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 Set 1.1: A 84 HIS : no HD1:sc= -0.388 X(o=-7.7,f=-7.5) USER MOD Set 1.2: A 94 THR OG1 : rot -150:sc= -7.32! USER MOD Set 2.1: A 60 THR OG1 : rot 62:sc= 2.01 USER MOD Set 2.2: A 69 TYR OH : rot 180:sc= 0.594 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 -150:sc= -0.286 USER MOD Single : A 19 ASN : amide:sc= -0.0214 X(o=-0.021,f=0) USER MOD Single : A 21 TYR OH : rot -104:sc= 1.87 USER MOD Single : A 23 GLN : amide:sc= -2 K(o=-2,f=-5) USER MOD Single : A 26 MET CE :methyl -114:sc= -1.39 (180deg=-5.95!) USER MOD Single : A 35 THR OG1 : rot 150:sc= -4.81! USER MOD Single : A 48 GLN : amide:sc= -2.02 K(o=-2,f=-3.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00968 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -45:sc= -2.87! USER MOD Single : A 79 THR OG1 : rot 4:sc= 0.908! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 2.163 0.011 -1.223 1.00 1.45 N ATOM 2 CA ASP A 11 1.878 -1.038 -0.251 1.00 22.11 C ATOM 3 C ASP A 11 0.555 -1.727 -0.568 1.00 33.32 C ATOM 4 O ASP A 11 0.187 -2.712 0.073 1.00 60.31 O ATOM 5 CB ASP A 11 1.839 -0.456 1.163 1.00 32.51 C ATOM 6 CG ASP A 11 3.034 0.428 1.459 1.00 40.12 C ATOM 7 OD1 ASP A 11 4.098 0.214 0.841 1.00 42.21 O ATOM 8 OD2 ASP A 11 2.905 1.335 2.307 1.00 20.24 O ATOM 0 HA ASP A 11 2.675 -1.779 -0.308 1.00 22.11 H new ATOM 0 HB2 ASP A 11 0.923 0.122 1.290 1.00 32.51 H new ATOM 0 HB3 ASP A 11 1.805 -1.270 1.887 1.00 32.51 H new ATOM 13 N TYR A 12 -0.157 -1.202 -1.559 1.00 31.40 N ATOM 14 CA TYR A 12 -1.442 -1.765 -1.959 1.00 4.24 C ATOM 15 C TYR A 12 -1.270 -2.749 -3.112 1.00 54.51 C ATOM 16 O TYR A 12 -0.151 -3.043 -3.531 1.00 43.51 O ATOM 17 CB TYR A 12 -2.407 -0.649 -2.364 1.00 25.31 C ATOM 18 CG TYR A 12 -1.744 0.480 -3.121 1.00 24.55 C ATOM 19 CD1 TYR A 12 -1.621 0.437 -4.504 1.00 4.33 C ATOM 20 CD2 TYR A 12 -1.241 1.589 -2.452 1.00 11.12 C ATOM 21 CE1 TYR A 12 -1.015 1.466 -5.199 1.00 0.03 C ATOM 22 CE2 TYR A 12 -0.635 2.623 -3.139 1.00 12.32 C ATOM 23 CZ TYR A 12 -0.524 2.557 -4.512 1.00 31.10 C ATOM 24 OH TYR A 12 0.079 3.584 -5.201 1.00 14.42 O ATOM 0 H TYR A 12 0.133 -0.388 -2.100 1.00 31.40 H new ATOM 0 HA TYR A 12 -1.857 -2.302 -1.106 1.00 4.24 H new ATOM 0 HB2 TYR A 12 -3.200 -1.072 -2.980 1.00 25.31 H new ATOM 0 HB3 TYR A 12 -2.880 -0.246 -1.468 1.00 25.31 H new ATOM 0 HD1 TYR A 12 -2.005 -0.415 -5.045 1.00 4.33 H new ATOM 0 HD2 TYR A 12 -1.325 1.644 -1.377 1.00 11.12 H new ATOM 0 HE1 TYR A 12 -0.926 1.417 -6.274 1.00 0.03 H new ATOM 0 HE2 TYR A 12 -0.250 3.478 -2.604 1.00 12.32 H new ATOM 0 HH TYR A 12 0.368 4.276 -4.570 1.00 14.42 H new ATOM 34 N ASP A 13 -2.389 -3.253 -3.621 1.00 62.32 N ATOM 35 CA ASP A 13 -2.365 -4.203 -4.728 1.00 3.13 C ATOM 36 C ASP A 13 -3.111 -3.647 -5.937 1.00 24.21 C ATOM 37 O ASP A 13 -2.766 -3.944 -7.081 1.00 61.31 O ATOM 38 CB ASP A 13 -2.984 -5.534 -4.299 1.00 25.22 C ATOM 39 CG ASP A 13 -2.910 -6.585 -5.389 1.00 45.02 C ATOM 40 OD1 ASP A 13 -1.874 -6.647 -6.084 1.00 64.42 O ATOM 41 OD2 ASP A 13 -3.887 -7.345 -5.547 1.00 31.51 O ATOM 0 H ASP A 13 -3.324 -3.020 -3.285 1.00 62.32 H new ATOM 0 HA ASP A 13 -1.325 -4.369 -5.010 1.00 3.13 H new ATOM 0 HB2 ASP A 13 -2.471 -5.900 -3.410 1.00 25.22 H new ATOM 0 HB3 ASP A 13 -4.026 -5.374 -4.022 1.00 25.22 H new ATOM 46 N ILE A 14 -4.134 -2.841 -5.675 1.00 43.23 N ATOM 47 CA ILE A 14 -4.928 -2.244 -6.742 1.00 63.21 C ATOM 48 C ILE A 14 -4.523 -0.794 -6.983 1.00 13.31 C ATOM 49 O ILE A 14 -4.478 0.025 -6.064 1.00 61.23 O ATOM 50 CB ILE A 14 -6.433 -2.299 -6.422 1.00 31.33 C ATOM 51 CG1 ILE A 14 -7.222 -1.462 -7.430 1.00 74.24 C ATOM 52 CG2 ILE A 14 -6.691 -1.812 -5.004 1.00 0.13 C ATOM 53 CD1 ILE A 14 -8.472 -2.147 -7.938 1.00 30.25 C ATOM 0 H ILE A 14 -4.433 -2.586 -4.734 1.00 43.23 H new ATOM 0 HA ILE A 14 -4.735 -2.827 -7.643 1.00 63.21 H new ATOM 0 HB ILE A 14 -6.768 -3.334 -6.497 1.00 31.33 H new ATOM 0 HG12 ILE A 14 -7.499 -0.516 -6.966 1.00 74.24 H new ATOM 0 HG13 ILE A 14 -6.578 -1.225 -8.277 1.00 74.24 H new ATOM 0 HG21 ILE A 14 -7.759 -1.857 -4.793 1.00 0.13 H new ATOM 0 HG22 ILE A 14 -6.155 -2.446 -4.298 1.00 0.13 H new ATOM 0 HG23 ILE A 14 -6.344 -0.784 -4.904 1.00 0.13 H new ATOM 0 HD11 ILE A 14 -8.981 -1.495 -8.648 1.00 30.25 H new ATOM 0 HD12 ILE A 14 -8.201 -3.080 -8.431 1.00 30.25 H new ATOM 0 HD13 ILE A 14 -9.136 -2.359 -7.100 1.00 30.25 H new ATOM 65 N PRO A 15 -4.224 -0.465 -8.248 1.00 62.34 N ATOM 66 CA PRO A 15 -3.820 0.888 -8.641 1.00 13.34 C ATOM 67 C PRO A 15 -4.971 1.885 -8.551 1.00 3.12 C ATOM 68 O PRO A 15 -4.923 2.961 -9.149 1.00 21.42 O ATOM 69 CB PRO A 15 -3.373 0.718 -10.095 1.00 22.25 C ATOM 70 CG PRO A 15 -4.115 -0.478 -10.582 1.00 32.45 C ATOM 71 CD PRO A 15 -4.257 -1.390 -9.394 1.00 5.00 C ATOM 0 HA PRO A 15 -3.045 1.288 -7.987 1.00 13.34 H new ATOM 0 HB2 PRO A 15 -3.612 1.601 -10.688 1.00 22.25 H new ATOM 0 HB3 PRO A 15 -2.295 0.570 -10.163 1.00 22.25 H new ATOM 0 HG2 PRO A 15 -5.091 -0.197 -10.977 1.00 32.45 H new ATOM 0 HG3 PRO A 15 -3.574 -0.971 -11.390 1.00 32.45 H new ATOM 0 HD2 PRO A 15 -5.189 -1.953 -9.429 1.00 5.00 H new ATOM 0 HD3 PRO A 15 -3.447 -2.118 -9.347 1.00 5.00 H new ATOM 79 N THR A 16 -6.005 1.522 -7.799 1.00 74.31 N ATOM 80 CA THR A 16 -7.168 2.384 -7.632 1.00 35.24 C ATOM 81 C THR A 16 -7.658 2.372 -6.188 1.00 1.31 C ATOM 82 O THR A 16 -8.862 2.365 -5.929 1.00 40.11 O ATOM 83 CB THR A 16 -8.323 1.955 -8.557 1.00 12.34 C ATOM 84 OG1 THR A 16 -7.820 1.145 -9.625 1.00 14.02 O ATOM 85 CG2 THR A 16 -9.038 3.170 -9.128 1.00 40.42 C ATOM 0 H THR A 16 -6.061 0.637 -7.296 1.00 74.31 H new ATOM 0 HA THR A 16 -6.854 3.393 -7.899 1.00 35.24 H new ATOM 0 HB THR A 16 -9.036 1.377 -7.968 1.00 12.34 H new ATOM 0 HG1 THR A 16 -8.560 0.875 -10.207 1.00 14.02 H new ATOM 0 HG21 THR A 16 -9.849 2.843 -9.778 1.00 40.42 H new ATOM 0 HG22 THR A 16 -9.445 3.769 -8.313 1.00 40.42 H new ATOM 0 HG23 THR A 16 -8.333 3.770 -9.703 1.00 40.42 H new ATOM 93 N THR A 17 -6.717 2.371 -5.249 1.00 0.33 N ATOM 94 CA THR A 17 -7.053 2.360 -3.831 1.00 4.44 C ATOM 95 C THR A 17 -7.598 3.712 -3.384 1.00 42.11 C ATOM 96 O THR A 17 -7.939 4.557 -4.211 1.00 12.01 O ATOM 97 CB THR A 17 -5.829 2.002 -2.966 1.00 42.34 C ATOM 98 OG1 THR A 17 -4.829 3.020 -3.088 1.00 64.20 O ATOM 99 CG2 THR A 17 -5.247 0.660 -3.382 1.00 61.31 C ATOM 0 H THR A 17 -5.716 2.378 -5.445 1.00 0.33 H new ATOM 0 HA THR A 17 -7.821 1.598 -3.695 1.00 4.44 H new ATOM 0 HB THR A 17 -6.153 1.934 -1.927 1.00 42.34 H new ATOM 0 HG1 THR A 17 -3.941 2.622 -2.969 1.00 64.20 H new ATOM 0 HG21 THR A 17 -4.384 0.428 -2.758 1.00 61.31 H new ATOM 0 HG22 THR A 17 -6.002 -0.117 -3.261 1.00 61.31 H new ATOM 0 HG23 THR A 17 -4.937 0.706 -4.426 1.00 61.31 H new ATOM 107 N GLU A 18 -7.676 3.909 -2.072 1.00 2.52 N ATOM 108 CA GLU A 18 -8.180 5.160 -1.517 1.00 11.13 C ATOM 109 C GLU A 18 -7.259 5.677 -0.415 1.00 34.32 C ATOM 110 O GLU A 18 -6.362 6.479 -0.667 1.00 50.41 O ATOM 111 CB GLU A 18 -9.594 4.966 -0.965 1.00 71.44 C ATOM 112 CG GLU A 18 -10.640 4.729 -2.042 1.00 22.40 C ATOM 113 CD GLU A 18 -11.966 5.392 -1.723 1.00 62.25 C ATOM 114 OE1 GLU A 18 -12.203 5.706 -0.539 1.00 32.14 O ATOM 115 OE2 GLU A 18 -12.766 5.597 -2.660 1.00 61.23 O ATOM 0 H GLU A 18 -7.397 3.219 -1.374 1.00 2.52 H new ATOM 0 HA GLU A 18 -8.208 5.898 -2.319 1.00 11.13 H new ATOM 0 HB2 GLU A 18 -9.594 4.120 -0.278 1.00 71.44 H new ATOM 0 HB3 GLU A 18 -9.873 5.847 -0.386 1.00 71.44 H new ATOM 0 HG2 GLU A 18 -10.268 5.108 -2.994 1.00 22.40 H new ATOM 0 HG3 GLU A 18 -10.794 3.657 -2.164 1.00 22.40 H new ATOM 122 N ASN A 19 -7.490 5.210 0.808 1.00 20.10 N ATOM 123 CA ASN A 19 -6.683 5.625 1.949 1.00 4.04 C ATOM 124 C ASN A 19 -5.313 4.952 1.921 1.00 55.53 C ATOM 125 O ASN A 19 -4.528 5.078 2.861 1.00 42.40 O ATOM 126 CB ASN A 19 -7.401 5.289 3.258 1.00 41.01 C ATOM 127 CG ASN A 19 -8.549 6.236 3.547 1.00 53.52 C ATOM 128 OD1 ASN A 19 -9.710 5.829 3.587 1.00 71.42 O ATOM 129 ND2 ASN A 19 -8.229 7.509 3.750 1.00 52.23 N ATOM 0 H ASN A 19 -8.229 4.544 1.034 1.00 20.10 H new ATOM 0 HA ASN A 19 -6.540 6.704 1.887 1.00 4.04 H new ATOM 0 HB2 ASN A 19 -7.779 4.268 3.210 1.00 41.01 H new ATOM 0 HB3 ASN A 19 -6.687 5.326 4.081 1.00 41.01 H new ATOM 0 HD21 ASN A 19 -8.959 8.193 3.948 1.00 52.23 H new ATOM 0 HD22 ASN A 19 -7.253 7.803 3.707 1.00 52.23 H new ATOM 136 N LEU A 20 -5.034 4.239 0.836 1.00 61.42 N ATOM 137 CA LEU A 20 -3.759 3.546 0.683 1.00 11.12 C ATOM 138 C LEU A 20 -2.748 4.422 -0.049 1.00 42.13 C ATOM 139 O LEU A 20 -1.560 4.421 0.275 1.00 30.40 O ATOM 140 CB LEU A 20 -3.957 2.233 -0.076 1.00 34.34 C ATOM 141 CG LEU A 20 -4.370 1.026 0.768 1.00 23.10 C ATOM 142 CD1 LEU A 20 -5.141 1.474 2.000 1.00 40.03 C ATOM 143 CD2 LEU A 20 -5.200 0.055 -0.059 1.00 43.34 C ATOM 0 H LEU A 20 -5.673 4.125 0.049 1.00 61.42 H new ATOM 0 HA LEU A 20 -3.371 3.328 1.678 1.00 11.12 H new ATOM 0 HB2 LEU A 20 -4.715 2.391 -0.844 1.00 34.34 H new ATOM 0 HB3 LEU A 20 -3.027 1.990 -0.591 1.00 34.34 H new ATOM 0 HG LEU A 20 -3.467 0.512 1.097 1.00 23.10 H new ATOM 0 HD11 LEU A 20 -5.426 0.602 2.588 1.00 40.03 H new ATOM 0 HD12 LEU A 20 -4.513 2.129 2.604 1.00 40.03 H new ATOM 0 HD13 LEU A 20 -6.037 2.013 1.692 1.00 40.03 H new ATOM 0 HD21 LEU A 20 -5.485 -0.797 0.558 1.00 43.34 H new ATOM 0 HD22 LEU A 20 -6.097 0.558 -0.419 1.00 43.34 H new ATOM 0 HD23 LEU A 20 -4.613 -0.293 -0.909 1.00 43.34 H new ATOM 155 N TYR A 21 -3.227 5.170 -1.037 1.00 1.43 N ATOM 156 CA TYR A 21 -2.365 6.051 -1.815 1.00 42.44 C ATOM 157 C TYR A 21 -1.996 7.298 -1.017 1.00 55.31 C ATOM 158 O TYR A 21 -1.167 8.101 -1.445 1.00 25.13 O ATOM 159 CB TYR A 21 -3.056 6.453 -3.120 1.00 4.02 C ATOM 160 CG TYR A 21 -3.815 7.757 -3.026 1.00 73.11 C ATOM 161 CD1 TYR A 21 -3.158 8.976 -3.141 1.00 34.00 C ATOM 162 CD2 TYR A 21 -5.189 7.770 -2.822 1.00 15.23 C ATOM 163 CE1 TYR A 21 -3.848 10.170 -3.055 1.00 71.13 C ATOM 164 CE2 TYR A 21 -5.887 8.959 -2.736 1.00 55.12 C ATOM 165 CZ TYR A 21 -5.212 10.156 -2.853 1.00 55.34 C ATOM 166 OH TYR A 21 -5.904 11.343 -2.767 1.00 70.15 O ATOM 0 H TYR A 21 -4.208 5.184 -1.318 1.00 1.43 H new ATOM 0 HA TYR A 21 -1.449 5.507 -2.048 1.00 42.44 H new ATOM 0 HB2 TYR A 21 -2.307 6.534 -3.908 1.00 4.02 H new ATOM 0 HB3 TYR A 21 -3.745 5.662 -3.415 1.00 4.02 H new ATOM 0 HD1 TYR A 21 -2.090 8.990 -3.300 1.00 34.00 H new ATOM 0 HD2 TYR A 21 -5.721 6.835 -2.729 1.00 15.23 H new ATOM 0 HE1 TYR A 21 -3.322 11.109 -3.145 1.00 71.13 H new ATOM 0 HE2 TYR A 21 -6.955 8.951 -2.578 1.00 55.12 H new ATOM 0 HH TYR A 21 -6.122 11.527 -1.830 1.00 70.15 H new ATOM 176 N PHE A 22 -2.620 7.453 0.146 1.00 2.42 N ATOM 177 CA PHE A 22 -2.359 8.602 1.006 1.00 10.10 C ATOM 178 C PHE A 22 -1.299 8.269 2.052 1.00 50.11 C ATOM 179 O PHE A 22 -0.596 9.153 2.540 1.00 11.14 O ATOM 180 CB PHE A 22 -3.648 9.053 1.696 1.00 74.32 C ATOM 181 CG PHE A 22 -4.264 10.274 1.076 1.00 53.40 C ATOM 182 CD1 PHE A 22 -3.518 11.428 0.897 1.00 20.10 C ATOM 183 CD2 PHE A 22 -5.590 10.269 0.673 1.00 40.32 C ATOM 184 CE1 PHE A 22 -4.082 12.554 0.327 1.00 64.23 C ATOM 185 CE2 PHE A 22 -6.159 11.392 0.102 1.00 62.14 C ATOM 186 CZ PHE A 22 -5.404 12.536 -0.071 1.00 31.14 C ATOM 0 H PHE A 22 -3.310 6.798 0.515 1.00 2.42 H new ATOM 0 HA PHE A 22 -1.986 9.414 0.382 1.00 10.10 H new ATOM 0 HB2 PHE A 22 -4.370 8.237 1.668 1.00 74.32 H new ATOM 0 HB3 PHE A 22 -3.437 9.256 2.746 1.00 74.32 H new ATOM 0 HD1 PHE A 22 -2.484 11.448 1.207 1.00 20.10 H new ATOM 0 HD2 PHE A 22 -6.185 9.378 0.807 1.00 40.32 H new ATOM 0 HE1 PHE A 22 -3.489 13.447 0.193 1.00 64.23 H new ATOM 0 HE2 PHE A 22 -7.193 11.375 -0.209 1.00 62.14 H new ATOM 0 HZ PHE A 22 -5.847 13.414 -0.517 1.00 31.14 H new ATOM 196 N GLN A 23 -1.192 6.988 2.390 1.00 42.20 N ATOM 197 CA GLN A 23 -0.219 6.538 3.379 1.00 41.54 C ATOM 198 C GLN A 23 1.155 6.350 2.744 1.00 72.43 C ATOM 199 O GLN A 23 2.182 6.515 3.401 1.00 34.40 O ATOM 200 CB GLN A 23 -0.681 5.230 4.021 1.00 31.43 C ATOM 201 CG GLN A 23 -1.554 5.430 5.250 1.00 61.13 C ATOM 202 CD GLN A 23 -2.913 4.773 5.113 1.00 32.34 C ATOM 203 OE1 GLN A 23 -3.047 3.722 4.485 1.00 14.13 O ATOM 204 NE2 GLN A 23 -3.931 5.389 5.703 1.00 41.12 N ATOM 0 H GLN A 23 -1.766 6.244 1.994 1.00 42.20 H new ATOM 0 HA GLN A 23 -0.141 7.304 4.150 1.00 41.54 H new ATOM 0 HB2 GLN A 23 -1.234 4.649 3.283 1.00 31.43 H new ATOM 0 HB3 GLN A 23 0.194 4.642 4.299 1.00 31.43 H new ATOM 0 HG2 GLN A 23 -1.044 5.023 6.123 1.00 61.13 H new ATOM 0 HG3 GLN A 23 -1.687 6.497 5.427 1.00 61.13 H new ATOM 0 HE21 GLN A 23 -3.775 6.258 6.213 1.00 41.12 H new ATOM 0 HE22 GLN A 23 -4.869 4.993 5.646 1.00 41.12 H new ATOM 213 N GLY A 24 1.166 6.002 1.460 1.00 33.13 N ATOM 214 CA GLY A 24 2.419 5.796 0.758 1.00 31.22 C ATOM 215 C GLY A 24 3.448 6.859 1.085 1.00 43.30 C ATOM 216 O GLY A 24 4.650 6.594 1.072 1.00 50.44 O ATOM 0 H GLY A 24 0.329 5.859 0.894 1.00 33.13 H new ATOM 0 HA2 GLY A 24 2.819 4.816 1.016 1.00 31.22 H new ATOM 0 HA3 GLY A 24 2.234 5.792 -0.316 1.00 31.22 H new ATOM 220 N ALA A 25 2.977 8.067 1.378 1.00 72.12 N ATOM 221 CA ALA A 25 3.865 9.174 1.710 1.00 70.04 C ATOM 222 C ALA A 25 4.358 9.070 3.149 1.00 62.22 C ATOM 223 O ALA A 25 5.562 9.037 3.401 1.00 21.52 O ATOM 224 CB ALA A 25 3.158 10.503 1.487 1.00 61.32 C ATOM 0 H ALA A 25 1.985 8.304 1.392 1.00 72.12 H new ATOM 0 HA ALA A 25 4.732 9.121 1.052 1.00 70.04 H new ATOM 0 HB1 ALA A 25 3.833 11.321 1.739 1.00 61.32 H new ATOM 0 HB2 ALA A 25 2.861 10.586 0.441 1.00 61.32 H new ATOM 0 HB3 ALA A 25 2.273 10.555 2.121 1.00 61.32 H new ATOM 230 N MET A 26 3.420 9.019 4.089 1.00 50.43 N ATOM 231 CA MET A 26 3.760 8.919 5.503 1.00 24.42 C ATOM 232 C MET A 26 4.452 7.593 5.803 1.00 65.45 C ATOM 233 O MET A 26 5.009 7.403 6.883 1.00 24.33 O ATOM 234 CB MET A 26 2.503 9.057 6.364 1.00 71.45 C ATOM 235 CG MET A 26 1.618 7.821 6.349 1.00 73.05 C ATOM 236 SD MET A 26 -0.065 8.165 6.897 1.00 51.41 S ATOM 237 CE MET A 26 -0.590 9.348 5.658 1.00 64.31 C ATOM 0 H MET A 26 2.419 9.045 3.897 1.00 50.43 H new ATOM 0 HA MET A 26 4.447 9.731 5.743 1.00 24.42 H new ATOM 0 HB2 MET A 26 2.798 9.270 7.391 1.00 71.45 H new ATOM 0 HB3 MET A 26 1.925 9.912 6.014 1.00 71.45 H new ATOM 0 HG2 MET A 26 1.591 7.411 5.339 1.00 73.05 H new ATOM 0 HG3 MET A 26 2.056 7.057 6.992 1.00 73.05 H new ATOM 0 HE1 MET A 26 -0.752 10.318 6.127 1.00 64.31 H new ATOM 0 HE2 MET A 26 0.181 9.439 4.893 1.00 64.31 H new ATOM 0 HE3 MET A 26 -1.518 9.007 5.200 1.00 64.31 H new ATOM 247 N ALA A 27 4.413 6.679 4.839 1.00 72.45 N ATOM 248 CA ALA A 27 5.038 5.371 4.999 1.00 54.50 C ATOM 249 C ALA A 27 6.377 5.310 4.273 1.00 41.41 C ATOM 250 O ALA A 27 6.830 4.237 3.874 1.00 51.33 O ATOM 251 CB ALA A 27 4.110 4.277 4.492 1.00 52.31 C ATOM 0 H ALA A 27 3.955 6.820 3.939 1.00 72.45 H new ATOM 0 HA ALA A 27 5.223 5.212 6.061 1.00 54.50 H new ATOM 0 HB1 ALA A 27 4.589 3.306 4.618 1.00 52.31 H new ATOM 0 HB2 ALA A 27 3.179 4.298 5.059 1.00 52.31 H new ATOM 0 HB3 ALA A 27 3.896 4.442 3.436 1.00 52.31 H new ATOM 257 N PHE A 28 7.007 6.468 4.104 1.00 13.51 N ATOM 258 CA PHE A 28 8.294 6.547 3.424 1.00 23.40 C ATOM 259 C PHE A 28 9.363 5.776 4.193 1.00 23.21 C ATOM 260 O PHE A 28 10.425 5.461 3.655 1.00 10.21 O ATOM 261 CB PHE A 28 8.721 8.007 3.261 1.00 71.14 C ATOM 262 CG PHE A 28 8.958 8.712 4.566 1.00 64.34 C ATOM 263 CD1 PHE A 28 10.039 8.374 5.364 1.00 44.02 C ATOM 264 CD2 PHE A 28 8.100 9.711 4.994 1.00 2.53 C ATOM 265 CE1 PHE A 28 10.261 9.021 6.565 1.00 21.21 C ATOM 266 CE2 PHE A 28 8.317 10.362 6.194 1.00 21.03 C ATOM 267 CZ PHE A 28 9.398 10.015 6.981 1.00 0.42 C ATOM 0 H PHE A 28 6.646 7.365 4.429 1.00 13.51 H new ATOM 0 HA PHE A 28 8.184 6.096 2.438 1.00 23.40 H new ATOM 0 HB2 PHE A 28 9.633 8.046 2.665 1.00 71.14 H new ATOM 0 HB3 PHE A 28 7.953 8.542 2.703 1.00 71.14 H new ATOM 0 HD1 PHE A 28 10.716 7.596 5.044 1.00 44.02 H new ATOM 0 HD2 PHE A 28 7.252 9.985 4.384 1.00 2.53 H new ATOM 0 HE1 PHE A 28 11.108 8.749 7.177 1.00 21.21 H new ATOM 0 HE2 PHE A 28 7.642 11.141 6.516 1.00 21.03 H new ATOM 0 HZ PHE A 28 9.568 10.521 7.920 1.00 0.42 H new ATOM 277 N ASP A 29 9.075 5.476 5.455 1.00 72.54 N ATOM 278 CA ASP A 29 10.010 4.741 6.299 1.00 41.21 C ATOM 279 C ASP A 29 9.265 3.863 7.299 1.00 30.10 C ATOM 280 O ASP A 29 9.611 2.699 7.497 1.00 4.25 O ATOM 281 CB ASP A 29 10.931 5.712 7.040 1.00 30.43 C ATOM 282 CG ASP A 29 11.787 5.017 8.081 1.00 70.41 C ATOM 283 OD1 ASP A 29 11.291 4.795 9.206 1.00 62.14 O ATOM 284 OD2 ASP A 29 12.952 4.694 7.770 1.00 24.32 O ATOM 0 H ASP A 29 8.201 5.731 5.916 1.00 72.54 H new ATOM 0 HA ASP A 29 10.613 4.098 5.658 1.00 41.21 H new ATOM 0 HB2 ASP A 29 11.576 6.217 6.321 1.00 30.43 H new ATOM 0 HB3 ASP A 29 10.329 6.482 7.523 1.00 30.43 H new ATOM 289 N GLY A 30 8.239 4.429 7.928 1.00 44.52 N ATOM 290 CA GLY A 30 7.462 3.684 8.901 1.00 44.12 C ATOM 291 C GLY A 30 6.872 2.414 8.321 1.00 22.11 C ATOM 292 O GLY A 30 6.477 1.513 9.060 1.00 64.41 O ATOM 0 H GLY A 30 7.932 5.391 7.781 1.00 44.52 H new ATOM 0 HA2 GLY A 30 8.096 3.431 9.751 1.00 44.12 H new ATOM 0 HA3 GLY A 30 6.658 4.315 9.279 1.00 44.12 H new ATOM 296 N GLU A 31 6.810 2.343 6.995 1.00 5.30 N ATOM 297 CA GLU A 31 6.261 1.174 6.318 1.00 43.52 C ATOM 298 C GLU A 31 7.121 -0.059 6.579 1.00 74.32 C ATOM 299 O GLU A 31 8.079 -0.326 5.854 1.00 45.30 O ATOM 300 CB GLU A 31 6.161 1.430 4.813 1.00 55.25 C ATOM 301 CG GLU A 31 5.928 0.170 3.995 1.00 11.44 C ATOM 302 CD GLU A 31 7.166 -0.271 3.239 1.00 31.33 C ATOM 303 OE1 GLU A 31 7.647 0.504 2.386 1.00 24.34 O ATOM 304 OE2 GLU A 31 7.653 -1.391 3.500 1.00 72.22 O ATOM 0 H GLU A 31 7.133 3.081 6.369 1.00 5.30 H new ATOM 0 HA GLU A 31 5.263 0.990 6.716 1.00 43.52 H new ATOM 0 HB2 GLU A 31 5.347 2.130 4.625 1.00 55.25 H new ATOM 0 HB3 GLU A 31 7.079 1.909 4.473 1.00 55.25 H new ATOM 0 HG2 GLU A 31 5.605 -0.634 4.657 1.00 11.44 H new ATOM 0 HG3 GLU A 31 5.118 0.345 3.287 1.00 11.44 H new ATOM 311 N ASP A 32 6.770 -0.808 7.619 1.00 40.32 N ATOM 312 CA ASP A 32 7.508 -2.014 7.976 1.00 11.33 C ATOM 313 C ASP A 32 6.751 -3.264 7.539 1.00 15.34 C ATOM 314 O ASP A 32 5.868 -3.199 6.684 1.00 2.42 O ATOM 315 CB ASP A 32 7.759 -2.055 9.484 1.00 30.44 C ATOM 316 CG ASP A 32 9.236 -2.074 9.825 1.00 21.31 C ATOM 317 OD1 ASP A 32 9.954 -1.142 9.407 1.00 51.42 O ATOM 318 OD2 ASP A 32 9.674 -3.021 10.511 1.00 63.21 O ATOM 0 H ASP A 32 5.979 -0.601 8.229 1.00 40.32 H new ATOM 0 HA ASP A 32 8.466 -1.992 7.456 1.00 11.33 H new ATOM 0 HB2 ASP A 32 7.293 -1.187 9.951 1.00 30.44 H new ATOM 0 HB3 ASP A 32 7.281 -2.939 9.905 1.00 30.44 H new ATOM 323 N GLU A 33 7.103 -4.400 8.132 1.00 33.40 N ATOM 324 CA GLU A 33 6.457 -5.665 7.802 1.00 72.32 C ATOM 325 C GLU A 33 5.846 -6.305 9.045 1.00 34.01 C ATOM 326 O GLU A 33 6.559 -6.706 9.965 1.00 14.11 O ATOM 327 CB GLU A 33 7.462 -6.625 7.163 1.00 64.42 C ATOM 328 CG GLU A 33 6.823 -7.659 6.251 1.00 54.31 C ATOM 329 CD GLU A 33 6.650 -7.156 4.831 1.00 60.24 C ATOM 330 OE1 GLU A 33 7.662 -7.079 4.102 1.00 33.13 O ATOM 331 OE2 GLU A 33 5.504 -6.840 4.448 1.00 44.04 O ATOM 0 H GLU A 33 7.831 -4.471 8.843 1.00 33.40 H new ATOM 0 HA GLU A 33 5.658 -5.460 7.090 1.00 72.32 H new ATOM 0 HB2 GLU A 33 8.189 -6.048 6.591 1.00 64.42 H new ATOM 0 HB3 GLU A 33 8.012 -7.139 7.951 1.00 64.42 H new ATOM 0 HG2 GLU A 33 7.438 -8.559 6.241 1.00 54.31 H new ATOM 0 HG3 GLU A 33 5.850 -7.942 6.654 1.00 54.31 H new ATOM 338 N VAL A 34 4.520 -6.397 9.065 1.00 14.53 N ATOM 339 CA VAL A 34 3.811 -6.987 10.194 1.00 22.43 C ATOM 340 C VAL A 34 3.608 -8.485 9.993 1.00 5.00 C ATOM 341 O VAL A 34 3.894 -9.024 8.923 1.00 55.31 O ATOM 342 CB VAL A 34 2.440 -6.319 10.409 1.00 61.24 C ATOM 343 CG1 VAL A 34 1.848 -6.732 11.747 1.00 32.43 C ATOM 344 CG2 VAL A 34 2.565 -4.806 10.316 1.00 42.11 C ATOM 0 H VAL A 34 3.915 -6.070 8.312 1.00 14.53 H new ATOM 0 HA VAL A 34 4.429 -6.821 11.076 1.00 22.43 H new ATOM 0 HB VAL A 34 1.765 -6.654 9.622 1.00 61.24 H new ATOM 0 HG11 VAL A 34 0.880 -6.250 11.881 1.00 32.43 H new ATOM 0 HG12 VAL A 34 1.721 -7.814 11.770 1.00 32.43 H new ATOM 0 HG13 VAL A 34 2.519 -6.428 12.551 1.00 32.43 H new ATOM 0 HG21 VAL A 34 1.587 -4.350 10.470 1.00 42.11 H new ATOM 0 HG22 VAL A 34 3.256 -4.450 11.080 1.00 42.11 H new ATOM 0 HG23 VAL A 34 2.942 -4.532 9.331 1.00 42.11 H new ATOM 354 N THR A 35 3.113 -9.154 11.030 1.00 62.35 N ATOM 355 CA THR A 35 2.872 -10.590 10.968 1.00 64.35 C ATOM 356 C THR A 35 1.465 -10.891 10.465 1.00 40.43 C ATOM 357 O THR A 35 1.285 -11.635 9.502 1.00 31.32 O ATOM 358 CB THR A 35 3.065 -11.252 12.345 1.00 64.31 C ATOM 359 OG1 THR A 35 2.027 -10.836 13.238 1.00 12.35 O ATOM 360 CG2 THR A 35 4.422 -10.893 12.933 1.00 54.21 C ATOM 0 H THR A 35 2.871 -8.724 11.923 1.00 62.35 H new ATOM 0 HA THR A 35 3.600 -11.002 10.269 1.00 64.35 H new ATOM 0 HB THR A 35 3.019 -12.333 12.214 1.00 64.31 H new ATOM 0 HG1 THR A 35 1.847 -11.549 13.886 1.00 12.35 H new ATOM 0 HG21 THR A 35 4.535 -11.372 13.906 1.00 54.21 H new ATOM 0 HG22 THR A 35 5.211 -11.238 12.264 1.00 54.21 H new ATOM 0 HG23 THR A 35 4.493 -9.812 13.051 1.00 54.21 H new ATOM 368 N GLY A 36 0.469 -10.305 11.123 1.00 72.23 N ATOM 369 CA GLY A 36 -0.910 -10.522 10.727 1.00 74.41 C ATOM 370 C GLY A 36 -1.896 -9.871 11.677 1.00 43.23 C ATOM 371 O GLY A 36 -2.628 -8.951 11.311 1.00 70.22 O ATOM 0 H GLY A 36 0.593 -9.684 11.923 1.00 72.23 H new ATOM 0 HA2 GLY A 36 -1.063 -10.127 9.723 1.00 74.41 H new ATOM 0 HA3 GLY A 36 -1.107 -11.593 10.681 1.00 74.41 H new ATOM 375 N PRO A 37 -1.924 -10.352 12.928 1.00 23.04 N ATOM 376 CA PRO A 37 -2.823 -9.825 13.959 1.00 34.40 C ATOM 377 C PRO A 37 -2.435 -8.419 14.404 1.00 75.43 C ATOM 378 O PRO A 37 -1.294 -7.994 14.224 1.00 13.10 O ATOM 379 CB PRO A 37 -2.658 -10.816 15.114 1.00 31.30 C ATOM 380 CG PRO A 37 -1.302 -11.401 14.920 1.00 4.15 C ATOM 381 CD PRO A 37 -1.079 -11.447 13.434 1.00 2.01 C ATOM 0 HA PRO A 37 -3.848 -9.736 13.599 1.00 34.40 H new ATOM 0 HB2 PRO A 37 -2.739 -10.316 16.079 1.00 31.30 H new ATOM 0 HB3 PRO A 37 -3.429 -11.586 15.088 1.00 31.30 H new ATOM 0 HG2 PRO A 37 -0.541 -10.793 15.410 1.00 4.15 H new ATOM 0 HG3 PRO A 37 -1.242 -12.399 15.355 1.00 4.15 H new ATOM 0 HD2 PRO A 37 -0.030 -11.295 13.180 1.00 2.01 H new ATOM 0 HD3 PRO A 37 -1.373 -12.409 13.013 1.00 2.01 H new ATOM 389 N ASP A 38 -3.391 -7.703 14.985 1.00 74.01 N ATOM 390 CA ASP A 38 -3.149 -6.345 15.457 1.00 0.30 C ATOM 391 C ASP A 38 -2.057 -6.326 16.522 1.00 33.44 C ATOM 392 O ASP A 38 -1.340 -5.338 16.673 1.00 13.25 O ATOM 393 CB ASP A 38 -4.437 -5.740 16.018 1.00 3.51 C ATOM 394 CG ASP A 38 -4.178 -4.806 17.184 1.00 45.42 C ATOM 395 OD1 ASP A 38 -3.450 -3.808 16.995 1.00 52.11 O ATOM 396 OD2 ASP A 38 -4.703 -5.072 18.285 1.00 43.22 O ATOM 0 H ASP A 38 -4.341 -8.040 15.140 1.00 74.01 H new ATOM 0 HA ASP A 38 -2.815 -5.746 14.610 1.00 0.30 H new ATOM 0 HB2 ASP A 38 -4.953 -5.195 15.228 1.00 3.51 H new ATOM 0 HB3 ASP A 38 -5.102 -6.542 16.339 1.00 3.51 H new ATOM 401 N ALA A 39 -1.938 -7.426 17.259 1.00 33.03 N ATOM 402 CA ALA A 39 -0.934 -7.537 18.310 1.00 40.51 C ATOM 403 C ALA A 39 0.461 -7.243 17.769 1.00 41.42 C ATOM 404 O ALA A 39 1.295 -6.658 18.461 1.00 62.44 O ATOM 405 CB ALA A 39 -0.978 -8.922 18.938 1.00 5.41 C ATOM 0 H ALA A 39 -2.525 -8.253 17.147 1.00 33.03 H new ATOM 0 HA ALA A 39 -1.162 -6.796 19.076 1.00 40.51 H new ATOM 0 HB1 ALA A 39 -0.223 -8.991 19.721 1.00 5.41 H new ATOM 0 HB2 ALA A 39 -1.964 -9.095 19.369 1.00 5.41 H new ATOM 0 HB3 ALA A 39 -0.778 -9.674 18.175 1.00 5.41 H new ATOM 411 N ASP A 40 0.708 -7.652 16.529 1.00 10.43 N ATOM 412 CA ASP A 40 2.003 -7.432 15.895 1.00 14.41 C ATOM 413 C ASP A 40 2.064 -6.051 15.250 1.00 40.32 C ATOM 414 O ASP A 40 3.136 -5.457 15.131 1.00 21.24 O ATOM 415 CB ASP A 40 2.270 -8.511 14.845 1.00 23.23 C ATOM 416 CG ASP A 40 3.111 -9.650 15.388 1.00 71.44 C ATOM 417 OD1 ASP A 40 4.349 -9.500 15.444 1.00 5.53 O ATOM 418 OD2 ASP A 40 2.530 -10.692 15.756 1.00 21.51 O ATOM 0 H ASP A 40 0.029 -8.138 15.943 1.00 10.43 H new ATOM 0 HA ASP A 40 2.772 -7.488 16.666 1.00 14.41 H new ATOM 0 HB2 ASP A 40 1.320 -8.905 14.483 1.00 23.23 H new ATOM 0 HB3 ASP A 40 2.777 -8.064 13.990 1.00 23.23 H new ATOM 423 N ARG A 41 0.907 -5.546 14.833 1.00 3.13 N ATOM 424 CA ARG A 41 0.830 -4.236 14.198 1.00 60.02 C ATOM 425 C ARG A 41 1.003 -3.122 15.226 1.00 52.20 C ATOM 426 O ARG A 41 1.703 -2.140 14.980 1.00 24.44 O ATOM 427 CB ARG A 41 -0.509 -4.074 13.475 1.00 25.50 C ATOM 428 CG ARG A 41 -1.560 -3.346 14.296 1.00 31.41 C ATOM 429 CD ARG A 41 -2.919 -3.379 13.615 1.00 14.22 C ATOM 430 NE ARG A 41 -3.589 -2.082 13.668 1.00 31.00 N ATOM 431 CZ ARG A 41 -4.905 -1.930 13.567 1.00 2.30 C ATOM 432 NH1 ARG A 41 -5.688 -2.988 13.409 1.00 2.12 N ATOM 433 NH2 ARG A 41 -5.440 -0.717 13.624 1.00 1.24 N ATOM 0 H ARG A 41 0.011 -6.024 14.924 1.00 3.13 H new ATOM 0 HA ARG A 41 1.639 -4.165 13.471 1.00 60.02 H new ATOM 0 HB2 ARG A 41 -0.346 -3.530 12.544 1.00 25.50 H new ATOM 0 HB3 ARG A 41 -0.889 -5.060 13.206 1.00 25.50 H new ATOM 0 HG2 ARG A 41 -1.635 -3.804 15.282 1.00 31.41 H new ATOM 0 HG3 ARG A 41 -1.253 -2.311 14.448 1.00 31.41 H new ATOM 0 HD2 ARG A 41 -2.796 -3.681 12.575 1.00 14.22 H new ATOM 0 HD3 ARG A 41 -3.546 -4.131 14.094 1.00 14.22 H new ATOM 0 HE ARG A 41 -3.015 -1.247 13.789 1.00 31.00 H new ATOM 0 HH11 ARG A 41 -5.280 -3.922 13.365 1.00 2.12 H new ATOM 0 HH12 ARG A 41 -6.698 -2.868 13.332 1.00 2.12 H new ATOM 0 HH21 ARG A 41 -4.841 0.099 13.745 1.00 1.24 H new ATOM 0 HH22 ARG A 41 -6.450 -0.601 13.546 1.00 1.24 H new ATOM 447 N ALA A 42 0.359 -3.281 16.378 1.00 72.35 N ATOM 448 CA ALA A 42 0.442 -2.290 17.443 1.00 24.21 C ATOM 449 C ALA A 42 1.827 -2.286 18.081 1.00 2.14 C ATOM 450 O ALA A 42 2.323 -1.241 18.505 1.00 74.42 O ATOM 451 CB ALA A 42 -0.625 -2.555 18.495 1.00 41.32 C ATOM 0 H ALA A 42 -0.226 -4.087 16.597 1.00 72.35 H new ATOM 0 HA ALA A 42 0.269 -1.307 17.006 1.00 24.21 H new ATOM 0 HB1 ALA A 42 -0.551 -1.807 19.285 1.00 41.32 H new ATOM 0 HB2 ALA A 42 -1.611 -2.500 18.035 1.00 41.32 H new ATOM 0 HB3 ALA A 42 -0.478 -3.548 18.921 1.00 41.32 H new ATOM 457 N ARG A 43 2.447 -3.460 18.148 1.00 53.21 N ATOM 458 CA ARG A 43 3.774 -3.591 18.737 1.00 70.03 C ATOM 459 C ARG A 43 4.852 -3.155 17.749 1.00 4.21 C ATOM 460 O ARG A 43 5.803 -2.466 18.117 1.00 1.25 O ATOM 461 CB ARG A 43 4.021 -5.036 19.173 1.00 62.44 C ATOM 462 CG ARG A 43 3.984 -6.033 18.026 1.00 74.30 C ATOM 463 CD ARG A 43 5.374 -6.291 17.466 1.00 53.33 C ATOM 464 NE ARG A 43 5.760 -7.694 17.583 1.00 72.30 N ATOM 465 CZ ARG A 43 6.308 -8.217 18.674 1.00 2.12 C ATOM 466 NH1 ARG A 43 6.533 -7.456 19.736 1.00 22.25 N ATOM 467 NH2 ARG A 43 6.632 -9.503 18.704 1.00 21.34 N ATOM 0 H ARG A 43 2.051 -4.334 17.802 1.00 53.21 H new ATOM 0 HA ARG A 43 3.822 -2.942 19.611 1.00 70.03 H new ATOM 0 HB2 ARG A 43 4.992 -5.097 19.665 1.00 62.44 H new ATOM 0 HB3 ARG A 43 3.271 -5.317 19.912 1.00 62.44 H new ATOM 0 HG2 ARG A 43 3.550 -6.971 18.372 1.00 74.30 H new ATOM 0 HG3 ARG A 43 3.336 -5.655 17.235 1.00 74.30 H new ATOM 0 HD2 ARG A 43 5.403 -5.993 16.418 1.00 53.33 H new ATOM 0 HD3 ARG A 43 6.098 -5.671 17.994 1.00 53.33 H new ATOM 0 HE ARG A 43 5.600 -8.306 16.783 1.00 72.30 H new ATOM 0 HH11 ARG A 43 6.285 -6.467 19.716 1.00 22.25 H new ATOM 0 HH12 ARG A 43 6.954 -7.860 20.573 1.00 22.25 H new ATOM 0 HH21 ARG A 43 6.460 -10.091 17.889 1.00 21.34 H new ATOM 0 HH22 ARG A 43 7.053 -9.903 19.542 1.00 21.34 H new ATOM 481 N ALA A 44 4.697 -3.562 16.494 1.00 42.35 N ATOM 482 CA ALA A 44 5.656 -3.212 15.453 1.00 2.11 C ATOM 483 C ALA A 44 5.494 -1.758 15.024 1.00 44.42 C ATOM 484 O ALA A 44 6.414 -0.953 15.166 1.00 3.30 O ATOM 485 CB ALA A 44 5.498 -4.138 14.256 1.00 31.14 C ATOM 0 H ALA A 44 3.916 -4.135 16.173 1.00 42.35 H new ATOM 0 HA ALA A 44 6.659 -3.333 15.862 1.00 2.11 H new ATOM 0 HB1 ALA A 44 6.220 -3.865 13.487 1.00 31.14 H new ATOM 0 HB2 ALA A 44 5.672 -5.168 14.567 1.00 31.14 H new ATOM 0 HB3 ALA A 44 4.489 -4.045 13.855 1.00 31.14 H new ATOM 491 N ALA A 45 4.319 -1.428 14.497 1.00 24.05 N ATOM 492 CA ALA A 45 4.037 -0.070 14.049 1.00 62.23 C ATOM 493 C ALA A 45 4.371 0.947 15.135 1.00 54.25 C ATOM 494 O ALA A 45 4.621 2.117 14.846 1.00 1.03 O ATOM 495 CB ALA A 45 2.579 0.056 13.634 1.00 13.21 C ATOM 0 H ALA A 45 3.547 -2.083 14.370 1.00 24.05 H new ATOM 0 HA ALA A 45 4.668 0.140 13.186 1.00 62.23 H new ATOM 0 HB1 ALA A 45 2.382 1.075 13.302 1.00 13.21 H new ATOM 0 HB2 ALA A 45 2.371 -0.638 12.819 1.00 13.21 H new ATOM 0 HB3 ALA A 45 1.937 -0.179 14.483 1.00 13.21 H new ATOM 501 N ALA A 46 4.371 0.494 16.384 1.00 70.22 N ATOM 502 CA ALA A 46 4.675 1.365 17.512 1.00 32.34 C ATOM 503 C ALA A 46 5.987 2.109 17.294 1.00 45.35 C ATOM 504 O ALA A 46 6.001 3.329 17.130 1.00 50.35 O ATOM 505 CB ALA A 46 4.732 0.558 18.801 1.00 30.02 C ATOM 0 H ALA A 46 4.164 -0.471 16.640 1.00 70.22 H new ATOM 0 HA ALA A 46 3.878 2.104 17.593 1.00 32.34 H new ATOM 0 HB1 ALA A 46 4.960 1.221 19.636 1.00 30.02 H new ATOM 0 HB2 ALA A 46 3.769 0.077 18.972 1.00 30.02 H new ATOM 0 HB3 ALA A 46 5.508 -0.203 18.720 1.00 30.02 H new ATOM 511 N VAL A 47 7.090 1.367 17.293 1.00 44.32 N ATOM 512 CA VAL A 47 8.409 1.957 17.094 1.00 53.54 C ATOM 513 C VAL A 47 9.001 1.539 15.753 1.00 42.03 C ATOM 514 O VAL A 47 9.882 2.210 15.217 1.00 44.24 O ATOM 515 CB VAL A 47 9.380 1.555 18.220 1.00 53.15 C ATOM 516 CG1 VAL A 47 10.694 2.309 18.086 1.00 11.24 C ATOM 517 CG2 VAL A 47 8.748 1.804 19.581 1.00 24.31 C ATOM 0 H VAL A 47 7.096 0.356 17.428 1.00 44.32 H new ATOM 0 HA VAL A 47 8.277 3.039 17.108 1.00 53.54 H new ATOM 0 HB VAL A 47 9.591 0.489 18.132 1.00 53.15 H new ATOM 0 HG11 VAL A 47 11.367 2.012 18.890 1.00 11.24 H new ATOM 0 HG12 VAL A 47 11.151 2.075 17.125 1.00 11.24 H new ATOM 0 HG13 VAL A 47 10.506 3.381 18.147 1.00 11.24 H new ATOM 0 HG21 VAL A 47 9.447 1.515 20.365 1.00 24.31 H new ATOM 0 HG22 VAL A 47 8.507 2.862 19.682 1.00 24.31 H new ATOM 0 HG23 VAL A 47 7.836 1.214 19.672 1.00 24.31 H new ATOM 527 N GLN A 48 8.511 0.426 15.217 1.00 52.02 N ATOM 528 CA GLN A 48 8.993 -0.082 13.938 1.00 54.03 C ATOM 529 C GLN A 48 8.468 0.765 12.783 1.00 2.31 C ATOM 530 O GLN A 48 9.114 0.880 11.742 1.00 54.23 O ATOM 531 CB GLN A 48 8.567 -1.539 13.751 1.00 61.31 C ATOM 532 CG GLN A 48 8.876 -2.422 14.949 1.00 4.24 C ATOM 533 CD GLN A 48 8.728 -3.899 14.640 1.00 3.44 C ATOM 534 OE1 GLN A 48 8.643 -4.296 13.478 1.00 3.00 O ATOM 535 NE2 GLN A 48 8.697 -4.721 15.682 1.00 31.42 N ATOM 0 H GLN A 48 7.781 -0.141 15.648 1.00 52.02 H new ATOM 0 HA GLN A 48 10.082 -0.026 13.941 1.00 54.03 H new ATOM 0 HB2 GLN A 48 7.496 -1.573 13.552 1.00 61.31 H new ATOM 0 HB3 GLN A 48 9.068 -1.945 12.872 1.00 61.31 H new ATOM 0 HG2 GLN A 48 9.893 -2.226 15.287 1.00 4.24 H new ATOM 0 HG3 GLN A 48 8.210 -2.158 15.771 1.00 4.24 H new ATOM 0 HE21 GLN A 48 8.771 -4.348 16.628 1.00 31.42 H new ATOM 0 HE22 GLN A 48 8.599 -5.726 15.536 1.00 31.42 H new ATOM 544 N ALA A 49 7.293 1.356 12.975 1.00 4.33 N ATOM 545 CA ALA A 49 6.683 2.194 11.951 1.00 42.34 C ATOM 546 C ALA A 49 6.729 3.666 12.346 1.00 11.33 C ATOM 547 O ALA A 49 6.377 4.543 11.557 1.00 71.01 O ATOM 548 CB ALA A 49 5.248 1.758 11.698 1.00 14.00 C ATOM 0 H ALA A 49 6.745 1.270 13.831 1.00 4.33 H new ATOM 0 HA ALA A 49 7.255 2.074 11.031 1.00 42.34 H new ATOM 0 HB1 ALA A 49 4.805 2.393 10.931 1.00 14.00 H new ATOM 0 HB2 ALA A 49 5.237 0.721 11.362 1.00 14.00 H new ATOM 0 HB3 ALA A 49 4.673 1.847 12.620 1.00 14.00 H new ATOM 554 N VAL A 50 7.164 3.931 13.574 1.00 3.10 N ATOM 555 CA VAL A 50 7.256 5.298 14.074 1.00 23.54 C ATOM 556 C VAL A 50 8.664 5.854 13.896 1.00 3.32 C ATOM 557 O VAL A 50 8.966 6.983 14.285 1.00 62.12 O ATOM 558 CB VAL A 50 6.869 5.377 15.563 1.00 41.40 C ATOM 559 CG1 VAL A 50 7.390 6.665 16.182 1.00 4.22 C ATOM 560 CG2 VAL A 50 5.361 5.270 15.727 1.00 34.31 C ATOM 0 H VAL A 50 7.458 3.217 14.241 1.00 3.10 H new ATOM 0 HA VAL A 50 6.556 5.897 13.492 1.00 23.54 H new ATOM 0 HB VAL A 50 7.329 4.538 16.085 1.00 41.40 H new ATOM 0 HG11 VAL A 50 7.107 6.704 17.234 1.00 4.22 H new ATOM 0 HG12 VAL A 50 8.476 6.696 16.097 1.00 4.22 H new ATOM 0 HG13 VAL A 50 6.960 7.520 15.659 1.00 4.22 H new ATOM 0 HG21 VAL A 50 5.105 5.328 16.785 1.00 34.31 H new ATOM 0 HG22 VAL A 50 4.878 6.087 15.192 1.00 34.31 H new ATOM 0 HG23 VAL A 50 5.018 4.318 15.322 1.00 34.31 H new ATOM 570 N PRO A 51 9.549 5.045 13.294 1.00 54.42 N ATOM 571 CA PRO A 51 10.940 5.436 13.049 1.00 1.31 C ATOM 572 C PRO A 51 11.059 6.521 11.984 1.00 53.10 C ATOM 573 O PRO A 51 12.066 7.224 11.909 1.00 33.14 O ATOM 574 CB PRO A 51 11.593 4.139 12.566 1.00 62.10 C ATOM 575 CG PRO A 51 10.474 3.343 11.989 1.00 14.14 C ATOM 576 CD PRO A 51 9.258 3.687 12.805 1.00 50.22 C ATOM 0 HA PRO A 51 11.407 5.859 13.938 1.00 1.31 H new ATOM 0 HB2 PRO A 51 12.363 4.337 11.821 1.00 62.10 H new ATOM 0 HB3 PRO A 51 12.074 3.608 13.388 1.00 62.10 H new ATOM 0 HG2 PRO A 51 10.321 3.589 10.938 1.00 14.14 H new ATOM 0 HG3 PRO A 51 10.688 2.275 12.039 1.00 14.14 H new ATOM 0 HD2 PRO A 51 8.350 3.663 12.203 1.00 50.22 H new ATOM 0 HD3 PRO A 51 9.114 2.986 13.627 1.00 50.22 H new ATOM 584 N GLY A 52 10.023 6.652 11.161 1.00 54.10 N ATOM 585 CA GLY A 52 10.031 7.654 10.111 1.00 22.01 C ATOM 586 C GLY A 52 9.309 8.924 10.515 1.00 33.34 C ATOM 587 O GLY A 52 9.760 10.027 10.212 1.00 64.14 O ATOM 0 H GLY A 52 9.178 6.082 11.203 1.00 54.10 H new ATOM 0 HA2 GLY A 52 11.062 7.893 9.850 1.00 22.01 H new ATOM 0 HA3 GLY A 52 9.563 7.242 9.217 1.00 22.01 H new ATOM 591 N GLY A 53 8.181 8.768 11.202 1.00 12.12 N ATOM 592 CA GLY A 53 7.411 9.920 11.636 1.00 64.43 C ATOM 593 C GLY A 53 6.138 9.527 12.359 1.00 41.44 C ATOM 594 O GLY A 53 5.690 10.227 13.268 1.00 61.30 O ATOM 0 H GLY A 53 7.787 7.865 11.466 1.00 12.12 H new ATOM 0 HA2 GLY A 53 8.024 10.536 12.294 1.00 64.43 H new ATOM 0 HA3 GLY A 53 7.159 10.532 10.770 1.00 64.43 H new ATOM 598 N THR A 54 5.551 8.406 11.953 1.00 33.44 N ATOM 599 CA THR A 54 4.320 7.923 12.566 1.00 31.24 C ATOM 600 C THR A 54 4.268 6.399 12.569 1.00 54.33 C ATOM 601 O THR A 54 5.012 5.742 11.842 1.00 50.23 O ATOM 602 CB THR A 54 3.078 8.467 11.836 1.00 74.41 C ATOM 603 OG1 THR A 54 3.457 9.515 10.937 1.00 24.31 O ATOM 604 CG2 THR A 54 2.052 8.991 12.829 1.00 33.44 C ATOM 0 H THR A 54 5.908 7.815 11.202 1.00 33.44 H new ATOM 0 HA THR A 54 4.315 8.285 13.594 1.00 31.24 H new ATOM 0 HB THR A 54 2.630 7.649 11.272 1.00 74.41 H new ATOM 0 HG1 THR A 54 2.662 9.854 10.476 1.00 24.31 H new ATOM 0 HG21 THR A 54 1.184 9.370 12.289 1.00 33.44 H new ATOM 0 HG22 THR A 54 1.743 8.184 13.493 1.00 33.44 H new ATOM 0 HG23 THR A 54 2.493 9.796 13.417 1.00 33.44 H new ATOM 612 N ALA A 55 3.383 5.843 13.390 1.00 1.53 N ATOM 613 CA ALA A 55 3.232 4.397 13.485 1.00 61.23 C ATOM 614 C ALA A 55 2.455 3.847 12.293 1.00 11.04 C ATOM 615 O ALA A 55 1.321 3.392 12.436 1.00 11.02 O ATOM 616 CB ALA A 55 2.540 4.022 14.787 1.00 3.20 C ATOM 0 H ALA A 55 2.760 6.373 13.999 1.00 1.53 H new ATOM 0 HA ALA A 55 4.227 3.951 13.474 1.00 61.23 H new ATOM 0 HB1 ALA A 55 2.434 2.939 14.844 1.00 3.20 H new ATOM 0 HB2 ALA A 55 3.135 4.373 15.630 1.00 3.20 H new ATOM 0 HB3 ALA A 55 1.554 4.485 14.821 1.00 3.20 H new ATOM 622 N GLY A 56 3.073 3.893 11.117 1.00 0.00 N ATOM 623 CA GLY A 56 2.423 3.397 9.918 1.00 64.01 C ATOM 624 C GLY A 56 3.075 2.137 9.384 1.00 22.34 C ATOM 625 O GLY A 56 3.895 2.195 8.469 1.00 70.23 O ATOM 0 H GLY A 56 4.012 4.265 10.973 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.374 3.196 10.134 1.00 64.01 H new ATOM 0 HA3 GLY A 56 2.448 4.169 9.149 1.00 64.01 H new ATOM 629 N GLU A 57 2.711 0.995 9.960 1.00 62.13 N ATOM 630 CA GLU A 57 3.269 -0.284 9.537 1.00 20.43 C ATOM 631 C GLU A 57 2.440 -0.894 8.411 1.00 74.22 C ATOM 632 O GLU A 57 1.403 -0.353 8.025 1.00 62.41 O ATOM 633 CB GLU A 57 3.334 -1.253 10.720 1.00 73.32 C ATOM 634 CG GLU A 57 4.745 -1.693 11.070 1.00 64.34 C ATOM 635 CD GLU A 57 5.056 -3.096 10.586 1.00 72.53 C ATOM 636 OE1 GLU A 57 4.883 -3.360 9.377 1.00 12.15 O ATOM 637 OE2 GLU A 57 5.472 -3.931 11.416 1.00 22.22 O ATOM 0 H GLU A 57 2.033 0.930 10.720 1.00 62.13 H new ATOM 0 HA GLU A 57 4.278 -0.106 9.166 1.00 20.43 H new ATOM 0 HB2 GLU A 57 2.884 -0.779 11.592 1.00 73.32 H new ATOM 0 HB3 GLU A 57 2.734 -2.134 10.491 1.00 73.32 H new ATOM 0 HG2 GLU A 57 5.458 -0.995 10.632 1.00 64.34 H new ATOM 0 HG3 GLU A 57 4.878 -1.648 12.151 1.00 64.34 H new ATOM 644 N VAL A 58 2.904 -2.024 7.887 1.00 61.13 N ATOM 645 CA VAL A 58 2.206 -2.709 6.805 1.00 2.30 C ATOM 646 C VAL A 58 2.043 -4.193 7.110 1.00 74.55 C ATOM 647 O VAL A 58 3.022 -4.900 7.347 1.00 40.43 O ATOM 648 CB VAL A 58 2.952 -2.549 5.467 1.00 72.43 C ATOM 649 CG1 VAL A 58 2.209 -3.270 4.352 1.00 31.53 C ATOM 650 CG2 VAL A 58 3.135 -1.077 5.131 1.00 34.00 C ATOM 0 H VAL A 58 3.761 -2.485 8.194 1.00 61.13 H new ATOM 0 HA VAL A 58 1.222 -2.249 6.721 1.00 2.30 H new ATOM 0 HB VAL A 58 3.939 -3.001 5.565 1.00 72.43 H new ATOM 0 HG11 VAL A 58 2.751 -3.146 3.414 1.00 31.53 H new ATOM 0 HG12 VAL A 58 2.135 -4.331 4.591 1.00 31.53 H new ATOM 0 HG13 VAL A 58 1.208 -2.850 4.251 1.00 31.53 H new ATOM 0 HG21 VAL A 58 3.664 -0.983 4.183 1.00 34.00 H new ATOM 0 HG22 VAL A 58 2.159 -0.598 5.051 1.00 34.00 H new ATOM 0 HG23 VAL A 58 3.713 -0.593 5.918 1.00 34.00 H new ATOM 660 N GLU A 59 0.798 -4.660 7.101 1.00 71.35 N ATOM 661 CA GLU A 59 0.506 -6.062 7.376 1.00 25.24 C ATOM 662 C GLU A 59 0.468 -6.874 6.085 1.00 74.11 C ATOM 663 O GLU A 59 -0.214 -6.507 5.127 1.00 31.40 O ATOM 664 CB GLU A 59 -0.827 -6.193 8.114 1.00 34.25 C ATOM 665 CG GLU A 59 -0.802 -5.624 9.523 1.00 30.32 C ATOM 666 CD GLU A 59 -1.618 -6.449 10.500 1.00 2.40 C ATOM 667 OE1 GLU A 59 -2.832 -6.620 10.261 1.00 23.14 O ATOM 668 OE2 GLU A 59 -1.043 -6.922 11.503 1.00 52.35 O ATOM 0 H GLU A 59 -0.024 -4.088 6.906 1.00 71.35 H new ATOM 0 HA GLU A 59 1.303 -6.455 8.008 1.00 25.24 H new ATOM 0 HB2 GLU A 59 -1.602 -5.685 7.540 1.00 34.25 H new ATOM 0 HB3 GLU A 59 -1.104 -7.246 8.161 1.00 34.25 H new ATOM 0 HG2 GLU A 59 0.230 -5.571 9.871 1.00 30.32 H new ATOM 0 HG3 GLU A 59 -1.186 -4.604 9.506 1.00 30.32 H new ATOM 675 N THR A 60 1.205 -7.980 6.066 1.00 71.23 N ATOM 676 CA THR A 60 1.257 -8.844 4.893 1.00 50.22 C ATOM 677 C THR A 60 0.354 -10.060 5.065 1.00 51.33 C ATOM 678 O THR A 60 0.689 -10.995 5.791 1.00 0.31 O ATOM 679 CB THR A 60 2.694 -9.321 4.610 1.00 32.53 C ATOM 680 OG1 THR A 60 2.679 -10.365 3.630 1.00 23.20 O ATOM 681 CG2 THR A 60 3.357 -9.824 5.884 1.00 62.04 C ATOM 0 H THR A 60 1.774 -8.299 6.850 1.00 71.23 H new ATOM 0 HA THR A 60 0.906 -8.251 4.048 1.00 50.22 H new ATOM 0 HB THR A 60 3.267 -8.475 4.230 1.00 32.53 H new ATOM 0 HG1 THR A 60 2.313 -10.019 2.789 1.00 23.20 H new ATOM 0 HG21 THR A 60 4.371 -10.156 5.660 1.00 62.04 H new ATOM 0 HG22 THR A 60 3.392 -9.019 6.618 1.00 62.04 H new ATOM 0 HG23 THR A 60 2.783 -10.658 6.288 1.00 62.04 H new ATOM 689 N GLU A 61 -0.792 -10.040 4.391 1.00 32.03 N ATOM 690 CA GLU A 61 -1.743 -11.142 4.471 1.00 72.51 C ATOM 691 C GLU A 61 -2.346 -11.441 3.101 1.00 31.02 C ATOM 692 O GLU A 61 -2.308 -10.606 2.197 1.00 3.41 O ATOM 693 CB GLU A 61 -2.855 -10.815 5.469 1.00 14.24 C ATOM 694 CG GLU A 61 -2.846 -11.701 6.704 1.00 42.23 C ATOM 695 CD GLU A 61 -4.057 -12.610 6.778 1.00 23.44 C ATOM 696 OE1 GLU A 61 -4.130 -13.566 5.977 1.00 15.24 O ATOM 697 OE2 GLU A 61 -4.930 -12.367 7.637 1.00 72.12 O ATOM 0 H GLU A 61 -1.084 -9.274 3.784 1.00 32.03 H new ATOM 0 HA GLU A 61 -1.206 -12.026 4.814 1.00 72.51 H new ATOM 0 HB2 GLU A 61 -2.759 -9.774 5.778 1.00 14.24 H new ATOM 0 HB3 GLU A 61 -3.819 -10.912 4.970 1.00 14.24 H new ATOM 0 HG2 GLU A 61 -1.940 -12.308 6.705 1.00 42.23 H new ATOM 0 HG3 GLU A 61 -2.811 -11.075 7.596 1.00 42.23 H new ATOM 704 N THR A 62 -2.903 -12.639 2.954 1.00 23.45 N ATOM 705 CA THR A 62 -3.512 -13.050 1.696 1.00 71.20 C ATOM 706 C THR A 62 -4.899 -13.641 1.924 1.00 63.24 C ATOM 707 O THR A 62 -5.039 -14.711 2.515 1.00 1.42 O ATOM 708 CB THR A 62 -2.640 -14.085 0.961 1.00 63.12 C ATOM 709 OG1 THR A 62 -2.022 -14.965 1.906 1.00 31.34 O ATOM 710 CG2 THR A 62 -1.570 -13.396 0.127 1.00 24.43 C ATOM 0 H THR A 62 -2.945 -13.342 3.692 1.00 23.45 H new ATOM 0 HA THR A 62 -3.598 -12.155 1.079 1.00 71.20 H new ATOM 0 HB THR A 62 -3.282 -14.661 0.295 1.00 63.12 H new ATOM 0 HG1 THR A 62 -1.471 -15.621 1.430 1.00 31.34 H new ATOM 0 HG21 THR A 62 -0.966 -14.147 -0.383 1.00 24.43 H new ATOM 0 HG22 THR A 62 -2.044 -12.749 -0.611 1.00 24.43 H new ATOM 0 HG23 THR A 62 -0.932 -12.797 0.777 1.00 24.43 H new ATOM 718 N GLY A 63 -5.922 -12.938 1.449 1.00 53.41 N ATOM 719 CA GLY A 63 -7.285 -13.409 1.610 1.00 32.44 C ATOM 720 C GLY A 63 -7.742 -14.269 0.449 1.00 75.31 C ATOM 721 O GLY A 63 -6.978 -14.524 -0.481 1.00 21.52 O ATOM 0 H GLY A 63 -5.831 -12.050 0.955 1.00 53.41 H new ATOM 0 HA2 GLY A 63 -7.361 -13.982 2.534 1.00 32.44 H new ATOM 0 HA3 GLY A 63 -7.953 -12.553 1.709 1.00 32.44 H new ATOM 725 N GLU A 64 -8.993 -14.718 0.503 1.00 24.31 N ATOM 726 CA GLU A 64 -9.549 -15.557 -0.552 1.00 42.12 C ATOM 727 C GLU A 64 -9.641 -14.787 -1.867 1.00 32.42 C ATOM 728 O GLU A 64 -9.655 -15.379 -2.945 1.00 74.03 O ATOM 729 CB GLU A 64 -10.933 -16.070 -0.150 1.00 53.34 C ATOM 730 CG GLU A 64 -11.908 -14.964 0.220 1.00 22.30 C ATOM 731 CD GLU A 64 -13.335 -15.462 0.341 1.00 12.44 C ATOM 732 OE1 GLU A 64 -13.534 -16.694 0.370 1.00 14.11 O ATOM 733 OE2 GLU A 64 -14.253 -14.617 0.408 1.00 72.30 O ATOM 0 H GLU A 64 -9.639 -14.515 1.265 1.00 24.31 H new ATOM 0 HA GLU A 64 -8.882 -16.407 -0.695 1.00 42.12 H new ATOM 0 HB2 GLU A 64 -11.350 -16.650 -0.974 1.00 53.34 H new ATOM 0 HB3 GLU A 64 -10.828 -16.749 0.696 1.00 53.34 H new ATOM 0 HG2 GLU A 64 -11.602 -14.516 1.165 1.00 22.30 H new ATOM 0 HG3 GLU A 64 -11.864 -14.178 -0.534 1.00 22.30 H new ATOM 740 N GLY A 65 -9.704 -13.463 -1.767 1.00 55.14 N ATOM 741 CA GLY A 65 -9.796 -12.633 -2.955 1.00 24.52 C ATOM 742 C GLY A 65 -8.466 -12.497 -3.670 1.00 10.32 C ATOM 743 O GLY A 65 -7.949 -13.466 -4.224 1.00 73.23 O ATOM 0 H GLY A 65 -9.693 -12.950 -0.885 1.00 55.14 H new ATOM 0 HA2 GLY A 65 -10.530 -13.061 -3.638 1.00 24.52 H new ATOM 0 HA3 GLY A 65 -10.158 -11.643 -2.676 1.00 24.52 H new ATOM 747 N ALA A 66 -7.912 -11.289 -3.659 1.00 5.11 N ATOM 748 CA ALA A 66 -6.634 -11.029 -4.311 1.00 11.11 C ATOM 749 C ALA A 66 -5.546 -10.728 -3.286 1.00 63.40 C ATOM 750 O ALA A 66 -4.772 -11.609 -2.912 1.00 32.32 O ATOM 751 CB ALA A 66 -6.769 -9.876 -5.294 1.00 43.33 C ATOM 0 H ALA A 66 -8.328 -10.475 -3.206 1.00 5.11 H new ATOM 0 HA ALA A 66 -6.343 -11.926 -4.857 1.00 11.11 H new ATOM 0 HB1 ALA A 66 -5.808 -9.692 -5.774 1.00 43.33 H new ATOM 0 HB2 ALA A 66 -7.510 -10.129 -6.052 1.00 43.33 H new ATOM 0 HB3 ALA A 66 -7.086 -8.979 -4.762 1.00 43.33 H new ATOM 757 N ALA A 67 -5.491 -9.479 -2.836 1.00 54.15 N ATOM 758 CA ALA A 67 -4.498 -9.063 -1.854 1.00 34.11 C ATOM 759 C ALA A 67 -5.132 -8.872 -0.480 1.00 50.31 C ATOM 760 O ALA A 67 -6.349 -8.730 -0.362 1.00 23.53 O ATOM 761 CB ALA A 67 -3.814 -7.781 -2.305 1.00 32.11 C ATOM 0 H ALA A 67 -6.123 -8.737 -3.136 1.00 54.15 H new ATOM 0 HA ALA A 67 -3.750 -9.852 -1.774 1.00 34.11 H new ATOM 0 HB1 ALA A 67 -3.075 -7.482 -1.562 1.00 32.11 H new ATOM 0 HB2 ALA A 67 -3.319 -7.950 -3.261 1.00 32.11 H new ATOM 0 HB3 ALA A 67 -4.557 -6.991 -2.415 1.00 32.11 H new ATOM 767 N ALA A 68 -4.299 -8.869 0.555 1.00 10.34 N ATOM 768 CA ALA A 68 -4.778 -8.693 1.921 1.00 72.42 C ATOM 769 C ALA A 68 -3.694 -8.096 2.811 1.00 42.53 C ATOM 770 O ALA A 68 -3.122 -8.784 3.656 1.00 1.35 O ATOM 771 CB ALA A 68 -5.255 -10.022 2.487 1.00 34.44 C ATOM 0 H ALA A 68 -3.289 -8.986 0.474 1.00 10.34 H new ATOM 0 HA ALA A 68 -5.617 -7.997 1.899 1.00 72.42 H new ATOM 0 HB1 ALA A 68 -5.610 -9.877 3.507 1.00 34.44 H new ATOM 0 HB2 ALA A 68 -6.067 -10.409 1.872 1.00 34.44 H new ATOM 0 HB3 ALA A 68 -4.430 -10.734 2.488 1.00 34.44 H new ATOM 777 N TYR A 69 -3.415 -6.812 2.614 1.00 12.32 N ATOM 778 CA TYR A 69 -2.397 -6.122 3.397 1.00 24.11 C ATOM 779 C TYR A 69 -3.017 -5.015 4.244 1.00 71.11 C ATOM 780 O TYR A 69 -3.705 -4.135 3.728 1.00 0.04 O ATOM 781 CB TYR A 69 -1.326 -5.535 2.476 1.00 62.42 C ATOM 782 CG TYR A 69 -0.189 -6.489 2.185 1.00 4.42 C ATOM 783 CD1 TYR A 69 -0.435 -7.774 1.719 1.00 11.01 C ATOM 784 CD2 TYR A 69 1.133 -6.103 2.376 1.00 73.11 C ATOM 785 CE1 TYR A 69 0.601 -8.648 1.453 1.00 32.21 C ATOM 786 CE2 TYR A 69 2.175 -6.970 2.111 1.00 21.21 C ATOM 787 CZ TYR A 69 1.904 -8.242 1.650 1.00 0.34 C ATOM 788 OH TYR A 69 2.939 -9.109 1.385 1.00 32.22 O ATOM 0 H TYR A 69 -3.880 -6.228 1.919 1.00 12.32 H new ATOM 0 HA TYR A 69 -1.935 -6.849 4.065 1.00 24.11 H new ATOM 0 HB2 TYR A 69 -1.790 -5.238 1.535 1.00 62.42 H new ATOM 0 HB3 TYR A 69 -0.923 -4.631 2.932 1.00 62.42 H new ATOM 0 HD1 TYR A 69 -1.454 -8.095 1.562 1.00 11.01 H new ATOM 0 HD2 TYR A 69 1.349 -5.108 2.738 1.00 73.11 H new ATOM 0 HE1 TYR A 69 0.392 -9.644 1.093 1.00 32.21 H new ATOM 0 HE2 TYR A 69 3.196 -6.654 2.264 1.00 21.21 H new ATOM 0 HH TYR A 69 3.793 -8.667 1.576 1.00 32.22 H new ATOM 798 N GLY A 70 -2.767 -5.067 5.549 1.00 54.41 N ATOM 799 CA GLY A 70 -3.308 -4.063 6.448 1.00 65.34 C ATOM 800 C GLY A 70 -2.254 -3.083 6.923 1.00 25.21 C ATOM 801 O GLY A 70 -1.366 -3.442 7.697 1.00 42.30 O ATOM 0 H GLY A 70 -2.200 -5.785 6.000 1.00 54.41 H new ATOM 0 HA2 GLY A 70 -4.105 -3.518 5.942 1.00 65.34 H new ATOM 0 HA3 GLY A 70 -3.757 -4.556 7.310 1.00 65.34 H new ATOM 805 N VAL A 71 -2.349 -1.842 6.458 1.00 14.40 N ATOM 806 CA VAL A 71 -1.396 -0.806 6.840 1.00 73.40 C ATOM 807 C VAL A 71 -1.991 0.129 7.887 1.00 22.41 C ATOM 808 O VAL A 71 -2.942 0.862 7.612 1.00 24.05 O ATOM 809 CB VAL A 71 -0.950 0.023 5.621 1.00 31.02 C ATOM 810 CG1 VAL A 71 -0.012 1.141 6.050 1.00 32.13 C ATOM 811 CG2 VAL A 71 -0.288 -0.870 4.583 1.00 73.32 C ATOM 0 H VAL A 71 -3.077 -1.529 5.816 1.00 14.40 H new ATOM 0 HA VAL A 71 -0.529 -1.314 7.262 1.00 73.40 H new ATOM 0 HB VAL A 71 -1.833 0.475 5.168 1.00 31.02 H new ATOM 0 HG11 VAL A 71 0.293 1.716 5.176 1.00 32.13 H new ATOM 0 HG12 VAL A 71 -0.525 1.796 6.754 1.00 32.13 H new ATOM 0 HG13 VAL A 71 0.869 0.713 6.528 1.00 32.13 H new ATOM 0 HG21 VAL A 71 0.021 -0.268 3.729 1.00 73.32 H new ATOM 0 HG22 VAL A 71 0.586 -1.352 5.022 1.00 73.32 H new ATOM 0 HG23 VAL A 71 -0.995 -1.631 4.254 1.00 73.32 H new ATOM 821 N LEU A 72 -1.425 0.098 9.088 1.00 3.45 N ATOM 822 CA LEU A 72 -1.898 0.944 10.179 1.00 51.22 C ATOM 823 C LEU A 72 -0.932 2.097 10.433 1.00 62.22 C ATOM 824 O LEU A 72 0.278 1.895 10.538 1.00 30.25 O ATOM 825 CB LEU A 72 -2.070 0.117 11.454 1.00 11.42 C ATOM 826 CG LEU A 72 -1.088 -1.040 11.642 1.00 51.45 C ATOM 827 CD1 LEU A 72 -1.377 -2.152 10.645 1.00 12.24 C ATOM 828 CD2 LEU A 72 0.346 -0.551 11.497 1.00 53.12 C ATOM 0 H LEU A 72 -0.638 -0.503 9.332 1.00 3.45 H new ATOM 0 HA LEU A 72 -2.863 1.360 9.891 1.00 51.22 H new ATOM 0 HB2 LEU A 72 -1.982 0.785 12.311 1.00 11.42 H new ATOM 0 HB3 LEU A 72 -3.082 -0.286 11.467 1.00 11.42 H new ATOM 0 HG LEU A 72 -1.215 -1.440 12.648 1.00 51.45 H new ATOM 0 HD11 LEU A 72 -0.669 -2.967 10.793 1.00 12.24 H new ATOM 0 HD12 LEU A 72 -2.391 -2.521 10.796 1.00 12.24 H new ATOM 0 HD13 LEU A 72 -1.278 -1.766 9.630 1.00 12.24 H new ATOM 0 HD21 LEU A 72 1.031 -1.388 11.634 1.00 53.12 H new ATOM 0 HD22 LEU A 72 0.487 -0.126 10.503 1.00 53.12 H new ATOM 0 HD23 LEU A 72 0.549 0.211 12.250 1.00 53.12 H new ATOM 840 N VAL A 73 -1.474 3.306 10.532 1.00 54.31 N ATOM 841 CA VAL A 73 -0.661 4.491 10.777 1.00 11.32 C ATOM 842 C VAL A 73 -1.340 5.428 11.770 1.00 52.12 C ATOM 843 O VAL A 73 -2.442 5.920 11.523 1.00 3.50 O ATOM 844 CB VAL A 73 -0.381 5.260 9.472 1.00 21.30 C ATOM 845 CG1 VAL A 73 -1.684 5.661 8.798 1.00 32.21 C ATOM 846 CG2 VAL A 73 0.484 6.480 9.748 1.00 11.31 C ATOM 0 H VAL A 73 -2.473 3.491 10.446 1.00 54.31 H new ATOM 0 HA VAL A 73 0.284 4.145 11.196 1.00 11.32 H new ATOM 0 HB VAL A 73 0.163 4.603 8.793 1.00 21.30 H new ATOM 0 HG11 VAL A 73 -1.466 6.203 7.878 1.00 32.21 H new ATOM 0 HG12 VAL A 73 -2.263 4.767 8.564 1.00 32.21 H new ATOM 0 HG13 VAL A 73 -2.259 6.300 9.468 1.00 32.21 H new ATOM 0 HG21 VAL A 73 0.672 7.011 8.815 1.00 11.31 H new ATOM 0 HG22 VAL A 73 -0.031 7.141 10.445 1.00 11.31 H new ATOM 0 HG23 VAL A 73 1.432 6.163 10.182 1.00 11.31 H new ATOM 856 N THR A 74 -0.676 5.672 12.895 1.00 24.32 N ATOM 857 CA THR A 74 -1.215 6.549 13.926 1.00 4.25 C ATOM 858 C THR A 74 -0.168 6.854 14.992 1.00 64.33 C ATOM 859 O THR A 74 0.976 7.180 14.675 1.00 5.35 O ATOM 860 CB THR A 74 -2.452 5.928 14.602 1.00 51.42 C ATOM 861 OG1 THR A 74 -3.249 5.243 13.629 1.00 1.22 O ATOM 862 CG2 THR A 74 -3.288 6.998 15.287 1.00 14.42 C ATOM 0 H THR A 74 0.237 5.274 13.115 1.00 24.32 H new ATOM 0 HA THR A 74 -1.507 7.475 13.431 1.00 4.25 H new ATOM 0 HB THR A 74 -2.110 5.219 15.356 1.00 51.42 H new ATOM 0 HG1 THR A 74 -3.343 5.803 12.830 1.00 1.22 H new ATOM 0 HG21 THR A 74 -4.156 6.536 15.757 1.00 14.42 H new ATOM 0 HG22 THR A 74 -2.687 7.498 16.046 1.00 14.42 H new ATOM 0 HG23 THR A 74 -3.621 7.728 14.549 1.00 14.42 H new ATOM 870 N ARG A 75 -0.566 6.744 16.255 1.00 60.12 N ATOM 871 CA ARG A 75 0.339 7.008 17.367 1.00 12.30 C ATOM 872 C ARG A 75 0.770 5.707 18.038 1.00 13.53 C ATOM 873 O ARG A 75 -0.004 4.758 18.162 1.00 71.12 O ATOM 874 CB ARG A 75 -0.332 7.925 18.391 1.00 11.33 C ATOM 875 CG ARG A 75 0.116 9.375 18.297 1.00 75.35 C ATOM 876 CD ARG A 75 -0.081 10.106 19.615 1.00 34.12 C ATOM 877 NE ARG A 75 -1.479 10.466 19.838 1.00 31.53 N ATOM 878 CZ ARG A 75 -1.936 10.964 20.982 1.00 52.25 C ATOM 879 NH1 ARG A 75 -1.110 11.162 22.000 1.00 73.23 N ATOM 880 NH2 ARG A 75 -3.222 11.267 21.108 1.00 60.03 N ATOM 0 H ARG A 75 -1.509 6.474 16.534 1.00 60.12 H new ATOM 0 HA ARG A 75 1.226 7.503 16.972 1.00 12.30 H new ATOM 0 HB2 ARG A 75 -1.412 7.878 18.255 1.00 11.33 H new ATOM 0 HB3 ARG A 75 -0.120 7.553 19.393 1.00 11.33 H new ATOM 0 HG2 ARG A 75 1.167 9.414 18.012 1.00 75.35 H new ATOM 0 HG3 ARG A 75 -0.446 9.880 17.512 1.00 75.35 H new ATOM 0 HD2 ARG A 75 0.266 9.476 20.434 1.00 34.12 H new ATOM 0 HD3 ARG A 75 0.531 11.008 19.624 1.00 34.12 H new ATOM 0 HE ARG A 75 -2.140 10.328 19.074 1.00 31.53 H new ATOM 0 HH11 ARG A 75 -0.121 10.932 21.906 1.00 73.23 H new ATOM 0 HH12 ARG A 75 -1.464 11.544 22.877 1.00 73.23 H new ATOM 0 HH21 ARG A 75 -3.860 11.118 20.326 1.00 60.03 H new ATOM 0 HH22 ARG A 75 -3.572 11.649 21.986 1.00 60.03 H new ATOM 894 N PRO A 76 2.035 5.661 18.482 1.00 14.13 N ATOM 895 CA PRO A 76 2.597 4.483 19.148 1.00 21.43 C ATOM 896 C PRO A 76 1.999 4.259 20.533 1.00 23.21 C ATOM 897 O PRO A 76 2.517 3.469 21.323 1.00 4.52 O ATOM 898 CB PRO A 76 4.088 4.814 19.256 1.00 34.15 C ATOM 899 CG PRO A 76 4.146 6.302 19.247 1.00 44.54 C ATOM 900 CD PRO A 76 3.013 6.756 18.369 1.00 72.12 C ATOM 0 HA PRO A 76 2.389 3.566 18.597 1.00 21.43 H new ATOM 0 HB2 PRO A 76 4.519 4.406 20.170 1.00 34.15 H new ATOM 0 HB3 PRO A 76 4.649 4.391 18.423 1.00 34.15 H new ATOM 0 HG2 PRO A 76 4.043 6.703 20.255 1.00 44.54 H new ATOM 0 HG3 PRO A 76 5.103 6.653 18.861 1.00 44.54 H new ATOM 0 HD2 PRO A 76 2.596 7.704 18.709 1.00 72.12 H new ATOM 0 HD3 PRO A 76 3.336 6.901 17.338 1.00 72.12 H new ATOM 908 N ASP A 77 0.907 4.958 20.821 1.00 73.54 N ATOM 909 CA ASP A 77 0.237 4.834 22.110 1.00 22.32 C ATOM 910 C ASP A 77 -0.802 3.718 22.078 1.00 73.31 C ATOM 911 O ASP A 77 -1.761 3.726 22.849 1.00 22.31 O ATOM 912 CB ASP A 77 -0.428 6.157 22.492 1.00 35.44 C ATOM 913 CG ASP A 77 0.489 7.055 23.298 1.00 22.13 C ATOM 914 OD1 ASP A 77 1.267 6.525 24.119 1.00 34.11 O ATOM 915 OD2 ASP A 77 0.429 8.288 23.109 1.00 44.02 O ATOM 0 H ASP A 77 0.467 5.617 20.179 1.00 73.54 H new ATOM 0 HA ASP A 77 0.988 4.584 22.859 1.00 22.32 H new ATOM 0 HB2 ASP A 77 -0.739 6.679 21.587 1.00 35.44 H new ATOM 0 HB3 ASP A 77 -1.331 5.953 23.068 1.00 35.44 H new ATOM 920 N GLY A 78 -0.606 2.758 21.178 1.00 3.35 N ATOM 921 CA GLY A 78 -1.535 1.649 21.061 1.00 4.54 C ATOM 922 C GLY A 78 -2.715 1.974 20.168 1.00 53.10 C ATOM 923 O GLY A 78 -3.460 1.082 19.761 1.00 34.12 O ATOM 0 H GLY A 78 0.180 2.729 20.528 1.00 3.35 H new ATOM 0 HA2 GLY A 78 -1.011 0.780 20.663 1.00 4.54 H new ATOM 0 HA3 GLY A 78 -1.897 1.376 22.052 1.00 4.54 H new ATOM 927 N THR A 79 -2.889 3.256 19.862 1.00 51.11 N ATOM 928 CA THR A 79 -3.989 3.697 19.014 1.00 51.14 C ATOM 929 C THR A 79 -3.527 3.902 17.576 1.00 64.44 C ATOM 930 O THR A 79 -2.804 4.852 17.275 1.00 12.22 O ATOM 931 CB THR A 79 -4.608 5.008 19.533 1.00 15.21 C ATOM 932 OG1 THR A 79 -3.731 6.106 19.260 1.00 1.43 O ATOM 933 CG2 THR A 79 -4.876 4.925 21.028 1.00 4.34 C ATOM 0 H THR A 79 -2.282 4.007 20.189 1.00 51.11 H new ATOM 0 HA THR A 79 -4.744 2.911 19.042 1.00 51.14 H new ATOM 0 HB THR A 79 -5.556 5.165 19.018 1.00 15.21 H new ATOM 0 HG1 THR A 79 -2.962 5.790 18.741 1.00 1.43 H new ATOM 0 HG21 THR A 79 -5.313 5.862 21.372 1.00 4.34 H new ATOM 0 HG22 THR A 79 -5.568 4.107 21.229 1.00 4.34 H new ATOM 0 HG23 THR A 79 -3.939 4.746 21.556 1.00 4.34 H new ATOM 941 N ARG A 80 -3.948 3.005 16.690 1.00 22.51 N ATOM 942 CA ARG A 80 -3.576 3.087 15.283 1.00 42.01 C ATOM 943 C ARG A 80 -4.756 2.724 14.386 1.00 11.53 C ATOM 944 O ARG A 80 -5.733 2.128 14.839 1.00 31.23 O ATOM 945 CB ARG A 80 -2.395 2.159 14.990 1.00 13.02 C ATOM 946 CG ARG A 80 -2.559 0.764 15.570 1.00 32.32 C ATOM 947 CD ARG A 80 -1.278 -0.045 15.446 1.00 64.33 C ATOM 948 NE ARG A 80 -0.096 0.746 15.777 1.00 11.53 N ATOM 949 CZ ARG A 80 0.228 1.099 17.016 1.00 1.33 C ATOM 950 NH1 ARG A 80 -0.536 0.732 18.035 1.00 35.13 N ATOM 951 NH2 ARG A 80 1.320 1.821 17.238 1.00 74.41 N ATOM 0 H ARG A 80 -4.547 2.213 16.922 1.00 22.51 H new ATOM 0 HA ARG A 80 -3.283 4.115 15.071 1.00 42.01 H new ATOM 0 HB2 ARG A 80 -2.264 2.082 13.911 1.00 13.02 H new ATOM 0 HB3 ARG A 80 -1.485 2.605 15.391 1.00 13.02 H new ATOM 0 HG2 ARG A 80 -2.845 0.836 16.619 1.00 32.32 H new ATOM 0 HG3 ARG A 80 -3.368 0.247 15.054 1.00 32.32 H new ATOM 0 HD2 ARG A 80 -1.331 -0.911 16.106 1.00 64.33 H new ATOM 0 HD3 ARG A 80 -1.186 -0.425 14.428 1.00 64.33 H new ATOM 0 HE ARG A 80 0.514 1.044 15.016 1.00 11.53 H new ATOM 0 HH11 ARG A 80 -1.375 0.177 17.869 1.00 35.13 H new ATOM 0 HH12 ARG A 80 -0.284 1.005 18.985 1.00 35.13 H new ATOM 0 HH21 ARG A 80 1.911 2.105 16.457 1.00 74.41 H new ATOM 0 HH22 ARG A 80 1.568 2.091 18.190 1.00 74.41 H new ATOM 965 N VAL A 81 -4.659 3.090 13.112 1.00 63.41 N ATOM 966 CA VAL A 81 -5.717 2.803 12.151 1.00 34.34 C ATOM 967 C VAL A 81 -5.199 1.947 11.001 1.00 43.30 C ATOM 968 O VAL A 81 -4.493 2.437 10.120 1.00 3.13 O ATOM 969 CB VAL A 81 -6.324 4.098 11.580 1.00 4.44 C ATOM 970 CG1 VAL A 81 -7.442 3.778 10.601 1.00 53.33 C ATOM 971 CG2 VAL A 81 -6.827 4.991 12.705 1.00 74.14 C ATOM 0 H VAL A 81 -3.858 3.586 12.721 1.00 63.41 H new ATOM 0 HA VAL A 81 -6.491 2.254 12.688 1.00 34.34 H new ATOM 0 HB VAL A 81 -5.545 4.637 11.040 1.00 4.44 H new ATOM 0 HG11 VAL A 81 -7.858 4.706 10.208 1.00 53.33 H new ATOM 0 HG12 VAL A 81 -7.046 3.181 9.779 1.00 53.33 H new ATOM 0 HG13 VAL A 81 -8.224 3.217 11.113 1.00 53.33 H new ATOM 0 HG21 VAL A 81 -7.253 5.902 12.284 1.00 74.14 H new ATOM 0 HG22 VAL A 81 -7.591 4.463 13.275 1.00 74.14 H new ATOM 0 HG23 VAL A 81 -5.997 5.249 13.363 1.00 74.14 H new ATOM 981 N GLU A 82 -5.554 0.666 11.016 1.00 55.42 N ATOM 982 CA GLU A 82 -5.124 -0.257 9.973 1.00 61.40 C ATOM 983 C GLU A 82 -6.028 -0.155 8.748 1.00 51.30 C ATOM 984 O GLU A 82 -7.239 0.030 8.870 1.00 72.50 O ATOM 985 CB GLU A 82 -5.124 -1.693 10.501 1.00 25.42 C ATOM 986 CG GLU A 82 -4.999 -2.743 9.410 1.00 63.30 C ATOM 987 CD GLU A 82 -5.052 -4.158 9.953 1.00 71.22 C ATOM 988 OE1 GLU A 82 -4.556 -4.381 11.077 1.00 12.43 O ATOM 989 OE2 GLU A 82 -5.589 -5.043 9.254 1.00 51.42 O ATOM 0 H GLU A 82 -6.138 0.244 11.738 1.00 55.42 H new ATOM 0 HA GLU A 82 -4.110 0.015 9.679 1.00 61.40 H new ATOM 0 HB2 GLU A 82 -4.300 -1.812 11.204 1.00 25.42 H new ATOM 0 HB3 GLU A 82 -6.045 -1.867 11.057 1.00 25.42 H new ATOM 0 HG2 GLU A 82 -5.801 -2.606 8.685 1.00 63.30 H new ATOM 0 HG3 GLU A 82 -4.060 -2.597 8.877 1.00 63.30 H new ATOM 996 N VAL A 83 -5.430 -0.275 7.567 1.00 53.32 N ATOM 997 CA VAL A 83 -6.180 -0.196 6.319 1.00 72.11 C ATOM 998 C VAL A 83 -6.076 -1.498 5.532 1.00 11.23 C ATOM 999 O VAL A 83 -4.986 -1.908 5.131 1.00 55.23 O ATOM 1000 CB VAL A 83 -5.683 0.965 5.437 1.00 22.13 C ATOM 1001 CG1 VAL A 83 -5.673 2.267 6.224 1.00 71.30 C ATOM 1002 CG2 VAL A 83 -4.300 0.657 4.882 1.00 12.33 C ATOM 0 H VAL A 83 -4.428 -0.427 7.448 1.00 53.32 H new ATOM 0 HA VAL A 83 -7.222 -0.018 6.587 1.00 72.11 H new ATOM 0 HB VAL A 83 -6.369 1.081 4.598 1.00 22.13 H new ATOM 0 HG11 VAL A 83 -5.319 3.076 5.585 1.00 71.30 H new ATOM 0 HG12 VAL A 83 -6.682 2.492 6.568 1.00 71.30 H new ATOM 0 HG13 VAL A 83 -5.010 2.167 7.084 1.00 71.30 H new ATOM 0 HG21 VAL A 83 -3.964 1.487 4.261 1.00 12.33 H new ATOM 0 HG22 VAL A 83 -3.601 0.514 5.706 1.00 12.33 H new ATOM 0 HG23 VAL A 83 -4.343 -0.251 4.281 1.00 12.33 H new ATOM 1012 N HIS A 84 -7.217 -2.144 5.315 1.00 70.34 N ATOM 1013 CA HIS A 84 -7.255 -3.400 4.574 1.00 22.42 C ATOM 1014 C HIS A 84 -7.278 -3.144 3.070 1.00 22.23 C ATOM 1015 O HIS A 84 -8.197 -2.508 2.552 1.00 21.33 O ATOM 1016 CB HIS A 84 -8.479 -4.221 4.982 1.00 3.23 C ATOM 1017 CG HIS A 84 -8.137 -5.563 5.551 1.00 32.55 C ATOM 1018 ND1 HIS A 84 -8.914 -6.200 6.497 1.00 42.15 N ATOM 1019 CD2 HIS A 84 -7.096 -6.392 5.303 1.00 40.34 C ATOM 1020 CE1 HIS A 84 -8.364 -7.361 6.806 1.00 52.24 C ATOM 1021 NE2 HIS A 84 -7.260 -7.501 6.095 1.00 71.55 N ATOM 0 H HIS A 84 -8.127 -1.819 5.641 1.00 70.34 H new ATOM 0 HA HIS A 84 -6.353 -3.962 4.815 1.00 22.42 H new ATOM 0 HB2 HIS A 84 -9.054 -3.659 5.718 1.00 3.23 H new ATOM 0 HB3 HIS A 84 -9.121 -4.357 4.112 1.00 3.23 H new ATOM 0 HD2 HIS A 84 -6.287 -6.214 4.610 1.00 40.34 H new ATOM 0 HE1 HIS A 84 -8.751 -8.074 7.519 1.00 52.24 H new ATOM 0 HE2 HIS A 84 -6.631 -8.303 6.129 1.00 71.55 H new ATOM 1029 N LEU A 85 -6.261 -3.642 2.375 1.00 54.13 N ATOM 1030 CA LEU A 85 -6.164 -3.466 0.930 1.00 74.42 C ATOM 1031 C LEU A 85 -6.300 -4.803 0.208 1.00 34.55 C ATOM 1032 O LEU A 85 -5.418 -5.658 0.292 1.00 44.44 O ATOM 1033 CB LEU A 85 -4.832 -2.810 0.564 1.00 1.13 C ATOM 1034 CG LEU A 85 -3.579 -3.650 0.814 1.00 20.10 C ATOM 1035 CD1 LEU A 85 -3.120 -4.319 -0.472 1.00 60.41 C ATOM 1036 CD2 LEU A 85 -2.467 -2.789 1.396 1.00 70.51 C ATOM 0 H LEU A 85 -5.493 -4.170 2.788 1.00 54.13 H new ATOM 0 HA LEU A 85 -6.981 -2.818 0.613 1.00 74.42 H new ATOM 0 HB2 LEU A 85 -4.860 -2.541 -0.492 1.00 1.13 H new ATOM 0 HB3 LEU A 85 -4.741 -1.881 1.127 1.00 1.13 H new ATOM 0 HG LEU A 85 -3.825 -4.428 1.537 1.00 20.10 H new ATOM 0 HD11 LEU A 85 -2.227 -4.912 -0.275 1.00 60.41 H new ATOM 0 HD12 LEU A 85 -3.911 -4.968 -0.847 1.00 60.41 H new ATOM 0 HD13 LEU A 85 -2.892 -3.557 -1.217 1.00 60.41 H new ATOM 0 HD21 LEU A 85 -1.583 -3.403 1.568 1.00 70.51 H new ATOM 0 HD22 LEU A 85 -2.223 -1.989 0.697 1.00 70.51 H new ATOM 0 HD23 LEU A 85 -2.798 -2.357 2.341 1.00 70.51 H new ATOM 1048 N ASP A 86 -7.410 -4.977 -0.500 1.00 73.05 N ATOM 1049 CA ASP A 86 -7.661 -6.209 -1.240 1.00 4.13 C ATOM 1050 C ASP A 86 -8.166 -5.905 -2.647 1.00 34.25 C ATOM 1051 O ASP A 86 -9.219 -5.290 -2.819 1.00 45.40 O ATOM 1052 CB ASP A 86 -8.676 -7.078 -0.496 1.00 1.12 C ATOM 1053 CG ASP A 86 -8.566 -6.936 1.010 1.00 71.44 C ATOM 1054 OD1 ASP A 86 -7.432 -6.782 1.510 1.00 13.33 O ATOM 1055 OD2 ASP A 86 -9.614 -6.979 1.687 1.00 31.41 O ATOM 0 H ASP A 86 -8.151 -4.280 -0.578 1.00 73.05 H new ATOM 0 HA ASP A 86 -6.720 -6.753 -1.322 1.00 4.13 H new ATOM 0 HB2 ASP A 86 -9.683 -6.806 -0.811 1.00 1.12 H new ATOM 0 HB3 ASP A 86 -8.527 -8.122 -0.771 1.00 1.12 H new ATOM 1060 N ARG A 87 -7.410 -6.340 -3.649 1.00 24.23 N ATOM 1061 CA ARG A 87 -7.780 -6.113 -5.040 1.00 51.23 C ATOM 1062 C ARG A 87 -9.010 -6.934 -5.417 1.00 25.42 C ATOM 1063 O ARG A 87 -9.422 -6.956 -6.576 1.00 73.55 O ATOM 1064 CB ARG A 87 -6.614 -6.467 -5.965 1.00 50.10 C ATOM 1065 CG ARG A 87 -6.835 -6.051 -7.410 1.00 42.12 C ATOM 1066 CD ARG A 87 -6.741 -7.241 -8.353 1.00 12.42 C ATOM 1067 NE ARG A 87 -6.522 -6.827 -9.736 1.00 43.11 N ATOM 1068 CZ ARG A 87 -6.529 -7.668 -10.765 1.00 2.45 C ATOM 1069 NH1 ARG A 87 -6.744 -8.961 -10.566 1.00 44.24 N ATOM 1070 NH2 ARG A 87 -6.321 -7.215 -11.994 1.00 72.05 N ATOM 0 H ARG A 87 -6.537 -6.852 -3.523 1.00 24.23 H new ATOM 0 HA ARG A 87 -8.020 -5.056 -5.158 1.00 51.23 H new ATOM 0 HB2 ARG A 87 -5.708 -5.989 -5.593 1.00 50.10 H new ATOM 0 HB3 ARG A 87 -6.445 -7.543 -5.927 1.00 50.10 H new ATOM 0 HG2 ARG A 87 -7.814 -5.583 -7.509 1.00 42.12 H new ATOM 0 HG3 ARG A 87 -6.094 -5.303 -7.692 1.00 42.12 H new ATOM 0 HD2 ARG A 87 -5.926 -7.891 -8.036 1.00 12.42 H new ATOM 0 HD3 ARG A 87 -7.658 -7.826 -8.291 1.00 12.42 H new ATOM 0 HE ARG A 87 -6.354 -5.838 -9.923 1.00 43.11 H new ATOM 0 HH11 ARG A 87 -6.904 -9.312 -9.622 1.00 44.24 H new ATOM 0 HH12 ARG A 87 -6.749 -9.605 -11.357 1.00 44.24 H new ATOM 0 HH21 ARG A 87 -6.156 -6.221 -12.150 1.00 72.05 H new ATOM 0 HH22 ARG A 87 -6.326 -7.861 -12.783 1.00 72.05 H new ATOM 1084 N ASP A 88 -9.589 -7.608 -4.430 1.00 31.53 N ATOM 1085 CA ASP A 88 -10.772 -8.431 -4.657 1.00 25.21 C ATOM 1086 C ASP A 88 -11.958 -7.572 -5.084 1.00 24.03 C ATOM 1087 O ASP A 88 -12.875 -8.050 -5.751 1.00 51.44 O ATOM 1088 CB ASP A 88 -11.123 -9.216 -3.392 1.00 74.23 C ATOM 1089 CG ASP A 88 -12.011 -10.411 -3.681 1.00 12.24 C ATOM 1090 OD1 ASP A 88 -12.385 -10.602 -4.857 1.00 34.22 O ATOM 1091 OD2 ASP A 88 -12.331 -11.155 -2.730 1.00 50.13 O ATOM 0 H ASP A 88 -9.259 -7.601 -3.465 1.00 31.53 H new ATOM 0 HA ASP A 88 -10.548 -9.133 -5.460 1.00 25.21 H new ATOM 0 HB2 ASP A 88 -10.205 -9.556 -2.912 1.00 74.23 H new ATOM 0 HB3 ASP A 88 -11.626 -8.556 -2.686 1.00 74.23 H new ATOM 1096 N PHE A 89 -11.933 -6.302 -4.693 1.00 23.10 N ATOM 1097 CA PHE A 89 -13.007 -5.376 -5.033 1.00 62.43 C ATOM 1098 C PHE A 89 -12.541 -3.930 -4.898 1.00 12.43 C ATOM 1099 O PHE A 89 -12.039 -3.336 -5.852 1.00 52.22 O ATOM 1100 CB PHE A 89 -14.222 -5.619 -4.135 1.00 63.34 C ATOM 1101 CG PHE A 89 -13.957 -6.587 -3.018 1.00 32.41 C ATOM 1102 CD1 PHE A 89 -13.473 -6.143 -1.798 1.00 45.45 C ATOM 1103 CD2 PHE A 89 -14.194 -7.942 -3.187 1.00 22.13 C ATOM 1104 CE1 PHE A 89 -13.228 -7.032 -0.769 1.00 4.40 C ATOM 1105 CE2 PHE A 89 -13.951 -8.836 -2.161 1.00 11.24 C ATOM 1106 CZ PHE A 89 -13.468 -8.380 -0.950 1.00 13.43 C ATOM 0 H PHE A 89 -11.181 -5.891 -4.140 1.00 23.10 H new ATOM 0 HA PHE A 89 -13.290 -5.552 -6.071 1.00 62.43 H new ATOM 0 HB2 PHE A 89 -14.547 -4.668 -3.712 1.00 63.34 H new ATOM 0 HB3 PHE A 89 -15.044 -5.995 -4.744 1.00 63.34 H new ATOM 0 HD1 PHE A 89 -13.285 -5.090 -1.650 1.00 45.45 H new ATOM 0 HD2 PHE A 89 -14.573 -8.304 -4.131 1.00 22.13 H new ATOM 0 HE1 PHE A 89 -12.849 -6.673 0.176 1.00 4.40 H new ATOM 0 HE2 PHE A 89 -14.139 -9.890 -2.306 1.00 11.24 H new ATOM 0 HZ PHE A 89 -13.278 -9.076 -0.146 1.00 13.43 H new ATOM 1116 N ARG A 90 -12.712 -3.369 -3.705 1.00 53.51 N ATOM 1117 CA ARG A 90 -12.312 -1.991 -3.444 1.00 62.22 C ATOM 1118 C ARG A 90 -12.138 -1.750 -1.948 1.00 11.34 C ATOM 1119 O ARG A 90 -12.608 -0.746 -1.411 1.00 71.23 O ATOM 1120 CB ARG A 90 -13.349 -1.020 -4.011 1.00 43.14 C ATOM 1121 CG ARG A 90 -14.769 -1.311 -3.556 1.00 32.13 C ATOM 1122 CD ARG A 90 -15.197 -0.377 -2.435 1.00 53.40 C ATOM 1123 NE ARG A 90 -16.445 0.316 -2.746 1.00 43.14 N ATOM 1124 CZ ARG A 90 -17.622 -0.293 -2.832 1.00 31.03 C ATOM 1125 NH1 ARG A 90 -17.712 -1.600 -2.629 1.00 71.24 N ATOM 1126 NH2 ARG A 90 -18.713 0.406 -3.119 1.00 62.13 N ATOM 0 H ARG A 90 -13.125 -3.847 -2.904 1.00 53.51 H new ATOM 0 HA ARG A 90 -11.355 -1.817 -3.936 1.00 62.22 H new ATOM 0 HB2 ARG A 90 -13.083 -0.005 -3.716 1.00 43.14 H new ATOM 0 HB3 ARG A 90 -13.311 -1.056 -5.100 1.00 43.14 H new ATOM 0 HG2 ARG A 90 -15.451 -1.206 -4.399 1.00 32.13 H new ATOM 0 HG3 ARG A 90 -14.839 -2.344 -3.217 1.00 32.13 H new ATOM 0 HD2 ARG A 90 -15.319 -0.948 -1.514 1.00 53.40 H new ATOM 0 HD3 ARG A 90 -14.411 0.356 -2.254 1.00 53.40 H new ATOM 0 HE ARG A 90 -16.410 1.323 -2.906 1.00 43.14 H new ATOM 0 HH11 ARG A 90 -16.876 -2.140 -2.406 1.00 71.24 H new ATOM 0 HH12 ARG A 90 -18.617 -2.065 -2.696 1.00 71.24 H new ATOM 0 HH21 ARG A 90 -18.648 1.412 -3.274 1.00 62.13 H new ATOM 0 HH22 ARG A 90 -19.616 -0.063 -3.185 1.00 62.13 H new ATOM 1140 N VAL A 91 -11.460 -2.677 -1.279 1.00 33.05 N ATOM 1141 CA VAL A 91 -11.224 -2.565 0.156 1.00 61.11 C ATOM 1142 C VAL A 91 -9.827 -2.024 0.442 1.00 35.41 C ATOM 1143 O VAL A 91 -8.826 -2.695 0.189 1.00 61.23 O ATOM 1144 CB VAL A 91 -11.390 -3.925 0.860 1.00 52.11 C ATOM 1145 CG1 VAL A 91 -10.888 -5.052 -0.030 1.00 4.15 C ATOM 1146 CG2 VAL A 91 -10.664 -3.925 2.196 1.00 4.13 C ATOM 0 H VAL A 91 -11.064 -3.514 -1.707 1.00 33.05 H new ATOM 0 HA VAL A 91 -11.967 -1.870 0.546 1.00 61.11 H new ATOM 0 HB VAL A 91 -12.451 -4.090 1.049 1.00 52.11 H new ATOM 0 HG11 VAL A 91 -11.013 -6.005 0.484 1.00 4.15 H new ATOM 0 HG12 VAL A 91 -11.458 -5.063 -0.959 1.00 4.15 H new ATOM 0 HG13 VAL A 91 -9.833 -4.896 -0.254 1.00 4.15 H new ATOM 0 HG21 VAL A 91 -10.792 -4.893 2.680 1.00 4.13 H new ATOM 0 HG22 VAL A 91 -9.603 -3.738 2.033 1.00 4.13 H new ATOM 0 HG23 VAL A 91 -11.076 -3.144 2.834 1.00 4.13 H new ATOM 1156 N LEU A 92 -9.767 -0.808 0.972 1.00 14.21 N ATOM 1157 CA LEU A 92 -8.493 -0.176 1.294 1.00 2.42 C ATOM 1158 C LEU A 92 -8.483 0.328 2.734 1.00 53.21 C ATOM 1159 O LEU A 92 -7.647 1.150 3.109 1.00 51.31 O ATOM 1160 CB LEU A 92 -8.219 0.984 0.334 1.00 21.54 C ATOM 1161 CG LEU A 92 -8.469 0.701 -1.148 1.00 4.15 C ATOM 1162 CD1 LEU A 92 -7.908 -0.659 -1.534 1.00 5.42 C ATOM 1163 CD2 LEU A 92 -9.956 0.775 -1.461 1.00 42.23 C ATOM 0 H LEU A 92 -10.586 -0.240 1.188 1.00 14.21 H new ATOM 0 HA LEU A 92 -7.707 -0.924 1.185 1.00 2.42 H new ATOM 0 HB2 LEU A 92 -8.839 1.830 0.632 1.00 21.54 H new ATOM 0 HB3 LEU A 92 -7.180 1.292 0.455 1.00 21.54 H new ATOM 0 HG LEU A 92 -7.956 1.462 -1.735 1.00 4.15 H new ATOM 0 HD11 LEU A 92 -8.095 -0.843 -2.592 1.00 5.42 H new ATOM 0 HD12 LEU A 92 -6.834 -0.676 -1.347 1.00 5.42 H new ATOM 0 HD13 LEU A 92 -8.392 -1.434 -0.940 1.00 5.42 H new ATOM 0 HD21 LEU A 92 -10.116 0.571 -2.520 1.00 42.23 H new ATOM 0 HD22 LEU A 92 -10.491 0.036 -0.864 1.00 42.23 H new ATOM 0 HD23 LEU A 92 -10.329 1.771 -1.223 1.00 42.23 H new ATOM 1175 N ASP A 93 -9.417 -0.172 3.536 1.00 3.51 N ATOM 1176 CA ASP A 93 -9.514 0.225 4.936 1.00 11.20 C ATOM 1177 C ASP A 93 -9.853 -0.972 5.818 1.00 73.41 C ATOM 1178 O ASP A 93 -10.498 -1.923 5.373 1.00 65.02 O ATOM 1179 CB ASP A 93 -10.573 1.316 5.107 1.00 44.03 C ATOM 1180 CG ASP A 93 -10.439 2.051 6.426 1.00 50.01 C ATOM 1181 OD1 ASP A 93 -9.634 3.003 6.495 1.00 14.31 O ATOM 1182 OD2 ASP A 93 -11.139 1.673 7.389 1.00 5.44 O ATOM 0 H ASP A 93 -10.117 -0.852 3.241 1.00 3.51 H new ATOM 0 HA ASP A 93 -8.545 0.618 5.244 1.00 11.20 H new ATOM 0 HB2 ASP A 93 -10.491 2.029 4.287 1.00 44.03 H new ATOM 0 HB3 ASP A 93 -11.565 0.869 5.043 1.00 44.03 H new ATOM 1187 N THR A 94 -9.415 -0.921 7.072 1.00 45.11 N ATOM 1188 CA THR A 94 -9.669 -2.002 8.016 1.00 52.32 C ATOM 1189 C THR A 94 -10.406 -1.492 9.249 1.00 31.22 C ATOM 1190 O THR A 94 -11.617 -1.278 9.215 1.00 52.33 O ATOM 1191 CB THR A 94 -8.360 -2.681 8.458 1.00 23.34 C ATOM 1192 OG1 THR A 94 -7.651 -3.171 7.315 1.00 41.35 O ATOM 1193 CG2 THR A 94 -8.643 -3.829 9.415 1.00 25.45 C ATOM 0 H THR A 94 -8.882 -0.142 7.458 1.00 45.11 H new ATOM 0 HA THR A 94 -10.292 -2.733 7.500 1.00 52.32 H new ATOM 0 HB THR A 94 -7.749 -1.940 8.974 1.00 23.34 H new ATOM 0 HG1 THR A 94 -7.130 -3.962 7.567 1.00 41.35 H new ATOM 0 HG21 THR A 94 -7.703 -4.294 9.714 1.00 25.45 H new ATOM 0 HG22 THR A 94 -9.157 -3.448 10.298 1.00 25.45 H new ATOM 0 HG23 THR A 94 -9.272 -4.569 8.920 1.00 25.45 H new ATOM 1201 N GLU A 95 -9.667 -1.300 10.337 1.00 21.03 N ATOM 1202 CA GLU A 95 -10.252 -0.815 11.582 1.00 72.42 C ATOM 1203 C GLU A 95 -9.166 -0.368 12.556 1.00 50.22 C ATOM 1204 O GLU A 95 -8.023 -0.823 12.502 1.00 12.43 O ATOM 1205 CB GLU A 95 -11.112 -1.905 12.225 1.00 31.23 C ATOM 1206 CG GLU A 95 -10.303 -2.992 12.913 1.00 60.34 C ATOM 1207 CD GLU A 95 -11.122 -4.235 13.201 1.00 73.34 C ATOM 1208 OE1 GLU A 95 -11.295 -5.060 12.279 1.00 51.42 O ATOM 1209 OE2 GLU A 95 -11.590 -4.384 14.349 1.00 14.50 O ATOM 0 H GLU A 95 -8.663 -1.473 10.382 1.00 21.03 H new ATOM 0 HA GLU A 95 -10.881 0.044 11.348 1.00 72.42 H new ATOM 0 HB2 GLU A 95 -11.781 -1.446 12.953 1.00 31.23 H new ATOM 0 HB3 GLU A 95 -11.739 -2.361 11.459 1.00 31.23 H new ATOM 0 HG2 GLU A 95 -9.453 -3.259 12.285 1.00 60.34 H new ATOM 0 HG3 GLU A 95 -9.899 -2.603 13.848 1.00 60.34 H new ATOM 1216 N PRO A 96 -9.530 0.546 13.468 1.00 62.02 N ATOM 1217 CA PRO A 96 -8.602 1.076 14.471 1.00 22.33 C ATOM 1218 C PRO A 96 -8.226 0.035 15.521 1.00 75.35 C ATOM 1219 O PRO A 96 -9.025 -0.840 15.853 1.00 21.54 O ATOM 1220 CB PRO A 96 -9.389 2.221 15.112 1.00 2.44 C ATOM 1221 CG PRO A 96 -10.819 1.862 14.903 1.00 33.14 C ATOM 1222 CD PRO A 96 -10.875 1.132 13.590 1.00 51.12 C ATOM 0 HA PRO A 96 -7.656 1.386 14.027 1.00 22.33 H new ATOM 0 HB2 PRO A 96 -9.156 2.316 16.172 1.00 2.44 H new ATOM 0 HB3 PRO A 96 -9.149 3.176 14.646 1.00 2.44 H new ATOM 0 HG2 PRO A 96 -11.186 1.234 15.715 1.00 33.14 H new ATOM 0 HG3 PRO A 96 -11.446 2.753 14.881 1.00 33.14 H new ATOM 0 HD2 PRO A 96 -11.649 0.365 13.590 1.00 51.12 H new ATOM 0 HD3 PRO A 96 -11.095 1.808 12.764 1.00 51.12 H new ATOM 1230 N ALA A 97 -7.007 0.136 16.038 1.00 3.33 N ATOM 1231 CA ALA A 97 -6.527 -0.795 17.052 1.00 70.24 C ATOM 1232 C ALA A 97 -6.193 -0.069 18.350 1.00 23.23 C ATOM 1233 O ALA A 97 -6.003 1.147 18.362 1.00 52.25 O ATOM 1234 CB ALA A 97 -5.310 -1.552 16.539 1.00 14.24 C ATOM 0 H ALA A 97 -6.333 0.854 15.772 1.00 3.33 H new ATOM 0 HA ALA A 97 -7.324 -1.509 17.261 1.00 70.24 H new ATOM 0 HB1 ALA A 97 -4.962 -2.244 17.306 1.00 14.24 H new ATOM 0 HB2 ALA A 97 -5.580 -2.110 15.643 1.00 14.24 H new ATOM 0 HB3 ALA A 97 -4.516 -0.845 16.301 1.00 14.24 H new ATOM 1240 N ASP A 98 -6.123 -0.822 19.442 1.00 25.33 N ATOM 1241 CA ASP A 98 -5.811 -0.250 20.747 1.00 64.20 C ATOM 1242 C ASP A 98 -4.645 -0.987 21.399 1.00 30.40 C ATOM 1243 O ASP A 98 -4.235 -0.660 22.512 1.00 71.41 O ATOM 1244 CB ASP A 98 -7.038 -0.304 21.658 1.00 70.11 C ATOM 1245 CG ASP A 98 -7.832 -1.584 21.485 1.00 62.03 C ATOM 1246 OD1 ASP A 98 -8.654 -1.650 20.547 1.00 71.41 O ATOM 1247 OD2 ASP A 98 -7.630 -2.520 22.286 1.00 11.24 O ATOM 0 H ASP A 98 -6.278 -1.830 19.450 1.00 25.33 H new ATOM 0 HA ASP A 98 -5.523 0.791 20.600 1.00 64.20 H new ATOM 0 HB2 ASP A 98 -6.720 -0.215 22.697 1.00 70.11 H new ATOM 0 HB3 ASP A 98 -7.681 0.550 21.447 1.00 70.11 H new ATOM 1252 N GLY A 99 -4.116 -1.986 20.698 1.00 41.52 N ATOM 1253 CA GLY A 99 -3.004 -2.754 21.225 1.00 64.41 C ATOM 1254 C GLY A 99 -3.459 -3.927 22.071 1.00 4.20 C ATOM 1255 O GLY A 99 -2.708 -4.881 22.277 1.00 50.30 O ATOM 0 H GLY A 99 -4.438 -2.276 19.775 1.00 41.52 H new ATOM 0 HA2 GLY A 99 -2.395 -3.121 20.398 1.00 64.41 H new ATOM 0 HA3 GLY A 99 -2.368 -2.103 21.825 1.00 64.41 H new ATOM 1259 N ASP A 100 -4.690 -3.856 22.564 1.00 52.11 N ATOM 1260 CA ASP A 100 -5.244 -4.920 23.393 1.00 12.44 C ATOM 1261 C ASP A 100 -6.101 -5.868 22.561 1.00 53.35 C ATOM 1262 O ASP A 100 -6.405 -6.981 22.986 1.00 73.44 O ATOM 1263 CB ASP A 100 -6.076 -4.327 24.532 1.00 53.13 C ATOM 1264 CG ASP A 100 -6.051 -5.190 25.778 1.00 45.02 C ATOM 1265 OD1 ASP A 100 -6.209 -6.422 25.649 1.00 5.22 O ATOM 1266 OD2 ASP A 100 -5.873 -4.633 26.882 1.00 72.41 O ATOM 0 H ASP A 100 -5.324 -3.073 22.404 1.00 52.11 H new ATOM 0 HA ASP A 100 -4.414 -5.487 23.816 1.00 12.44 H new ATOM 0 HB2 ASP A 100 -5.699 -3.333 24.774 1.00 53.13 H new ATOM 0 HB3 ASP A 100 -7.107 -4.204 24.199 1.00 53.13 H new ATOM 1271 N GLY A 101 -6.489 -5.417 21.371 1.00 1.22 N ATOM 1272 CA GLY A 101 -7.308 -6.237 20.498 1.00 14.21 C ATOM 1273 C GLY A 101 -6.532 -7.385 19.884 1.00 32.14 C ATOM 1274 O GLY A 101 -7.118 -8.369 19.434 1.00 23.04 O ATOM 0 H GLY A 101 -6.250 -4.499 20.997 1.00 1.22 H new ATOM 0 HA2 GLY A 101 -8.151 -6.634 21.063 1.00 14.21 H new ATOM 0 HA3 GLY A 101 -7.721 -5.616 19.703 1.00 14.21 H new ATOM 1278 N GLY A 102 -5.209 -7.259 19.864 1.00 24.23 N ATOM 1279 CA GLY A 102 -4.373 -8.301 19.297 1.00 21.20 C ATOM 1280 C GLY A 102 -4.294 -9.528 20.184 1.00 73.25 C ATOM 1281 O GLY A 102 -5.193 -10.370 20.171 1.00 45.31 O ATOM 0 H GLY A 102 -4.701 -6.454 20.230 1.00 24.23 H new ATOM 0 HA2 GLY A 102 -4.766 -8.587 18.321 1.00 21.20 H new ATOM 0 HA3 GLY A 102 -3.369 -7.909 19.134 1.00 21.20 H new