USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=33 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 30 MET CE :methyl -176:sc= -1.42 (180deg=-1.43) USER MOD Set 1.2: A 96 SER OG : rot -120:sc= 0.0897 USER MOD Set 2.1: A 50 GLN : amide:sc= 0.129 K(o=-0.0009,f=-0.88) USER MOD Set 2.2: A 53 GLN : amide:sc= -0.13 K(o=-0.0009,f=-0.7) USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0.543 USER MOD Set 3.2: A 37 GLN : amide:sc= 1.08 K(o=1.6,f=-5.4!) USER MOD Set 4.1: A 21 ASN : amide:sc= 0 X(o=-0.52,f=-0.71) USER MOD Set 4.2: A 25 GLN : amide:sc= -0.516 K(o=-0.52,f=-3.2!) USER MOD Set 5.1: A 11 THR OG1 : rot -101:sc= 0.929 USER MOD Set 5.2: A 61 THR OG1 : rot 34:sc= 1.04 USER MOD Single : A 8 THR OG1 : rot 34:sc= 0.497 USER MOD Single : A 12 ASN : amide:sc= 0.0795 X(o=0.08,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0142 K(o=-0.014,f=-0.56) USER MOD Single : A 22 SER OG : rot -13:sc= 1.09 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 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -48:sc= 1.28 USER MOD Single : A 43 THR OG1 : rot 86:sc= 0.012 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 78:sc= 0.45 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : A 62 SER OG : rot 180:sc= -0.331 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.29) USER MOD Single : A 71 MET CE :methyl -172:sc= 0 (180deg=-0.106) USER MOD Single : A 75 SER OG : rot 72:sc= 0.243 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 71:sc= 0.829 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 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+ 171:sc= 1.7 (180deg=1.59) USER MOD Single : A 94 THR OG1 : rot -8:sc= 0.184 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 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 107 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.21) USER MOD Single : A 108 THR OG1 : rot -76:sc= 0.788 USER MOD Single : A 109 THR OG1 : rot 170:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot -32:sc= 1.27 USER MOD Single : A 122 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.54) USER MOD Single : A 125 SER OG : rot 28:sc= 0.0677 USER MOD Single : A 126 MET CE :methyl -127:sc= 0 (180deg=-0.0577) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 13.847 2.496 4.831 1.00 14.11 N ATOM 83 CA THR A 8 12.471 2.432 4.376 1.00 22.00 C ATOM 84 C THR A 8 12.300 1.100 3.629 1.00 44.45 C ATOM 85 O THR A 8 13.208 0.723 2.873 1.00 52.00 O ATOM 86 CB THR A 8 12.193 3.645 3.466 1.00 63.52 C ATOM 87 OG1 THR A 8 12.908 4.786 3.913 1.00 74.20 O ATOM 88 CG2 THR A 8 10.719 4.028 3.381 1.00 15.02 C ATOM 0 HA THR A 8 11.760 2.471 5.201 1.00 22.00 H new ATOM 0 HB THR A 8 12.522 3.332 2.475 1.00 63.52 H new ATOM 0 HG1 THR A 8 13.766 4.506 4.294 1.00 74.20 H new ATOM 0 HG21 THR A 8 10.604 4.889 2.723 1.00 15.02 H new ATOM 0 HG22 THR A 8 10.147 3.189 2.984 1.00 15.02 H new ATOM 0 HG23 THR A 8 10.351 4.280 4.375 1.00 15.02 H new ATOM 96 N PRO A 9 11.162 0.400 3.772 1.00 61.51 N ATOM 97 CA PRO A 9 10.943 -0.865 3.076 1.00 72.41 C ATOM 98 C PRO A 9 10.950 -0.624 1.562 1.00 42.31 C ATOM 99 O PRO A 9 11.566 -1.360 0.797 1.00 14.25 O ATOM 100 CB PRO A 9 9.589 -1.383 3.588 1.00 41.11 C ATOM 101 CG PRO A 9 8.877 -0.151 4.135 1.00 25.11 C ATOM 102 CD PRO A 9 10.024 0.733 4.617 1.00 62.03 C ATOM 0 HA PRO A 9 11.723 -1.602 3.267 1.00 72.41 H new ATOM 0 HB2 PRO A 9 9.015 -1.847 2.786 1.00 41.11 H new ATOM 0 HB3 PRO A 9 9.723 -2.138 4.363 1.00 41.11 H new ATOM 0 HG2 PRO A 9 8.283 0.344 3.367 1.00 25.11 H new ATOM 0 HG3 PRO A 9 8.198 -0.407 4.948 1.00 25.11 H new ATOM 0 HD2 PRO A 9 9.768 1.789 4.530 1.00 62.03 H new ATOM 0 HD3 PRO A 9 10.248 0.545 5.667 1.00 62.03 H new ATOM 110 N TRP A 10 10.330 0.479 1.145 1.00 2.22 N ATOM 111 CA TRP A 10 10.175 0.952 -0.218 1.00 2.00 C ATOM 112 C TRP A 10 11.502 1.368 -0.868 1.00 1.31 C ATOM 113 O TRP A 10 11.537 1.666 -2.058 1.00 4.30 O ATOM 114 CB TRP A 10 9.173 2.111 -0.165 1.00 11.51 C ATOM 115 CG TRP A 10 7.843 1.789 0.456 1.00 53.34 C ATOM 116 CD1 TRP A 10 7.332 2.339 1.584 1.00 73.32 C ATOM 117 CD2 TRP A 10 6.843 0.825 0.000 1.00 30.10 C ATOM 118 NE1 TRP A 10 6.059 1.847 1.798 1.00 74.22 N ATOM 119 CE2 TRP A 10 5.690 0.942 0.826 1.00 15.34 C ATOM 120 CE3 TRP A 10 6.793 -0.137 -1.031 1.00 31.23 C ATOM 121 CZ2 TRP A 10 4.517 0.214 0.582 1.00 12.25 C ATOM 122 CZ3 TRP A 10 5.632 -0.891 -1.277 1.00 74.14 C ATOM 123 CH2 TRP A 10 4.489 -0.701 -0.483 1.00 73.42 C ATOM 0 H TRP A 10 9.889 1.113 1.812 1.00 2.22 H new ATOM 0 HA TRP A 10 9.809 0.144 -0.852 1.00 2.00 H new ATOM 0 HB2 TRP A 10 9.624 2.933 0.391 1.00 11.51 H new ATOM 0 HB3 TRP A 10 9.003 2.468 -1.181 1.00 11.51 H new ATOM 0 HD1 TRP A 10 7.841 3.051 2.217 1.00 73.32 H new ATOM 0 HE1 TRP A 10 5.464 2.120 2.580 1.00 74.22 H new ATOM 0 HE3 TRP A 10 7.667 -0.298 -1.645 1.00 31.23 H new ATOM 0 HZ2 TRP A 10 3.646 0.355 1.205 1.00 12.25 H new ATOM 0 HZ3 TRP A 10 5.619 -1.617 -2.077 1.00 74.14 H new ATOM 0 HH2 TRP A 10 3.588 -1.259 -0.692 1.00 73.42 H new ATOM 134 N THR A 11 12.589 1.421 -0.099 1.00 2.21 N ATOM 135 CA THR A 11 13.919 1.775 -0.594 1.00 3.01 C ATOM 136 C THR A 11 14.727 0.497 -0.899 1.00 33.20 C ATOM 137 O THR A 11 15.852 0.591 -1.398 1.00 11.22 O ATOM 138 CB THR A 11 14.581 2.745 0.416 1.00 44.05 C ATOM 139 OG1 THR A 11 13.888 3.983 0.355 1.00 24.13 O ATOM 140 CG2 THR A 11 16.063 3.060 0.186 1.00 63.31 C ATOM 0 H THR A 11 12.570 1.216 0.900 1.00 2.21 H new ATOM 0 HA THR A 11 13.869 2.307 -1.544 1.00 3.01 H new ATOM 0 HB THR A 11 14.522 2.232 1.376 1.00 44.05 H new ATOM 0 HG1 THR A 11 14.406 4.622 -0.178 1.00 24.13 H new ATOM 0 HG21 THR A 11 16.412 3.748 0.956 1.00 63.31 H new ATOM 0 HG22 THR A 11 16.643 2.138 0.233 1.00 63.31 H new ATOM 0 HG23 THR A 11 16.190 3.518 -0.795 1.00 63.31 H new ATOM 148 N ASN A 12 14.178 -0.705 -0.656 1.00 54.42 N ATOM 149 CA ASN A 12 14.888 -1.956 -0.895 1.00 75.24 C ATOM 150 C ASN A 12 14.005 -2.950 -1.647 1.00 65.11 C ATOM 151 O ASN A 12 12.934 -3.281 -1.149 1.00 3.33 O ATOM 152 CB ASN A 12 15.325 -2.573 0.431 1.00 34.41 C ATOM 153 CG ASN A 12 16.283 -1.678 1.197 1.00 71.12 C ATOM 154 OD1 ASN A 12 17.488 -1.768 0.997 1.00 15.55 O ATOM 155 ND2 ASN A 12 15.804 -0.794 2.062 1.00 64.30 N ATOM 0 H ASN A 12 13.234 -0.828 -0.290 1.00 54.42 H new ATOM 0 HA ASN A 12 15.765 -1.734 -1.503 1.00 75.24 H new ATOM 0 HB2 ASN A 12 14.446 -2.769 1.045 1.00 34.41 H new ATOM 0 HB3 ASN A 12 15.803 -3.534 0.242 1.00 34.41 H new ATOM 0 HD21 ASN A 12 16.441 -0.180 2.569 1.00 64.30 H new ATOM 0 HD22 ASN A 12 14.798 -0.728 2.220 1.00 64.30 H new ATOM 162 N PRO A 13 14.435 -3.486 -2.800 1.00 72.35 N ATOM 163 CA PRO A 13 13.650 -4.435 -3.586 1.00 74.21 C ATOM 164 C PRO A 13 13.444 -5.771 -2.864 1.00 2.10 C ATOM 165 O PRO A 13 12.400 -6.396 -3.050 1.00 43.33 O ATOM 166 CB PRO A 13 14.411 -4.603 -4.908 1.00 31.14 C ATOM 167 CG PRO A 13 15.851 -4.283 -4.510 1.00 32.15 C ATOM 168 CD PRO A 13 15.679 -3.183 -3.475 1.00 5.40 C ATOM 0 HA PRO A 13 12.639 -4.062 -3.752 1.00 74.21 H new ATOM 0 HB2 PRO A 13 14.316 -5.614 -5.304 1.00 31.14 H new ATOM 0 HB3 PRO A 13 14.043 -3.923 -5.676 1.00 31.14 H new ATOM 0 HG2 PRO A 13 16.358 -5.153 -4.094 1.00 32.15 H new ATOM 0 HG3 PRO A 13 16.441 -3.947 -5.363 1.00 32.15 H new ATOM 0 HD2 PRO A 13 16.514 -3.168 -2.774 1.00 5.40 H new ATOM 0 HD3 PRO A 13 15.642 -2.201 -3.947 1.00 5.40 H new ATOM 176 N GLY A 14 14.409 -6.215 -2.051 1.00 22.24 N ATOM 177 CA GLY A 14 14.296 -7.465 -1.316 1.00 52.10 C ATOM 178 C GLY A 14 13.318 -7.295 -0.162 1.00 42.04 C ATOM 179 O GLY A 14 12.398 -8.092 -0.005 1.00 45.00 O ATOM 0 H GLY A 14 15.284 -5.716 -1.889 1.00 22.24 H new ATOM 0 HA2 GLY A 14 13.955 -8.259 -1.980 1.00 52.10 H new ATOM 0 HA3 GLY A 14 15.273 -7.764 -0.936 1.00 52.10 H new ATOM 183 N LEU A 15 13.485 -6.231 0.630 1.00 62.51 N ATOM 184 CA LEU A 15 12.605 -5.961 1.762 1.00 3.54 C ATOM 185 C LEU A 15 11.175 -5.744 1.256 1.00 11.44 C ATOM 186 O LEU A 15 10.236 -6.266 1.855 1.00 62.13 O ATOM 187 CB LEU A 15 13.140 -4.758 2.561 1.00 73.30 C ATOM 188 CG LEU A 15 12.696 -4.655 4.032 1.00 11.52 C ATOM 189 CD1 LEU A 15 11.190 -4.468 4.196 1.00 35.52 C ATOM 190 CD2 LEU A 15 13.137 -5.853 4.878 1.00 1.31 C ATOM 0 H LEU A 15 14.226 -5.542 0.504 1.00 62.51 H new ATOM 0 HA LEU A 15 12.585 -6.814 2.441 1.00 3.54 H new ATOM 0 HB2 LEU A 15 14.229 -4.789 2.535 1.00 73.30 H new ATOM 0 HB3 LEU A 15 12.835 -3.846 2.048 1.00 73.30 H new ATOM 0 HG LEU A 15 13.201 -3.760 4.396 1.00 11.52 H new ATOM 0 HD11 LEU A 15 10.945 -4.403 5.256 1.00 35.52 H new ATOM 0 HD12 LEU A 15 10.881 -3.551 3.695 1.00 35.52 H new ATOM 0 HD13 LEU A 15 10.668 -5.317 3.754 1.00 35.52 H new ATOM 0 HD21 LEU A 15 12.794 -5.720 5.904 1.00 1.31 H new ATOM 0 HD22 LEU A 15 12.707 -6.767 4.467 1.00 1.31 H new ATOM 0 HD23 LEU A 15 14.224 -5.926 4.866 1.00 1.31 H new ATOM 202 N ALA A 16 11.001 -5.025 0.137 1.00 3.35 N ATOM 203 CA ALA A 16 9.693 -4.762 -0.449 1.00 52.33 C ATOM 204 C ALA A 16 8.949 -6.066 -0.741 1.00 64.23 C ATOM 205 O ALA A 16 7.739 -6.111 -0.540 1.00 33.43 O ATOM 206 CB ALA A 16 9.825 -3.917 -1.716 1.00 53.34 C ATOM 0 H ALA A 16 11.773 -4.610 -0.384 1.00 3.35 H new ATOM 0 HA ALA A 16 9.108 -4.197 0.277 1.00 52.33 H new ATOM 0 HB1 ALA A 16 8.836 -3.734 -2.136 1.00 53.34 H new ATOM 0 HB2 ALA A 16 10.298 -2.966 -1.471 1.00 53.34 H new ATOM 0 HB3 ALA A 16 10.436 -4.448 -2.446 1.00 53.34 H new ATOM 212 N GLU A 17 9.653 -7.117 -1.178 1.00 34.54 N ATOM 213 CA GLU A 17 9.062 -8.419 -1.466 1.00 75.25 C ATOM 214 C GLU A 17 8.323 -8.929 -0.229 1.00 65.13 C ATOM 215 O GLU A 17 7.146 -9.290 -0.310 1.00 42.25 O ATOM 216 CB GLU A 17 10.163 -9.423 -1.835 1.00 63.21 C ATOM 217 CG GLU A 17 9.611 -10.725 -2.419 1.00 75.21 C ATOM 218 CD GLU A 17 10.701 -11.794 -2.458 1.00 10.12 C ATOM 219 OE1 GLU A 17 11.650 -11.700 -3.265 1.00 74.23 O ATOM 220 OE2 GLU A 17 10.628 -12.765 -1.671 1.00 74.20 O ATOM 0 H GLU A 17 10.659 -7.082 -1.342 1.00 34.54 H new ATOM 0 HA GLU A 17 8.367 -8.316 -2.299 1.00 75.25 H new ATOM 0 HB2 GLU A 17 10.838 -8.964 -2.557 1.00 63.21 H new ATOM 0 HB3 GLU A 17 10.753 -9.650 -0.947 1.00 63.21 H new ATOM 0 HG2 GLU A 17 8.772 -11.074 -1.818 1.00 75.21 H new ATOM 0 HG3 GLU A 17 9.230 -10.548 -3.425 1.00 75.21 H new ATOM 227 N ASN A 18 9.033 -8.959 0.906 1.00 23.10 N ATOM 228 CA ASN A 18 8.496 -9.421 2.175 1.00 33.03 C ATOM 229 C ASN A 18 7.419 -8.455 2.669 1.00 71.00 C ATOM 230 O ASN A 18 6.401 -8.903 3.188 1.00 34.21 O ATOM 231 CB ASN A 18 9.611 -9.618 3.214 1.00 4.15 C ATOM 232 CG ASN A 18 9.139 -10.393 4.447 1.00 74.40 C ATOM 233 OD1 ASN A 18 7.972 -10.755 4.586 1.00 24.43 O ATOM 234 ND2 ASN A 18 10.011 -10.659 5.399 1.00 1.11 N ATOM 0 H ASN A 18 10.006 -8.658 0.961 1.00 23.10 H new ATOM 0 HA ASN A 18 8.032 -10.396 2.025 1.00 33.03 H new ATOM 0 HB2 ASN A 18 10.443 -10.150 2.752 1.00 4.15 H new ATOM 0 HB3 ASN A 18 9.989 -8.644 3.525 1.00 4.15 H new ATOM 0 HD21 ASN A 18 9.714 -11.159 6.237 1.00 1.11 H new ATOM 0 HD22 ASN A 18 10.982 -10.365 5.298 1.00 1.11 H new ATOM 241 N PHE A 19 7.589 -7.138 2.493 1.00 53.25 N ATOM 242 CA PHE A 19 6.587 -6.165 2.925 1.00 42.20 C ATOM 243 C PHE A 19 5.259 -6.487 2.246 1.00 42.12 C ATOM 244 O PHE A 19 4.246 -6.711 2.912 1.00 51.22 O ATOM 245 CB PHE A 19 6.989 -4.713 2.597 1.00 33.51 C ATOM 246 CG PHE A 19 5.884 -3.753 3.001 1.00 41.12 C ATOM 247 CD1 PHE A 19 5.015 -3.239 2.020 1.00 62.54 C ATOM 248 CD2 PHE A 19 5.619 -3.503 4.362 1.00 20.24 C ATOM 249 CE1 PHE A 19 3.860 -2.538 2.401 1.00 2.20 C ATOM 250 CE2 PHE A 19 4.474 -2.780 4.739 1.00 20.34 C ATOM 251 CZ PHE A 19 3.578 -2.324 3.759 1.00 70.31 C ATOM 0 H PHE A 19 8.412 -6.726 2.054 1.00 53.25 H new ATOM 0 HA PHE A 19 6.501 -6.239 4.009 1.00 42.20 H new ATOM 0 HB2 PHE A 19 7.911 -4.457 3.120 1.00 33.51 H new ATOM 0 HB3 PHE A 19 7.191 -4.617 1.530 1.00 33.51 H new ATOM 0 HD1 PHE A 19 5.237 -3.384 0.973 1.00 62.54 H new ATOM 0 HD2 PHE A 19 6.298 -3.868 5.118 1.00 20.24 H new ATOM 0 HE1 PHE A 19 3.186 -2.162 1.646 1.00 2.20 H new ATOM 0 HE2 PHE A 19 4.284 -2.575 5.782 1.00 20.34 H new ATOM 0 HZ PHE A 19 2.674 -1.810 4.050 1.00 70.31 H new ATOM 261 N LEU A 20 5.282 -6.541 0.916 1.00 73.14 N ATOM 262 CA LEU A 20 4.120 -6.827 0.098 1.00 72.45 C ATOM 263 C LEU A 20 3.567 -8.197 0.477 1.00 73.33 C ATOM 264 O LEU A 20 2.366 -8.308 0.698 1.00 44.22 O ATOM 265 CB LEU A 20 4.496 -6.705 -1.385 1.00 31.21 C ATOM 266 CG LEU A 20 4.813 -5.247 -1.788 1.00 61.12 C ATOM 267 CD1 LEU A 20 5.635 -5.213 -3.074 1.00 4.51 C ATOM 268 CD2 LEU A 20 3.543 -4.406 -1.964 1.00 72.53 C ATOM 0 H LEU A 20 6.130 -6.383 0.372 1.00 73.14 H new ATOM 0 HA LEU A 20 3.324 -6.104 0.277 1.00 72.45 H new ATOM 0 HB2 LEU A 20 5.362 -7.334 -1.592 1.00 31.21 H new ATOM 0 HB3 LEU A 20 3.676 -7.080 -1.998 1.00 31.21 H new ATOM 0 HG LEU A 20 5.392 -4.811 -0.974 1.00 61.12 H new ATOM 0 HD11 LEU A 20 5.849 -4.178 -3.342 1.00 4.51 H new ATOM 0 HD12 LEU A 20 6.572 -5.749 -2.921 1.00 4.51 H new ATOM 0 HD13 LEU A 20 5.072 -5.687 -3.878 1.00 4.51 H new ATOM 0 HD21 LEU A 20 3.816 -3.389 -2.247 1.00 72.53 H new ATOM 0 HD22 LEU A 20 2.921 -4.845 -2.744 1.00 72.53 H new ATOM 0 HD23 LEU A 20 2.988 -4.385 -1.026 1.00 72.53 H new ATOM 280 N ASN A 21 4.410 -9.227 0.617 1.00 15.41 N ATOM 281 CA ASN A 21 3.954 -10.562 1.002 1.00 75.22 C ATOM 282 C ASN A 21 3.197 -10.496 2.331 1.00 22.13 C ATOM 283 O ASN A 21 2.054 -10.938 2.399 1.00 54.15 O ATOM 284 CB ASN A 21 5.137 -11.535 1.109 1.00 41.41 C ATOM 285 CG ASN A 21 4.763 -12.785 1.898 1.00 51.15 C ATOM 286 OD1 ASN A 21 5.038 -12.868 3.088 1.00 2.22 O ATOM 287 ND2 ASN A 21 4.121 -13.762 1.283 1.00 20.14 N ATOM 0 H ASN A 21 5.417 -9.157 0.468 1.00 15.41 H new ATOM 0 HA ASN A 21 3.280 -10.931 0.229 1.00 75.22 H new ATOM 0 HB2 ASN A 21 5.467 -11.819 0.110 1.00 41.41 H new ATOM 0 HB3 ASN A 21 5.977 -11.036 1.592 1.00 41.41 H new ATOM 0 HD21 ASN A 21 3.848 -14.598 1.800 1.00 20.14 H new ATOM 0 HD22 ASN A 21 3.898 -13.680 0.291 1.00 20.14 H new ATOM 294 N SER A 22 3.786 -9.890 3.363 1.00 13.53 N ATOM 295 CA SER A 22 3.174 -9.772 4.679 1.00 54.30 C ATOM 296 C SER A 22 1.842 -9.013 4.636 1.00 64.23 C ATOM 297 O SER A 22 0.925 -9.327 5.399 1.00 34.24 O ATOM 298 CB SER A 22 4.198 -9.217 5.670 1.00 43.30 C ATOM 299 OG SER A 22 4.652 -7.914 5.355 1.00 35.23 O ATOM 0 H SER A 22 4.711 -9.464 3.304 1.00 13.53 H new ATOM 0 HA SER A 22 2.892 -10.761 5.040 1.00 54.30 H new ATOM 0 HB2 SER A 22 3.756 -9.206 6.666 1.00 43.30 H new ATOM 0 HB3 SER A 22 5.054 -9.890 5.708 1.00 43.30 H new ATOM 0 HG SER A 22 4.384 -7.687 4.440 1.00 35.23 H new ATOM 305 N PHE A 23 1.719 -8.022 3.751 1.00 34.11 N ATOM 306 CA PHE A 23 0.499 -7.252 3.582 1.00 1.34 C ATOM 307 C PHE A 23 -0.560 -8.171 2.976 1.00 72.14 C ATOM 308 O PHE A 23 -1.664 -8.271 3.509 1.00 62.32 O ATOM 309 CB PHE A 23 0.791 -6.025 2.704 1.00 0.35 C ATOM 310 CG PHE A 23 -0.435 -5.314 2.171 1.00 31.21 C ATOM 311 CD1 PHE A 23 -0.913 -5.611 0.880 1.00 64.51 C ATOM 312 CD2 PHE A 23 -1.095 -4.353 2.957 1.00 65.42 C ATOM 313 CE1 PHE A 23 -2.024 -4.925 0.361 1.00 51.24 C ATOM 314 CE2 PHE A 23 -2.206 -3.668 2.438 1.00 64.43 C ATOM 315 CZ PHE A 23 -2.663 -3.942 1.135 1.00 2.43 C ATOM 0 H PHE A 23 2.474 -7.734 3.129 1.00 34.11 H new ATOM 0 HA PHE A 23 0.123 -6.879 4.535 1.00 1.34 H new ATOM 0 HB2 PHE A 23 1.382 -5.315 3.283 1.00 0.35 H new ATOM 0 HB3 PHE A 23 1.406 -6.338 1.861 1.00 0.35 H new ATOM 0 HD1 PHE A 23 -0.424 -6.369 0.287 1.00 64.51 H new ATOM 0 HD2 PHE A 23 -0.748 -4.142 3.958 1.00 65.42 H new ATOM 0 HE1 PHE A 23 -2.386 -5.153 -0.631 1.00 51.24 H new ATOM 0 HE2 PHE A 23 -2.712 -2.928 3.041 1.00 64.43 H new ATOM 0 HZ PHE A 23 -3.504 -3.397 0.731 1.00 2.43 H new ATOM 325 N LEU A 24 -0.220 -8.854 1.880 1.00 31.43 N ATOM 326 CA LEU A 24 -1.094 -9.774 1.158 1.00 10.23 C ATOM 327 C LEU A 24 -1.562 -10.915 2.064 1.00 32.34 C ATOM 328 O LEU A 24 -2.727 -11.313 1.978 1.00 22.40 O ATOM 329 CB LEU A 24 -0.374 -10.323 -0.088 1.00 14.42 C ATOM 330 CG LEU A 24 -0.023 -9.256 -1.146 1.00 14.12 C ATOM 331 CD1 LEU A 24 1.033 -9.787 -2.121 1.00 12.14 C ATOM 332 CD2 LEU A 24 -1.248 -8.775 -1.919 1.00 42.41 C ATOM 0 H LEU A 24 0.705 -8.777 1.458 1.00 31.43 H new ATOM 0 HA LEU A 24 -1.979 -9.225 0.835 1.00 10.23 H new ATOM 0 HB2 LEU A 24 0.544 -10.819 0.227 1.00 14.42 H new ATOM 0 HB3 LEU A 24 -1.004 -11.082 -0.551 1.00 14.42 H new ATOM 0 HG LEU A 24 0.381 -8.400 -0.605 1.00 14.12 H new ATOM 0 HD11 LEU A 24 1.266 -9.019 -2.859 1.00 12.14 H new ATOM 0 HD12 LEU A 24 1.937 -10.048 -1.571 1.00 12.14 H new ATOM 0 HD13 LEU A 24 0.648 -10.672 -2.628 1.00 12.14 H new ATOM 0 HD21 LEU A 24 -0.946 -8.025 -2.650 1.00 42.41 H new ATOM 0 HD22 LEU A 24 -1.708 -9.619 -2.433 1.00 42.41 H new ATOM 0 HD23 LEU A 24 -1.966 -8.337 -1.226 1.00 42.41 H new ATOM 344 N GLN A 25 -0.691 -11.437 2.936 1.00 72.21 N ATOM 345 CA GLN A 25 -1.027 -12.515 3.863 1.00 41.10 C ATOM 346 C GLN A 25 -2.160 -12.054 4.780 1.00 62.21 C ATOM 347 O GLN A 25 -3.185 -12.727 4.869 1.00 70.42 O ATOM 348 CB GLN A 25 0.182 -12.873 4.746 1.00 73.41 C ATOM 349 CG GLN A 25 1.282 -13.715 4.081 1.00 1.34 C ATOM 350 CD GLN A 25 2.491 -13.859 5.012 1.00 22.30 C ATOM 351 OE1 GLN A 25 2.816 -12.967 5.791 1.00 14.12 O ATOM 352 NE2 GLN A 25 3.180 -14.982 4.997 1.00 31.24 N ATOM 0 H GLN A 25 0.274 -11.117 3.016 1.00 72.21 H new ATOM 0 HA GLN A 25 -1.323 -13.387 3.280 1.00 41.10 H new ATOM 0 HB2 GLN A 25 0.630 -11.947 5.106 1.00 73.41 H new ATOM 0 HB3 GLN A 25 -0.181 -13.412 5.621 1.00 73.41 H new ATOM 0 HG2 GLN A 25 0.891 -14.701 3.830 1.00 1.34 H new ATOM 0 HG3 GLN A 25 1.590 -13.247 3.146 1.00 1.34 H new ATOM 0 HE21 GLN A 25 2.921 -15.731 4.355 1.00 31.24 H new ATOM 0 HE22 GLN A 25 3.973 -15.102 5.628 1.00 31.24 H new ATOM 361 N GLY A 26 -2.005 -10.883 5.407 1.00 52.21 N ATOM 362 CA GLY A 26 -3.009 -10.363 6.318 1.00 2.11 C ATOM 363 C GLY A 26 -4.314 -10.014 5.612 1.00 31.34 C ATOM 364 O GLY A 26 -5.388 -10.467 6.022 1.00 22.13 O ATOM 0 H GLY A 26 -1.189 -10.282 5.294 1.00 52.21 H new ATOM 0 HA2 GLY A 26 -3.207 -11.101 7.095 1.00 2.11 H new ATOM 0 HA3 GLY A 26 -2.619 -9.474 6.814 1.00 2.11 H new ATOM 368 N LEU A 27 -4.212 -9.258 4.515 1.00 40.40 N ATOM 369 CA LEU A 27 -5.337 -8.797 3.708 1.00 12.51 C ATOM 370 C LEU A 27 -6.207 -9.971 3.222 1.00 14.11 C ATOM 371 O LEU A 27 -7.430 -9.867 3.251 1.00 53.50 O ATOM 372 CB LEU A 27 -4.805 -7.939 2.535 1.00 63.11 C ATOM 373 CG LEU A 27 -5.693 -6.815 1.959 1.00 44.35 C ATOM 374 CD1 LEU A 27 -7.182 -7.106 2.002 1.00 62.34 C ATOM 375 CD2 LEU A 27 -5.505 -5.479 2.678 1.00 51.34 C ATOM 0 H LEU A 27 -3.312 -8.941 4.155 1.00 40.40 H new ATOM 0 HA LEU A 27 -5.988 -8.177 4.324 1.00 12.51 H new ATOM 0 HB2 LEU A 27 -3.869 -7.484 2.860 1.00 63.11 H new ATOM 0 HB3 LEU A 27 -4.562 -8.617 1.717 1.00 63.11 H new ATOM 0 HG LEU A 27 -5.357 -6.761 0.924 1.00 44.35 H new ATOM 0 HD11 LEU A 27 -7.730 -6.264 1.578 1.00 62.34 H new ATOM 0 HD12 LEU A 27 -7.394 -8.005 1.424 1.00 62.34 H new ATOM 0 HD13 LEU A 27 -7.493 -7.258 3.035 1.00 62.34 H new ATOM 0 HD21 LEU A 27 -6.156 -4.729 2.228 1.00 51.34 H new ATOM 0 HD22 LEU A 27 -5.758 -5.594 3.732 1.00 51.34 H new ATOM 0 HD23 LEU A 27 -4.467 -5.160 2.587 1.00 51.34 H new ATOM 387 N SER A 28 -5.614 -11.102 2.838 1.00 52.51 N ATOM 388 CA SER A 28 -6.326 -12.279 2.341 1.00 15.00 C ATOM 389 C SER A 28 -7.438 -12.797 3.260 1.00 24.02 C ATOM 390 O SER A 28 -8.470 -13.272 2.774 1.00 44.41 O ATOM 391 CB SER A 28 -5.286 -13.374 2.102 1.00 63.24 C ATOM 392 OG SER A 28 -5.870 -14.573 1.643 1.00 45.33 O ATOM 0 H SER A 28 -4.602 -11.228 2.865 1.00 52.51 H new ATOM 0 HA SER A 28 -6.842 -11.988 1.426 1.00 15.00 H new ATOM 0 HB2 SER A 28 -4.555 -13.025 1.372 1.00 63.24 H new ATOM 0 HB3 SER A 28 -4.745 -13.567 3.028 1.00 63.24 H new ATOM 0 HG SER A 28 -5.170 -15.245 1.502 1.00 45.33 H new ATOM 398 N SER A 29 -7.263 -12.720 4.580 1.00 44.12 N ATOM 399 CA SER A 29 -8.256 -13.211 5.534 1.00 53.23 C ATOM 400 C SER A 29 -9.138 -12.099 6.120 1.00 3.33 C ATOM 401 O SER A 29 -10.123 -12.384 6.805 1.00 53.43 O ATOM 402 CB SER A 29 -7.519 -14.056 6.575 1.00 41.11 C ATOM 403 OG SER A 29 -6.744 -15.059 5.929 1.00 51.52 O ATOM 0 H SER A 29 -6.433 -12.318 5.015 1.00 44.12 H new ATOM 0 HA SER A 29 -8.985 -13.842 5.025 1.00 53.23 H new ATOM 0 HB2 SER A 29 -6.873 -13.420 7.180 1.00 41.11 H new ATOM 0 HB3 SER A 29 -8.236 -14.519 7.253 1.00 41.11 H new ATOM 0 HG SER A 29 -6.274 -15.594 6.603 1.00 51.52 H new ATOM 409 N MET A 30 -8.806 -10.839 5.845 1.00 23.24 N ATOM 410 CA MET A 30 -9.530 -9.660 6.303 1.00 41.43 C ATOM 411 C MET A 30 -10.855 -9.505 5.525 1.00 12.13 C ATOM 412 O MET A 30 -11.037 -10.136 4.476 1.00 31.44 O ATOM 413 CB MET A 30 -8.569 -8.468 6.147 1.00 43.02 C ATOM 414 CG MET A 30 -7.567 -8.434 7.297 1.00 12.35 C ATOM 415 SD MET A 30 -8.273 -7.834 8.851 1.00 4.01 S ATOM 416 CE MET A 30 -8.291 -6.071 8.477 1.00 70.23 C ATOM 0 H MET A 30 -7.993 -10.605 5.275 1.00 23.24 H new ATOM 0 HA MET A 30 -9.829 -9.735 7.348 1.00 41.43 H new ATOM 0 HB2 MET A 30 -8.039 -8.543 5.197 1.00 43.02 H new ATOM 0 HB3 MET A 30 -9.136 -7.537 6.123 1.00 43.02 H new ATOM 0 HG2 MET A 30 -7.169 -9.437 7.451 1.00 12.35 H new ATOM 0 HG3 MET A 30 -6.728 -7.797 7.018 1.00 12.35 H new ATOM 0 HE1 MET A 30 -8.632 -5.517 9.352 1.00 70.23 H new ATOM 0 HE2 MET A 30 -7.286 -5.745 8.210 1.00 70.23 H new ATOM 0 HE3 MET A 30 -8.967 -5.883 7.643 1.00 70.23 H new ATOM 426 N PRO A 31 -11.785 -8.636 5.960 1.00 33.52 N ATOM 427 CA PRO A 31 -13.081 -8.431 5.304 1.00 54.41 C ATOM 428 C PRO A 31 -13.109 -7.508 4.076 1.00 53.00 C ATOM 429 O PRO A 31 -14.156 -7.407 3.431 1.00 13.13 O ATOM 430 CB PRO A 31 -13.955 -7.843 6.416 1.00 11.42 C ATOM 431 CG PRO A 31 -12.967 -6.997 7.214 1.00 53.11 C ATOM 432 CD PRO A 31 -11.709 -7.850 7.184 1.00 74.24 C ATOM 0 HA PRO A 31 -13.412 -9.381 4.884 1.00 54.41 H new ATOM 0 HB2 PRO A 31 -14.770 -7.241 6.014 1.00 11.42 H new ATOM 0 HB3 PRO A 31 -14.407 -8.622 7.029 1.00 11.42 H new ATOM 0 HG2 PRO A 31 -12.807 -6.020 6.757 1.00 53.11 H new ATOM 0 HG3 PRO A 31 -13.314 -6.820 8.232 1.00 53.11 H new ATOM 0 HD2 PRO A 31 -10.815 -7.227 7.192 1.00 74.24 H new ATOM 0 HD3 PRO A 31 -11.655 -8.496 8.060 1.00 74.24 H new ATOM 440 N GLY A 32 -12.022 -6.816 3.748 1.00 42.22 N ATOM 441 CA GLY A 32 -11.933 -5.897 2.623 1.00 50.12 C ATOM 442 C GLY A 32 -11.868 -6.580 1.263 1.00 72.22 C ATOM 443 O GLY A 32 -12.860 -6.567 0.535 1.00 44.44 O ATOM 0 H GLY A 32 -11.152 -6.883 4.276 1.00 42.22 H new ATOM 0 HA2 GLY A 32 -12.796 -5.232 2.642 1.00 50.12 H new ATOM 0 HA3 GLY A 32 -11.048 -5.273 2.747 1.00 50.12 H new ATOM 447 N PHE A 33 -10.683 -7.045 0.861 1.00 70.43 N ATOM 448 CA PHE A 33 -10.452 -7.708 -0.415 1.00 53.44 C ATOM 449 C PHE A 33 -10.402 -9.200 -0.161 1.00 73.51 C ATOM 450 O PHE A 33 -9.518 -9.684 0.546 1.00 42.42 O ATOM 451 CB PHE A 33 -9.157 -7.211 -1.081 1.00 72.41 C ATOM 452 CG PHE A 33 -9.151 -5.727 -1.403 1.00 10.12 C ATOM 453 CD1 PHE A 33 -8.176 -4.864 -0.861 1.00 44.33 C ATOM 454 CD2 PHE A 33 -10.132 -5.205 -2.265 1.00 11.34 C ATOM 455 CE1 PHE A 33 -8.180 -3.500 -1.189 1.00 55.32 C ATOM 456 CE2 PHE A 33 -10.143 -3.837 -2.575 1.00 50.11 C ATOM 457 CZ PHE A 33 -9.164 -2.983 -2.047 1.00 42.41 C ATOM 0 H PHE A 33 -9.840 -6.967 1.431 1.00 70.43 H new ATOM 0 HA PHE A 33 -11.262 -7.474 -1.106 1.00 53.44 H new ATOM 0 HB2 PHE A 33 -8.316 -7.432 -0.424 1.00 72.41 H new ATOM 0 HB3 PHE A 33 -8.997 -7.772 -2.002 1.00 72.41 H new ATOM 0 HD1 PHE A 33 -7.424 -5.254 -0.191 1.00 44.33 H new ATOM 0 HD2 PHE A 33 -10.879 -5.859 -2.690 1.00 11.34 H new ATOM 0 HE1 PHE A 33 -7.424 -2.846 -0.780 1.00 55.32 H new ATOM 0 HE2 PHE A 33 -10.909 -3.439 -3.224 1.00 50.11 H new ATOM 0 HZ PHE A 33 -9.167 -1.933 -2.299 1.00 42.41 H new ATOM 467 N THR A 34 -11.400 -9.917 -0.658 1.00 35.25 N ATOM 468 CA THR A 34 -11.472 -11.356 -0.511 1.00 14.23 C ATOM 469 C THR A 34 -10.372 -11.979 -1.393 1.00 2.22 C ATOM 470 O THR A 34 -9.866 -11.342 -2.321 1.00 22.34 O ATOM 471 CB THR A 34 -12.931 -11.787 -0.741 1.00 32.10 C ATOM 472 OG1 THR A 34 -13.565 -11.001 -1.731 1.00 21.31 O ATOM 473 CG2 THR A 34 -13.727 -11.540 0.544 1.00 41.42 C ATOM 0 H THR A 34 -12.181 -9.513 -1.174 1.00 35.25 H new ATOM 0 HA THR A 34 -11.248 -11.731 0.488 1.00 14.23 H new ATOM 0 HB THR A 34 -12.910 -12.834 -1.044 1.00 32.10 H new ATOM 0 HG1 THR A 34 -14.489 -11.306 -1.849 1.00 21.31 H new ATOM 0 HG21 THR A 34 -14.764 -11.842 0.394 1.00 41.42 H new ATOM 0 HG22 THR A 34 -13.294 -12.122 1.358 1.00 41.42 H new ATOM 0 HG23 THR A 34 -13.691 -10.480 0.797 1.00 41.42 H new ATOM 481 N ALA A 35 -10.045 -13.252 -1.160 1.00 63.23 N ATOM 482 CA ALA A 35 -8.974 -13.987 -1.835 1.00 11.54 C ATOM 483 C ALA A 35 -8.897 -13.951 -3.367 1.00 22.52 C ATOM 484 O ALA A 35 -7.807 -14.193 -3.880 1.00 70.54 O ATOM 485 CB ALA A 35 -9.002 -15.431 -1.348 1.00 13.23 C ATOM 0 H ALA A 35 -10.537 -13.820 -0.470 1.00 63.23 H new ATOM 0 HA ALA A 35 -8.072 -13.443 -1.554 1.00 11.54 H new ATOM 0 HB1 ALA A 35 -8.210 -15.996 -1.840 1.00 13.23 H new ATOM 0 HB2 ALA A 35 -8.848 -15.454 -0.269 1.00 13.23 H new ATOM 0 HB3 ALA A 35 -9.968 -15.877 -1.586 1.00 13.23 H new ATOM 491 N SER A 36 -9.983 -13.749 -4.120 1.00 61.44 N ATOM 492 CA SER A 36 -9.851 -13.693 -5.580 1.00 31.42 C ATOM 493 C SER A 36 -9.116 -12.404 -5.971 1.00 34.23 C ATOM 494 O SER A 36 -8.153 -12.448 -6.723 1.00 11.45 O ATOM 495 CB SER A 36 -11.218 -13.841 -6.252 1.00 35.13 C ATOM 496 OG SER A 36 -11.102 -13.887 -7.658 1.00 53.24 O ATOM 0 H SER A 36 -10.930 -13.626 -3.761 1.00 61.44 H new ATOM 0 HA SER A 36 -9.252 -14.531 -5.938 1.00 31.42 H new ATOM 0 HB2 SER A 36 -11.703 -14.750 -5.896 1.00 35.13 H new ATOM 0 HB3 SER A 36 -11.857 -13.006 -5.966 1.00 35.13 H new ATOM 0 HG SER A 36 -11.992 -13.984 -8.057 1.00 53.24 H new ATOM 502 N GLN A 37 -9.502 -11.266 -5.396 1.00 45.54 N ATOM 503 CA GLN A 37 -8.900 -9.963 -5.655 1.00 12.12 C ATOM 504 C GLN A 37 -7.405 -9.989 -5.313 1.00 14.41 C ATOM 505 O GLN A 37 -6.613 -9.269 -5.921 1.00 43.11 O ATOM 506 CB GLN A 37 -9.649 -8.849 -4.906 1.00 22.11 C ATOM 507 CG GLN A 37 -11.126 -8.697 -5.322 1.00 32.31 C ATOM 508 CD GLN A 37 -12.065 -9.540 -4.458 1.00 64.53 C ATOM 509 OE1 GLN A 37 -12.070 -10.769 -4.514 1.00 62.25 O ATOM 510 NE2 GLN A 37 -12.880 -8.920 -3.621 1.00 63.15 N ATOM 0 H GLN A 37 -10.263 -11.226 -4.719 1.00 45.54 H new ATOM 0 HA GLN A 37 -8.989 -9.741 -6.718 1.00 12.12 H new ATOM 0 HB2 GLN A 37 -9.603 -9.050 -3.836 1.00 22.11 H new ATOM 0 HB3 GLN A 37 -9.135 -7.903 -5.075 1.00 22.11 H new ATOM 0 HG2 GLN A 37 -11.415 -7.648 -5.251 1.00 32.31 H new ATOM 0 HG3 GLN A 37 -11.238 -8.988 -6.366 1.00 32.31 H new ATOM 0 HE21 GLN A 37 -12.880 -7.901 -3.570 1.00 63.15 H new ATOM 0 HE22 GLN A 37 -13.508 -9.461 -3.026 1.00 63.15 H new ATOM 519 N LEU A 38 -7.009 -10.777 -4.304 1.00 21.23 N ATOM 520 CA LEU A 38 -5.612 -10.908 -3.906 1.00 12.05 C ATOM 521 C LEU A 38 -4.749 -11.454 -5.058 1.00 1.41 C ATOM 522 O LEU A 38 -3.541 -11.207 -5.070 1.00 61.44 O ATOM 523 CB LEU A 38 -5.458 -11.785 -2.653 1.00 42.50 C ATOM 524 CG LEU A 38 -5.587 -11.059 -1.303 1.00 63.02 C ATOM 525 CD1 LEU A 38 -4.471 -10.040 -1.089 1.00 52.14 C ATOM 526 CD2 LEU A 38 -6.925 -10.361 -1.083 1.00 44.51 C ATOM 0 H LEU A 38 -7.652 -11.338 -3.745 1.00 21.23 H new ATOM 0 HA LEU A 38 -5.256 -9.908 -3.659 1.00 12.05 H new ATOM 0 HB2 LEU A 38 -6.208 -12.575 -2.692 1.00 42.50 H new ATOM 0 HB3 LEU A 38 -4.483 -12.270 -2.691 1.00 42.50 H new ATOM 0 HG LEU A 38 -5.510 -11.864 -0.572 1.00 63.02 H new ATOM 0 HD11 LEU A 38 -4.604 -9.553 -0.123 1.00 52.14 H new ATOM 0 HD12 LEU A 38 -3.506 -10.547 -1.110 1.00 52.14 H new ATOM 0 HD13 LEU A 38 -4.505 -9.292 -1.881 1.00 52.14 H new ATOM 0 HD21 LEU A 38 -6.926 -9.876 -0.107 1.00 44.51 H new ATOM 0 HD22 LEU A 38 -7.077 -9.612 -1.860 1.00 44.51 H new ATOM 0 HD23 LEU A 38 -7.730 -11.095 -1.125 1.00 44.51 H new ATOM 538 N ASP A 39 -5.333 -12.179 -6.018 1.00 4.03 N ATOM 539 CA ASP A 39 -4.607 -12.721 -7.160 1.00 25.23 C ATOM 540 C ASP A 39 -4.201 -11.572 -8.080 1.00 0.13 C ATOM 541 O ASP A 39 -3.077 -11.561 -8.589 1.00 40.45 O ATOM 542 CB ASP A 39 -5.444 -13.756 -7.930 1.00 53.33 C ATOM 543 CG ASP A 39 -5.568 -15.108 -7.234 1.00 43.10 C ATOM 544 OD1 ASP A 39 -6.461 -15.900 -7.613 1.00 11.13 O ATOM 545 OD2 ASP A 39 -4.742 -15.443 -6.350 1.00 12.03 O ATOM 0 H ASP A 39 -6.328 -12.405 -6.020 1.00 4.03 H new ATOM 0 HA ASP A 39 -3.719 -13.237 -6.794 1.00 25.23 H new ATOM 0 HB2 ASP A 39 -6.443 -13.351 -8.091 1.00 53.33 H new ATOM 0 HB3 ASP A 39 -4.999 -13.907 -8.914 1.00 53.33 H new ATOM 550 N ASP A 40 -5.075 -10.582 -8.279 1.00 12.44 N ATOM 551 CA ASP A 40 -4.810 -9.410 -9.119 1.00 52.44 C ATOM 552 C ASP A 40 -3.708 -8.584 -8.471 1.00 22.22 C ATOM 553 O ASP A 40 -2.775 -8.123 -9.136 1.00 72.25 O ATOM 554 CB ASP A 40 -6.057 -8.523 -9.265 1.00 21.21 C ATOM 555 CG ASP A 40 -7.147 -9.222 -10.055 1.00 1.14 C ATOM 556 OD1 ASP A 40 -7.817 -10.109 -9.488 1.00 33.32 O ATOM 557 OD2 ASP A 40 -7.276 -8.952 -11.269 1.00 43.12 O ATOM 0 H ASP A 40 -6.002 -10.572 -7.854 1.00 12.44 H new ATOM 0 HA ASP A 40 -4.517 -9.761 -10.108 1.00 52.44 H new ATOM 0 HB2 ASP A 40 -6.435 -8.259 -8.277 1.00 21.21 H new ATOM 0 HB3 ASP A 40 -5.786 -7.592 -9.762 1.00 21.21 H new ATOM 562 N LEU A 41 -3.789 -8.471 -7.141 1.00 43.31 N ATOM 563 CA LEU A 41 -2.867 -7.742 -6.284 1.00 60.03 C ATOM 564 C LEU A 41 -1.429 -8.219 -6.494 1.00 12.24 C ATOM 565 O LEU A 41 -0.525 -7.394 -6.376 1.00 54.43 O ATOM 566 CB LEU A 41 -3.269 -7.945 -4.812 1.00 13.22 C ATOM 567 CG LEU A 41 -3.843 -6.755 -4.028 1.00 75.34 C ATOM 568 CD1 LEU A 41 -2.885 -5.566 -3.977 1.00 23.34 C ATOM 569 CD2 LEU A 41 -5.220 -6.314 -4.535 1.00 32.32 C ATOM 0 H LEU A 41 -4.542 -8.911 -6.612 1.00 43.31 H new ATOM 0 HA LEU A 41 -2.918 -6.684 -6.541 1.00 60.03 H new ATOM 0 HB2 LEU A 41 -4.006 -8.747 -4.779 1.00 13.22 H new ATOM 0 HB3 LEU A 41 -2.389 -8.299 -4.276 1.00 13.22 H new ATOM 0 HG LEU A 41 -3.972 -7.122 -3.010 1.00 75.34 H new ATOM 0 HD11 LEU A 41 -3.342 -4.754 -3.411 1.00 23.34 H new ATOM 0 HD12 LEU A 41 -1.956 -5.868 -3.493 1.00 23.34 H new ATOM 0 HD13 LEU A 41 -2.672 -5.226 -4.991 1.00 23.34 H new ATOM 0 HD21 LEU A 41 -5.573 -5.470 -3.942 1.00 32.32 H new ATOM 0 HD22 LEU A 41 -5.144 -6.016 -5.581 1.00 32.32 H new ATOM 0 HD23 LEU A 41 -5.924 -7.141 -4.443 1.00 32.32 H new ATOM 581 N SER A 42 -1.191 -9.493 -6.838 1.00 14.33 N ATOM 582 CA SER A 42 0.167 -9.992 -7.061 1.00 4.31 C ATOM 583 C SER A 42 0.880 -9.195 -8.170 1.00 60.14 C ATOM 584 O SER A 42 2.098 -9.007 -8.126 1.00 22.31 O ATOM 585 CB SER A 42 0.154 -11.504 -7.335 1.00 64.55 C ATOM 586 OG SER A 42 -0.491 -11.859 -8.546 1.00 24.33 O ATOM 0 H SER A 42 -1.922 -10.193 -6.967 1.00 14.33 H new ATOM 0 HA SER A 42 0.745 -9.838 -6.150 1.00 4.31 H new ATOM 0 HB2 SER A 42 1.181 -11.868 -7.361 1.00 64.55 H new ATOM 0 HB3 SER A 42 -0.343 -12.010 -6.507 1.00 64.55 H new ATOM 0 HG SER A 42 -1.358 -11.405 -8.600 1.00 24.33 H new ATOM 592 N THR A 43 0.125 -8.702 -9.157 1.00 1.23 N ATOM 593 CA THR A 43 0.632 -7.917 -10.273 1.00 21.34 C ATOM 594 C THR A 43 1.033 -6.527 -9.771 1.00 13.20 C ATOM 595 O THR A 43 2.093 -6.016 -10.143 1.00 53.21 O ATOM 596 CB THR A 43 -0.457 -7.811 -11.357 1.00 51.14 C ATOM 597 OG1 THR A 43 -1.056 -9.076 -11.591 1.00 3.53 O ATOM 598 CG2 THR A 43 0.119 -7.280 -12.672 1.00 72.05 C ATOM 0 H THR A 43 -0.884 -8.846 -9.197 1.00 1.23 H new ATOM 0 HA THR A 43 1.509 -8.400 -10.705 1.00 21.34 H new ATOM 0 HB THR A 43 -1.210 -7.112 -10.992 1.00 51.14 H new ATOM 0 HG1 THR A 43 -1.782 -9.218 -10.948 1.00 3.53 H new ATOM 0 HG21 THR A 43 -0.674 -7.217 -13.417 1.00 72.05 H new ATOM 0 HG22 THR A 43 0.544 -6.290 -12.509 1.00 72.05 H new ATOM 0 HG23 THR A 43 0.897 -7.955 -13.027 1.00 72.05 H new ATOM 606 N ILE A 44 0.175 -5.920 -8.943 1.00 4.41 N ATOM 607 CA ILE A 44 0.350 -4.600 -8.344 1.00 25.12 C ATOM 608 C ILE A 44 1.592 -4.650 -7.442 1.00 55.32 C ATOM 609 O ILE A 44 2.438 -3.759 -7.515 1.00 73.42 O ATOM 610 CB ILE A 44 -0.948 -4.181 -7.598 1.00 65.33 C ATOM 611 CG1 ILE A 44 -2.175 -4.235 -8.548 1.00 42.22 C ATOM 612 CG2 ILE A 44 -0.796 -2.771 -6.998 1.00 51.15 C ATOM 613 CD1 ILE A 44 -3.531 -3.946 -7.891 1.00 54.24 C ATOM 0 H ILE A 44 -0.701 -6.360 -8.662 1.00 4.41 H new ATOM 0 HA ILE A 44 0.518 -3.833 -9.100 1.00 25.12 H new ATOM 0 HB ILE A 44 -1.114 -4.888 -6.786 1.00 65.33 H new ATOM 0 HG12 ILE A 44 -2.021 -3.517 -9.354 1.00 42.22 H new ATOM 0 HG13 ILE A 44 -2.216 -5.224 -9.005 1.00 42.22 H new ATOM 0 HG21 ILE A 44 -1.714 -2.495 -6.480 1.00 51.15 H new ATOM 0 HG22 ILE A 44 0.035 -2.763 -6.293 1.00 51.15 H new ATOM 0 HG23 ILE A 44 -0.601 -2.055 -7.796 1.00 51.15 H new ATOM 0 HD11 ILE A 44 -4.319 -4.009 -8.641 1.00 54.24 H new ATOM 0 HD12 ILE A 44 -3.718 -4.678 -7.105 1.00 54.24 H new ATOM 0 HD13 ILE A 44 -3.520 -2.945 -7.459 1.00 54.24 H new ATOM 625 N ALA A 45 1.735 -5.704 -6.634 1.00 72.32 N ATOM 626 CA ALA A 45 2.870 -5.889 -5.745 1.00 53.52 C ATOM 627 C ALA A 45 4.152 -5.916 -6.581 1.00 73.14 C ATOM 628 O ALA A 45 5.051 -5.102 -6.367 1.00 3.30 O ATOM 629 CB ALA A 45 2.678 -7.182 -4.944 1.00 63.53 C ATOM 0 H ALA A 45 1.052 -6.460 -6.583 1.00 72.32 H new ATOM 0 HA ALA A 45 2.947 -5.067 -5.033 1.00 53.52 H new ATOM 0 HB1 ALA A 45 3.527 -7.325 -4.276 1.00 63.53 H new ATOM 0 HB2 ALA A 45 1.762 -7.114 -4.358 1.00 63.53 H new ATOM 0 HB3 ALA A 45 2.609 -8.027 -5.629 1.00 63.53 H new ATOM 635 N GLN A 46 4.206 -6.782 -7.599 1.00 13.10 N ATOM 636 CA GLN A 46 5.361 -6.897 -8.470 1.00 12.10 C ATOM 637 C GLN A 46 5.674 -5.571 -9.163 1.00 71.15 C ATOM 638 O GLN A 46 6.848 -5.254 -9.327 1.00 14.02 O ATOM 639 CB GLN A 46 5.106 -8.001 -9.496 1.00 15.33 C ATOM 640 CG GLN A 46 5.333 -9.388 -8.891 1.00 33.12 C ATOM 641 CD GLN A 46 4.962 -10.477 -9.889 1.00 2.12 C ATOM 642 OE1 GLN A 46 5.587 -10.606 -10.945 1.00 52.22 O ATOM 643 NE2 GLN A 46 3.905 -11.223 -9.620 1.00 30.51 N ATOM 0 H GLN A 46 3.445 -7.419 -7.835 1.00 13.10 H new ATOM 0 HA GLN A 46 6.232 -7.155 -7.867 1.00 12.10 H new ATOM 0 HB2 GLN A 46 4.084 -7.927 -9.866 1.00 15.33 H new ATOM 0 HB3 GLN A 46 5.766 -7.863 -10.353 1.00 15.33 H new ATOM 0 HG2 GLN A 46 6.377 -9.496 -8.598 1.00 33.12 H new ATOM 0 HG3 GLN A 46 4.735 -9.498 -7.986 1.00 33.12 H new ATOM 0 HE21 GLN A 46 3.404 -11.099 -8.740 1.00 30.51 H new ATOM 0 HE22 GLN A 46 3.590 -11.923 -10.292 1.00 30.51 H new ATOM 652 N SER A 47 4.664 -4.789 -9.555 1.00 1.13 N ATOM 653 CA SER A 47 4.863 -3.504 -10.211 1.00 44.24 C ATOM 654 C SER A 47 5.713 -2.601 -9.322 1.00 75.11 C ATOM 655 O SER A 47 6.675 -1.982 -9.782 1.00 52.41 O ATOM 656 CB SER A 47 3.500 -2.861 -10.489 1.00 70.45 C ATOM 657 OG SER A 47 3.605 -1.591 -11.101 1.00 32.43 O ATOM 0 H SER A 47 3.683 -5.035 -9.423 1.00 1.13 H new ATOM 0 HA SER A 47 5.384 -3.647 -11.157 1.00 44.24 H new ATOM 0 HB2 SER A 47 2.917 -3.521 -11.131 1.00 70.45 H new ATOM 0 HB3 SER A 47 2.952 -2.763 -9.552 1.00 70.45 H new ATOM 0 HG SER A 47 2.708 -1.228 -11.257 1.00 32.43 H new ATOM 663 N LEU A 48 5.361 -2.523 -8.038 1.00 3.10 N ATOM 664 CA LEU A 48 6.078 -1.698 -7.080 1.00 32.51 C ATOM 665 C LEU A 48 7.509 -2.208 -6.959 1.00 60.45 C ATOM 666 O LEU A 48 8.431 -1.396 -6.995 1.00 73.40 O ATOM 667 CB LEU A 48 5.331 -1.666 -5.741 1.00 34.43 C ATOM 668 CG LEU A 48 3.944 -1.004 -5.885 1.00 60.22 C ATOM 669 CD1 LEU A 48 3.062 -1.399 -4.707 1.00 40.41 C ATOM 670 CD2 LEU A 48 4.027 0.526 -5.973 1.00 71.53 C ATOM 0 H LEU A 48 4.572 -3.031 -7.639 1.00 3.10 H new ATOM 0 HA LEU A 48 6.127 -0.665 -7.424 1.00 32.51 H new ATOM 0 HB2 LEU A 48 5.213 -2.682 -5.364 1.00 34.43 H new ATOM 0 HB3 LEU A 48 5.922 -1.120 -5.006 1.00 34.43 H new ATOM 0 HG LEU A 48 3.512 -1.361 -6.820 1.00 60.22 H new ATOM 0 HD11 LEU A 48 2.084 -0.930 -4.812 1.00 40.41 H new ATOM 0 HD12 LEU A 48 2.945 -2.483 -4.687 1.00 40.41 H new ATOM 0 HD13 LEU A 48 3.526 -1.067 -3.778 1.00 40.41 H new ATOM 0 HD21 LEU A 48 3.024 0.940 -6.073 1.00 71.53 H new ATOM 0 HD22 LEU A 48 4.492 0.918 -5.069 1.00 71.53 H new ATOM 0 HD23 LEU A 48 4.624 0.809 -6.840 1.00 71.53 H new ATOM 682 N VAL A 49 7.722 -3.524 -6.862 1.00 1.14 N ATOM 683 CA VAL A 49 9.065 -4.096 -6.767 1.00 33.14 C ATOM 684 C VAL A 49 9.869 -3.700 -8.018 1.00 70.33 C ATOM 685 O VAL A 49 11.018 -3.276 -7.888 1.00 34.14 O ATOM 686 CB VAL A 49 8.986 -5.623 -6.551 1.00 1.21 C ATOM 687 CG1 VAL A 49 10.372 -6.270 -6.480 1.00 24.53 C ATOM 688 CG2 VAL A 49 8.262 -5.970 -5.243 1.00 25.32 C ATOM 0 H VAL A 49 6.973 -4.217 -6.847 1.00 1.14 H new ATOM 0 HA VAL A 49 9.590 -3.696 -5.900 1.00 33.14 H new ATOM 0 HB VAL A 49 8.437 -6.008 -7.410 1.00 1.21 H new ATOM 0 HG11 VAL A 49 10.265 -7.344 -6.327 1.00 24.53 H new ATOM 0 HG12 VAL A 49 10.907 -6.088 -7.412 1.00 24.53 H new ATOM 0 HG13 VAL A 49 10.932 -5.840 -5.650 1.00 24.53 H new ATOM 0 HG21 VAL A 49 8.225 -7.053 -5.124 1.00 25.32 H new ATOM 0 HG22 VAL A 49 8.799 -5.531 -4.402 1.00 25.32 H new ATOM 0 HG23 VAL A 49 7.247 -5.573 -5.273 1.00 25.32 H new ATOM 698 N GLN A 50 9.288 -3.798 -9.221 1.00 63.10 N ATOM 699 CA GLN A 50 9.951 -3.434 -10.472 1.00 42.44 C ATOM 700 C GLN A 50 10.362 -1.956 -10.418 1.00 75.21 C ATOM 701 O GLN A 50 11.469 -1.606 -10.832 1.00 10.41 O ATOM 702 CB GLN A 50 9.032 -3.707 -11.676 1.00 11.21 C ATOM 703 CG GLN A 50 8.792 -5.197 -11.968 1.00 10.24 C ATOM 704 CD GLN A 50 10.004 -5.911 -12.551 1.00 24.24 C ATOM 705 OE1 GLN A 50 10.506 -6.877 -11.968 1.00 43.14 O ATOM 706 NE2 GLN A 50 10.465 -5.499 -13.721 1.00 64.55 N ATOM 0 H GLN A 50 8.334 -4.136 -9.350 1.00 63.10 H new ATOM 0 HA GLN A 50 10.844 -4.046 -10.596 1.00 42.44 H new ATOM 0 HB2 GLN A 50 8.071 -3.224 -11.500 1.00 11.21 H new ATOM 0 HB3 GLN A 50 9.465 -3.241 -12.561 1.00 11.21 H new ATOM 0 HG2 GLN A 50 8.497 -5.696 -11.045 1.00 10.24 H new ATOM 0 HG3 GLN A 50 7.957 -5.292 -12.662 1.00 10.24 H new ATOM 0 HE21 GLN A 50 10.035 -4.699 -14.185 1.00 64.55 H new ATOM 0 HE22 GLN A 50 11.250 -5.982 -14.159 1.00 64.55 H new ATOM 715 N SER A 51 9.499 -1.085 -9.898 1.00 52.34 N ATOM 716 CA SER A 51 9.788 0.336 -9.774 1.00 72.34 C ATOM 717 C SER A 51 10.925 0.546 -8.758 1.00 54.23 C ATOM 718 O SER A 51 11.820 1.359 -8.992 1.00 15.11 O ATOM 719 CB SER A 51 8.492 1.064 -9.401 1.00 11.23 C ATOM 720 OG SER A 51 7.531 0.825 -10.416 1.00 32.25 O ATOM 0 H SER A 51 8.577 -1.350 -9.551 1.00 52.34 H new ATOM 0 HA SER A 51 10.140 0.756 -10.716 1.00 72.34 H new ATOM 0 HB2 SER A 51 8.122 0.709 -8.439 1.00 11.23 H new ATOM 0 HB3 SER A 51 8.675 2.134 -9.298 1.00 11.23 H new ATOM 0 HG SER A 51 7.158 -0.075 -10.308 1.00 32.25 H new ATOM 726 N ILE A 52 10.949 -0.204 -7.653 1.00 63.43 N ATOM 727 CA ILE A 52 11.988 -0.099 -6.629 1.00 12.05 C ATOM 728 C ILE A 52 13.325 -0.571 -7.214 1.00 63.34 C ATOM 729 O ILE A 52 14.350 0.010 -6.875 1.00 21.24 O ATOM 730 CB ILE A 52 11.566 -0.824 -5.330 1.00 42.43 C ATOM 731 CG1 ILE A 52 10.321 -0.128 -4.736 1.00 75.50 C ATOM 732 CG2 ILE A 52 12.675 -0.807 -4.259 1.00 13.44 C ATOM 733 CD1 ILE A 52 9.592 -1.013 -3.728 1.00 32.12 C ATOM 0 H ILE A 52 10.240 -0.907 -7.444 1.00 63.43 H new ATOM 0 HA ILE A 52 12.125 0.941 -6.333 1.00 12.05 H new ATOM 0 HB ILE A 52 11.358 -1.860 -5.596 1.00 42.43 H new ATOM 0 HG12 ILE A 52 10.623 0.800 -4.251 1.00 75.50 H new ATOM 0 HG13 ILE A 52 9.638 0.141 -5.542 1.00 75.50 H new ATOM 0 HG21 ILE A 52 12.328 -1.329 -3.367 1.00 13.44 H new ATOM 0 HG22 ILE A 52 13.564 -1.304 -4.648 1.00 13.44 H new ATOM 0 HG23 ILE A 52 12.919 0.224 -4.004 1.00 13.44 H new ATOM 0 HD11 ILE A 52 8.724 -0.481 -3.338 1.00 32.12 H new ATOM 0 HD12 ILE A 52 9.265 -1.930 -4.218 1.00 32.12 H new ATOM 0 HD13 ILE A 52 10.265 -1.260 -2.907 1.00 32.12 H new ATOM 745 N GLN A 53 13.362 -1.559 -8.117 1.00 5.02 N ATOM 746 CA GLN A 53 14.617 -2.020 -8.726 1.00 3.41 C ATOM 747 C GLN A 53 15.291 -0.852 -9.475 1.00 54.23 C ATOM 748 O GLN A 53 16.519 -0.741 -9.507 1.00 21.23 O ATOM 749 CB GLN A 53 14.337 -3.151 -9.716 1.00 63.51 C ATOM 750 CG GLN A 53 13.938 -4.503 -9.101 1.00 51.02 C ATOM 751 CD GLN A 53 13.193 -5.385 -10.111 1.00 44.20 C ATOM 752 OE1 GLN A 53 13.209 -5.146 -11.318 1.00 1.43 O ATOM 753 NE2 GLN A 53 12.469 -6.391 -9.658 1.00 71.54 N ATOM 0 H GLN A 53 12.534 -2.057 -8.443 1.00 5.02 H new ATOM 0 HA GLN A 53 15.276 -2.384 -7.937 1.00 3.41 H new ATOM 0 HB2 GLN A 53 13.540 -2.830 -10.387 1.00 63.51 H new ATOM 0 HB3 GLN A 53 15.227 -3.301 -10.327 1.00 63.51 H new ATOM 0 HG2 GLN A 53 14.831 -5.022 -8.752 1.00 51.02 H new ATOM 0 HG3 GLN A 53 13.306 -4.334 -8.229 1.00 51.02 H new ATOM 0 HE21 GLN A 53 12.450 -6.596 -8.659 1.00 71.54 H new ATOM 0 HE22 GLN A 53 11.929 -6.963 -10.307 1.00 71.54 H new ATOM 762 N SER A 54 14.491 0.041 -10.069 1.00 20.30 N ATOM 763 CA SER A 54 14.969 1.211 -10.795 1.00 73.13 C ATOM 764 C SER A 54 15.724 2.133 -9.821 1.00 32.11 C ATOM 765 O SER A 54 16.705 2.789 -10.183 1.00 21.34 O ATOM 766 CB SER A 54 13.744 1.887 -11.424 1.00 42.52 C ATOM 767 OG SER A 54 14.099 2.777 -12.457 1.00 35.12 O ATOM 0 H SER A 54 13.474 -0.036 -10.055 1.00 20.30 H new ATOM 0 HA SER A 54 15.669 0.950 -11.589 1.00 73.13 H new ATOM 0 HB2 SER A 54 13.073 1.124 -11.819 1.00 42.52 H new ATOM 0 HB3 SER A 54 13.194 2.428 -10.654 1.00 42.52 H new ATOM 0 HG SER A 54 13.290 3.184 -12.831 1.00 35.12 H new ATOM 773 N LEU A 55 15.238 2.225 -8.580 1.00 24.11 N ATOM 774 CA LEU A 55 15.835 3.016 -7.514 1.00 51.41 C ATOM 775 C LEU A 55 17.055 2.294 -6.942 1.00 3.42 C ATOM 776 O LEU A 55 18.061 2.933 -6.642 1.00 41.43 O ATOM 777 CB LEU A 55 14.804 3.274 -6.407 1.00 33.32 C ATOM 778 CG LEU A 55 13.837 4.420 -6.760 1.00 65.34 C ATOM 779 CD1 LEU A 55 12.587 4.421 -5.870 1.00 53.14 C ATOM 780 CD2 LEU A 55 14.535 5.789 -6.752 1.00 33.32 C ATOM 0 H LEU A 55 14.393 1.735 -8.286 1.00 24.11 H new ATOM 0 HA LEU A 55 16.156 3.974 -7.924 1.00 51.41 H new ATOM 0 HB2 LEU A 55 14.233 2.363 -6.227 1.00 33.32 H new ATOM 0 HB3 LEU A 55 15.323 3.514 -5.479 1.00 33.32 H new ATOM 0 HG LEU A 55 13.502 4.235 -7.781 1.00 65.34 H new ATOM 0 HD11 LEU A 55 11.936 5.247 -6.157 1.00 53.14 H new ATOM 0 HD12 LEU A 55 12.053 3.479 -5.992 1.00 53.14 H new ATOM 0 HD13 LEU A 55 12.883 4.538 -4.827 1.00 53.14 H new ATOM 0 HD21 LEU A 55 13.814 6.566 -7.006 1.00 33.32 H new ATOM 0 HD22 LEU A 55 14.943 5.983 -5.760 1.00 33.32 H new ATOM 0 HD23 LEU A 55 15.343 5.790 -7.484 1.00 33.32 H new ATOM 792 N ALA A 56 16.980 0.966 -6.810 1.00 60.05 N ATOM 793 CA ALA A 56 18.036 0.109 -6.290 1.00 1.14 C ATOM 794 C ALA A 56 19.328 0.327 -7.071 1.00 1.53 C ATOM 795 O ALA A 56 20.383 0.484 -6.456 1.00 73.12 O ATOM 796 CB ALA A 56 17.599 -1.355 -6.353 1.00 71.50 C ATOM 0 H ALA A 56 16.145 0.443 -7.075 1.00 60.05 H new ATOM 0 HA ALA A 56 18.224 0.368 -5.248 1.00 1.14 H new ATOM 0 HB1 ALA A 56 18.395 -1.989 -5.962 1.00 71.50 H new ATOM 0 HB2 ALA A 56 16.699 -1.492 -5.754 1.00 71.50 H new ATOM 0 HB3 ALA A 56 17.392 -1.629 -7.388 1.00 71.50 H new ATOM 802 N ALA A 57 19.223 0.401 -8.404 1.00 54.14 N ATOM 803 CA ALA A 57 20.343 0.622 -9.311 1.00 64.04 C ATOM 804 C ALA A 57 21.090 1.910 -8.948 1.00 63.10 C ATOM 805 O ALA A 57 22.320 1.960 -9.003 1.00 54.40 O ATOM 806 CB ALA A 57 19.814 0.719 -10.747 1.00 23.34 C ATOM 0 H ALA A 57 18.331 0.306 -8.888 1.00 54.14 H new ATOM 0 HA ALA A 57 21.038 -0.213 -9.225 1.00 64.04 H new ATOM 0 HB1 ALA A 57 20.646 0.884 -11.431 1.00 23.34 H new ATOM 0 HB2 ALA A 57 19.306 -0.209 -11.011 1.00 23.34 H new ATOM 0 HB3 ALA A 57 19.113 1.550 -10.821 1.00 23.34 H new ATOM 812 N GLN A 58 20.344 2.958 -8.593 1.00 0.21 N ATOM 813 CA GLN A 58 20.885 4.252 -8.207 1.00 61.20 C ATOM 814 C GLN A 58 21.381 4.263 -6.760 1.00 50.33 C ATOM 815 O GLN A 58 22.169 5.137 -6.398 1.00 23.35 O ATOM 816 CB GLN A 58 19.793 5.321 -8.383 1.00 75.30 C ATOM 817 CG GLN A 58 19.633 5.766 -9.841 1.00 0.21 C ATOM 818 CD GLN A 58 20.925 6.395 -10.353 1.00 23.12 C ATOM 819 OE1 GLN A 58 21.345 7.436 -9.846 1.00 64.42 O ATOM 820 NE2 GLN A 58 21.595 5.761 -11.299 1.00 2.02 N ATOM 0 H GLN A 58 19.325 2.924 -8.567 1.00 0.21 H new ATOM 0 HA GLN A 58 21.741 4.464 -8.847 1.00 61.20 H new ATOM 0 HB2 GLN A 58 18.843 4.928 -8.021 1.00 75.30 H new ATOM 0 HB3 GLN A 58 20.035 6.187 -7.767 1.00 75.30 H new ATOM 0 HG2 GLN A 58 19.368 4.910 -10.462 1.00 0.21 H new ATOM 0 HG3 GLN A 58 18.816 6.483 -9.921 1.00 0.21 H new ATOM 0 HE21 GLN A 58 21.221 4.901 -11.700 1.00 2.02 H new ATOM 0 HE22 GLN A 58 22.486 6.132 -11.629 1.00 2.02 H new ATOM 829 N GLY A 59 20.913 3.343 -5.917 1.00 54.11 N ATOM 830 CA GLY A 59 21.309 3.261 -4.521 1.00 51.42 C ATOM 831 C GLY A 59 20.718 4.388 -3.672 1.00 74.21 C ATOM 832 O GLY A 59 21.099 4.532 -2.513 1.00 64.52 O ATOM 0 H GLY A 59 20.240 2.627 -6.193 1.00 54.11 H new ATOM 0 HA2 GLY A 59 20.993 2.301 -4.114 1.00 51.42 H new ATOM 0 HA3 GLY A 59 22.396 3.293 -4.454 1.00 51.42 H new ATOM 836 N ARG A 60 19.800 5.207 -4.196 1.00 73.25 N ATOM 837 CA ARG A 60 19.184 6.321 -3.471 1.00 42.34 C ATOM 838 C ARG A 60 17.729 6.456 -3.849 1.00 41.35 C ATOM 839 O ARG A 60 17.365 6.075 -4.960 1.00 23.30 O ATOM 840 CB ARG A 60 19.897 7.633 -3.835 1.00 75.42 C ATOM 841 CG ARG A 60 21.255 7.715 -3.121 1.00 71.33 C ATOM 842 CD ARG A 60 21.997 9.051 -3.230 1.00 14.15 C ATOM 843 NE ARG A 60 21.169 10.231 -2.934 1.00 54.20 N ATOM 844 CZ ARG A 60 20.685 10.628 -1.751 1.00 72.22 C ATOM 845 NH1 ARG A 60 20.784 9.881 -0.653 1.00 23.40 N ATOM 846 NH2 ARG A 60 20.080 11.804 -1.671 1.00 31.55 N ATOM 0 H ARG A 60 19.459 5.112 -5.153 1.00 73.25 H new ATOM 0 HA ARG A 60 19.271 6.122 -2.403 1.00 42.34 H new ATOM 0 HB2 ARG A 60 20.041 7.690 -4.914 1.00 75.42 H new ATOM 0 HB3 ARG A 60 19.277 8.483 -3.551 1.00 75.42 H new ATOM 0 HG2 ARG A 60 21.101 7.494 -2.065 1.00 71.33 H new ATOM 0 HG3 ARG A 60 21.900 6.932 -3.520 1.00 71.33 H new ATOM 0 HD2 ARG A 60 22.847 9.038 -2.547 1.00 14.15 H new ATOM 0 HD3 ARG A 60 22.400 9.148 -4.238 1.00 14.15 H new ATOM 0 HE ARG A 60 20.934 10.821 -3.732 1.00 54.20 H new ATOM 0 HH11 ARG A 60 21.242 8.970 -0.695 1.00 23.40 H new ATOM 0 HH12 ARG A 60 20.402 10.219 0.230 1.00 23.40 H new ATOM 0 HH21 ARG A 60 19.990 12.389 -2.502 1.00 31.55 H new ATOM 0 HH22 ARG A 60 19.704 12.125 -0.779 1.00 31.55 H new ATOM 860 N THR A 61 16.931 7.080 -2.988 1.00 54.54 N ATOM 861 CA THR A 61 15.512 7.295 -3.213 1.00 34.35 C ATOM 862 C THR A 61 15.141 8.708 -2.769 1.00 24.44 C ATOM 863 O THR A 61 15.252 9.008 -1.573 1.00 65.41 O ATOM 864 CB THR A 61 14.700 6.212 -2.471 1.00 75.02 C ATOM 865 OG1 THR A 61 15.010 6.133 -1.088 1.00 11.44 O ATOM 866 CG2 THR A 61 14.984 4.830 -3.032 1.00 4.54 C ATOM 0 H THR A 61 17.262 7.456 -2.099 1.00 54.54 H new ATOM 0 HA THR A 61 15.274 7.208 -4.273 1.00 34.35 H new ATOM 0 HB THR A 61 13.660 6.507 -2.610 1.00 75.02 H new ATOM 0 HG1 THR A 61 15.217 7.028 -0.748 1.00 11.44 H new ATOM 0 HG21 THR A 61 14.397 4.089 -2.489 1.00 4.54 H new ATOM 0 HG22 THR A 61 14.714 4.803 -4.088 1.00 4.54 H new ATOM 0 HG23 THR A 61 16.045 4.604 -2.923 1.00 4.54 H new ATOM 874 N SER A 62 14.803 9.615 -3.695 1.00 20.32 N ATOM 875 CA SER A 62 14.420 10.958 -3.272 1.00 14.31 C ATOM 876 C SER A 62 13.080 10.827 -2.546 1.00 74.12 C ATOM 877 O SER A 62 12.306 9.920 -2.873 1.00 22.10 O ATOM 878 CB SER A 62 14.373 11.941 -4.445 1.00 60.11 C ATOM 879 OG SER A 62 13.346 11.685 -5.379 1.00 43.14 O ATOM 0 H SER A 62 14.788 9.450 -4.701 1.00 20.32 H new ATOM 0 HA SER A 62 15.166 11.380 -2.599 1.00 14.31 H new ATOM 0 HB2 SER A 62 14.248 12.950 -4.053 1.00 60.11 H new ATOM 0 HB3 SER A 62 15.332 11.917 -4.962 1.00 60.11 H new ATOM 0 HG SER A 62 13.380 12.354 -6.095 1.00 43.14 H new ATOM 885 N PRO A 63 12.764 11.708 -1.589 1.00 51.52 N ATOM 886 CA PRO A 63 11.514 11.618 -0.854 1.00 42.34 C ATOM 887 C PRO A 63 10.316 11.718 -1.793 1.00 63.22 C ATOM 888 O PRO A 63 9.445 10.860 -1.737 1.00 33.45 O ATOM 889 CB PRO A 63 11.560 12.736 0.187 1.00 55.20 C ATOM 890 CG PRO A 63 12.540 13.732 -0.425 1.00 25.12 C ATOM 891 CD PRO A 63 13.556 12.827 -1.111 1.00 13.11 C ATOM 0 HA PRO A 63 11.396 10.654 -0.360 1.00 42.34 H new ATOM 0 HB2 PRO A 63 10.578 13.181 0.345 1.00 55.20 H new ATOM 0 HB3 PRO A 63 11.905 12.373 1.155 1.00 55.20 H new ATOM 0 HG2 PRO A 63 12.049 14.399 -1.134 1.00 25.12 H new ATOM 0 HG3 PRO A 63 13.006 14.360 0.334 1.00 25.12 H new ATOM 0 HD2 PRO A 63 14.058 13.340 -1.931 1.00 13.11 H new ATOM 0 HD3 PRO A 63 14.331 12.500 -0.418 1.00 13.11 H new ATOM 899 N ASN A 64 10.311 12.678 -2.725 1.00 41.54 N ATOM 900 CA ASN A 64 9.195 12.853 -3.647 1.00 53.43 C ATOM 901 C ASN A 64 8.860 11.578 -4.431 1.00 25.53 C ATOM 902 O ASN A 64 7.708 11.146 -4.395 1.00 63.44 O ATOM 903 CB ASN A 64 9.411 14.046 -4.586 1.00 42.40 C ATOM 904 CG ASN A 64 8.194 14.269 -5.484 1.00 3.01 C ATOM 905 OD1 ASN A 64 8.280 14.090 -6.697 1.00 11.14 O ATOM 906 ND2 ASN A 64 7.063 14.668 -4.927 1.00 54.13 N ATOM 0 H ASN A 64 11.072 13.345 -2.857 1.00 41.54 H new ATOM 0 HA ASN A 64 8.326 13.072 -3.026 1.00 53.43 H new ATOM 0 HB2 ASN A 64 9.603 14.944 -3.999 1.00 42.40 H new ATOM 0 HB3 ASN A 64 10.294 13.873 -5.201 1.00 42.40 H new ATOM 0 HD21 ASN A 64 6.240 14.833 -5.506 1.00 54.13 H new ATOM 0 HD22 ASN A 64 7.014 14.810 -3.918 1.00 54.13 H new ATOM 913 N LYS A 65 9.831 10.956 -5.123 1.00 74.54 N ATOM 914 CA LYS A 65 9.553 9.734 -5.894 1.00 34.11 C ATOM 915 C LYS A 65 9.334 8.515 -5.000 1.00 64.13 C ATOM 916 O LYS A 65 8.630 7.587 -5.406 1.00 63.40 O ATOM 917 CB LYS A 65 10.574 9.498 -7.016 1.00 3.42 C ATOM 918 CG LYS A 65 11.920 8.907 -6.572 1.00 23.40 C ATOM 919 CD LYS A 65 12.931 8.864 -7.729 1.00 14.04 C ATOM 920 CE LYS A 65 13.361 10.244 -8.235 1.00 23.30 C ATOM 921 NZ LYS A 65 14.047 10.159 -9.538 1.00 32.41 N ATOM 0 H LYS A 65 10.799 11.274 -5.164 1.00 74.54 H new ATOM 0 HA LYS A 65 8.602 9.896 -6.401 1.00 34.11 H new ATOM 0 HB2 LYS A 65 10.129 8.830 -7.753 1.00 3.42 H new ATOM 0 HB3 LYS A 65 10.762 10.447 -7.518 1.00 3.42 H new ATOM 0 HG2 LYS A 65 12.327 9.502 -5.755 1.00 23.40 H new ATOM 0 HG3 LYS A 65 11.766 7.899 -6.186 1.00 23.40 H new ATOM 0 HD2 LYS A 65 13.816 8.316 -7.404 1.00 14.04 H new ATOM 0 HD3 LYS A 65 12.496 8.305 -8.557 1.00 14.04 H new ATOM 0 HE2 LYS A 65 12.486 10.887 -8.326 1.00 23.30 H new ATOM 0 HE3 LYS A 65 14.023 10.709 -7.505 1.00 23.30 H new ATOM 0 HZ1 LYS A 65 14.323 11.113 -9.848 1.00 32.41 H new ATOM 0 HZ2 LYS A 65 14.896 9.566 -9.445 1.00 32.41 H new ATOM 0 HZ3 LYS A 65 13.406 9.738 -10.241 1.00 32.41 H new ATOM 935 N LEU A 66 9.963 8.462 -3.823 1.00 72.53 N ATOM 936 CA LEU A 66 9.787 7.352 -2.889 1.00 12.32 C ATOM 937 C LEU A 66 8.324 7.383 -2.444 1.00 11.41 C ATOM 938 O LEU A 66 7.623 6.382 -2.530 1.00 34.25 O ATOM 939 CB LEU A 66 10.766 7.513 -1.717 1.00 71.10 C ATOM 940 CG LEU A 66 10.699 6.416 -0.643 1.00 42.41 C ATOM 941 CD1 LEU A 66 11.041 5.041 -1.225 1.00 22.30 C ATOM 942 CD2 LEU A 66 11.709 6.778 0.453 1.00 62.25 C ATOM 0 H LEU A 66 10.604 9.184 -3.494 1.00 72.53 H new ATOM 0 HA LEU A 66 10.004 6.385 -3.343 1.00 12.32 H new ATOM 0 HB2 LEU A 66 11.780 7.546 -2.115 1.00 71.10 H new ATOM 0 HB3 LEU A 66 10.580 8.475 -1.240 1.00 71.10 H new ATOM 0 HG LEU A 66 9.686 6.359 -0.244 1.00 42.41 H new ATOM 0 HD11 LEU A 66 10.984 4.289 -0.438 1.00 22.30 H new ATOM 0 HD12 LEU A 66 10.332 4.794 -2.015 1.00 22.30 H new ATOM 0 HD13 LEU A 66 12.050 5.061 -1.636 1.00 22.30 H new ATOM 0 HD21 LEU A 66 11.687 6.018 1.234 1.00 62.25 H new ATOM 0 HD22 LEU A 66 12.710 6.828 0.023 1.00 62.25 H new ATOM 0 HD23 LEU A 66 11.449 7.746 0.882 1.00 62.25 H new ATOM 954 N GLN A 67 7.849 8.563 -2.046 1.00 10.23 N ATOM 955 CA GLN A 67 6.488 8.815 -1.613 1.00 22.42 C ATOM 956 C GLN A 67 5.534 8.522 -2.774 1.00 72.01 C ATOM 957 O GLN A 67 4.487 7.920 -2.559 1.00 45.12 O ATOM 958 CB GLN A 67 6.406 10.281 -1.169 1.00 13.15 C ATOM 959 CG GLN A 67 5.086 10.680 -0.503 1.00 1.40 C ATOM 960 CD GLN A 67 4.823 12.165 -0.717 1.00 13.45 C ATOM 961 OE1 GLN A 67 4.511 12.582 -1.829 1.00 54.20 O ATOM 962 NE2 GLN A 67 4.972 13.010 0.289 1.00 12.04 N ATOM 0 H GLN A 67 8.432 9.400 -2.018 1.00 10.23 H new ATOM 0 HA GLN A 67 6.203 8.173 -0.779 1.00 22.42 H new ATOM 0 HB2 GLN A 67 7.222 10.481 -0.474 1.00 13.15 H new ATOM 0 HB3 GLN A 67 6.564 10.918 -2.039 1.00 13.15 H new ATOM 0 HG2 GLN A 67 4.267 10.093 -0.919 1.00 1.40 H new ATOM 0 HG3 GLN A 67 5.126 10.459 0.564 1.00 1.40 H new ATOM 0 HE21 GLN A 67 5.231 12.663 1.212 1.00 12.04 H new ATOM 0 HE22 GLN A 67 4.828 14.009 0.142 1.00 12.04 H new ATOM 971 N ALA A 68 5.903 8.883 -4.010 1.00 4.42 N ATOM 972 CA ALA A 68 5.077 8.660 -5.189 1.00 73.32 C ATOM 973 C ALA A 68 4.718 7.182 -5.356 1.00 1.14 C ATOM 974 O ALA A 68 3.589 6.881 -5.745 1.00 22.10 O ATOM 975 CB ALA A 68 5.770 9.186 -6.450 1.00 24.10 C ATOM 0 H ALA A 68 6.791 9.341 -4.214 1.00 4.42 H new ATOM 0 HA ALA A 68 4.150 9.215 -5.044 1.00 73.32 H new ATOM 0 HB1 ALA A 68 5.133 9.008 -7.316 1.00 24.10 H new ATOM 0 HB2 ALA A 68 5.951 10.256 -6.346 1.00 24.10 H new ATOM 0 HB3 ALA A 68 6.720 8.669 -6.586 1.00 24.10 H new ATOM 981 N LEU A 69 5.644 6.246 -5.107 1.00 24.12 N ATOM 982 CA LEU A 69 5.314 4.824 -5.251 1.00 71.20 C ATOM 983 C LEU A 69 4.359 4.397 -4.130 1.00 71.11 C ATOM 984 O LEU A 69 3.498 3.555 -4.364 1.00 4.14 O ATOM 985 CB LEU A 69 6.564 3.945 -5.434 1.00 2.03 C ATOM 986 CG LEU A 69 7.284 3.461 -4.160 1.00 1.05 C ATOM 987 CD1 LEU A 69 6.800 2.075 -3.734 1.00 45.33 C ATOM 988 CD2 LEU A 69 8.799 3.413 -4.405 1.00 71.30 C ATOM 0 H LEU A 69 6.601 6.440 -4.813 1.00 24.12 H new ATOM 0 HA LEU A 69 4.771 4.667 -6.183 1.00 71.20 H new ATOM 0 HB2 LEU A 69 6.277 3.067 -6.012 1.00 2.03 H new ATOM 0 HB3 LEU A 69 7.282 4.502 -6.036 1.00 2.03 H new ATOM 0 HG LEU A 69 7.055 4.166 -3.361 1.00 1.05 H new ATOM 0 HD11 LEU A 69 7.329 1.766 -2.833 1.00 45.33 H new ATOM 0 HD12 LEU A 69 5.729 2.110 -3.532 1.00 45.33 H new ATOM 0 HD13 LEU A 69 6.996 1.360 -4.533 1.00 45.33 H new ATOM 0 HD21 LEU A 69 9.303 3.070 -3.501 1.00 71.30 H new ATOM 0 HD22 LEU A 69 9.014 2.726 -5.223 1.00 71.30 H new ATOM 0 HD23 LEU A 69 9.157 4.409 -4.665 1.00 71.30 H new ATOM 1000 N ASN A 70 4.473 4.988 -2.933 1.00 52.40 N ATOM 1001 CA ASN A 70 3.589 4.683 -1.802 1.00 60.13 C ATOM 1002 C ASN A 70 2.188 5.228 -2.115 1.00 55.14 C ATOM 1003 O ASN A 70 1.182 4.641 -1.723 1.00 24.34 O ATOM 1004 CB ASN A 70 4.146 5.280 -0.506 1.00 44.14 C ATOM 1005 CG ASN A 70 3.423 4.771 0.732 1.00 25.22 C ATOM 1006 OD1 ASN A 70 3.214 3.579 0.916 1.00 43.44 O ATOM 1007 ND2 ASN A 70 3.122 5.668 1.651 1.00 31.02 N ATOM 0 H ASN A 70 5.181 5.691 -2.722 1.00 52.40 H new ATOM 0 HA ASN A 70 3.528 3.604 -1.657 1.00 60.13 H new ATOM 0 HB2 ASN A 70 5.206 5.041 -0.427 1.00 44.14 H new ATOM 0 HB3 ASN A 70 4.067 6.366 -0.547 1.00 44.14 H new ATOM 0 HD21 ASN A 70 2.707 5.373 2.535 1.00 31.02 H new ATOM 0 HD22 ASN A 70 3.304 6.657 1.478 1.00 31.02 H new ATOM 1014 N MET A 71 2.105 6.349 -2.845 1.00 24.01 N ATOM 1015 CA MET A 71 0.832 6.930 -3.250 1.00 64.43 C ATOM 1016 C MET A 71 0.234 5.996 -4.304 1.00 21.23 C ATOM 1017 O MET A 71 -0.917 5.616 -4.162 1.00 72.02 O ATOM 1018 CB MET A 71 0.972 8.352 -3.798 1.00 21.11 C ATOM 1019 CG MET A 71 1.325 9.359 -2.698 1.00 1.01 C ATOM 1020 SD MET A 71 0.850 11.069 -3.059 1.00 33.34 S ATOM 1021 CE MET A 71 1.755 11.313 -4.602 1.00 12.20 C ATOM 0 H MET A 71 2.920 6.872 -3.167 1.00 24.01 H new ATOM 0 HA MET A 71 0.182 7.021 -2.380 1.00 64.43 H new ATOM 0 HB2 MET A 71 1.744 8.370 -4.567 1.00 21.11 H new ATOM 0 HB3 MET A 71 0.039 8.650 -4.276 1.00 21.11 H new ATOM 0 HG2 MET A 71 0.841 9.049 -1.772 1.00 1.01 H new ATOM 0 HG3 MET A 71 2.400 9.324 -2.523 1.00 1.01 H new ATOM 0 HE1 MET A 71 1.694 12.360 -4.898 1.00 12.20 H new ATOM 0 HE2 MET A 71 2.800 11.037 -4.459 1.00 12.20 H new ATOM 0 HE3 MET A 71 1.319 10.689 -5.382 1.00 12.20 H new ATOM 1031 N ALA A 72 1.002 5.570 -5.319 1.00 73.33 N ATOM 1032 CA ALA A 72 0.523 4.662 -6.366 1.00 61.42 C ATOM 1033 C ALA A 72 -0.010 3.363 -5.744 1.00 45.04 C ATOM 1034 O ALA A 72 -1.065 2.869 -6.142 1.00 25.40 O ATOM 1035 CB ALA A 72 1.642 4.373 -7.371 1.00 1.02 C ATOM 0 H ALA A 72 1.976 5.848 -5.435 1.00 73.33 H new ATOM 0 HA ALA A 72 -0.297 5.142 -6.900 1.00 61.42 H new ATOM 0 HB1 ALA A 72 1.273 3.698 -8.143 1.00 1.02 H new ATOM 0 HB2 ALA A 72 1.968 5.306 -7.831 1.00 1.02 H new ATOM 0 HB3 ALA A 72 2.483 3.909 -6.856 1.00 1.02 H new ATOM 1041 N PHE A 73 0.707 2.834 -4.747 1.00 45.42 N ATOM 1042 CA PHE A 73 0.364 1.629 -3.998 1.00 5.52 C ATOM 1043 C PHE A 73 -1.041 1.797 -3.410 1.00 3.33 C ATOM 1044 O PHE A 73 -1.821 0.846 -3.405 1.00 13.50 O ATOM 1045 CB PHE A 73 1.439 1.443 -2.910 1.00 31.02 C ATOM 1046 CG PHE A 73 1.149 0.526 -1.734 1.00 62.41 C ATOM 1047 CD1 PHE A 73 0.977 1.084 -0.451 1.00 61.44 C ATOM 1048 CD2 PHE A 73 1.134 -0.875 -1.881 1.00 44.00 C ATOM 1049 CE1 PHE A 73 0.795 0.253 0.667 1.00 55.22 C ATOM 1050 CE2 PHE A 73 0.972 -1.706 -0.758 1.00 51.12 C ATOM 1051 CZ PHE A 73 0.796 -1.145 0.517 1.00 44.34 C ATOM 0 H PHE A 73 1.580 3.255 -4.429 1.00 45.42 H new ATOM 0 HA PHE A 73 0.347 0.740 -4.628 1.00 5.52 H new ATOM 0 HB2 PHE A 73 2.341 1.075 -3.399 1.00 31.02 H new ATOM 0 HB3 PHE A 73 1.674 2.429 -2.508 1.00 31.02 H new ATOM 0 HD1 PHE A 73 0.985 2.157 -0.327 1.00 61.44 H new ATOM 0 HD2 PHE A 73 1.248 -1.313 -2.862 1.00 44.00 H new ATOM 0 HE1 PHE A 73 0.654 0.689 1.645 1.00 55.22 H new ATOM 0 HE2 PHE A 73 0.983 -2.779 -0.877 1.00 51.12 H new ATOM 0 HZ PHE A 73 0.662 -1.784 1.378 1.00 44.34 H new ATOM 1061 N ALA A 74 -1.363 2.988 -2.901 1.00 14.32 N ATOM 1062 CA ALA A 74 -2.655 3.319 -2.325 1.00 12.52 C ATOM 1063 C ALA A 74 -3.698 3.524 -3.434 1.00 53.41 C ATOM 1064 O ALA A 74 -4.775 2.936 -3.390 1.00 23.33 O ATOM 1065 CB ALA A 74 -2.486 4.574 -1.462 1.00 30.15 C ATOM 0 H ALA A 74 -0.707 3.769 -2.881 1.00 14.32 H new ATOM 0 HA ALA A 74 -3.016 2.503 -1.699 1.00 12.52 H new ATOM 0 HB1 ALA A 74 -3.445 4.842 -1.018 1.00 30.15 H new ATOM 0 HB2 ALA A 74 -1.762 4.377 -0.671 1.00 30.15 H new ATOM 0 HB3 ALA A 74 -2.130 5.397 -2.082 1.00 30.15 H new ATOM 1071 N SER A 75 -3.380 4.315 -4.455 1.00 4.31 N ATOM 1072 CA SER A 75 -4.244 4.625 -5.581 1.00 32.03 C ATOM 1073 C SER A 75 -4.763 3.391 -6.321 1.00 52.30 C ATOM 1074 O SER A 75 -5.941 3.339 -6.663 1.00 61.20 O ATOM 1075 CB SER A 75 -3.445 5.450 -6.588 1.00 61.23 C ATOM 1076 OG SER A 75 -3.035 6.709 -6.100 1.00 64.21 O ATOM 0 H SER A 75 -2.472 4.776 -4.519 1.00 4.31 H new ATOM 0 HA SER A 75 -5.105 5.156 -5.174 1.00 32.03 H new ATOM 0 HB2 SER A 75 -2.564 4.884 -6.889 1.00 61.23 H new ATOM 0 HB3 SER A 75 -4.050 5.598 -7.483 1.00 61.23 H new ATOM 0 HG SER A 75 -2.328 6.587 -5.432 1.00 64.21 H new ATOM 1082 N SER A 76 -3.923 2.384 -6.570 1.00 33.33 N ATOM 1083 CA SER A 76 -4.353 1.201 -7.307 1.00 74.51 C ATOM 1084 C SER A 76 -5.424 0.412 -6.548 1.00 5.14 C ATOM 1085 O SER A 76 -6.317 -0.184 -7.154 1.00 73.11 O ATOM 1086 CB SER A 76 -3.127 0.367 -7.685 1.00 65.32 C ATOM 1087 OG SER A 76 -3.441 -0.524 -8.734 1.00 64.43 O ATOM 0 H SER A 76 -2.947 2.367 -6.273 1.00 33.33 H new ATOM 0 HA SER A 76 -4.840 1.507 -8.233 1.00 74.51 H new ATOM 0 HB2 SER A 76 -2.312 1.024 -7.989 1.00 65.32 H new ATOM 0 HB3 SER A 76 -2.778 -0.192 -6.817 1.00 65.32 H new ATOM 0 HG SER A 76 -2.647 -1.049 -8.966 1.00 64.43 H new ATOM 1093 N LEU A 77 -5.370 0.427 -5.212 1.00 65.23 N ATOM 1094 CA LEU A 77 -6.351 -0.270 -4.395 1.00 41.22 C ATOM 1095 C LEU A 77 -7.724 0.375 -4.527 1.00 51.24 C ATOM 1096 O LEU A 77 -8.722 -0.308 -4.332 1.00 61.44 O ATOM 1097 CB LEU A 77 -5.999 -0.158 -2.912 1.00 42.31 C ATOM 1098 CG LEU A 77 -4.811 -0.974 -2.401 1.00 21.42 C ATOM 1099 CD1 LEU A 77 -4.775 -0.750 -0.887 1.00 61.42 C ATOM 1100 CD2 LEU A 77 -4.917 -2.472 -2.695 1.00 12.51 C ATOM 0 H LEU A 77 -4.652 0.918 -4.678 1.00 65.23 H new ATOM 0 HA LEU A 77 -6.354 -1.305 -4.736 1.00 41.22 H new ATOM 0 HB2 LEU A 77 -5.805 0.892 -2.692 1.00 42.31 H new ATOM 0 HB3 LEU A 77 -6.878 -0.448 -2.336 1.00 42.31 H new ATOM 0 HG LEU A 77 -3.905 -0.645 -2.910 1.00 21.42 H new ATOM 0 HD11 LEU A 77 -3.944 -1.309 -0.456 1.00 61.42 H new ATOM 0 HD12 LEU A 77 -4.645 0.312 -0.679 1.00 61.42 H new ATOM 0 HD13 LEU A 77 -5.711 -1.094 -0.446 1.00 61.42 H new ATOM 0 HD21 LEU A 77 -4.038 -2.983 -2.302 1.00 12.51 H new ATOM 0 HD22 LEU A 77 -5.812 -2.873 -2.220 1.00 12.51 H new ATOM 0 HD23 LEU A 77 -4.976 -2.628 -3.772 1.00 12.51 H new ATOM 1112 N ALA A 78 -7.791 1.678 -4.810 1.00 3.35 N ATOM 1113 CA ALA A 78 -9.038 2.416 -4.935 1.00 71.21 C ATOM 1114 C ALA A 78 -9.931 1.884 -6.049 1.00 42.41 C ATOM 1115 O ALA A 78 -11.155 1.972 -5.963 1.00 72.23 O ATOM 1116 CB ALA A 78 -8.711 3.878 -5.178 1.00 75.41 C ATOM 0 H ALA A 78 -6.963 2.254 -4.960 1.00 3.35 H new ATOM 0 HA ALA A 78 -9.598 2.293 -4.008 1.00 71.21 H new ATOM 0 HB1 ALA A 78 -9.636 4.447 -5.274 1.00 75.41 H new ATOM 0 HB2 ALA A 78 -8.132 4.266 -4.340 1.00 75.41 H new ATOM 0 HB3 ALA A 78 -8.129 3.973 -6.095 1.00 75.41 H new ATOM 1122 N GLU A 79 -9.326 1.345 -7.100 1.00 62.33 N ATOM 1123 CA GLU A 79 -10.024 0.781 -8.241 1.00 14.13 C ATOM 1124 C GLU A 79 -10.815 -0.436 -7.751 1.00 25.42 C ATOM 1125 O GLU A 79 -12.041 -0.506 -7.875 1.00 22.12 O ATOM 1126 CB GLU A 79 -8.944 0.483 -9.280 1.00 73.44 C ATOM 1127 CG GLU A 79 -9.477 0.044 -10.640 1.00 53.32 C ATOM 1128 CD GLU A 79 -8.539 0.539 -11.742 1.00 11.44 C ATOM 1129 OE1 GLU A 79 -7.321 0.222 -11.705 1.00 55.32 O ATOM 1130 OE2 GLU A 79 -9.018 1.314 -12.602 1.00 54.40 O ATOM 0 H GLU A 79 -8.311 1.288 -7.181 1.00 62.33 H new ATOM 0 HA GLU A 79 -10.758 1.438 -8.707 1.00 14.13 H new ATOM 0 HB2 GLU A 79 -8.332 1.375 -9.415 1.00 73.44 H new ATOM 0 HB3 GLU A 79 -8.290 -0.297 -8.891 1.00 73.44 H new ATOM 0 HG2 GLU A 79 -9.557 -1.042 -10.677 1.00 53.32 H new ATOM 0 HG3 GLU A 79 -10.479 0.443 -10.795 1.00 53.32 H new ATOM 1137 N ILE A 80 -10.119 -1.362 -7.089 1.00 60.00 N ATOM 1138 CA ILE A 80 -10.732 -2.563 -6.539 1.00 65.02 C ATOM 1139 C ILE A 80 -11.664 -2.143 -5.383 1.00 55.30 C ATOM 1140 O ILE A 80 -12.665 -2.806 -5.120 1.00 4.33 O ATOM 1141 CB ILE A 80 -9.644 -3.581 -6.114 1.00 4.44 C ATOM 1142 CG1 ILE A 80 -8.460 -3.724 -7.106 1.00 51.33 C ATOM 1143 CG2 ILE A 80 -10.262 -4.967 -5.861 1.00 13.32 C ATOM 1144 CD1 ILE A 80 -8.843 -4.110 -8.543 1.00 70.13 C ATOM 0 H ILE A 80 -9.115 -1.297 -6.921 1.00 60.00 H new ATOM 0 HA ILE A 80 -11.335 -3.074 -7.289 1.00 65.02 H new ATOM 0 HB ILE A 80 -9.226 -3.169 -5.195 1.00 4.44 H new ATOM 0 HG12 ILE A 80 -7.917 -2.779 -7.135 1.00 51.33 H new ATOM 0 HG13 ILE A 80 -7.772 -4.475 -6.718 1.00 51.33 H new ATOM 0 HG21 ILE A 80 -9.480 -5.665 -5.564 1.00 13.32 H new ATOM 0 HG22 ILE A 80 -11.005 -4.895 -5.067 1.00 13.32 H new ATOM 0 HG23 ILE A 80 -10.740 -5.324 -6.773 1.00 13.32 H new ATOM 0 HD11 ILE A 80 -7.942 -4.183 -9.152 1.00 70.13 H new ATOM 0 HD12 ILE A 80 -9.356 -5.072 -8.537 1.00 70.13 H new ATOM 0 HD13 ILE A 80 -9.503 -3.349 -8.960 1.00 70.13 H new ATOM 1156 N ALA A 81 -11.371 -1.034 -4.685 1.00 55.51 N ATOM 1157 CA ALA A 81 -12.182 -0.525 -3.584 1.00 65.11 C ATOM 1158 C ALA A 81 -13.560 -0.111 -4.096 1.00 1.13 C ATOM 1159 O ALA A 81 -14.545 -0.351 -3.406 1.00 4.21 O ATOM 1160 CB ALA A 81 -11.517 0.644 -2.848 1.00 71.54 C ATOM 0 H ALA A 81 -10.549 -0.462 -4.879 1.00 55.51 H new ATOM 0 HA ALA A 81 -12.285 -1.335 -2.862 1.00 65.11 H new ATOM 0 HB1 ALA A 81 -12.166 0.981 -2.040 1.00 71.54 H new ATOM 0 HB2 ALA A 81 -10.562 0.318 -2.435 1.00 71.54 H new ATOM 0 HB3 ALA A 81 -11.350 1.465 -3.545 1.00 71.54 H new ATOM 1166 N ALA A 82 -13.645 0.494 -5.284 1.00 53.21 N ATOM 1167 CA ALA A 82 -14.927 0.911 -5.834 1.00 23.54 C ATOM 1168 C ALA A 82 -15.679 -0.289 -6.416 1.00 2.04 C ATOM 1169 O ALA A 82 -16.909 -0.316 -6.332 1.00 2.24 O ATOM 1170 CB ALA A 82 -14.694 1.960 -6.923 1.00 43.12 C ATOM 0 H ALA A 82 -12.842 0.703 -5.877 1.00 53.21 H new ATOM 0 HA ALA A 82 -15.532 1.341 -5.036 1.00 23.54 H new ATOM 0 HB1 ALA A 82 -15.652 2.274 -7.337 1.00 43.12 H new ATOM 0 HB2 ALA A 82 -14.184 2.822 -6.494 1.00 43.12 H new ATOM 0 HB3 ALA A 82 -14.080 1.532 -7.715 1.00 43.12 H new ATOM 1176 N SER A 83 -14.952 -1.288 -6.928 1.00 14.10 N ATOM 1177 CA SER A 83 -15.497 -2.500 -7.529 1.00 62.41 C ATOM 1178 C SER A 83 -16.449 -3.233 -6.566 1.00 10.45 C ATOM 1179 O SER A 83 -16.306 -3.158 -5.336 1.00 22.53 O ATOM 1180 CB SER A 83 -14.337 -3.390 -7.997 1.00 73.13 C ATOM 1181 OG SER A 83 -13.523 -2.714 -8.952 1.00 63.25 O ATOM 0 H SER A 83 -13.932 -1.270 -6.933 1.00 14.10 H new ATOM 0 HA SER A 83 -16.102 -2.234 -8.396 1.00 62.41 H new ATOM 0 HB2 SER A 83 -13.730 -3.682 -7.140 1.00 73.13 H new ATOM 0 HB3 SER A 83 -14.732 -4.306 -8.435 1.00 73.13 H new ATOM 0 HG SER A 83 -13.014 -2.005 -8.505 1.00 63.25 H new ATOM 1187 N GLU A 84 -17.448 -3.920 -7.127 1.00 72.13 N ATOM 1188 CA GLU A 84 -18.469 -4.668 -6.394 1.00 54.02 C ATOM 1189 C GLU A 84 -17.848 -5.829 -5.604 1.00 70.33 C ATOM 1190 O GLU A 84 -18.247 -6.093 -4.468 1.00 11.14 O ATOM 1191 CB GLU A 84 -19.555 -5.127 -7.393 1.00 41.20 C ATOM 1192 CG GLU A 84 -20.815 -5.766 -6.777 1.00 53.11 C ATOM 1193 CD GLU A 84 -21.749 -4.778 -6.061 1.00 43.30 C ATOM 1194 OE1 GLU A 84 -21.289 -4.052 -5.148 1.00 73.21 O ATOM 1195 OE2 GLU A 84 -22.978 -4.772 -6.305 1.00 0.51 O ATOM 0 H GLU A 84 -17.571 -3.971 -8.138 1.00 72.13 H new ATOM 0 HA GLU A 84 -18.940 -4.029 -5.647 1.00 54.02 H new ATOM 0 HB2 GLU A 84 -19.862 -4.266 -7.986 1.00 41.20 H new ATOM 0 HB3 GLU A 84 -19.108 -5.844 -8.081 1.00 41.20 H new ATOM 0 HG2 GLU A 84 -21.375 -6.268 -7.566 1.00 53.11 H new ATOM 0 HG3 GLU A 84 -20.507 -6.534 -6.067 1.00 53.11 H new ATOM 1202 N GLU A 85 -16.819 -6.465 -6.163 1.00 21.41 N ATOM 1203 CA GLU A 85 -16.073 -7.595 -5.623 1.00 53.14 C ATOM 1204 C GLU A 85 -15.549 -7.335 -4.204 1.00 71.30 C ATOM 1205 O GLU A 85 -14.606 -6.561 -3.995 1.00 43.13 O ATOM 1206 CB GLU A 85 -14.918 -7.952 -6.576 1.00 22.43 C ATOM 1207 CG GLU A 85 -15.357 -8.709 -7.841 1.00 42.11 C ATOM 1208 CD GLU A 85 -16.224 -7.908 -8.820 1.00 2.51 C ATOM 1209 OE1 GLU A 85 -16.116 -6.662 -8.878 1.00 61.13 O ATOM 1210 OE2 GLU A 85 -16.995 -8.549 -9.573 1.00 20.22 O ATOM 0 H GLU A 85 -16.460 -6.180 -7.074 1.00 21.41 H new ATOM 0 HA GLU A 85 -16.759 -8.438 -5.546 1.00 53.14 H new ATOM 0 HB2 GLU A 85 -14.410 -7.035 -6.873 1.00 22.43 H new ATOM 0 HB3 GLU A 85 -14.191 -8.559 -6.037 1.00 22.43 H new ATOM 0 HG2 GLU A 85 -14.466 -9.050 -8.367 1.00 42.11 H new ATOM 0 HG3 GLU A 85 -15.909 -9.599 -7.538 1.00 42.11 H new ATOM 1217 N GLY A 86 -16.137 -8.006 -3.213 1.00 21.43 N ATOM 1218 CA GLY A 86 -15.770 -7.899 -1.811 1.00 40.42 C ATOM 1219 C GLY A 86 -16.950 -8.304 -0.945 1.00 54.21 C ATOM 1220 O GLY A 86 -17.121 -9.492 -0.661 1.00 2.23 O ATOM 0 H GLY A 86 -16.905 -8.658 -3.375 1.00 21.43 H new ATOM 0 HA2 GLY A 86 -14.913 -8.539 -1.599 1.00 40.42 H new ATOM 0 HA3 GLY A 86 -15.470 -6.877 -1.580 1.00 40.42 H new ATOM 1224 N GLY A 87 -17.767 -7.326 -0.559 1.00 24.20 N ATOM 1225 CA GLY A 87 -18.943 -7.515 0.278 1.00 4.25 C ATOM 1226 C GLY A 87 -19.230 -6.330 1.204 1.00 60.45 C ATOM 1227 O GLY A 87 -20.159 -6.407 2.015 1.00 75.22 O ATOM 0 H GLY A 87 -17.622 -6.353 -0.829 1.00 24.20 H new ATOM 0 HA2 GLY A 87 -19.810 -7.685 -0.360 1.00 4.25 H new ATOM 0 HA3 GLY A 87 -18.810 -8.413 0.881 1.00 4.25 H new ATOM 1231 N GLY A 88 -18.454 -5.246 1.137 1.00 2.32 N ATOM 1232 CA GLY A 88 -18.620 -4.054 1.958 1.00 41.01 C ATOM 1233 C GLY A 88 -18.579 -2.798 1.098 1.00 40.03 C ATOM 1234 O GLY A 88 -18.205 -2.843 -0.075 1.00 43.00 O ATOM 0 H GLY A 88 -17.670 -5.176 0.489 1.00 2.32 H new ATOM 0 HA2 GLY A 88 -19.569 -4.104 2.493 1.00 41.01 H new ATOM 0 HA3 GLY A 88 -17.832 -4.012 2.710 1.00 41.01 H new ATOM 1238 N SER A 89 -18.976 -1.669 1.683 1.00 53.52 N ATOM 1239 CA SER A 89 -18.982 -0.383 0.996 1.00 33.54 C ATOM 1240 C SER A 89 -17.548 0.093 0.776 1.00 60.32 C ATOM 1241 O SER A 89 -16.627 -0.371 1.452 1.00 40.03 O ATOM 1242 CB SER A 89 -19.739 0.635 1.844 1.00 15.12 C ATOM 1243 OG SER A 89 -21.102 0.269 1.970 1.00 40.14 O ATOM 0 H SER A 89 -19.303 -1.623 2.648 1.00 53.52 H new ATOM 0 HA SER A 89 -19.472 -0.489 0.028 1.00 33.54 H new ATOM 0 HB2 SER A 89 -19.283 0.703 2.832 1.00 15.12 H new ATOM 0 HB3 SER A 89 -19.663 1.623 1.389 1.00 15.12 H new ATOM 0 HG SER A 89 -21.570 0.933 2.518 1.00 40.14 H new ATOM 1249 N LEU A 90 -17.372 1.096 -0.087 1.00 31.15 N ATOM 1250 CA LEU A 90 -16.067 1.662 -0.418 1.00 32.25 C ATOM 1251 C LEU A 90 -15.307 2.069 0.851 1.00 30.40 C ATOM 1252 O LEU A 90 -14.189 1.597 1.060 1.00 33.14 O ATOM 1253 CB LEU A 90 -16.280 2.845 -1.385 1.00 74.24 C ATOM 1254 CG LEU A 90 -15.137 3.058 -2.394 1.00 15.44 C ATOM 1255 CD1 LEU A 90 -15.614 3.996 -3.509 1.00 43.34 C ATOM 1256 CD2 LEU A 90 -13.860 3.616 -1.758 1.00 3.20 C ATOM 0 H LEU A 90 -18.144 1.543 -0.581 1.00 31.15 H new ATOM 0 HA LEU A 90 -15.446 0.915 -0.913 1.00 32.25 H new ATOM 0 HB2 LEU A 90 -17.208 2.686 -1.934 1.00 74.24 H new ATOM 0 HB3 LEU A 90 -16.407 3.757 -0.801 1.00 74.24 H new ATOM 0 HG LEU A 90 -14.880 2.078 -2.796 1.00 15.44 H new ATOM 0 HD11 LEU A 90 -14.807 4.149 -4.226 1.00 43.34 H new ATOM 0 HD12 LEU A 90 -16.470 3.552 -4.016 1.00 43.34 H new ATOM 0 HD13 LEU A 90 -15.904 4.955 -3.079 1.00 43.34 H new ATOM 0 HD21 LEU A 90 -13.096 3.741 -2.525 1.00 3.20 H new ATOM 0 HD22 LEU A 90 -14.074 4.581 -1.298 1.00 3.20 H new ATOM 0 HD23 LEU A 90 -13.500 2.923 -0.997 1.00 3.20 H new ATOM 1268 N SER A 91 -15.945 2.803 1.774 1.00 24.11 N ATOM 1269 CA SER A 91 -15.280 3.230 3.009 1.00 14.42 C ATOM 1270 C SER A 91 -14.999 2.054 3.968 1.00 62.02 C ATOM 1271 O SER A 91 -14.125 2.136 4.836 1.00 41.34 O ATOM 1272 CB SER A 91 -16.060 4.376 3.669 1.00 53.22 C ATOM 1273 OG SER A 91 -15.161 5.201 4.389 1.00 10.43 O ATOM 0 H SER A 91 -16.914 3.111 1.688 1.00 24.11 H new ATOM 0 HA SER A 91 -14.296 3.617 2.745 1.00 14.42 H new ATOM 0 HB2 SER A 91 -16.580 4.961 2.911 1.00 53.22 H new ATOM 0 HB3 SER A 91 -16.820 3.975 4.340 1.00 53.22 H new ATOM 0 HG SER A 91 -15.656 5.934 4.810 1.00 10.43 H new ATOM 1279 N THR A 92 -15.742 0.951 3.859 1.00 33.11 N ATOM 1280 CA THR A 92 -15.524 -0.227 4.689 1.00 30.34 C ATOM 1281 C THR A 92 -14.259 -0.914 4.148 1.00 3.51 C ATOM 1282 O THR A 92 -13.390 -1.331 4.922 1.00 24.34 O ATOM 1283 CB THR A 92 -16.767 -1.134 4.632 1.00 64.50 C ATOM 1284 OG1 THR A 92 -17.925 -0.416 5.028 1.00 2.43 O ATOM 1285 CG2 THR A 92 -16.644 -2.356 5.536 1.00 23.23 C ATOM 0 H THR A 92 -16.509 0.853 3.194 1.00 33.11 H new ATOM 0 HA THR A 92 -15.377 0.022 5.740 1.00 30.34 H new ATOM 0 HB THR A 92 -16.849 -1.468 3.598 1.00 64.50 H new ATOM 0 HG1 THR A 92 -18.706 -1.006 4.985 1.00 2.43 H new ATOM 0 HG21 THR A 92 -17.548 -2.960 5.456 1.00 23.23 H new ATOM 0 HG22 THR A 92 -15.783 -2.950 5.230 1.00 23.23 H new ATOM 0 HG23 THR A 92 -16.513 -2.033 6.569 1.00 23.23 H new ATOM 1293 N LYS A 93 -14.128 -0.995 2.815 1.00 62.22 N ATOM 1294 CA LYS A 93 -12.987 -1.601 2.142 1.00 54.22 C ATOM 1295 C LYS A 93 -11.719 -0.827 2.498 1.00 44.11 C ATOM 1296 O LYS A 93 -10.713 -1.458 2.828 1.00 33.41 O ATOM 1297 CB LYS A 93 -13.233 -1.642 0.614 1.00 23.10 C ATOM 1298 CG LYS A 93 -12.446 -2.768 -0.097 1.00 40.22 C ATOM 1299 CD LYS A 93 -13.338 -3.736 -0.901 1.00 53.33 C ATOM 1300 CE LYS A 93 -13.771 -3.199 -2.267 1.00 61.43 C ATOM 1301 NZ LYS A 93 -14.818 -3.997 -2.938 1.00 64.41 N ATOM 0 H LYS A 93 -14.830 -0.632 2.170 1.00 62.22 H new ATOM 0 HA LYS A 93 -12.858 -2.630 2.477 1.00 54.22 H new ATOM 0 HB2 LYS A 93 -14.298 -1.777 0.427 1.00 23.10 H new ATOM 0 HB3 LYS A 93 -12.953 -0.682 0.181 1.00 23.10 H new ATOM 0 HG2 LYS A 93 -11.714 -2.319 -0.769 1.00 40.22 H new ATOM 0 HG3 LYS A 93 -11.888 -3.336 0.648 1.00 40.22 H new ATOM 0 HD2 LYS A 93 -12.801 -4.673 -1.045 1.00 53.33 H new ATOM 0 HD3 LYS A 93 -14.228 -3.965 -0.314 1.00 53.33 H new ATOM 0 HE2 LYS A 93 -14.134 -2.179 -2.143 1.00 61.43 H new ATOM 0 HE3 LYS A 93 -12.897 -3.150 -2.917 1.00 61.43 H new ATOM 0 HZ1 LYS A 93 -15.159 -3.486 -3.777 1.00 64.41 H new ATOM 0 HZ2 LYS A 93 -14.423 -4.914 -3.228 1.00 64.41 H new ATOM 0 HZ3 LYS A 93 -15.610 -4.153 -2.282 1.00 64.41 H new ATOM 1315 N THR A 94 -11.757 0.514 2.485 1.00 40.15 N ATOM 1316 CA THR A 94 -10.591 1.339 2.798 1.00 1.35 C ATOM 1317 C THR A 94 -10.015 1.046 4.192 1.00 63.34 C ATOM 1318 O THR A 94 -8.789 0.967 4.339 1.00 52.51 O ATOM 1319 CB THR A 94 -10.848 2.837 2.570 1.00 55.35 C ATOM 1320 OG1 THR A 94 -11.927 3.328 3.320 1.00 75.43 O ATOM 1321 CG2 THR A 94 -11.120 3.158 1.101 1.00 44.41 C ATOM 0 H THR A 94 -12.594 1.050 2.258 1.00 40.15 H new ATOM 0 HA THR A 94 -9.819 1.051 2.085 1.00 1.35 H new ATOM 0 HB THR A 94 -9.930 3.325 2.898 1.00 55.35 H new ATOM 0 HG1 THR A 94 -12.391 2.581 3.753 1.00 75.43 H new ATOM 0 HG21 THR A 94 -11.296 4.228 0.989 1.00 44.41 H new ATOM 0 HG22 THR A 94 -10.259 2.867 0.499 1.00 44.41 H new ATOM 0 HG23 THR A 94 -12.000 2.609 0.765 1.00 44.41 H new ATOM 1329 N SER A 95 -10.864 0.835 5.203 1.00 44.45 N ATOM 1330 CA SER A 95 -10.432 0.564 6.572 1.00 41.13 C ATOM 1331 C SER A 95 -9.687 -0.767 6.695 1.00 5.23 C ATOM 1332 O SER A 95 -8.642 -0.822 7.344 1.00 0.24 O ATOM 1333 CB SER A 95 -11.650 0.609 7.494 1.00 12.44 C ATOM 1334 OG SER A 95 -11.266 0.778 8.845 1.00 71.52 O ATOM 0 H SER A 95 -11.878 0.848 5.090 1.00 44.45 H new ATOM 0 HA SER A 95 -9.720 1.334 6.870 1.00 41.13 H new ATOM 0 HB2 SER A 95 -12.305 1.427 7.195 1.00 12.44 H new ATOM 0 HB3 SER A 95 -12.223 -0.313 7.389 1.00 12.44 H new ATOM 0 HG SER A 95 -12.065 0.805 9.411 1.00 71.52 H new ATOM 1340 N SER A 96 -10.153 -1.819 6.015 1.00 15.42 N ATOM 1341 CA SER A 96 -9.542 -3.143 6.059 1.00 60.42 C ATOM 1342 C SER A 96 -8.037 -3.075 5.766 1.00 24.03 C ATOM 1343 O SER A 96 -7.231 -3.698 6.457 1.00 53.41 O ATOM 1344 CB SER A 96 -10.286 -4.039 5.067 1.00 32.40 C ATOM 1345 OG SER A 96 -9.894 -5.390 5.180 1.00 3.01 O ATOM 0 H SER A 96 -10.975 -1.770 5.413 1.00 15.42 H new ATOM 0 HA SER A 96 -9.629 -3.565 7.060 1.00 60.42 H new ATOM 0 HB2 SER A 96 -11.359 -3.957 5.239 1.00 32.40 H new ATOM 0 HB3 SER A 96 -10.098 -3.690 4.052 1.00 32.40 H new ATOM 0 HG SER A 96 -9.523 -5.695 4.326 1.00 3.01 H new ATOM 1351 N ILE A 97 -7.652 -2.300 4.752 1.00 44.41 N ATOM 1352 CA ILE A 97 -6.271 -2.101 4.332 1.00 31.31 C ATOM 1353 C ILE A 97 -5.433 -1.547 5.485 1.00 24.11 C ATOM 1354 O ILE A 97 -4.331 -2.043 5.702 1.00 2.05 O ATOM 1355 CB ILE A 97 -6.275 -1.156 3.117 1.00 2.13 C ATOM 1356 CG1 ILE A 97 -7.003 -1.817 1.927 1.00 73.41 C ATOM 1357 CG2 ILE A 97 -4.877 -0.708 2.678 1.00 0.41 C ATOM 1358 CD1 ILE A 97 -7.847 -0.777 1.185 1.00 21.52 C ATOM 0 H ILE A 97 -8.318 -1.777 4.183 1.00 44.41 H new ATOM 0 HA ILE A 97 -5.816 -3.050 4.046 1.00 31.31 H new ATOM 0 HB ILE A 97 -6.805 -0.259 3.438 1.00 2.13 H new ATOM 0 HG12 ILE A 97 -6.276 -2.260 1.246 1.00 73.41 H new ATOM 0 HG13 ILE A 97 -7.640 -2.626 2.284 1.00 73.41 H new ATOM 0 HG21 ILE A 97 -4.961 -0.045 1.817 1.00 0.41 H new ATOM 0 HG22 ILE A 97 -4.390 -0.179 3.497 1.00 0.41 H new ATOM 0 HG23 ILE A 97 -4.284 -1.581 2.407 1.00 0.41 H new ATOM 0 HD11 ILE A 97 -8.357 -1.253 0.347 1.00 21.52 H new ATOM 0 HD12 ILE A 97 -8.585 -0.354 1.866 1.00 21.52 H new ATOM 0 HD13 ILE A 97 -7.200 0.018 0.812 1.00 21.52 H new ATOM 1370 N ALA A 98 -5.926 -0.539 6.213 1.00 55.44 N ATOM 1371 CA ALA A 98 -5.200 0.064 7.328 1.00 40.12 C ATOM 1372 C ALA A 98 -4.824 -0.982 8.369 1.00 50.52 C ATOM 1373 O ALA A 98 -3.732 -0.951 8.933 1.00 21.32 O ATOM 1374 CB ALA A 98 -6.041 1.168 7.972 1.00 4.31 C ATOM 0 H ALA A 98 -6.840 -0.120 6.043 1.00 55.44 H new ATOM 0 HA ALA A 98 -4.281 0.499 6.936 1.00 40.12 H new ATOM 0 HB1 ALA A 98 -5.489 1.609 8.802 1.00 4.31 H new ATOM 0 HB2 ALA A 98 -6.260 1.937 7.232 1.00 4.31 H new ATOM 0 HB3 ALA A 98 -6.975 0.745 8.342 1.00 4.31 H new ATOM 1380 N SER A 99 -5.750 -1.901 8.620 1.00 42.24 N ATOM 1381 CA SER A 99 -5.538 -2.964 9.581 1.00 70.33 C ATOM 1382 C SER A 99 -4.553 -4.013 9.047 1.00 2.42 C ATOM 1383 O SER A 99 -3.816 -4.597 9.840 1.00 13.22 O ATOM 1384 CB SER A 99 -6.888 -3.557 9.969 1.00 1.10 C ATOM 1385 OG SER A 99 -7.577 -2.708 10.874 1.00 62.55 O ATOM 0 H SER A 99 -6.662 -1.926 8.163 1.00 42.24 H new ATOM 0 HA SER A 99 -5.074 -2.561 10.481 1.00 70.33 H new ATOM 0 HB2 SER A 99 -7.493 -3.708 9.075 1.00 1.10 H new ATOM 0 HB3 SER A 99 -6.741 -4.537 10.424 1.00 1.10 H new ATOM 0 HG SER A 99 -8.440 -3.109 11.106 1.00 62.55 H new ATOM 1391 N ALA A 100 -4.508 -4.260 7.732 1.00 53.51 N ATOM 1392 CA ALA A 100 -3.563 -5.228 7.182 1.00 31.22 C ATOM 1393 C ALA A 100 -2.147 -4.624 7.138 1.00 52.13 C ATOM 1394 O ALA A 100 -1.150 -5.329 7.295 1.00 21.45 O ATOM 1395 CB ALA A 100 -4.012 -5.638 5.779 1.00 15.01 C ATOM 0 H ALA A 100 -5.107 -3.808 7.041 1.00 53.51 H new ATOM 0 HA ALA A 100 -3.539 -6.111 7.821 1.00 31.22 H new ATOM 0 HB1 ALA A 100 -3.307 -6.361 5.368 1.00 15.01 H new ATOM 0 HB2 ALA A 100 -5.004 -6.088 5.831 1.00 15.01 H new ATOM 0 HB3 ALA A 100 -4.046 -4.758 5.136 1.00 15.01 H new ATOM 1401 N LEU A 101 -2.052 -3.305 6.924 1.00 72.22 N ATOM 1402 CA LEU A 101 -0.799 -2.560 6.841 1.00 32.43 C ATOM 1403 C LEU A 101 -0.008 -2.645 8.129 1.00 33.30 C ATOM 1404 O LEU A 101 1.202 -2.849 8.067 1.00 71.04 O ATOM 1405 CB LEU A 101 -1.054 -1.081 6.525 1.00 43.22 C ATOM 1406 CG LEU A 101 -1.320 -0.838 5.038 1.00 55.21 C ATOM 1407 CD1 LEU A 101 -1.937 0.544 4.839 1.00 41.43 C ATOM 1408 CD2 LEU A 101 -0.053 -0.912 4.196 1.00 43.31 C ATOM 0 H LEU A 101 -2.873 -2.713 6.801 1.00 72.22 H new ATOM 0 HA LEU A 101 -0.223 -3.017 6.036 1.00 32.43 H new ATOM 0 HB2 LEU A 101 -1.907 -0.730 7.106 1.00 43.22 H new ATOM 0 HB3 LEU A 101 -0.192 -0.492 6.838 1.00 43.22 H new ATOM 0 HG LEU A 101 -1.999 -1.626 4.712 1.00 55.21 H new ATOM 0 HD11 LEU A 101 -2.124 0.710 3.778 1.00 41.43 H new ATOM 0 HD12 LEU A 101 -2.877 0.605 5.387 1.00 41.43 H new ATOM 0 HD13 LEU A 101 -1.251 1.306 5.210 1.00 41.43 H new ATOM 0 HD21 LEU A 101 -0.300 -0.732 3.150 1.00 43.31 H new ATOM 0 HD22 LEU A 101 0.655 -0.156 4.537 1.00 43.31 H new ATOM 0 HD23 LEU A 101 0.395 -1.901 4.298 1.00 43.31 H new ATOM 1420 N SER A 102 -0.653 -2.483 9.285 1.00 1.23 N ATOM 1421 CA SER A 102 0.067 -2.562 10.550 1.00 62.11 C ATOM 1422 C SER A 102 0.758 -3.919 10.672 1.00 72.53 C ATOM 1423 O SER A 102 1.951 -3.972 10.974 1.00 1.41 O ATOM 1424 CB SER A 102 -0.865 -2.272 11.724 1.00 1.30 C ATOM 1425 OG SER A 102 -2.082 -2.974 11.637 1.00 54.51 O ATOM 0 H SER A 102 -1.653 -2.300 9.369 1.00 1.23 H new ATOM 0 HA SER A 102 0.842 -1.796 10.573 1.00 62.11 H new ATOM 0 HB2 SER A 102 -0.363 -2.536 12.655 1.00 1.30 H new ATOM 0 HB3 SER A 102 -1.069 -1.202 11.765 1.00 1.30 H new ATOM 0 HG SER A 102 -2.642 -2.756 12.411 1.00 54.51 H new ATOM 1431 N ASN A 103 0.044 -5.008 10.364 1.00 55.54 N ATOM 1432 CA ASN A 103 0.604 -6.353 10.437 1.00 72.24 C ATOM 1433 C ASN A 103 1.791 -6.503 9.477 1.00 22.12 C ATOM 1434 O ASN A 103 2.742 -7.225 9.768 1.00 44.34 O ATOM 1435 CB ASN A 103 -0.475 -7.417 10.179 1.00 20.00 C ATOM 1436 CG ASN A 103 -0.212 -8.630 11.062 1.00 55.53 C ATOM 1437 OD1 ASN A 103 -0.442 -8.568 12.263 1.00 65.13 O ATOM 1438 ND2 ASN A 103 0.305 -9.724 10.538 1.00 53.02 N ATOM 0 H ASN A 103 -0.929 -4.978 10.060 1.00 55.54 H new ATOM 0 HA ASN A 103 0.978 -6.511 11.448 1.00 72.24 H new ATOM 0 HB2 ASN A 103 -1.463 -7.007 10.390 1.00 20.00 H new ATOM 0 HB3 ASN A 103 -0.469 -7.710 9.129 1.00 20.00 H new ATOM 0 HD21 ASN A 103 0.516 -10.525 11.134 1.00 53.02 H new ATOM 0 HD22 ASN A 103 0.494 -9.770 9.537 1.00 53.02 H new ATOM 1445 N ALA A 104 1.760 -5.834 8.320 1.00 10.41 N ATOM 1446 CA ALA A 104 2.838 -5.869 7.333 1.00 30.42 C ATOM 1447 C ALA A 104 4.070 -5.120 7.869 1.00 73.34 C ATOM 1448 O ALA A 104 5.213 -5.560 7.716 1.00 2.43 O ATOM 1449 CB ALA A 104 2.342 -5.240 6.024 1.00 14.20 C ATOM 0 H ALA A 104 0.974 -5.246 8.041 1.00 10.41 H new ATOM 0 HA ALA A 104 3.129 -6.902 7.142 1.00 30.42 H new ATOM 0 HB1 ALA A 104 3.141 -5.263 5.283 1.00 14.20 H new ATOM 0 HB2 ALA A 104 1.486 -5.803 5.651 1.00 14.20 H new ATOM 0 HB3 ALA A 104 2.046 -4.207 6.206 1.00 14.20 H new ATOM 1455 N PHE A 105 3.847 -3.971 8.512 1.00 61.24 N ATOM 1456 CA PHE A 105 4.915 -3.160 9.079 1.00 2.43 C ATOM 1457 C PHE A 105 5.614 -3.948 10.202 1.00 24.02 C ATOM 1458 O PHE A 105 6.846 -3.971 10.281 1.00 5.24 O ATOM 1459 CB PHE A 105 4.369 -1.790 9.525 1.00 34.43 C ATOM 1460 CG PHE A 105 5.229 -0.604 9.103 1.00 25.24 C ATOM 1461 CD1 PHE A 105 6.636 -0.676 9.146 1.00 31.53 C ATOM 1462 CD2 PHE A 105 4.625 0.588 8.659 1.00 62.52 C ATOM 1463 CE1 PHE A 105 7.427 0.414 8.743 1.00 63.44 C ATOM 1464 CE2 PHE A 105 5.416 1.684 8.267 1.00 51.12 C ATOM 1465 CZ PHE A 105 6.818 1.599 8.304 1.00 13.14 C ATOM 0 H PHE A 105 2.915 -3.580 8.652 1.00 61.24 H new ATOM 0 HA PHE A 105 5.673 -2.945 8.326 1.00 2.43 H new ATOM 0 HB2 PHE A 105 3.367 -1.661 9.116 1.00 34.43 H new ATOM 0 HB3 PHE A 105 4.273 -1.786 10.611 1.00 34.43 H new ATOM 0 HD1 PHE A 105 7.113 -1.581 9.493 1.00 31.53 H new ATOM 0 HD2 PHE A 105 3.548 0.662 8.619 1.00 62.52 H new ATOM 0 HE1 PHE A 105 8.504 0.339 8.771 1.00 63.44 H new ATOM 0 HE2 PHE A 105 4.942 2.596 7.936 1.00 51.12 H new ATOM 0 HZ PHE A 105 7.422 2.440 7.997 1.00 13.14 H new ATOM 1475 N LEU A 106 4.843 -4.670 11.025 1.00 43.02 N ATOM 1476 CA LEU A 106 5.363 -5.488 12.113 1.00 70.21 C ATOM 1477 C LEU A 106 6.285 -6.573 11.562 1.00 14.13 C ATOM 1478 O LEU A 106 7.402 -6.724 12.050 1.00 21.23 O ATOM 1479 CB LEU A 106 4.203 -6.136 12.906 1.00 12.12 C ATOM 1480 CG LEU A 106 3.826 -5.431 14.219 1.00 52.31 C ATOM 1481 CD1 LEU A 106 4.987 -5.459 15.209 1.00 14.22 C ATOM 1482 CD2 LEU A 106 3.386 -3.982 14.018 1.00 21.01 C ATOM 0 H LEU A 106 3.826 -4.698 10.947 1.00 43.02 H new ATOM 0 HA LEU A 106 5.931 -4.846 12.786 1.00 70.21 H new ATOM 0 HB2 LEU A 106 3.322 -6.169 12.265 1.00 12.12 H new ATOM 0 HB3 LEU A 106 4.472 -7.168 13.132 1.00 12.12 H new ATOM 0 HG LEU A 106 2.978 -5.988 14.617 1.00 52.31 H new ATOM 0 HD11 LEU A 106 4.693 -4.954 16.129 1.00 14.22 H new ATOM 0 HD12 LEU A 106 5.251 -6.493 15.431 1.00 14.22 H new ATOM 0 HD13 LEU A 106 5.848 -4.951 14.775 1.00 14.22 H new ATOM 0 HD21 LEU A 106 3.134 -3.541 14.982 1.00 21.01 H new ATOM 0 HD22 LEU A 106 4.197 -3.415 13.561 1.00 21.01 H new ATOM 0 HD23 LEU A 106 2.512 -3.954 13.367 1.00 21.01 H new ATOM 1494 N GLN A 107 5.853 -7.312 10.541 1.00 43.03 N ATOM 1495 CA GLN A 107 6.666 -8.377 9.961 1.00 25.24 C ATOM 1496 C GLN A 107 7.955 -7.869 9.293 1.00 1.22 C ATOM 1497 O GLN A 107 8.928 -8.620 9.210 1.00 33.50 O ATOM 1498 CB GLN A 107 5.812 -9.186 8.973 1.00 64.11 C ATOM 1499 CG GLN A 107 4.696 -10.002 9.643 1.00 74.14 C ATOM 1500 CD GLN A 107 5.224 -10.974 10.693 1.00 43.34 C ATOM 1501 OE1 GLN A 107 6.134 -11.755 10.431 1.00 41.14 O ATOM 1502 NE2 GLN A 107 4.665 -10.963 11.890 1.00 51.42 N ATOM 0 H GLN A 107 4.942 -7.191 10.098 1.00 43.03 H new ATOM 0 HA GLN A 107 6.996 -9.018 10.779 1.00 25.24 H new ATOM 0 HB2 GLN A 107 5.366 -8.504 8.249 1.00 64.11 H new ATOM 0 HB3 GLN A 107 6.460 -9.863 8.416 1.00 64.11 H new ATOM 0 HG2 GLN A 107 3.984 -9.321 10.110 1.00 74.14 H new ATOM 0 HG3 GLN A 107 4.151 -10.559 8.880 1.00 74.14 H new ATOM 0 HE21 GLN A 107 3.910 -10.309 12.094 1.00 51.42 H new ATOM 0 HE22 GLN A 107 4.989 -11.609 12.610 1.00 51.42 H new ATOM 1511 N THR A 108 8.020 -6.599 8.882 1.00 12.40 N ATOM 1512 CA THR A 108 9.205 -6.065 8.229 1.00 51.42 C ATOM 1513 C THR A 108 10.197 -5.427 9.197 1.00 51.43 C ATOM 1514 O THR A 108 11.369 -5.811 9.203 1.00 21.42 O ATOM 1515 CB THR A 108 8.807 -5.069 7.130 1.00 22.10 C ATOM 1516 OG1 THR A 108 7.759 -4.203 7.523 1.00 25.30 O ATOM 1517 CG2 THR A 108 8.335 -5.783 5.874 1.00 4.45 C ATOM 0 H THR A 108 7.262 -5.926 8.993 1.00 12.40 H new ATOM 0 HA THR A 108 9.720 -6.915 7.782 1.00 51.42 H new ATOM 0 HB THR A 108 9.711 -4.491 6.939 1.00 22.10 H new ATOM 0 HG1 THR A 108 6.907 -4.687 7.496 1.00 25.30 H new ATOM 0 HG21 THR A 108 8.062 -5.047 5.118 1.00 4.45 H new ATOM 0 HG22 THR A 108 9.137 -6.415 5.492 1.00 4.45 H new ATOM 0 HG23 THR A 108 7.468 -6.400 6.110 1.00 4.45 H new ATOM 1525 N THR A 109 9.760 -4.480 10.030 1.00 22.03 N ATOM 1526 CA THR A 109 10.639 -3.767 10.964 1.00 44.35 C ATOM 1527 C THR A 109 10.200 -3.834 12.429 1.00 14.22 C ATOM 1528 O THR A 109 10.814 -3.190 13.280 1.00 61.12 O ATOM 1529 CB THR A 109 10.814 -2.322 10.451 1.00 22.43 C ATOM 1530 OG1 THR A 109 9.562 -1.750 10.140 1.00 3.25 O ATOM 1531 CG2 THR A 109 11.654 -2.255 9.173 1.00 60.25 C ATOM 0 H THR A 109 8.785 -4.184 10.077 1.00 22.03 H new ATOM 0 HA THR A 109 11.603 -4.275 10.979 1.00 44.35 H new ATOM 0 HB THR A 109 11.316 -1.781 11.253 1.00 22.43 H new ATOM 0 HG1 THR A 109 9.673 -0.791 9.972 1.00 3.25 H new ATOM 0 HG21 THR A 109 11.747 -1.217 8.853 1.00 60.25 H new ATOM 0 HG22 THR A 109 12.645 -2.666 9.367 1.00 60.25 H new ATOM 0 HG23 THR A 109 11.169 -2.834 8.388 1.00 60.25 H new ATOM 1539 N GLY A 110 9.137 -4.572 12.753 1.00 52.22 N ATOM 1540 CA GLY A 110 8.660 -4.704 14.123 1.00 74.34 C ATOM 1541 C GLY A 110 8.019 -3.440 14.693 1.00 72.24 C ATOM 1542 O GLY A 110 7.705 -3.431 15.884 1.00 63.24 O ATOM 0 H GLY A 110 8.586 -5.093 12.071 1.00 52.22 H new ATOM 0 HA2 GLY A 110 7.934 -5.516 14.165 1.00 74.34 H new ATOM 0 HA3 GLY A 110 9.497 -4.991 14.760 1.00 74.34 H new ATOM 1546 N VAL A 111 7.782 -2.406 13.880 1.00 62.22 N ATOM 1547 CA VAL A 111 7.180 -1.144 14.290 1.00 34.34 C ATOM 1548 C VAL A 111 5.989 -0.818 13.399 1.00 64.25 C ATOM 1549 O VAL A 111 6.001 -1.129 12.209 1.00 34.25 O ATOM 1550 CB VAL A 111 8.214 0.007 14.227 1.00 4.14 C ATOM 1551 CG1 VAL A 111 9.231 -0.088 15.362 1.00 22.21 C ATOM 1552 CG2 VAL A 111 9.005 0.089 12.908 1.00 33.14 C ATOM 0 H VAL A 111 8.013 -2.430 12.887 1.00 62.22 H new ATOM 0 HA VAL A 111 6.841 -1.248 15.321 1.00 34.34 H new ATOM 0 HB VAL A 111 7.603 0.905 14.313 1.00 4.14 H new ATOM 0 HG11 VAL A 111 9.940 0.736 15.285 1.00 22.21 H new ATOM 0 HG12 VAL A 111 8.714 -0.033 16.320 1.00 22.21 H new ATOM 0 HG13 VAL A 111 9.766 -1.035 15.293 1.00 22.21 H new ATOM 0 HG21 VAL A 111 9.704 0.924 12.955 1.00 33.14 H new ATOM 0 HG22 VAL A 111 9.557 -0.839 12.756 1.00 33.14 H new ATOM 0 HG23 VAL A 111 8.314 0.240 12.078 1.00 33.14 H new ATOM 1562 N VAL A 112 4.974 -0.155 13.944 1.00 35.31 N ATOM 1563 CA VAL A 112 3.775 0.280 13.234 1.00 55.41 C ATOM 1564 C VAL A 112 3.712 1.792 13.452 1.00 42.24 C ATOM 1565 O VAL A 112 3.978 2.256 14.561 1.00 23.14 O ATOM 1566 CB VAL A 112 2.520 -0.490 13.700 1.00 33.25 C ATOM 1567 CG1 VAL A 112 2.381 -0.618 15.217 1.00 63.51 C ATOM 1568 CG2 VAL A 112 1.233 0.138 13.165 1.00 21.11 C ATOM 0 H VAL A 112 4.963 0.104 14.930 1.00 35.31 H new ATOM 0 HA VAL A 112 3.812 0.060 12.167 1.00 55.41 H new ATOM 0 HB VAL A 112 2.665 -1.489 13.288 1.00 33.25 H new ATOM 0 HG11 VAL A 112 1.473 -1.172 15.454 1.00 63.51 H new ATOM 0 HG12 VAL A 112 3.245 -1.148 15.618 1.00 63.51 H new ATOM 0 HG13 VAL A 112 2.326 0.375 15.662 1.00 63.51 H new ATOM 0 HG21 VAL A 112 0.375 -0.435 13.517 1.00 21.11 H new ATOM 0 HG22 VAL A 112 1.154 1.165 13.521 1.00 21.11 H new ATOM 0 HG23 VAL A 112 1.251 0.132 12.075 1.00 21.11 H new ATOM 1578 N ASN A 113 3.343 2.564 12.426 1.00 62.10 N ATOM 1579 CA ASN A 113 3.261 4.017 12.508 1.00 3.13 C ATOM 1580 C ASN A 113 1.855 4.464 12.166 1.00 11.23 C ATOM 1581 O ASN A 113 1.453 4.471 11.003 1.00 10.42 O ATOM 1582 CB ASN A 113 4.343 4.683 11.649 1.00 31.30 C ATOM 1583 CG ASN A 113 5.554 4.938 12.529 1.00 54.51 C ATOM 1584 OD1 ASN A 113 5.701 6.033 13.056 1.00 31.04 O ATOM 1585 ND2 ASN A 113 6.401 3.952 12.751 1.00 14.03 N ATOM 0 H ASN A 113 3.092 2.191 11.510 1.00 62.10 H new ATOM 0 HA ASN A 113 3.463 4.341 13.529 1.00 3.13 H new ATOM 0 HB2 ASN A 113 4.611 4.041 10.810 1.00 31.30 H new ATOM 0 HB3 ASN A 113 3.973 5.619 11.230 1.00 31.30 H new ATOM 0 HD21 ASN A 113 7.197 4.094 13.372 1.00 14.03 H new ATOM 0 HD22 ASN A 113 6.260 3.047 12.302 1.00 14.03 H new ATOM 1592 N GLN A 114 1.103 4.826 13.203 1.00 33.11 N ATOM 1593 CA GLN A 114 -0.279 5.280 13.115 1.00 33.14 C ATOM 1594 C GLN A 114 -0.526 6.345 12.026 1.00 62.04 C ATOM 1595 O GLN A 114 -1.400 6.099 11.187 1.00 11.41 O ATOM 1596 CB GLN A 114 -0.759 5.728 14.505 1.00 33.31 C ATOM 1597 CG GLN A 114 -0.836 4.549 15.490 1.00 11.12 C ATOM 1598 CD GLN A 114 -1.432 4.926 16.848 1.00 60.13 C ATOM 1599 OE1 GLN A 114 -0.782 4.788 17.888 1.00 1.33 O ATOM 1600 NE2 GLN A 114 -2.690 5.334 16.886 1.00 45.55 N ATOM 0 H GLN A 114 1.454 4.810 14.161 1.00 33.11 H new ATOM 0 HA GLN A 114 -0.881 4.432 12.788 1.00 33.14 H new ATOM 0 HB2 GLN A 114 -0.080 6.486 14.897 1.00 33.31 H new ATOM 0 HB3 GLN A 114 -1.741 6.194 14.418 1.00 33.31 H new ATOM 0 HG2 GLN A 114 -1.436 3.754 15.047 1.00 11.12 H new ATOM 0 HG3 GLN A 114 0.165 4.146 15.641 1.00 11.12 H new ATOM 0 HE21 GLN A 114 -3.217 5.444 16.020 1.00 45.55 H new ATOM 0 HE22 GLN A 114 -3.133 5.538 17.782 1.00 45.55 H new ATOM 1609 N PRO A 115 0.201 7.483 11.958 1.00 21.52 N ATOM 1610 CA PRO A 115 -0.047 8.492 10.931 1.00 12.23 C ATOM 1611 C PRO A 115 0.377 8.039 9.532 1.00 4.04 C ATOM 1612 O PRO A 115 -0.198 8.515 8.552 1.00 63.45 O ATOM 1613 CB PRO A 115 0.721 9.737 11.370 1.00 42.31 C ATOM 1614 CG PRO A 115 1.885 9.160 12.172 1.00 0.41 C ATOM 1615 CD PRO A 115 1.260 7.941 12.849 1.00 4.20 C ATOM 0 HA PRO A 115 -1.116 8.685 10.845 1.00 12.23 H new ATOM 0 HB2 PRO A 115 1.069 10.318 10.516 1.00 42.31 H new ATOM 0 HB3 PRO A 115 0.103 10.399 11.976 1.00 42.31 H new ATOM 0 HG2 PRO A 115 2.720 8.882 11.529 1.00 0.41 H new ATOM 0 HG3 PRO A 115 2.268 9.875 12.900 1.00 0.41 H new ATOM 0 HD2 PRO A 115 2.003 7.159 13.006 1.00 4.20 H new ATOM 0 HD3 PRO A 115 0.860 8.202 13.829 1.00 4.20 H new ATOM 1623 N PHE A 116 1.366 7.144 9.423 1.00 3.24 N ATOM 1624 CA PHE A 116 1.832 6.638 8.138 1.00 60.35 C ATOM 1625 C PHE A 116 0.711 5.797 7.510 1.00 52.20 C ATOM 1626 O PHE A 116 0.471 5.863 6.308 1.00 12.20 O ATOM 1627 CB PHE A 116 3.146 5.864 8.323 1.00 34.33 C ATOM 1628 CG PHE A 116 3.828 5.518 7.016 1.00 22.30 C ATOM 1629 CD1 PHE A 116 3.605 4.267 6.419 1.00 3.21 C ATOM 1630 CD2 PHE A 116 4.657 6.454 6.371 1.00 62.31 C ATOM 1631 CE1 PHE A 116 4.161 3.971 5.164 1.00 25.40 C ATOM 1632 CE2 PHE A 116 5.224 6.149 5.119 1.00 72.52 C ATOM 1633 CZ PHE A 116 4.969 4.911 4.509 1.00 11.21 C ATOM 0 H PHE A 116 1.861 6.754 10.225 1.00 3.24 H new ATOM 0 HA PHE A 116 2.057 7.454 7.451 1.00 60.35 H new ATOM 0 HB2 PHE A 116 3.826 6.458 8.933 1.00 34.33 H new ATOM 0 HB3 PHE A 116 2.944 4.945 8.873 1.00 34.33 H new ATOM 0 HD1 PHE A 116 3.003 3.529 6.928 1.00 3.21 H new ATOM 0 HD2 PHE A 116 4.859 7.407 6.837 1.00 62.31 H new ATOM 0 HE1 PHE A 116 3.965 3.015 4.701 1.00 25.40 H new ATOM 0 HE2 PHE A 116 5.858 6.871 4.626 1.00 72.52 H new ATOM 0 HZ PHE A 116 5.392 4.684 3.542 1.00 11.21 H new ATOM 1643 N ILE A 117 -0.017 5.026 8.321 1.00 12.31 N ATOM 1644 CA ILE A 117 -1.134 4.209 7.850 1.00 13.42 C ATOM 1645 C ILE A 117 -2.319 5.147 7.575 1.00 53.24 C ATOM 1646 O ILE A 117 -3.056 4.956 6.600 1.00 11.43 O ATOM 1647 CB ILE A 117 -1.450 3.115 8.890 1.00 32.05 C ATOM 1648 CG1 ILE A 117 -0.248 2.155 9.009 1.00 34.24 C ATOM 1649 CG2 ILE A 117 -2.684 2.295 8.484 1.00 1.22 C ATOM 1650 CD1 ILE A 117 -0.322 1.249 10.232 1.00 21.13 C ATOM 0 H ILE A 117 0.153 4.952 9.324 1.00 12.31 H new ATOM 0 HA ILE A 117 -0.893 3.688 6.924 1.00 13.42 H new ATOM 0 HB ILE A 117 -1.650 3.608 9.841 1.00 32.05 H new ATOM 0 HG12 ILE A 117 -0.193 1.539 8.111 1.00 34.24 H new ATOM 0 HG13 ILE A 117 0.672 2.738 9.052 1.00 34.24 H new ATOM 0 HG21 ILE A 117 -2.879 1.533 9.239 1.00 1.22 H new ATOM 0 HG22 ILE A 117 -3.548 2.954 8.403 1.00 1.22 H new ATOM 0 HG23 ILE A 117 -2.502 1.815 7.522 1.00 1.22 H new ATOM 0 HD11 ILE A 117 0.553 0.599 10.257 1.00 21.13 H new ATOM 0 HD12 ILE A 117 -0.347 1.858 11.135 1.00 21.13 H new ATOM 0 HD13 ILE A 117 -1.225 0.641 10.180 1.00 21.13 H new ATOM 1662 N ASN A 118 -2.491 6.177 8.416 1.00 63.35 N ATOM 1663 CA ASN A 118 -3.562 7.157 8.285 1.00 34.21 C ATOM 1664 C ASN A 118 -3.494 7.849 6.931 1.00 31.23 C ATOM 1665 O ASN A 118 -4.533 8.068 6.315 1.00 52.40 O ATOM 1666 CB ASN A 118 -3.506 8.197 9.410 1.00 0.34 C ATOM 1667 CG ASN A 118 -4.799 8.996 9.470 1.00 74.04 C ATOM 1668 OD1 ASN A 118 -5.812 8.494 9.940 1.00 30.23 O ATOM 1669 ND2 ASN A 118 -4.815 10.242 9.036 1.00 25.21 N ATOM 0 H ASN A 118 -1.879 6.349 9.214 1.00 63.35 H new ATOM 0 HA ASN A 118 -4.509 6.622 8.361 1.00 34.21 H new ATOM 0 HB2 ASN A 118 -3.336 7.699 10.364 1.00 0.34 H new ATOM 0 HB3 ASN A 118 -2.664 8.870 9.248 1.00 0.34 H new ATOM 0 HD21 ASN A 118 -5.673 10.790 9.091 1.00 25.21 H new ATOM 0 HD22 ASN A 118 -3.969 10.657 8.645 1.00 25.21 H new ATOM 1676 N GLU A 119 -2.289 8.147 6.442 1.00 1.21 N ATOM 1677 CA GLU A 119 -2.114 8.818 5.163 1.00 64.23 C ATOM 1678 C GLU A 119 -2.733 7.998 4.022 1.00 52.32 C ATOM 1679 O GLU A 119 -3.450 8.558 3.190 1.00 23.54 O ATOM 1680 CB GLU A 119 -0.633 9.195 4.946 1.00 41.42 C ATOM 1681 CG GLU A 119 0.163 8.289 3.994 1.00 3.20 C ATOM 1682 CD GLU A 119 1.653 8.644 3.968 1.00 11.34 C ATOM 1683 OE1 GLU A 119 2.021 9.836 4.107 1.00 3.33 O ATOM 1684 OE2 GLU A 119 2.508 7.765 3.732 1.00 60.02 O ATOM 0 H GLU A 119 -1.415 7.930 6.921 1.00 1.21 H new ATOM 0 HA GLU A 119 -2.661 9.761 5.169 1.00 64.23 H new ATOM 0 HB2 GLU A 119 -0.591 10.215 4.564 1.00 41.42 H new ATOM 0 HB3 GLU A 119 -0.134 9.197 5.915 1.00 41.42 H new ATOM 0 HG2 GLU A 119 0.044 7.250 4.300 1.00 3.20 H new ATOM 0 HG3 GLU A 119 -0.247 8.374 2.987 1.00 3.20 H new ATOM 1691 N ILE A 120 -2.513 6.676 4.020 1.00 61.21 N ATOM 1692 CA ILE A 120 -3.029 5.766 3.003 1.00 11.25 C ATOM 1693 C ILE A 120 -4.557 5.768 3.021 1.00 51.44 C ATOM 1694 O ILE A 120 -5.158 5.653 1.954 1.00 30.54 O ATOM 1695 CB ILE A 120 -2.468 4.335 3.191 1.00 52.05 C ATOM 1696 CG1 ILE A 120 -0.930 4.242 3.215 1.00 72.34 C ATOM 1697 CG2 ILE A 120 -3.026 3.336 2.159 1.00 63.23 C ATOM 1698 CD1 ILE A 120 -0.169 4.629 1.944 1.00 53.13 C ATOM 0 H ILE A 120 -1.962 6.207 4.739 1.00 61.21 H new ATOM 0 HA ILE A 120 -2.695 6.118 2.027 1.00 11.25 H new ATOM 0 HB ILE A 120 -2.819 4.059 4.185 1.00 52.05 H new ATOM 0 HG12 ILE A 120 -0.569 4.874 4.026 1.00 72.34 H new ATOM 0 HG13 ILE A 120 -0.661 3.216 3.467 1.00 72.34 H new ATOM 0 HG21 ILE A 120 -2.598 2.350 2.339 1.00 63.23 H new ATOM 0 HG22 ILE A 120 -4.111 3.284 2.253 1.00 63.23 H new ATOM 0 HG23 ILE A 120 -2.764 3.667 1.154 1.00 63.23 H new ATOM 0 HD11 ILE A 120 0.902 4.513 2.112 1.00 53.13 H new ATOM 0 HD12 ILE A 120 -0.480 3.983 1.123 1.00 53.13 H new ATOM 0 HD13 ILE A 120 -0.387 5.667 1.691 1.00 53.13 H new ATOM 1710 N THR A 121 -5.192 5.914 4.191 1.00 42.21 N ATOM 1711 CA THR A 121 -6.657 5.900 4.252 1.00 43.54 C ATOM 1712 C THR A 121 -7.259 6.963 3.332 1.00 4.14 C ATOM 1713 O THR A 121 -8.250 6.691 2.650 1.00 63.30 O ATOM 1714 CB THR A 121 -7.206 5.953 5.692 1.00 60.32 C ATOM 1715 OG1 THR A 121 -6.960 7.138 6.423 1.00 71.15 O ATOM 1716 CG2 THR A 121 -6.691 4.775 6.520 1.00 5.53 C ATOM 0 H THR A 121 -4.726 6.040 5.089 1.00 42.21 H new ATOM 0 HA THR A 121 -6.984 4.932 3.871 1.00 43.54 H new ATOM 0 HB THR A 121 -8.284 5.911 5.537 1.00 60.32 H new ATOM 0 HG1 THR A 121 -6.102 7.522 6.145 1.00 71.15 H new ATOM 0 HG21 THR A 121 -7.094 4.837 7.531 1.00 5.53 H new ATOM 0 HG22 THR A 121 -7.009 3.840 6.060 1.00 5.53 H new ATOM 0 HG23 THR A 121 -5.602 4.807 6.560 1.00 5.53 H new ATOM 1724 N GLN A 122 -6.659 8.156 3.333 1.00 25.44 N ATOM 1725 CA GLN A 122 -7.060 9.285 2.517 1.00 1.24 C ATOM 1726 C GLN A 122 -6.660 9.108 1.043 1.00 41.04 C ATOM 1727 O GLN A 122 -7.385 9.571 0.167 1.00 73.10 O ATOM 1728 CB GLN A 122 -6.506 10.563 3.153 1.00 13.21 C ATOM 1729 CG GLN A 122 -7.270 10.952 4.434 1.00 34.23 C ATOM 1730 CD GLN A 122 -8.710 11.397 4.164 1.00 72.20 C ATOM 1731 OE1 GLN A 122 -8.978 12.096 3.193 1.00 60.44 O ATOM 1732 NE2 GLN A 122 -9.661 11.047 5.018 1.00 23.35 N ATOM 0 H GLN A 122 -5.854 8.361 3.925 1.00 25.44 H new ATOM 0 HA GLN A 122 -8.147 9.357 2.493 1.00 1.24 H new ATOM 0 HB2 GLN A 122 -5.451 10.422 3.389 1.00 13.21 H new ATOM 0 HB3 GLN A 122 -6.565 11.380 2.434 1.00 13.21 H new ATOM 0 HG2 GLN A 122 -7.281 10.101 5.116 1.00 34.23 H new ATOM 0 HG3 GLN A 122 -6.736 11.757 4.938 1.00 34.23 H new ATOM 0 HE21 GLN A 122 -9.433 10.465 5.824 1.00 23.35 H new ATOM 0 HE22 GLN A 122 -10.621 11.359 4.869 1.00 23.35 H new ATOM 1741 N LEU A 123 -5.529 8.460 0.725 1.00 53.54 N ATOM 1742 CA LEU A 123 -5.094 8.231 -0.651 1.00 2.21 C ATOM 1743 C LEU A 123 -6.099 7.371 -1.416 1.00 41.31 C ATOM 1744 O LEU A 123 -6.451 7.711 -2.543 1.00 42.02 O ATOM 1745 CB LEU A 123 -3.750 7.483 -0.671 1.00 22.45 C ATOM 1746 CG LEU A 123 -2.443 8.280 -0.761 1.00 54.53 C ATOM 1747 CD1 LEU A 123 -2.498 9.624 -0.085 1.00 62.14 C ATOM 1748 CD2 LEU A 123 -1.251 7.564 -0.108 1.00 1.24 C ATOM 0 H LEU A 123 -4.890 8.080 1.424 1.00 53.54 H new ATOM 0 HA LEU A 123 -5.004 9.210 -1.121 1.00 2.21 H new ATOM 0 HB2 LEU A 123 -3.701 6.876 0.233 1.00 22.45 H new ATOM 0 HB3 LEU A 123 -3.772 6.795 -1.516 1.00 22.45 H new ATOM 0 HG LEU A 123 -2.313 8.387 -1.838 1.00 54.53 H new ATOM 0 HD11 LEU A 123 -1.536 10.125 -0.193 1.00 62.14 H new ATOM 0 HD12 LEU A 123 -3.277 10.231 -0.546 1.00 62.14 H new ATOM 0 HD13 LEU A 123 -2.721 9.490 0.974 1.00 62.14 H new ATOM 0 HD21 LEU A 123 -0.358 8.181 -0.206 1.00 1.24 H new ATOM 0 HD22 LEU A 123 -1.462 7.396 0.948 1.00 1.24 H new ATOM 0 HD23 LEU A 123 -1.087 6.606 -0.602 1.00 1.24 H new ATOM 1760 N VAL A 124 -6.541 6.252 -0.834 1.00 45.12 N ATOM 1761 CA VAL A 124 -7.482 5.365 -1.502 1.00 52.30 C ATOM 1762 C VAL A 124 -8.795 6.106 -1.797 1.00 64.13 C ATOM 1763 O VAL A 124 -9.269 6.053 -2.934 1.00 31.23 O ATOM 1764 CB VAL A 124 -7.705 4.094 -0.669 1.00 3.23 C ATOM 1765 CG1 VAL A 124 -8.511 3.052 -1.457 1.00 3.21 C ATOM 1766 CG2 VAL A 124 -6.410 3.374 -0.246 1.00 71.14 C ATOM 0 H VAL A 124 -6.259 5.944 0.097 1.00 45.12 H new ATOM 0 HA VAL A 124 -7.064 5.053 -2.459 1.00 52.30 H new ATOM 0 HB VAL A 124 -8.227 4.455 0.217 1.00 3.23 H new ATOM 0 HG11 VAL A 124 -8.654 2.163 -0.843 1.00 3.21 H new ATOM 0 HG12 VAL A 124 -9.482 3.469 -1.724 1.00 3.21 H new ATOM 0 HG13 VAL A 124 -7.970 2.784 -2.364 1.00 3.21 H new ATOM 0 HG21 VAL A 124 -6.660 2.488 0.338 1.00 71.14 H new ATOM 0 HG22 VAL A 124 -5.852 3.078 -1.134 1.00 71.14 H new ATOM 0 HG23 VAL A 124 -5.801 4.046 0.358 1.00 71.14 H new ATOM 1776 N SER A 125 -9.399 6.783 -0.812 1.00 31.14 N ATOM 1777 CA SER A 125 -10.643 7.510 -1.044 1.00 21.30 C ATOM 1778 C SER A 125 -10.419 8.632 -2.058 1.00 30.41 C ATOM 1779 O SER A 125 -11.263 8.847 -2.924 1.00 70.31 O ATOM 1780 CB SER A 125 -11.241 8.002 0.274 1.00 42.14 C ATOM 1781 OG SER A 125 -10.258 8.536 1.134 1.00 10.05 O ATOM 0 H SER A 125 -9.046 6.840 0.143 1.00 31.14 H new ATOM 0 HA SER A 125 -11.380 6.834 -1.478 1.00 21.30 H new ATOM 0 HB2 SER A 125 -11.995 8.762 0.069 1.00 42.14 H new ATOM 0 HB3 SER A 125 -11.749 7.176 0.772 1.00 42.14 H new ATOM 0 HG SER A 125 -9.519 8.898 0.602 1.00 10.05 H new ATOM 1787 N MET A 126 -9.267 9.305 -2.013 1.00 2.15 N ATOM 1788 CA MET A 126 -8.925 10.376 -2.936 1.00 21.14 C ATOM 1789 C MET A 126 -8.931 9.845 -4.362 1.00 31.45 C ATOM 1790 O MET A 126 -9.517 10.491 -5.230 1.00 51.02 O ATOM 1791 CB MET A 126 -7.564 10.966 -2.565 1.00 10.03 C ATOM 1792 CG MET A 126 -7.057 12.038 -3.532 1.00 64.53 C ATOM 1793 SD MET A 126 -5.431 12.694 -3.067 1.00 51.12 S ATOM 1794 CE MET A 126 -4.378 11.330 -3.604 1.00 53.33 C ATOM 0 H MET A 126 -8.540 9.115 -1.324 1.00 2.15 H new ATOM 0 HA MET A 126 -9.666 11.172 -2.868 1.00 21.14 H new ATOM 0 HB2 MET A 126 -7.628 11.396 -1.565 1.00 10.03 H new ATOM 0 HB3 MET A 126 -6.832 10.160 -2.519 1.00 10.03 H new ATOM 0 HG2 MET A 126 -7.000 11.617 -4.536 1.00 64.53 H new ATOM 0 HG3 MET A 126 -7.776 12.856 -3.570 1.00 64.53 H new ATOM 0 HE1 MET A 126 -3.738 11.017 -2.779 1.00 53.33 H new ATOM 0 HE2 MET A 126 -5.000 10.492 -3.918 1.00 53.33 H new ATOM 0 HE3 MET A 126 -3.759 11.656 -4.440 1.00 53.33 H new ATOM 1804 N PHE A 127 -8.304 8.691 -4.624 1.00 44.14 N ATOM 1805 CA PHE A 127 -8.303 8.186 -5.993 1.00 61.52 C ATOM 1806 C PHE A 127 -9.713 7.731 -6.383 1.00 23.14 C ATOM 1807 O PHE A 127 -10.156 7.983 -7.506 1.00 55.11 O ATOM 1808 CB PHE A 127 -7.268 7.069 -6.172 1.00 24.23 C ATOM 1809 CG PHE A 127 -7.108 6.576 -7.606 1.00 71.32 C ATOM 1810 CD1 PHE A 127 -5.991 6.970 -8.367 1.00 52.43 C ATOM 1811 CD2 PHE A 127 -8.061 5.716 -8.192 1.00 44.02 C ATOM 1812 CE1 PHE A 127 -5.809 6.484 -9.676 1.00 12.23 C ATOM 1813 CE2 PHE A 127 -7.887 5.242 -9.503 1.00 61.05 C ATOM 1814 CZ PHE A 127 -6.758 5.620 -10.246 1.00 42.33 C ATOM 0 H PHE A 127 -7.814 8.116 -3.939 1.00 44.14 H new ATOM 0 HA PHE A 127 -8.011 8.992 -6.666 1.00 61.52 H new ATOM 0 HB2 PHE A 127 -6.302 7.426 -5.814 1.00 24.23 H new ATOM 0 HB3 PHE A 127 -7.550 6.226 -5.541 1.00 24.23 H new ATOM 0 HD1 PHE A 127 -5.268 7.651 -7.943 1.00 52.43 H new ATOM 0 HD2 PHE A 127 -8.932 5.419 -7.627 1.00 44.02 H new ATOM 0 HE1 PHE A 127 -4.938 6.776 -10.243 1.00 12.23 H new ATOM 0 HE2 PHE A 127 -8.624 4.585 -9.940 1.00 61.05 H new ATOM 0 HZ PHE A 127 -6.620 5.248 -11.251 1.00 42.33 H new ATOM 1824 N ALA A 128 -10.434 7.093 -5.460 1.00 33.24 N ATOM 1825 CA ALA A 128 -11.774 6.584 -5.694 1.00 32.20 C ATOM 1826 C ALA A 128 -12.844 7.640 -5.962 1.00 62.21 C ATOM 1827 O ALA A 128 -13.706 7.408 -6.808 1.00 22.55 O ATOM 1828 CB ALA A 128 -12.227 5.761 -4.484 1.00 32.12 C ATOM 0 H ALA A 128 -10.092 6.916 -4.515 1.00 33.24 H new ATOM 0 HA ALA A 128 -11.687 5.991 -6.605 1.00 32.20 H new ATOM 0 HB1 ALA A 128 -13.233 5.379 -4.660 1.00 32.12 H new ATOM 0 HB2 ALA A 128 -11.543 4.926 -4.335 1.00 32.12 H new ATOM 0 HB3 ALA A 128 -12.229 6.392 -3.595 1.00 32.12 H new ATOM 1834 N GLN A 129 -12.803 8.766 -5.252 1.00 33.41 N ATOM 1835 CA GLN A 129 -13.789 9.838 -5.337 1.00 64.05 C ATOM 1836 C GLN A 129 -13.361 11.125 -6.045 1.00 44.33 C ATOM 1837 O GLN A 129 -14.233 11.931 -6.367 1.00 35.13 O ATOM 1838 CB GLN A 129 -14.201 10.144 -3.894 1.00 40.54 C ATOM 1839 CG GLN A 129 -14.917 8.958 -3.214 1.00 23.43 C ATOM 1840 CD GLN A 129 -14.953 9.113 -1.699 1.00 22.41 C ATOM 1841 OE1 GLN A 129 -14.363 8.327 -0.961 1.00 12.00 O ATOM 1842 NE2 GLN A 129 -15.653 10.119 -1.211 1.00 55.01 N ATOM 0 H GLN A 129 -12.059 8.962 -4.582 1.00 33.41 H new ATOM 0 HA GLN A 129 -14.599 9.477 -5.971 1.00 64.05 H new ATOM 0 HB2 GLN A 129 -13.315 10.408 -3.316 1.00 40.54 H new ATOM 0 HB3 GLN A 129 -14.858 11.013 -3.885 1.00 40.54 H new ATOM 0 HG2 GLN A 129 -15.935 8.881 -3.596 1.00 23.43 H new ATOM 0 HG3 GLN A 129 -14.408 8.029 -3.473 1.00 23.43 H new ATOM 0 HE21 GLN A 129 -16.135 10.759 -1.843 1.00 55.01 H new ATOM 0 HE22 GLN A 129 -15.713 10.257 -0.202 1.00 55.01 H new