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 -160:sc=-0.00795 (180deg=-0.449) USER MOD Set 1.2: A 54 THR OG1 : rot -160:sc= -0.0419 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 -82:sc= -0.483! USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot -110:sc= 0.0483 USER MOD Single : A 23 GLN : amide:sc= -4.17! C(o=-4.2!,f=-6.4!) USER MOD Single : A 35 THR OG1 : rot 141:sc= -4.84! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0842 USER MOD Single : A 69 TYR OH : rot -72:sc= 0.0513 USER MOD Single : A 74 THR OG1 : rot -38:sc= -6.37! USER MOD Single : A 79 THR OG1 : rot 37:sc= 0.997 USER MOD Single : A 84 HIS :FLIP no HE2:sc= -0.472 F(o=-1.2,f=-0.47) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.122 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 0.880 -0.274 0.313 1.00 1.12 N ATOM 2 CA ASP A 11 1.017 -0.059 -1.123 1.00 1.54 C ATOM 3 C ASP A 11 0.928 -1.379 -1.881 1.00 63.11 C ATOM 4 O ASP A 11 0.882 -1.398 -3.111 1.00 71.13 O ATOM 5 CB ASP A 11 2.346 0.633 -1.432 1.00 12.13 C ATOM 6 CG ASP A 11 2.263 1.526 -2.654 1.00 61.12 C ATOM 7 OD1 ASP A 11 1.249 1.448 -3.379 1.00 70.51 O ATOM 8 OD2 ASP A 11 3.212 2.304 -2.886 1.00 21.35 O ATOM 0 HA ASP A 11 0.198 0.582 -1.449 1.00 1.54 H new ATOM 0 HB2 ASP A 11 2.651 1.228 -0.571 1.00 12.13 H new ATOM 0 HB3 ASP A 11 3.117 -0.121 -1.588 1.00 12.13 H new ATOM 13 N TYR A 12 0.906 -2.481 -1.139 1.00 41.15 N ATOM 14 CA TYR A 12 0.827 -3.806 -1.742 1.00 34.30 C ATOM 15 C TYR A 12 -0.510 -4.003 -2.452 1.00 4.23 C ATOM 16 O TYR A 12 -0.578 -4.632 -3.508 1.00 23.03 O ATOM 17 CB TYR A 12 1.014 -4.886 -0.675 1.00 72.53 C ATOM 18 CG TYR A 12 2.333 -4.792 0.058 1.00 50.54 C ATOM 19 CD1 TYR A 12 3.524 -5.140 -0.568 1.00 31.54 C ATOM 20 CD2 TYR A 12 2.389 -4.354 1.375 1.00 14.00 C ATOM 21 CE1 TYR A 12 4.731 -5.056 0.098 1.00 25.11 C ATOM 22 CE2 TYR A 12 3.592 -4.265 2.048 1.00 73.01 C ATOM 23 CZ TYR A 12 4.760 -4.617 1.405 1.00 22.44 C ATOM 24 OH TYR A 12 5.961 -4.531 2.073 1.00 74.52 O ATOM 0 H TYR A 12 0.942 -2.483 -0.120 1.00 41.15 H new ATOM 0 HA TYR A 12 1.625 -3.890 -2.479 1.00 34.30 H new ATOM 0 HB2 TYR A 12 0.201 -4.816 0.047 1.00 72.53 H new ATOM 0 HB3 TYR A 12 0.939 -5.866 -1.145 1.00 72.53 H new ATOM 0 HD1 TYR A 12 3.505 -5.482 -1.592 1.00 31.54 H new ATOM 0 HD2 TYR A 12 1.476 -4.078 1.882 1.00 14.00 H new ATOM 0 HE1 TYR A 12 5.647 -5.333 -0.402 1.00 25.11 H new ATOM 0 HE2 TYR A 12 3.618 -3.922 3.072 1.00 73.01 H new ATOM 0 HH TYR A 12 5.806 -4.204 2.984 1.00 74.52 H new ATOM 34 N ASP A 13 -1.570 -3.459 -1.864 1.00 24.21 N ATOM 35 CA ASP A 13 -2.905 -3.572 -2.439 1.00 62.14 C ATOM 36 C ASP A 13 -2.988 -2.829 -3.769 1.00 11.21 C ATOM 37 O ASP A 13 -1.998 -2.718 -4.492 1.00 43.02 O ATOM 38 CB ASP A 13 -3.950 -3.023 -1.467 1.00 53.15 C ATOM 39 CG ASP A 13 -3.888 -1.513 -1.342 1.00 71.34 C ATOM 40 OD1 ASP A 13 -2.768 -0.961 -1.370 1.00 31.03 O ATOM 41 OD2 ASP A 13 -4.959 -0.884 -1.218 1.00 73.11 O ATOM 0 H ASP A 13 -1.530 -2.935 -0.990 1.00 24.21 H new ATOM 0 HA ASP A 13 -3.108 -4.627 -2.620 1.00 62.14 H new ATOM 0 HB2 ASP A 13 -4.944 -3.316 -1.804 1.00 53.15 H new ATOM 0 HB3 ASP A 13 -3.800 -3.472 -0.485 1.00 53.15 H new ATOM 46 N ILE A 14 -4.175 -2.323 -4.085 1.00 15.14 N ATOM 47 CA ILE A 14 -4.387 -1.591 -5.327 1.00 14.40 C ATOM 48 C ILE A 14 -3.749 -0.207 -5.265 1.00 63.35 C ATOM 49 O ILE A 14 -3.978 0.569 -4.338 1.00 11.02 O ATOM 50 CB ILE A 14 -5.887 -1.438 -5.641 1.00 53.44 C ATOM 51 CG1 ILE A 14 -6.702 -2.476 -4.867 1.00 64.11 C ATOM 52 CG2 ILE A 14 -6.131 -1.573 -7.137 1.00 34.00 C ATOM 53 CD1 ILE A 14 -8.105 -2.663 -5.399 1.00 51.14 C ATOM 0 H ILE A 14 -5.005 -2.407 -3.498 1.00 15.14 H new ATOM 0 HA ILE A 14 -3.915 -2.171 -6.120 1.00 14.40 H new ATOM 0 HB ILE A 14 -6.209 -0.445 -5.328 1.00 53.44 H new ATOM 0 HG12 ILE A 14 -6.180 -3.432 -4.898 1.00 64.11 H new ATOM 0 HG13 ILE A 14 -6.756 -2.176 -3.820 1.00 64.11 H new ATOM 0 HG21 ILE A 14 -7.196 -1.463 -7.343 1.00 34.00 H new ATOM 0 HG22 ILE A 14 -5.576 -0.799 -7.667 1.00 34.00 H new ATOM 0 HG23 ILE A 14 -5.796 -2.554 -7.473 1.00 34.00 H new ATOM 0 HD11 ILE A 14 -8.624 -3.413 -4.802 1.00 51.14 H new ATOM 0 HD12 ILE A 14 -8.645 -1.718 -5.342 1.00 51.14 H new ATOM 0 HD13 ILE A 14 -8.060 -2.993 -6.437 1.00 51.14 H new ATOM 65 N PRO A 15 -2.928 0.111 -6.278 1.00 14.22 N ATOM 66 CA PRO A 15 -2.241 1.403 -6.363 1.00 53.24 C ATOM 67 C PRO A 15 -3.201 2.553 -6.650 1.00 74.44 C ATOM 68 O PRO A 15 -2.794 3.712 -6.726 1.00 42.30 O ATOM 69 CB PRO A 15 -1.271 1.212 -7.532 1.00 12.30 C ATOM 70 CG PRO A 15 -1.894 0.150 -8.371 1.00 45.53 C ATOM 71 CD PRO A 15 -2.609 -0.765 -7.417 1.00 71.32 C ATOM 0 HA PRO A 15 -1.753 1.668 -5.425 1.00 53.24 H new ATOM 0 HB2 PRO A 15 -1.142 2.137 -8.095 1.00 12.30 H new ATOM 0 HB3 PRO A 15 -0.283 0.912 -7.182 1.00 12.30 H new ATOM 0 HG2 PRO A 15 -2.588 0.580 -9.093 1.00 45.53 H new ATOM 0 HG3 PRO A 15 -1.138 -0.392 -8.939 1.00 45.53 H new ATOM 0 HD2 PRO A 15 -3.509 -1.187 -7.864 1.00 71.32 H new ATOM 0 HD3 PRO A 15 -1.980 -1.603 -7.116 1.00 71.32 H new ATOM 79 N THR A 16 -4.480 2.224 -6.809 1.00 42.24 N ATOM 80 CA THR A 16 -5.498 3.229 -7.089 1.00 20.22 C ATOM 81 C THR A 16 -6.726 3.026 -6.209 1.00 53.22 C ATOM 82 O THR A 16 -7.860 3.202 -6.657 1.00 10.41 O ATOM 83 CB THR A 16 -5.928 3.196 -8.567 1.00 54.44 C ATOM 84 OG1 THR A 16 -4.951 2.498 -9.347 1.00 32.10 O ATOM 85 CG2 THR A 16 -6.105 4.606 -9.111 1.00 3.32 C ATOM 0 H THR A 16 -4.835 1.270 -6.749 1.00 42.24 H new ATOM 0 HA THR A 16 -5.053 4.200 -6.870 1.00 20.22 H new ATOM 0 HB THR A 16 -6.883 2.675 -8.632 1.00 54.44 H new ATOM 0 HG1 THR A 16 -5.233 2.480 -10.285 1.00 32.10 H new ATOM 0 HG21 THR A 16 -6.409 4.557 -10.157 1.00 3.32 H new ATOM 0 HG22 THR A 16 -6.871 5.125 -8.534 1.00 3.32 H new ATOM 0 HG23 THR A 16 -5.162 5.147 -9.032 1.00 3.32 H new ATOM 93 N THR A 17 -6.495 2.655 -4.954 1.00 1.24 N ATOM 94 CA THR A 17 -7.583 2.428 -4.011 1.00 2.11 C ATOM 95 C THR A 17 -8.215 3.744 -3.573 1.00 5.51 C ATOM 96 O THR A 17 -7.946 4.795 -4.154 1.00 4.44 O ATOM 97 CB THR A 17 -7.096 1.666 -2.764 1.00 61.42 C ATOM 98 OG1 THR A 17 -5.701 1.911 -2.553 1.00 40.25 O ATOM 99 CG2 THR A 17 -7.336 0.171 -2.916 1.00 44.11 C ATOM 0 H THR A 17 -5.563 2.505 -4.567 1.00 1.24 H new ATOM 0 HA THR A 17 -8.329 1.825 -4.529 1.00 2.11 H new ATOM 0 HB THR A 17 -7.661 2.024 -1.903 1.00 61.42 H new ATOM 0 HG1 THR A 17 -5.174 1.314 -3.124 1.00 40.25 H new ATOM 0 HG21 THR A 17 -6.984 -0.347 -2.024 1.00 44.11 H new ATOM 0 HG22 THR A 17 -8.402 -0.015 -3.047 1.00 44.11 H new ATOM 0 HG23 THR A 17 -6.794 -0.198 -3.787 1.00 44.11 H new ATOM 107 N GLU A 18 -9.055 3.679 -2.545 1.00 2.23 N ATOM 108 CA GLU A 18 -9.724 4.868 -2.030 1.00 35.22 C ATOM 109 C GLU A 18 -8.745 5.758 -1.270 1.00 33.34 C ATOM 110 O GLU A 18 -7.981 6.512 -1.870 1.00 61.40 O ATOM 111 CB GLU A 18 -10.885 4.470 -1.115 1.00 51.43 C ATOM 112 CG GLU A 18 -12.075 3.888 -1.860 1.00 24.42 C ATOM 113 CD GLU A 18 -13.086 4.944 -2.261 1.00 70.31 C ATOM 114 OE1 GLU A 18 -12.728 6.140 -2.254 1.00 0.20 O ATOM 115 OE2 GLU A 18 -14.235 4.574 -2.582 1.00 2.31 O ATOM 0 H GLU A 18 -9.288 2.817 -2.053 1.00 2.23 H new ATOM 0 HA GLU A 18 -10.115 5.430 -2.878 1.00 35.22 H new ATOM 0 HB2 GLU A 18 -10.530 3.740 -0.388 1.00 51.43 H new ATOM 0 HB3 GLU A 18 -11.211 5.346 -0.554 1.00 51.43 H new ATOM 0 HG2 GLU A 18 -11.722 3.371 -2.752 1.00 24.42 H new ATOM 0 HG3 GLU A 18 -12.563 3.143 -1.232 1.00 24.42 H new ATOM 122 N ASN A 19 -8.776 5.664 0.056 1.00 61.32 N ATOM 123 CA ASN A 19 -7.892 6.461 0.899 1.00 33.41 C ATOM 124 C ASN A 19 -6.680 5.646 1.340 1.00 72.30 C ATOM 125 O ASN A 19 -5.893 6.087 2.178 1.00 45.54 O ATOM 126 CB ASN A 19 -8.650 6.973 2.126 1.00 44.53 C ATOM 127 CG ASN A 19 -9.033 8.435 1.999 1.00 54.12 C ATOM 128 OD1 ASN A 19 -9.606 8.853 0.992 1.00 33.23 O ATOM 129 ND2 ASN A 19 -8.718 9.220 3.022 1.00 11.52 N ATOM 0 H ASN A 19 -9.403 5.044 0.569 1.00 61.32 H new ATOM 0 HA ASN A 19 -7.542 7.312 0.314 1.00 33.41 H new ATOM 0 HB2 ASN A 19 -9.550 6.375 2.269 1.00 44.53 H new ATOM 0 HB3 ASN A 19 -8.033 6.838 3.014 1.00 44.53 H new ATOM 0 HD21 ASN A 19 -8.951 10.213 2.994 1.00 11.52 H new ATOM 0 HD22 ASN A 19 -8.243 8.831 3.836 1.00 11.52 H new ATOM 136 N LEU A 20 -6.536 4.454 0.770 1.00 14.33 N ATOM 137 CA LEU A 20 -5.420 3.577 1.103 1.00 23.34 C ATOM 138 C LEU A 20 -4.116 4.109 0.518 1.00 64.22 C ATOM 139 O LEU A 20 -3.034 3.610 0.829 1.00 30.44 O ATOM 140 CB LEU A 20 -5.685 2.162 0.585 1.00 1.13 C ATOM 141 CG LEU A 20 -6.745 1.359 1.340 1.00 61.22 C ATOM 142 CD1 LEU A 20 -7.660 2.286 2.124 1.00 4.53 C ATOM 143 CD2 LEU A 20 -7.551 0.502 0.375 1.00 35.21 C ATOM 0 H LEU A 20 -7.178 4.073 0.075 1.00 14.33 H new ATOM 0 HA LEU A 20 -5.325 3.548 2.188 1.00 23.34 H new ATOM 0 HB2 LEU A 20 -5.985 2.230 -0.461 1.00 1.13 H new ATOM 0 HB3 LEU A 20 -4.748 1.605 0.612 1.00 1.13 H new ATOM 0 HG LEU A 20 -6.240 0.700 2.046 1.00 61.22 H new ATOM 0 HD11 LEU A 20 -8.408 1.696 2.654 1.00 4.53 H new ATOM 0 HD12 LEU A 20 -7.071 2.856 2.842 1.00 4.53 H new ATOM 0 HD13 LEU A 20 -8.158 2.971 1.438 1.00 4.53 H new ATOM 0 HD21 LEU A 20 -8.301 -0.063 0.929 1.00 35.21 H new ATOM 0 HD22 LEU A 20 -8.046 1.143 -0.355 1.00 35.21 H new ATOM 0 HD23 LEU A 20 -6.885 -0.189 -0.142 1.00 35.21 H new ATOM 155 N TYR A 21 -4.225 5.125 -0.330 1.00 13.50 N ATOM 156 CA TYR A 21 -3.055 5.726 -0.959 1.00 60.54 C ATOM 157 C TYR A 21 -2.505 6.868 -0.110 1.00 73.33 C ATOM 158 O TYR A 21 -1.429 7.399 -0.385 1.00 22.43 O ATOM 159 CB TYR A 21 -3.408 6.238 -2.357 1.00 22.03 C ATOM 160 CG TYR A 21 -3.868 7.678 -2.375 1.00 52.12 C ATOM 161 CD1 TYR A 21 -2.950 8.721 -2.411 1.00 74.21 C ATOM 162 CD2 TYR A 21 -5.220 7.996 -2.356 1.00 14.23 C ATOM 163 CE1 TYR A 21 -3.366 10.038 -2.427 1.00 52.14 C ATOM 164 CE2 TYR A 21 -5.645 9.310 -2.373 1.00 53.53 C ATOM 165 CZ TYR A 21 -4.715 10.328 -2.409 1.00 24.21 C ATOM 166 OH TYR A 21 -5.134 11.638 -2.425 1.00 42.41 O ATOM 0 H TYR A 21 -5.113 5.550 -0.598 1.00 13.50 H new ATOM 0 HA TYR A 21 -2.286 4.959 -1.044 1.00 60.54 H new ATOM 0 HB2 TYR A 21 -2.536 6.136 -3.003 1.00 22.03 H new ATOM 0 HB3 TYR A 21 -4.193 5.609 -2.778 1.00 22.03 H new ATOM 0 HD1 TYR A 21 -1.893 8.498 -2.427 1.00 74.21 H new ATOM 0 HD2 TYR A 21 -5.952 7.202 -2.327 1.00 14.23 H new ATOM 0 HE1 TYR A 21 -2.639 10.837 -2.453 1.00 52.14 H new ATOM 0 HE2 TYR A 21 -6.700 9.539 -2.358 1.00 53.53 H new ATOM 0 HH TYR A 21 -5.519 11.869 -1.554 1.00 42.41 H new ATOM 176 N PHE A 22 -3.253 7.241 0.923 1.00 22.32 N ATOM 177 CA PHE A 22 -2.842 8.320 1.814 1.00 52.03 C ATOM 178 C PHE A 22 -1.718 7.863 2.739 1.00 14.55 C ATOM 179 O PHE A 22 -0.633 8.444 2.747 1.00 33.14 O ATOM 180 CB PHE A 22 -4.033 8.808 2.641 1.00 52.21 C ATOM 181 CG PHE A 22 -4.592 10.120 2.170 1.00 14.43 C ATOM 182 CD1 PHE A 22 -3.989 11.315 2.529 1.00 24.44 C ATOM 183 CD2 PHE A 22 -5.722 10.160 1.369 1.00 33.52 C ATOM 184 CE1 PHE A 22 -4.500 12.524 2.098 1.00 74.23 C ATOM 185 CE2 PHE A 22 -6.238 11.366 0.934 1.00 33.42 C ATOM 186 CZ PHE A 22 -5.627 12.549 1.300 1.00 54.21 C ATOM 0 H PHE A 22 -4.147 6.812 1.164 1.00 22.32 H new ATOM 0 HA PHE A 22 -2.472 9.143 1.202 1.00 52.03 H new ATOM 0 HB2 PHE A 22 -4.820 8.055 2.610 1.00 52.21 H new ATOM 0 HB3 PHE A 22 -3.726 8.906 3.682 1.00 52.21 H new ATOM 0 HD1 PHE A 22 -3.108 11.301 3.154 1.00 24.44 H new ATOM 0 HD2 PHE A 22 -6.205 9.238 1.081 1.00 33.52 H new ATOM 0 HE1 PHE A 22 -4.019 13.448 2.384 1.00 74.23 H new ATOM 0 HE2 PHE A 22 -7.118 11.383 0.308 1.00 33.42 H new ATOM 0 HZ PHE A 22 -6.030 13.493 0.963 1.00 54.21 H new ATOM 196 N GLN A 23 -1.988 6.821 3.518 1.00 71.40 N ATOM 197 CA GLN A 23 -1.001 6.287 4.449 1.00 65.15 C ATOM 198 C GLN A 23 0.183 5.683 3.699 1.00 13.04 C ATOM 199 O GLN A 23 1.336 5.880 4.079 1.00 64.14 O ATOM 200 CB GLN A 23 -1.639 5.231 5.353 1.00 11.50 C ATOM 201 CG GLN A 23 -2.997 5.641 5.901 1.00 24.21 C ATOM 202 CD GLN A 23 -4.141 4.896 5.242 1.00 42.32 C ATOM 203 OE1 GLN A 23 -3.994 3.743 4.835 1.00 11.34 O ATOM 204 NE2 GLN A 23 -5.290 5.553 5.132 1.00 3.12 N ATOM 0 H GLN A 23 -2.882 6.330 3.523 1.00 71.40 H new ATOM 0 HA GLN A 23 -0.637 7.110 5.065 1.00 65.15 H new ATOM 0 HB2 GLN A 23 -1.748 4.302 4.793 1.00 11.50 H new ATOM 0 HB3 GLN A 23 -0.967 5.024 6.186 1.00 11.50 H new ATOM 0 HG2 GLN A 23 -3.021 5.459 6.975 1.00 24.21 H new ATOM 0 HG3 GLN A 23 -3.135 6.712 5.756 1.00 24.21 H new ATOM 0 HE21 GLN A 23 -5.367 6.508 5.483 1.00 3.12 H new ATOM 0 HE22 GLN A 23 -6.095 5.103 4.696 1.00 3.12 H new ATOM 213 N GLY A 24 -0.112 4.946 2.633 1.00 71.32 N ATOM 214 CA GLY A 24 0.938 4.324 1.848 1.00 60.24 C ATOM 215 C GLY A 24 2.093 5.267 1.574 1.00 20.41 C ATOM 216 O GLY A 24 3.241 4.837 1.463 1.00 32.11 O ATOM 0 H GLY A 24 -1.059 4.769 2.299 1.00 71.32 H new ATOM 0 HA2 GLY A 24 1.308 3.444 2.374 1.00 60.24 H new ATOM 0 HA3 GLY A 24 0.523 3.978 0.901 1.00 60.24 H new ATOM 220 N ALA A 25 1.789 6.556 1.463 1.00 21.43 N ATOM 221 CA ALA A 25 2.811 7.562 1.201 1.00 31.52 C ATOM 222 C ALA A 25 3.954 7.457 2.205 1.00 42.32 C ATOM 223 O ALA A 25 5.050 7.010 1.867 1.00 32.13 O ATOM 224 CB ALA A 25 2.201 8.955 1.236 1.00 32.00 C ATOM 0 H ALA A 25 0.843 6.928 1.550 1.00 21.43 H new ATOM 0 HA ALA A 25 3.218 7.381 0.206 1.00 31.52 H new ATOM 0 HB1 ALA A 25 2.975 9.696 1.039 1.00 32.00 H new ATOM 0 HB2 ALA A 25 1.424 9.031 0.476 1.00 32.00 H new ATOM 0 HB3 ALA A 25 1.766 9.137 2.219 1.00 32.00 H new ATOM 230 N MET A 26 3.692 7.874 3.439 1.00 34.33 N ATOM 231 CA MET A 26 4.700 7.826 4.492 1.00 14.30 C ATOM 232 C MET A 26 4.981 6.387 4.911 1.00 71.32 C ATOM 233 O MET A 26 5.894 6.125 5.694 1.00 53.44 O ATOM 234 CB MET A 26 4.242 8.642 5.703 1.00 61.21 C ATOM 235 CG MET A 26 3.236 7.915 6.580 1.00 74.10 C ATOM 236 SD MET A 26 2.013 9.026 7.301 1.00 14.33 S ATOM 237 CE MET A 26 3.072 10.303 7.976 1.00 51.41 C ATOM 0 H MET A 26 2.791 8.249 3.735 1.00 34.33 H new ATOM 0 HA MET A 26 5.621 8.257 4.099 1.00 14.30 H new ATOM 0 HB2 MET A 26 5.113 8.905 6.304 1.00 61.21 H new ATOM 0 HB3 MET A 26 3.801 9.576 5.356 1.00 61.21 H new ATOM 0 HG2 MET A 26 2.726 7.155 5.988 1.00 74.10 H new ATOM 0 HG3 MET A 26 3.765 7.395 7.379 1.00 74.10 H new ATOM 0 HE1 MET A 26 2.529 10.860 8.740 1.00 51.41 H new ATOM 0 HE2 MET A 26 3.956 9.845 8.420 1.00 51.41 H new ATOM 0 HE3 MET A 26 3.376 10.982 7.180 1.00 51.41 H new ATOM 247 N ALA A 27 4.191 5.457 4.384 1.00 34.25 N ATOM 248 CA ALA A 27 4.356 4.044 4.703 1.00 43.13 C ATOM 249 C ALA A 27 5.688 3.516 4.180 1.00 52.04 C ATOM 250 O ALA A 27 6.423 2.838 4.897 1.00 22.22 O ATOM 251 CB ALA A 27 3.203 3.235 4.128 1.00 20.23 C ATOM 0 H ALA A 27 3.430 5.657 3.734 1.00 34.25 H new ATOM 0 HA ALA A 27 4.353 3.939 5.788 1.00 43.13 H new ATOM 0 HB1 ALA A 27 3.339 2.182 4.374 1.00 20.23 H new ATOM 0 HB2 ALA A 27 2.263 3.588 4.553 1.00 20.23 H new ATOM 0 HB3 ALA A 27 3.179 3.355 3.045 1.00 20.23 H new ATOM 257 N PHE A 28 5.992 3.831 2.925 1.00 71.52 N ATOM 258 CA PHE A 28 7.235 3.386 2.305 1.00 73.01 C ATOM 259 C PHE A 28 8.394 4.298 2.695 1.00 11.32 C ATOM 260 O PHE A 28 9.506 4.158 2.187 1.00 44.53 O ATOM 261 CB PHE A 28 7.087 3.353 0.782 1.00 12.43 C ATOM 262 CG PHE A 28 6.739 4.687 0.185 1.00 0.02 C ATOM 263 CD1 PHE A 28 7.673 5.710 0.149 1.00 21.24 C ATOM 264 CD2 PHE A 28 5.478 4.918 -0.340 1.00 12.01 C ATOM 265 CE1 PHE A 28 7.356 6.938 -0.400 1.00 4.13 C ATOM 266 CE2 PHE A 28 5.156 6.144 -0.891 1.00 34.03 C ATOM 267 CZ PHE A 28 6.096 7.156 -0.919 1.00 75.45 C ATOM 0 H PHE A 28 5.395 4.392 2.318 1.00 71.52 H new ATOM 0 HA PHE A 28 7.451 2.380 2.664 1.00 73.01 H new ATOM 0 HB2 PHE A 28 8.019 2.999 0.342 1.00 12.43 H new ATOM 0 HB3 PHE A 28 6.314 2.632 0.515 1.00 12.43 H new ATOM 0 HD1 PHE A 28 8.660 5.546 0.555 1.00 21.24 H new ATOM 0 HD2 PHE A 28 4.738 4.131 -0.319 1.00 12.01 H new ATOM 0 HE1 PHE A 28 8.094 7.726 -0.423 1.00 4.13 H new ATOM 0 HE2 PHE A 28 4.170 6.311 -1.299 1.00 34.03 H new ATOM 0 HZ PHE A 28 5.845 8.116 -1.346 1.00 75.45 H new ATOM 277 N ASP A 29 8.125 5.232 3.600 1.00 15.54 N ATOM 278 CA ASP A 29 9.144 6.168 4.060 1.00 1.31 C ATOM 279 C ASP A 29 10.161 5.467 4.955 1.00 44.11 C ATOM 280 O ASP A 29 11.322 5.301 4.581 1.00 74.40 O ATOM 281 CB ASP A 29 8.497 7.330 4.816 1.00 40.03 C ATOM 282 CG ASP A 29 9.463 8.473 5.058 1.00 63.12 C ATOM 283 OD1 ASP A 29 10.643 8.345 4.668 1.00 34.11 O ATOM 284 OD2 ASP A 29 9.040 9.495 5.638 1.00 44.11 O ATOM 0 H ASP A 29 7.209 5.361 4.030 1.00 15.54 H new ATOM 0 HA ASP A 29 9.664 6.559 3.185 1.00 1.31 H new ATOM 0 HB2 ASP A 29 7.640 7.696 4.250 1.00 40.03 H new ATOM 0 HB3 ASP A 29 8.117 6.971 5.772 1.00 40.03 H new ATOM 289 N GLY A 30 9.718 5.059 6.140 1.00 72.41 N ATOM 290 CA GLY A 30 10.602 4.381 7.070 1.00 3.40 C ATOM 291 C GLY A 30 9.908 3.262 7.820 1.00 12.44 C ATOM 292 O GLY A 30 10.465 2.699 8.762 1.00 40.21 O ATOM 0 H GLY A 30 8.762 5.186 6.473 1.00 72.41 H new ATOM 0 HA2 GLY A 30 11.454 3.975 6.525 1.00 3.40 H new ATOM 0 HA3 GLY A 30 10.995 5.104 7.785 1.00 3.40 H new ATOM 296 N GLU A 31 8.687 2.941 7.404 1.00 61.14 N ATOM 297 CA GLU A 31 7.915 1.883 8.045 1.00 3.25 C ATOM 298 C GLU A 31 8.373 0.508 7.566 1.00 11.54 C ATOM 299 O GLU A 31 9.253 0.398 6.713 1.00 42.10 O ATOM 300 CB GLU A 31 6.423 2.065 7.759 1.00 22.42 C ATOM 301 CG GLU A 31 5.988 3.519 7.698 1.00 74.01 C ATOM 302 CD GLU A 31 6.321 4.282 8.965 1.00 22.22 C ATOM 303 OE1 GLU A 31 7.523 4.468 9.247 1.00 22.04 O ATOM 304 OE2 GLU A 31 5.379 4.693 9.675 1.00 61.12 O ATOM 0 H GLU A 31 8.211 3.398 6.626 1.00 61.14 H new ATOM 0 HA GLU A 31 8.082 1.947 9.120 1.00 3.25 H new ATOM 0 HB2 GLU A 31 6.182 1.582 6.812 1.00 22.42 H new ATOM 0 HB3 GLU A 31 5.849 1.555 8.532 1.00 22.42 H new ATOM 0 HG2 GLU A 31 6.471 4.003 6.849 1.00 74.01 H new ATOM 0 HG3 GLU A 31 4.913 3.566 7.522 1.00 74.01 H new ATOM 311 N ASP A 32 7.769 -0.536 8.122 1.00 22.13 N ATOM 312 CA ASP A 32 8.113 -1.904 7.752 1.00 23.15 C ATOM 313 C ASP A 32 6.860 -2.710 7.425 1.00 42.05 C ATOM 314 O ASP A 32 5.771 -2.153 7.288 1.00 25.20 O ATOM 315 CB ASP A 32 8.889 -2.581 8.884 1.00 73.33 C ATOM 316 CG ASP A 32 10.114 -3.321 8.384 1.00 71.12 C ATOM 317 OD1 ASP A 32 10.786 -2.804 7.467 1.00 75.21 O ATOM 318 OD2 ASP A 32 10.401 -4.418 8.909 1.00 53.51 O ATOM 0 H ASP A 32 7.039 -0.461 8.830 1.00 22.13 H new ATOM 0 HA ASP A 32 8.741 -1.867 6.862 1.00 23.15 H new ATOM 0 HB2 ASP A 32 9.194 -1.829 9.612 1.00 73.33 H new ATOM 0 HB3 ASP A 32 8.233 -3.280 9.403 1.00 73.33 H new ATOM 323 N GLU A 33 7.023 -4.023 7.299 1.00 64.33 N ATOM 324 CA GLU A 33 5.905 -4.905 6.985 1.00 51.33 C ATOM 325 C GLU A 33 5.536 -5.766 8.189 1.00 24.21 C ATOM 326 O GLU A 33 6.355 -6.539 8.687 1.00 33.51 O ATOM 327 CB GLU A 33 6.250 -5.798 5.791 1.00 1.13 C ATOM 328 CG GLU A 33 7.473 -6.671 6.018 1.00 33.11 C ATOM 329 CD GLU A 33 8.373 -6.742 4.800 1.00 72.42 C ATOM 330 OE1 GLU A 33 8.564 -5.699 4.140 1.00 35.45 O ATOM 331 OE2 GLU A 33 8.887 -7.842 4.506 1.00 32.24 O ATOM 0 H GLU A 33 7.918 -4.499 7.409 1.00 64.33 H new ATOM 0 HA GLU A 33 5.047 -4.284 6.728 1.00 51.33 H new ATOM 0 HB2 GLU A 33 5.395 -6.436 5.566 1.00 1.13 H new ATOM 0 HB3 GLU A 33 6.419 -5.171 4.916 1.00 1.13 H new ATOM 0 HG2 GLU A 33 8.041 -6.281 6.863 1.00 33.11 H new ATOM 0 HG3 GLU A 33 7.152 -7.677 6.287 1.00 33.11 H new ATOM 338 N VAL A 34 4.298 -5.626 8.653 1.00 65.32 N ATOM 339 CA VAL A 34 3.820 -6.391 9.798 1.00 21.31 C ATOM 340 C VAL A 34 3.583 -7.850 9.424 1.00 25.34 C ATOM 341 O VAL A 34 4.393 -8.464 8.728 1.00 55.04 O ATOM 342 CB VAL A 34 2.515 -5.799 10.363 1.00 61.31 C ATOM 343 CG1 VAL A 34 2.321 -6.220 11.812 1.00 71.13 C ATOM 344 CG2 VAL A 34 2.519 -4.283 10.235 1.00 22.53 C ATOM 0 H VAL A 34 3.608 -4.990 8.253 1.00 65.32 H new ATOM 0 HA VAL A 34 4.596 -6.336 10.562 1.00 21.31 H new ATOM 0 HB VAL A 34 1.678 -6.187 9.782 1.00 61.31 H new ATOM 0 HG11 VAL A 34 1.394 -5.792 12.194 1.00 71.13 H new ATOM 0 HG12 VAL A 34 2.271 -7.307 11.871 1.00 71.13 H new ATOM 0 HG13 VAL A 34 3.159 -5.862 12.410 1.00 71.13 H new ATOM 0 HG21 VAL A 34 1.590 -3.881 10.639 1.00 22.53 H new ATOM 0 HG22 VAL A 34 3.363 -3.873 10.790 1.00 22.53 H new ATOM 0 HG23 VAL A 34 2.607 -4.007 9.184 1.00 22.53 H new ATOM 354 N THR A 35 2.468 -8.402 9.892 1.00 52.11 N ATOM 355 CA THR A 35 2.124 -9.789 9.608 1.00 71.32 C ATOM 356 C THR A 35 0.648 -9.928 9.251 1.00 23.24 C ATOM 357 O THR A 35 0.295 -10.585 8.273 1.00 41.43 O ATOM 358 CB THR A 35 2.439 -10.703 10.807 1.00 31.12 C ATOM 359 OG1 THR A 35 1.625 -10.338 11.928 1.00 63.43 O ATOM 360 CG2 THR A 35 3.908 -10.608 11.189 1.00 64.14 C ATOM 0 H THR A 35 1.787 -7.909 10.470 1.00 52.11 H new ATOM 0 HA THR A 35 2.731 -10.097 8.757 1.00 71.32 H new ATOM 0 HB THR A 35 2.221 -11.731 10.519 1.00 31.12 H new ATOM 0 HG1 THR A 35 1.333 -11.147 12.397 1.00 63.43 H new ATOM 0 HG21 THR A 35 4.106 -11.262 12.038 1.00 64.14 H new ATOM 0 HG22 THR A 35 4.524 -10.914 10.344 1.00 64.14 H new ATOM 0 HG23 THR A 35 4.148 -9.580 11.460 1.00 64.14 H new ATOM 368 N GLY A 36 -0.211 -9.305 10.052 1.00 4.34 N ATOM 369 CA GLY A 36 -1.639 -9.371 9.804 1.00 61.01 C ATOM 370 C GLY A 36 -2.457 -8.966 11.014 1.00 53.02 C ATOM 371 O GLY A 36 -3.222 -8.002 10.978 1.00 13.00 O ATOM 0 H GLY A 36 0.057 -8.756 10.869 1.00 4.34 H new ATOM 0 HA2 GLY A 36 -1.889 -8.721 8.966 1.00 61.01 H new ATOM 0 HA3 GLY A 36 -1.907 -10.386 9.511 1.00 61.01 H new ATOM 375 N PRO A 37 -2.302 -9.714 12.116 1.00 64.51 N ATOM 376 CA PRO A 37 -3.025 -9.448 13.363 1.00 51.24 C ATOM 377 C PRO A 37 -2.552 -8.169 14.045 1.00 23.14 C ATOM 378 O PRO A 37 -1.446 -7.692 13.792 1.00 44.21 O ATOM 379 CB PRO A 37 -2.701 -10.668 14.229 1.00 53.24 C ATOM 380 CG PRO A 37 -1.400 -11.169 13.705 1.00 4.03 C ATOM 381 CD PRO A 37 -1.407 -10.878 12.230 1.00 61.51 C ATOM 0 HA PRO A 37 -4.092 -9.301 13.193 1.00 51.24 H new ATOM 0 HB2 PRO A 37 -2.626 -10.397 15.282 1.00 53.24 H new ATOM 0 HB3 PRO A 37 -3.479 -11.428 14.150 1.00 53.24 H new ATOM 0 HG2 PRO A 37 -0.564 -10.672 14.197 1.00 4.03 H new ATOM 0 HG3 PRO A 37 -1.290 -12.237 13.891 1.00 4.03 H new ATOM 0 HD2 PRO A 37 -0.407 -10.653 11.860 1.00 61.51 H new ATOM 0 HD3 PRO A 37 -1.777 -11.727 11.655 1.00 61.51 H new ATOM 389 N ASP A 38 -3.395 -7.620 14.912 1.00 54.31 N ATOM 390 CA ASP A 38 -3.062 -6.396 15.633 1.00 73.52 C ATOM 391 C ASP A 38 -1.881 -6.623 16.572 1.00 74.55 C ATOM 392 O ASP A 38 -1.149 -5.691 16.900 1.00 11.23 O ATOM 393 CB ASP A 38 -4.272 -5.901 16.426 1.00 54.10 C ATOM 394 CG ASP A 38 -4.577 -6.777 17.625 1.00 72.41 C ATOM 395 OD1 ASP A 38 -3.827 -6.702 18.620 1.00 20.31 O ATOM 396 OD2 ASP A 38 -5.565 -7.539 17.568 1.00 75.14 O ATOM 0 H ASP A 38 -4.314 -8.003 15.133 1.00 54.31 H new ATOM 0 HA ASP A 38 -2.782 -5.638 14.902 1.00 73.52 H new ATOM 0 HB2 ASP A 38 -4.089 -4.881 16.763 1.00 54.10 H new ATOM 0 HB3 ASP A 38 -5.143 -5.870 15.772 1.00 54.10 H new ATOM 401 N ALA A 39 -1.704 -7.869 17.000 1.00 4.21 N ATOM 402 CA ALA A 39 -0.612 -8.218 17.900 1.00 23.42 C ATOM 403 C ALA A 39 0.737 -7.835 17.302 1.00 43.34 C ATOM 404 O ALA A 39 1.630 -7.365 18.008 1.00 74.00 O ATOM 405 CB ALA A 39 -0.646 -9.706 18.219 1.00 40.22 C ATOM 0 H ALA A 39 -2.302 -8.653 16.738 1.00 4.21 H new ATOM 0 HA ALA A 39 -0.743 -7.656 18.824 1.00 23.42 H new ATOM 0 HB1 ALA A 39 0.175 -9.953 18.892 1.00 40.22 H new ATOM 0 HB2 ALA A 39 -1.594 -9.954 18.697 1.00 40.22 H new ATOM 0 HB3 ALA A 39 -0.544 -10.278 17.297 1.00 40.22 H new ATOM 411 N ASP A 40 0.880 -8.038 15.997 1.00 75.34 N ATOM 412 CA ASP A 40 2.120 -7.713 15.303 1.00 63.13 C ATOM 413 C ASP A 40 2.134 -6.250 14.871 1.00 70.13 C ATOM 414 O ASP A 40 3.162 -5.577 14.955 1.00 35.32 O ATOM 415 CB ASP A 40 2.301 -8.619 14.084 1.00 33.40 C ATOM 416 CG ASP A 40 2.514 -10.070 14.468 1.00 30.41 C ATOM 417 OD1 ASP A 40 1.575 -10.682 15.018 1.00 74.54 O ATOM 418 OD2 ASP A 40 3.621 -10.594 14.220 1.00 13.20 O ATOM 0 H ASP A 40 0.151 -8.427 15.398 1.00 75.34 H new ATOM 0 HA ASP A 40 2.947 -7.877 15.994 1.00 63.13 H new ATOM 0 HB2 ASP A 40 1.423 -8.541 13.443 1.00 33.40 H new ATOM 0 HB3 ASP A 40 3.153 -8.272 13.500 1.00 33.40 H new ATOM 423 N ARG A 41 0.987 -5.765 14.407 1.00 41.33 N ATOM 424 CA ARG A 41 0.868 -4.382 13.959 1.00 31.31 C ATOM 425 C ARG A 41 0.997 -3.417 15.134 1.00 31.41 C ATOM 426 O ARG A 41 1.607 -2.356 15.014 1.00 40.51 O ATOM 427 CB ARG A 41 -0.472 -4.166 13.253 1.00 64.34 C ATOM 428 CG ARG A 41 -1.542 -3.565 14.148 1.00 15.10 C ATOM 429 CD ARG A 41 -2.901 -3.561 13.466 1.00 54.54 C ATOM 430 NE ARG A 41 -3.998 -3.518 14.429 1.00 2.44 N ATOM 431 CZ ARG A 41 -5.223 -3.959 14.169 1.00 71.23 C ATOM 432 NH1 ARG A 41 -5.507 -4.475 12.981 1.00 42.34 N ATOM 433 NH2 ARG A 41 -6.168 -3.886 15.098 1.00 63.11 N ATOM 0 H ARG A 41 0.127 -6.309 14.331 1.00 41.33 H new ATOM 0 HA ARG A 41 1.678 -4.183 13.257 1.00 31.31 H new ATOM 0 HB2 ARG A 41 -0.319 -3.512 12.394 1.00 64.34 H new ATOM 0 HB3 ARG A 41 -0.828 -5.121 12.867 1.00 64.34 H new ATOM 0 HG2 ARG A 41 -1.602 -4.132 15.077 1.00 15.10 H new ATOM 0 HG3 ARG A 41 -1.264 -2.545 14.414 1.00 15.10 H new ATOM 0 HD2 ARG A 41 -2.970 -2.701 12.800 1.00 54.54 H new ATOM 0 HD3 ARG A 41 -2.998 -4.452 12.846 1.00 54.54 H new ATOM 0 HE ARG A 41 -3.813 -3.127 15.353 1.00 2.44 H new ATOM 0 HH11 ARG A 41 -4.784 -4.534 12.264 1.00 42.34 H new ATOM 0 HH12 ARG A 41 -6.449 -4.813 12.784 1.00 42.34 H new ATOM 0 HH21 ARG A 41 -5.954 -3.491 16.013 1.00 63.11 H new ATOM 0 HH22 ARG A 41 -7.109 -4.225 14.896 1.00 63.11 H new ATOM 447 N ALA A 42 0.418 -3.795 16.269 1.00 15.51 N ATOM 448 CA ALA A 42 0.469 -2.964 17.466 1.00 52.12 C ATOM 449 C ALA A 42 1.886 -2.893 18.024 1.00 0.42 C ATOM 450 O ALA A 42 2.306 -1.861 18.548 1.00 52.40 O ATOM 451 CB ALA A 42 -0.490 -3.497 18.520 1.00 22.31 C ATOM 0 H ALA A 42 -0.092 -4.671 16.385 1.00 15.51 H new ATOM 0 HA ALA A 42 0.164 -1.954 17.191 1.00 52.12 H new ATOM 0 HB1 ALA A 42 -0.441 -2.867 19.408 1.00 22.31 H new ATOM 0 HB2 ALA A 42 -1.506 -3.489 18.125 1.00 22.31 H new ATOM 0 HB3 ALA A 42 -0.211 -4.517 18.783 1.00 22.31 H new ATOM 457 N ARG A 43 2.618 -3.996 17.910 1.00 44.34 N ATOM 458 CA ARG A 43 3.988 -4.058 18.405 1.00 21.31 C ATOM 459 C ARG A 43 4.959 -3.450 17.397 1.00 1.15 C ATOM 460 O ARG A 43 5.894 -2.742 17.771 1.00 61.41 O ATOM 461 CB ARG A 43 4.381 -5.507 18.698 1.00 64.43 C ATOM 462 CG ARG A 43 5.060 -6.202 17.528 1.00 20.25 C ATOM 463 CD ARG A 43 5.154 -7.704 17.751 1.00 51.40 C ATOM 464 NE ARG A 43 6.522 -8.193 17.609 1.00 64.41 N ATOM 465 CZ ARG A 43 7.124 -8.365 16.437 1.00 53.21 C ATOM 466 NH1 ARG A 43 6.481 -8.087 15.311 1.00 14.12 N ATOM 467 NH2 ARG A 43 8.371 -8.814 16.389 1.00 22.53 N ATOM 0 H ARG A 43 2.286 -4.859 17.479 1.00 44.34 H new ATOM 0 HA ARG A 43 4.041 -3.480 19.328 1.00 21.31 H new ATOM 0 HB2 ARG A 43 5.049 -5.526 19.559 1.00 64.43 H new ATOM 0 HB3 ARG A 43 3.488 -6.068 18.975 1.00 64.43 H new ATOM 0 HG2 ARG A 43 4.503 -6.003 16.612 1.00 20.25 H new ATOM 0 HG3 ARG A 43 6.060 -5.790 17.389 1.00 20.25 H new ATOM 0 HD2 ARG A 43 4.784 -7.947 18.747 1.00 51.40 H new ATOM 0 HD3 ARG A 43 4.509 -8.218 17.038 1.00 51.40 H new ATOM 0 HE ARG A 43 7.045 -8.415 18.456 1.00 64.41 H new ATOM 0 HH11 ARG A 43 5.522 -7.740 15.343 1.00 14.12 H new ATOM 0 HH12 ARG A 43 6.945 -8.220 14.413 1.00 14.12 H new ATOM 0 HH21 ARG A 43 8.870 -9.028 17.253 1.00 22.53 H new ATOM 0 HH22 ARG A 43 8.831 -8.945 15.488 1.00 22.53 H new ATOM 481 N ALA A 44 4.730 -3.731 16.119 1.00 63.31 N ATOM 482 CA ALA A 44 5.583 -3.211 15.058 1.00 44.03 C ATOM 483 C ALA A 44 5.267 -1.748 14.767 1.00 51.14 C ATOM 484 O ALA A 44 6.130 -0.879 14.893 1.00 34.50 O ATOM 485 CB ALA A 44 5.427 -4.048 13.797 1.00 50.23 C ATOM 0 H ALA A 44 3.961 -4.316 15.793 1.00 63.31 H new ATOM 0 HA ALA A 44 6.618 -3.272 15.395 1.00 44.03 H new ATOM 0 HB1 ALA A 44 6.070 -3.648 13.013 1.00 50.23 H new ATOM 0 HB2 ALA A 44 5.710 -5.079 14.008 1.00 50.23 H new ATOM 0 HB3 ALA A 44 4.389 -4.017 13.466 1.00 50.23 H new ATOM 491 N ALA A 45 4.025 -1.482 14.376 1.00 72.54 N ATOM 492 CA ALA A 45 3.595 -0.124 14.068 1.00 74.21 C ATOM 493 C ALA A 45 3.913 0.826 15.217 1.00 43.21 C ATOM 494 O ALA A 45 3.978 2.041 15.030 1.00 32.15 O ATOM 495 CB ALA A 45 2.105 -0.100 13.758 1.00 42.22 C ATOM 0 H ALA A 45 3.299 -2.190 14.265 1.00 72.54 H new ATOM 0 HA ALA A 45 4.144 0.214 13.189 1.00 74.21 H new ATOM 0 HB1 ALA A 45 1.797 0.920 13.530 1.00 42.22 H new ATOM 0 HB2 ALA A 45 1.901 -0.741 12.900 1.00 42.22 H new ATOM 0 HB3 ALA A 45 1.548 -0.462 14.622 1.00 42.22 H new ATOM 501 N ALA A 46 4.111 0.265 16.405 1.00 2.13 N ATOM 502 CA ALA A 46 4.424 1.063 17.584 1.00 4.02 C ATOM 503 C ALA A 46 5.759 1.783 17.421 1.00 31.33 C ATOM 504 O ALA A 46 5.800 2.977 17.125 1.00 74.24 O ATOM 505 CB ALA A 46 4.445 0.184 18.826 1.00 14.32 C ATOM 0 H ALA A 46 4.060 -0.739 16.577 1.00 2.13 H new ATOM 0 HA ALA A 46 3.645 1.817 17.699 1.00 4.02 H new ATOM 0 HB1 ALA A 46 4.680 0.793 19.699 1.00 14.32 H new ATOM 0 HB2 ALA A 46 3.468 -0.280 18.960 1.00 14.32 H new ATOM 0 HB3 ALA A 46 5.202 -0.591 18.710 1.00 14.32 H new ATOM 511 N VAL A 47 6.850 1.049 17.618 1.00 73.11 N ATOM 512 CA VAL A 47 8.186 1.617 17.492 1.00 4.33 C ATOM 513 C VAL A 47 8.886 1.105 16.239 1.00 61.44 C ATOM 514 O VAL A 47 9.865 1.692 15.779 1.00 23.52 O ATOM 515 CB VAL A 47 9.054 1.289 18.722 1.00 71.41 C ATOM 516 CG1 VAL A 47 10.415 1.958 18.609 1.00 23.34 C ATOM 517 CG2 VAL A 47 8.347 1.711 20.001 1.00 52.43 C ATOM 0 H VAL A 47 6.834 0.060 17.866 1.00 73.11 H new ATOM 0 HA VAL A 47 8.064 2.698 17.420 1.00 4.33 H new ATOM 0 HB VAL A 47 9.208 0.211 18.759 1.00 71.41 H new ATOM 0 HG11 VAL A 47 11.014 1.715 19.487 1.00 23.34 H new ATOM 0 HG12 VAL A 47 10.923 1.601 17.713 1.00 23.34 H new ATOM 0 HG13 VAL A 47 10.285 3.038 18.546 1.00 23.34 H new ATOM 0 HG21 VAL A 47 8.975 1.472 20.860 1.00 52.43 H new ATOM 0 HG22 VAL A 47 8.160 2.785 19.976 1.00 52.43 H new ATOM 0 HG23 VAL A 47 7.399 1.179 20.085 1.00 52.43 H new ATOM 527 N GLN A 48 8.376 0.007 15.690 1.00 22.52 N ATOM 528 CA GLN A 48 8.953 -0.585 14.489 1.00 70.40 C ATOM 529 C GLN A 48 8.608 0.242 13.255 1.00 4.11 C ATOM 530 O GLN A 48 9.370 0.280 12.289 1.00 75.12 O ATOM 531 CB GLN A 48 8.453 -2.020 14.311 1.00 21.13 C ATOM 532 CG GLN A 48 9.419 -2.911 13.547 1.00 4.21 C ATOM 533 CD GLN A 48 10.205 -3.835 14.456 1.00 1.24 C ATOM 534 OE1 GLN A 48 11.048 -3.389 15.235 1.00 10.24 O ATOM 535 NE2 GLN A 48 9.932 -5.131 14.362 1.00 24.03 N ATOM 0 H GLN A 48 7.565 -0.490 16.058 1.00 22.52 H new ATOM 0 HA GLN A 48 10.037 -0.597 14.605 1.00 70.40 H new ATOM 0 HB2 GLN A 48 8.269 -2.456 15.293 1.00 21.13 H new ATOM 0 HB3 GLN A 48 7.498 -2.001 13.787 1.00 21.13 H new ATOM 0 HG2 GLN A 48 8.863 -3.507 12.823 1.00 4.21 H new ATOM 0 HG3 GLN A 48 10.112 -2.288 12.982 1.00 4.21 H new ATOM 0 HE21 GLN A 48 9.225 -5.457 13.702 1.00 24.03 H new ATOM 0 HE22 GLN A 48 10.429 -5.801 14.949 1.00 24.03 H new ATOM 544 N ALA A 49 7.456 0.903 13.295 1.00 43.30 N ATOM 545 CA ALA A 49 7.012 1.731 12.181 1.00 52.52 C ATOM 546 C ALA A 49 7.112 3.214 12.524 1.00 31.25 C ATOM 547 O ALA A 49 6.829 4.075 11.691 1.00 4.04 O ATOM 548 CB ALA A 49 5.585 1.373 11.793 1.00 70.20 C ATOM 0 H ALA A 49 6.813 0.881 14.087 1.00 43.30 H new ATOM 0 HA ALA A 49 7.668 1.536 11.333 1.00 52.52 H new ATOM 0 HB1 ALA A 49 5.266 1.999 10.960 1.00 70.20 H new ATOM 0 HB2 ALA A 49 5.540 0.325 11.497 1.00 70.20 H new ATOM 0 HB3 ALA A 49 4.924 1.538 12.644 1.00 70.20 H new ATOM 554 N VAL A 50 7.515 3.505 13.757 1.00 21.13 N ATOM 555 CA VAL A 50 7.653 4.884 14.211 1.00 32.40 C ATOM 556 C VAL A 50 9.091 5.369 14.067 1.00 71.40 C ATOM 557 O VAL A 50 9.413 6.524 14.344 1.00 25.15 O ATOM 558 CB VAL A 50 7.215 5.037 15.680 1.00 45.41 C ATOM 559 CG1 VAL A 50 8.404 4.859 16.612 1.00 12.15 C ATOM 560 CG2 VAL A 50 6.553 6.389 15.899 1.00 0.14 C ATOM 0 H VAL A 50 7.752 2.804 14.459 1.00 21.13 H new ATOM 0 HA VAL A 50 7.004 5.492 13.581 1.00 32.40 H new ATOM 0 HB VAL A 50 6.486 4.260 15.908 1.00 45.41 H new ATOM 0 HG11 VAL A 50 8.076 4.970 17.646 1.00 12.15 H new ATOM 0 HG12 VAL A 50 8.831 3.866 16.472 1.00 12.15 H new ATOM 0 HG13 VAL A 50 9.158 5.613 16.387 1.00 12.15 H new ATOM 0 HG21 VAL A 50 6.250 6.481 16.942 1.00 0.14 H new ATOM 0 HG22 VAL A 50 7.258 7.183 15.655 1.00 0.14 H new ATOM 0 HG23 VAL A 50 5.676 6.473 15.257 1.00 0.14 H new ATOM 570 N PRO A 51 9.978 4.466 13.622 1.00 51.11 N ATOM 571 CA PRO A 51 11.397 4.779 13.430 1.00 50.25 C ATOM 572 C PRO A 51 11.628 5.728 12.259 1.00 53.43 C ATOM 573 O PRO A 51 12.600 6.482 12.240 1.00 62.41 O ATOM 574 CB PRO A 51 12.026 3.413 13.143 1.00 53.44 C ATOM 575 CG PRO A 51 10.913 2.594 12.585 1.00 25.12 C ATOM 576 CD PRO A 51 9.663 3.071 13.272 1.00 65.23 C ATOM 0 HA PRO A 51 11.823 5.287 14.295 1.00 50.25 H new ATOM 0 HB2 PRO A 51 12.850 3.497 12.434 1.00 53.44 H new ATOM 0 HB3 PRO A 51 12.431 2.965 14.050 1.00 53.44 H new ATOM 0 HG2 PRO A 51 10.838 2.722 11.505 1.00 25.12 H new ATOM 0 HG3 PRO A 51 11.079 1.533 12.770 1.00 25.12 H new ATOM 0 HD2 PRO A 51 8.795 3.007 12.616 1.00 65.23 H new ATOM 0 HD3 PRO A 51 9.438 2.475 14.157 1.00 65.23 H new ATOM 584 N GLY A 52 10.726 5.687 11.282 1.00 12.04 N ATOM 585 CA GLY A 52 10.849 6.549 10.121 1.00 25.23 C ATOM 586 C GLY A 52 10.338 7.951 10.383 1.00 12.42 C ATOM 587 O GLY A 52 11.069 8.927 10.220 1.00 2.12 O ATOM 0 H GLY A 52 9.912 5.072 11.274 1.00 12.04 H new ATOM 0 HA2 GLY A 52 11.895 6.598 9.818 1.00 25.23 H new ATOM 0 HA3 GLY A 52 10.296 6.114 9.289 1.00 25.23 H new ATOM 591 N GLY A 53 9.076 8.053 10.789 1.00 13.33 N ATOM 592 CA GLY A 53 8.488 9.351 11.066 1.00 71.02 C ATOM 593 C GLY A 53 7.260 9.255 11.949 1.00 31.12 C ATOM 594 O GLY A 53 7.008 10.134 12.774 1.00 23.35 O ATOM 0 H GLY A 53 8.450 7.260 10.931 1.00 13.33 H new ATOM 0 HA2 GLY A 53 9.230 9.987 11.549 1.00 71.02 H new ATOM 0 HA3 GLY A 53 8.219 9.833 10.126 1.00 71.02 H new ATOM 598 N THR A 54 6.490 8.185 11.776 1.00 23.30 N ATOM 599 CA THR A 54 5.280 7.978 12.562 1.00 43.23 C ATOM 600 C THR A 54 5.042 6.496 12.825 1.00 23.33 C ATOM 601 O THR A 54 5.454 5.642 12.040 1.00 13.22 O ATOM 602 CB THR A 54 4.045 8.567 11.856 1.00 54.25 C ATOM 603 OG1 THR A 54 4.434 9.661 11.017 1.00 22.04 O ATOM 604 CG2 THR A 54 3.016 9.041 12.871 1.00 52.21 C ATOM 0 H THR A 54 6.683 7.448 11.098 1.00 23.30 H new ATOM 0 HA THR A 54 5.427 8.493 13.511 1.00 43.23 H new ATOM 0 HB THR A 54 3.596 7.784 11.245 1.00 54.25 H new ATOM 0 HG1 THR A 54 3.653 10.221 10.827 1.00 22.04 H new ATOM 0 HG21 THR A 54 2.153 9.453 12.349 1.00 52.21 H new ATOM 0 HG22 THR A 54 2.699 8.200 13.488 1.00 52.21 H new ATOM 0 HG23 THR A 54 3.458 9.810 13.505 1.00 52.21 H new ATOM 612 N ALA A 55 4.375 6.197 13.935 1.00 30.50 N ATOM 613 CA ALA A 55 4.080 4.817 14.300 1.00 31.34 C ATOM 614 C ALA A 55 3.000 4.229 13.398 1.00 32.05 C ATOM 615 O ALA A 55 1.842 4.109 13.797 1.00 22.31 O ATOM 616 CB ALA A 55 3.654 4.736 15.759 1.00 54.43 C ATOM 0 H ALA A 55 4.029 6.892 14.597 1.00 30.50 H new ATOM 0 HA ALA A 55 4.988 4.230 14.165 1.00 31.34 H new ATOM 0 HB1 ALA A 55 3.437 3.700 16.018 1.00 54.43 H new ATOM 0 HB2 ALA A 55 4.458 5.108 16.394 1.00 54.43 H new ATOM 0 HB3 ALA A 55 2.761 5.343 15.912 1.00 54.43 H new ATOM 622 N GLY A 56 3.387 3.865 12.180 1.00 75.35 N ATOM 623 CA GLY A 56 2.439 3.295 11.240 1.00 73.21 C ATOM 624 C GLY A 56 3.084 2.296 10.300 1.00 53.04 C ATOM 625 O GLY A 56 3.806 2.678 9.379 1.00 32.14 O ATOM 0 H GLY A 56 4.340 3.954 11.827 1.00 75.35 H new ATOM 0 HA2 GLY A 56 1.636 2.805 11.791 1.00 73.21 H new ATOM 0 HA3 GLY A 56 1.984 4.096 10.657 1.00 73.21 H new ATOM 629 N GLU A 57 2.824 1.013 10.532 1.00 11.23 N ATOM 630 CA GLU A 57 3.387 -0.043 9.699 1.00 2.14 C ATOM 631 C GLU A 57 2.402 -0.462 8.612 1.00 41.11 C ATOM 632 O GLU A 57 1.361 0.168 8.425 1.00 1.22 O ATOM 633 CB GLU A 57 3.763 -1.253 10.557 1.00 72.44 C ATOM 634 CG GLU A 57 4.956 -2.029 10.025 1.00 72.45 C ATOM 635 CD GLU A 57 5.835 -2.579 11.131 1.00 34.42 C ATOM 636 OE1 GLU A 57 6.092 -1.843 12.107 1.00 74.54 O ATOM 637 OE2 GLU A 57 6.265 -3.747 11.021 1.00 2.42 O ATOM 0 H GLU A 57 2.227 0.680 11.289 1.00 11.23 H new ATOM 0 HA GLU A 57 4.285 0.347 9.220 1.00 2.14 H new ATOM 0 HB2 GLU A 57 3.982 -0.915 11.570 1.00 72.44 H new ATOM 0 HB3 GLU A 57 2.905 -1.922 10.623 1.00 72.44 H new ATOM 0 HG2 GLU A 57 4.602 -2.852 9.405 1.00 72.45 H new ATOM 0 HG3 GLU A 57 5.550 -1.379 9.383 1.00 72.45 H new ATOM 644 N VAL A 58 2.739 -1.530 7.896 1.00 20.22 N ATOM 645 CA VAL A 58 1.885 -2.035 6.827 1.00 1.25 C ATOM 646 C VAL A 58 1.787 -3.555 6.874 1.00 34.44 C ATOM 647 O VAL A 58 2.798 -4.249 6.974 1.00 33.53 O ATOM 648 CB VAL A 58 2.407 -1.608 5.443 1.00 43.31 C ATOM 649 CG1 VAL A 58 1.518 -2.164 4.342 1.00 60.44 C ATOM 650 CG2 VAL A 58 2.497 -0.092 5.352 1.00 13.20 C ATOM 0 H VAL A 58 3.598 -2.062 8.037 1.00 20.22 H new ATOM 0 HA VAL A 58 0.896 -1.605 6.982 1.00 1.25 H new ATOM 0 HB VAL A 58 3.408 -2.017 5.310 1.00 43.31 H new ATOM 0 HG11 VAL A 58 1.903 -1.852 3.371 1.00 60.44 H new ATOM 0 HG12 VAL A 58 1.510 -3.253 4.396 1.00 60.44 H new ATOM 0 HG13 VAL A 58 0.503 -1.787 4.468 1.00 60.44 H new ATOM 0 HG21 VAL A 58 2.868 0.192 4.367 1.00 13.20 H new ATOM 0 HG22 VAL A 58 1.509 0.341 5.506 1.00 13.20 H new ATOM 0 HG23 VAL A 58 3.179 0.279 6.117 1.00 13.20 H new ATOM 660 N GLU A 59 0.561 -4.066 6.801 1.00 24.22 N ATOM 661 CA GLU A 59 0.331 -5.506 6.836 1.00 44.33 C ATOM 662 C GLU A 59 0.128 -6.058 5.428 1.00 71.12 C ATOM 663 O GLU A 59 -0.774 -5.633 4.705 1.00 34.04 O ATOM 664 CB GLU A 59 -0.887 -5.829 7.703 1.00 23.33 C ATOM 665 CG GLU A 59 -0.782 -5.296 9.122 1.00 33.03 C ATOM 666 CD GLU A 59 -2.135 -4.963 9.721 1.00 2.14 C ATOM 667 OE1 GLU A 59 -2.890 -4.194 9.089 1.00 22.45 O ATOM 668 OE2 GLU A 59 -2.438 -5.470 10.821 1.00 13.03 O ATOM 0 H GLU A 59 -0.287 -3.505 6.717 1.00 24.22 H new ATOM 0 HA GLU A 59 1.212 -5.979 7.270 1.00 44.33 H new ATOM 0 HB2 GLU A 59 -1.778 -5.413 7.233 1.00 23.33 H new ATOM 0 HB3 GLU A 59 -1.021 -6.910 7.739 1.00 23.33 H new ATOM 0 HG2 GLU A 59 -0.284 -6.036 9.748 1.00 33.03 H new ATOM 0 HG3 GLU A 59 -0.157 -4.403 9.125 1.00 33.03 H new ATOM 675 N THR A 60 0.974 -7.009 5.043 1.00 1.23 N ATOM 676 CA THR A 60 0.889 -7.619 3.722 1.00 5.34 C ATOM 677 C THR A 60 0.419 -9.066 3.814 1.00 14.41 C ATOM 678 O THR A 60 1.072 -9.902 4.438 1.00 54.53 O ATOM 679 CB THR A 60 2.248 -7.578 2.997 1.00 55.33 C ATOM 680 OG1 THR A 60 2.194 -8.380 1.812 1.00 24.51 O ATOM 681 CG2 THR A 60 3.361 -8.077 3.904 1.00 24.23 C ATOM 0 H THR A 60 1.726 -7.373 5.628 1.00 1.23 H new ATOM 0 HA THR A 60 0.163 -7.040 3.152 1.00 5.34 H new ATOM 0 HB THR A 60 2.460 -6.544 2.726 1.00 55.33 H new ATOM 0 HG1 THR A 60 3.061 -8.348 1.356 1.00 24.51 H new ATOM 0 HG21 THR A 60 4.310 -8.039 3.370 1.00 24.23 H new ATOM 0 HG22 THR A 60 3.418 -7.446 4.791 1.00 24.23 H new ATOM 0 HG23 THR A 60 3.154 -9.105 4.202 1.00 24.23 H new ATOM 689 N GLU A 61 -0.718 -9.354 3.188 1.00 32.11 N ATOM 690 CA GLU A 61 -1.275 -10.701 3.200 1.00 35.52 C ATOM 691 C GLU A 61 -1.929 -11.032 1.861 1.00 21.04 C ATOM 692 O GLU A 61 -2.842 -10.338 1.414 1.00 14.53 O ATOM 693 CB GLU A 61 -2.299 -10.844 4.329 1.00 50.13 C ATOM 694 CG GLU A 61 -1.983 -11.970 5.298 1.00 33.42 C ATOM 695 CD GLU A 61 -3.072 -13.025 5.342 1.00 15.53 C ATOM 696 OE1 GLU A 61 -3.591 -13.387 4.265 1.00 3.31 O ATOM 697 OE2 GLU A 61 -3.407 -13.487 6.453 1.00 42.01 O ATOM 0 H GLU A 61 -1.271 -8.673 2.667 1.00 32.11 H new ATOM 0 HA GLU A 61 -0.458 -11.402 3.369 1.00 35.52 H new ATOM 0 HB2 GLU A 61 -2.352 -9.905 4.881 1.00 50.13 H new ATOM 0 HB3 GLU A 61 -3.284 -11.015 3.895 1.00 50.13 H new ATOM 0 HG2 GLU A 61 -1.041 -12.437 5.011 1.00 33.42 H new ATOM 0 HG3 GLU A 61 -1.843 -11.556 6.297 1.00 33.42 H new ATOM 704 N THR A 62 -1.454 -12.098 1.225 1.00 64.03 N ATOM 705 CA THR A 62 -1.989 -12.521 -0.063 1.00 40.32 C ATOM 706 C THR A 62 -3.178 -13.458 0.116 1.00 3.13 C ATOM 707 O THR A 62 -3.247 -14.209 1.088 1.00 72.10 O ATOM 708 CB THR A 62 -0.916 -13.228 -0.913 1.00 11.41 C ATOM 709 OG1 THR A 62 0.239 -13.503 -0.113 1.00 44.21 O ATOM 710 CG2 THR A 62 -0.521 -12.372 -2.107 1.00 3.23 C ATOM 0 H THR A 62 -0.699 -12.685 1.581 1.00 64.03 H new ATOM 0 HA THR A 62 -2.316 -11.619 -0.581 1.00 40.32 H new ATOM 0 HB THR A 62 -1.334 -14.165 -1.281 1.00 11.41 H new ATOM 0 HG1 THR A 62 0.916 -13.954 -0.660 1.00 44.21 H new ATOM 0 HG21 THR A 62 0.238 -12.892 -2.692 1.00 3.23 H new ATOM 0 HG22 THR A 62 -1.397 -12.189 -2.729 1.00 3.23 H new ATOM 0 HG23 THR A 62 -0.120 -11.421 -1.756 1.00 3.23 H new ATOM 718 N GLY A 63 -4.112 -13.409 -0.828 1.00 53.24 N ATOM 719 CA GLY A 63 -5.286 -14.259 -0.756 1.00 21.34 C ATOM 720 C GLY A 63 -5.585 -14.949 -2.072 1.00 25.10 C ATOM 721 O GLY A 63 -4.884 -15.882 -2.464 1.00 2.42 O ATOM 0 H GLY A 63 -4.077 -12.795 -1.642 1.00 53.24 H new ATOM 0 HA2 GLY A 63 -5.139 -15.011 0.019 1.00 21.34 H new ATOM 0 HA3 GLY A 63 -6.147 -13.660 -0.460 1.00 21.34 H new ATOM 725 N GLU A 64 -6.629 -14.491 -2.755 1.00 42.41 N ATOM 726 CA GLU A 64 -7.019 -15.072 -4.034 1.00 34.52 C ATOM 727 C GLU A 64 -6.278 -14.401 -5.186 1.00 53.33 C ATOM 728 O GLU A 64 -6.085 -14.996 -6.245 1.00 70.03 O ATOM 729 CB GLU A 64 -8.530 -14.941 -4.239 1.00 30.21 C ATOM 730 CG GLU A 64 -9.333 -16.049 -3.577 1.00 44.21 C ATOM 731 CD GLU A 64 -10.609 -16.374 -4.329 1.00 43.31 C ATOM 732 OE1 GLU A 64 -10.547 -16.511 -5.569 1.00 32.41 O ATOM 733 OE2 GLU A 64 -11.668 -16.490 -3.679 1.00 11.14 O ATOM 0 H GLU A 64 -7.220 -13.720 -2.444 1.00 42.41 H new ATOM 0 HA GLU A 64 -6.751 -16.129 -4.020 1.00 34.52 H new ATOM 0 HB2 GLU A 64 -8.860 -13.980 -3.845 1.00 30.21 H new ATOM 0 HB3 GLU A 64 -8.744 -14.937 -5.308 1.00 30.21 H new ATOM 0 HG2 GLU A 64 -8.718 -16.946 -3.507 1.00 44.21 H new ATOM 0 HG3 GLU A 64 -9.582 -15.753 -2.558 1.00 44.21 H new ATOM 740 N GLY A 65 -5.866 -13.155 -4.971 1.00 60.00 N ATOM 741 CA GLY A 65 -5.152 -12.422 -6.000 1.00 3.12 C ATOM 742 C GLY A 65 -3.891 -11.765 -5.474 1.00 51.51 C ATOM 743 O GLY A 65 -3.002 -12.438 -4.955 1.00 20.52 O ATOM 0 H GLY A 65 -6.014 -12.641 -4.103 1.00 60.00 H new ATOM 0 HA2 GLY A 65 -4.893 -13.101 -6.812 1.00 3.12 H new ATOM 0 HA3 GLY A 65 -5.808 -11.659 -6.420 1.00 3.12 H new ATOM 747 N ALA A 66 -3.813 -10.445 -5.610 1.00 42.21 N ATOM 748 CA ALA A 66 -2.652 -9.696 -5.144 1.00 60.45 C ATOM 749 C ALA A 66 -3.034 -8.728 -4.030 1.00 51.35 C ATOM 750 O ALA A 66 -2.468 -7.641 -3.919 1.00 2.11 O ATOM 751 CB ALA A 66 -2.009 -8.946 -6.301 1.00 61.14 C ATOM 0 H ALA A 66 -4.540 -9.872 -6.039 1.00 42.21 H new ATOM 0 HA ALA A 66 -1.930 -10.406 -4.740 1.00 60.45 H new ATOM 0 HB1 ALA A 66 -1.144 -8.391 -5.939 1.00 61.14 H new ATOM 0 HB2 ALA A 66 -1.691 -9.657 -7.064 1.00 61.14 H new ATOM 0 HB3 ALA A 66 -2.731 -8.252 -6.731 1.00 61.14 H new ATOM 757 N ALA A 67 -3.999 -9.129 -3.209 1.00 4.22 N ATOM 758 CA ALA A 67 -4.455 -8.296 -2.103 1.00 31.42 C ATOM 759 C ALA A 67 -3.340 -8.073 -1.087 1.00 41.11 C ATOM 760 O ALA A 67 -2.158 -8.156 -1.420 1.00 72.04 O ATOM 761 CB ALA A 67 -5.665 -8.929 -1.431 1.00 1.33 C ATOM 0 H ALA A 67 -4.480 -10.025 -3.289 1.00 4.22 H new ATOM 0 HA ALA A 67 -4.742 -7.325 -2.506 1.00 31.42 H new ATOM 0 HB1 ALA A 67 -5.996 -8.297 -0.607 1.00 1.33 H new ATOM 0 HB2 ALA A 67 -6.472 -9.031 -2.156 1.00 1.33 H new ATOM 0 HB3 ALA A 67 -5.395 -9.913 -1.048 1.00 1.33 H new ATOM 767 N ALA A 68 -3.724 -7.788 0.153 1.00 24.31 N ATOM 768 CA ALA A 68 -2.756 -7.554 1.217 1.00 23.24 C ATOM 769 C ALA A 68 -3.375 -7.806 2.588 1.00 71.11 C ATOM 770 O ALA A 68 -3.568 -8.953 2.991 1.00 22.34 O ATOM 771 CB ALA A 68 -2.213 -6.135 1.134 1.00 22.23 C ATOM 0 H ALA A 68 -4.698 -7.714 0.445 1.00 24.31 H new ATOM 0 HA ALA A 68 -1.932 -8.255 1.085 1.00 23.24 H new ATOM 0 HB1 ALA A 68 -1.491 -5.974 1.935 1.00 22.23 H new ATOM 0 HB2 ALA A 68 -1.725 -5.988 0.171 1.00 22.23 H new ATOM 0 HB3 ALA A 68 -3.033 -5.425 1.237 1.00 22.23 H new ATOM 777 N TYR A 69 -3.684 -6.728 3.299 1.00 12.14 N ATOM 778 CA TYR A 69 -4.279 -6.833 4.627 1.00 40.55 C ATOM 779 C TYR A 69 -4.752 -5.469 5.121 1.00 52.25 C ATOM 780 O TYR A 69 -5.918 -5.109 4.964 1.00 72.23 O ATOM 781 CB TYR A 69 -3.272 -7.424 5.614 1.00 31.04 C ATOM 782 CG TYR A 69 -3.909 -7.979 6.869 1.00 42.04 C ATOM 783 CD1 TYR A 69 -4.594 -7.151 7.749 1.00 43.32 C ATOM 784 CD2 TYR A 69 -3.826 -9.332 7.173 1.00 70.34 C ATOM 785 CE1 TYR A 69 -5.176 -7.653 8.896 1.00 32.51 C ATOM 786 CE2 TYR A 69 -4.407 -9.844 8.317 1.00 63.21 C ATOM 787 CZ TYR A 69 -5.080 -9.001 9.176 1.00 52.34 C ATOM 788 OH TYR A 69 -5.660 -9.506 10.317 1.00 52.32 O ATOM 0 H TYR A 69 -3.533 -5.771 2.979 1.00 12.14 H new ATOM 0 HA TYR A 69 -5.143 -7.494 4.560 1.00 40.55 H new ATOM 0 HB2 TYR A 69 -2.713 -8.218 5.119 1.00 31.04 H new ATOM 0 HB3 TYR A 69 -2.553 -6.653 5.892 1.00 31.04 H new ATOM 0 HD1 TYR A 69 -4.673 -6.096 7.532 1.00 43.32 H new ATOM 0 HD2 TYR A 69 -3.298 -9.995 6.503 1.00 70.34 H new ATOM 0 HE1 TYR A 69 -5.703 -6.995 9.570 1.00 32.51 H new ATOM 0 HE2 TYR A 69 -4.335 -10.899 8.537 1.00 63.21 H new ATOM 0 HH TYR A 69 -5.143 -9.222 11.100 1.00 52.32 H new ATOM 798 N GLY A 70 -3.836 -4.713 5.719 1.00 53.34 N ATOM 799 CA GLY A 70 -4.177 -3.397 6.226 1.00 13.25 C ATOM 800 C GLY A 70 -2.954 -2.591 6.616 1.00 51.32 C ATOM 801 O GLY A 70 -1.894 -3.152 6.894 1.00 52.04 O ATOM 0 H GLY A 70 -2.864 -4.989 5.861 1.00 53.34 H new ATOM 0 HA2 GLY A 70 -4.740 -2.853 5.467 1.00 13.25 H new ATOM 0 HA3 GLY A 70 -4.830 -3.503 7.092 1.00 13.25 H new ATOM 805 N VAL A 71 -3.099 -1.269 6.635 1.00 73.53 N ATOM 806 CA VAL A 71 -1.997 -0.384 6.992 1.00 33.32 C ATOM 807 C VAL A 71 -2.375 0.519 8.161 1.00 40.35 C ATOM 808 O VAL A 71 -3.333 1.289 8.080 1.00 53.10 O ATOM 809 CB VAL A 71 -1.570 0.490 5.798 1.00 0.24 C ATOM 810 CG1 VAL A 71 -0.468 1.455 6.210 1.00 34.12 C ATOM 811 CG2 VAL A 71 -1.120 -0.380 4.635 1.00 71.41 C ATOM 0 H VAL A 71 -3.969 -0.788 6.407 1.00 73.53 H new ATOM 0 HA VAL A 71 -1.161 -1.020 7.284 1.00 33.32 H new ATOM 0 HB VAL A 71 -2.430 1.075 5.472 1.00 0.24 H new ATOM 0 HG11 VAL A 71 -0.179 2.064 5.354 1.00 34.12 H new ATOM 0 HG12 VAL A 71 -0.830 2.101 7.009 1.00 34.12 H new ATOM 0 HG13 VAL A 71 0.396 0.892 6.562 1.00 34.12 H new ATOM 0 HG21 VAL A 71 -0.822 0.254 3.800 1.00 71.41 H new ATOM 0 HG22 VAL A 71 -0.274 -0.993 4.945 1.00 71.41 H new ATOM 0 HG23 VAL A 71 -1.941 -1.026 4.325 1.00 71.41 H new ATOM 821 N LEU A 72 -1.616 0.421 9.246 1.00 1.42 N ATOM 822 CA LEU A 72 -1.870 1.231 10.433 1.00 20.20 C ATOM 823 C LEU A 72 -0.831 2.339 10.569 1.00 40.21 C ATOM 824 O LEU A 72 0.368 2.102 10.420 1.00 51.52 O ATOM 825 CB LEU A 72 -1.862 0.352 11.685 1.00 3.11 C ATOM 826 CG LEU A 72 -1.053 -0.942 11.591 1.00 21.24 C ATOM 827 CD1 LEU A 72 -1.691 -1.900 10.597 1.00 13.23 C ATOM 828 CD2 LEU A 72 0.387 -0.644 11.199 1.00 73.23 C ATOM 0 H LEU A 72 -0.820 -0.211 9.329 1.00 1.42 H new ATOM 0 HA LEU A 72 -2.852 1.691 10.325 1.00 20.20 H new ATOM 0 HB2 LEU A 72 -1.473 0.941 12.516 1.00 3.11 H new ATOM 0 HB3 LEU A 72 -2.892 0.096 11.931 1.00 3.11 H new ATOM 0 HG LEU A 72 -1.050 -1.418 12.572 1.00 21.24 H new ATOM 0 HD11 LEU A 72 -1.101 -2.815 10.544 1.00 13.23 H new ATOM 0 HD12 LEU A 72 -2.704 -2.139 10.921 1.00 13.23 H new ATOM 0 HD13 LEU A 72 -1.726 -1.433 9.613 1.00 13.23 H new ATOM 0 HD21 LEU A 72 0.948 -1.577 11.137 1.00 73.23 H new ATOM 0 HD22 LEU A 72 0.405 -0.145 10.230 1.00 73.23 H new ATOM 0 HD23 LEU A 72 0.842 0.003 11.949 1.00 73.23 H new ATOM 840 N VAL A 73 -1.299 3.550 10.855 1.00 2.10 N ATOM 841 CA VAL A 73 -0.410 4.695 11.015 1.00 72.13 C ATOM 842 C VAL A 73 -0.961 5.679 12.040 1.00 10.34 C ATOM 843 O VAL A 73 -2.045 6.236 11.864 1.00 52.10 O ATOM 844 CB VAL A 73 -0.196 5.430 9.678 1.00 24.41 C ATOM 845 CG1 VAL A 73 -1.531 5.813 9.059 1.00 70.11 C ATOM 846 CG2 VAL A 73 0.680 6.657 9.880 1.00 52.20 C ATOM 0 H VAL A 73 -2.288 3.763 10.981 1.00 2.10 H new ATOM 0 HA VAL A 73 0.546 4.307 11.365 1.00 72.13 H new ATOM 0 HB VAL A 73 0.315 4.756 8.990 1.00 24.41 H new ATOM 0 HG11 VAL A 73 -1.359 6.331 8.115 1.00 70.11 H new ATOM 0 HG12 VAL A 73 -2.119 4.914 8.877 1.00 70.11 H new ATOM 0 HG13 VAL A 73 -2.073 6.469 9.740 1.00 70.11 H new ATOM 0 HG21 VAL A 73 0.821 7.164 8.926 1.00 52.20 H new ATOM 0 HG22 VAL A 73 0.199 7.336 10.584 1.00 52.20 H new ATOM 0 HG23 VAL A 73 1.649 6.351 10.275 1.00 52.20 H new ATOM 856 N THR A 74 -0.206 5.891 13.114 1.00 35.34 N ATOM 857 CA THR A 74 -0.619 6.807 14.170 1.00 43.43 C ATOM 858 C THR A 74 0.523 7.074 15.144 1.00 62.23 C ATOM 859 O THR A 74 1.652 7.343 14.733 1.00 61.12 O ATOM 860 CB THR A 74 -1.827 6.258 14.951 1.00 71.11 C ATOM 861 OG1 THR A 74 -2.741 5.619 14.053 1.00 34.31 O ATOM 862 CG2 THR A 74 -2.540 7.374 15.700 1.00 73.33 C ATOM 0 H THR A 74 0.695 5.440 13.275 1.00 35.34 H new ATOM 0 HA THR A 74 -0.905 7.740 13.684 1.00 43.43 H new ATOM 0 HB THR A 74 -1.463 5.531 15.676 1.00 71.11 H new ATOM 0 HG1 THR A 74 -2.788 6.128 13.217 1.00 34.31 H new ATOM 0 HG21 THR A 74 -3.390 6.962 16.244 1.00 73.33 H new ATOM 0 HG22 THR A 74 -1.849 7.839 16.404 1.00 73.33 H new ATOM 0 HG23 THR A 74 -2.892 8.122 14.990 1.00 73.33 H new ATOM 870 N ARG A 75 0.223 6.996 16.436 1.00 53.40 N ATOM 871 CA ARG A 75 1.225 7.230 17.469 1.00 71.22 C ATOM 872 C ARG A 75 1.726 5.910 18.048 1.00 1.11 C ATOM 873 O ARG A 75 0.997 4.921 18.126 1.00 51.13 O ATOM 874 CB ARG A 75 0.645 8.101 18.584 1.00 1.33 C ATOM 875 CG ARG A 75 0.786 9.593 18.328 1.00 71.25 C ATOM 876 CD ARG A 75 -0.143 10.402 19.219 1.00 21.33 C ATOM 877 NE ARG A 75 0.493 11.622 19.708 1.00 41.21 N ATOM 878 CZ ARG A 75 1.449 11.634 20.630 1.00 43.21 C ATOM 879 NH1 ARG A 75 1.878 10.497 21.160 1.00 31.00 N ATOM 880 NH2 ARG A 75 1.979 12.785 21.023 1.00 2.41 N ATOM 0 H ARG A 75 -0.706 6.773 16.793 1.00 53.40 H new ATOM 0 HA ARG A 75 2.067 7.750 17.013 1.00 71.22 H new ATOM 0 HB2 ARG A 75 -0.411 7.861 18.709 1.00 1.33 H new ATOM 0 HB3 ARG A 75 1.142 7.854 19.522 1.00 1.33 H new ATOM 0 HG2 ARG A 75 1.818 9.898 18.505 1.00 71.25 H new ATOM 0 HG3 ARG A 75 0.565 9.806 17.282 1.00 71.25 H new ATOM 0 HD2 ARG A 75 -1.044 10.661 18.663 1.00 21.33 H new ATOM 0 HD3 ARG A 75 -0.455 9.791 20.066 1.00 21.33 H new ATOM 0 HE ARG A 75 0.186 12.514 19.320 1.00 41.21 H new ATOM 0 HH11 ARG A 75 1.474 9.610 20.860 1.00 31.00 H new ATOM 0 HH12 ARG A 75 2.612 10.509 21.868 1.00 31.00 H new ATOM 0 HH21 ARG A 75 1.652 13.662 20.617 1.00 2.41 H new ATOM 0 HH22 ARG A 75 2.713 12.793 21.731 1.00 2.41 H new ATOM 894 N PRO A 76 3.001 5.893 18.465 1.00 70.45 N ATOM 895 CA PRO A 76 3.628 4.701 19.044 1.00 42.01 C ATOM 896 C PRO A 76 3.071 4.365 20.423 1.00 75.23 C ATOM 897 O PRO A 76 3.600 3.501 21.123 1.00 15.40 O ATOM 898 CB PRO A 76 5.105 5.091 19.145 1.00 51.10 C ATOM 899 CG PRO A 76 5.099 6.579 19.228 1.00 30.53 C ATOM 900 CD PRO A 76 3.928 7.035 18.402 1.00 22.14 C ATOM 0 HA PRO A 76 3.448 3.812 18.440 1.00 42.01 H new ATOM 0 HB2 PRO A 76 5.572 4.647 20.024 1.00 51.10 H new ATOM 0 HB3 PRO A 76 5.666 4.745 18.277 1.00 51.10 H new ATOM 0 HG2 PRO A 76 5.001 6.912 20.261 1.00 30.53 H new ATOM 0 HG3 PRO A 76 6.031 6.995 18.846 1.00 30.53 H new ATOM 0 HD2 PRO A 76 3.478 7.941 18.808 1.00 22.14 H new ATOM 0 HD3 PRO A 76 4.222 7.258 17.376 1.00 22.14 H new ATOM 908 N ASP A 77 2.000 5.051 20.806 1.00 11.32 N ATOM 909 CA ASP A 77 1.369 4.824 22.101 1.00 3.03 C ATOM 910 C ASP A 77 0.319 3.722 22.008 1.00 21.54 C ATOM 911 O ASP A 77 -0.741 3.806 22.627 1.00 1.20 O ATOM 912 CB ASP A 77 0.728 6.115 22.614 1.00 61.52 C ATOM 913 CG ASP A 77 1.716 7.000 23.348 1.00 73.11 C ATOM 914 OD1 ASP A 77 2.742 6.474 23.827 1.00 3.01 O ATOM 915 OD2 ASP A 77 1.463 8.219 23.443 1.00 75.14 O ATOM 0 H ASP A 77 1.550 5.769 20.238 1.00 11.32 H new ATOM 0 HA ASP A 77 2.141 4.507 22.803 1.00 3.03 H new ATOM 0 HB2 ASP A 77 0.305 6.666 21.774 1.00 61.52 H new ATOM 0 HB3 ASP A 77 -0.098 5.867 23.280 1.00 61.52 H new ATOM 920 N GLY A 78 0.621 2.687 21.229 1.00 3.15 N ATOM 921 CA GLY A 78 -0.307 1.583 21.069 1.00 51.33 C ATOM 922 C GLY A 78 -1.513 1.958 20.230 1.00 32.34 C ATOM 923 O GLY A 78 -2.334 1.104 19.892 1.00 64.20 O ATOM 0 H GLY A 78 1.492 2.594 20.706 1.00 3.15 H new ATOM 0 HA2 GLY A 78 0.209 0.743 20.604 1.00 51.33 H new ATOM 0 HA3 GLY A 78 -0.641 1.248 22.051 1.00 51.33 H new ATOM 927 N THR A 79 -1.624 3.239 19.895 1.00 50.34 N ATOM 928 CA THR A 79 -2.740 3.726 19.093 1.00 30.25 C ATOM 929 C THR A 79 -2.344 3.870 17.629 1.00 44.04 C ATOM 930 O THR A 79 -1.486 4.684 17.285 1.00 13.11 O ATOM 931 CB THR A 79 -3.253 5.083 19.611 1.00 73.04 C ATOM 932 OG1 THR A 79 -2.283 6.104 19.353 1.00 51.11 O ATOM 933 CG2 THR A 79 -3.545 5.018 21.102 1.00 11.42 C ATOM 0 H THR A 79 -0.954 3.959 20.167 1.00 50.34 H new ATOM 0 HA THR A 79 -3.537 2.988 19.179 1.00 30.25 H new ATOM 0 HB THR A 79 -4.178 5.321 19.086 1.00 73.04 H new ATOM 0 HG1 THR A 79 -1.855 5.938 18.487 1.00 51.11 H new ATOM 0 HG21 THR A 79 -3.906 5.988 21.445 1.00 11.42 H new ATOM 0 HG22 THR A 79 -4.305 4.260 21.291 1.00 11.42 H new ATOM 0 HG23 THR A 79 -2.633 4.759 21.640 1.00 11.42 H new ATOM 941 N ARG A 80 -2.973 3.076 16.769 1.00 31.41 N ATOM 942 CA ARG A 80 -2.685 3.115 15.340 1.00 31.05 C ATOM 943 C ARG A 80 -3.970 3.016 14.524 1.00 72.32 C ATOM 944 O ARG A 80 -5.004 2.571 15.024 1.00 5.33 O ATOM 945 CB ARG A 80 -1.736 1.978 14.958 1.00 32.53 C ATOM 946 CG ARG A 80 -1.417 1.038 16.110 1.00 42.04 C ATOM 947 CD ARG A 80 -1.263 -0.397 15.631 1.00 21.22 C ATOM 948 NE ARG A 80 -2.379 -1.238 16.055 1.00 54.04 N ATOM 949 CZ ARG A 80 -2.665 -1.495 17.326 1.00 20.02 C ATOM 950 NH1 ARG A 80 -1.920 -0.979 18.294 1.00 50.32 N ATOM 951 NH2 ARG A 80 -3.698 -2.270 17.632 1.00 40.30 N ATOM 0 H ARG A 80 -3.686 2.397 17.037 1.00 31.41 H new ATOM 0 HA ARG A 80 -2.206 4.068 15.117 1.00 31.05 H new ATOM 0 HB2 ARG A 80 -2.179 1.404 14.144 1.00 32.53 H new ATOM 0 HB3 ARG A 80 -0.807 2.403 14.579 1.00 32.53 H new ATOM 0 HG2 ARG A 80 -0.498 1.360 16.600 1.00 42.04 H new ATOM 0 HG3 ARG A 80 -2.211 1.091 16.855 1.00 42.04 H new ATOM 0 HD2 ARG A 80 -1.192 -0.410 14.543 1.00 21.22 H new ATOM 0 HD3 ARG A 80 -0.331 -0.810 16.017 1.00 21.22 H new ATOM 0 HE ARG A 80 -2.972 -1.651 15.335 1.00 54.04 H new ATOM 0 HH11 ARG A 80 -1.125 -0.383 18.063 1.00 50.32 H new ATOM 0 HH12 ARG A 80 -2.142 -1.178 19.269 1.00 50.32 H new ATOM 0 HH21 ARG A 80 -4.273 -2.669 16.890 1.00 40.30 H new ATOM 0 HH22 ARG A 80 -3.916 -2.467 18.609 1.00 40.30 H new ATOM 965 N VAL A 81 -3.898 3.433 13.264 1.00 54.12 N ATOM 966 CA VAL A 81 -5.055 3.391 12.377 1.00 32.23 C ATOM 967 C VAL A 81 -4.840 2.399 11.240 1.00 41.02 C ATOM 968 O VAL A 81 -4.377 2.768 10.161 1.00 54.40 O ATOM 969 CB VAL A 81 -5.358 4.779 11.783 1.00 41.20 C ATOM 970 CG1 VAL A 81 -6.587 4.721 10.889 1.00 51.10 C ATOM 971 CG2 VAL A 81 -5.543 5.804 12.892 1.00 42.23 C ATOM 0 H VAL A 81 -3.051 3.804 12.834 1.00 54.12 H new ATOM 0 HA VAL A 81 -5.904 3.069 12.980 1.00 32.23 H new ATOM 0 HB VAL A 81 -4.509 5.087 11.173 1.00 41.20 H new ATOM 0 HG11 VAL A 81 -6.785 5.711 10.478 1.00 51.10 H new ATOM 0 HG12 VAL A 81 -6.411 4.019 10.074 1.00 51.10 H new ATOM 0 HG13 VAL A 81 -7.446 4.392 11.473 1.00 51.10 H new ATOM 0 HG21 VAL A 81 -5.756 6.779 12.454 1.00 42.23 H new ATOM 0 HG22 VAL A 81 -6.374 5.503 13.531 1.00 42.23 H new ATOM 0 HG23 VAL A 81 -4.632 5.865 13.487 1.00 42.23 H new ATOM 981 N GLU A 82 -5.179 1.138 11.489 1.00 11.01 N ATOM 982 CA GLU A 82 -5.022 0.093 10.485 1.00 72.43 C ATOM 983 C GLU A 82 -6.184 0.109 9.496 1.00 54.31 C ATOM 984 O GLU A 82 -7.345 -0.032 9.882 1.00 62.31 O ATOM 985 CB GLU A 82 -4.928 -1.280 11.155 1.00 13.41 C ATOM 986 CG GLU A 82 -6.255 -1.784 11.699 1.00 43.45 C ATOM 987 CD GLU A 82 -6.847 -2.894 10.853 1.00 33.21 C ATOM 988 OE1 GLU A 82 -6.488 -2.989 9.661 1.00 73.20 O ATOM 989 OE2 GLU A 82 -7.670 -3.669 11.385 1.00 53.23 O ATOM 0 H GLU A 82 -5.564 0.816 12.377 1.00 11.01 H new ATOM 0 HA GLU A 82 -4.099 0.287 9.938 1.00 72.43 H new ATOM 0 HB2 GLU A 82 -4.543 -2.001 10.434 1.00 13.41 H new ATOM 0 HB3 GLU A 82 -4.207 -1.228 11.971 1.00 13.41 H new ATOM 0 HG2 GLU A 82 -6.113 -2.145 12.718 1.00 43.45 H new ATOM 0 HG3 GLU A 82 -6.961 -0.955 11.750 1.00 43.45 H new ATOM 996 N VAL A 83 -5.864 0.284 8.218 1.00 63.03 N ATOM 997 CA VAL A 83 -6.880 0.319 7.173 1.00 63.14 C ATOM 998 C VAL A 83 -7.012 -1.037 6.489 1.00 22.40 C ATOM 999 O VAL A 83 -6.111 -1.873 6.565 1.00 63.32 O ATOM 1000 CB VAL A 83 -6.556 1.387 6.111 1.00 14.21 C ATOM 1001 CG1 VAL A 83 -7.829 1.861 5.426 1.00 42.43 C ATOM 1002 CG2 VAL A 83 -5.813 2.555 6.741 1.00 50.52 C ATOM 0 H VAL A 83 -4.909 0.404 7.881 1.00 63.03 H new ATOM 0 HA VAL A 83 -7.823 0.572 7.657 1.00 63.14 H new ATOM 0 HB VAL A 83 -5.910 0.940 5.355 1.00 14.21 H new ATOM 0 HG11 VAL A 83 -7.581 2.615 4.679 1.00 42.43 H new ATOM 0 HG12 VAL A 83 -8.317 1.016 4.940 1.00 42.43 H new ATOM 0 HG13 VAL A 83 -8.502 2.292 6.167 1.00 42.43 H new ATOM 0 HG21 VAL A 83 -5.592 3.300 5.977 1.00 50.52 H new ATOM 0 HG22 VAL A 83 -6.432 3.004 7.517 1.00 50.52 H new ATOM 0 HG23 VAL A 83 -4.881 2.199 7.181 1.00 50.52 H new ATOM 1012 N HIS A 84 -8.141 -1.250 5.821 1.00 50.44 N ATOM 1013 CA HIS A 84 -8.391 -2.505 5.122 1.00 72.14 C ATOM 1014 C HIS A 84 -8.227 -2.330 3.615 1.00 73.12 C ATOM 1015 O HIS A 84 -9.049 -1.687 2.961 1.00 52.41 O ATOM 1016 CB HIS A 84 -9.797 -3.018 5.437 1.00 3.33 C ATOM 1017 CG HIS A 84 -9.845 -4.483 5.741 1.00 35.42 C ATOM 1018 ND1 HIS A 84 -9.022 -5.492 5.371 1.00 3.34 N flip ATOM 1019 CD2 HIS A 84 -10.833 -5.060 6.512 1.00 31.14 C flip ATOM 1020 CE1 HIS A 84 -9.521 -6.647 5.921 1.00 25.13 C flip ATOM 1021 NE2 HIS A 84 -10.614 -6.359 6.605 1.00 30.33 N flip ATOM 0 H HIS A 84 -8.897 -0.569 5.749 1.00 50.44 H new ATOM 0 HA HIS A 84 -7.660 -3.236 5.467 1.00 72.14 H new ATOM 0 HB2 HIS A 84 -10.194 -2.465 6.288 1.00 3.33 H new ATOM 0 HB3 HIS A 84 -10.449 -2.810 4.589 1.00 3.33 H new ATOM 0 HD1 HIS A 84 -8.187 -5.410 4.792 1.00 3.34 H new ATOM 0 HD2 HIS A 84 -11.657 -4.532 6.968 1.00 31.14 H new ATOM 0 HE1 HIS A 84 -9.090 -7.631 5.812 1.00 25.13 H new ATOM 1029 N LEU A 85 -7.161 -2.906 3.070 1.00 52.41 N ATOM 1030 CA LEU A 85 -6.889 -2.813 1.640 1.00 43.22 C ATOM 1031 C LEU A 85 -6.639 -4.194 1.042 1.00 4.24 C ATOM 1032 O LEU A 85 -5.623 -4.829 1.326 1.00 31.34 O ATOM 1033 CB LEU A 85 -5.680 -1.909 1.388 1.00 32.34 C ATOM 1034 CG LEU A 85 -4.747 -1.690 2.579 1.00 24.44 C ATOM 1035 CD1 LEU A 85 -5.491 -1.024 3.726 1.00 51.22 C ATOM 1036 CD2 LEU A 85 -4.140 -3.011 3.031 1.00 1.22 C ATOM 0 H LEU A 85 -6.471 -3.442 3.597 1.00 52.41 H new ATOM 0 HA LEU A 85 -7.765 -2.381 1.156 1.00 43.22 H new ATOM 0 HB2 LEU A 85 -5.098 -2.333 0.570 1.00 32.34 H new ATOM 0 HB3 LEU A 85 -6.042 -0.937 1.052 1.00 32.34 H new ATOM 0 HG LEU A 85 -3.939 -1.029 2.265 1.00 24.44 H new ATOM 0 HD11 LEU A 85 -4.810 -0.877 4.564 1.00 51.22 H new ATOM 0 HD12 LEU A 85 -5.877 -0.059 3.398 1.00 51.22 H new ATOM 0 HD13 LEU A 85 -6.320 -1.659 4.039 1.00 51.22 H new ATOM 0 HD21 LEU A 85 -3.479 -2.836 3.880 1.00 1.22 H new ATOM 0 HD22 LEU A 85 -4.936 -3.695 3.326 1.00 1.22 H new ATOM 0 HD23 LEU A 85 -3.570 -3.449 2.211 1.00 1.22 H new ATOM 1048 N ASP A 86 -7.570 -4.651 0.212 1.00 4.05 N ATOM 1049 CA ASP A 86 -7.449 -5.955 -0.428 1.00 62.43 C ATOM 1050 C ASP A 86 -7.838 -5.875 -1.901 1.00 64.52 C ATOM 1051 O ASP A 86 -9.012 -5.717 -2.236 1.00 22.13 O ATOM 1052 CB ASP A 86 -8.326 -6.983 0.289 1.00 54.34 C ATOM 1053 CG ASP A 86 -8.112 -6.980 1.789 1.00 31.54 C ATOM 1054 OD1 ASP A 86 -6.981 -6.680 2.227 1.00 35.23 O ATOM 1055 OD2 ASP A 86 -9.075 -7.278 2.526 1.00 32.02 O ATOM 0 H ASP A 86 -8.417 -4.138 -0.033 1.00 4.05 H new ATOM 0 HA ASP A 86 -6.407 -6.269 -0.362 1.00 62.43 H new ATOM 0 HB2 ASP A 86 -9.374 -6.775 0.074 1.00 54.34 H new ATOM 0 HB3 ASP A 86 -8.111 -7.977 -0.104 1.00 54.34 H new ATOM 1060 N ARG A 87 -6.844 -5.985 -2.777 1.00 0.10 N ATOM 1061 CA ARG A 87 -7.082 -5.923 -4.214 1.00 42.40 C ATOM 1062 C ARG A 87 -7.898 -7.124 -4.683 1.00 3.14 C ATOM 1063 O ARG A 87 -8.194 -7.261 -5.870 1.00 13.53 O ATOM 1064 CB ARG A 87 -5.753 -5.869 -4.970 1.00 52.45 C ATOM 1065 CG ARG A 87 -5.891 -5.406 -6.412 1.00 14.23 C ATOM 1066 CD ARG A 87 -5.617 -6.538 -7.389 1.00 74.10 C ATOM 1067 NE ARG A 87 -5.551 -6.066 -8.769 1.00 53.34 N ATOM 1068 CZ ARG A 87 -6.621 -5.745 -9.488 1.00 52.13 C ATOM 1069 NH1 ARG A 87 -7.833 -5.845 -8.960 1.00 52.32 N ATOM 1070 NH2 ARG A 87 -6.480 -5.323 -10.738 1.00 41.43 N ATOM 0 H ARG A 87 -5.867 -6.117 -2.517 1.00 0.10 H new ATOM 0 HA ARG A 87 -7.649 -5.016 -4.424 1.00 42.40 H new ATOM 0 HB2 ARG A 87 -5.073 -5.198 -4.445 1.00 52.45 H new ATOM 0 HB3 ARG A 87 -5.297 -6.859 -4.957 1.00 52.45 H new ATOM 0 HG2 ARG A 87 -6.896 -5.018 -6.576 1.00 14.23 H new ATOM 0 HG3 ARG A 87 -5.198 -4.586 -6.600 1.00 14.23 H new ATOM 0 HD2 ARG A 87 -4.677 -7.024 -7.127 1.00 74.10 H new ATOM 0 HD3 ARG A 87 -6.400 -7.291 -7.300 1.00 74.10 H new ATOM 0 HE ARG A 87 -4.633 -5.978 -9.205 1.00 53.34 H new ATOM 0 HH11 ARG A 87 -7.946 -6.169 -7.999 1.00 52.32 H new ATOM 0 HH12 ARG A 87 -8.653 -5.598 -9.514 1.00 52.32 H new ATOM 0 HH21 ARG A 87 -5.549 -5.245 -11.148 1.00 41.43 H new ATOM 0 HH22 ARG A 87 -7.302 -5.077 -11.289 1.00 41.43 H new ATOM 1084 N ASP A 88 -8.257 -7.991 -3.743 1.00 24.52 N ATOM 1085 CA ASP A 88 -9.039 -9.181 -4.059 1.00 24.11 C ATOM 1086 C ASP A 88 -10.466 -8.806 -4.446 1.00 63.31 C ATOM 1087 O ASP A 88 -11.221 -9.636 -4.954 1.00 4.21 O ATOM 1088 CB ASP A 88 -9.055 -10.138 -2.866 1.00 72.42 C ATOM 1089 CG ASP A 88 -9.667 -11.482 -3.211 1.00 12.14 C ATOM 1090 OD1 ASP A 88 -9.871 -11.750 -4.413 1.00 1.10 O ATOM 1091 OD2 ASP A 88 -9.943 -12.265 -2.278 1.00 32.33 O ATOM 0 H ASP A 88 -8.019 -7.892 -2.756 1.00 24.52 H new ATOM 0 HA ASP A 88 -8.571 -9.679 -4.908 1.00 24.11 H new ATOM 0 HB2 ASP A 88 -8.036 -10.287 -2.509 1.00 72.42 H new ATOM 0 HB3 ASP A 88 -9.616 -9.686 -2.048 1.00 72.42 H new ATOM 1096 N PHE A 89 -10.829 -7.552 -4.202 1.00 15.31 N ATOM 1097 CA PHE A 89 -12.167 -7.067 -4.523 1.00 21.21 C ATOM 1098 C PHE A 89 -12.224 -5.544 -4.458 1.00 44.32 C ATOM 1099 O PHE A 89 -11.924 -4.859 -5.436 1.00 41.42 O ATOM 1100 CB PHE A 89 -13.195 -7.668 -3.562 1.00 25.32 C ATOM 1101 CG PHE A 89 -12.582 -8.507 -2.477 1.00 3.34 C ATOM 1102 CD1 PHE A 89 -11.828 -7.921 -1.473 1.00 3.14 C ATOM 1103 CD2 PHE A 89 -12.759 -9.881 -2.461 1.00 52.20 C ATOM 1104 CE1 PHE A 89 -11.263 -8.690 -0.472 1.00 43.53 C ATOM 1105 CE2 PHE A 89 -12.197 -10.654 -1.463 1.00 60.42 C ATOM 1106 CZ PHE A 89 -11.447 -10.058 -0.468 1.00 62.24 C ATOM 0 H PHE A 89 -10.216 -6.853 -3.783 1.00 15.31 H new ATOM 0 HA PHE A 89 -12.404 -7.379 -5.540 1.00 21.21 H new ATOM 0 HB2 PHE A 89 -13.769 -6.862 -3.106 1.00 25.32 H new ATOM 0 HB3 PHE A 89 -13.898 -8.278 -4.129 1.00 25.32 H new ATOM 0 HD1 PHE A 89 -11.680 -6.851 -1.472 1.00 3.14 H new ATOM 0 HD2 PHE A 89 -13.343 -10.353 -3.237 1.00 52.20 H new ATOM 0 HE1 PHE A 89 -10.679 -8.221 0.306 1.00 43.53 H new ATOM 0 HE2 PHE A 89 -12.344 -11.724 -1.461 1.00 60.42 H new ATOM 0 HZ PHE A 89 -11.005 -10.661 0.312 1.00 62.24 H new ATOM 1116 N ARG A 90 -12.611 -5.021 -3.299 1.00 44.33 N ATOM 1117 CA ARG A 90 -12.709 -3.579 -3.107 1.00 3.14 C ATOM 1118 C ARG A 90 -12.539 -3.214 -1.635 1.00 31.44 C ATOM 1119 O ARG A 90 -13.175 -2.285 -1.137 1.00 44.21 O ATOM 1120 CB ARG A 90 -14.056 -3.065 -3.618 1.00 44.04 C ATOM 1121 CG ARG A 90 -15.208 -4.025 -3.371 1.00 3.13 C ATOM 1122 CD ARG A 90 -15.416 -4.273 -1.885 1.00 74.20 C ATOM 1123 NE ARG A 90 -16.803 -4.614 -1.576 1.00 64.05 N ATOM 1124 CZ ARG A 90 -17.357 -5.783 -1.878 1.00 43.03 C ATOM 1125 NH1 ARG A 90 -16.646 -6.718 -2.493 1.00 22.31 N ATOM 1126 NH2 ARG A 90 -18.624 -6.018 -1.565 1.00 33.44 N ATOM 0 H ARG A 90 -12.862 -5.574 -2.479 1.00 44.33 H new ATOM 0 HA ARG A 90 -11.908 -3.107 -3.676 1.00 3.14 H new ATOM 0 HB2 ARG A 90 -14.278 -2.113 -3.136 1.00 44.04 H new ATOM 0 HB3 ARG A 90 -13.979 -2.871 -4.688 1.00 44.04 H new ATOM 0 HG2 ARG A 90 -16.122 -3.618 -3.805 1.00 3.13 H new ATOM 0 HG3 ARG A 90 -15.010 -4.971 -3.875 1.00 3.13 H new ATOM 0 HD2 ARG A 90 -14.762 -5.081 -1.557 1.00 74.20 H new ATOM 0 HD3 ARG A 90 -15.128 -3.383 -1.325 1.00 74.20 H new ATOM 0 HE ARG A 90 -17.377 -3.916 -1.103 1.00 64.05 H new ATOM 0 HH11 ARG A 90 -15.671 -6.541 -2.735 1.00 22.31 H new ATOM 0 HH12 ARG A 90 -17.074 -7.615 -2.724 1.00 22.31 H new ATOM 0 HH21 ARG A 90 -19.174 -5.301 -1.092 1.00 33.44 H new ATOM 0 HH22 ARG A 90 -19.049 -6.916 -1.797 1.00 33.44 H new ATOM 1140 N VAL A 91 -11.678 -3.954 -0.943 1.00 2.44 N ATOM 1141 CA VAL A 91 -11.424 -3.708 0.472 1.00 21.20 C ATOM 1142 C VAL A 91 -10.673 -2.398 0.676 1.00 4.53 C ATOM 1143 O VAL A 91 -9.456 -2.332 0.498 1.00 65.41 O ATOM 1144 CB VAL A 91 -10.614 -4.856 1.104 1.00 3.41 C ATOM 1145 CG1 VAL A 91 -9.945 -4.392 2.389 1.00 30.44 C ATOM 1146 CG2 VAL A 91 -11.507 -6.059 1.362 1.00 34.21 C ATOM 0 H VAL A 91 -11.145 -4.728 -1.339 1.00 2.44 H new ATOM 0 HA VAL A 91 -12.396 -3.646 0.962 1.00 21.20 H new ATOM 0 HB VAL A 91 -9.834 -5.156 0.404 1.00 3.41 H new ATOM 0 HG11 VAL A 91 -9.377 -5.216 2.822 1.00 30.44 H new ATOM 0 HG12 VAL A 91 -9.272 -3.563 2.170 1.00 30.44 H new ATOM 0 HG13 VAL A 91 -10.706 -4.064 3.097 1.00 30.44 H new ATOM 0 HG21 VAL A 91 -10.918 -6.860 1.809 1.00 34.21 H new ATOM 0 HG22 VAL A 91 -12.310 -5.777 2.042 1.00 34.21 H new ATOM 0 HG23 VAL A 91 -11.934 -6.404 0.420 1.00 34.21 H new ATOM 1156 N LEU A 92 -11.405 -1.355 1.052 1.00 42.32 N ATOM 1157 CA LEU A 92 -10.808 -0.044 1.282 1.00 41.44 C ATOM 1158 C LEU A 92 -11.337 0.577 2.570 1.00 0.35 C ATOM 1159 O LEU A 92 -11.205 1.781 2.791 1.00 50.30 O ATOM 1160 CB LEU A 92 -11.096 0.884 0.100 1.00 64.23 C ATOM 1161 CG LEU A 92 -11.262 0.206 -1.261 1.00 21.44 C ATOM 1162 CD1 LEU A 92 -12.680 0.390 -1.779 1.00 62.30 C ATOM 1163 CD2 LEU A 92 -10.252 0.755 -2.258 1.00 11.14 C ATOM 0 H LEU A 92 -12.413 -1.392 1.204 1.00 42.32 H new ATOM 0 HA LEU A 92 -9.730 -0.175 1.379 1.00 41.44 H new ATOM 0 HB2 LEU A 92 -12.005 1.445 0.317 1.00 64.23 H new ATOM 0 HB3 LEU A 92 -10.285 1.608 0.026 1.00 64.23 H new ATOM 0 HG LEU A 92 -11.077 -0.861 -1.139 1.00 21.44 H new ATOM 0 HD11 LEU A 92 -12.780 -0.099 -2.748 1.00 62.30 H new ATOM 0 HD12 LEU A 92 -13.385 -0.053 -1.075 1.00 62.30 H new ATOM 0 HD13 LEU A 92 -12.893 1.454 -1.886 1.00 62.30 H new ATOM 0 HD21 LEU A 92 -10.385 0.261 -3.220 1.00 11.14 H new ATOM 0 HD22 LEU A 92 -10.404 1.828 -2.377 1.00 11.14 H new ATOM 0 HD23 LEU A 92 -9.242 0.570 -1.892 1.00 11.14 H new ATOM 1175 N ASP A 93 -11.934 -0.252 3.419 1.00 61.40 N ATOM 1176 CA ASP A 93 -12.480 0.214 4.688 1.00 11.31 C ATOM 1177 C ASP A 93 -11.380 0.350 5.736 1.00 20.42 C ATOM 1178 O ASP A 93 -10.407 -0.405 5.732 1.00 3.02 O ATOM 1179 CB ASP A 93 -13.561 -0.746 5.186 1.00 31.04 C ATOM 1180 CG ASP A 93 -14.067 -0.382 6.569 1.00 45.14 C ATOM 1181 OD1 ASP A 93 -14.318 0.817 6.811 1.00 20.22 O ATOM 1182 OD2 ASP A 93 -14.210 -1.296 7.408 1.00 3.42 O ATOM 0 H ASP A 93 -12.052 -1.251 3.251 1.00 61.40 H new ATOM 0 HA ASP A 93 -12.925 1.196 4.525 1.00 11.31 H new ATOM 0 HB2 ASP A 93 -14.396 -0.744 4.485 1.00 31.04 H new ATOM 0 HB3 ASP A 93 -13.162 -1.760 5.204 1.00 31.04 H new ATOM 1187 N THR A 94 -11.540 1.317 6.634 1.00 52.44 N ATOM 1188 CA THR A 94 -10.560 1.554 7.686 1.00 33.42 C ATOM 1189 C THR A 94 -10.890 0.746 8.936 1.00 74.40 C ATOM 1190 O THR A 94 -12.000 0.233 9.079 1.00 63.21 O ATOM 1191 CB THR A 94 -10.485 3.046 8.059 1.00 42.32 C ATOM 1192 OG1 THR A 94 -9.394 3.272 8.959 1.00 72.01 O ATOM 1193 CG2 THR A 94 -11.783 3.510 8.701 1.00 14.12 C ATOM 0 H THR A 94 -12.340 1.949 6.653 1.00 52.44 H new ATOM 0 HA THR A 94 -9.594 1.236 7.295 1.00 33.42 H new ATOM 0 HB THR A 94 -10.326 3.618 7.145 1.00 42.32 H new ATOM 0 HG1 THR A 94 -9.352 4.223 9.190 1.00 72.01 H new ATOM 0 HG21 THR A 94 -11.705 4.567 8.956 1.00 14.12 H new ATOM 0 HG22 THR A 94 -12.607 3.364 8.002 1.00 14.12 H new ATOM 0 HG23 THR A 94 -11.968 2.932 9.606 1.00 14.12 H new ATOM 1201 N GLU A 95 -9.920 0.637 9.838 1.00 12.14 N ATOM 1202 CA GLU A 95 -10.110 -0.109 11.077 1.00 64.44 C ATOM 1203 C GLU A 95 -9.325 0.526 12.221 1.00 43.14 C ATOM 1204 O GLU A 95 -8.106 0.690 12.155 1.00 32.12 O ATOM 1205 CB GLU A 95 -9.675 -1.565 10.892 1.00 11.12 C ATOM 1206 CG GLU A 95 -10.829 -2.553 10.921 1.00 11.11 C ATOM 1207 CD GLU A 95 -11.488 -2.720 9.566 1.00 71.13 C ATOM 1208 OE1 GLU A 95 -10.762 -2.956 8.577 1.00 12.45 O ATOM 1209 OE2 GLU A 95 -12.731 -2.616 9.494 1.00 44.40 O ATOM 0 H GLU A 95 -8.995 1.055 9.735 1.00 12.14 H new ATOM 0 HA GLU A 95 -11.170 -0.082 11.329 1.00 64.44 H new ATOM 0 HB2 GLU A 95 -9.150 -1.661 9.942 1.00 11.12 H new ATOM 0 HB3 GLU A 95 -8.965 -1.826 11.677 1.00 11.12 H new ATOM 0 HG2 GLU A 95 -10.465 -3.521 11.266 1.00 11.11 H new ATOM 0 HG3 GLU A 95 -11.573 -2.216 11.643 1.00 11.11 H new ATOM 1216 N PRO A 96 -10.039 0.894 13.295 1.00 63.22 N ATOM 1217 CA PRO A 96 -9.431 1.517 14.474 1.00 44.30 C ATOM 1218 C PRO A 96 -8.563 0.542 15.263 1.00 42.45 C ATOM 1219 O PRO A 96 -9.000 -0.556 15.603 1.00 22.43 O ATOM 1220 CB PRO A 96 -10.638 1.953 15.308 1.00 73.15 C ATOM 1221 CG PRO A 96 -11.735 1.034 14.894 1.00 33.30 C ATOM 1222 CD PRO A 96 -11.495 0.729 13.441 1.00 24.23 C ATOM 0 HA PRO A 96 -8.764 2.336 14.203 1.00 44.30 H new ATOM 0 HB2 PRO A 96 -10.433 1.869 16.375 1.00 73.15 H new ATOM 0 HB3 PRO A 96 -10.899 2.993 15.114 1.00 73.15 H new ATOM 0 HG2 PRO A 96 -11.726 0.122 15.491 1.00 33.30 H new ATOM 0 HG3 PRO A 96 -12.710 1.500 15.039 1.00 33.30 H new ATOM 0 HD2 PRO A 96 -11.813 -0.282 13.185 1.00 24.23 H new ATOM 0 HD3 PRO A 96 -12.044 1.410 12.791 1.00 24.23 H new ATOM 1230 N ALA A 97 -7.332 0.952 15.550 1.00 44.23 N ATOM 1231 CA ALA A 97 -6.404 0.116 16.300 1.00 23.45 C ATOM 1232 C ALA A 97 -6.029 0.766 17.628 1.00 71.11 C ATOM 1233 O ALA A 97 -5.385 1.815 17.656 1.00 22.44 O ATOM 1234 CB ALA A 97 -5.156 -0.160 15.475 1.00 23.40 C ATOM 0 H ALA A 97 -6.955 1.859 15.274 1.00 44.23 H new ATOM 0 HA ALA A 97 -6.900 -0.830 16.516 1.00 23.45 H new ATOM 0 HB1 ALA A 97 -4.472 -0.786 16.048 1.00 23.40 H new ATOM 0 HB2 ALA A 97 -5.434 -0.675 14.555 1.00 23.40 H new ATOM 0 HB3 ALA A 97 -4.666 0.782 15.229 1.00 23.40 H new ATOM 1240 N ASP A 98 -6.437 0.138 18.725 1.00 72.30 N ATOM 1241 CA ASP A 98 -6.144 0.655 20.056 1.00 0.34 C ATOM 1242 C ASP A 98 -5.435 -0.396 20.904 1.00 31.23 C ATOM 1243 O ASP A 98 -5.792 -0.620 22.060 1.00 1.12 O ATOM 1244 CB ASP A 98 -7.433 1.102 20.748 1.00 4.43 C ATOM 1245 CG ASP A 98 -7.241 2.361 21.571 1.00 12.04 C ATOM 1246 OD1 ASP A 98 -6.091 2.639 21.972 1.00 52.32 O ATOM 1247 OD2 ASP A 98 -8.241 3.068 21.815 1.00 51.25 O ATOM 0 H ASP A 98 -6.972 -0.730 18.719 1.00 72.30 H new ATOM 0 HA ASP A 98 -5.482 1.514 19.947 1.00 0.34 H new ATOM 0 HB2 ASP A 98 -8.204 1.276 19.997 1.00 4.43 H new ATOM 0 HB3 ASP A 98 -7.792 0.301 21.394 1.00 4.43 H new ATOM 1252 N GLY A 99 -4.429 -1.040 20.320 1.00 22.15 N ATOM 1253 CA GLY A 99 -3.687 -2.061 21.036 1.00 23.34 C ATOM 1254 C GLY A 99 -4.481 -3.341 21.210 1.00 43.15 C ATOM 1255 O GLY A 99 -3.916 -4.395 21.501 1.00 61.32 O ATOM 0 H GLY A 99 -4.115 -0.873 19.364 1.00 22.15 H new ATOM 0 HA2 GLY A 99 -2.765 -2.280 20.498 1.00 23.34 H new ATOM 0 HA3 GLY A 99 -3.402 -1.678 22.016 1.00 23.34 H new ATOM 1259 N ASP A 100 -5.794 -3.249 21.032 1.00 41.22 N ATOM 1260 CA ASP A 100 -6.667 -4.408 21.171 1.00 74.32 C ATOM 1261 C ASP A 100 -6.943 -5.047 19.813 1.00 12.21 C ATOM 1262 O ASP A 100 -6.541 -6.181 19.556 1.00 51.43 O ATOM 1263 CB ASP A 100 -7.984 -4.005 21.835 1.00 15.45 C ATOM 1264 CG ASP A 100 -8.339 -4.898 23.008 1.00 60.01 C ATOM 1265 OD1 ASP A 100 -7.422 -5.267 23.772 1.00 52.31 O ATOM 1266 OD2 ASP A 100 -9.533 -5.228 23.162 1.00 53.10 O ATOM 0 H ASP A 100 -6.277 -2.384 20.791 1.00 41.22 H new ATOM 0 HA ASP A 100 -6.160 -5.139 21.801 1.00 74.32 H new ATOM 0 HB2 ASP A 100 -7.914 -2.972 22.177 1.00 15.45 H new ATOM 0 HB3 ASP A 100 -8.786 -4.043 21.098 1.00 15.45 H new ATOM 1271 N GLY A 101 -7.633 -4.310 18.947 1.00 34.35 N ATOM 1272 CA GLY A 101 -7.952 -4.822 17.627 1.00 14.53 C ATOM 1273 C GLY A 101 -9.377 -5.332 17.532 1.00 44.44 C ATOM 1274 O GLY A 101 -9.697 -6.138 16.660 1.00 53.04 O ATOM 0 H GLY A 101 -7.976 -3.368 19.136 1.00 34.35 H new ATOM 0 HA2 GLY A 101 -7.801 -4.034 16.889 1.00 14.53 H new ATOM 0 HA3 GLY A 101 -7.263 -5.629 17.377 1.00 14.53 H new ATOM 1278 N GLY A 102 -10.234 -4.862 18.433 1.00 40.53 N ATOM 1279 CA GLY A 102 -11.621 -5.288 18.430 1.00 52.22 C ATOM 1280 C GLY A 102 -12.089 -5.748 19.796 1.00 30.40 C ATOM 1281 O GLY A 102 -13.256 -5.581 20.149 1.00 74.14 O ATOM 0 H GLY A 102 -9.992 -4.194 19.165 1.00 40.53 H new ATOM 0 HA2 GLY A 102 -12.250 -4.464 18.092 1.00 52.22 H new ATOM 0 HA3 GLY A 102 -11.747 -6.100 17.714 1.00 52.22 H new