USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 879 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 118 ASN : amide:sc= 0.906 K(o=2.8,f=0.48) USER MOD Set 1.2: A 121 THR OG1 : rot -37:sc= 0.854 USER MOD Set 1.3: A 122 GLN : amide:sc= 1.06 K(o=2.8,f=0.85) USER MOD Set 2.1: A 30 MET CE :methyl -170:sc= 0 (180deg=0) USER MOD Set 2.2: A 96 SER OG : rot 120:sc= 0 USER MOD Set 3.1: A 89 SER OG : rot 109:sc= 0.684 USER MOD Set 3.2: A 91 SER OG : rot 180:sc= 0.617 USER MOD Set 4.1: A 67 GLN : amide:sc= -0.362 X(o=-0.82,f=-1.2) USER MOD Set 4.2: A 70 ASN : amide:sc= -0.462 K(o=-0.82,f=-3.6!) USER MOD Set 5.1: A 58 GLN : amide:sc= 0.879 K(o=1.8,f=-3) USER MOD Set 5.2: A 65 LYS NZ :NH3+ -161:sc= 0.918 (180deg=0) USER MOD Set 6.1: A 36 SER OG : rot 180:sc= 0.308 USER MOD Set 6.2: A 37 GLN : amide:sc= 0.186 K(o=0.49,f=-1.8!) USER MOD Set 7.1: A 8 THR OG1 : rot 8:sc= 0.598 USER MOD Set 7.2: A 11 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 12 ASN : amide:sc= -0.0171 X(o=-0.017,f=-0.071) USER MOD Single : A 18 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.8!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -93:sc= 1.22 USER MOD Single : A 25 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.66) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -84:sc= 0.0575 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.61) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 51 SER OG : rot 83:sc= 0.301 USER MOD Single : A 53 GLN : amide:sc= -0.17 K(o=-0.17,f=-2.2!) USER MOD Single : A 54 SER OG : rot 76:sc= 0.264 USER MOD Single : A 61 THR OG1 : rot 130:sc= 0.0215 USER MOD Single : A 62 SER OG : rot 174:sc= -0.538 USER MOD Single : A 64 ASN : amide:sc=-0.00988 K(o=-0.0099,f=-2.4!) USER MOD Single : A 71 MET CE :methyl 144:sc=-0.00173 (180deg=-0.279) USER MOD Single : A 75 SER OG : rot -69:sc= 1.67 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -165:sc= 0.677 (180deg=0.253) USER MOD Single : A 94 THR OG1 : rot -82:sc= 0.228 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -12:sc= 0.294 USER MOD Single : A 103 ASN : amide:sc= -0.0349 K(o=-0.035,f=-0.74) USER MOD Single : A 107 GLN : amide:sc= -0.254 K(o=-0.25,f=-3.7!) USER MOD Single : A 108 THR OG1 : rot 37:sc= 1.01 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.0563 USER MOD Single : A 113 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 164:sc= -0.0548 (180deg=-0.389) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 13.765 1.367 4.693 1.00 23.03 N ATOM 83 CA THR A 8 12.323 1.609 4.647 1.00 30.33 C ATOM 84 C THR A 8 11.733 0.762 3.508 1.00 21.01 C ATOM 85 O THR A 8 12.334 0.733 2.430 1.00 42.43 O ATOM 86 CB THR A 8 12.038 3.130 4.511 1.00 61.24 C ATOM 87 OG1 THR A 8 13.178 3.933 4.815 1.00 71.54 O ATOM 88 CG2 THR A 8 10.945 3.588 5.475 1.00 32.45 C ATOM 0 HA THR A 8 11.837 1.304 5.573 1.00 30.33 H new ATOM 0 HB THR A 8 11.740 3.260 3.471 1.00 61.24 H new ATOM 0 HG1 THR A 8 13.961 3.357 4.936 1.00 71.54 H new ATOM 0 HG21 THR A 8 10.774 4.657 5.350 1.00 32.45 H new ATOM 0 HG22 THR A 8 10.023 3.046 5.264 1.00 32.45 H new ATOM 0 HG23 THR A 8 11.257 3.388 6.500 1.00 32.45 H new ATOM 96 N PRO A 9 10.568 0.109 3.697 1.00 40.33 N ATOM 97 CA PRO A 9 9.927 -0.743 2.694 1.00 54.24 C ATOM 98 C PRO A 9 9.649 -0.028 1.374 1.00 31.25 C ATOM 99 O PRO A 9 9.809 -0.622 0.314 1.00 24.12 O ATOM 100 CB PRO A 9 8.627 -1.244 3.333 1.00 2.05 C ATOM 101 CG PRO A 9 8.357 -0.234 4.440 1.00 44.54 C ATOM 102 CD PRO A 9 9.770 0.081 4.911 1.00 32.04 C ATOM 0 HA PRO A 9 10.596 -1.560 2.426 1.00 54.24 H new ATOM 0 HB2 PRO A 9 7.811 -1.274 2.611 1.00 2.05 H new ATOM 0 HB3 PRO A 9 8.739 -2.253 3.730 1.00 2.05 H new ATOM 0 HG2 PRO A 9 7.840 0.652 4.071 1.00 44.54 H new ATOM 0 HG3 PRO A 9 7.742 -0.653 5.237 1.00 44.54 H new ATOM 0 HD2 PRO A 9 9.809 1.037 5.432 1.00 32.04 H new ATOM 0 HD3 PRO A 9 10.133 -0.676 5.606 1.00 32.04 H new ATOM 110 N TRP A 10 9.251 1.242 1.413 1.00 74.15 N ATOM 111 CA TRP A 10 8.967 2.022 0.212 1.00 72.21 C ATOM 112 C TRP A 10 10.218 2.717 -0.339 1.00 72.34 C ATOM 113 O TRP A 10 10.157 3.363 -1.378 1.00 21.24 O ATOM 114 CB TRP A 10 7.809 3.001 0.497 1.00 43.51 C ATOM 115 CG TRP A 10 8.013 4.151 1.453 1.00 11.21 C ATOM 116 CD1 TRP A 10 8.719 4.144 2.611 1.00 60.15 C ATOM 117 CD2 TRP A 10 7.402 5.482 1.385 1.00 63.21 C ATOM 118 NE1 TRP A 10 8.665 5.392 3.198 1.00 20.21 N ATOM 119 CE2 TRP A 10 7.849 6.249 2.500 1.00 43.22 C ATOM 120 CE3 TRP A 10 6.503 6.121 0.503 1.00 2.13 C ATOM 121 CZ2 TRP A 10 7.455 7.579 2.715 1.00 14.03 C ATOM 122 CZ3 TRP A 10 6.090 7.452 0.711 1.00 43.42 C ATOM 123 CH2 TRP A 10 6.573 8.187 1.807 1.00 23.44 C ATOM 0 H TRP A 10 9.116 1.760 2.281 1.00 74.15 H new ATOM 0 HA TRP A 10 8.649 1.345 -0.581 1.00 72.21 H new ATOM 0 HB2 TRP A 10 7.499 3.424 -0.459 1.00 43.51 H new ATOM 0 HB3 TRP A 10 6.971 2.413 0.871 1.00 43.51 H new ATOM 0 HD1 TRP A 10 9.244 3.290 3.013 1.00 60.15 H new ATOM 0 HE1 TRP A 10 9.170 5.647 4.047 1.00 20.21 H new ATOM 0 HE3 TRP A 10 6.124 5.578 -0.350 1.00 2.13 H new ATOM 0 HZ2 TRP A 10 7.826 8.128 3.568 1.00 14.03 H new ATOM 0 HZ3 TRP A 10 5.396 7.911 0.022 1.00 43.42 H new ATOM 0 HH2 TRP A 10 6.268 9.213 1.950 1.00 23.44 H new ATOM 134 N THR A 11 11.364 2.616 0.338 1.00 24.31 N ATOM 135 CA THR A 11 12.602 3.271 -0.074 1.00 64.24 C ATOM 136 C THR A 11 13.659 2.337 -0.678 1.00 1.43 C ATOM 137 O THR A 11 14.483 2.825 -1.450 1.00 41.40 O ATOM 138 CB THR A 11 13.103 4.047 1.155 1.00 62.32 C ATOM 139 OG1 THR A 11 12.073 4.923 1.587 1.00 33.34 O ATOM 140 CG2 THR A 11 14.347 4.899 0.939 1.00 10.41 C ATOM 0 H THR A 11 11.457 2.071 1.195 1.00 24.31 H new ATOM 0 HA THR A 11 12.400 3.942 -0.909 1.00 64.24 H new ATOM 0 HB THR A 11 13.371 3.280 1.882 1.00 62.32 H new ATOM 0 HG1 THR A 11 12.378 5.424 2.372 1.00 33.34 H new ATOM 0 HG21 THR A 11 14.610 5.401 1.870 1.00 10.41 H new ATOM 0 HG22 THR A 11 15.174 4.262 0.623 1.00 10.41 H new ATOM 0 HG23 THR A 11 14.148 5.644 0.169 1.00 10.41 H new ATOM 148 N ASN A 12 13.674 1.035 -0.366 1.00 61.04 N ATOM 149 CA ASN A 12 14.671 0.101 -0.904 1.00 23.35 C ATOM 150 C ASN A 12 13.942 -1.166 -1.367 1.00 12.34 C ATOM 151 O ASN A 12 13.096 -1.662 -0.622 1.00 55.50 O ATOM 152 CB ASN A 12 15.773 -0.155 0.137 1.00 21.30 C ATOM 153 CG ASN A 12 16.595 1.115 0.388 1.00 61.22 C ATOM 154 OD1 ASN A 12 17.146 1.732 -0.521 1.00 23.41 O ATOM 155 ND2 ASN A 12 16.662 1.583 1.621 1.00 71.05 N ATOM 0 H ASN A 12 12.999 0.601 0.263 1.00 61.04 H new ATOM 0 HA ASN A 12 15.183 0.518 -1.771 1.00 23.35 H new ATOM 0 HB2 ASN A 12 15.325 -0.493 1.071 1.00 21.30 H new ATOM 0 HB3 ASN A 12 16.428 -0.954 -0.210 1.00 21.30 H new ATOM 0 HD21 ASN A 12 17.167 2.448 1.811 1.00 71.05 H new ATOM 0 HD22 ASN A 12 16.208 1.079 2.383 1.00 71.05 H new ATOM 162 N PRO A 13 14.260 -1.723 -2.553 1.00 4.53 N ATOM 163 CA PRO A 13 13.573 -2.892 -3.102 1.00 43.33 C ATOM 164 C PRO A 13 13.738 -4.205 -2.336 1.00 40.42 C ATOM 165 O PRO A 13 12.861 -5.064 -2.440 1.00 2.32 O ATOM 166 CB PRO A 13 14.035 -2.998 -4.555 1.00 2.32 C ATOM 167 CG PRO A 13 15.408 -2.338 -4.550 1.00 1.44 C ATOM 168 CD PRO A 13 15.254 -1.237 -3.502 1.00 51.32 C ATOM 0 HA PRO A 13 12.498 -2.734 -3.011 1.00 43.33 H new ATOM 0 HB2 PRO A 13 14.092 -4.036 -4.882 1.00 2.32 H new ATOM 0 HB3 PRO A 13 13.349 -2.488 -5.231 1.00 2.32 H new ATOM 0 HG2 PRO A 13 16.194 -3.044 -4.282 1.00 1.44 H new ATOM 0 HG3 PRO A 13 15.664 -1.931 -5.528 1.00 1.44 H new ATOM 0 HD2 PRO A 13 16.203 -1.036 -3.005 1.00 51.32 H new ATOM 0 HD3 PRO A 13 14.931 -0.303 -3.962 1.00 51.32 H new ATOM 176 N GLY A 14 14.812 -4.375 -1.560 1.00 43.35 N ATOM 177 CA GLY A 14 15.007 -5.602 -0.795 1.00 54.44 C ATOM 178 C GLY A 14 13.911 -5.712 0.260 1.00 30.53 C ATOM 179 O GLY A 14 13.203 -6.716 0.349 1.00 44.02 O ATOM 0 H GLY A 14 15.552 -3.683 -1.448 1.00 43.35 H new ATOM 0 HA2 GLY A 14 14.979 -6.467 -1.458 1.00 54.44 H new ATOM 0 HA3 GLY A 14 15.988 -5.597 -0.319 1.00 54.44 H new ATOM 183 N LEU A 15 13.740 -4.650 1.048 1.00 55.22 N ATOM 184 CA LEU A 15 12.723 -4.604 2.086 1.00 0.30 C ATOM 185 C LEU A 15 11.335 -4.569 1.428 1.00 14.10 C ATOM 186 O LEU A 15 10.400 -5.175 1.948 1.00 63.01 O ATOM 187 CB LEU A 15 12.980 -3.388 2.995 1.00 11.03 C ATOM 188 CG LEU A 15 12.537 -3.557 4.466 1.00 74.14 C ATOM 189 CD1 LEU A 15 11.097 -4.026 4.669 1.00 41.22 C ATOM 190 CD2 LEU A 15 13.449 -4.515 5.230 1.00 72.42 C ATOM 0 H LEU A 15 14.303 -3.802 0.981 1.00 55.22 H new ATOM 0 HA LEU A 15 12.765 -5.493 2.715 1.00 0.30 H new ATOM 0 HB2 LEU A 15 14.046 -3.161 2.978 1.00 11.03 H new ATOM 0 HB3 LEU A 15 12.464 -2.525 2.574 1.00 11.03 H new ATOM 0 HG LEU A 15 12.609 -2.543 4.858 1.00 74.14 H new ATOM 0 HD11 LEU A 15 10.889 -4.112 5.736 1.00 41.22 H new ATOM 0 HD12 LEU A 15 10.413 -3.304 4.223 1.00 41.22 H new ATOM 0 HD13 LEU A 15 10.960 -4.997 4.193 1.00 41.22 H new ATOM 0 HD21 LEU A 15 13.102 -4.605 6.259 1.00 72.42 H new ATOM 0 HD22 LEU A 15 13.428 -5.495 4.753 1.00 72.42 H new ATOM 0 HD23 LEU A 15 14.469 -4.130 5.223 1.00 72.42 H new ATOM 202 N ALA A 16 11.199 -3.907 0.269 1.00 54.03 N ATOM 203 CA ALA A 16 9.941 -3.806 -0.461 1.00 63.13 C ATOM 204 C ALA A 16 9.355 -5.190 -0.722 1.00 43.10 C ATOM 205 O ALA A 16 8.191 -5.423 -0.417 1.00 33.33 O ATOM 206 CB ALA A 16 10.147 -3.073 -1.789 1.00 1.11 C ATOM 0 H ALA A 16 11.973 -3.424 -0.187 1.00 54.03 H new ATOM 0 HA ALA A 16 9.241 -3.238 0.153 1.00 63.13 H new ATOM 0 HB1 ALA A 16 9.197 -3.007 -2.320 1.00 1.11 H new ATOM 0 HB2 ALA A 16 10.525 -2.069 -1.596 1.00 1.11 H new ATOM 0 HB3 ALA A 16 10.866 -3.620 -2.399 1.00 1.11 H new ATOM 212 N GLU A 17 10.159 -6.111 -1.255 1.00 40.51 N ATOM 213 CA GLU A 17 9.743 -7.475 -1.563 1.00 73.52 C ATOM 214 C GLU A 17 9.131 -8.162 -0.338 1.00 13.35 C ATOM 215 O GLU A 17 8.135 -8.884 -0.452 1.00 65.11 O ATOM 216 CB GLU A 17 10.969 -8.221 -2.104 1.00 53.24 C ATOM 217 CG GLU A 17 10.706 -9.697 -2.430 1.00 25.15 C ATOM 218 CD GLU A 17 11.767 -10.266 -3.379 1.00 54.00 C ATOM 219 OE1 GLU A 17 12.028 -9.623 -4.429 1.00 54.24 O ATOM 220 OE2 GLU A 17 12.274 -11.380 -3.129 1.00 62.41 O ATOM 0 H GLU A 17 11.134 -5.924 -1.488 1.00 40.51 H new ATOM 0 HA GLU A 17 8.957 -7.475 -2.318 1.00 73.52 H new ATOM 0 HB2 GLU A 17 11.320 -7.717 -3.005 1.00 53.24 H new ATOM 0 HB3 GLU A 17 11.773 -8.159 -1.370 1.00 53.24 H new ATOM 0 HG2 GLU A 17 10.695 -10.277 -1.507 1.00 25.15 H new ATOM 0 HG3 GLU A 17 9.720 -9.799 -2.883 1.00 25.15 H new ATOM 227 N ASN A 18 9.718 -7.921 0.838 1.00 65.51 N ATOM 228 CA ASN A 18 9.252 -8.495 2.092 1.00 72.12 C ATOM 229 C ASN A 18 7.984 -7.798 2.592 1.00 51.04 C ATOM 230 O ASN A 18 7.171 -8.432 3.264 1.00 42.25 O ATOM 231 CB ASN A 18 10.381 -8.476 3.130 1.00 35.03 C ATOM 232 CG ASN A 18 10.161 -9.537 4.200 1.00 53.44 C ATOM 233 OD1 ASN A 18 9.519 -10.556 3.973 1.00 51.13 O ATOM 234 ND2 ASN A 18 10.688 -9.353 5.393 1.00 53.12 N ATOM 0 H ASN A 18 10.534 -7.318 0.941 1.00 65.51 H new ATOM 0 HA ASN A 18 8.977 -9.536 1.921 1.00 72.12 H new ATOM 0 HB2 ASN A 18 11.337 -8.647 2.635 1.00 35.03 H new ATOM 0 HB3 ASN A 18 10.435 -7.492 3.595 1.00 35.03 H new ATOM 0 HD21 ASN A 18 10.561 -10.056 6.121 1.00 53.12 H new ATOM 0 HD22 ASN A 18 11.224 -8.507 5.589 1.00 53.12 H new ATOM 241 N PHE A 19 7.789 -6.509 2.288 1.00 1.31 N ATOM 242 CA PHE A 19 6.593 -5.757 2.672 1.00 15.15 C ATOM 243 C PHE A 19 5.415 -6.350 1.908 1.00 60.34 C ATOM 244 O PHE A 19 4.366 -6.593 2.500 1.00 63.53 O ATOM 245 CB PHE A 19 6.759 -4.256 2.398 1.00 10.32 C ATOM 246 CG PHE A 19 5.478 -3.432 2.312 1.00 64.31 C ATOM 247 CD1 PHE A 19 4.960 -3.058 1.054 1.00 64.00 C ATOM 248 CD2 PHE A 19 4.839 -2.974 3.480 1.00 14.43 C ATOM 249 CE1 PHE A 19 3.860 -2.188 0.968 1.00 55.04 C ATOM 250 CE2 PHE A 19 3.738 -2.101 3.391 1.00 42.33 C ATOM 251 CZ PHE A 19 3.249 -1.704 2.136 1.00 23.21 C ATOM 0 H PHE A 19 8.466 -5.955 1.763 1.00 1.31 H new ATOM 0 HA PHE A 19 6.420 -5.843 3.745 1.00 15.15 H new ATOM 0 HB2 PHE A 19 7.384 -3.833 3.185 1.00 10.32 H new ATOM 0 HB3 PHE A 19 7.303 -4.139 1.461 1.00 10.32 H new ATOM 0 HD1 PHE A 19 5.412 -3.443 0.152 1.00 64.00 H new ATOM 0 HD2 PHE A 19 5.195 -3.294 4.448 1.00 14.43 H new ATOM 0 HE1 PHE A 19 3.483 -1.891 0.001 1.00 55.04 H new ATOM 0 HE2 PHE A 19 3.268 -1.735 4.292 1.00 42.33 H new ATOM 0 HZ PHE A 19 2.408 -1.030 2.069 1.00 23.21 H new ATOM 261 N LEU A 20 5.585 -6.609 0.604 1.00 14.21 N ATOM 262 CA LEU A 20 4.511 -7.198 -0.184 1.00 55.34 C ATOM 263 C LEU A 20 4.218 -8.591 0.348 1.00 53.12 C ATOM 264 O LEU A 20 3.052 -8.913 0.553 1.00 3.55 O ATOM 265 CB LEU A 20 4.848 -7.314 -1.679 1.00 23.01 C ATOM 266 CG LEU A 20 4.755 -6.027 -2.509 1.00 53.32 C ATOM 267 CD1 LEU A 20 3.497 -5.199 -2.250 1.00 23.32 C ATOM 268 CD2 LEU A 20 5.968 -5.138 -2.366 1.00 24.52 C ATOM 0 H LEU A 20 6.443 -6.421 0.086 1.00 14.21 H new ATOM 0 HA LEU A 20 3.650 -6.536 -0.092 1.00 55.34 H new ATOM 0 HB2 LEU A 20 5.861 -7.705 -1.770 1.00 23.01 H new ATOM 0 HB3 LEU A 20 4.180 -8.053 -2.122 1.00 23.01 H new ATOM 0 HG LEU A 20 4.704 -6.398 -3.533 1.00 53.32 H new ATOM 0 HD11 LEU A 20 3.512 -4.308 -2.877 1.00 23.32 H new ATOM 0 HD12 LEU A 20 2.615 -5.794 -2.486 1.00 23.32 H new ATOM 0 HD13 LEU A 20 3.465 -4.904 -1.201 1.00 23.32 H new ATOM 0 HD21 LEU A 20 5.839 -4.245 -2.978 1.00 24.52 H new ATOM 0 HD22 LEU A 20 6.086 -4.848 -1.322 1.00 24.52 H new ATOM 0 HD23 LEU A 20 6.856 -5.678 -2.695 1.00 24.52 H new ATOM 280 N ASN A 21 5.258 -9.399 0.594 1.00 11.10 N ATOM 281 CA ASN A 21 5.079 -10.758 1.093 1.00 61.24 C ATOM 282 C ASN A 21 4.297 -10.770 2.404 1.00 73.41 C ATOM 283 O ASN A 21 3.264 -11.423 2.478 1.00 23.15 O ATOM 284 CB ASN A 21 6.439 -11.446 1.274 1.00 62.13 C ATOM 285 CG ASN A 21 6.261 -12.919 1.619 1.00 50.35 C ATOM 286 OD1 ASN A 21 6.072 -13.750 0.731 1.00 3.44 O ATOM 287 ND2 ASN A 21 6.338 -13.277 2.886 1.00 60.15 N ATOM 0 H ASN A 21 6.232 -9.129 0.453 1.00 11.10 H new ATOM 0 HA ASN A 21 4.501 -11.312 0.354 1.00 61.24 H new ATOM 0 HB2 ASN A 21 7.024 -11.351 0.359 1.00 62.13 H new ATOM 0 HB3 ASN A 21 7.001 -10.948 2.065 1.00 62.13 H new ATOM 0 HD21 ASN A 21 6.240 -14.259 3.145 1.00 60.15 H new ATOM 0 HD22 ASN A 21 6.495 -12.572 3.606 1.00 60.15 H new ATOM 294 N SER A 22 4.724 -9.999 3.405 1.00 61.54 N ATOM 295 CA SER A 22 4.060 -9.936 4.705 1.00 45.10 C ATOM 296 C SER A 22 2.620 -9.434 4.568 1.00 54.41 C ATOM 297 O SER A 22 1.696 -9.990 5.166 1.00 25.05 O ATOM 298 CB SER A 22 4.901 -9.081 5.662 1.00 23.34 C ATOM 299 OG SER A 22 5.299 -7.856 5.080 1.00 45.42 O ATOM 0 H SER A 22 5.545 -9.398 3.335 1.00 61.54 H new ATOM 0 HA SER A 22 3.986 -10.938 5.128 1.00 45.10 H new ATOM 0 HB2 SER A 22 4.327 -8.881 6.567 1.00 23.34 H new ATOM 0 HB3 SER A 22 5.786 -9.641 5.964 1.00 23.34 H new ATOM 0 HG SER A 22 6.184 -7.960 4.672 1.00 45.42 H new ATOM 305 N PHE A 23 2.405 -8.406 3.744 1.00 74.25 N ATOM 306 CA PHE A 23 1.085 -7.849 3.524 1.00 21.33 C ATOM 307 C PHE A 23 0.154 -8.906 2.926 1.00 64.11 C ATOM 308 O PHE A 23 -0.917 -9.175 3.469 1.00 54.14 O ATOM 309 CB PHE A 23 1.180 -6.603 2.637 1.00 1.15 C ATOM 310 CG PHE A 23 -0.171 -6.009 2.297 1.00 54.23 C ATOM 311 CD1 PHE A 23 -0.661 -6.082 0.980 1.00 12.01 C ATOM 312 CD2 PHE A 23 -0.952 -5.402 3.298 1.00 30.24 C ATOM 313 CE1 PHE A 23 -1.911 -5.526 0.665 1.00 71.54 C ATOM 314 CE2 PHE A 23 -2.222 -4.887 2.990 1.00 75.33 C ATOM 315 CZ PHE A 23 -2.697 -4.937 1.669 1.00 32.10 C ATOM 0 H PHE A 23 3.145 -7.943 3.216 1.00 74.25 H new ATOM 0 HA PHE A 23 0.659 -7.543 4.480 1.00 21.33 H new ATOM 0 HB2 PHE A 23 1.784 -5.850 3.143 1.00 1.15 H new ATOM 0 HB3 PHE A 23 1.699 -6.861 1.714 1.00 1.15 H new ATOM 0 HD1 PHE A 23 -0.076 -6.566 0.212 1.00 12.01 H new ATOM 0 HD2 PHE A 23 -0.573 -5.332 4.307 1.00 30.24 H new ATOM 0 HE1 PHE A 23 -2.270 -5.551 -0.353 1.00 71.54 H new ATOM 0 HE2 PHE A 23 -2.833 -4.453 3.768 1.00 75.33 H new ATOM 0 HZ PHE A 23 -3.665 -4.523 1.426 1.00 32.10 H new ATOM 325 N LEU A 24 0.555 -9.519 1.816 1.00 43.03 N ATOM 326 CA LEU A 24 -0.232 -10.533 1.114 1.00 71.43 C ATOM 327 C LEU A 24 -0.498 -11.749 1.981 1.00 23.30 C ATOM 328 O LEU A 24 -1.615 -12.268 1.946 1.00 41.32 O ATOM 329 CB LEU A 24 0.498 -11.014 -0.147 1.00 60.34 C ATOM 330 CG LEU A 24 0.545 -9.956 -1.258 1.00 22.13 C ATOM 331 CD1 LEU A 24 1.748 -10.229 -2.154 1.00 55.14 C ATOM 332 CD2 LEU A 24 -0.745 -9.951 -2.100 1.00 34.01 C ATOM 0 H LEU A 24 1.451 -9.323 1.370 1.00 43.03 H new ATOM 0 HA LEU A 24 -1.178 -10.057 0.855 1.00 71.43 H new ATOM 0 HB2 LEU A 24 1.516 -11.300 0.117 1.00 60.34 H new ATOM 0 HB3 LEU A 24 0.004 -11.908 -0.526 1.00 60.34 H new ATOM 0 HG LEU A 24 0.635 -8.975 -0.792 1.00 22.13 H new ATOM 0 HD11 LEU A 24 1.789 -9.481 -2.946 1.00 55.14 H new ATOM 0 HD12 LEU A 24 2.662 -10.180 -1.561 1.00 55.14 H new ATOM 0 HD13 LEU A 24 1.655 -11.221 -2.596 1.00 55.14 H new ATOM 0 HD21 LEU A 24 -0.671 -9.188 -2.875 1.00 34.01 H new ATOM 0 HD22 LEU A 24 -0.880 -10.928 -2.564 1.00 34.01 H new ATOM 0 HD23 LEU A 24 -1.598 -9.734 -1.457 1.00 34.01 H new ATOM 344 N GLN A 25 0.497 -12.184 2.761 1.00 60.35 N ATOM 345 CA GLN A 25 0.416 -13.343 3.638 1.00 10.03 C ATOM 346 C GLN A 25 -0.822 -13.273 4.523 1.00 63.11 C ATOM 347 O GLN A 25 -1.567 -14.255 4.598 1.00 13.02 O ATOM 348 CB GLN A 25 1.702 -13.466 4.476 1.00 2.41 C ATOM 349 CG GLN A 25 2.832 -14.177 3.718 1.00 11.54 C ATOM 350 CD GLN A 25 2.557 -15.664 3.610 1.00 54.23 C ATOM 351 OE1 GLN A 25 1.891 -16.107 2.681 1.00 54.41 O ATOM 352 NE2 GLN A 25 3.001 -16.450 4.574 1.00 21.11 N ATOM 0 H GLN A 25 1.405 -11.721 2.796 1.00 60.35 H new ATOM 0 HA GLN A 25 0.324 -14.239 3.024 1.00 10.03 H new ATOM 0 HB2 GLN A 25 2.036 -12.471 4.771 1.00 2.41 H new ATOM 0 HB3 GLN A 25 1.483 -14.013 5.393 1.00 2.41 H new ATOM 0 HG2 GLN A 25 2.933 -13.748 2.721 1.00 11.54 H new ATOM 0 HG3 GLN A 25 3.779 -14.014 4.232 1.00 11.54 H new ATOM 0 HE21 GLN A 25 3.553 -16.059 5.337 1.00 21.11 H new ATOM 0 HE22 GLN A 25 2.791 -17.448 4.555 1.00 21.11 H new ATOM 361 N GLY A 26 -1.035 -12.131 5.175 1.00 33.41 N ATOM 362 CA GLY A 26 -2.181 -11.937 6.038 1.00 64.33 C ATOM 363 C GLY A 26 -3.449 -11.508 5.302 1.00 33.41 C ATOM 364 O GLY A 26 -4.530 -12.046 5.567 1.00 64.10 O ATOM 0 H GLY A 26 -0.416 -11.322 5.115 1.00 33.41 H new ATOM 0 HA2 GLY A 26 -2.381 -12.865 6.573 1.00 64.33 H new ATOM 0 HA3 GLY A 26 -1.936 -11.184 6.787 1.00 64.33 H new ATOM 368 N LEU A 27 -3.344 -10.542 4.383 1.00 30.03 N ATOM 369 CA LEU A 27 -4.466 -9.993 3.627 1.00 73.43 C ATOM 370 C LEU A 27 -5.302 -11.070 2.936 1.00 41.03 C ATOM 371 O LEU A 27 -6.523 -10.971 2.983 1.00 21.12 O ATOM 372 CB LEU A 27 -3.948 -8.920 2.653 1.00 15.12 C ATOM 373 CG LEU A 27 -4.935 -7.901 2.075 1.00 14.12 C ATOM 374 CD1 LEU A 27 -5.914 -8.545 1.108 1.00 32.34 C ATOM 375 CD2 LEU A 27 -5.671 -7.071 3.129 1.00 42.13 C ATOM 0 H LEU A 27 -2.451 -10.112 4.141 1.00 30.03 H new ATOM 0 HA LEU A 27 -5.155 -9.520 4.327 1.00 73.43 H new ATOM 0 HB2 LEU A 27 -3.163 -8.363 3.164 1.00 15.12 H new ATOM 0 HB3 LEU A 27 -3.479 -9.436 1.815 1.00 15.12 H new ATOM 0 HG LEU A 27 -4.315 -7.196 1.521 1.00 14.12 H new ATOM 0 HD11 LEU A 27 -6.596 -7.787 0.722 1.00 32.34 H new ATOM 0 HD12 LEU A 27 -5.365 -8.995 0.281 1.00 32.34 H new ATOM 0 HD13 LEU A 27 -6.484 -9.315 1.627 1.00 32.34 H new ATOM 0 HD21 LEU A 27 -6.349 -6.375 2.635 1.00 42.13 H new ATOM 0 HD22 LEU A 27 -6.241 -7.733 3.781 1.00 42.13 H new ATOM 0 HD23 LEU A 27 -4.947 -6.513 3.723 1.00 42.13 H new ATOM 387 N SER A 28 -4.692 -12.108 2.353 1.00 34.35 N ATOM 388 CA SER A 28 -5.443 -13.173 1.678 1.00 42.32 C ATOM 389 C SER A 28 -6.450 -13.866 2.602 1.00 73.33 C ATOM 390 O SER A 28 -7.463 -14.405 2.140 1.00 52.33 O ATOM 391 CB SER A 28 -4.469 -14.199 1.095 1.00 55.11 C ATOM 392 OG SER A 28 -3.730 -14.856 2.114 1.00 71.51 O ATOM 0 H SER A 28 -3.680 -12.233 2.335 1.00 34.35 H new ATOM 0 HA SER A 28 -6.019 -12.707 0.878 1.00 42.32 H new ATOM 0 HB2 SER A 28 -5.022 -14.936 0.513 1.00 55.11 H new ATOM 0 HB3 SER A 28 -3.782 -13.701 0.410 1.00 55.11 H new ATOM 0 HG SER A 28 -3.119 -15.505 1.708 1.00 71.51 H new ATOM 398 N SER A 29 -6.157 -13.899 3.904 1.00 60.43 N ATOM 399 CA SER A 29 -7.014 -14.513 4.898 1.00 13.23 C ATOM 400 C SER A 29 -7.999 -13.513 5.499 1.00 15.45 C ATOM 401 O SER A 29 -9.020 -13.929 6.042 1.00 11.44 O ATOM 402 CB SER A 29 -6.150 -15.139 5.995 1.00 35.23 C ATOM 403 OG SER A 29 -5.348 -16.171 5.445 1.00 11.22 O ATOM 0 H SER A 29 -5.306 -13.493 4.293 1.00 60.43 H new ATOM 0 HA SER A 29 -7.604 -15.287 4.407 1.00 13.23 H new ATOM 0 HB2 SER A 29 -5.517 -14.378 6.451 1.00 35.23 H new ATOM 0 HB3 SER A 29 -6.784 -15.541 6.785 1.00 35.23 H new ATOM 0 HG SER A 29 -4.796 -16.567 6.151 1.00 11.22 H new ATOM 409 N MET A 30 -7.704 -12.216 5.450 1.00 24.33 N ATOM 410 CA MET A 30 -8.570 -11.190 6.005 1.00 43.21 C ATOM 411 C MET A 30 -9.875 -11.077 5.206 1.00 53.31 C ATOM 412 O MET A 30 -9.927 -11.426 4.023 1.00 53.24 O ATOM 413 CB MET A 30 -7.808 -9.853 6.005 1.00 13.32 C ATOM 414 CG MET A 30 -6.733 -9.829 7.094 1.00 15.44 C ATOM 415 SD MET A 30 -7.359 -9.645 8.783 1.00 21.30 S ATOM 416 CE MET A 30 -7.720 -7.872 8.820 1.00 15.13 C ATOM 0 H MET A 30 -6.854 -11.850 5.022 1.00 24.33 H new ATOM 0 HA MET A 30 -8.842 -11.457 7.026 1.00 43.21 H new ATOM 0 HB2 MET A 30 -7.346 -9.695 5.031 1.00 13.32 H new ATOM 0 HB3 MET A 30 -8.508 -9.032 6.163 1.00 13.32 H new ATOM 0 HG2 MET A 30 -6.156 -10.752 7.035 1.00 15.44 H new ATOM 0 HG3 MET A 30 -6.045 -9.010 6.886 1.00 15.44 H new ATOM 0 HE1 MET A 30 -7.944 -7.568 9.842 1.00 15.13 H new ATOM 0 HE2 MET A 30 -6.855 -7.317 8.458 1.00 15.13 H new ATOM 0 HE3 MET A 30 -8.579 -7.662 8.182 1.00 15.13 H new ATOM 426 N PRO A 31 -10.939 -10.521 5.810 1.00 24.21 N ATOM 427 CA PRO A 31 -12.221 -10.337 5.137 1.00 54.33 C ATOM 428 C PRO A 31 -12.178 -9.141 4.165 1.00 52.32 C ATOM 429 O PRO A 31 -13.194 -8.774 3.575 1.00 25.31 O ATOM 430 CB PRO A 31 -13.220 -10.120 6.270 1.00 54.34 C ATOM 431 CG PRO A 31 -12.393 -9.435 7.356 1.00 43.34 C ATOM 432 CD PRO A 31 -11.014 -10.071 7.196 1.00 24.41 C ATOM 0 HA PRO A 31 -12.493 -11.192 4.518 1.00 54.33 H new ATOM 0 HB2 PRO A 31 -14.057 -9.498 5.952 1.00 54.34 H new ATOM 0 HB3 PRO A 31 -13.639 -11.063 6.621 1.00 54.34 H new ATOM 0 HG2 PRO A 31 -12.357 -8.355 7.214 1.00 43.34 H new ATOM 0 HG3 PRO A 31 -12.806 -9.613 8.349 1.00 43.34 H new ATOM 0 HD2 PRO A 31 -10.225 -9.352 7.417 1.00 24.41 H new ATOM 0 HD3 PRO A 31 -10.887 -10.906 7.885 1.00 24.41 H new ATOM 440 N GLY A 32 -11.017 -8.498 4.021 1.00 63.35 N ATOM 441 CA GLY A 32 -10.767 -7.360 3.162 1.00 54.14 C ATOM 442 C GLY A 32 -10.934 -7.775 1.718 1.00 43.11 C ATOM 443 O GLY A 32 -12.025 -7.622 1.176 1.00 20.44 O ATOM 0 H GLY A 32 -10.183 -8.782 4.535 1.00 63.35 H new ATOM 0 HA2 GLY A 32 -11.457 -6.551 3.402 1.00 54.14 H new ATOM 0 HA3 GLY A 32 -9.759 -6.979 3.328 1.00 54.14 H new ATOM 447 N PHE A 33 -9.873 -8.270 1.078 1.00 62.13 N ATOM 448 CA PHE A 33 -9.980 -8.718 -0.305 1.00 35.33 C ATOM 449 C PHE A 33 -10.271 -10.211 -0.287 1.00 52.43 C ATOM 450 O PHE A 33 -9.571 -10.967 0.387 1.00 50.12 O ATOM 451 CB PHE A 33 -8.690 -8.465 -1.079 1.00 25.21 C ATOM 452 CG PHE A 33 -8.400 -7.006 -1.348 1.00 20.42 C ATOM 453 CD1 PHE A 33 -8.128 -6.116 -0.293 1.00 54.31 C ATOM 454 CD2 PHE A 33 -8.390 -6.535 -2.671 1.00 41.32 C ATOM 455 CE1 PHE A 33 -7.897 -4.764 -0.565 1.00 73.32 C ATOM 456 CE2 PHE A 33 -8.168 -5.174 -2.933 1.00 41.35 C ATOM 457 CZ PHE A 33 -7.958 -4.281 -1.877 1.00 21.52 C ATOM 0 H PHE A 33 -8.945 -8.369 1.490 1.00 62.13 H new ATOM 0 HA PHE A 33 -10.776 -8.162 -0.801 1.00 35.33 H new ATOM 0 HB2 PHE A 33 -7.856 -8.892 -0.522 1.00 25.21 H new ATOM 0 HB3 PHE A 33 -8.742 -8.994 -2.030 1.00 25.21 H new ATOM 0 HD1 PHE A 33 -8.098 -6.476 0.725 1.00 54.31 H new ATOM 0 HD2 PHE A 33 -8.553 -7.221 -3.489 1.00 41.32 H new ATOM 0 HE1 PHE A 33 -7.669 -4.086 0.245 1.00 73.32 H new ATOM 0 HE2 PHE A 33 -8.159 -4.816 -3.952 1.00 41.35 H new ATOM 0 HZ PHE A 33 -7.844 -3.225 -2.073 1.00 21.52 H new ATOM 467 N THR A 34 -11.317 -10.628 -0.989 1.00 53.11 N ATOM 468 CA THR A 34 -11.681 -12.029 -1.082 1.00 21.45 C ATOM 469 C THR A 34 -10.632 -12.737 -1.951 1.00 35.24 C ATOM 470 O THR A 34 -9.959 -12.096 -2.765 1.00 22.35 O ATOM 471 CB THR A 34 -13.118 -12.160 -1.622 1.00 30.21 C ATOM 472 OG1 THR A 34 -13.531 -11.055 -2.411 1.00 44.30 O ATOM 473 CG2 THR A 34 -14.093 -12.237 -0.451 1.00 53.42 C ATOM 0 H THR A 34 -11.934 -10.003 -1.508 1.00 53.11 H new ATOM 0 HA THR A 34 -11.683 -12.510 -0.104 1.00 21.45 H new ATOM 0 HB THR A 34 -13.121 -13.057 -2.242 1.00 30.21 H new ATOM 0 HG1 THR A 34 -13.863 -10.342 -1.827 1.00 44.30 H new ATOM 0 HG21 THR A 34 -15.111 -12.330 -0.830 1.00 53.42 H new ATOM 0 HG22 THR A 34 -13.855 -13.104 0.164 1.00 53.42 H new ATOM 0 HG23 THR A 34 -14.011 -11.332 0.151 1.00 53.42 H new ATOM 481 N ALA A 35 -10.533 -14.066 -1.832 1.00 51.03 N ATOM 482 CA ALA A 35 -9.567 -14.876 -2.573 1.00 14.24 C ATOM 483 C ALA A 35 -9.564 -14.611 -4.085 1.00 31.13 C ATOM 484 O ALA A 35 -8.504 -14.685 -4.704 1.00 22.05 O ATOM 485 CB ALA A 35 -9.809 -16.359 -2.277 1.00 61.02 C ATOM 0 H ALA A 35 -11.129 -14.613 -1.211 1.00 51.03 H new ATOM 0 HA ALA A 35 -8.576 -14.583 -2.227 1.00 14.24 H new ATOM 0 HB1 ALA A 35 -9.089 -16.963 -2.829 1.00 61.02 H new ATOM 0 HB2 ALA A 35 -9.691 -16.541 -1.209 1.00 61.02 H new ATOM 0 HB3 ALA A 35 -10.820 -16.631 -2.582 1.00 61.02 H new ATOM 491 N SER A 36 -10.714 -14.316 -4.695 1.00 10.01 N ATOM 492 CA SER A 36 -10.826 -14.035 -6.125 1.00 33.13 C ATOM 493 C SER A 36 -10.076 -12.757 -6.504 1.00 41.30 C ATOM 494 O SER A 36 -9.422 -12.690 -7.544 1.00 43.31 O ATOM 495 CB SER A 36 -12.325 -13.908 -6.453 1.00 33.14 C ATOM 496 OG SER A 36 -12.982 -12.994 -5.579 1.00 73.31 O ATOM 0 H SER A 36 -11.605 -14.265 -4.201 1.00 10.01 H new ATOM 0 HA SER A 36 -10.374 -14.842 -6.701 1.00 33.13 H new ATOM 0 HB2 SER A 36 -12.445 -13.575 -7.484 1.00 33.14 H new ATOM 0 HB3 SER A 36 -12.798 -14.887 -6.377 1.00 33.14 H new ATOM 0 HG SER A 36 -13.931 -12.938 -5.818 1.00 73.31 H new ATOM 502 N GLN A 37 -10.185 -11.742 -5.649 1.00 24.51 N ATOM 503 CA GLN A 37 -9.579 -10.434 -5.796 1.00 4.42 C ATOM 504 C GLN A 37 -8.063 -10.526 -5.602 1.00 53.24 C ATOM 505 O GLN A 37 -7.330 -9.778 -6.248 1.00 74.44 O ATOM 506 CB GLN A 37 -10.221 -9.447 -4.814 1.00 51.11 C ATOM 507 CG GLN A 37 -11.757 -9.515 -4.707 1.00 51.30 C ATOM 508 CD GLN A 37 -12.500 -9.229 -6.010 1.00 22.32 C ATOM 509 OE1 GLN A 37 -12.820 -8.084 -6.298 1.00 11.31 O ATOM 510 NE2 GLN A 37 -12.822 -10.244 -6.793 1.00 54.33 N ATOM 0 H GLN A 37 -10.730 -11.822 -4.790 1.00 24.51 H new ATOM 0 HA GLN A 37 -9.757 -10.063 -6.805 1.00 4.42 H new ATOM 0 HB2 GLN A 37 -9.798 -9.620 -3.824 1.00 51.11 H new ATOM 0 HB3 GLN A 37 -9.940 -8.436 -5.108 1.00 51.11 H new ATOM 0 HG2 GLN A 37 -12.040 -10.507 -4.353 1.00 51.30 H new ATOM 0 HG3 GLN A 37 -12.087 -8.801 -3.952 1.00 51.30 H new ATOM 0 HE21 GLN A 37 -12.547 -11.192 -6.538 1.00 54.33 H new ATOM 0 HE22 GLN A 37 -13.345 -10.079 -7.653 1.00 54.33 H new ATOM 519 N LEU A 38 -7.570 -11.427 -4.734 1.00 23.53 N ATOM 520 CA LEU A 38 -6.136 -11.605 -4.500 1.00 1.33 C ATOM 521 C LEU A 38 -5.383 -11.905 -5.800 1.00 53.15 C ATOM 522 O LEU A 38 -4.169 -11.689 -5.861 1.00 41.53 O ATOM 523 CB LEU A 38 -5.842 -12.701 -3.452 1.00 1.24 C ATOM 524 CG LEU A 38 -5.677 -12.224 -2.000 1.00 2.50 C ATOM 525 CD1 LEU A 38 -4.521 -11.231 -1.822 1.00 31.41 C ATOM 526 CD2 LEU A 38 -6.961 -11.603 -1.456 1.00 21.13 C ATOM 0 H LEU A 38 -8.158 -12.049 -4.179 1.00 23.53 H new ATOM 0 HA LEU A 38 -5.776 -10.657 -4.101 1.00 1.33 H new ATOM 0 HB2 LEU A 38 -6.651 -13.431 -3.483 1.00 1.24 H new ATOM 0 HB3 LEU A 38 -4.931 -13.222 -3.747 1.00 1.24 H new ATOM 0 HG LEU A 38 -5.441 -13.122 -1.430 1.00 2.50 H new ATOM 0 HD11 LEU A 38 -4.456 -10.932 -0.776 1.00 31.41 H new ATOM 0 HD12 LEU A 38 -3.586 -11.703 -2.123 1.00 31.41 H new ATOM 0 HD13 LEU A 38 -4.699 -10.351 -2.441 1.00 31.41 H new ATOM 0 HD21 LEU A 38 -6.801 -11.279 -0.428 1.00 21.13 H new ATOM 0 HD22 LEU A 38 -7.238 -10.744 -2.068 1.00 21.13 H new ATOM 0 HD23 LEU A 38 -7.762 -12.341 -1.484 1.00 21.13 H new ATOM 538 N ASP A 39 -6.073 -12.437 -6.814 1.00 74.24 N ATOM 539 CA ASP A 39 -5.473 -12.743 -8.104 1.00 62.41 C ATOM 540 C ASP A 39 -4.888 -11.474 -8.733 1.00 72.24 C ATOM 541 O ASP A 39 -3.755 -11.489 -9.214 1.00 10.10 O ATOM 542 CB ASP A 39 -6.494 -13.409 -9.030 1.00 25.02 C ATOM 543 CG ASP A 39 -5.770 -14.022 -10.229 1.00 63.53 C ATOM 544 OD1 ASP A 39 -6.161 -13.755 -11.386 1.00 23.34 O ATOM 545 OD2 ASP A 39 -4.832 -14.824 -10.015 1.00 10.33 O ATOM 0 H ASP A 39 -7.065 -12.666 -6.757 1.00 74.24 H new ATOM 0 HA ASP A 39 -4.657 -13.449 -7.953 1.00 62.41 H new ATOM 0 HB2 ASP A 39 -7.042 -14.180 -8.489 1.00 25.02 H new ATOM 0 HB3 ASP A 39 -7.226 -12.676 -9.369 1.00 25.02 H new ATOM 550 N ASP A 40 -5.625 -10.358 -8.696 1.00 22.03 N ATOM 551 CA ASP A 40 -5.191 -9.064 -9.241 1.00 4.53 C ATOM 552 C ASP A 40 -4.043 -8.521 -8.381 1.00 53.42 C ATOM 553 O ASP A 40 -3.017 -8.044 -8.875 1.00 61.42 O ATOM 554 CB ASP A 40 -6.371 -8.070 -9.259 1.00 42.12 C ATOM 555 CG ASP A 40 -6.096 -6.768 -10.038 1.00 33.14 C ATOM 556 OD1 ASP A 40 -5.104 -6.705 -10.801 1.00 24.23 O ATOM 557 OD2 ASP A 40 -6.908 -5.821 -9.916 1.00 12.42 O ATOM 0 H ASP A 40 -6.556 -10.327 -8.280 1.00 22.03 H new ATOM 0 HA ASP A 40 -4.844 -9.195 -10.266 1.00 4.53 H new ATOM 0 HB2 ASP A 40 -7.239 -8.564 -9.696 1.00 42.12 H new ATOM 0 HB3 ASP A 40 -6.632 -7.816 -8.232 1.00 42.12 H new ATOM 562 N LEU A 41 -4.170 -8.669 -7.054 1.00 45.34 N ATOM 563 CA LEU A 41 -3.166 -8.210 -6.094 1.00 42.42 C ATOM 564 C LEU A 41 -1.810 -8.851 -6.377 1.00 61.24 C ATOM 565 O LEU A 41 -0.791 -8.190 -6.177 1.00 50.22 O ATOM 566 CB LEU A 41 -3.621 -8.387 -4.639 1.00 12.31 C ATOM 567 CG LEU A 41 -4.501 -7.243 -4.090 1.00 54.23 C ATOM 568 CD1 LEU A 41 -3.729 -5.921 -3.966 1.00 14.22 C ATOM 569 CD2 LEU A 41 -5.789 -7.016 -4.882 1.00 61.05 C ATOM 0 H LEU A 41 -4.978 -9.113 -6.618 1.00 45.34 H new ATOM 0 HA LEU A 41 -3.047 -7.135 -6.229 1.00 42.42 H new ATOM 0 HB2 LEU A 41 -4.174 -9.323 -4.558 1.00 12.31 H new ATOM 0 HB3 LEU A 41 -2.738 -8.483 -4.007 1.00 12.31 H new ATOM 0 HG LEU A 41 -4.790 -7.580 -3.094 1.00 54.23 H new ATOM 0 HD11 LEU A 41 -4.391 -5.148 -3.576 1.00 14.22 H new ATOM 0 HD12 LEU A 41 -2.887 -6.054 -3.287 1.00 14.22 H new ATOM 0 HD13 LEU A 41 -3.360 -5.622 -4.947 1.00 14.22 H new ATOM 0 HD21 LEU A 41 -6.352 -6.197 -4.434 1.00 61.05 H new ATOM 0 HD22 LEU A 41 -5.542 -6.766 -5.914 1.00 61.05 H new ATOM 0 HD23 LEU A 41 -6.392 -7.924 -4.863 1.00 61.05 H new ATOM 581 N SER A 42 -1.788 -10.085 -6.898 1.00 2.44 N ATOM 582 CA SER A 42 -0.607 -10.846 -7.286 1.00 62.43 C ATOM 583 C SER A 42 0.283 -9.953 -8.179 1.00 33.12 C ATOM 584 O SER A 42 1.514 -10.011 -8.083 1.00 73.13 O ATOM 585 CB SER A 42 -1.036 -12.159 -7.968 1.00 1.23 C ATOM 586 OG SER A 42 -0.138 -13.211 -7.650 1.00 11.45 O ATOM 0 H SER A 42 -2.649 -10.604 -7.067 1.00 2.44 H new ATOM 0 HA SER A 42 -0.016 -11.132 -6.416 1.00 62.43 H new ATOM 0 HB2 SER A 42 -2.044 -12.427 -7.650 1.00 1.23 H new ATOM 0 HB3 SER A 42 -1.070 -12.018 -9.048 1.00 1.23 H new ATOM 0 HG SER A 42 -0.430 -14.035 -8.092 1.00 11.45 H new ATOM 592 N THR A 43 -0.303 -9.175 -9.088 1.00 53.45 N ATOM 593 CA THR A 43 0.384 -8.250 -9.984 1.00 22.24 C ATOM 594 C THR A 43 0.599 -6.876 -9.361 1.00 64.10 C ATOM 595 O THR A 43 1.725 -6.388 -9.364 1.00 12.04 O ATOM 596 CB THR A 43 -0.370 -8.196 -11.308 1.00 64.51 C ATOM 597 OG1 THR A 43 -0.405 -9.521 -11.822 1.00 44.15 O ATOM 598 CG2 THR A 43 0.324 -7.316 -12.342 1.00 3.15 C ATOM 0 H THR A 43 -1.314 -9.173 -9.225 1.00 53.45 H new ATOM 0 HA THR A 43 1.391 -8.621 -10.173 1.00 22.24 H new ATOM 0 HB THR A 43 -1.360 -7.778 -11.125 1.00 64.51 H new ATOM 0 HG1 THR A 43 -0.885 -9.528 -12.676 1.00 44.15 H new ATOM 0 HG21 THR A 43 -0.255 -7.313 -13.265 1.00 3.15 H new ATOM 0 HG22 THR A 43 0.402 -6.298 -11.960 1.00 3.15 H new ATOM 0 HG23 THR A 43 1.322 -7.707 -12.541 1.00 3.15 H new ATOM 606 N ILE A 44 -0.441 -6.277 -8.770 1.00 4.50 N ATOM 607 CA ILE A 44 -0.376 -4.941 -8.165 1.00 4.40 C ATOM 608 C ILE A 44 0.819 -4.832 -7.212 1.00 42.51 C ATOM 609 O ILE A 44 1.510 -3.812 -7.195 1.00 2.24 O ATOM 610 CB ILE A 44 -1.718 -4.628 -7.467 1.00 21.33 C ATOM 611 CG1 ILE A 44 -2.873 -4.636 -8.497 1.00 42.20 C ATOM 612 CG2 ILE A 44 -1.684 -3.283 -6.709 1.00 61.04 C ATOM 613 CD1 ILE A 44 -4.252 -4.761 -7.850 1.00 14.44 C ATOM 0 H ILE A 44 -1.361 -6.710 -8.697 1.00 4.50 H new ATOM 0 HA ILE A 44 -0.219 -4.193 -8.943 1.00 4.40 H new ATOM 0 HB ILE A 44 -1.888 -5.411 -6.728 1.00 21.33 H new ATOM 0 HG12 ILE A 44 -2.835 -3.718 -9.084 1.00 42.20 H new ATOM 0 HG13 ILE A 44 -2.727 -5.464 -9.191 1.00 42.20 H new ATOM 0 HG21 ILE A 44 -2.650 -3.108 -6.235 1.00 61.04 H new ATOM 0 HG22 ILE A 44 -0.906 -3.315 -5.946 1.00 61.04 H new ATOM 0 HG23 ILE A 44 -1.472 -2.476 -7.410 1.00 61.04 H new ATOM 0 HD11 ILE A 44 -5.019 -4.761 -8.625 1.00 14.44 H new ATOM 0 HD12 ILE A 44 -4.306 -5.692 -7.286 1.00 14.44 H new ATOM 0 HD13 ILE A 44 -4.416 -3.919 -7.177 1.00 14.44 H new ATOM 625 N ALA A 45 1.077 -5.876 -6.431 1.00 73.34 N ATOM 626 CA ALA A 45 2.185 -5.921 -5.497 1.00 33.31 C ATOM 627 C ALA A 45 3.521 -5.730 -6.222 1.00 2.42 C ATOM 628 O ALA A 45 4.379 -4.982 -5.745 1.00 75.24 O ATOM 629 CB ALA A 45 2.140 -7.276 -4.813 1.00 10.30 C ATOM 0 H ALA A 45 0.511 -6.725 -6.433 1.00 73.34 H new ATOM 0 HA ALA A 45 2.099 -5.116 -4.768 1.00 33.31 H new ATOM 0 HB1 ALA A 45 2.960 -7.351 -4.099 1.00 10.30 H new ATOM 0 HB2 ALA A 45 1.191 -7.387 -4.288 1.00 10.30 H new ATOM 0 HB3 ALA A 45 2.236 -8.064 -5.560 1.00 10.30 H new ATOM 635 N GLN A 46 3.723 -6.418 -7.350 1.00 52.32 N ATOM 636 CA GLN A 46 4.939 -6.301 -8.123 1.00 42.41 C ATOM 637 C GLN A 46 5.086 -4.883 -8.654 1.00 44.52 C ATOM 638 O GLN A 46 6.206 -4.375 -8.597 1.00 14.51 O ATOM 639 CB GLN A 46 4.987 -7.353 -9.241 1.00 11.03 C ATOM 640 CG GLN A 46 5.566 -8.675 -8.726 1.00 31.01 C ATOM 641 CD GLN A 46 6.998 -8.500 -8.208 1.00 75.52 C ATOM 642 OE1 GLN A 46 7.915 -8.136 -8.941 1.00 2.22 O ATOM 643 NE2 GLN A 46 7.210 -8.673 -6.917 1.00 1.45 N ATOM 0 H GLN A 46 3.042 -7.068 -7.743 1.00 52.32 H new ATOM 0 HA GLN A 46 5.792 -6.500 -7.474 1.00 42.41 H new ATOM 0 HB2 GLN A 46 3.983 -7.519 -9.632 1.00 11.03 H new ATOM 0 HB3 GLN A 46 5.594 -6.983 -10.067 1.00 11.03 H new ATOM 0 HG2 GLN A 46 4.934 -9.063 -7.927 1.00 31.01 H new ATOM 0 HG3 GLN A 46 5.556 -9.414 -9.527 1.00 31.01 H new ATOM 0 HE21 GLN A 46 6.447 -8.975 -6.311 1.00 1.45 H new ATOM 0 HE22 GLN A 46 8.137 -8.505 -6.525 1.00 1.45 H new ATOM 652 N SER A 47 4.002 -4.207 -9.059 1.00 5.42 N ATOM 653 CA SER A 47 4.071 -2.833 -9.551 1.00 61.24 C ATOM 654 C SER A 47 4.810 -1.958 -8.531 1.00 22.12 C ATOM 655 O SER A 47 5.661 -1.140 -8.890 1.00 14.45 O ATOM 656 CB SER A 47 2.658 -2.272 -9.776 1.00 41.34 C ATOM 657 OG SER A 47 1.847 -3.135 -10.549 1.00 73.41 O ATOM 0 H SER A 47 3.060 -4.598 -9.053 1.00 5.42 H new ATOM 0 HA SER A 47 4.608 -2.828 -10.499 1.00 61.24 H new ATOM 0 HB2 SER A 47 2.182 -2.099 -8.811 1.00 41.34 H new ATOM 0 HB3 SER A 47 2.730 -1.305 -10.273 1.00 41.34 H new ATOM 0 HG SER A 47 0.959 -2.735 -10.663 1.00 73.41 H new ATOM 663 N LEU A 48 4.509 -2.150 -7.239 1.00 71.51 N ATOM 664 CA LEU A 48 5.131 -1.401 -6.160 1.00 2.11 C ATOM 665 C LEU A 48 6.637 -1.673 -6.104 1.00 30.45 C ATOM 666 O LEU A 48 7.388 -0.722 -5.878 1.00 34.53 O ATOM 667 CB LEU A 48 4.486 -1.717 -4.796 1.00 73.54 C ATOM 668 CG LEU A 48 3.225 -0.908 -4.447 1.00 2.43 C ATOM 669 CD1 LEU A 48 2.036 -1.243 -5.348 1.00 64.34 C ATOM 670 CD2 LEU A 48 2.856 -1.188 -2.985 1.00 60.33 C ATOM 0 H LEU A 48 3.823 -2.835 -6.921 1.00 71.51 H new ATOM 0 HA LEU A 48 4.970 -0.344 -6.371 1.00 2.11 H new ATOM 0 HB2 LEU A 48 4.233 -2.777 -4.772 1.00 73.54 H new ATOM 0 HB3 LEU A 48 5.229 -1.549 -4.017 1.00 73.54 H new ATOM 0 HG LEU A 48 3.451 0.147 -4.603 1.00 2.43 H new ATOM 0 HD11 LEU A 48 1.176 -0.641 -5.054 1.00 64.34 H new ATOM 0 HD12 LEU A 48 2.293 -1.027 -6.385 1.00 64.34 H new ATOM 0 HD13 LEU A 48 1.790 -2.300 -5.248 1.00 64.34 H new ATOM 0 HD21 LEU A 48 1.963 -0.622 -2.720 1.00 60.33 H new ATOM 0 HD22 LEU A 48 2.662 -2.253 -2.856 1.00 60.33 H new ATOM 0 HD23 LEU A 48 3.680 -0.889 -2.338 1.00 60.33 H new ATOM 682 N VAL A 49 7.080 -2.930 -6.225 1.00 74.40 N ATOM 683 CA VAL A 49 8.499 -3.296 -6.191 1.00 14.20 C ATOM 684 C VAL A 49 9.202 -2.737 -7.423 1.00 14.53 C ATOM 685 O VAL A 49 10.208 -2.053 -7.269 1.00 2.11 O ATOM 686 CB VAL A 49 8.700 -4.828 -6.117 1.00 13.03 C ATOM 687 CG1 VAL A 49 10.184 -5.223 -6.083 1.00 25.22 C ATOM 688 CG2 VAL A 49 8.054 -5.412 -4.864 1.00 21.00 C ATOM 0 H VAL A 49 6.457 -3.728 -6.350 1.00 74.40 H new ATOM 0 HA VAL A 49 8.933 -2.865 -5.289 1.00 14.20 H new ATOM 0 HB VAL A 49 8.232 -5.225 -7.018 1.00 13.03 H new ATOM 0 HG11 VAL A 49 10.271 -6.308 -6.031 1.00 25.22 H new ATOM 0 HG12 VAL A 49 10.677 -4.862 -6.986 1.00 25.22 H new ATOM 0 HG13 VAL A 49 10.659 -4.779 -5.208 1.00 25.22 H new ATOM 0 HG21 VAL A 49 8.213 -6.490 -4.841 1.00 21.00 H new ATOM 0 HG22 VAL A 49 8.503 -4.961 -3.979 1.00 21.00 H new ATOM 0 HG23 VAL A 49 6.984 -5.203 -4.875 1.00 21.00 H new ATOM 698 N GLN A 50 8.679 -3.007 -8.619 1.00 65.14 N ATOM 699 CA GLN A 50 9.225 -2.572 -9.897 1.00 64.43 C ATOM 700 C GLN A 50 9.510 -1.074 -9.899 1.00 65.23 C ATOM 701 O GLN A 50 10.581 -0.651 -10.344 1.00 0.21 O ATOM 702 CB GLN A 50 8.249 -2.949 -11.012 1.00 40.22 C ATOM 703 CG GLN A 50 8.153 -4.461 -11.248 1.00 73.44 C ATOM 704 CD GLN A 50 7.073 -4.721 -12.286 1.00 33.04 C ATOM 705 OE1 GLN A 50 5.920 -4.979 -11.957 1.00 54.45 O ATOM 706 NE2 GLN A 50 7.399 -4.572 -13.555 1.00 75.33 N ATOM 0 H GLN A 50 7.827 -3.558 -8.724 1.00 65.14 H new ATOM 0 HA GLN A 50 10.177 -3.075 -10.066 1.00 64.43 H new ATOM 0 HB2 GLN A 50 7.260 -2.563 -10.765 1.00 40.22 H new ATOM 0 HB3 GLN A 50 8.559 -2.463 -11.937 1.00 40.22 H new ATOM 0 HG2 GLN A 50 9.111 -4.852 -11.592 1.00 73.44 H new ATOM 0 HG3 GLN A 50 7.915 -4.975 -10.317 1.00 73.44 H new ATOM 0 HE21 GLN A 50 8.362 -4.358 -13.812 1.00 75.33 H new ATOM 0 HE22 GLN A 50 6.688 -4.671 -14.279 1.00 75.33 H new ATOM 715 N SER A 51 8.589 -0.261 -9.383 1.00 34.22 N ATOM 716 CA SER A 51 8.808 1.173 -9.341 1.00 14.43 C ATOM 717 C SER A 51 9.889 1.524 -8.300 1.00 61.42 C ATOM 718 O SER A 51 10.691 2.425 -8.543 1.00 5.25 O ATOM 719 CB SER A 51 7.475 1.879 -9.116 1.00 34.24 C ATOM 720 OG SER A 51 6.550 1.501 -10.125 1.00 1.41 O ATOM 0 H SER A 51 7.698 -0.571 -8.995 1.00 34.22 H new ATOM 0 HA SER A 51 9.197 1.530 -10.295 1.00 14.43 H new ATOM 0 HB2 SER A 51 7.079 1.622 -8.133 1.00 34.24 H new ATOM 0 HB3 SER A 51 7.619 2.959 -9.129 1.00 34.24 H new ATOM 0 HG SER A 51 6.135 0.646 -9.885 1.00 1.41 H new ATOM 726 N ILE A 52 9.954 0.841 -7.147 1.00 11.44 N ATOM 727 CA ILE A 52 10.985 1.111 -6.136 1.00 33.20 C ATOM 728 C ILE A 52 12.351 0.742 -6.731 1.00 42.35 C ATOM 729 O ILE A 52 13.323 1.453 -6.483 1.00 4.34 O ATOM 730 CB ILE A 52 10.701 0.373 -4.806 1.00 71.43 C ATOM 731 CG1 ILE A 52 9.463 0.975 -4.113 1.00 42.02 C ATOM 732 CG2 ILE A 52 11.890 0.463 -3.830 1.00 45.50 C ATOM 733 CD1 ILE A 52 8.892 0.027 -3.058 1.00 33.33 C ATOM 0 H ILE A 52 9.304 0.097 -6.892 1.00 11.44 H new ATOM 0 HA ILE A 52 10.980 2.171 -5.882 1.00 33.20 H new ATOM 0 HB ILE A 52 10.529 -0.673 -5.059 1.00 71.43 H new ATOM 0 HG12 ILE A 52 9.732 1.922 -3.645 1.00 42.02 H new ATOM 0 HG13 ILE A 52 8.698 1.194 -4.858 1.00 42.02 H new ATOM 0 HG21 ILE A 52 11.647 -0.069 -2.910 1.00 45.50 H new ATOM 0 HG22 ILE A 52 12.771 0.013 -4.287 1.00 45.50 H new ATOM 0 HG23 ILE A 52 12.095 1.509 -3.601 1.00 45.50 H new ATOM 0 HD11 ILE A 52 8.020 0.485 -2.591 1.00 33.33 H new ATOM 0 HD12 ILE A 52 8.599 -0.910 -3.531 1.00 33.33 H new ATOM 0 HD13 ILE A 52 9.649 -0.171 -2.299 1.00 33.33 H new ATOM 745 N GLN A 53 12.443 -0.336 -7.517 1.00 33.23 N ATOM 746 CA GLN A 53 13.683 -0.765 -8.155 1.00 41.44 C ATOM 747 C GLN A 53 14.167 0.364 -9.074 1.00 63.23 C ATOM 748 O GLN A 53 15.363 0.673 -9.090 1.00 1.33 O ATOM 749 CB GLN A 53 13.465 -2.089 -8.902 1.00 20.53 C ATOM 750 CG GLN A 53 13.291 -3.265 -7.923 1.00 43.14 C ATOM 751 CD GLN A 53 12.886 -4.578 -8.594 1.00 4.42 C ATOM 752 OE1 GLN A 53 12.104 -4.598 -9.541 1.00 24.54 O ATOM 753 NE2 GLN A 53 13.382 -5.701 -8.104 1.00 2.41 N ATOM 0 H GLN A 53 11.648 -0.939 -7.728 1.00 33.23 H new ATOM 0 HA GLN A 53 14.458 -0.957 -7.413 1.00 41.44 H new ATOM 0 HB2 GLN A 53 12.583 -2.009 -9.537 1.00 20.53 H new ATOM 0 HB3 GLN A 53 14.314 -2.282 -9.558 1.00 20.53 H new ATOM 0 HG2 GLN A 53 14.226 -3.417 -7.384 1.00 43.14 H new ATOM 0 HG3 GLN A 53 12.536 -2.999 -7.183 1.00 43.14 H new ATOM 0 HE21 GLN A 53 14.031 -5.672 -7.317 1.00 2.41 H new ATOM 0 HE22 GLN A 53 13.116 -6.597 -8.513 1.00 2.41 H new ATOM 762 N SER A 54 13.246 1.033 -9.777 1.00 32.31 N ATOM 763 CA SER A 54 13.571 2.145 -10.656 1.00 24.50 C ATOM 764 C SER A 54 14.111 3.296 -9.803 1.00 63.11 C ATOM 765 O SER A 54 15.125 3.898 -10.168 1.00 61.31 O ATOM 766 CB SER A 54 12.341 2.535 -11.477 1.00 42.52 C ATOM 767 OG SER A 54 11.926 1.409 -12.227 1.00 43.10 O ATOM 0 H SER A 54 12.251 0.811 -9.747 1.00 32.31 H new ATOM 0 HA SER A 54 14.345 1.868 -11.372 1.00 24.50 H new ATOM 0 HB2 SER A 54 11.538 2.870 -10.820 1.00 42.52 H new ATOM 0 HB3 SER A 54 12.577 3.366 -12.141 1.00 42.52 H new ATOM 0 HG SER A 54 11.474 0.771 -11.636 1.00 43.10 H new ATOM 773 N LEU A 55 13.484 3.592 -8.657 1.00 54.41 N ATOM 774 CA LEU A 55 13.944 4.649 -7.767 1.00 34.24 C ATOM 775 C LEU A 55 15.360 4.346 -7.293 1.00 43.55 C ATOM 776 O LEU A 55 16.211 5.237 -7.315 1.00 24.34 O ATOM 777 CB LEU A 55 13.025 4.780 -6.538 1.00 70.15 C ATOM 778 CG LEU A 55 11.993 5.901 -6.631 1.00 74.45 C ATOM 779 CD1 LEU A 55 12.698 7.246 -6.810 1.00 15.35 C ATOM 780 CD2 LEU A 55 10.962 5.684 -7.737 1.00 22.23 C ATOM 0 H LEU A 55 12.650 3.105 -8.328 1.00 54.41 H new ATOM 0 HA LEU A 55 13.925 5.586 -8.323 1.00 34.24 H new ATOM 0 HB2 LEU A 55 12.503 3.835 -6.389 1.00 70.15 H new ATOM 0 HB3 LEU A 55 13.643 4.945 -5.655 1.00 70.15 H new ATOM 0 HG LEU A 55 11.437 5.897 -5.693 1.00 74.45 H new ATOM 0 HD11 LEU A 55 11.955 8.041 -6.876 1.00 15.35 H new ATOM 0 HD12 LEU A 55 13.352 7.430 -5.958 1.00 15.35 H new ATOM 0 HD13 LEU A 55 13.291 7.227 -7.725 1.00 15.35 H new ATOM 0 HD21 LEU A 55 10.259 6.517 -7.748 1.00 22.23 H new ATOM 0 HD22 LEU A 55 11.469 5.624 -8.700 1.00 22.23 H new ATOM 0 HD23 LEU A 55 10.421 4.755 -7.553 1.00 22.23 H new ATOM 792 N ALA A 56 15.611 3.097 -6.893 1.00 63.32 N ATOM 793 CA ALA A 56 16.907 2.647 -6.422 1.00 55.11 C ATOM 794 C ALA A 56 17.968 2.907 -7.488 1.00 13.10 C ATOM 795 O ALA A 56 19.045 3.385 -7.136 1.00 44.42 O ATOM 796 CB ALA A 56 16.851 1.175 -6.009 1.00 44.44 C ATOM 0 H ALA A 56 14.902 2.364 -6.890 1.00 63.32 H new ATOM 0 HA ALA A 56 17.184 3.215 -5.534 1.00 55.11 H new ATOM 0 HB1 ALA A 56 17.833 0.858 -5.659 1.00 44.44 H new ATOM 0 HB2 ALA A 56 16.122 1.049 -5.208 1.00 44.44 H new ATOM 0 HB3 ALA A 56 16.557 0.568 -6.865 1.00 44.44 H new ATOM 802 N ALA A 57 17.664 2.670 -8.771 1.00 3.41 N ATOM 803 CA ALA A 57 18.619 2.912 -9.846 1.00 44.52 C ATOM 804 C ALA A 57 19.009 4.393 -9.934 1.00 51.40 C ATOM 805 O ALA A 57 20.091 4.698 -10.434 1.00 42.24 O ATOM 806 CB ALA A 57 18.072 2.435 -11.190 1.00 60.45 C ATOM 0 H ALA A 57 16.762 2.311 -9.084 1.00 3.41 H new ATOM 0 HA ALA A 57 19.514 2.337 -9.610 1.00 44.52 H new ATOM 0 HB1 ALA A 57 18.807 2.629 -11.971 1.00 60.45 H new ATOM 0 HB2 ALA A 57 17.868 1.365 -11.141 1.00 60.45 H new ATOM 0 HB3 ALA A 57 17.150 2.970 -11.418 1.00 60.45 H new ATOM 812 N GLN A 58 18.140 5.320 -9.516 1.00 34.12 N ATOM 813 CA GLN A 58 18.435 6.751 -9.527 1.00 41.11 C ATOM 814 C GLN A 58 19.166 7.131 -8.231 1.00 34.12 C ATOM 815 O GLN A 58 19.834 8.164 -8.185 1.00 54.03 O ATOM 816 CB GLN A 58 17.150 7.579 -9.695 1.00 43.44 C ATOM 817 CG GLN A 58 16.551 7.418 -11.097 1.00 53.03 C ATOM 818 CD GLN A 58 15.343 8.327 -11.306 1.00 13.03 C ATOM 819 OE1 GLN A 58 14.267 8.102 -10.751 1.00 11.14 O ATOM 820 NE2 GLN A 58 15.467 9.398 -12.069 1.00 51.21 N ATOM 0 H GLN A 58 17.211 5.095 -9.160 1.00 34.12 H new ATOM 0 HA GLN A 58 19.079 6.973 -10.378 1.00 41.11 H new ATOM 0 HB2 GLN A 58 16.418 7.270 -8.949 1.00 43.44 H new ATOM 0 HB3 GLN A 58 17.368 8.631 -9.511 1.00 43.44 H new ATOM 0 HG2 GLN A 58 17.311 7.646 -11.845 1.00 53.03 H new ATOM 0 HG3 GLN A 58 16.255 6.380 -11.249 1.00 53.03 H new ATOM 0 HE21 GLN A 58 16.354 9.594 -12.533 1.00 51.21 H new ATOM 0 HE22 GLN A 58 14.676 10.030 -12.194 1.00 51.21 H new ATOM 829 N GLY A 59 19.001 6.353 -7.156 1.00 2.42 N ATOM 830 CA GLY A 59 19.659 6.606 -5.884 1.00 25.03 C ATOM 831 C GLY A 59 19.075 7.826 -5.184 1.00 1.44 C ATOM 832 O GLY A 59 19.795 8.499 -4.441 1.00 42.13 O ATOM 0 H GLY A 59 18.402 5.527 -7.151 1.00 2.42 H new ATOM 0 HA2 GLY A 59 19.556 5.732 -5.240 1.00 25.03 H new ATOM 0 HA3 GLY A 59 20.726 6.756 -6.049 1.00 25.03 H new ATOM 836 N ARG A 60 17.819 8.192 -5.468 1.00 61.54 N ATOM 837 CA ARG A 60 17.189 9.361 -4.869 1.00 75.44 C ATOM 838 C ARG A 60 15.675 9.206 -4.874 1.00 24.30 C ATOM 839 O ARG A 60 15.031 9.364 -5.915 1.00 55.04 O ATOM 840 CB ARG A 60 17.641 10.603 -5.647 1.00 71.41 C ATOM 841 CG ARG A 60 17.172 11.898 -4.983 1.00 32.01 C ATOM 842 CD ARG A 60 17.789 13.124 -5.646 1.00 31.11 C ATOM 843 NE ARG A 60 17.370 13.297 -7.044 1.00 10.43 N ATOM 844 CZ ARG A 60 17.455 14.443 -7.723 1.00 74.54 C ATOM 845 NH1 ARG A 60 18.037 15.510 -7.183 1.00 15.34 N ATOM 846 NH2 ARG A 60 16.960 14.516 -8.953 1.00 44.42 N ATOM 0 H ARG A 60 17.218 7.684 -6.117 1.00 61.54 H new ATOM 0 HA ARG A 60 17.491 9.468 -3.827 1.00 75.44 H new ATOM 0 HB2 ARG A 60 18.728 10.608 -5.722 1.00 71.41 H new ATOM 0 HB3 ARG A 60 17.251 10.555 -6.664 1.00 71.41 H new ATOM 0 HG2 ARG A 60 16.085 11.963 -5.037 1.00 32.01 H new ATOM 0 HG3 ARG A 60 17.438 11.883 -3.926 1.00 32.01 H new ATOM 0 HD2 ARG A 60 17.515 14.013 -5.078 1.00 31.11 H new ATOM 0 HD3 ARG A 60 18.875 13.043 -5.606 1.00 31.11 H new ATOM 0 HE ARG A 60 16.988 12.485 -7.529 1.00 10.43 H new ATOM 0 HH11 ARG A 60 18.424 15.458 -6.241 1.00 15.34 H new ATOM 0 HH12 ARG A 60 18.096 16.381 -7.711 1.00 15.34 H new ATOM 0 HH21 ARG A 60 16.518 13.699 -9.374 1.00 44.42 H new ATOM 0 HH22 ARG A 60 17.022 15.389 -9.477 1.00 44.42 H new ATOM 860 N THR A 61 15.109 8.829 -3.734 1.00 22.22 N ATOM 861 CA THR A 61 13.679 8.647 -3.563 1.00 2.45 C ATOM 862 C THR A 61 13.024 10.014 -3.312 1.00 52.53 C ATOM 863 O THR A 61 12.581 10.300 -2.196 1.00 62.04 O ATOM 864 CB THR A 61 13.409 7.570 -2.492 1.00 32.12 C ATOM 865 OG1 THR A 61 14.216 7.737 -1.335 1.00 21.41 O ATOM 866 CG2 THR A 61 13.655 6.164 -3.040 1.00 5.55 C ATOM 0 H THR A 61 15.645 8.638 -2.887 1.00 22.22 H new ATOM 0 HA THR A 61 13.210 8.260 -4.467 1.00 2.45 H new ATOM 0 HB THR A 61 12.361 7.690 -2.216 1.00 32.12 H new ATOM 0 HG1 THR A 61 13.650 7.711 -0.535 1.00 21.41 H new ATOM 0 HG21 THR A 61 13.456 5.429 -2.260 1.00 5.55 H new ATOM 0 HG22 THR A 61 12.993 5.983 -3.887 1.00 5.55 H new ATOM 0 HG23 THR A 61 14.692 6.076 -3.364 1.00 5.55 H new ATOM 874 N SER A 62 12.934 10.846 -4.362 1.00 55.23 N ATOM 875 CA SER A 62 12.332 12.177 -4.291 1.00 15.42 C ATOM 876 C SER A 62 10.921 12.078 -3.683 1.00 70.52 C ATOM 877 O SER A 62 10.248 11.066 -3.900 1.00 51.54 O ATOM 878 CB SER A 62 12.355 12.859 -5.665 1.00 3.44 C ATOM 879 OG SER A 62 13.572 12.612 -6.349 1.00 70.40 O ATOM 0 H SER A 62 13.282 10.607 -5.290 1.00 55.23 H new ATOM 0 HA SER A 62 12.921 12.814 -3.631 1.00 15.42 H new ATOM 0 HB2 SER A 62 11.520 12.498 -6.265 1.00 3.44 H new ATOM 0 HB3 SER A 62 12.218 13.933 -5.541 1.00 3.44 H new ATOM 0 HG SER A 62 13.517 12.977 -7.257 1.00 70.40 H new ATOM 885 N PRO A 63 10.430 13.101 -2.967 1.00 0.24 N ATOM 886 CA PRO A 63 9.138 13.079 -2.305 1.00 12.11 C ATOM 887 C PRO A 63 7.973 12.845 -3.241 1.00 52.51 C ATOM 888 O PRO A 63 7.284 11.841 -3.081 1.00 71.32 O ATOM 889 CB PRO A 63 9.021 14.400 -1.541 1.00 52.44 C ATOM 890 CG PRO A 63 9.918 15.313 -2.356 1.00 53.32 C ATOM 891 CD PRO A 63 11.075 14.356 -2.655 1.00 33.13 C ATOM 0 HA PRO A 63 9.087 12.227 -1.627 1.00 12.11 H new ATOM 0 HB2 PRO A 63 7.993 14.762 -1.506 1.00 52.44 H new ATOM 0 HB3 PRO A 63 9.362 14.307 -0.510 1.00 52.44 H new ATOM 0 HG2 PRO A 63 9.431 15.674 -3.262 1.00 53.32 H new ATOM 0 HG3 PRO A 63 10.238 16.191 -1.795 1.00 53.32 H new ATOM 0 HD2 PRO A 63 11.679 14.711 -3.490 1.00 33.13 H new ATOM 0 HD3 PRO A 63 11.742 14.258 -1.798 1.00 33.13 H new ATOM 899 N ASN A 64 7.768 13.723 -4.225 1.00 72.13 N ATOM 900 CA ASN A 64 6.658 13.603 -5.160 1.00 72.05 C ATOM 901 C ASN A 64 6.765 12.299 -5.956 1.00 24.30 C ATOM 902 O ASN A 64 5.789 11.577 -6.158 1.00 42.14 O ATOM 903 CB ASN A 64 6.586 14.815 -6.102 1.00 3.40 C ATOM 904 CG ASN A 64 6.290 16.117 -5.362 1.00 41.13 C ATOM 905 OD1 ASN A 64 7.073 16.543 -4.522 1.00 21.01 O ATOM 906 ND2 ASN A 64 5.202 16.799 -5.675 1.00 34.30 N ATOM 0 H ASN A 64 8.366 14.532 -4.392 1.00 72.13 H new ATOM 0 HA ASN A 64 5.734 13.580 -4.582 1.00 72.05 H new ATOM 0 HB2 ASN A 64 7.531 14.912 -6.636 1.00 3.40 H new ATOM 0 HB3 ASN A 64 5.813 14.643 -6.851 1.00 3.40 H new ATOM 0 HD21 ASN A 64 5.008 17.689 -5.216 1.00 34.30 H new ATOM 0 HD22 ASN A 64 4.556 16.436 -6.376 1.00 34.30 H new ATOM 913 N LYS A 65 7.986 11.976 -6.392 1.00 50.43 N ATOM 914 CA LYS A 65 8.305 10.776 -7.159 1.00 12.32 C ATOM 915 C LYS A 65 7.878 9.512 -6.411 1.00 3.31 C ATOM 916 O LYS A 65 7.260 8.624 -6.998 1.00 25.44 O ATOM 917 CB LYS A 65 9.803 10.797 -7.486 1.00 35.32 C ATOM 918 CG LYS A 65 10.230 9.542 -8.247 1.00 22.13 C ATOM 919 CD LYS A 65 11.509 9.742 -9.074 1.00 44.14 C ATOM 920 CE LYS A 65 12.700 10.283 -8.267 1.00 35.34 C ATOM 921 NZ LYS A 65 13.914 10.366 -9.095 1.00 72.15 N ATOM 0 H LYS A 65 8.802 12.562 -6.214 1.00 50.43 H new ATOM 0 HA LYS A 65 7.746 10.765 -8.094 1.00 12.32 H new ATOM 0 HB2 LYS A 65 10.034 11.680 -8.081 1.00 35.32 H new ATOM 0 HB3 LYS A 65 10.377 10.876 -6.563 1.00 35.32 H new ATOM 0 HG2 LYS A 65 10.387 8.730 -7.537 1.00 22.13 H new ATOM 0 HG3 LYS A 65 9.421 9.234 -8.909 1.00 22.13 H new ATOM 0 HD2 LYS A 65 11.791 8.790 -9.523 1.00 44.14 H new ATOM 0 HD3 LYS A 65 11.296 10.430 -9.892 1.00 44.14 H new ATOM 0 HE2 LYS A 65 12.457 11.270 -7.874 1.00 35.34 H new ATOM 0 HE3 LYS A 65 12.885 9.636 -7.410 1.00 35.34 H new ATOM 0 HZ1 LYS A 65 14.751 10.418 -8.480 1.00 72.15 H new ATOM 0 HZ2 LYS A 65 13.980 9.522 -9.700 1.00 72.15 H new ATOM 0 HZ3 LYS A 65 13.870 11.217 -9.691 1.00 72.15 H new ATOM 935 N LEU A 66 8.223 9.431 -5.129 1.00 3.11 N ATOM 936 CA LEU A 66 7.918 8.314 -4.251 1.00 54.24 C ATOM 937 C LEU A 66 6.442 8.307 -3.855 1.00 12.21 C ATOM 938 O LEU A 66 5.820 7.248 -3.861 1.00 50.32 O ATOM 939 CB LEU A 66 8.846 8.433 -3.038 1.00 62.42 C ATOM 940 CG LEU A 66 8.581 7.418 -1.911 1.00 63.24 C ATOM 941 CD1 LEU A 66 8.862 5.974 -2.315 1.00 43.31 C ATOM 942 CD2 LEU A 66 9.452 7.756 -0.701 1.00 63.02 C ATOM 0 H LEU A 66 8.743 10.172 -4.659 1.00 3.11 H new ATOM 0 HA LEU A 66 8.088 7.363 -4.756 1.00 54.24 H new ATOM 0 HB2 LEU A 66 9.876 8.317 -3.375 1.00 62.42 H new ATOM 0 HB3 LEU A 66 8.756 9.439 -2.628 1.00 62.42 H new ATOM 0 HG LEU A 66 7.519 7.494 -1.676 1.00 63.24 H new ATOM 0 HD11 LEU A 66 8.654 5.314 -1.473 1.00 43.31 H new ATOM 0 HD12 LEU A 66 8.225 5.701 -3.156 1.00 43.31 H new ATOM 0 HD13 LEU A 66 9.908 5.874 -2.605 1.00 43.31 H new ATOM 0 HD21 LEU A 66 9.263 7.037 0.096 1.00 63.02 H new ATOM 0 HD22 LEU A 66 10.503 7.714 -0.986 1.00 63.02 H new ATOM 0 HD23 LEU A 66 9.212 8.759 -0.349 1.00 63.02 H new ATOM 954 N GLN A 67 5.850 9.469 -3.565 1.00 5.13 N ATOM 955 CA GLN A 67 4.446 9.557 -3.167 1.00 52.30 C ATOM 956 C GLN A 67 3.527 8.996 -4.248 1.00 71.52 C ATOM 957 O GLN A 67 2.510 8.372 -3.937 1.00 1.43 O ATOM 958 CB GLN A 67 4.053 11.004 -2.822 1.00 14.51 C ATOM 959 CG GLN A 67 2.949 11.019 -1.758 1.00 5.32 C ATOM 960 CD GLN A 67 3.437 10.451 -0.425 1.00 5.34 C ATOM 961 OE1 GLN A 67 4.591 10.641 -0.044 1.00 63.44 O ATOM 962 NE2 GLN A 67 2.614 9.686 0.266 1.00 15.55 N ATOM 0 H GLN A 67 6.329 10.369 -3.600 1.00 5.13 H new ATOM 0 HA GLN A 67 4.324 8.949 -2.270 1.00 52.30 H new ATOM 0 HB2 GLN A 67 4.925 11.547 -2.458 1.00 14.51 H new ATOM 0 HB3 GLN A 67 3.709 11.518 -3.720 1.00 14.51 H new ATOM 0 HG2 GLN A 67 2.599 12.041 -1.611 1.00 5.32 H new ATOM 0 HG3 GLN A 67 2.097 10.438 -2.110 1.00 5.32 H new ATOM 0 HE21 GLN A 67 1.660 9.537 -0.062 1.00 15.55 H new ATOM 0 HE22 GLN A 67 2.932 9.243 1.128 1.00 15.55 H new ATOM 971 N ALA A 68 3.906 9.179 -5.518 1.00 41.31 N ATOM 972 CA ALA A 68 3.142 8.676 -6.646 1.00 52.43 C ATOM 973 C ALA A 68 2.992 7.149 -6.581 1.00 14.33 C ATOM 974 O ALA A 68 2.045 6.614 -7.156 1.00 73.21 O ATOM 975 CB ALA A 68 3.797 9.122 -7.948 1.00 11.51 C ATOM 0 H ALA A 68 4.753 9.681 -5.784 1.00 41.31 H new ATOM 0 HA ALA A 68 2.136 9.093 -6.605 1.00 52.43 H new ATOM 0 HB1 ALA A 68 3.222 8.743 -8.793 1.00 11.51 H new ATOM 0 HB2 ALA A 68 3.825 10.211 -7.987 1.00 11.51 H new ATOM 0 HB3 ALA A 68 4.813 8.731 -7.997 1.00 11.51 H new ATOM 981 N LEU A 69 3.904 6.442 -5.906 1.00 5.13 N ATOM 982 CA LEU A 69 3.853 4.995 -5.748 1.00 21.25 C ATOM 983 C LEU A 69 2.808 4.667 -4.684 1.00 43.00 C ATOM 984 O LEU A 69 1.994 3.767 -4.878 1.00 61.33 O ATOM 985 CB LEU A 69 5.205 4.407 -5.289 1.00 33.52 C ATOM 986 CG LEU A 69 6.460 4.817 -6.078 1.00 1.32 C ATOM 987 CD1 LEU A 69 7.644 3.934 -5.662 1.00 33.31 C ATOM 988 CD2 LEU A 69 6.248 4.687 -7.583 1.00 34.41 C ATOM 0 H LEU A 69 4.709 6.871 -5.449 1.00 5.13 H new ATOM 0 HA LEU A 69 3.606 4.560 -6.716 1.00 21.25 H new ATOM 0 HB2 LEU A 69 5.357 4.686 -4.246 1.00 33.52 H new ATOM 0 HB3 LEU A 69 5.128 3.320 -5.320 1.00 33.52 H new ATOM 0 HG LEU A 69 6.667 5.863 -5.850 1.00 1.32 H new ATOM 0 HD11 LEU A 69 8.531 4.227 -6.223 1.00 33.31 H new ATOM 0 HD12 LEU A 69 7.832 4.056 -4.595 1.00 33.31 H new ATOM 0 HD13 LEU A 69 7.411 2.890 -5.872 1.00 33.31 H new ATOM 0 HD21 LEU A 69 7.157 4.986 -8.106 1.00 34.41 H new ATOM 0 HD22 LEU A 69 6.012 3.652 -7.829 1.00 34.41 H new ATOM 0 HD23 LEU A 69 5.424 5.331 -7.891 1.00 34.41 H new ATOM 1000 N ASN A 70 2.832 5.411 -3.573 1.00 44.31 N ATOM 1001 CA ASN A 70 1.926 5.233 -2.446 1.00 62.13 C ATOM 1002 C ASN A 70 0.472 5.441 -2.870 1.00 11.42 C ATOM 1003 O ASN A 70 -0.409 4.678 -2.470 1.00 30.31 O ATOM 1004 CB ASN A 70 2.333 6.154 -1.276 1.00 75.23 C ATOM 1005 CG ASN A 70 1.984 5.567 0.086 1.00 31.35 C ATOM 1006 OD1 ASN A 70 1.614 4.400 0.207 1.00 12.30 O ATOM 1007 ND2 ASN A 70 2.118 6.357 1.139 1.00 55.13 N ATOM 0 H ASN A 70 3.499 6.170 -3.435 1.00 44.31 H new ATOM 0 HA ASN A 70 2.005 4.205 -2.094 1.00 62.13 H new ATOM 0 HB2 ASN A 70 3.406 6.340 -1.322 1.00 75.23 H new ATOM 0 HB3 ASN A 70 1.837 7.118 -1.389 1.00 75.23 H new ATOM 0 HD21 ASN A 70 1.913 6.001 2.073 1.00 55.13 H new ATOM 0 HD22 ASN A 70 2.426 7.322 1.017 1.00 55.13 H new ATOM 1014 N MET A 71 0.202 6.471 -3.681 1.00 73.44 N ATOM 1015 CA MET A 71 -1.153 6.742 -4.167 1.00 12.01 C ATOM 1016 C MET A 71 -1.555 5.668 -5.181 1.00 55.42 C ATOM 1017 O MET A 71 -2.686 5.205 -5.122 1.00 11.32 O ATOM 1018 CB MET A 71 -1.298 8.182 -4.697 1.00 44.15 C ATOM 1019 CG MET A 71 -0.533 8.466 -5.991 1.00 21.25 C ATOM 1020 SD MET A 71 -0.528 10.188 -6.580 1.00 2.14 S ATOM 1021 CE MET A 71 0.381 11.031 -5.252 1.00 71.03 C ATOM 0 H MET A 71 0.906 7.130 -4.014 1.00 73.44 H new ATOM 0 HA MET A 71 -1.854 6.683 -3.335 1.00 12.01 H new ATOM 0 HB2 MET A 71 -2.355 8.389 -4.863 1.00 44.15 H new ATOM 0 HB3 MET A 71 -0.954 8.874 -3.928 1.00 44.15 H new ATOM 0 HG2 MET A 71 0.501 8.152 -5.850 1.00 21.25 H new ATOM 0 HG3 MET A 71 -0.952 7.839 -6.778 1.00 21.25 H new ATOM 0 HE1 MET A 71 0.998 11.822 -5.679 1.00 71.03 H new ATOM 0 HE2 MET A 71 -0.326 11.464 -4.545 1.00 71.03 H new ATOM 0 HE3 MET A 71 1.018 10.313 -4.734 1.00 71.03 H new ATOM 1031 N ALA A 72 -0.639 5.213 -6.052 1.00 53.00 N ATOM 1032 CA ALA A 72 -0.928 4.180 -7.050 1.00 12.12 C ATOM 1033 C ALA A 72 -1.450 2.910 -6.378 1.00 14.54 C ATOM 1034 O ALA A 72 -2.422 2.318 -6.838 1.00 23.22 O ATOM 1035 CB ALA A 72 0.315 3.854 -7.885 1.00 61.35 C ATOM 0 H ALA A 72 0.322 5.554 -6.081 1.00 53.00 H new ATOM 0 HA ALA A 72 -1.698 4.571 -7.715 1.00 12.12 H new ATOM 0 HB1 ALA A 72 0.070 3.084 -8.617 1.00 61.35 H new ATOM 0 HB2 ALA A 72 0.652 4.752 -8.402 1.00 61.35 H new ATOM 0 HB3 ALA A 72 1.108 3.493 -7.231 1.00 61.35 H new ATOM 1041 N PHE A 73 -0.819 2.503 -5.274 1.00 42.21 N ATOM 1042 CA PHE A 73 -1.233 1.320 -4.538 1.00 22.41 C ATOM 1043 C PHE A 73 -2.673 1.480 -4.046 1.00 44.35 C ATOM 1044 O PHE A 73 -3.511 0.594 -4.223 1.00 52.33 O ATOM 1045 CB PHE A 73 -0.294 1.119 -3.341 1.00 42.03 C ATOM 1046 CG PHE A 73 -0.671 -0.048 -2.444 1.00 72.34 C ATOM 1047 CD1 PHE A 73 -0.711 0.132 -1.049 1.00 3.42 C ATOM 1048 CD2 PHE A 73 -1.025 -1.298 -2.993 1.00 72.21 C ATOM 1049 CE1 PHE A 73 -1.094 -0.924 -0.206 1.00 60.35 C ATOM 1050 CE2 PHE A 73 -1.437 -2.345 -2.153 1.00 24.25 C ATOM 1051 CZ PHE A 73 -1.462 -2.162 -0.759 1.00 52.32 C ATOM 0 H PHE A 73 -0.014 2.984 -4.873 1.00 42.21 H new ATOM 0 HA PHE A 73 -1.184 0.451 -5.195 1.00 22.41 H new ATOM 0 HB2 PHE A 73 0.720 0.966 -3.710 1.00 42.03 H new ATOM 0 HB3 PHE A 73 -0.282 2.032 -2.745 1.00 42.03 H new ATOM 0 HD1 PHE A 73 -0.445 1.089 -0.624 1.00 3.42 H new ATOM 0 HD2 PHE A 73 -0.979 -1.450 -4.061 1.00 72.21 H new ATOM 0 HE1 PHE A 73 -1.106 -0.785 0.865 1.00 60.35 H new ATOM 0 HE2 PHE A 73 -1.735 -3.292 -2.578 1.00 24.25 H new ATOM 0 HZ PHE A 73 -1.764 -2.973 -0.113 1.00 52.32 H new ATOM 1061 N ALA A 74 -2.949 2.624 -3.415 1.00 71.52 N ATOM 1062 CA ALA A 74 -4.259 2.927 -2.878 1.00 34.51 C ATOM 1063 C ALA A 74 -5.330 3.018 -3.974 1.00 14.03 C ATOM 1064 O ALA A 74 -6.475 2.651 -3.713 1.00 54.44 O ATOM 1065 CB ALA A 74 -4.178 4.194 -2.050 1.00 14.32 C ATOM 0 H ALA A 74 -2.261 3.363 -3.267 1.00 71.52 H new ATOM 0 HA ALA A 74 -4.571 2.106 -2.233 1.00 34.51 H new ATOM 0 HB1 ALA A 74 -5.162 4.426 -1.643 1.00 14.32 H new ATOM 0 HB2 ALA A 74 -3.472 4.050 -1.232 1.00 14.32 H new ATOM 0 HB3 ALA A 74 -3.841 5.018 -2.678 1.00 14.32 H new ATOM 1071 N SER A 75 -4.975 3.465 -5.182 1.00 64.41 N ATOM 1072 CA SER A 75 -5.884 3.570 -6.315 1.00 20.12 C ATOM 1073 C SER A 75 -6.420 2.166 -6.641 1.00 21.33 C ATOM 1074 O SER A 75 -7.638 1.975 -6.672 1.00 10.10 O ATOM 1075 CB SER A 75 -5.149 4.220 -7.497 1.00 23.25 C ATOM 1076 OG SER A 75 -4.921 5.602 -7.272 1.00 11.25 O ATOM 0 H SER A 75 -4.026 3.769 -5.399 1.00 64.41 H new ATOM 0 HA SER A 75 -6.738 4.207 -6.085 1.00 20.12 H new ATOM 0 HB2 SER A 75 -4.197 3.715 -7.657 1.00 23.25 H new ATOM 0 HB3 SER A 75 -5.735 4.090 -8.407 1.00 23.25 H new ATOM 0 HG SER A 75 -5.774 6.083 -7.300 1.00 11.25 H new ATOM 1082 N SER A 76 -5.540 1.171 -6.826 1.00 21.34 N ATOM 1083 CA SER A 76 -5.968 -0.198 -7.116 1.00 75.41 C ATOM 1084 C SER A 76 -6.815 -0.742 -5.949 1.00 71.12 C ATOM 1085 O SER A 76 -7.818 -1.426 -6.147 1.00 13.30 O ATOM 1086 CB SER A 76 -4.740 -1.081 -7.362 1.00 33.13 C ATOM 1087 OG SER A 76 -3.912 -0.546 -8.381 1.00 31.34 O ATOM 0 H SER A 76 -4.528 1.293 -6.779 1.00 21.34 H new ATOM 0 HA SER A 76 -6.584 -0.205 -8.015 1.00 75.41 H new ATOM 0 HB2 SER A 76 -4.168 -1.176 -6.439 1.00 33.13 H new ATOM 0 HB3 SER A 76 -5.062 -2.084 -7.642 1.00 33.13 H new ATOM 0 HG SER A 76 -3.137 -1.131 -8.513 1.00 31.34 H new ATOM 1093 N LEU A 77 -6.454 -0.407 -4.706 1.00 72.45 N ATOM 1094 CA LEU A 77 -7.189 -0.838 -3.523 1.00 25.24 C ATOM 1095 C LEU A 77 -8.624 -0.300 -3.554 1.00 31.53 C ATOM 1096 O LEU A 77 -9.550 -1.019 -3.175 1.00 73.12 O ATOM 1097 CB LEU A 77 -6.459 -0.350 -2.253 1.00 15.23 C ATOM 1098 CG LEU A 77 -5.658 -1.398 -1.466 1.00 61.20 C ATOM 1099 CD1 LEU A 77 -4.765 -2.299 -2.319 1.00 63.43 C ATOM 1100 CD2 LEU A 77 -4.778 -0.690 -0.429 1.00 2.43 C ATOM 0 H LEU A 77 -5.641 0.172 -4.497 1.00 72.45 H new ATOM 0 HA LEU A 77 -7.235 -1.927 -3.513 1.00 25.24 H new ATOM 0 HB2 LEU A 77 -5.779 0.452 -2.540 1.00 15.23 H new ATOM 0 HB3 LEU A 77 -7.200 0.085 -1.582 1.00 15.23 H new ATOM 0 HG LEU A 77 -6.403 -2.047 -1.005 1.00 61.20 H new ATOM 0 HD11 LEU A 77 -4.240 -3.005 -1.676 1.00 63.43 H new ATOM 0 HD12 LEU A 77 -5.378 -2.847 -3.035 1.00 63.43 H new ATOM 0 HD13 LEU A 77 -4.039 -1.688 -2.856 1.00 63.43 H new ATOM 0 HD21 LEU A 77 -4.208 -1.431 0.131 1.00 2.43 H new ATOM 0 HD22 LEU A 77 -4.092 -0.012 -0.936 1.00 2.43 H new ATOM 0 HD23 LEU A 77 -5.408 -0.123 0.256 1.00 2.43 H new ATOM 1112 N ALA A 78 -8.809 0.952 -3.978 1.00 43.52 N ATOM 1113 CA ALA A 78 -10.100 1.620 -4.063 1.00 42.44 C ATOM 1114 C ALA A 78 -10.977 1.031 -5.159 1.00 23.15 C ATOM 1115 O ALA A 78 -12.177 0.890 -4.942 1.00 1.04 O ATOM 1116 CB ALA A 78 -9.881 3.111 -4.308 1.00 11.42 C ATOM 0 H ALA A 78 -8.036 1.544 -4.281 1.00 43.52 H new ATOM 0 HA ALA A 78 -10.622 1.470 -3.118 1.00 42.44 H new ATOM 0 HB1 ALA A 78 -10.846 3.615 -4.372 1.00 11.42 H new ATOM 0 HB2 ALA A 78 -9.305 3.534 -3.485 1.00 11.42 H new ATOM 0 HB3 ALA A 78 -9.336 3.250 -5.242 1.00 11.42 H new ATOM 1122 N GLU A 79 -10.387 0.651 -6.294 1.00 4.22 N ATOM 1123 CA GLU A 79 -11.097 0.063 -7.426 1.00 62.44 C ATOM 1124 C GLU A 79 -11.860 -1.178 -6.948 1.00 51.53 C ATOM 1125 O GLU A 79 -13.084 -1.280 -7.078 1.00 61.30 O ATOM 1126 CB GLU A 79 -10.048 -0.271 -8.503 1.00 34.51 C ATOM 1127 CG GLU A 79 -10.591 -1.062 -9.694 1.00 5.22 C ATOM 1128 CD GLU A 79 -9.479 -1.359 -10.705 1.00 53.33 C ATOM 1129 OE1 GLU A 79 -9.123 -2.548 -10.902 1.00 3.54 O ATOM 1130 OE2 GLU A 79 -8.961 -0.404 -11.334 1.00 11.10 O ATOM 0 H GLU A 79 -9.384 0.746 -6.453 1.00 4.22 H new ATOM 0 HA GLU A 79 -11.832 0.747 -7.851 1.00 62.44 H new ATOM 0 HB2 GLU A 79 -9.613 0.659 -8.869 1.00 34.51 H new ATOM 0 HB3 GLU A 79 -9.241 -0.841 -8.042 1.00 34.51 H new ATOM 0 HG2 GLU A 79 -11.030 -1.997 -9.345 1.00 5.22 H new ATOM 0 HG3 GLU A 79 -11.387 -0.497 -10.179 1.00 5.22 H new ATOM 1137 N ILE A 80 -11.128 -2.088 -6.308 1.00 15.34 N ATOM 1138 CA ILE A 80 -11.667 -3.328 -5.775 1.00 2.13 C ATOM 1139 C ILE A 80 -12.591 -3.048 -4.578 1.00 75.12 C ATOM 1140 O ILE A 80 -13.486 -3.847 -4.288 1.00 34.02 O ATOM 1141 CB ILE A 80 -10.485 -4.252 -5.417 1.00 11.35 C ATOM 1142 CG1 ILE A 80 -9.526 -4.528 -6.604 1.00 12.33 C ATOM 1143 CG2 ILE A 80 -10.967 -5.589 -4.840 1.00 23.13 C ATOM 1144 CD1 ILE A 80 -10.170 -5.203 -7.820 1.00 61.22 C ATOM 0 H ILE A 80 -10.127 -1.978 -6.145 1.00 15.34 H new ATOM 0 HA ILE A 80 -12.286 -3.831 -6.518 1.00 2.13 H new ATOM 0 HB ILE A 80 -9.923 -3.704 -4.661 1.00 11.35 H new ATOM 0 HG12 ILE A 80 -9.087 -3.583 -6.923 1.00 12.33 H new ATOM 0 HG13 ILE A 80 -8.708 -5.156 -6.251 1.00 12.33 H new ATOM 0 HG21 ILE A 80 -10.106 -6.213 -4.600 1.00 23.13 H new ATOM 0 HG22 ILE A 80 -11.547 -5.407 -3.935 1.00 23.13 H new ATOM 0 HG23 ILE A 80 -11.591 -6.098 -5.574 1.00 23.13 H new ATOM 0 HD11 ILE A 80 -9.417 -5.352 -8.594 1.00 61.22 H new ATOM 0 HD12 ILE A 80 -10.583 -6.167 -7.524 1.00 61.22 H new ATOM 0 HD13 ILE A 80 -10.968 -4.570 -8.207 1.00 61.22 H new ATOM 1156 N ALA A 81 -12.397 -1.947 -3.844 1.00 64.33 N ATOM 1157 CA ALA A 81 -13.244 -1.610 -2.706 1.00 63.31 C ATOM 1158 C ALA A 81 -14.621 -1.127 -3.167 1.00 74.11 C ATOM 1159 O ALA A 81 -15.626 -1.467 -2.532 1.00 63.11 O ATOM 1160 CB ALA A 81 -12.564 -0.556 -1.829 1.00 63.20 C ATOM 0 H ALA A 81 -11.653 -1.272 -4.024 1.00 64.33 H new ATOM 0 HA ALA A 81 -13.390 -2.512 -2.112 1.00 63.31 H new ATOM 0 HB1 ALA A 81 -13.209 -0.315 -0.984 1.00 63.20 H new ATOM 0 HB2 ALA A 81 -11.615 -0.946 -1.462 1.00 63.20 H new ATOM 0 HB3 ALA A 81 -12.384 0.344 -2.416 1.00 63.20 H new ATOM 1166 N ALA A 82 -14.679 -0.390 -4.279 1.00 61.52 N ATOM 1167 CA ALA A 82 -15.911 0.143 -4.846 1.00 31.20 C ATOM 1168 C ALA A 82 -16.698 -0.945 -5.596 1.00 55.23 C ATOM 1169 O ALA A 82 -17.898 -0.779 -5.824 1.00 21.31 O ATOM 1170 CB ALA A 82 -15.547 1.302 -5.780 1.00 2.23 C ATOM 0 H ALA A 82 -13.849 -0.144 -4.819 1.00 61.52 H new ATOM 0 HA ALA A 82 -16.557 0.501 -4.045 1.00 31.20 H new ATOM 0 HB1 ALA A 82 -16.456 1.717 -6.216 1.00 2.23 H new ATOM 0 HB2 ALA A 82 -15.030 2.077 -5.214 1.00 2.23 H new ATOM 0 HB3 ALA A 82 -14.896 0.938 -6.575 1.00 2.23 H new ATOM 1176 N SER A 83 -16.033 -2.049 -5.950 1.00 12.45 N ATOM 1177 CA SER A 83 -16.595 -3.198 -6.647 1.00 3.32 C ATOM 1178 C SER A 83 -17.703 -3.816 -5.775 1.00 11.13 C ATOM 1179 O SER A 83 -17.606 -3.802 -4.543 1.00 62.21 O ATOM 1180 CB SER A 83 -15.429 -4.165 -6.894 1.00 1.15 C ATOM 1181 OG SER A 83 -15.683 -5.093 -7.915 1.00 23.42 O ATOM 0 H SER A 83 -15.040 -2.166 -5.746 1.00 12.45 H new ATOM 0 HA SER A 83 -17.054 -2.936 -7.600 1.00 3.32 H new ATOM 0 HB2 SER A 83 -14.538 -3.591 -7.148 1.00 1.15 H new ATOM 0 HB3 SER A 83 -15.210 -4.702 -5.971 1.00 1.15 H new ATOM 0 HG SER A 83 -14.905 -5.678 -8.026 1.00 23.42 H new ATOM 1187 N GLU A 84 -18.752 -4.380 -6.370 1.00 53.03 N ATOM 1188 CA GLU A 84 -19.880 -4.986 -5.657 1.00 1.50 C ATOM 1189 C GLU A 84 -19.719 -6.487 -5.438 1.00 65.51 C ATOM 1190 O GLU A 84 -20.576 -7.101 -4.802 1.00 65.33 O ATOM 1191 CB GLU A 84 -21.196 -4.752 -6.414 1.00 1.51 C ATOM 1192 CG GLU A 84 -21.468 -3.280 -6.717 1.00 42.33 C ATOM 1193 CD GLU A 84 -22.961 -3.026 -6.927 1.00 41.35 C ATOM 1194 OE1 GLU A 84 -23.524 -3.468 -7.962 1.00 41.33 O ATOM 1195 OE2 GLU A 84 -23.605 -2.451 -6.023 1.00 43.01 O ATOM 0 H GLU A 84 -18.846 -4.431 -7.384 1.00 53.03 H new ATOM 0 HA GLU A 84 -19.902 -4.498 -4.682 1.00 1.50 H new ATOM 0 HB2 GLU A 84 -21.172 -5.310 -7.350 1.00 1.51 H new ATOM 0 HB3 GLU A 84 -22.021 -5.153 -5.825 1.00 1.51 H new ATOM 0 HG2 GLU A 84 -21.103 -2.663 -5.895 1.00 42.33 H new ATOM 0 HG3 GLU A 84 -20.917 -2.981 -7.609 1.00 42.33 H new ATOM 1202 N GLU A 85 -18.641 -7.105 -5.915 1.00 35.10 N ATOM 1203 CA GLU A 85 -18.415 -8.546 -5.776 1.00 51.42 C ATOM 1204 C GLU A 85 -17.340 -8.911 -4.753 1.00 31.40 C ATOM 1205 O GLU A 85 -16.661 -9.935 -4.893 1.00 51.43 O ATOM 1206 CB GLU A 85 -18.203 -9.161 -7.155 1.00 51.13 C ATOM 1207 CG GLU A 85 -16.951 -8.703 -7.912 1.00 72.21 C ATOM 1208 CD GLU A 85 -16.867 -9.515 -9.197 1.00 51.35 C ATOM 1209 OE1 GLU A 85 -17.193 -8.984 -10.283 1.00 44.12 O ATOM 1210 OE2 GLU A 85 -16.616 -10.740 -9.096 1.00 14.01 O ATOM 0 H GLU A 85 -17.894 -6.620 -6.412 1.00 35.10 H new ATOM 0 HA GLU A 85 -19.312 -8.991 -5.346 1.00 51.42 H new ATOM 0 HB2 GLU A 85 -18.160 -10.245 -7.045 1.00 51.13 H new ATOM 0 HB3 GLU A 85 -19.076 -8.937 -7.768 1.00 51.13 H new ATOM 0 HG2 GLU A 85 -17.007 -7.638 -8.135 1.00 72.21 H new ATOM 0 HG3 GLU A 85 -16.059 -8.855 -7.304 1.00 72.21 H new ATOM 1217 N GLY A 86 -17.194 -8.077 -3.723 1.00 70.13 N ATOM 1218 CA GLY A 86 -16.225 -8.265 -2.664 1.00 24.13 C ATOM 1219 C GLY A 86 -16.803 -9.012 -1.469 1.00 4.10 C ATOM 1220 O GLY A 86 -16.848 -10.243 -1.480 1.00 61.25 O ATOM 0 H GLY A 86 -17.762 -7.237 -3.607 1.00 70.13 H new ATOM 0 HA2 GLY A 86 -15.369 -8.816 -3.053 1.00 24.13 H new ATOM 0 HA3 GLY A 86 -15.856 -7.293 -2.337 1.00 24.13 H new ATOM 1224 N GLY A 87 -17.226 -8.266 -0.448 1.00 20.31 N ATOM 1225 CA GLY A 87 -17.785 -8.799 0.782 1.00 33.43 C ATOM 1226 C GLY A 87 -17.523 -7.845 1.944 1.00 2.43 C ATOM 1227 O GLY A 87 -16.740 -8.133 2.857 1.00 72.53 O ATOM 0 H GLY A 87 -17.186 -7.247 -0.460 1.00 20.31 H new ATOM 0 HA2 GLY A 87 -18.858 -8.953 0.664 1.00 33.43 H new ATOM 0 HA3 GLY A 87 -17.345 -9.773 0.997 1.00 33.43 H new ATOM 1231 N GLY A 88 -18.159 -6.678 1.906 1.00 31.14 N ATOM 1232 CA GLY A 88 -18.052 -5.632 2.911 1.00 11.30 C ATOM 1233 C GLY A 88 -18.060 -4.280 2.212 1.00 35.21 C ATOM 1234 O GLY A 88 -17.462 -4.131 1.141 1.00 31.25 O ATOM 0 H GLY A 88 -18.787 -6.428 1.143 1.00 31.14 H new ATOM 0 HA2 GLY A 88 -18.882 -5.698 3.615 1.00 11.30 H new ATOM 0 HA3 GLY A 88 -17.135 -5.754 3.487 1.00 11.30 H new ATOM 1238 N SER A 89 -18.732 -3.299 2.810 1.00 43.34 N ATOM 1239 CA SER A 89 -18.816 -1.950 2.265 1.00 71.22 C ATOM 1240 C SER A 89 -17.433 -1.302 2.277 1.00 14.14 C ATOM 1241 O SER A 89 -16.524 -1.771 2.970 1.00 44.20 O ATOM 1242 CB SER A 89 -19.786 -1.113 3.109 1.00 42.24 C ATOM 1243 OG SER A 89 -19.366 -1.086 4.470 1.00 34.24 O ATOM 0 H SER A 89 -19.235 -3.420 3.689 1.00 43.34 H new ATOM 0 HA SER A 89 -19.180 -1.999 1.239 1.00 71.22 H new ATOM 0 HB2 SER A 89 -19.835 -0.097 2.717 1.00 42.24 H new ATOM 0 HB3 SER A 89 -20.791 -1.530 3.040 1.00 42.24 H new ATOM 0 HG SER A 89 -19.025 -0.194 4.689 1.00 34.24 H new ATOM 1249 N LEU A 90 -17.287 -0.157 1.605 1.00 51.31 N ATOM 1250 CA LEU A 90 -16.027 0.584 1.549 1.00 33.15 C ATOM 1251 C LEU A 90 -15.497 0.882 2.954 1.00 60.42 C ATOM 1252 O LEU A 90 -14.282 0.873 3.158 1.00 54.43 O ATOM 1253 CB LEU A 90 -16.222 1.875 0.732 1.00 33.51 C ATOM 1254 CG LEU A 90 -15.541 1.765 -0.644 1.00 54.50 C ATOM 1255 CD1 LEU A 90 -16.309 2.526 -1.722 1.00 11.23 C ATOM 1256 CD2 LEU A 90 -14.102 2.284 -0.553 1.00 73.45 C ATOM 0 H LEU A 90 -18.044 0.283 1.082 1.00 51.31 H new ATOM 0 HA LEU A 90 -15.277 -0.031 1.052 1.00 33.15 H new ATOM 0 HB2 LEU A 90 -17.286 2.069 0.600 1.00 33.51 H new ATOM 0 HB3 LEU A 90 -15.809 2.722 1.280 1.00 33.51 H new ATOM 0 HG LEU A 90 -15.534 0.713 -0.930 1.00 54.50 H new ATOM 0 HD11 LEU A 90 -15.794 2.422 -2.677 1.00 11.23 H new ATOM 0 HD12 LEU A 90 -17.317 2.119 -1.807 1.00 11.23 H new ATOM 0 HD13 LEU A 90 -16.365 3.581 -1.453 1.00 11.23 H new ATOM 0 HD21 LEU A 90 -13.624 2.204 -1.529 1.00 73.45 H new ATOM 0 HD22 LEU A 90 -14.111 3.327 -0.238 1.00 73.45 H new ATOM 0 HD23 LEU A 90 -13.546 1.690 0.173 1.00 73.45 H new ATOM 1268 N SER A 91 -16.391 1.097 3.927 1.00 35.52 N ATOM 1269 CA SER A 91 -16.017 1.370 5.309 1.00 1.43 C ATOM 1270 C SER A 91 -15.248 0.184 5.916 1.00 23.34 C ATOM 1271 O SER A 91 -14.207 0.369 6.549 1.00 11.32 O ATOM 1272 CB SER A 91 -17.257 1.784 6.116 1.00 61.22 C ATOM 1273 OG SER A 91 -18.302 0.813 6.187 1.00 5.31 O ATOM 0 H SER A 91 -17.399 1.085 3.771 1.00 35.52 H new ATOM 0 HA SER A 91 -15.327 2.213 5.344 1.00 1.43 H new ATOM 0 HB2 SER A 91 -16.943 2.027 7.131 1.00 61.22 H new ATOM 0 HB3 SER A 91 -17.663 2.697 5.680 1.00 61.22 H new ATOM 0 HG SER A 91 -19.043 1.168 6.721 1.00 5.31 H new ATOM 1279 N THR A 92 -15.754 -1.037 5.732 1.00 2.24 N ATOM 1280 CA THR A 92 -15.141 -2.264 6.223 1.00 40.55 C ATOM 1281 C THR A 92 -13.893 -2.569 5.393 1.00 4.01 C ATOM 1282 O THR A 92 -12.839 -2.874 5.956 1.00 5.43 O ATOM 1283 CB THR A 92 -16.194 -3.385 6.138 1.00 14.41 C ATOM 1284 OG1 THR A 92 -17.217 -3.063 7.060 1.00 13.42 O ATOM 1285 CG2 THR A 92 -15.669 -4.786 6.464 1.00 60.54 C ATOM 0 H THR A 92 -16.623 -1.200 5.224 1.00 2.24 H new ATOM 0 HA THR A 92 -14.821 -2.170 7.261 1.00 40.55 H new ATOM 0 HB THR A 92 -16.535 -3.431 5.104 1.00 14.41 H new ATOM 0 HG1 THR A 92 -17.910 -3.755 7.034 1.00 13.42 H new ATOM 0 HG21 THR A 92 -16.481 -5.508 6.378 1.00 60.54 H new ATOM 0 HG22 THR A 92 -14.874 -5.048 5.766 1.00 60.54 H new ATOM 0 HG23 THR A 92 -15.277 -4.800 7.481 1.00 60.54 H new ATOM 1293 N LYS A 93 -13.986 -2.425 4.066 1.00 74.42 N ATOM 1294 CA LYS A 93 -12.903 -2.690 3.131 1.00 60.30 C ATOM 1295 C LYS A 93 -11.623 -1.966 3.532 1.00 42.15 C ATOM 1296 O LYS A 93 -10.572 -2.607 3.624 1.00 61.03 O ATOM 1297 CB LYS A 93 -13.329 -2.315 1.696 1.00 42.31 C ATOM 1298 CG LYS A 93 -12.743 -3.290 0.663 1.00 74.11 C ATOM 1299 CD LYS A 93 -13.776 -4.370 0.291 1.00 14.32 C ATOM 1300 CE LYS A 93 -13.241 -5.478 -0.628 1.00 3.50 C ATOM 1301 NZ LYS A 93 -13.846 -5.495 -1.979 1.00 1.11 N ATOM 0 H LYS A 93 -14.842 -2.112 3.608 1.00 74.42 H new ATOM 0 HA LYS A 93 -12.689 -3.758 3.160 1.00 60.30 H new ATOM 0 HB2 LYS A 93 -14.417 -2.318 1.625 1.00 42.31 H new ATOM 0 HB3 LYS A 93 -12.998 -1.301 1.470 1.00 42.31 H new ATOM 0 HG2 LYS A 93 -12.442 -2.744 -0.231 1.00 74.11 H new ATOM 0 HG3 LYS A 93 -11.846 -3.760 1.066 1.00 74.11 H new ATOM 0 HD2 LYS A 93 -14.151 -4.826 1.207 1.00 14.32 H new ATOM 0 HD3 LYS A 93 -14.624 -3.890 -0.197 1.00 14.32 H new ATOM 0 HE2 LYS A 93 -12.162 -5.362 -0.728 1.00 3.50 H new ATOM 0 HE3 LYS A 93 -13.415 -6.443 -0.153 1.00 3.50 H new ATOM 0 HZ1 LYS A 93 -13.632 -6.401 -2.444 1.00 1.11 H new ATOM 0 HZ2 LYS A 93 -14.877 -5.381 -1.899 1.00 1.11 H new ATOM 0 HZ3 LYS A 93 -13.455 -4.715 -2.545 1.00 1.11 H new ATOM 1315 N THR A 94 -11.687 -0.654 3.773 1.00 4.13 N ATOM 1316 CA THR A 94 -10.507 0.113 4.147 1.00 10.33 C ATOM 1317 C THR A 94 -9.939 -0.351 5.490 1.00 34.11 C ATOM 1318 O THR A 94 -8.733 -0.584 5.607 1.00 4.14 O ATOM 1319 CB THR A 94 -10.807 1.616 4.155 1.00 22.30 C ATOM 1320 OG1 THR A 94 -11.962 1.883 4.913 1.00 10.33 O ATOM 1321 CG2 THR A 94 -11.020 2.141 2.736 1.00 30.20 C ATOM 0 H THR A 94 -12.545 -0.106 3.715 1.00 4.13 H new ATOM 0 HA THR A 94 -9.742 -0.069 3.392 1.00 10.33 H new ATOM 0 HB THR A 94 -9.948 2.119 4.599 1.00 22.30 H new ATOM 0 HG1 THR A 94 -12.758 1.723 4.364 1.00 10.33 H new ATOM 0 HG21 THR A 94 -11.231 3.210 2.771 1.00 30.20 H new ATOM 0 HG22 THR A 94 -10.120 1.968 2.145 1.00 30.20 H new ATOM 0 HG23 THR A 94 -11.861 1.620 2.278 1.00 30.20 H new ATOM 1329 N SER A 95 -10.813 -0.528 6.483 1.00 61.35 N ATOM 1330 CA SER A 95 -10.468 -0.969 7.825 1.00 33.25 C ATOM 1331 C SER A 95 -9.753 -2.325 7.807 1.00 61.41 C ATOM 1332 O SER A 95 -8.812 -2.542 8.574 1.00 43.11 O ATOM 1333 CB SER A 95 -11.750 -0.965 8.678 1.00 21.23 C ATOM 1334 OG SER A 95 -11.668 0.053 9.664 1.00 42.30 O ATOM 0 H SER A 95 -11.812 -0.361 6.365 1.00 61.35 H new ATOM 0 HA SER A 95 -9.752 -0.282 8.277 1.00 33.25 H new ATOM 0 HB2 SER A 95 -12.620 -0.799 8.043 1.00 21.23 H new ATOM 0 HB3 SER A 95 -11.884 -1.936 9.155 1.00 21.23 H new ATOM 0 HG SER A 95 -12.486 0.053 10.203 1.00 42.30 H new ATOM 1340 N SER A 96 -10.133 -3.239 6.912 1.00 74.45 N ATOM 1341 CA SER A 96 -9.479 -4.532 6.842 1.00 62.42 C ATOM 1342 C SER A 96 -8.021 -4.367 6.401 1.00 44.34 C ATOM 1343 O SER A 96 -7.163 -5.073 6.923 1.00 33.41 O ATOM 1344 CB SER A 96 -10.241 -5.467 5.910 1.00 75.35 C ATOM 1345 OG SER A 96 -9.730 -6.774 6.062 1.00 22.34 O ATOM 0 H SER A 96 -10.884 -3.103 6.235 1.00 74.45 H new ATOM 0 HA SER A 96 -9.480 -4.982 7.835 1.00 62.42 H new ATOM 0 HB2 SER A 96 -11.305 -5.448 6.144 1.00 75.35 H new ATOM 0 HB3 SER A 96 -10.136 -5.138 4.876 1.00 75.35 H new ATOM 0 HG SER A 96 -10.446 -7.372 6.362 1.00 22.34 H new ATOM 1351 N ILE A 97 -7.723 -3.469 5.456 1.00 62.13 N ATOM 1352 CA ILE A 97 -6.360 -3.238 4.978 1.00 33.42 C ATOM 1353 C ILE A 97 -5.525 -2.670 6.115 1.00 65.14 C ATOM 1354 O ILE A 97 -4.431 -3.172 6.348 1.00 34.21 O ATOM 1355 CB ILE A 97 -6.355 -2.271 3.777 1.00 73.31 C ATOM 1356 CG1 ILE A 97 -7.035 -2.897 2.555 1.00 34.02 C ATOM 1357 CG2 ILE A 97 -4.951 -1.816 3.364 1.00 12.43 C ATOM 1358 CD1 ILE A 97 -7.846 -1.850 1.773 1.00 74.23 C ATOM 0 H ILE A 97 -8.423 -2.882 5.002 1.00 62.13 H new ATOM 0 HA ILE A 97 -5.934 -4.185 4.646 1.00 33.42 H new ATOM 0 HB ILE A 97 -6.910 -1.397 4.118 1.00 73.31 H new ATOM 0 HG12 ILE A 97 -6.282 -3.339 1.903 1.00 34.02 H new ATOM 0 HG13 ILE A 97 -7.693 -3.705 2.876 1.00 34.02 H new ATOM 0 HG21 ILE A 97 -5.024 -1.138 2.514 1.00 12.43 H new ATOM 0 HG22 ILE A 97 -4.475 -1.301 4.199 1.00 12.43 H new ATOM 0 HG23 ILE A 97 -4.354 -2.685 3.085 1.00 12.43 H new ATOM 0 HD11 ILE A 97 -8.317 -2.324 0.912 1.00 74.23 H new ATOM 0 HD12 ILE A 97 -8.615 -1.428 2.420 1.00 74.23 H new ATOM 0 HD13 ILE A 97 -7.182 -1.056 1.432 1.00 74.23 H new ATOM 1370 N ALA A 98 -6.020 -1.650 6.823 1.00 51.54 N ATOM 1371 CA ALA A 98 -5.276 -1.038 7.916 1.00 13.40 C ATOM 1372 C ALA A 98 -4.904 -2.056 8.993 1.00 74.11 C ATOM 1373 O ALA A 98 -3.811 -1.972 9.556 1.00 50.33 O ATOM 1374 CB ALA A 98 -6.069 0.130 8.494 1.00 11.44 C ATOM 0 H ALA A 98 -6.936 -1.234 6.654 1.00 51.54 H new ATOM 0 HA ALA A 98 -4.336 -0.655 7.518 1.00 13.40 H new ATOM 0 HB1 ALA A 98 -5.507 0.583 9.311 1.00 11.44 H new ATOM 0 HB2 ALA A 98 -6.241 0.874 7.716 1.00 11.44 H new ATOM 0 HB3 ALA A 98 -7.027 -0.231 8.869 1.00 11.44 H new ATOM 1380 N SER A 99 -5.792 -3.009 9.281 1.00 5.44 N ATOM 1381 CA SER A 99 -5.507 -4.031 10.283 1.00 33.34 C ATOM 1382 C SER A 99 -4.564 -5.094 9.717 1.00 13.12 C ATOM 1383 O SER A 99 -3.790 -5.683 10.468 1.00 63.21 O ATOM 1384 CB SER A 99 -6.791 -4.646 10.824 1.00 34.30 C ATOM 1385 OG SER A 99 -7.561 -3.648 11.479 1.00 54.14 O ATOM 0 H SER A 99 -6.707 -3.093 8.837 1.00 5.44 H new ATOM 0 HA SER A 99 -5.002 -3.554 11.123 1.00 33.34 H new ATOM 0 HB2 SER A 99 -7.366 -5.086 10.009 1.00 34.30 H new ATOM 0 HB3 SER A 99 -6.555 -5.452 11.519 1.00 34.30 H new ATOM 0 HG SER A 99 -8.387 -4.046 11.824 1.00 54.14 H new ATOM 1391 N ALA A 100 -4.613 -5.363 8.406 1.00 71.24 N ATOM 1392 CA ALA A 100 -3.706 -6.342 7.830 1.00 50.02 C ATOM 1393 C ALA A 100 -2.294 -5.724 7.863 1.00 72.33 C ATOM 1394 O ALA A 100 -1.346 -6.360 8.330 1.00 11.51 O ATOM 1395 CB ALA A 100 -4.179 -6.724 6.423 1.00 65.43 C ATOM 0 H ALA A 100 -5.256 -4.926 7.746 1.00 71.24 H new ATOM 0 HA ALA A 100 -3.687 -7.274 8.395 1.00 50.02 H new ATOM 0 HB1 ALA A 100 -3.495 -7.458 5.996 1.00 65.43 H new ATOM 0 HB2 ALA A 100 -5.181 -7.150 6.479 1.00 65.43 H new ATOM 0 HB3 ALA A 100 -4.198 -5.836 5.792 1.00 65.43 H new ATOM 1401 N LEU A 101 -2.181 -4.458 7.429 1.00 32.44 N ATOM 1402 CA LEU A 101 -0.963 -3.654 7.373 1.00 43.45 C ATOM 1403 C LEU A 101 -0.301 -3.586 8.736 1.00 44.04 C ATOM 1404 O LEU A 101 0.903 -3.797 8.828 1.00 21.05 O ATOM 1405 CB LEU A 101 -1.265 -2.200 6.946 1.00 23.10 C ATOM 1406 CG LEU A 101 -1.399 -1.979 5.434 1.00 44.31 C ATOM 1407 CD1 LEU A 101 -2.022 -0.604 5.155 1.00 63.24 C ATOM 1408 CD2 LEU A 101 -0.045 -2.006 4.730 1.00 20.51 C ATOM 0 H LEU A 101 -2.992 -3.942 7.088 1.00 32.44 H new ATOM 0 HA LEU A 101 -0.309 -4.134 6.645 1.00 43.45 H new ATOM 0 HB2 LEU A 101 -2.190 -1.881 7.427 1.00 23.10 H new ATOM 0 HB3 LEU A 101 -0.471 -1.555 7.323 1.00 23.10 H new ATOM 0 HG LEU A 101 -2.025 -2.787 5.057 1.00 44.31 H new ATOM 0 HD11 LEU A 101 -2.113 -0.457 4.079 1.00 63.24 H new ATOM 0 HD12 LEU A 101 -3.010 -0.553 5.613 1.00 63.24 H new ATOM 0 HD13 LEU A 101 -1.386 0.175 5.575 1.00 63.24 H new ATOM 0 HD21 LEU A 101 -0.187 -1.845 3.661 1.00 20.51 H new ATOM 0 HD22 LEU A 101 0.591 -1.218 5.134 1.00 20.51 H new ATOM 0 HD23 LEU A 101 0.430 -2.974 4.891 1.00 20.51 H new ATOM 1420 N SER A 102 -1.058 -3.289 9.795 1.00 43.33 N ATOM 1421 CA SER A 102 -0.484 -3.190 11.126 1.00 41.41 C ATOM 1422 C SER A 102 0.253 -4.475 11.512 1.00 64.02 C ATOM 1423 O SER A 102 1.339 -4.415 12.092 1.00 61.33 O ATOM 1424 CB SER A 102 -1.558 -2.761 12.133 1.00 61.24 C ATOM 1425 OG SER A 102 -2.641 -3.661 12.178 1.00 31.22 O ATOM 0 H SER A 102 -2.062 -3.115 9.751 1.00 43.33 H new ATOM 0 HA SER A 102 0.278 -2.411 11.135 1.00 41.41 H new ATOM 0 HB2 SER A 102 -1.112 -2.683 13.125 1.00 61.24 H new ATOM 0 HB3 SER A 102 -1.924 -1.769 11.869 1.00 61.24 H new ATOM 0 HG SER A 102 -2.584 -4.280 11.420 1.00 31.22 H new ATOM 1431 N ASN A 103 -0.321 -5.634 11.181 1.00 54.32 N ATOM 1432 CA ASN A 103 0.275 -6.929 11.471 1.00 4.34 C ATOM 1433 C ASN A 103 1.490 -7.171 10.569 1.00 52.03 C ATOM 1434 O ASN A 103 2.528 -7.619 11.055 1.00 22.15 O ATOM 1435 CB ASN A 103 -0.777 -8.033 11.289 1.00 0.10 C ATOM 1436 CG ASN A 103 -0.423 -9.313 12.038 1.00 21.21 C ATOM 1437 OD1 ASN A 103 0.077 -9.283 13.162 1.00 12.14 O ATOM 1438 ND2 ASN A 103 -0.732 -10.466 11.477 1.00 31.14 N ATOM 0 H ASN A 103 -1.219 -5.695 10.701 1.00 54.32 H new ATOM 0 HA ASN A 103 0.619 -6.944 12.505 1.00 4.34 H new ATOM 0 HB2 ASN A 103 -1.744 -7.669 11.637 1.00 0.10 H new ATOM 0 HB3 ASN A 103 -0.884 -8.256 10.227 1.00 0.10 H new ATOM 0 HD21 ASN A 103 -0.557 -11.339 11.975 1.00 31.14 H new ATOM 0 HD22 ASN A 103 -1.146 -10.485 10.545 1.00 31.14 H new ATOM 1445 N ALA A 104 1.375 -6.857 9.270 1.00 61.10 N ATOM 1446 CA ALA A 104 2.430 -7.030 8.273 1.00 41.21 C ATOM 1447 C ALA A 104 3.667 -6.194 8.597 1.00 70.11 C ATOM 1448 O ALA A 104 4.779 -6.724 8.552 1.00 41.03 O ATOM 1449 CB ALA A 104 1.910 -6.719 6.861 1.00 74.14 C ATOM 0 H ALA A 104 0.519 -6.465 8.878 1.00 61.10 H new ATOM 0 HA ALA A 104 2.732 -8.077 8.303 1.00 41.21 H new ATOM 0 HB1 ALA A 104 2.715 -6.855 6.139 1.00 74.14 H new ATOM 0 HB2 ALA A 104 1.088 -7.392 6.620 1.00 74.14 H new ATOM 0 HB3 ALA A 104 1.558 -5.688 6.822 1.00 74.14 H new ATOM 1455 N PHE A 105 3.511 -4.914 8.959 1.00 23.24 N ATOM 1456 CA PHE A 105 4.645 -4.059 9.279 1.00 61.22 C ATOM 1457 C PHE A 105 5.488 -4.684 10.391 1.00 5.45 C ATOM 1458 O PHE A 105 6.723 -4.672 10.314 1.00 3.43 O ATOM 1459 CB PHE A 105 4.178 -2.658 9.678 1.00 35.42 C ATOM 1460 CG PHE A 105 4.067 -1.670 8.536 1.00 70.40 C ATOM 1461 CD1 PHE A 105 5.235 -1.196 7.905 1.00 43.45 C ATOM 1462 CD2 PHE A 105 2.812 -1.172 8.146 1.00 15.41 C ATOM 1463 CE1 PHE A 105 5.137 -0.246 6.872 1.00 52.13 C ATOM 1464 CE2 PHE A 105 2.717 -0.231 7.110 1.00 41.14 C ATOM 1465 CZ PHE A 105 3.877 0.222 6.465 1.00 31.35 C ATOM 0 H PHE A 105 2.604 -4.453 9.036 1.00 23.24 H new ATOM 0 HA PHE A 105 5.264 -3.966 8.387 1.00 61.22 H new ATOM 0 HB2 PHE A 105 3.205 -2.740 10.163 1.00 35.42 H new ATOM 0 HB3 PHE A 105 4.871 -2.258 10.418 1.00 35.42 H new ATOM 0 HD1 PHE A 105 6.203 -1.561 8.214 1.00 43.45 H new ATOM 0 HD2 PHE A 105 1.918 -1.515 8.645 1.00 15.41 H new ATOM 0 HE1 PHE A 105 6.031 0.124 6.392 1.00 52.13 H new ATOM 0 HE2 PHE A 105 1.750 0.145 6.809 1.00 41.14 H new ATOM 0 HZ PHE A 105 3.801 0.932 5.654 1.00 31.35 H new ATOM 1475 N LEU A 106 4.830 -5.254 11.407 1.00 64.11 N ATOM 1476 CA LEU A 106 5.507 -5.891 12.526 1.00 3.51 C ATOM 1477 C LEU A 106 6.342 -7.089 12.082 1.00 22.33 C ATOM 1478 O LEU A 106 7.355 -7.357 12.729 1.00 63.15 O ATOM 1479 CB LEU A 106 4.508 -6.318 13.608 1.00 3.22 C ATOM 1480 CG LEU A 106 3.887 -5.163 14.409 1.00 73.44 C ATOM 1481 CD1 LEU A 106 2.986 -5.744 15.493 1.00 11.12 C ATOM 1482 CD2 LEU A 106 4.943 -4.280 15.075 1.00 4.32 C ATOM 0 H LEU A 106 3.812 -5.283 11.470 1.00 64.11 H new ATOM 0 HA LEU A 106 6.184 -5.148 12.947 1.00 3.51 H new ATOM 0 HB2 LEU A 106 3.706 -6.886 13.137 1.00 3.22 H new ATOM 0 HB3 LEU A 106 5.012 -6.992 14.301 1.00 3.22 H new ATOM 0 HG LEU A 106 3.325 -4.543 13.711 1.00 73.44 H new ATOM 0 HD11 LEU A 106 2.539 -4.933 16.068 1.00 11.12 H new ATOM 0 HD12 LEU A 106 2.198 -6.338 15.031 1.00 11.12 H new ATOM 0 HD13 LEU A 106 3.576 -6.377 16.156 1.00 11.12 H new ATOM 0 HD21 LEU A 106 4.452 -3.479 15.628 1.00 4.32 H new ATOM 0 HD22 LEU A 106 5.540 -4.881 15.761 1.00 4.32 H new ATOM 0 HD23 LEU A 106 5.591 -3.849 14.312 1.00 4.32 H new ATOM 1494 N GLN A 107 5.949 -7.804 11.024 1.00 13.51 N ATOM 1495 CA GLN A 107 6.702 -8.950 10.522 1.00 53.00 C ATOM 1496 C GLN A 107 7.996 -8.447 9.873 1.00 72.34 C ATOM 1497 O GLN A 107 9.065 -9.018 10.098 1.00 73.52 O ATOM 1498 CB GLN A 107 5.875 -9.760 9.503 1.00 23.44 C ATOM 1499 CG GLN A 107 4.636 -10.411 10.133 1.00 61.31 C ATOM 1500 CD GLN A 107 3.721 -11.074 9.104 1.00 51.20 C ATOM 1501 OE1 GLN A 107 3.222 -10.440 8.179 1.00 62.14 O ATOM 1502 NE2 GLN A 107 3.428 -12.352 9.261 1.00 12.54 N ATOM 0 H GLN A 107 5.101 -7.603 10.494 1.00 13.51 H new ATOM 0 HA GLN A 107 6.936 -9.612 11.356 1.00 53.00 H new ATOM 0 HB2 GLN A 107 5.563 -9.104 8.691 1.00 23.44 H new ATOM 0 HB3 GLN A 107 6.504 -10.534 9.064 1.00 23.44 H new ATOM 0 HG2 GLN A 107 4.955 -11.157 10.861 1.00 61.31 H new ATOM 0 HG3 GLN A 107 4.072 -9.654 10.678 1.00 61.31 H new ATOM 0 HE21 GLN A 107 3.842 -12.880 10.029 1.00 12.54 H new ATOM 0 HE22 GLN A 107 2.787 -12.812 8.614 1.00 12.54 H new ATOM 1511 N THR A 108 7.928 -7.344 9.125 1.00 45.50 N ATOM 1512 CA THR A 108 9.070 -6.765 8.433 1.00 2.20 C ATOM 1513 C THR A 108 10.059 -5.994 9.312 1.00 11.45 C ATOM 1514 O THR A 108 11.252 -6.311 9.307 1.00 31.20 O ATOM 1515 CB THR A 108 8.581 -5.827 7.309 1.00 52.50 C ATOM 1516 OG1 THR A 108 7.349 -5.192 7.613 1.00 3.13 O ATOM 1517 CG2 THR A 108 8.398 -6.561 5.986 1.00 34.14 C ATOM 0 H THR A 108 7.062 -6.823 8.984 1.00 45.50 H new ATOM 0 HA THR A 108 9.619 -7.624 8.046 1.00 2.20 H new ATOM 0 HB THR A 108 9.366 -5.076 7.222 1.00 52.50 H new ATOM 0 HG1 THR A 108 7.325 -4.964 8.566 1.00 3.13 H new ATOM 0 HG21 THR A 108 8.053 -5.860 5.226 1.00 34.14 H new ATOM 0 HG22 THR A 108 9.349 -6.994 5.676 1.00 34.14 H new ATOM 0 HG23 THR A 108 7.661 -7.355 6.109 1.00 34.14 H new ATOM 1525 N THR A 109 9.593 -4.968 10.030 1.00 33.41 N ATOM 1526 CA THR A 109 10.431 -4.097 10.848 1.00 60.25 C ATOM 1527 C THR A 109 10.030 -3.955 12.321 1.00 74.32 C ATOM 1528 O THR A 109 10.676 -3.189 13.042 1.00 51.02 O ATOM 1529 CB THR A 109 10.477 -2.740 10.115 1.00 43.52 C ATOM 1530 OG1 THR A 109 9.162 -2.293 9.827 1.00 43.45 O ATOM 1531 CG2 THR A 109 11.194 -2.826 8.762 1.00 12.01 C ATOM 0 H THR A 109 8.605 -4.718 10.057 1.00 33.41 H new ATOM 0 HA THR A 109 11.416 -4.555 10.939 1.00 60.25 H new ATOM 0 HB THR A 109 11.011 -2.063 10.781 1.00 43.52 H new ATOM 0 HG1 THR A 109 9.204 -1.431 9.364 1.00 43.45 H new ATOM 0 HG21 THR A 109 11.198 -1.844 8.289 1.00 12.01 H new ATOM 0 HG22 THR A 109 12.221 -3.159 8.915 1.00 12.01 H new ATOM 0 HG23 THR A 109 10.674 -3.536 8.119 1.00 12.01 H new ATOM 1539 N GLY A 110 8.962 -4.610 12.796 1.00 32.13 N ATOM 1540 CA GLY A 110 8.577 -4.494 14.198 1.00 62.22 C ATOM 1541 C GLY A 110 8.053 -3.109 14.597 1.00 63.31 C ATOM 1542 O GLY A 110 7.843 -2.888 15.791 1.00 61.40 O ATOM 0 H GLY A 110 8.361 -5.215 12.236 1.00 32.13 H new ATOM 0 HA2 GLY A 110 7.809 -5.236 14.414 1.00 62.22 H new ATOM 0 HA3 GLY A 110 9.438 -4.737 14.820 1.00 62.22 H new ATOM 1546 N VAL A 111 7.823 -2.185 13.656 1.00 72.52 N ATOM 1547 CA VAL A 111 7.320 -0.839 13.918 1.00 52.13 C ATOM 1548 C VAL A 111 5.941 -0.710 13.281 1.00 72.45 C ATOM 1549 O VAL A 111 5.784 -0.919 12.080 1.00 63.33 O ATOM 1550 CB VAL A 111 8.328 0.236 13.452 1.00 64.00 C ATOM 1551 CG1 VAL A 111 8.802 0.121 11.999 1.00 51.25 C ATOM 1552 CG2 VAL A 111 7.782 1.646 13.698 1.00 35.54 C ATOM 0 H VAL A 111 7.988 -2.362 12.665 1.00 72.52 H new ATOM 0 HA VAL A 111 7.210 -0.670 14.989 1.00 52.13 H new ATOM 0 HB VAL A 111 9.210 0.047 14.065 1.00 64.00 H new ATOM 0 HG11 VAL A 111 9.505 0.925 11.781 1.00 51.25 H new ATOM 0 HG12 VAL A 111 9.293 -0.841 11.852 1.00 51.25 H new ATOM 0 HG13 VAL A 111 7.945 0.197 11.330 1.00 51.25 H new ATOM 0 HG21 VAL A 111 8.511 2.383 13.361 1.00 35.54 H new ATOM 0 HG22 VAL A 111 6.852 1.777 13.145 1.00 35.54 H new ATOM 0 HG23 VAL A 111 7.594 1.783 14.763 1.00 35.54 H new ATOM 1562 N VAL A 112 4.930 -0.388 14.079 1.00 32.15 N ATOM 1563 CA VAL A 112 3.553 -0.222 13.648 1.00 22.21 C ATOM 1564 C VAL A 112 3.162 1.194 14.069 1.00 12.54 C ATOM 1565 O VAL A 112 3.212 1.504 15.263 1.00 31.53 O ATOM 1566 CB VAL A 112 2.707 -1.370 14.234 1.00 54.34 C ATOM 1567 CG1 VAL A 112 2.671 -1.480 15.767 1.00 13.41 C ATOM 1568 CG2 VAL A 112 1.284 -1.326 13.687 1.00 14.23 C ATOM 0 H VAL A 112 5.054 -0.230 15.079 1.00 32.15 H new ATOM 0 HA VAL A 112 3.391 -0.298 12.573 1.00 22.21 H new ATOM 0 HB VAL A 112 3.229 -2.268 13.903 1.00 54.34 H new ATOM 0 HG11 VAL A 112 2.045 -2.324 16.057 1.00 13.41 H new ATOM 0 HG12 VAL A 112 3.682 -1.632 16.145 1.00 13.41 H new ATOM 0 HG13 VAL A 112 2.261 -0.562 16.188 1.00 13.41 H new ATOM 0 HG21 VAL A 112 0.705 -2.145 14.114 1.00 14.23 H new ATOM 0 HG22 VAL A 112 0.821 -0.376 13.954 1.00 14.23 H new ATOM 0 HG23 VAL A 112 1.308 -1.426 12.602 1.00 14.23 H new ATOM 1578 N ASN A 113 2.789 2.057 13.119 1.00 1.52 N ATOM 1579 CA ASN A 113 2.407 3.444 13.398 1.00 4.21 C ATOM 1580 C ASN A 113 0.992 3.696 12.895 1.00 44.22 C ATOM 1581 O ASN A 113 0.738 3.676 11.688 1.00 32.21 O ATOM 1582 CB ASN A 113 3.393 4.431 12.754 1.00 50.22 C ATOM 1583 CG ASN A 113 4.719 4.565 13.497 1.00 20.22 C ATOM 1584 OD1 ASN A 113 5.091 3.746 14.333 1.00 11.02 O ATOM 1585 ND2 ASN A 113 5.475 5.608 13.216 1.00 23.43 N ATOM 0 H ASN A 113 2.743 1.811 12.130 1.00 1.52 H new ATOM 0 HA ASN A 113 2.438 3.603 14.476 1.00 4.21 H new ATOM 0 HB2 ASN A 113 3.593 4.112 11.731 1.00 50.22 H new ATOM 0 HB3 ASN A 113 2.921 5.412 12.695 1.00 50.22 H new ATOM 0 HD21 ASN A 113 6.368 5.734 13.693 1.00 23.43 H new ATOM 0 HD22 ASN A 113 5.167 6.289 12.522 1.00 23.43 H new ATOM 1592 N GLN A 114 0.071 3.952 13.820 1.00 23.14 N ATOM 1593 CA GLN A 114 -1.336 4.218 13.566 1.00 1.24 C ATOM 1594 C GLN A 114 -1.569 5.293 12.486 1.00 24.15 C ATOM 1595 O GLN A 114 -2.246 4.971 11.507 1.00 24.34 O ATOM 1596 CB GLN A 114 -2.049 4.593 14.878 1.00 10.12 C ATOM 1597 CG GLN A 114 -2.245 3.427 15.851 1.00 75.42 C ATOM 1598 CD GLN A 114 -2.817 3.919 17.175 1.00 63.21 C ATOM 1599 OE1 GLN A 114 -2.093 4.428 18.029 1.00 11.44 O ATOM 1600 NE2 GLN A 114 -4.115 3.814 17.373 1.00 40.14 N ATOM 0 H GLN A 114 0.300 3.980 14.814 1.00 23.14 H new ATOM 0 HA GLN A 114 -1.765 3.298 13.170 1.00 1.24 H new ATOM 0 HB2 GLN A 114 -1.476 5.374 15.378 1.00 10.12 H new ATOM 0 HB3 GLN A 114 -3.024 5.017 14.638 1.00 10.12 H new ATOM 0 HG2 GLN A 114 -2.916 2.689 15.411 1.00 75.42 H new ATOM 0 HG3 GLN A 114 -1.292 2.928 16.024 1.00 75.42 H new ATOM 0 HE21 GLN A 114 -4.707 3.390 16.659 1.00 40.14 H new ATOM 0 HE22 GLN A 114 -4.528 4.156 18.241 1.00 40.14 H new ATOM 1609 N PRO A 115 -1.062 6.541 12.596 1.00 20.05 N ATOM 1610 CA PRO A 115 -1.311 7.560 11.581 1.00 12.03 C ATOM 1611 C PRO A 115 -0.662 7.251 10.233 1.00 51.50 C ATOM 1612 O PRO A 115 -1.218 7.667 9.219 1.00 10.33 O ATOM 1613 CB PRO A 115 -0.806 8.878 12.164 1.00 45.35 C ATOM 1614 CG PRO A 115 0.270 8.442 13.152 1.00 13.10 C ATOM 1615 CD PRO A 115 -0.241 7.098 13.664 1.00 52.01 C ATOM 0 HA PRO A 115 -2.377 7.603 11.357 1.00 12.03 H new ATOM 0 HB2 PRO A 115 -0.400 9.530 11.390 1.00 45.35 H new ATOM 0 HB3 PRO A 115 -1.605 9.430 12.659 1.00 45.35 H new ATOM 0 HG2 PRO A 115 1.242 8.344 12.669 1.00 13.10 H new ATOM 0 HG3 PRO A 115 0.387 9.162 13.962 1.00 13.10 H new ATOM 0 HD2 PRO A 115 0.588 6.433 13.905 1.00 52.01 H new ATOM 0 HD3 PRO A 115 -0.823 7.225 14.577 1.00 52.01 H new ATOM 1623 N PHE A 116 0.463 6.531 10.207 1.00 21.45 N ATOM 1624 CA PHE A 116 1.161 6.166 8.979 1.00 24.22 C ATOM 1625 C PHE A 116 0.237 5.264 8.160 1.00 61.50 C ATOM 1626 O PHE A 116 -0.033 5.522 6.993 1.00 70.54 O ATOM 1627 CB PHE A 116 2.492 5.483 9.338 1.00 44.51 C ATOM 1628 CG PHE A 116 3.474 5.290 8.196 1.00 71.30 C ATOM 1629 CD1 PHE A 116 3.714 4.007 7.664 1.00 2.31 C ATOM 1630 CD2 PHE A 116 4.201 6.389 7.702 1.00 73.01 C ATOM 1631 CE1 PHE A 116 4.694 3.827 6.670 1.00 75.01 C ATOM 1632 CE2 PHE A 116 5.166 6.209 6.696 1.00 32.24 C ATOM 1633 CZ PHE A 116 5.429 4.925 6.192 1.00 33.23 C ATOM 0 H PHE A 116 0.917 6.183 11.051 1.00 21.45 H new ATOM 0 HA PHE A 116 1.404 7.041 8.376 1.00 24.22 H new ATOM 0 HB2 PHE A 116 2.981 6.071 10.115 1.00 44.51 H new ATOM 0 HB3 PHE A 116 2.271 4.507 9.769 1.00 44.51 H new ATOM 0 HD1 PHE A 116 3.145 3.161 8.020 1.00 2.31 H new ATOM 0 HD2 PHE A 116 4.016 7.377 8.098 1.00 73.01 H new ATOM 0 HE1 PHE A 116 4.882 2.840 6.273 1.00 75.01 H new ATOM 0 HE2 PHE A 116 5.707 7.060 6.310 1.00 32.24 H new ATOM 0 HZ PHE A 116 6.192 4.782 5.441 1.00 33.23 H new ATOM 1643 N ILE A 117 -0.315 4.229 8.795 1.00 62.41 N ATOM 1644 CA ILE A 117 -1.230 3.280 8.163 1.00 43.22 C ATOM 1645 C ILE A 117 -2.554 3.986 7.817 1.00 33.25 C ATOM 1646 O ILE A 117 -3.216 3.636 6.835 1.00 54.31 O ATOM 1647 CB ILE A 117 -1.412 2.095 9.138 1.00 51.23 C ATOM 1648 CG1 ILE A 117 -0.083 1.322 9.320 1.00 63.13 C ATOM 1649 CG2 ILE A 117 -2.512 1.136 8.658 1.00 1.23 C ATOM 1650 CD1 ILE A 117 -0.058 0.462 10.586 1.00 22.01 C ATOM 0 H ILE A 117 -0.136 4.024 9.778 1.00 62.41 H new ATOM 0 HA ILE A 117 -0.835 2.897 7.222 1.00 43.22 H new ATOM 0 HB ILE A 117 -1.715 2.510 10.099 1.00 51.23 H new ATOM 0 HG12 ILE A 117 0.082 0.684 8.451 1.00 63.13 H new ATOM 0 HG13 ILE A 117 0.742 2.033 9.354 1.00 63.13 H new ATOM 0 HG21 ILE A 117 -2.613 0.314 9.367 1.00 1.23 H new ATOM 0 HG22 ILE A 117 -3.458 1.673 8.588 1.00 1.23 H new ATOM 0 HG23 ILE A 117 -2.246 0.739 7.678 1.00 1.23 H new ATOM 0 HD11 ILE A 117 0.899 -0.054 10.656 1.00 22.01 H new ATOM 0 HD12 ILE A 117 -0.192 1.098 11.461 1.00 22.01 H new ATOM 0 HD13 ILE A 117 -0.863 -0.271 10.544 1.00 22.01 H new ATOM 1662 N ASN A 118 -2.960 4.972 8.626 1.00 72.34 N ATOM 1663 CA ASN A 118 -4.199 5.712 8.411 1.00 20.51 C ATOM 1664 C ASN A 118 -4.094 6.689 7.237 1.00 11.22 C ATOM 1665 O ASN A 118 -5.110 7.096 6.686 1.00 35.01 O ATOM 1666 CB ASN A 118 -4.619 6.433 9.694 1.00 2.33 C ATOM 1667 CG ASN A 118 -6.063 6.892 9.604 1.00 22.13 C ATOM 1668 OD1 ASN A 118 -6.338 8.086 9.555 1.00 5.11 O ATOM 1669 ND2 ASN A 118 -7.013 5.976 9.613 1.00 44.41 N ATOM 0 H ASN A 118 -2.436 5.276 9.447 1.00 72.34 H new ATOM 0 HA ASN A 118 -4.971 4.989 8.148 1.00 20.51 H new ATOM 0 HB2 ASN A 118 -4.497 5.767 10.548 1.00 2.33 H new ATOM 0 HB3 ASN A 118 -3.969 7.292 9.864 1.00 2.33 H new ATOM 0 HD21 ASN A 118 -7.993 6.257 9.579 1.00 44.41 H new ATOM 0 HD22 ASN A 118 -6.767 4.987 9.654 1.00 44.41 H new ATOM 1676 N GLU A 119 -2.893 7.089 6.817 1.00 44.10 N ATOM 1677 CA GLU A 119 -2.764 8.000 5.680 1.00 72.23 C ATOM 1678 C GLU A 119 -3.239 7.263 4.407 1.00 64.32 C ATOM 1679 O GLU A 119 -3.826 7.858 3.503 1.00 75.32 O ATOM 1680 CB GLU A 119 -1.322 8.545 5.602 1.00 32.33 C ATOM 1681 CG GLU A 119 -0.403 7.707 4.697 1.00 13.14 C ATOM 1682 CD GLU A 119 1.098 7.971 4.856 1.00 42.34 C ATOM 1683 OE1 GLU A 119 1.513 8.867 5.635 1.00 42.51 O ATOM 1684 OE2 GLU A 119 1.876 7.298 4.145 1.00 34.20 O ATOM 0 H GLU A 119 -2.010 6.802 7.239 1.00 44.10 H new ATOM 0 HA GLU A 119 -3.398 8.879 5.794 1.00 72.23 H new ATOM 0 HB2 GLU A 119 -1.348 9.570 5.232 1.00 32.33 H new ATOM 0 HB3 GLU A 119 -0.899 8.579 6.606 1.00 32.33 H new ATOM 0 HG2 GLU A 119 -0.592 6.652 4.895 1.00 13.14 H new ATOM 0 HG3 GLU A 119 -0.679 7.891 3.659 1.00 13.14 H new ATOM 1691 N ILE A 120 -3.029 5.941 4.376 1.00 34.54 N ATOM 1692 CA ILE A 120 -3.384 5.046 3.290 1.00 51.44 C ATOM 1693 C ILE A 120 -4.904 4.879 3.240 1.00 25.24 C ATOM 1694 O ILE A 120 -5.458 4.862 2.141 1.00 5.11 O ATOM 1695 CB ILE A 120 -2.646 3.695 3.471 1.00 52.12 C ATOM 1696 CG1 ILE A 120 -1.121 3.837 3.682 1.00 71.13 C ATOM 1697 CG2 ILE A 120 -2.920 2.711 2.321 1.00 13.34 C ATOM 1698 CD1 ILE A 120 -0.389 4.625 2.590 1.00 53.43 C ATOM 0 H ILE A 120 -2.584 5.451 5.152 1.00 34.54 H new ATOM 0 HA ILE A 120 -3.071 5.464 2.334 1.00 51.44 H new ATOM 0 HB ILE A 120 -3.065 3.286 4.390 1.00 52.12 H new ATOM 0 HG12 ILE A 120 -0.945 4.324 4.641 1.00 71.13 H new ATOM 0 HG13 ILE A 120 -0.683 2.841 3.746 1.00 71.13 H new ATOM 0 HG21 ILE A 120 -2.378 1.782 2.500 1.00 13.34 H new ATOM 0 HG22 ILE A 120 -3.989 2.503 2.267 1.00 13.34 H new ATOM 0 HG23 ILE A 120 -2.588 3.149 1.380 1.00 13.34 H new ATOM 0 HD11 ILE A 120 0.674 4.671 2.825 1.00 53.43 H new ATOM 0 HD12 ILE A 120 -0.527 4.129 1.629 1.00 53.43 H new ATOM 0 HD13 ILE A 120 -0.793 5.636 2.538 1.00 53.43 H new ATOM 1710 N THR A 121 -5.586 4.757 4.390 1.00 20.34 N ATOM 1711 CA THR A 121 -7.049 4.594 4.381 1.00 20.55 C ATOM 1712 C THR A 121 -7.687 5.795 3.677 1.00 73.14 C ATOM 1713 O THR A 121 -8.593 5.626 2.852 1.00 54.42 O ATOM 1714 CB THR A 121 -7.648 4.390 5.788 1.00 20.22 C ATOM 1715 OG1 THR A 121 -7.389 5.494 6.612 1.00 20.12 O ATOM 1716 CG2 THR A 121 -7.090 3.178 6.531 1.00 73.44 C ATOM 0 H THR A 121 -5.161 4.768 5.317 1.00 20.34 H new ATOM 0 HA THR A 121 -7.275 3.680 3.832 1.00 20.55 H new ATOM 0 HB THR A 121 -8.713 4.247 5.604 1.00 20.22 H new ATOM 0 HG1 THR A 121 -6.494 5.843 6.419 1.00 20.12 H new ATOM 0 HG21 THR A 121 -7.561 3.104 7.511 1.00 73.44 H new ATOM 0 HG22 THR A 121 -7.297 2.274 5.959 1.00 73.44 H new ATOM 0 HG23 THR A 121 -6.013 3.291 6.654 1.00 73.44 H new ATOM 1724 N GLN A 122 -7.167 6.998 3.960 1.00 63.23 N ATOM 1725 CA GLN A 122 -7.644 8.231 3.369 1.00 42.12 C ATOM 1726 C GLN A 122 -7.541 8.175 1.848 1.00 72.44 C ATOM 1727 O GLN A 122 -8.476 8.646 1.204 1.00 42.32 O ATOM 1728 CB GLN A 122 -6.900 9.450 3.941 1.00 0.03 C ATOM 1729 CG GLN A 122 -7.714 10.159 5.028 1.00 35.43 C ATOM 1730 CD GLN A 122 -7.779 9.403 6.350 1.00 24.13 C ATOM 1731 OE1 GLN A 122 -8.760 8.722 6.661 1.00 3.53 O ATOM 1732 NE2 GLN A 122 -6.767 9.545 7.182 1.00 63.13 N ATOM 0 H GLN A 122 -6.396 7.131 4.614 1.00 63.23 H new ATOM 0 HA GLN A 122 -8.696 8.345 3.629 1.00 42.12 H new ATOM 0 HB2 GLN A 122 -5.944 9.130 4.355 1.00 0.03 H new ATOM 0 HB3 GLN A 122 -6.681 10.152 3.136 1.00 0.03 H new ATOM 0 HG2 GLN A 122 -7.282 11.144 5.206 1.00 35.43 H new ATOM 0 HG3 GLN A 122 -8.728 10.317 4.662 1.00 35.43 H new ATOM 0 HE21 GLN A 122 -5.962 10.110 6.914 1.00 63.13 H new ATOM 0 HE22 GLN A 122 -6.789 9.089 8.094 1.00 63.13 H new ATOM 1741 N LEU A 123 -6.461 7.631 1.266 1.00 42.35 N ATOM 1742 CA LEU A 123 -6.355 7.555 -0.189 1.00 21.41 C ATOM 1743 C LEU A 123 -7.419 6.619 -0.741 1.00 21.25 C ATOM 1744 O LEU A 123 -8.092 7.014 -1.681 1.00 45.04 O ATOM 1745 CB LEU A 123 -5.007 7.019 -0.692 1.00 62.30 C ATOM 1746 CG LEU A 123 -3.933 8.004 -1.151 1.00 33.34 C ATOM 1747 CD1 LEU A 123 -4.330 8.806 -2.395 1.00 10.51 C ATOM 1748 CD2 LEU A 123 -3.530 8.929 -0.019 1.00 75.34 C ATOM 0 H LEU A 123 -5.665 7.245 1.774 1.00 42.35 H new ATOM 0 HA LEU A 123 -6.474 8.582 -0.533 1.00 21.41 H new ATOM 0 HB2 LEU A 123 -4.577 6.414 0.106 1.00 62.30 H new ATOM 0 HB3 LEU A 123 -5.212 6.347 -1.525 1.00 62.30 H new ATOM 0 HG LEU A 123 -3.073 7.400 -1.441 1.00 33.34 H new ATOM 0 HD11 LEU A 123 -3.521 9.485 -2.664 1.00 10.51 H new ATOM 0 HD12 LEU A 123 -4.521 8.123 -3.223 1.00 10.51 H new ATOM 0 HD13 LEU A 123 -5.231 9.382 -2.184 1.00 10.51 H new ATOM 0 HD21 LEU A 123 -2.764 9.621 -0.370 1.00 75.34 H new ATOM 0 HD22 LEU A 123 -4.400 9.491 0.319 1.00 75.34 H new ATOM 0 HD23 LEU A 123 -3.135 8.340 0.809 1.00 75.34 H new ATOM 1760 N VAL A 124 -7.571 5.399 -0.207 1.00 31.22 N ATOM 1761 CA VAL A 124 -8.562 4.460 -0.717 1.00 23.32 C ATOM 1762 C VAL A 124 -9.962 5.088 -0.688 1.00 64.04 C ATOM 1763 O VAL A 124 -10.676 5.034 -1.688 1.00 32.44 O ATOM 1764 CB VAL A 124 -8.491 3.156 0.091 1.00 73.34 C ATOM 1765 CG1 VAL A 124 -9.433 2.079 -0.465 1.00 72.13 C ATOM 1766 CG2 VAL A 124 -7.082 2.540 0.110 1.00 21.42 C ATOM 0 H VAL A 124 -7.019 5.046 0.575 1.00 31.22 H new ATOM 0 HA VAL A 124 -8.346 4.222 -1.758 1.00 23.32 H new ATOM 0 HB VAL A 124 -8.786 3.447 1.099 1.00 73.34 H new ATOM 0 HG11 VAL A 124 -9.348 1.175 0.138 1.00 72.13 H new ATOM 0 HG12 VAL A 124 -10.460 2.442 -0.433 1.00 72.13 H new ATOM 0 HG13 VAL A 124 -9.160 1.854 -1.496 1.00 72.13 H new ATOM 0 HG21 VAL A 124 -7.095 1.621 0.696 1.00 21.42 H new ATOM 0 HG22 VAL A 124 -6.769 2.316 -0.910 1.00 21.42 H new ATOM 0 HG23 VAL A 124 -6.382 3.246 0.557 1.00 21.42 H new ATOM 1776 N SER A 125 -10.355 5.689 0.438 1.00 22.53 N ATOM 1777 CA SER A 125 -11.657 6.324 0.581 1.00 1.03 C ATOM 1778 C SER A 125 -11.778 7.483 -0.418 1.00 5.00 C ATOM 1779 O SER A 125 -12.738 7.543 -1.184 1.00 1.32 O ATOM 1780 CB SER A 125 -11.816 6.761 2.044 1.00 12.04 C ATOM 1781 OG SER A 125 -13.110 7.254 2.362 1.00 42.24 O ATOM 0 H SER A 125 -9.774 5.746 1.275 1.00 22.53 H new ATOM 0 HA SER A 125 -12.469 5.635 0.348 1.00 1.03 H new ATOM 0 HB2 SER A 125 -11.592 5.914 2.692 1.00 12.04 H new ATOM 0 HB3 SER A 125 -11.080 7.534 2.264 1.00 12.04 H new ATOM 0 HG SER A 125 -13.139 7.511 3.307 1.00 42.24 H new ATOM 1787 N MET A 126 -10.795 8.388 -0.451 1.00 64.14 N ATOM 1788 CA MET A 126 -10.801 9.534 -1.348 1.00 3.13 C ATOM 1789 C MET A 126 -10.873 9.099 -2.812 1.00 2.40 C ATOM 1790 O MET A 126 -11.607 9.717 -3.579 1.00 75.33 O ATOM 1791 CB MET A 126 -9.573 10.414 -1.086 1.00 32.40 C ATOM 1792 CG MET A 126 -9.619 11.721 -1.885 1.00 52.22 C ATOM 1793 SD MET A 126 -8.250 12.862 -1.544 1.00 31.41 S ATOM 1794 CE MET A 126 -6.861 11.841 -2.100 1.00 15.04 C ATOM 0 H MET A 126 -9.971 8.341 0.149 1.00 64.14 H new ATOM 0 HA MET A 126 -11.696 10.122 -1.147 1.00 3.13 H new ATOM 0 HB2 MET A 126 -9.511 10.642 -0.022 1.00 32.40 H new ATOM 0 HB3 MET A 126 -8.670 9.862 -1.346 1.00 32.40 H new ATOM 0 HG2 MET A 126 -9.619 11.482 -2.948 1.00 52.22 H new ATOM 0 HG3 MET A 126 -10.560 12.229 -1.672 1.00 52.22 H new ATOM 0 HE1 MET A 126 -5.979 12.468 -2.233 1.00 15.04 H new ATOM 0 HE2 MET A 126 -6.652 11.074 -1.354 1.00 15.04 H new ATOM 0 HE3 MET A 126 -7.115 11.366 -3.048 1.00 15.04 H new ATOM 1804 N PHE A 127 -10.153 8.046 -3.206 1.00 2.21 N ATOM 1805 CA PHE A 127 -10.153 7.579 -4.587 1.00 10.24 C ATOM 1806 C PHE A 127 -11.477 6.904 -4.934 1.00 51.14 C ATOM 1807 O PHE A 127 -11.920 6.966 -6.080 1.00 14.34 O ATOM 1808 CB PHE A 127 -8.945 6.673 -4.833 1.00 22.30 C ATOM 1809 CG PHE A 127 -8.630 6.440 -6.300 1.00 0.41 C ATOM 1810 CD1 PHE A 127 -7.710 7.278 -6.960 1.00 13.12 C ATOM 1811 CD2 PHE A 127 -9.241 5.391 -7.011 1.00 33.32 C ATOM 1812 CE1 PHE A 127 -7.378 7.043 -8.305 1.00 64.24 C ATOM 1813 CE2 PHE A 127 -8.882 5.131 -8.342 1.00 64.02 C ATOM 1814 CZ PHE A 127 -7.945 5.953 -8.988 1.00 1.24 C ATOM 0 H PHE A 127 -9.560 7.500 -2.581 1.00 2.21 H new ATOM 0 HA PHE A 127 -10.060 8.434 -5.256 1.00 10.24 H new ATOM 0 HB2 PHE A 127 -8.072 7.112 -4.351 1.00 22.30 H new ATOM 0 HB3 PHE A 127 -9.123 5.710 -4.354 1.00 22.30 H new ATOM 0 HD1 PHE A 127 -7.258 8.104 -6.431 1.00 13.12 H new ATOM 0 HD2 PHE A 127 -9.991 4.782 -6.529 1.00 33.32 H new ATOM 0 HE1 PHE A 127 -6.688 7.699 -8.814 1.00 64.24 H new ATOM 0 HE2 PHE A 127 -9.326 4.299 -8.869 1.00 64.02 H new ATOM 0 HZ PHE A 127 -7.660 5.748 -10.009 1.00 1.24 H new ATOM 1824 N ALA A 128 -12.134 6.257 -3.970 1.00 43.43 N ATOM 1825 CA ALA A 128 -13.408 5.604 -4.207 1.00 61.11 C ATOM 1826 C ALA A 128 -14.503 6.653 -4.415 1.00 35.30 C ATOM 1827 O ALA A 128 -15.313 6.504 -5.335 1.00 3.54 O ATOM 1828 CB ALA A 128 -13.738 4.679 -3.044 1.00 11.54 C ATOM 0 H ALA A 128 -11.795 6.175 -3.011 1.00 43.43 H new ATOM 0 HA ALA A 128 -13.346 5.000 -5.112 1.00 61.11 H new ATOM 0 HB1 ALA A 128 -14.695 4.191 -3.227 1.00 11.54 H new ATOM 0 HB2 ALA A 128 -12.958 3.923 -2.948 1.00 11.54 H new ATOM 0 HB3 ALA A 128 -13.797 5.259 -2.123 1.00 11.54 H new ATOM 1834 N GLN A 129 -14.537 7.708 -3.594 1.00 42.53 N ATOM 1835 CA GLN A 129 -15.535 8.773 -3.719 1.00 5.43 C ATOM 1836 C GLN A 129 -15.236 9.697 -4.905 1.00 21.04 C ATOM 1837 O GLN A 129 -16.156 10.248 -5.511 1.00 5.23 O ATOM 1838 CB GLN A 129 -15.648 9.563 -2.404 1.00 72.33 C ATOM 1839 CG GLN A 129 -14.426 10.408 -2.021 1.00 60.11 C ATOM 1840 CD GLN A 129 -14.550 11.043 -0.634 1.00 21.55 C ATOM 1841 OE1 GLN A 129 -14.703 10.367 0.380 1.00 62.43 O ATOM 1842 NE2 GLN A 129 -14.491 12.359 -0.521 1.00 24.43 N ATOM 0 H GLN A 129 -13.877 7.847 -2.829 1.00 42.53 H new ATOM 0 HA GLN A 129 -16.499 8.305 -3.919 1.00 5.43 H new ATOM 0 HB2 GLN A 129 -16.514 10.222 -2.472 1.00 72.33 H new ATOM 0 HB3 GLN A 129 -15.846 8.859 -1.596 1.00 72.33 H new ATOM 0 HG2 GLN A 129 -13.534 9.782 -2.050 1.00 60.11 H new ATOM 0 HG3 GLN A 129 -14.287 11.194 -2.763 1.00 60.11 H new ATOM 0 HE21 GLN A 129 -14.364 12.937 -1.352 1.00 24.43 H new ATOM 0 HE22 GLN A 129 -14.572 12.796 0.397 1.00 24.43 H new