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 108 THR OG1 : rot 180:sc= -0.146 USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 89 SER OG : rot 128:sc= 1.06 USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0.763 USER MOD Set 2.3: A 92 THR OG1 : rot 93:sc= 0.283 USER MOD Set 3.1: A 8 THR OG1 : rot 1:sc= 1.37 USER MOD Set 3.2: A 11 THR OG1 : rot 149:sc= 0.673 USER MOD Single : A 12 ASN : amide:sc= -0.2 K(o=-0.2,f=-2!) USER MOD Single : A 18 ASN : amide:sc=-0.00254 X(o=-0.0025,f=-0.34) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot -73:sc= 1.23 USER MOD Single : A 25 GLN : amide:sc= -0.0274 X(o=-0.027,f=-0.023) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0995 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -162:sc= -1.35 (180deg=-1.83) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 37 GLN : amide:sc= -0.0634 K(o=-0.063,f=-3.3!) USER MOD Single : A 42 SER OG : rot 52:sc= 0.0606 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00628 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 47 SER OG : rot 78:sc= 0.572 USER MOD Single : A 50 GLN : amide:sc= -0.0457 X(o=-0.046,f=-0.046) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0381 X(o=-0.038,f=-0.085) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.23 K(o=0.23,f=-1.8!) 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= 1 K(o=1,f=1.7) USER MOD Single : A 71 MET CE :methyl -169:sc= -0.365 (180deg=-0.68) USER MOD Single : A 75 SER OG : rot 38:sc= 1.49 USER MOD Single : A 76 SER OG : rot 77:sc= 0.334 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -155:sc= 1.24 (180deg=-0.216) USER MOD Single : A 94 THR OG1 : rot 10:sc= 0.341 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 68:sc= 0.334 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 29:sc= 0.26 USER MOD Single : A 103 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.0097) USER MOD Single : A 107 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.43) 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=-0.16) USER MOD Single : A 121 THR OG1 : rot -14:sc= 0.229 USER MOD Single : A 122 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.48) USER MOD Single : A 125 SER OG : rot 28:sc= 0.0766 USER MOD Single : A 126 MET CE :methyl -118:sc=-0.00263 (180deg=-0.0512) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 14.381 1.424 4.873 1.00 54.22 N ATOM 83 CA THR A 8 12.956 1.710 4.712 1.00 42.23 C ATOM 84 C THR A 8 12.400 0.667 3.722 1.00 14.53 C ATOM 85 O THR A 8 13.176 0.145 2.915 1.00 20.42 O ATOM 86 CB THR A 8 12.750 3.191 4.295 1.00 2.14 C ATOM 87 OG1 THR A 8 13.963 3.932 4.176 1.00 22.15 O ATOM 88 CG2 THR A 8 11.945 3.983 5.322 1.00 5.54 C ATOM 0 HA THR A 8 12.397 1.615 5.643 1.00 42.23 H new ATOM 0 HB THR A 8 12.241 3.097 3.336 1.00 2.14 H new ATOM 0 HG1 THR A 8 14.725 3.346 4.367 1.00 22.15 H new ATOM 0 HG21 THR A 8 11.831 5.012 4.980 1.00 5.54 H new ATOM 0 HG22 THR A 8 10.961 3.529 5.442 1.00 5.54 H new ATOM 0 HG23 THR A 8 12.467 3.974 6.279 1.00 5.54 H new ATOM 96 N PRO A 9 11.089 0.348 3.748 1.00 44.21 N ATOM 97 CA PRO A 9 10.509 -0.659 2.868 1.00 53.11 C ATOM 98 C PRO A 9 10.633 -0.280 1.403 1.00 0.43 C ATOM 99 O PRO A 9 11.142 -1.045 0.604 1.00 41.11 O ATOM 100 CB PRO A 9 9.047 -0.835 3.297 1.00 41.41 C ATOM 101 CG PRO A 9 8.729 0.461 4.026 1.00 65.45 C ATOM 102 CD PRO A 9 10.063 0.894 4.621 1.00 12.02 C ATOM 0 HA PRO A 9 11.049 -1.601 2.961 1.00 53.11 H new ATOM 0 HB2 PRO A 9 8.392 -0.983 2.438 1.00 41.41 H new ATOM 0 HB3 PRO A 9 8.921 -1.701 3.946 1.00 41.41 H new ATOM 0 HG2 PRO A 9 8.334 1.214 3.344 1.00 65.45 H new ATOM 0 HG3 PRO A 9 7.978 0.308 4.801 1.00 65.45 H new ATOM 0 HD2 PRO A 9 10.133 1.981 4.672 1.00 12.02 H new ATOM 0 HD3 PRO A 9 10.176 0.519 5.638 1.00 12.02 H new ATOM 110 N TRP A 10 10.211 0.929 1.060 1.00 60.32 N ATOM 111 CA TRP A 10 10.227 1.454 -0.290 1.00 21.52 C ATOM 112 C TRP A 10 11.634 1.581 -0.861 1.00 54.42 C ATOM 113 O TRP A 10 11.797 1.519 -2.073 1.00 23.10 O ATOM 114 CB TRP A 10 9.546 2.825 -0.252 1.00 72.13 C ATOM 115 CG TRP A 10 8.376 2.916 0.674 1.00 35.14 C ATOM 116 CD1 TRP A 10 8.390 3.529 1.879 1.00 11.11 C ATOM 117 CD2 TRP A 10 7.085 2.240 0.580 1.00 44.33 C ATOM 118 NE1 TRP A 10 7.176 3.349 2.498 1.00 34.21 N ATOM 119 CE2 TRP A 10 6.369 2.490 1.785 1.00 0.33 C ATOM 120 CE3 TRP A 10 6.473 1.399 -0.374 1.00 72.23 C ATOM 121 CZ2 TRP A 10 5.125 1.911 2.048 1.00 24.44 C ATOM 122 CZ3 TRP A 10 5.205 0.834 -0.133 1.00 12.22 C ATOM 123 CH2 TRP A 10 4.534 1.087 1.078 1.00 32.52 C ATOM 0 H TRP A 10 9.836 1.590 1.740 1.00 60.32 H new ATOM 0 HA TRP A 10 9.700 0.760 -0.945 1.00 21.52 H new ATOM 0 HB2 TRP A 10 10.283 3.573 0.040 1.00 72.13 H new ATOM 0 HB3 TRP A 10 9.216 3.079 -1.259 1.00 72.13 H new ATOM 0 HD1 TRP A 10 9.225 4.075 2.291 1.00 11.11 H new ATOM 0 HE1 TRP A 10 6.907 3.795 3.375 1.00 34.21 H new ATOM 0 HE3 TRP A 10 6.984 1.186 -1.301 1.00 72.23 H new ATOM 0 HZ2 TRP A 10 4.624 2.095 2.987 1.00 24.44 H new ATOM 0 HZ3 TRP A 10 4.746 0.204 -0.881 1.00 12.22 H new ATOM 0 HH2 TRP A 10 3.565 0.647 1.261 1.00 32.52 H new ATOM 134 N THR A 11 12.639 1.769 -0.008 1.00 61.33 N ATOM 135 CA THR A 11 14.017 1.934 -0.437 1.00 21.13 C ATOM 136 C THR A 11 14.688 0.622 -0.838 1.00 25.12 C ATOM 137 O THR A 11 15.469 0.624 -1.793 1.00 4.33 O ATOM 138 CB THR A 11 14.823 2.607 0.686 1.00 71.11 C ATOM 139 OG1 THR A 11 14.022 3.492 1.438 1.00 51.25 O ATOM 140 CG2 THR A 11 15.977 3.440 0.137 1.00 63.32 C ATOM 0 H THR A 11 12.515 1.811 1.004 1.00 61.33 H new ATOM 0 HA THR A 11 13.999 2.560 -1.329 1.00 21.13 H new ATOM 0 HB THR A 11 15.195 1.790 1.305 1.00 71.11 H new ATOM 0 HG1 THR A 11 14.339 3.513 2.365 1.00 51.25 H new ATOM 0 HG21 THR A 11 16.520 3.898 0.963 1.00 63.32 H new ATOM 0 HG22 THR A 11 16.652 2.798 -0.430 1.00 63.32 H new ATOM 0 HG23 THR A 11 15.585 4.220 -0.516 1.00 63.32 H new ATOM 148 N ASN A 12 14.438 -0.481 -0.120 1.00 51.25 N ATOM 149 CA ASN A 12 15.065 -1.763 -0.427 1.00 24.11 C ATOM 150 C ASN A 12 14.058 -2.706 -1.070 1.00 52.33 C ATOM 151 O ASN A 12 13.022 -2.962 -0.472 1.00 52.02 O ATOM 152 CB ASN A 12 15.719 -2.388 0.817 1.00 0.51 C ATOM 153 CG ASN A 12 17.118 -1.836 1.079 1.00 33.33 C ATOM 154 OD1 ASN A 12 17.800 -1.407 0.148 1.00 1.04 O ATOM 155 ND2 ASN A 12 17.622 -1.891 2.298 1.00 65.54 N ATOM 0 H ASN A 12 13.804 -0.506 0.678 1.00 51.25 H new ATOM 0 HA ASN A 12 15.866 -1.585 -1.145 1.00 24.11 H new ATOM 0 HB2 ASN A 12 15.089 -2.202 1.687 1.00 0.51 H new ATOM 0 HB3 ASN A 12 15.776 -3.469 0.690 1.00 0.51 H new ATOM 0 HD21 ASN A 12 18.577 -1.578 2.469 1.00 65.54 H new ATOM 0 HD22 ASN A 12 17.056 -2.247 3.068 1.00 65.54 H new ATOM 162 N PRO A 13 14.344 -3.286 -2.248 1.00 51.35 N ATOM 163 CA PRO A 13 13.412 -4.179 -2.937 1.00 63.32 C ATOM 164 C PRO A 13 13.052 -5.433 -2.131 1.00 14.40 C ATOM 165 O PRO A 13 11.932 -5.923 -2.265 1.00 2.23 O ATOM 166 CB PRO A 13 14.064 -4.501 -4.287 1.00 51.12 C ATOM 167 CG PRO A 13 15.546 -4.264 -4.010 1.00 23.21 C ATOM 168 CD PRO A 13 15.541 -3.090 -3.049 1.00 14.35 C ATOM 0 HA PRO A 13 12.446 -3.692 -3.072 1.00 63.32 H new ATOM 0 HB2 PRO A 13 13.869 -5.528 -4.596 1.00 51.12 H new ATOM 0 HB3 PRO A 13 13.692 -3.853 -5.081 1.00 51.12 H new ATOM 0 HG2 PRO A 13 16.018 -5.142 -3.569 1.00 23.21 H new ATOM 0 HG3 PRO A 13 16.094 -4.033 -4.924 1.00 23.21 H new ATOM 0 HD2 PRO A 13 16.437 -3.080 -2.429 1.00 14.35 H new ATOM 0 HD3 PRO A 13 15.512 -2.140 -3.582 1.00 14.35 H new ATOM 176 N GLY A 14 13.957 -5.954 -1.295 1.00 44.42 N ATOM 177 CA GLY A 14 13.667 -7.132 -0.485 1.00 41.14 C ATOM 178 C GLY A 14 12.681 -6.753 0.618 1.00 55.31 C ATOM 179 O GLY A 14 11.684 -7.436 0.841 1.00 61.53 O ATOM 0 H GLY A 14 14.895 -5.575 -1.165 1.00 44.42 H new ATOM 0 HA2 GLY A 14 13.248 -7.922 -1.108 1.00 41.14 H new ATOM 0 HA3 GLY A 14 14.586 -7.523 -0.049 1.00 41.14 H new ATOM 183 N LEU A 15 12.931 -5.627 1.292 1.00 0.20 N ATOM 184 CA LEU A 15 12.068 -5.134 2.360 1.00 74.41 C ATOM 185 C LEU A 15 10.698 -4.762 1.760 1.00 63.14 C ATOM 186 O LEU A 15 9.667 -5.001 2.386 1.00 14.02 O ATOM 187 CB LEU A 15 12.765 -3.976 3.097 1.00 20.24 C ATOM 188 CG LEU A 15 12.553 -3.988 4.627 1.00 32.43 C ATOM 189 CD1 LEU A 15 13.249 -2.773 5.249 1.00 45.14 C ATOM 190 CD2 LEU A 15 11.087 -4.004 5.077 1.00 4.01 C ATOM 0 H LEU A 15 13.740 -5.033 1.109 1.00 0.20 H new ATOM 0 HA LEU A 15 11.886 -5.902 3.112 1.00 74.41 H new ATOM 0 HB2 LEU A 15 13.834 -4.017 2.888 1.00 20.24 H new ATOM 0 HB3 LEU A 15 12.398 -3.031 2.697 1.00 20.24 H new ATOM 0 HG LEU A 15 12.986 -4.927 4.973 1.00 32.43 H new ATOM 0 HD11 LEU A 15 13.100 -2.781 6.329 1.00 45.14 H new ATOM 0 HD12 LEU A 15 14.316 -2.813 5.030 1.00 45.14 H new ATOM 0 HD13 LEU A 15 12.827 -1.859 4.831 1.00 45.14 H new ATOM 0 HD21 LEU A 15 11.041 -4.012 6.166 1.00 4.01 H new ATOM 0 HD22 LEU A 15 10.581 -3.116 4.698 1.00 4.01 H new ATOM 0 HD23 LEU A 15 10.596 -4.896 4.687 1.00 4.01 H new ATOM 202 N ALA A 16 10.673 -4.236 0.527 1.00 3.45 N ATOM 203 CA ALA A 16 9.453 -3.873 -0.182 1.00 35.14 C ATOM 204 C ALA A 16 8.649 -5.151 -0.419 1.00 23.12 C ATOM 205 O ALA A 16 7.445 -5.177 -0.176 1.00 3.33 O ATOM 206 CB ALA A 16 9.772 -3.205 -1.524 1.00 53.43 C ATOM 0 H ALA A 16 11.520 -4.050 -0.010 1.00 3.45 H new ATOM 0 HA ALA A 16 8.883 -3.161 0.415 1.00 35.14 H new ATOM 0 HB1 ALA A 16 8.843 -2.945 -2.031 1.00 53.43 H new ATOM 0 HB2 ALA A 16 10.356 -2.301 -1.351 1.00 53.43 H new ATOM 0 HB3 ALA A 16 10.344 -3.893 -2.146 1.00 53.43 H new ATOM 212 N GLU A 17 9.310 -6.210 -0.895 1.00 51.43 N ATOM 213 CA GLU A 17 8.684 -7.498 -1.146 1.00 42.31 C ATOM 214 C GLU A 17 8.122 -8.041 0.169 1.00 53.31 C ATOM 215 O GLU A 17 6.994 -8.525 0.174 1.00 62.41 O ATOM 216 CB GLU A 17 9.702 -8.445 -1.786 1.00 42.12 C ATOM 217 CG GLU A 17 9.230 -9.902 -1.821 1.00 12.24 C ATOM 218 CD GLU A 17 10.242 -10.731 -2.592 1.00 15.40 C ATOM 219 OE1 GLU A 17 11.273 -11.124 -2.007 1.00 12.03 O ATOM 220 OE2 GLU A 17 10.076 -10.900 -3.823 1.00 33.40 O ATOM 0 H GLU A 17 10.305 -6.190 -1.117 1.00 51.43 H new ATOM 0 HA GLU A 17 7.854 -7.398 -1.846 1.00 42.31 H new ATOM 0 HB2 GLU A 17 9.909 -8.112 -2.803 1.00 42.12 H new ATOM 0 HB3 GLU A 17 10.640 -8.387 -1.234 1.00 42.12 H new ATOM 0 HG2 GLU A 17 9.122 -10.287 -0.807 1.00 12.24 H new ATOM 0 HG3 GLU A 17 8.250 -9.969 -2.294 1.00 12.24 H new ATOM 227 N ASN A 18 8.860 -7.927 1.282 1.00 13.00 N ATOM 228 CA ASN A 18 8.407 -8.396 2.593 1.00 11.32 C ATOM 229 C ASN A 18 7.119 -7.672 2.977 1.00 71.24 C ATOM 230 O ASN A 18 6.168 -8.297 3.446 1.00 15.20 O ATOM 231 CB ASN A 18 9.457 -8.121 3.675 1.00 2.21 C ATOM 232 CG ASN A 18 9.152 -8.901 4.946 1.00 75.45 C ATOM 233 OD1 ASN A 18 8.226 -8.604 5.696 1.00 5.30 O ATOM 234 ND2 ASN A 18 9.929 -9.927 5.217 1.00 23.32 N ATOM 0 H ASN A 18 9.789 -7.506 1.295 1.00 13.00 H new ATOM 0 HA ASN A 18 8.241 -9.471 2.524 1.00 11.32 H new ATOM 0 HB2 ASN A 18 10.445 -8.395 3.305 1.00 2.21 H new ATOM 0 HB3 ASN A 18 9.484 -7.054 3.897 1.00 2.21 H new ATOM 0 HD21 ASN A 18 9.765 -10.483 6.056 1.00 23.32 H new ATOM 0 HD22 ASN A 18 10.696 -10.166 4.588 1.00 23.32 H new ATOM 241 N PHE A 19 7.094 -6.349 2.787 1.00 54.42 N ATOM 242 CA PHE A 19 5.942 -5.515 3.085 1.00 65.14 C ATOM 243 C PHE A 19 4.748 -5.996 2.285 1.00 22.42 C ATOM 244 O PHE A 19 3.699 -6.287 2.850 1.00 15.02 O ATOM 245 CB PHE A 19 6.220 -4.027 2.774 1.00 1.01 C ATOM 246 CG PHE A 19 4.937 -3.224 2.644 1.00 74.41 C ATOM 247 CD1 PHE A 19 4.618 -2.595 1.425 1.00 42.41 C ATOM 248 CD2 PHE A 19 3.973 -3.282 3.669 1.00 21.12 C ATOM 249 CE1 PHE A 19 3.334 -2.060 1.222 1.00 2.32 C ATOM 250 CE2 PHE A 19 2.692 -2.748 3.463 1.00 65.51 C ATOM 251 CZ PHE A 19 2.369 -2.143 2.240 1.00 1.00 C ATOM 0 H PHE A 19 7.888 -5.827 2.416 1.00 54.42 H new ATOM 0 HA PHE A 19 5.731 -5.597 4.151 1.00 65.14 H new ATOM 0 HB2 PHE A 19 6.836 -3.600 3.565 1.00 1.01 H new ATOM 0 HB3 PHE A 19 6.791 -3.950 1.849 1.00 1.01 H new ATOM 0 HD1 PHE A 19 5.361 -2.524 0.645 1.00 42.41 H new ATOM 0 HD2 PHE A 19 4.220 -3.739 4.616 1.00 21.12 H new ATOM 0 HE1 PHE A 19 3.089 -1.585 0.283 1.00 2.32 H new ATOM 0 HE2 PHE A 19 1.953 -2.803 4.248 1.00 65.51 H new ATOM 0 HZ PHE A 19 1.379 -1.741 2.081 1.00 1.00 H new ATOM 261 N LEU A 20 4.912 -6.062 0.971 1.00 23.32 N ATOM 262 CA LEU A 20 3.858 -6.479 0.079 1.00 22.22 C ATOM 263 C LEU A 20 3.385 -7.885 0.439 1.00 54.14 C ATOM 264 O LEU A 20 2.184 -8.087 0.548 1.00 32.34 O ATOM 265 CB LEU A 20 4.344 -6.343 -1.367 1.00 4.55 C ATOM 266 CG LEU A 20 4.620 -4.878 -1.781 1.00 41.33 C ATOM 267 CD1 LEU A 20 5.531 -4.827 -3.013 1.00 71.32 C ATOM 268 CD2 LEU A 20 3.333 -4.070 -2.008 1.00 22.32 C ATOM 0 H LEU A 20 5.785 -5.826 0.500 1.00 23.32 H new ATOM 0 HA LEU A 20 2.984 -5.836 0.185 1.00 22.22 H new ATOM 0 HB2 LEU A 20 5.255 -6.928 -1.494 1.00 4.55 H new ATOM 0 HB3 LEU A 20 3.596 -6.768 -2.036 1.00 4.55 H new ATOM 0 HG LEU A 20 5.135 -4.404 -0.946 1.00 41.33 H new ATOM 0 HD11 LEU A 20 5.713 -3.788 -3.288 1.00 71.32 H new ATOM 0 HD12 LEU A 20 6.479 -5.313 -2.785 1.00 71.32 H new ATOM 0 HD13 LEU A 20 5.049 -5.343 -3.843 1.00 71.32 H new ATOM 0 HD21 LEU A 20 3.589 -3.051 -2.296 1.00 22.32 H new ATOM 0 HD22 LEU A 20 2.747 -4.535 -2.801 1.00 22.32 H new ATOM 0 HD23 LEU A 20 2.748 -4.051 -1.088 1.00 22.32 H new ATOM 280 N ASN A 21 4.288 -8.841 0.662 1.00 32.13 N ATOM 281 CA ASN A 21 3.925 -10.213 1.008 1.00 14.41 C ATOM 282 C ASN A 21 3.123 -10.257 2.307 1.00 35.10 C ATOM 283 O ASN A 21 2.027 -10.809 2.314 1.00 34.51 O ATOM 284 CB ASN A 21 5.185 -11.088 1.124 1.00 11.31 C ATOM 285 CG ASN A 21 4.887 -12.458 1.729 1.00 44.03 C ATOM 286 OD1 ASN A 21 5.386 -12.781 2.807 1.00 15.44 O ATOM 287 ND2 ASN A 21 4.097 -13.281 1.063 1.00 11.44 N ATOM 0 H ASN A 21 5.294 -8.683 0.607 1.00 32.13 H new ATOM 0 HA ASN A 21 3.297 -10.609 0.210 1.00 14.41 H new ATOM 0 HB2 ASN A 21 5.626 -11.218 0.136 1.00 11.31 H new ATOM 0 HB3 ASN A 21 5.925 -10.575 1.739 1.00 11.31 H new ATOM 0 HD21 ASN A 21 3.889 -14.206 1.440 1.00 11.44 H new ATOM 0 HD22 ASN A 21 3.695 -12.992 0.171 1.00 11.44 H new ATOM 294 N SER A 22 3.629 -9.647 3.382 1.00 71.24 N ATOM 295 CA SER A 22 2.961 -9.635 4.677 1.00 75.12 C ATOM 296 C SER A 22 1.582 -8.971 4.574 1.00 3.14 C ATOM 297 O SER A 22 0.587 -9.514 5.064 1.00 20.32 O ATOM 298 CB SER A 22 3.880 -8.993 5.732 1.00 35.43 C ATOM 299 OG SER A 22 4.341 -7.708 5.372 1.00 63.31 O ATOM 0 H SER A 22 4.518 -9.147 3.374 1.00 71.24 H new ATOM 0 HA SER A 22 2.771 -10.657 5.005 1.00 75.12 H new ATOM 0 HB2 SER A 22 3.342 -8.925 6.678 1.00 35.43 H new ATOM 0 HB3 SER A 22 4.738 -9.644 5.899 1.00 35.43 H new ATOM 0 HG SER A 22 5.020 -7.789 4.670 1.00 63.31 H new ATOM 305 N PHE A 23 1.505 -7.814 3.915 1.00 64.24 N ATOM 306 CA PHE A 23 0.278 -7.059 3.721 1.00 3.25 C ATOM 307 C PHE A 23 -0.754 -7.872 2.955 1.00 71.43 C ATOM 308 O PHE A 23 -1.873 -8.023 3.437 1.00 3.33 O ATOM 309 CB PHE A 23 0.602 -5.739 3.009 1.00 64.15 C ATOM 310 CG PHE A 23 -0.600 -4.899 2.625 1.00 43.01 C ATOM 311 CD1 PHE A 23 -0.850 -4.622 1.267 1.00 31.54 C ATOM 312 CD2 PHE A 23 -1.472 -4.403 3.614 1.00 0.40 C ATOM 313 CE1 PHE A 23 -1.967 -3.854 0.901 1.00 32.52 C ATOM 314 CE2 PHE A 23 -2.595 -3.641 3.240 1.00 14.02 C ATOM 315 CZ PHE A 23 -2.845 -3.369 1.883 1.00 15.24 C ATOM 0 H PHE A 23 2.319 -7.369 3.492 1.00 64.24 H new ATOM 0 HA PHE A 23 -0.161 -6.833 4.693 1.00 3.25 H new ATOM 0 HB2 PHE A 23 1.248 -5.145 3.656 1.00 64.15 H new ATOM 0 HB3 PHE A 23 1.172 -5.962 2.107 1.00 64.15 H new ATOM 0 HD1 PHE A 23 -0.182 -5.000 0.507 1.00 31.54 H new ATOM 0 HD2 PHE A 23 -1.279 -4.607 4.657 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.151 -3.635 -0.140 1.00 32.52 H new ATOM 0 HE2 PHE A 23 -3.267 -3.264 3.997 1.00 14.02 H new ATOM 0 HZ PHE A 23 -3.710 -2.789 1.597 1.00 15.24 H new ATOM 325 N LEU A 24 -0.392 -8.392 1.780 1.00 11.14 N ATOM 326 CA LEU A 24 -1.280 -9.182 0.930 1.00 5.35 C ATOM 327 C LEU A 24 -1.813 -10.392 1.699 1.00 72.43 C ATOM 328 O LEU A 24 -3.028 -10.596 1.761 1.00 4.44 O ATOM 329 CB LEU A 24 -0.550 -9.610 -0.358 1.00 42.43 C ATOM 330 CG LEU A 24 -0.220 -8.447 -1.321 1.00 25.20 C ATOM 331 CD1 LEU A 24 0.773 -8.919 -2.389 1.00 11.45 C ATOM 332 CD2 LEU A 24 -1.437 -7.851 -2.027 1.00 71.21 C ATOM 0 H LEU A 24 0.542 -8.273 1.388 1.00 11.14 H new ATOM 0 HA LEU A 24 -2.133 -8.568 0.641 1.00 5.35 H new ATOM 0 HB2 LEU A 24 0.377 -10.114 -0.085 1.00 42.43 H new ATOM 0 HB3 LEU A 24 -1.166 -10.339 -0.885 1.00 42.43 H new ATOM 0 HG LEU A 24 0.204 -7.663 -0.694 1.00 25.20 H new ATOM 0 HD11 LEU A 24 1.001 -8.094 -3.064 1.00 11.45 H new ATOM 0 HD12 LEU A 24 1.690 -9.258 -1.908 1.00 11.45 H new ATOM 0 HD13 LEU A 24 0.335 -9.741 -2.955 1.00 11.45 H new ATOM 0 HD21 LEU A 24 -1.117 -7.042 -2.683 1.00 71.21 H new ATOM 0 HD22 LEU A 24 -1.930 -8.624 -2.617 1.00 71.21 H new ATOM 0 HD23 LEU A 24 -2.134 -7.462 -1.285 1.00 71.21 H new ATOM 344 N GLN A 25 -0.916 -11.160 2.323 1.00 61.41 N ATOM 345 CA GLN A 25 -1.253 -12.346 3.099 1.00 23.11 C ATOM 346 C GLN A 25 -2.292 -12.021 4.179 1.00 25.54 C ATOM 347 O GLN A 25 -3.298 -12.726 4.296 1.00 21.25 O ATOM 348 CB GLN A 25 0.033 -12.928 3.716 1.00 4.12 C ATOM 349 CG GLN A 25 0.909 -13.678 2.695 1.00 64.35 C ATOM 350 CD GLN A 25 0.334 -15.043 2.339 1.00 14.31 C ATOM 351 OE1 GLN A 25 -0.090 -15.291 1.215 1.00 75.32 O ATOM 352 NE2 GLN A 25 0.265 -15.954 3.293 1.00 15.25 N ATOM 0 H GLN A 25 0.085 -10.966 2.299 1.00 61.41 H new ATOM 0 HA GLN A 25 -1.700 -13.091 2.441 1.00 23.11 H new ATOM 0 HB2 GLN A 25 0.614 -12.119 4.159 1.00 4.12 H new ATOM 0 HB3 GLN A 25 -0.235 -13.608 4.524 1.00 4.12 H new ATOM 0 HG2 GLN A 25 1.004 -13.078 1.790 1.00 64.35 H new ATOM 0 HG3 GLN A 25 1.913 -13.803 3.102 1.00 64.35 H new ATOM 0 HE21 GLN A 25 0.619 -15.743 4.226 1.00 15.25 H new ATOM 0 HE22 GLN A 25 -0.142 -16.868 3.097 1.00 15.25 H new ATOM 361 N GLY A 26 -2.079 -10.961 4.963 1.00 0.24 N ATOM 362 CA GLY A 26 -2.999 -10.573 6.027 1.00 60.32 C ATOM 363 C GLY A 26 -4.316 -10.005 5.498 1.00 2.34 C ATOM 364 O GLY A 26 -5.382 -10.277 6.059 1.00 40.12 O ATOM 0 H GLY A 26 -1.266 -10.352 4.876 1.00 0.24 H new ATOM 0 HA2 GLY A 26 -3.209 -11.440 6.653 1.00 60.32 H new ATOM 0 HA3 GLY A 26 -2.518 -9.830 6.663 1.00 60.32 H new ATOM 368 N LEU A 27 -4.260 -9.207 4.431 1.00 63.25 N ATOM 369 CA LEU A 27 -5.412 -8.570 3.803 1.00 11.01 C ATOM 370 C LEU A 27 -6.372 -9.576 3.184 1.00 3.04 C ATOM 371 O LEU A 27 -7.571 -9.308 3.186 1.00 61.44 O ATOM 372 CB LEU A 27 -4.919 -7.623 2.706 1.00 21.32 C ATOM 373 CG LEU A 27 -5.992 -6.740 2.054 1.00 75.44 C ATOM 374 CD1 LEU A 27 -6.423 -5.587 2.967 1.00 11.13 C ATOM 375 CD2 LEU A 27 -5.385 -6.215 0.758 1.00 25.51 C ATOM 0 H LEU A 27 -3.381 -8.980 3.967 1.00 63.25 H new ATOM 0 HA LEU A 27 -5.953 -8.032 4.581 1.00 11.01 H new ATOM 0 HB2 LEU A 27 -4.151 -6.976 3.129 1.00 21.32 H new ATOM 0 HB3 LEU A 27 -4.442 -8.217 1.927 1.00 21.32 H new ATOM 0 HG LEU A 27 -6.897 -7.318 1.865 1.00 75.44 H new ATOM 0 HD11 LEU A 27 -7.183 -4.989 2.464 1.00 11.13 H new ATOM 0 HD12 LEU A 27 -6.832 -5.990 3.893 1.00 11.13 H new ATOM 0 HD13 LEU A 27 -5.560 -4.961 3.194 1.00 11.13 H new ATOM 0 HD21 LEU A 27 -6.108 -5.577 0.250 1.00 25.51 H new ATOM 0 HD22 LEU A 27 -4.488 -5.638 0.984 1.00 25.51 H new ATOM 0 HD23 LEU A 27 -5.124 -7.054 0.113 1.00 25.51 H new ATOM 387 N SER A 28 -5.897 -10.723 2.695 1.00 11.41 N ATOM 388 CA SER A 28 -6.791 -11.694 2.082 1.00 14.34 C ATOM 389 C SER A 28 -7.873 -12.167 3.059 1.00 71.42 C ATOM 390 O SER A 28 -9.048 -12.310 2.700 1.00 53.41 O ATOM 391 CB SER A 28 -5.992 -12.879 1.536 1.00 34.11 C ATOM 392 OG SER A 28 -6.723 -13.435 0.469 1.00 53.15 O ATOM 0 H SER A 28 -4.914 -10.995 2.713 1.00 11.41 H new ATOM 0 HA SER A 28 -7.300 -11.203 1.253 1.00 14.34 H new ATOM 0 HB2 SER A 28 -5.009 -12.553 1.197 1.00 34.11 H new ATOM 0 HB3 SER A 28 -5.830 -13.622 2.316 1.00 34.11 H new ATOM 0 HG SER A 28 -6.232 -14.198 0.098 1.00 53.15 H new ATOM 398 N SER A 29 -7.498 -12.377 4.321 1.00 61.52 N ATOM 399 CA SER A 29 -8.406 -12.823 5.368 1.00 1.13 C ATOM 400 C SER A 29 -9.296 -11.691 5.903 1.00 35.43 C ATOM 401 O SER A 29 -10.098 -11.922 6.810 1.00 62.53 O ATOM 402 CB SER A 29 -7.582 -13.437 6.508 1.00 1.31 C ATOM 403 OG SER A 29 -6.496 -14.207 6.011 1.00 31.40 O ATOM 0 H SER A 29 -6.541 -12.239 4.645 1.00 61.52 H new ATOM 0 HA SER A 29 -9.078 -13.566 4.938 1.00 1.13 H new ATOM 0 HB2 SER A 29 -7.202 -12.644 7.152 1.00 1.31 H new ATOM 0 HB3 SER A 29 -8.224 -14.067 7.124 1.00 1.31 H new ATOM 0 HG SER A 29 -5.991 -14.583 6.762 1.00 31.40 H new ATOM 409 N MET A 30 -9.136 -10.461 5.412 1.00 55.32 N ATOM 410 CA MET A 30 -9.906 -9.313 5.860 1.00 53.01 C ATOM 411 C MET A 30 -11.153 -9.115 5.008 1.00 11.34 C ATOM 412 O MET A 30 -11.174 -9.489 3.835 1.00 65.21 O ATOM 413 CB MET A 30 -9.022 -8.057 5.809 1.00 14.33 C ATOM 414 CG MET A 30 -7.901 -8.180 6.835 1.00 42.54 C ATOM 415 SD MET A 30 -8.476 -8.022 8.531 1.00 1.15 S ATOM 416 CE MET A 30 -8.639 -6.233 8.599 1.00 25.11 C ATOM 0 H MET A 30 -8.458 -10.238 4.683 1.00 55.32 H new ATOM 0 HA MET A 30 -10.232 -9.492 6.885 1.00 53.01 H new ATOM 0 HB2 MET A 30 -8.603 -7.935 4.810 1.00 14.33 H new ATOM 0 HB3 MET A 30 -9.621 -7.170 6.014 1.00 14.33 H new ATOM 0 HG2 MET A 30 -7.409 -9.145 6.713 1.00 42.54 H new ATOM 0 HG3 MET A 30 -7.151 -7.413 6.639 1.00 42.54 H new ATOM 0 HE1 MET A 30 -8.674 -5.910 9.639 1.00 25.11 H new ATOM 0 HE2 MET A 30 -7.785 -5.771 8.104 1.00 25.11 H new ATOM 0 HE3 MET A 30 -9.557 -5.932 8.095 1.00 25.11 H new ATOM 426 N PRO A 31 -12.164 -8.409 5.540 1.00 1.53 N ATOM 427 CA PRO A 31 -13.405 -8.138 4.825 1.00 42.21 C ATOM 428 C PRO A 31 -13.267 -7.001 3.796 1.00 71.24 C ATOM 429 O PRO A 31 -14.264 -6.417 3.361 1.00 63.42 O ATOM 430 CB PRO A 31 -14.410 -7.840 5.928 1.00 4.24 C ATOM 431 CG PRO A 31 -13.584 -7.204 7.040 1.00 4.44 C ATOM 432 CD PRO A 31 -12.237 -7.913 6.912 1.00 4.30 C ATOM 0 HA PRO A 31 -13.721 -8.980 4.209 1.00 42.21 H new ATOM 0 HB2 PRO A 31 -15.192 -7.165 5.580 1.00 4.24 H new ATOM 0 HB3 PRO A 31 -14.903 -8.749 6.271 1.00 4.24 H new ATOM 0 HG2 PRO A 31 -13.488 -6.127 6.906 1.00 4.44 H new ATOM 0 HG3 PRO A 31 -14.034 -7.365 8.020 1.00 4.44 H new ATOM 0 HD2 PRO A 31 -11.416 -7.228 7.122 1.00 4.30 H new ATOM 0 HD3 PRO A 31 -12.159 -8.733 7.626 1.00 4.30 H new ATOM 440 N GLY A 32 -12.030 -6.656 3.446 1.00 1.14 N ATOM 441 CA GLY A 32 -11.675 -5.630 2.489 1.00 3.13 C ATOM 442 C GLY A 32 -11.767 -6.233 1.096 1.00 20.44 C ATOM 443 O GLY A 32 -12.825 -6.165 0.475 1.00 14.01 O ATOM 0 H GLY A 32 -11.211 -7.113 3.848 1.00 1.14 H new ATOM 0 HA2 GLY A 32 -12.346 -4.776 2.579 1.00 3.13 H new ATOM 0 HA3 GLY A 32 -10.666 -5.264 2.680 1.00 3.13 H new ATOM 447 N PHE A 33 -10.668 -6.796 0.591 1.00 62.15 N ATOM 448 CA PHE A 33 -10.621 -7.420 -0.735 1.00 40.23 C ATOM 449 C PHE A 33 -11.010 -8.899 -0.600 1.00 63.13 C ATOM 450 O PHE A 33 -11.563 -9.297 0.428 1.00 60.54 O ATOM 451 CB PHE A 33 -9.223 -7.213 -1.342 1.00 33.42 C ATOM 452 CG PHE A 33 -8.871 -5.763 -1.603 1.00 1.44 C ATOM 453 CD1 PHE A 33 -8.364 -4.974 -0.560 1.00 22.33 C ATOM 454 CD2 PHE A 33 -9.022 -5.193 -2.881 1.00 32.22 C ATOM 455 CE1 PHE A 33 -7.982 -3.650 -0.800 1.00 41.05 C ATOM 456 CE2 PHE A 33 -8.724 -3.837 -3.093 1.00 42.04 C ATOM 457 CZ PHE A 33 -8.190 -3.060 -2.057 1.00 65.42 C ATOM 0 H PHE A 33 -9.780 -6.833 1.092 1.00 62.15 H new ATOM 0 HA PHE A 33 -11.334 -6.959 -1.418 1.00 40.23 H new ATOM 0 HB2 PHE A 33 -8.480 -7.641 -0.669 1.00 33.42 H new ATOM 0 HB3 PHE A 33 -9.160 -7.765 -2.280 1.00 33.42 H new ATOM 0 HD1 PHE A 33 -8.268 -5.390 0.432 1.00 22.33 H new ATOM 0 HD2 PHE A 33 -9.369 -5.802 -3.703 1.00 32.22 H new ATOM 0 HE1 PHE A 33 -7.522 -3.075 -0.010 1.00 41.05 H new ATOM 0 HE2 PHE A 33 -8.907 -3.391 -4.059 1.00 42.04 H new ATOM 0 HZ PHE A 33 -7.942 -2.022 -2.223 1.00 65.42 H new ATOM 467 N THR A 34 -10.770 -9.700 -1.631 1.00 42.25 N ATOM 468 CA THR A 34 -11.050 -11.129 -1.699 1.00 40.04 C ATOM 469 C THR A 34 -9.765 -11.826 -2.140 1.00 13.42 C ATOM 470 O THR A 34 -8.895 -11.166 -2.713 1.00 40.41 O ATOM 471 CB THR A 34 -12.152 -11.364 -2.746 1.00 73.53 C ATOM 472 OG1 THR A 34 -11.758 -10.766 -3.970 1.00 64.45 O ATOM 473 CG2 THR A 34 -13.482 -10.782 -2.274 1.00 1.24 C ATOM 0 H THR A 34 -10.350 -9.349 -2.492 1.00 42.25 H new ATOM 0 HA THR A 34 -11.381 -11.516 -0.735 1.00 40.04 H new ATOM 0 HB THR A 34 -12.290 -12.436 -2.888 1.00 73.53 H new ATOM 0 HG1 THR A 34 -12.454 -10.912 -4.644 1.00 64.45 H new ATOM 0 HG21 THR A 34 -14.246 -10.960 -3.031 1.00 1.24 H new ATOM 0 HG22 THR A 34 -13.777 -11.260 -1.340 1.00 1.24 H new ATOM 0 HG23 THR A 34 -13.373 -9.709 -2.114 1.00 1.24 H new ATOM 481 N ALA A 35 -9.645 -13.144 -1.940 1.00 34.10 N ATOM 482 CA ALA A 35 -8.449 -13.873 -2.363 1.00 22.30 C ATOM 483 C ALA A 35 -8.218 -13.691 -3.869 1.00 4.44 C ATOM 484 O ALA A 35 -7.076 -13.626 -4.321 1.00 14.50 O ATOM 485 CB ALA A 35 -8.571 -15.347 -1.991 1.00 11.22 C ATOM 0 H ALA A 35 -10.356 -13.721 -1.492 1.00 34.10 H new ATOM 0 HA ALA A 35 -7.582 -13.467 -1.842 1.00 22.30 H new ATOM 0 HB1 ALA A 35 -7.675 -15.878 -2.311 1.00 11.22 H new ATOM 0 HB2 ALA A 35 -8.683 -15.442 -0.911 1.00 11.22 H new ATOM 0 HB3 ALA A 35 -9.443 -15.776 -2.485 1.00 11.22 H new ATOM 491 N SER A 36 -9.310 -13.557 -4.619 1.00 21.51 N ATOM 492 CA SER A 36 -9.346 -13.346 -6.050 1.00 64.34 C ATOM 493 C SER A 36 -8.639 -12.031 -6.379 1.00 54.22 C ATOM 494 O SER A 36 -7.675 -12.011 -7.139 1.00 33.13 O ATOM 495 CB SER A 36 -10.823 -13.307 -6.449 1.00 44.32 C ATOM 496 OG SER A 36 -11.503 -14.444 -5.937 1.00 64.41 O ATOM 0 H SER A 36 -10.245 -13.596 -4.212 1.00 21.51 H new ATOM 0 HA SER A 36 -8.835 -14.137 -6.599 1.00 64.34 H new ATOM 0 HB2 SER A 36 -11.285 -12.396 -6.068 1.00 44.32 H new ATOM 0 HB3 SER A 36 -10.913 -13.280 -7.535 1.00 44.32 H new ATOM 0 HG SER A 36 -12.447 -14.406 -6.198 1.00 64.41 H new ATOM 502 N GLN A 37 -9.090 -10.925 -5.775 1.00 54.04 N ATOM 503 CA GLN A 37 -8.479 -9.623 -6.005 1.00 24.43 C ATOM 504 C GLN A 37 -7.035 -9.655 -5.503 1.00 33.32 C ATOM 505 O GLN A 37 -6.168 -9.053 -6.126 1.00 32.10 O ATOM 506 CB GLN A 37 -9.300 -8.523 -5.321 1.00 4.43 C ATOM 507 CG GLN A 37 -10.610 -8.271 -6.082 1.00 5.25 C ATOM 508 CD GLN A 37 -11.507 -7.216 -5.437 1.00 63.12 C ATOM 509 OE1 GLN A 37 -11.465 -6.979 -4.230 1.00 34.42 O ATOM 510 NE2 GLN A 37 -12.335 -6.566 -6.238 1.00 71.21 N ATOM 0 H GLN A 37 -9.876 -10.912 -5.125 1.00 54.04 H new ATOM 0 HA GLN A 37 -8.467 -9.397 -7.071 1.00 24.43 H new ATOM 0 HB2 GLN A 37 -9.520 -8.812 -4.294 1.00 4.43 H new ATOM 0 HB3 GLN A 37 -8.717 -7.603 -5.275 1.00 4.43 H new ATOM 0 HG2 GLN A 37 -10.374 -7.960 -7.100 1.00 5.25 H new ATOM 0 HG3 GLN A 37 -11.162 -9.208 -6.155 1.00 5.25 H new ATOM 0 HE21 GLN A 37 -12.352 -6.779 -7.235 1.00 71.21 H new ATOM 0 HE22 GLN A 37 -12.956 -5.851 -5.858 1.00 71.21 H new ATOM 519 N LEU A 38 -6.751 -10.365 -4.403 1.00 52.34 N ATOM 520 CA LEU A 38 -5.409 -10.474 -3.850 1.00 41.21 C ATOM 521 C LEU A 38 -4.433 -11.080 -4.860 1.00 52.42 C ATOM 522 O LEU A 38 -3.240 -10.781 -4.781 1.00 13.32 O ATOM 523 CB LEU A 38 -5.396 -11.285 -2.540 1.00 33.22 C ATOM 524 CG LEU A 38 -5.393 -10.463 -1.243 1.00 13.21 C ATOM 525 CD1 LEU A 38 -4.241 -9.467 -1.188 1.00 22.32 C ATOM 526 CD2 LEU A 38 -6.708 -9.734 -0.979 1.00 41.23 C ATOM 0 H LEU A 38 -7.455 -10.880 -3.874 1.00 52.34 H new ATOM 0 HA LEU A 38 -5.079 -9.460 -3.623 1.00 41.21 H new ATOM 0 HB2 LEU A 38 -6.268 -11.939 -2.531 1.00 33.22 H new ATOM 0 HB3 LEU A 38 -4.516 -11.928 -2.542 1.00 33.22 H new ATOM 0 HG LEU A 38 -5.260 -11.203 -0.454 1.00 13.21 H new ATOM 0 HD11 LEU A 38 -4.285 -8.912 -0.251 1.00 22.32 H new ATOM 0 HD12 LEU A 38 -3.294 -10.003 -1.248 1.00 22.32 H new ATOM 0 HD13 LEU A 38 -4.319 -8.773 -2.025 1.00 22.32 H new ATOM 0 HD21 LEU A 38 -6.633 -9.174 -0.047 1.00 41.23 H new ATOM 0 HD22 LEU A 38 -6.914 -9.047 -1.799 1.00 41.23 H new ATOM 0 HD23 LEU A 38 -7.517 -10.460 -0.902 1.00 41.23 H new ATOM 538 N ASP A 39 -4.905 -11.924 -5.779 1.00 60.11 N ATOM 539 CA ASP A 39 -4.071 -12.549 -6.799 1.00 62.31 C ATOM 540 C ASP A 39 -3.645 -11.486 -7.807 1.00 20.50 C ATOM 541 O ASP A 39 -2.466 -11.366 -8.134 1.00 22.23 O ATOM 542 CB ASP A 39 -4.821 -13.713 -7.454 1.00 52.33 C ATOM 543 CG ASP A 39 -3.904 -14.564 -8.325 1.00 33.22 C ATOM 544 OD1 ASP A 39 -4.247 -14.811 -9.504 1.00 75.44 O ATOM 545 OD2 ASP A 39 -2.892 -15.091 -7.804 1.00 71.25 O ATOM 0 H ASP A 39 -5.887 -12.194 -5.834 1.00 60.11 H new ATOM 0 HA ASP A 39 -3.171 -12.970 -6.351 1.00 62.31 H new ATOM 0 HB2 ASP A 39 -5.269 -14.337 -6.681 1.00 52.33 H new ATOM 0 HB3 ASP A 39 -5.638 -13.323 -8.061 1.00 52.33 H new ATOM 550 N ASP A 40 -4.596 -10.665 -8.265 1.00 44.51 N ATOM 551 CA ASP A 40 -4.324 -9.576 -9.209 1.00 2.43 C ATOM 552 C ASP A 40 -3.358 -8.601 -8.531 1.00 13.03 C ATOM 553 O ASP A 40 -2.372 -8.148 -9.122 1.00 33.30 O ATOM 554 CB ASP A 40 -5.605 -8.815 -9.589 1.00 20.10 C ATOM 555 CG ASP A 40 -6.516 -9.599 -10.527 1.00 3.35 C ATOM 556 OD1 ASP A 40 -7.673 -9.891 -10.140 1.00 3.14 O ATOM 557 OD2 ASP A 40 -6.083 -9.878 -11.666 1.00 54.01 O ATOM 0 H ASP A 40 -5.576 -10.737 -7.992 1.00 44.51 H new ATOM 0 HA ASP A 40 -3.903 -9.999 -10.121 1.00 2.43 H new ATOM 0 HB2 ASP A 40 -6.156 -8.568 -8.681 1.00 20.10 H new ATOM 0 HB3 ASP A 40 -5.332 -7.872 -10.063 1.00 20.10 H new ATOM 562 N LEU A 41 -3.630 -8.314 -7.251 1.00 11.24 N ATOM 563 CA LEU A 41 -2.845 -7.427 -6.415 1.00 35.35 C ATOM 564 C LEU A 41 -1.392 -7.884 -6.305 1.00 14.11 C ATOM 565 O LEU A 41 -0.549 -7.006 -6.106 1.00 51.45 O ATOM 566 CB LEU A 41 -3.477 -7.217 -5.030 1.00 20.43 C ATOM 567 CG LEU A 41 -4.394 -5.993 -4.848 1.00 44.12 C ATOM 568 CD1 LEU A 41 -3.730 -4.684 -5.276 1.00 21.31 C ATOM 569 CD2 LEU A 41 -5.749 -6.076 -5.535 1.00 53.22 C ATOM 0 H LEU A 41 -4.432 -8.712 -6.762 1.00 11.24 H new ATOM 0 HA LEU A 41 -2.843 -6.457 -6.912 1.00 35.35 H new ATOM 0 HB2 LEU A 41 -4.053 -8.109 -4.784 1.00 20.43 H new ATOM 0 HB3 LEU A 41 -2.671 -7.146 -4.299 1.00 20.43 H new ATOM 0 HG LEU A 41 -4.570 -6.002 -3.772 1.00 44.12 H new ATOM 0 HD11 LEU A 41 -4.424 -3.857 -5.125 1.00 21.31 H new ATOM 0 HD12 LEU A 41 -2.833 -4.519 -4.679 1.00 21.31 H new ATOM 0 HD13 LEU A 41 -3.458 -4.741 -6.330 1.00 21.31 H new ATOM 0 HD21 LEU A 41 -6.312 -5.163 -5.341 1.00 53.22 H new ATOM 0 HD22 LEU A 41 -5.606 -6.193 -6.609 1.00 53.22 H new ATOM 0 HD23 LEU A 41 -6.302 -6.932 -5.147 1.00 53.22 H new ATOM 581 N SER A 42 -1.071 -9.183 -6.381 1.00 13.04 N ATOM 582 CA SER A 42 0.314 -9.650 -6.312 1.00 62.54 C ATOM 583 C SER A 42 1.101 -9.073 -7.488 1.00 45.43 C ATOM 584 O SER A 42 2.250 -8.658 -7.320 1.00 12.51 O ATOM 585 CB SER A 42 0.403 -11.176 -6.394 1.00 73.24 C ATOM 586 OG SER A 42 -0.211 -11.822 -5.301 1.00 13.25 O ATOM 0 H SER A 42 -1.758 -9.929 -6.491 1.00 13.04 H new ATOM 0 HA SER A 42 0.724 -9.321 -5.357 1.00 62.54 H new ATOM 0 HB2 SER A 42 -0.066 -11.513 -7.319 1.00 73.24 H new ATOM 0 HB3 SER A 42 1.451 -11.472 -6.442 1.00 73.24 H new ATOM 0 HG SER A 42 -1.125 -11.485 -5.193 1.00 13.25 H new ATOM 592 N THR A 43 0.486 -9.019 -8.669 1.00 3.13 N ATOM 593 CA THR A 43 1.108 -8.485 -9.869 1.00 1.44 C ATOM 594 C THR A 43 1.304 -6.978 -9.666 1.00 51.04 C ATOM 595 O THR A 43 2.407 -6.460 -9.850 1.00 20.12 O ATOM 596 CB THR A 43 0.246 -8.822 -11.099 1.00 64.44 C ATOM 597 OG1 THR A 43 -0.301 -10.124 -10.996 1.00 72.43 O ATOM 598 CG2 THR A 43 1.104 -8.785 -12.364 1.00 3.32 C ATOM 0 H THR A 43 -0.468 -9.349 -8.816 1.00 3.13 H new ATOM 0 HA THR A 43 2.084 -8.935 -10.050 1.00 1.44 H new ATOM 0 HB THR A 43 -0.555 -8.085 -11.147 1.00 64.44 H new ATOM 0 HG1 THR A 43 -0.846 -10.314 -11.788 1.00 72.43 H new ATOM 0 HG21 THR A 43 0.486 -9.025 -13.230 1.00 3.32 H new ATOM 0 HG22 THR A 43 1.529 -7.789 -12.486 1.00 3.32 H new ATOM 0 HG23 THR A 43 1.909 -9.515 -12.279 1.00 3.32 H new ATOM 606 N ILE A 44 0.257 -6.286 -9.197 1.00 15.23 N ATOM 607 CA ILE A 44 0.271 -4.845 -8.928 1.00 35.10 C ATOM 608 C ILE A 44 1.345 -4.531 -7.865 1.00 72.11 C ATOM 609 O ILE A 44 1.890 -3.427 -7.839 1.00 0.02 O ATOM 610 CB ILE A 44 -1.156 -4.380 -8.520 1.00 54.04 C ATOM 611 CG1 ILE A 44 -2.171 -4.644 -9.665 1.00 15.25 C ATOM 612 CG2 ILE A 44 -1.202 -2.884 -8.143 1.00 5.01 C ATOM 613 CD1 ILE A 44 -3.644 -4.596 -9.239 1.00 55.01 C ATOM 0 H ILE A 44 -0.641 -6.723 -8.990 1.00 15.23 H new ATOM 0 HA ILE A 44 0.541 -4.285 -9.823 1.00 35.10 H new ATOM 0 HB ILE A 44 -1.429 -4.963 -7.640 1.00 54.04 H new ATOM 0 HG12 ILE A 44 -2.010 -3.907 -10.452 1.00 15.25 H new ATOM 0 HG13 ILE A 44 -1.964 -5.623 -10.098 1.00 15.25 H new ATOM 0 HG21 ILE A 44 -2.220 -2.610 -7.866 1.00 5.01 H new ATOM 0 HG22 ILE A 44 -0.535 -2.700 -7.301 1.00 5.01 H new ATOM 0 HG23 ILE A 44 -0.884 -2.284 -8.996 1.00 5.01 H new ATOM 0 HD11 ILE A 44 -4.279 -4.792 -10.103 1.00 55.01 H new ATOM 0 HD12 ILE A 44 -3.827 -5.352 -8.476 1.00 55.01 H new ATOM 0 HD13 ILE A 44 -3.874 -3.610 -8.835 1.00 55.01 H new ATOM 625 N ALA A 45 1.652 -5.481 -6.979 1.00 20.30 N ATOM 626 CA ALA A 45 2.646 -5.363 -5.925 1.00 32.40 C ATOM 627 C ALA A 45 4.053 -5.472 -6.510 1.00 60.12 C ATOM 628 O ALA A 45 4.891 -4.603 -6.280 1.00 21.42 O ATOM 629 CB ALA A 45 2.412 -6.462 -4.884 1.00 23.43 C ATOM 0 H ALA A 45 1.191 -6.391 -6.982 1.00 20.30 H new ATOM 0 HA ALA A 45 2.551 -4.389 -5.445 1.00 32.40 H new ATOM 0 HB1 ALA A 45 3.156 -6.377 -4.092 1.00 23.43 H new ATOM 0 HB2 ALA A 45 1.414 -6.354 -4.458 1.00 23.43 H new ATOM 0 HB3 ALA A 45 2.499 -7.439 -5.360 1.00 23.43 H new ATOM 635 N GLN A 46 4.320 -6.533 -7.272 1.00 52.35 N ATOM 636 CA GLN A 46 5.617 -6.765 -7.891 1.00 40.05 C ATOM 637 C GLN A 46 6.010 -5.616 -8.822 1.00 13.05 C ATOM 638 O GLN A 46 7.186 -5.253 -8.876 1.00 13.41 O ATOM 639 CB GLN A 46 5.577 -8.098 -8.626 1.00 11.43 C ATOM 640 CG GLN A 46 5.797 -9.280 -7.682 1.00 13.41 C ATOM 641 CD GLN A 46 7.281 -9.601 -7.565 1.00 60.43 C ATOM 642 OE1 GLN A 46 8.070 -8.809 -7.044 1.00 34.52 O ATOM 643 NE2 GLN A 46 7.690 -10.745 -8.072 1.00 53.33 N ATOM 0 H GLN A 46 3.634 -7.259 -7.476 1.00 52.35 H new ATOM 0 HA GLN A 46 6.384 -6.805 -7.118 1.00 40.05 H new ATOM 0 HB2 GLN A 46 4.615 -8.208 -9.126 1.00 11.43 H new ATOM 0 HB3 GLN A 46 6.342 -8.107 -9.402 1.00 11.43 H new ATOM 0 HG2 GLN A 46 5.391 -9.047 -6.698 1.00 13.41 H new ATOM 0 HG3 GLN A 46 5.258 -10.153 -8.051 1.00 13.41 H new ATOM 0 HE21 GLN A 46 7.018 -11.383 -8.498 1.00 53.33 H new ATOM 0 HE22 GLN A 46 8.679 -10.993 -8.039 1.00 53.33 H new ATOM 652 N SER A 47 5.035 -4.979 -9.478 1.00 21.54 N ATOM 653 CA SER A 47 5.267 -3.846 -10.365 1.00 2.21 C ATOM 654 C SER A 47 5.930 -2.685 -9.592 1.00 34.34 C ATOM 655 O SER A 47 6.530 -1.792 -10.193 1.00 25.23 O ATOM 656 CB SER A 47 3.933 -3.456 -11.013 1.00 11.21 C ATOM 657 OG SER A 47 3.488 -4.537 -11.815 1.00 32.52 O ATOM 0 H SER A 47 4.052 -5.243 -9.404 1.00 21.54 H new ATOM 0 HA SER A 47 5.963 -4.111 -11.161 1.00 2.21 H new ATOM 0 HB2 SER A 47 3.194 -3.224 -10.247 1.00 11.21 H new ATOM 0 HB3 SER A 47 4.055 -2.559 -11.620 1.00 11.21 H new ATOM 0 HG SER A 47 3.095 -5.229 -11.243 1.00 32.52 H new ATOM 663 N LEU A 48 5.822 -2.661 -8.255 1.00 41.32 N ATOM 664 CA LEU A 48 6.434 -1.640 -7.415 1.00 21.34 C ATOM 665 C LEU A 48 7.897 -2.018 -7.212 1.00 21.33 C ATOM 666 O LEU A 48 8.779 -1.177 -7.373 1.00 40.44 O ATOM 667 CB LEU A 48 5.759 -1.534 -6.033 1.00 42.32 C ATOM 668 CG LEU A 48 4.230 -1.373 -6.035 1.00 34.54 C ATOM 669 CD1 LEU A 48 3.767 -0.909 -4.653 1.00 53.12 C ATOM 670 CD2 LEU A 48 3.754 -0.368 -7.078 1.00 22.31 C ATOM 0 H LEU A 48 5.300 -3.361 -7.728 1.00 41.32 H new ATOM 0 HA LEU A 48 6.323 -0.676 -7.911 1.00 21.34 H new ATOM 0 HB2 LEU A 48 6.009 -2.427 -5.460 1.00 42.32 H new ATOM 0 HB3 LEU A 48 6.192 -0.685 -5.504 1.00 42.32 H new ATOM 0 HG LEU A 48 3.801 -2.343 -6.285 1.00 34.54 H new ATOM 0 HD11 LEU A 48 2.683 -0.794 -4.652 1.00 53.12 H new ATOM 0 HD12 LEU A 48 4.054 -1.649 -3.906 1.00 53.12 H new ATOM 0 HD13 LEU A 48 4.233 0.047 -4.415 1.00 53.12 H new ATOM 0 HD21 LEU A 48 2.667 -0.290 -7.039 1.00 22.31 H new ATOM 0 HD22 LEU A 48 4.195 0.607 -6.871 1.00 22.31 H new ATOM 0 HD23 LEU A 48 4.059 -0.701 -8.070 1.00 22.31 H new ATOM 682 N VAL A 49 8.148 -3.280 -6.846 1.00 14.34 N ATOM 683 CA VAL A 49 9.467 -3.845 -6.591 1.00 65.43 C ATOM 684 C VAL A 49 10.374 -3.641 -7.812 1.00 11.14 C ATOM 685 O VAL A 49 11.505 -3.190 -7.636 1.00 65.32 O ATOM 686 CB VAL A 49 9.332 -5.318 -6.141 1.00 4.45 C ATOM 687 CG1 VAL A 49 10.694 -5.957 -5.835 1.00 12.34 C ATOM 688 CG2 VAL A 49 8.464 -5.419 -4.876 1.00 24.30 C ATOM 0 H VAL A 49 7.400 -3.961 -6.715 1.00 14.34 H new ATOM 0 HA VAL A 49 9.953 -3.322 -5.768 1.00 65.43 H new ATOM 0 HB VAL A 49 8.867 -5.852 -6.970 1.00 4.45 H new ATOM 0 HG11 VAL A 49 10.549 -6.991 -5.523 1.00 12.34 H new ATOM 0 HG12 VAL A 49 11.317 -5.932 -6.729 1.00 12.34 H new ATOM 0 HG13 VAL A 49 11.185 -5.402 -5.035 1.00 12.34 H new ATOM 0 HG21 VAL A 49 8.380 -6.463 -4.574 1.00 24.30 H new ATOM 0 HG22 VAL A 49 8.924 -4.845 -4.072 1.00 24.30 H new ATOM 0 HG23 VAL A 49 7.471 -5.021 -5.083 1.00 24.30 H new ATOM 698 N GLN A 50 9.879 -3.884 -9.033 1.00 24.11 N ATOM 699 CA GLN A 50 10.657 -3.700 -10.261 1.00 0.42 C ATOM 700 C GLN A 50 11.179 -2.256 -10.337 1.00 32.31 C ATOM 701 O GLN A 50 12.363 -2.022 -10.599 1.00 32.23 O ATOM 702 CB GLN A 50 9.788 -4.019 -11.495 1.00 2.21 C ATOM 703 CG GLN A 50 9.482 -5.512 -11.688 1.00 72.33 C ATOM 704 CD GLN A 50 10.732 -6.310 -12.059 1.00 32.24 C ATOM 705 OE1 GLN A 50 11.162 -6.326 -13.209 1.00 73.12 O ATOM 706 NE2 GLN A 50 11.339 -6.987 -11.101 1.00 52.41 N ATOM 0 H GLN A 50 8.927 -4.214 -9.195 1.00 24.11 H new ATOM 0 HA GLN A 50 11.506 -4.383 -10.248 1.00 0.42 H new ATOM 0 HB2 GLN A 50 8.847 -3.476 -11.411 1.00 2.21 H new ATOM 0 HB3 GLN A 50 10.293 -3.646 -12.386 1.00 2.21 H new ATOM 0 HG2 GLN A 50 9.053 -5.916 -10.771 1.00 72.33 H new ATOM 0 HG3 GLN A 50 8.731 -5.630 -12.470 1.00 72.33 H new ATOM 0 HE21 GLN A 50 10.972 -6.965 -10.150 1.00 52.41 H new ATOM 0 HE22 GLN A 50 12.175 -7.531 -11.312 1.00 52.41 H new ATOM 715 N SER A 51 10.305 -1.280 -10.095 1.00 12.30 N ATOM 716 CA SER A 51 10.650 0.132 -10.123 1.00 65.24 C ATOM 717 C SER A 51 11.593 0.491 -8.955 1.00 62.11 C ATOM 718 O SER A 51 12.452 1.365 -9.101 1.00 51.11 O ATOM 719 CB SER A 51 9.332 0.912 -10.157 1.00 22.32 C ATOM 720 OG SER A 51 9.544 2.303 -10.157 1.00 34.30 O ATOM 0 H SER A 51 9.325 -1.455 -9.871 1.00 12.30 H new ATOM 0 HA SER A 51 11.223 0.402 -11.010 1.00 65.24 H new ATOM 0 HB2 SER A 51 8.767 0.631 -11.046 1.00 22.32 H new ATOM 0 HB3 SER A 51 8.726 0.637 -9.294 1.00 22.32 H new ATOM 0 HG SER A 51 8.680 2.766 -10.181 1.00 34.30 H new ATOM 726 N ILE A 52 11.466 -0.155 -7.789 1.00 20.11 N ATOM 727 CA ILE A 52 12.337 0.103 -6.639 1.00 2.21 C ATOM 728 C ILE A 52 13.749 -0.354 -7.035 1.00 41.43 C ATOM 729 O ILE A 52 14.707 0.394 -6.829 1.00 0.05 O ATOM 730 CB ILE A 52 11.779 -0.558 -5.351 1.00 21.32 C ATOM 731 CG1 ILE A 52 10.504 0.195 -4.903 1.00 74.54 C ATOM 732 CG2 ILE A 52 12.806 -0.556 -4.202 1.00 74.21 C ATOM 733 CD1 ILE A 52 9.661 -0.552 -3.863 1.00 42.42 C ATOM 0 H ILE A 52 10.758 -0.869 -7.618 1.00 20.11 H new ATOM 0 HA ILE A 52 12.378 1.163 -6.389 1.00 2.21 H new ATOM 0 HB ILE A 52 11.549 -1.598 -5.584 1.00 21.32 H new ATOM 0 HG12 ILE A 52 10.793 1.162 -4.492 1.00 74.54 H new ATOM 0 HG13 ILE A 52 9.887 0.393 -5.779 1.00 74.54 H new ATOM 0 HG21 ILE A 52 12.369 -1.029 -3.323 1.00 74.21 H new ATOM 0 HG22 ILE A 52 13.695 -1.108 -4.507 1.00 74.21 H new ATOM 0 HG23 ILE A 52 13.082 0.471 -3.962 1.00 74.21 H new ATOM 0 HD11 ILE A 52 8.787 0.046 -3.605 1.00 42.42 H new ATOM 0 HD12 ILE A 52 9.337 -1.508 -4.275 1.00 42.42 H new ATOM 0 HD13 ILE A 52 10.258 -0.727 -2.968 1.00 42.42 H new ATOM 745 N GLN A 53 13.886 -1.541 -7.645 1.00 14.11 N ATOM 746 CA GLN A 53 15.176 -2.063 -8.084 1.00 74.22 C ATOM 747 C GLN A 53 15.842 -1.098 -9.063 1.00 23.32 C ATOM 748 O GLN A 53 17.046 -0.888 -8.956 1.00 40.14 O ATOM 749 CB GLN A 53 15.032 -3.414 -8.794 1.00 13.43 C ATOM 750 CG GLN A 53 14.794 -4.622 -7.886 1.00 43.52 C ATOM 751 CD GLN A 53 14.904 -5.874 -8.747 1.00 32.44 C ATOM 752 OE1 GLN A 53 14.083 -6.096 -9.630 1.00 21.15 O ATOM 753 NE2 GLN A 53 15.960 -6.655 -8.596 1.00 74.53 N ATOM 0 H GLN A 53 13.101 -2.161 -7.845 1.00 14.11 H new ATOM 0 HA GLN A 53 15.782 -2.184 -7.186 1.00 74.22 H new ATOM 0 HB2 GLN A 53 14.204 -3.346 -9.500 1.00 13.43 H new ATOM 0 HB3 GLN A 53 15.935 -3.594 -9.378 1.00 13.43 H new ATOM 0 HG2 GLN A 53 15.528 -4.646 -7.080 1.00 43.52 H new ATOM 0 HG3 GLN A 53 13.810 -4.563 -7.420 1.00 43.52 H new ATOM 0 HE21 GLN A 53 16.637 -6.461 -7.858 1.00 74.53 H new ATOM 0 HE22 GLN A 53 16.098 -7.452 -9.218 1.00 74.53 H new ATOM 762 N SER A 54 15.080 -0.507 -9.991 1.00 14.20 N ATOM 763 CA SER A 54 15.606 0.426 -10.981 1.00 3.00 C ATOM 764 C SER A 54 16.414 1.542 -10.307 1.00 22.11 C ATOM 765 O SER A 54 17.504 1.886 -10.771 1.00 23.21 O ATOM 766 CB SER A 54 14.441 0.998 -11.805 1.00 0.44 C ATOM 767 OG SER A 54 14.906 1.567 -13.017 1.00 24.10 O ATOM 0 H SER A 54 14.076 -0.667 -10.072 1.00 14.20 H new ATOM 0 HA SER A 54 16.286 -0.102 -11.650 1.00 3.00 H new ATOM 0 HB2 SER A 54 13.723 0.208 -12.022 1.00 0.44 H new ATOM 0 HB3 SER A 54 13.916 1.755 -11.222 1.00 0.44 H new ATOM 0 HG SER A 54 14.146 1.922 -13.524 1.00 24.10 H new ATOM 773 N LEU A 55 15.882 2.114 -9.225 1.00 11.41 N ATOM 774 CA LEU A 55 16.528 3.191 -8.488 1.00 32.43 C ATOM 775 C LEU A 55 17.660 2.639 -7.615 1.00 15.12 C ATOM 776 O LEU A 55 18.773 3.170 -7.647 1.00 22.34 O ATOM 777 CB LEU A 55 15.457 3.974 -7.704 1.00 42.21 C ATOM 778 CG LEU A 55 14.748 5.084 -8.515 1.00 3.14 C ATOM 779 CD1 LEU A 55 15.698 6.217 -8.919 1.00 41.14 C ATOM 780 CD2 LEU A 55 14.041 4.592 -9.786 1.00 12.15 C ATOM 0 H LEU A 55 14.981 1.836 -8.835 1.00 11.41 H new ATOM 0 HA LEU A 55 17.004 3.896 -9.170 1.00 32.43 H new ATOM 0 HB2 LEU A 55 14.706 3.272 -7.340 1.00 42.21 H new ATOM 0 HB3 LEU A 55 15.924 4.424 -6.828 1.00 42.21 H new ATOM 0 HG LEU A 55 13.992 5.450 -7.821 1.00 3.14 H new ATOM 0 HD11 LEU A 55 15.148 6.968 -9.486 1.00 41.14 H new ATOM 0 HD12 LEU A 55 16.120 6.674 -8.024 1.00 41.14 H new ATOM 0 HD13 LEU A 55 16.503 5.815 -9.535 1.00 41.14 H new ATOM 0 HD21 LEU A 55 13.572 5.436 -10.291 1.00 12.15 H new ATOM 0 HD22 LEU A 55 14.770 4.130 -10.452 1.00 12.15 H new ATOM 0 HD23 LEU A 55 13.279 3.860 -9.518 1.00 12.15 H new ATOM 792 N ALA A 56 17.416 1.544 -6.881 1.00 55.44 N ATOM 793 CA ALA A 56 18.413 0.911 -6.016 1.00 11.12 C ATOM 794 C ALA A 56 19.674 0.520 -6.803 1.00 63.35 C ATOM 795 O ALA A 56 20.787 0.636 -6.288 1.00 63.24 O ATOM 796 CB ALA A 56 17.801 -0.306 -5.315 1.00 63.43 C ATOM 0 H ALA A 56 16.512 1.071 -6.873 1.00 55.44 H new ATOM 0 HA ALA A 56 18.718 1.634 -5.259 1.00 11.12 H new ATOM 0 HB1 ALA A 56 18.550 -0.771 -4.673 1.00 63.43 H new ATOM 0 HB2 ALA A 56 16.952 0.011 -4.710 1.00 63.43 H new ATOM 0 HB3 ALA A 56 17.466 -1.026 -6.062 1.00 63.43 H new ATOM 802 N ALA A 57 19.524 0.134 -8.076 1.00 72.23 N ATOM 803 CA ALA A 57 20.615 -0.250 -8.965 1.00 3.12 C ATOM 804 C ALA A 57 21.603 0.897 -9.198 1.00 32.31 C ATOM 805 O ALA A 57 22.717 0.669 -9.669 1.00 12.02 O ATOM 806 CB ALA A 57 20.043 -0.713 -10.309 1.00 23.25 C ATOM 0 H ALA A 57 18.610 0.080 -8.525 1.00 72.23 H new ATOM 0 HA ALA A 57 21.160 -1.063 -8.484 1.00 3.12 H new ATOM 0 HB1 ALA A 57 20.859 -1.000 -10.972 1.00 23.25 H new ATOM 0 HB2 ALA A 57 19.387 -1.569 -10.150 1.00 23.25 H new ATOM 0 HB3 ALA A 57 19.475 0.100 -10.762 1.00 23.25 H new ATOM 812 N GLN A 58 21.205 2.138 -8.927 1.00 73.13 N ATOM 813 CA GLN A 58 22.038 3.321 -9.074 1.00 51.54 C ATOM 814 C GLN A 58 22.421 3.868 -7.700 1.00 33.50 C ATOM 815 O GLN A 58 23.282 4.741 -7.630 1.00 44.42 O ATOM 816 CB GLN A 58 21.301 4.378 -9.912 1.00 14.13 C ATOM 817 CG GLN A 58 20.986 3.897 -11.335 1.00 5.22 C ATOM 818 CD GLN A 58 22.244 3.627 -12.158 1.00 4.31 C ATOM 819 OE1 GLN A 58 22.769 4.518 -12.826 1.00 52.11 O ATOM 820 NE2 GLN A 58 22.783 2.416 -12.141 1.00 41.01 N ATOM 0 H GLN A 58 20.266 2.350 -8.590 1.00 73.13 H new ATOM 0 HA GLN A 58 22.957 3.055 -9.596 1.00 51.54 H new ATOM 0 HB2 GLN A 58 20.372 4.648 -9.411 1.00 14.13 H new ATOM 0 HB3 GLN A 58 21.909 5.281 -9.965 1.00 14.13 H new ATOM 0 HG2 GLN A 58 20.389 2.987 -11.283 1.00 5.22 H new ATOM 0 HG3 GLN A 58 20.379 4.647 -11.842 1.00 5.22 H new ATOM 0 HE21 GLN A 58 22.352 1.674 -11.589 1.00 41.01 H new ATOM 0 HE22 GLN A 58 23.628 2.226 -12.679 1.00 41.01 H new ATOM 829 N GLY A 59 21.786 3.391 -6.624 1.00 11.21 N ATOM 830 CA GLY A 59 22.056 3.846 -5.273 1.00 5.04 C ATOM 831 C GLY A 59 21.509 5.258 -5.087 1.00 43.54 C ATOM 832 O GLY A 59 22.093 6.048 -4.346 1.00 61.51 O ATOM 0 H GLY A 59 21.065 2.672 -6.676 1.00 11.21 H new ATOM 0 HA2 GLY A 59 21.596 3.170 -4.552 1.00 5.04 H new ATOM 0 HA3 GLY A 59 23.129 3.833 -5.082 1.00 5.04 H new ATOM 836 N ARG A 60 20.455 5.624 -5.824 1.00 2.33 N ATOM 837 CA ARG A 60 19.800 6.927 -5.797 1.00 45.32 C ATOM 838 C ARG A 60 18.326 6.685 -5.557 1.00 24.40 C ATOM 839 O ARG A 60 17.782 5.755 -6.140 1.00 33.14 O ATOM 840 CB ARG A 60 19.917 7.620 -7.170 1.00 64.54 C ATOM 841 CG ARG A 60 21.152 8.494 -7.385 1.00 3.22 C ATOM 842 CD ARG A 60 22.425 7.667 -7.509 1.00 34.23 C ATOM 843 NE ARG A 60 23.538 8.469 -8.018 1.00 20.24 N ATOM 844 CZ ARG A 60 23.800 8.696 -9.306 1.00 4.23 C ATOM 845 NH1 ARG A 60 22.964 8.322 -10.274 1.00 21.11 N ATOM 846 NH2 ARG A 60 24.922 9.317 -9.614 1.00 21.20 N ATOM 0 H ARG A 60 20.017 4.984 -6.487 1.00 2.33 H new ATOM 0 HA ARG A 60 20.261 7.547 -5.028 1.00 45.32 H new ATOM 0 HB2 ARG A 60 19.903 6.852 -7.943 1.00 64.54 H new ATOM 0 HB3 ARG A 60 19.031 8.237 -7.318 1.00 64.54 H new ATOM 0 HG2 ARG A 60 21.020 9.092 -8.287 1.00 3.22 H new ATOM 0 HG3 ARG A 60 21.252 9.190 -6.552 1.00 3.22 H new ATOM 0 HD2 ARG A 60 22.688 7.254 -6.535 1.00 34.23 H new ATOM 0 HD3 ARG A 60 22.248 6.823 -8.176 1.00 34.23 H new ATOM 0 HE ARG A 60 24.165 8.889 -7.332 1.00 20.24 H new ATOM 0 HH11 ARG A 60 22.093 7.846 -10.040 1.00 21.11 H new ATOM 0 HH12 ARG A 60 23.195 8.511 -11.249 1.00 21.11 H new ATOM 0 HH21 ARG A 60 25.562 9.610 -8.876 1.00 21.20 H new ATOM 0 HH22 ARG A 60 25.150 9.505 -10.590 1.00 21.20 H new ATOM 860 N THR A 61 17.683 7.523 -4.755 1.00 25.34 N ATOM 861 CA THR A 61 16.262 7.419 -4.477 1.00 13.10 C ATOM 862 C THR A 61 15.779 8.822 -4.120 1.00 63.55 C ATOM 863 O THR A 61 15.884 9.231 -2.960 1.00 64.43 O ATOM 864 CB THR A 61 15.933 6.400 -3.360 1.00 73.21 C ATOM 865 OG1 THR A 61 16.932 6.365 -2.359 1.00 40.02 O ATOM 866 CG2 THR A 61 15.699 4.974 -3.859 1.00 60.13 C ATOM 0 H THR A 61 18.139 8.300 -4.276 1.00 25.34 H new ATOM 0 HA THR A 61 15.744 7.036 -5.357 1.00 13.10 H new ATOM 0 HB THR A 61 14.995 6.766 -2.943 1.00 73.21 H new ATOM 0 HG1 THR A 61 16.685 5.711 -1.673 1.00 40.02 H new ATOM 0 HG21 THR A 61 15.475 4.325 -3.013 1.00 60.13 H new ATOM 0 HG22 THR A 61 14.861 4.965 -4.555 1.00 60.13 H new ATOM 0 HG23 THR A 61 16.595 4.614 -4.365 1.00 60.13 H new ATOM 874 N SER A 62 15.294 9.598 -5.089 1.00 74.32 N ATOM 875 CA SER A 62 14.782 10.935 -4.818 1.00 3.13 C ATOM 876 C SER A 62 13.576 10.785 -3.879 1.00 53.41 C ATOM 877 O SER A 62 12.844 9.794 -4.000 1.00 12.02 O ATOM 878 CB SER A 62 14.370 11.629 -6.126 1.00 5.11 C ATOM 879 OG SER A 62 15.479 11.806 -6.984 1.00 4.03 O ATOM 0 H SER A 62 15.246 9.320 -6.069 1.00 74.32 H new ATOM 0 HA SER A 62 15.550 11.552 -4.352 1.00 3.13 H new ATOM 0 HB2 SER A 62 13.608 11.035 -6.631 1.00 5.11 H new ATOM 0 HB3 SER A 62 13.923 12.597 -5.901 1.00 5.11 H new ATOM 0 HG SER A 62 15.187 12.248 -7.809 1.00 4.03 H new ATOM 885 N PRO A 63 13.331 11.721 -2.948 1.00 52.32 N ATOM 886 CA PRO A 63 12.195 11.635 -2.038 1.00 52.14 C ATOM 887 C PRO A 63 10.917 11.614 -2.865 1.00 13.52 C ATOM 888 O PRO A 63 10.159 10.655 -2.788 1.00 52.52 O ATOM 889 CB PRO A 63 12.304 12.835 -1.097 1.00 62.54 C ATOM 890 CG PRO A 63 13.154 13.824 -1.890 1.00 1.21 C ATOM 891 CD PRO A 63 14.095 12.927 -2.691 1.00 22.25 C ATOM 0 HA PRO A 63 12.183 10.727 -1.435 1.00 52.14 H new ATOM 0 HB2 PRO A 63 11.325 13.248 -0.856 1.00 62.54 H new ATOM 0 HB3 PRO A 63 12.777 12.565 -0.153 1.00 62.54 H new ATOM 0 HG2 PRO A 63 12.541 14.446 -2.542 1.00 1.21 H new ATOM 0 HG3 PRO A 63 13.704 14.497 -1.232 1.00 1.21 H new ATOM 0 HD2 PRO A 63 14.402 13.406 -3.621 1.00 22.25 H new ATOM 0 HD3 PRO A 63 15.004 12.707 -2.131 1.00 22.25 H new ATOM 899 N ASN A 64 10.754 12.574 -3.781 1.00 3.04 N ATOM 900 CA ASN A 64 9.577 12.674 -4.633 1.00 31.44 C ATOM 901 C ASN A 64 9.374 11.412 -5.485 1.00 4.04 C ATOM 902 O ASN A 64 8.256 11.119 -5.887 1.00 73.41 O ATOM 903 CB ASN A 64 9.637 13.884 -5.578 1.00 61.42 C ATOM 904 CG ASN A 64 10.249 15.137 -4.983 1.00 5.43 C ATOM 905 OD1 ASN A 64 11.468 15.187 -4.820 1.00 21.43 O ATOM 906 ND2 ASN A 64 9.475 16.160 -4.710 1.00 74.21 N ATOM 0 H ASN A 64 11.444 13.306 -3.949 1.00 3.04 H new ATOM 0 HA ASN A 64 8.738 12.794 -3.947 1.00 31.44 H new ATOM 0 HB2 ASN A 64 10.208 13.605 -6.464 1.00 61.42 H new ATOM 0 HB3 ASN A 64 8.625 14.116 -5.911 1.00 61.42 H new ATOM 0 HD21 ASN A 64 9.880 17.025 -4.353 1.00 74.21 H new ATOM 0 HD22 ASN A 64 8.468 16.090 -4.855 1.00 74.21 H new ATOM 913 N LYS A 65 10.437 10.682 -5.854 1.00 15.42 N ATOM 914 CA LYS A 65 10.332 9.457 -6.658 1.00 13.20 C ATOM 915 C LYS A 65 9.751 8.346 -5.792 1.00 20.24 C ATOM 916 O LYS A 65 8.779 7.697 -6.178 1.00 1.31 O ATOM 917 CB LYS A 65 11.721 9.077 -7.217 1.00 13.03 C ATOM 918 CG LYS A 65 11.845 7.687 -7.866 1.00 25.11 C ATOM 919 CD LYS A 65 10.833 7.385 -8.980 1.00 34.24 C ATOM 920 CE LYS A 65 10.847 8.407 -10.123 1.00 72.35 C ATOM 921 NZ LYS A 65 11.925 8.182 -11.108 1.00 63.12 N ATOM 0 H LYS A 65 11.395 10.926 -5.602 1.00 15.42 H new ATOM 0 HA LYS A 65 9.668 9.616 -7.507 1.00 13.20 H new ATOM 0 HB2 LYS A 65 12.007 9.825 -7.956 1.00 13.03 H new ATOM 0 HB3 LYS A 65 12.444 9.139 -6.404 1.00 13.03 H new ATOM 0 HG2 LYS A 65 12.850 7.585 -8.275 1.00 25.11 H new ATOM 0 HG3 LYS A 65 11.739 6.931 -7.088 1.00 25.11 H new ATOM 0 HD2 LYS A 65 11.040 6.395 -9.387 1.00 34.24 H new ATOM 0 HD3 LYS A 65 9.832 7.349 -8.549 1.00 34.24 H new ATOM 0 HE2 LYS A 65 9.886 8.378 -10.636 1.00 72.35 H new ATOM 0 HE3 LYS A 65 10.954 9.407 -9.703 1.00 72.35 H new ATOM 0 HZ1 LYS A 65 11.874 8.908 -11.851 1.00 63.12 H new ATOM 0 HZ2 LYS A 65 12.848 8.238 -10.632 1.00 63.12 H new ATOM 0 HZ3 LYS A 65 11.813 7.241 -11.536 1.00 63.12 H new ATOM 935 N LEU A 66 10.341 8.143 -4.616 1.00 14.53 N ATOM 936 CA LEU A 66 9.914 7.122 -3.670 1.00 12.21 C ATOM 937 C LEU A 66 8.496 7.436 -3.160 1.00 20.14 C ATOM 938 O LEU A 66 7.679 6.539 -2.944 1.00 14.12 O ATOM 939 CB LEU A 66 10.982 7.041 -2.564 1.00 41.05 C ATOM 940 CG LEU A 66 11.205 5.616 -2.039 1.00 72.13 C ATOM 941 CD1 LEU A 66 11.929 4.772 -3.098 1.00 64.32 C ATOM 942 CD2 LEU A 66 12.072 5.663 -0.778 1.00 20.21 C ATOM 0 H LEU A 66 11.138 8.691 -4.292 1.00 14.53 H new ATOM 0 HA LEU A 66 9.838 6.138 -4.132 1.00 12.21 H new ATOM 0 HB2 LEU A 66 11.924 7.431 -2.949 1.00 41.05 H new ATOM 0 HB3 LEU A 66 10.686 7.684 -1.735 1.00 41.05 H new ATOM 0 HG LEU A 66 10.236 5.171 -1.813 1.00 72.13 H new ATOM 0 HD11 LEU A 66 12.083 3.763 -2.716 1.00 64.32 H new ATOM 0 HD12 LEU A 66 11.325 4.729 -4.004 1.00 64.32 H new ATOM 0 HD13 LEU A 66 12.894 5.224 -3.326 1.00 64.32 H new ATOM 0 HD21 LEU A 66 12.229 4.650 -0.407 1.00 20.21 H new ATOM 0 HD22 LEU A 66 13.035 6.116 -1.015 1.00 20.21 H new ATOM 0 HD23 LEU A 66 11.570 6.256 -0.013 1.00 20.21 H new ATOM 954 N GLN A 67 8.174 8.722 -3.026 1.00 11.21 N ATOM 955 CA GLN A 67 6.883 9.221 -2.592 1.00 11.23 C ATOM 956 C GLN A 67 5.870 9.000 -3.714 1.00 4.33 C ATOM 957 O GLN A 67 4.768 8.544 -3.441 1.00 11.01 O ATOM 958 CB GLN A 67 7.027 10.692 -2.208 1.00 61.24 C ATOM 959 CG GLN A 67 5.795 11.265 -1.504 1.00 24.35 C ATOM 960 CD GLN A 67 6.207 12.553 -0.805 1.00 42.23 C ATOM 961 OE1 GLN A 67 6.600 13.518 -1.457 1.00 41.24 O ATOM 962 NE2 GLN A 67 6.241 12.558 0.514 1.00 12.12 N ATOM 0 H GLN A 67 8.838 9.470 -3.227 1.00 11.21 H new ATOM 0 HA GLN A 67 6.522 8.688 -1.713 1.00 11.23 H new ATOM 0 HB2 GLN A 67 7.893 10.806 -1.556 1.00 61.24 H new ATOM 0 HB3 GLN A 67 7.226 11.276 -3.107 1.00 61.24 H new ATOM 0 HG2 GLN A 67 5.001 11.460 -2.225 1.00 24.35 H new ATOM 0 HG3 GLN A 67 5.402 10.549 -0.782 1.00 24.35 H new ATOM 0 HE21 GLN A 67 5.910 11.747 1.036 1.00 12.12 H new ATOM 0 HE22 GLN A 67 6.598 13.373 1.012 1.00 12.12 H new ATOM 971 N ALA A 68 6.223 9.257 -4.981 1.00 2.23 N ATOM 972 CA ALA A 68 5.314 9.042 -6.105 1.00 3.14 C ATOM 973 C ALA A 68 4.905 7.570 -6.179 1.00 64.45 C ATOM 974 O ALA A 68 3.801 7.264 -6.638 1.00 54.41 O ATOM 975 CB ALA A 68 5.946 9.509 -7.416 1.00 11.23 C ATOM 0 H ALA A 68 7.139 9.616 -5.250 1.00 2.23 H new ATOM 0 HA ALA A 68 4.416 9.638 -5.945 1.00 3.14 H new ATOM 0 HB1 ALA A 68 5.249 9.338 -8.237 1.00 11.23 H new ATOM 0 HB2 ALA A 68 6.176 10.572 -7.351 1.00 11.23 H new ATOM 0 HB3 ALA A 68 6.864 8.950 -7.597 1.00 11.23 H new ATOM 981 N LEU A 69 5.781 6.660 -5.739 1.00 61.22 N ATOM 982 CA LEU A 69 5.558 5.225 -5.696 1.00 51.13 C ATOM 983 C LEU A 69 4.484 4.979 -4.626 1.00 1.04 C ATOM 984 O LEU A 69 3.547 4.218 -4.859 1.00 22.43 O ATOM 985 CB LEU A 69 6.923 4.535 -5.445 1.00 13.42 C ATOM 986 CG LEU A 69 6.979 3.455 -4.351 1.00 61.34 C ATOM 987 CD1 LEU A 69 6.306 2.149 -4.789 1.00 75.24 C ATOM 988 CD2 LEU A 69 8.434 3.159 -3.980 1.00 65.12 C ATOM 0 H LEU A 69 6.702 6.923 -5.390 1.00 61.22 H new ATOM 0 HA LEU A 69 5.183 4.796 -6.625 1.00 51.13 H new ATOM 0 HB2 LEU A 69 7.249 4.083 -6.382 1.00 13.42 H new ATOM 0 HB3 LEU A 69 7.650 5.307 -5.194 1.00 13.42 H new ATOM 0 HG LEU A 69 6.437 3.847 -3.490 1.00 61.34 H new ATOM 0 HD11 LEU A 69 6.371 1.418 -3.983 1.00 75.24 H new ATOM 0 HD12 LEU A 69 5.258 2.340 -5.022 1.00 75.24 H new ATOM 0 HD13 LEU A 69 6.809 1.759 -5.674 1.00 75.24 H new ATOM 0 HD21 LEU A 69 8.463 2.393 -3.205 1.00 65.12 H new ATOM 0 HD22 LEU A 69 8.969 2.804 -4.861 1.00 65.12 H new ATOM 0 HD23 LEU A 69 8.907 4.068 -3.610 1.00 65.12 H new ATOM 1000 N ASN A 70 4.590 5.648 -3.473 1.00 33.33 N ATOM 1001 CA ASN A 70 3.643 5.536 -2.364 1.00 43.44 C ATOM 1002 C ASN A 70 2.281 6.083 -2.777 1.00 32.20 C ATOM 1003 O ASN A 70 1.270 5.425 -2.542 1.00 65.53 O ATOM 1004 CB ASN A 70 4.164 6.256 -1.115 1.00 74.21 C ATOM 1005 CG ASN A 70 5.029 5.324 -0.295 1.00 43.11 C ATOM 1006 OD1 ASN A 70 4.504 4.579 0.520 1.00 61.13 O ATOM 1007 ND2 ASN A 70 6.336 5.306 -0.509 1.00 0.34 N ATOM 0 H ASN A 70 5.354 6.296 -3.283 1.00 33.33 H new ATOM 0 HA ASN A 70 3.533 4.481 -2.114 1.00 43.44 H new ATOM 0 HB2 ASN A 70 4.739 7.135 -1.407 1.00 74.21 H new ATOM 0 HB3 ASN A 70 3.326 6.609 -0.514 1.00 74.21 H new ATOM 0 HD21 ASN A 70 6.929 4.660 0.012 1.00 0.34 H new ATOM 0 HD22 ASN A 70 6.749 5.938 -1.195 1.00 0.34 H new ATOM 1014 N MET A 71 2.228 7.241 -3.436 1.00 5.34 N ATOM 1015 CA MET A 71 0.968 7.826 -3.893 1.00 20.10 C ATOM 1016 C MET A 71 0.319 6.837 -4.869 1.00 40.04 C ATOM 1017 O MET A 71 -0.842 6.468 -4.703 1.00 53.32 O ATOM 1018 CB MET A 71 1.205 9.215 -4.509 1.00 73.43 C ATOM 1019 CG MET A 71 1.754 10.178 -3.447 1.00 15.01 C ATOM 1020 SD MET A 71 1.867 11.921 -3.918 1.00 60.52 S ATOM 1021 CE MET A 71 3.306 11.913 -5.013 1.00 41.35 C ATOM 0 H MET A 71 3.052 7.796 -3.667 1.00 5.34 H new ATOM 0 HA MET A 71 0.286 7.989 -3.059 1.00 20.10 H new ATOM 0 HB2 MET A 71 1.908 9.138 -5.339 1.00 73.43 H new ATOM 0 HB3 MET A 71 0.272 9.604 -4.916 1.00 73.43 H new ATOM 0 HG2 MET A 71 1.123 10.104 -2.561 1.00 15.01 H new ATOM 0 HG3 MET A 71 2.749 9.837 -3.159 1.00 15.01 H new ATOM 0 HE1 MET A 71 3.611 12.939 -5.221 1.00 41.35 H new ATOM 0 HE2 MET A 71 4.127 11.381 -4.531 1.00 41.35 H new ATOM 0 HE3 MET A 71 3.049 11.414 -5.947 1.00 41.35 H new ATOM 1031 N ALA A 72 1.098 6.316 -5.827 1.00 11.03 N ATOM 1032 CA ALA A 72 0.620 5.351 -6.809 1.00 1.52 C ATOM 1033 C ALA A 72 0.132 4.051 -6.146 1.00 52.25 C ATOM 1034 O ALA A 72 -0.766 3.404 -6.679 1.00 13.24 O ATOM 1035 CB ALA A 72 1.709 5.092 -7.847 1.00 40.43 C ATOM 0 H ALA A 72 2.083 6.558 -5.937 1.00 11.03 H new ATOM 0 HA ALA A 72 -0.247 5.773 -7.317 1.00 1.52 H new ATOM 0 HB1 ALA A 72 1.349 4.370 -8.580 1.00 40.43 H new ATOM 0 HB2 ALA A 72 1.961 6.025 -8.351 1.00 40.43 H new ATOM 0 HB3 ALA A 72 2.596 4.695 -7.353 1.00 40.43 H new ATOM 1041 N PHE A 73 0.679 3.652 -4.993 1.00 44.51 N ATOM 1042 CA PHE A 73 0.262 2.445 -4.286 1.00 0.00 C ATOM 1043 C PHE A 73 -1.197 2.616 -3.853 1.00 13.23 C ATOM 1044 O PHE A 73 -2.012 1.722 -4.087 1.00 33.24 O ATOM 1045 CB PHE A 73 1.200 2.191 -3.096 1.00 53.02 C ATOM 1046 CG PHE A 73 0.875 0.998 -2.221 1.00 72.11 C ATOM 1047 CD1 PHE A 73 0.869 1.146 -0.820 1.00 15.12 C ATOM 1048 CD2 PHE A 73 0.606 -0.262 -2.786 1.00 15.51 C ATOM 1049 CE1 PHE A 73 0.545 0.061 0.010 1.00 23.40 C ATOM 1050 CE2 PHE A 73 0.332 -1.357 -1.951 1.00 32.30 C ATOM 1051 CZ PHE A 73 0.277 -1.196 -0.557 1.00 41.44 C ATOM 0 H PHE A 73 1.427 4.163 -4.525 1.00 44.51 H new ATOM 0 HA PHE A 73 0.326 1.571 -4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.212 2.066 -3.480 1.00 53.02 H new ATOM 0 HB3 PHE A 73 1.205 3.083 -2.469 1.00 53.02 H new ATOM 0 HD1 PHE A 73 1.116 2.101 -0.381 1.00 15.12 H new ATOM 0 HD2 PHE A 73 0.610 -0.387 -3.859 1.00 15.51 H new ATOM 0 HE1 PHE A 73 0.502 0.192 1.081 1.00 23.40 H new ATOM 0 HE2 PHE A 73 0.162 -2.331 -2.384 1.00 32.30 H new ATOM 0 HZ PHE A 73 0.030 -2.035 0.076 1.00 41.44 H new ATOM 1061 N ALA A 74 -1.523 3.769 -3.253 1.00 1.00 N ATOM 1062 CA ALA A 74 -2.869 4.105 -2.800 1.00 22.21 C ATOM 1063 C ALA A 74 -3.790 4.234 -4.025 1.00 51.33 C ATOM 1064 O ALA A 74 -4.924 3.759 -4.017 1.00 23.10 O ATOM 1065 CB ALA A 74 -2.845 5.416 -2.019 1.00 32.31 C ATOM 0 H ALA A 74 -0.841 4.505 -3.068 1.00 1.00 H new ATOM 0 HA ALA A 74 -3.243 3.319 -2.144 1.00 22.21 H new ATOM 0 HB1 ALA A 74 -3.854 5.659 -1.685 1.00 32.31 H new ATOM 0 HB2 ALA A 74 -2.191 5.312 -1.153 1.00 32.31 H new ATOM 0 HB3 ALA A 74 -2.473 6.215 -2.660 1.00 32.31 H new ATOM 1071 N SER A 75 -3.282 4.845 -5.099 1.00 23.23 N ATOM 1072 CA SER A 75 -3.970 5.055 -6.368 1.00 4.34 C ATOM 1073 C SER A 75 -4.428 3.695 -6.917 1.00 71.12 C ATOM 1074 O SER A 75 -5.573 3.544 -7.350 1.00 61.31 O ATOM 1075 CB SER A 75 -2.966 5.763 -7.292 1.00 33.12 C ATOM 1076 OG SER A 75 -3.506 6.462 -8.389 1.00 5.40 O ATOM 0 H SER A 75 -2.335 5.223 -5.104 1.00 23.23 H new ATOM 0 HA SER A 75 -4.865 5.670 -6.272 1.00 4.34 H new ATOM 0 HB2 SER A 75 -2.387 6.465 -6.692 1.00 33.12 H new ATOM 0 HB3 SER A 75 -2.268 5.017 -7.673 1.00 33.12 H new ATOM 0 HG SER A 75 -4.342 6.897 -8.120 1.00 5.40 H new ATOM 1082 N SER A 76 -3.547 2.690 -6.886 1.00 15.10 N ATOM 1083 CA SER A 76 -3.837 1.346 -7.357 1.00 13.32 C ATOM 1084 C SER A 76 -4.921 0.700 -6.493 1.00 32.24 C ATOM 1085 O SER A 76 -5.793 0.002 -7.021 1.00 32.24 O ATOM 1086 CB SER A 76 -2.554 0.518 -7.316 1.00 34.14 C ATOM 1087 OG SER A 76 -1.624 0.986 -8.270 1.00 74.21 O ATOM 0 H SER A 76 -2.599 2.797 -6.526 1.00 15.10 H new ATOM 0 HA SER A 76 -4.207 1.390 -8.381 1.00 13.32 H new ATOM 0 HB2 SER A 76 -2.116 0.568 -6.319 1.00 34.14 H new ATOM 0 HB3 SER A 76 -2.785 -0.529 -7.510 1.00 34.14 H new ATOM 0 HG SER A 76 -1.205 1.809 -7.942 1.00 74.21 H new ATOM 1093 N LEU A 77 -4.880 0.929 -5.174 1.00 61.24 N ATOM 1094 CA LEU A 77 -5.872 0.376 -4.266 1.00 41.42 C ATOM 1095 C LEU A 77 -7.244 0.936 -4.620 1.00 24.25 C ATOM 1096 O LEU A 77 -8.183 0.156 -4.639 1.00 11.13 O ATOM 1097 CB LEU A 77 -5.560 0.696 -2.796 1.00 72.53 C ATOM 1098 CG LEU A 77 -4.407 -0.101 -2.171 1.00 32.13 C ATOM 1099 CD1 LEU A 77 -4.114 0.468 -0.783 1.00 2.14 C ATOM 1100 CD2 LEU A 77 -4.741 -1.584 -2.014 1.00 14.43 C ATOM 0 H LEU A 77 -4.165 1.496 -4.719 1.00 61.24 H new ATOM 0 HA LEU A 77 -5.855 -0.708 -4.379 1.00 41.42 H new ATOM 0 HB2 LEU A 77 -5.328 1.758 -2.716 1.00 72.53 H new ATOM 0 HB3 LEU A 77 -6.460 0.521 -2.206 1.00 72.53 H new ATOM 0 HG LEU A 77 -3.548 -0.014 -2.837 1.00 32.13 H new ATOM 0 HD11 LEU A 77 -3.296 -0.089 -0.327 1.00 2.14 H new ATOM 0 HD12 LEU A 77 -3.833 1.517 -0.872 1.00 2.14 H new ATOM 0 HD13 LEU A 77 -5.004 0.382 -0.159 1.00 2.14 H new ATOM 0 HD21 LEU A 77 -3.893 -2.103 -1.568 1.00 14.43 H new ATOM 0 HD22 LEU A 77 -5.614 -1.694 -1.370 1.00 14.43 H new ATOM 0 HD23 LEU A 77 -4.955 -2.014 -2.992 1.00 14.43 H new ATOM 1112 N ALA A 78 -7.375 2.241 -4.894 1.00 55.01 N ATOM 1113 CA ALA A 78 -8.652 2.877 -5.237 1.00 72.11 C ATOM 1114 C ALA A 78 -9.299 2.209 -6.452 1.00 20.41 C ATOM 1115 O ALA A 78 -10.511 2.023 -6.429 1.00 43.52 O ATOM 1116 CB ALA A 78 -8.443 4.378 -5.464 1.00 52.32 C ATOM 0 H ALA A 78 -6.589 2.891 -4.883 1.00 55.01 H new ATOM 0 HA ALA A 78 -9.340 2.748 -4.402 1.00 72.11 H new ATOM 0 HB1 ALA A 78 -9.395 4.844 -5.718 1.00 52.32 H new ATOM 0 HB2 ALA A 78 -8.048 4.832 -4.555 1.00 52.32 H new ATOM 0 HB3 ALA A 78 -7.737 4.528 -6.280 1.00 52.32 H new ATOM 1122 N GLU A 79 -8.524 1.791 -7.459 1.00 43.02 N ATOM 1123 CA GLU A 79 -9.076 1.143 -8.650 1.00 63.12 C ATOM 1124 C GLU A 79 -9.736 -0.192 -8.274 1.00 22.13 C ATOM 1125 O GLU A 79 -10.927 -0.399 -8.500 1.00 1.00 O ATOM 1126 CB GLU A 79 -7.929 0.912 -9.656 1.00 42.45 C ATOM 1127 CG GLU A 79 -8.359 0.171 -10.937 1.00 64.14 C ATOM 1128 CD GLU A 79 -7.196 -0.410 -11.748 1.00 23.55 C ATOM 1129 OE1 GLU A 79 -6.005 -0.168 -11.440 1.00 4.52 O ATOM 1130 OE2 GLU A 79 -7.448 -1.140 -12.734 1.00 72.21 O ATOM 0 H GLU A 79 -7.509 1.891 -7.471 1.00 43.02 H new ATOM 0 HA GLU A 79 -9.839 1.779 -9.099 1.00 63.12 H new ATOM 0 HB2 GLU A 79 -7.502 1.876 -9.932 1.00 42.45 H new ATOM 0 HB3 GLU A 79 -7.139 0.342 -9.166 1.00 42.45 H new ATOM 0 HG2 GLU A 79 -9.037 -0.638 -10.665 1.00 64.14 H new ATOM 0 HG3 GLU A 79 -8.920 0.858 -11.570 1.00 64.14 H new ATOM 1137 N ILE A 80 -8.999 -1.092 -7.615 1.00 1.01 N ATOM 1138 CA ILE A 80 -9.563 -2.390 -7.238 1.00 32.11 C ATOM 1139 C ILE A 80 -10.605 -2.190 -6.120 1.00 33.31 C ATOM 1140 O ILE A 80 -11.502 -3.012 -5.922 1.00 15.24 O ATOM 1141 CB ILE A 80 -8.443 -3.411 -6.920 1.00 52.33 C ATOM 1142 CG1 ILE A 80 -7.319 -3.461 -7.986 1.00 33.41 C ATOM 1143 CG2 ILE A 80 -9.041 -4.819 -6.739 1.00 32.34 C ATOM 1144 CD1 ILE A 80 -7.759 -3.895 -9.390 1.00 44.12 C ATOM 0 H ILE A 80 -8.028 -0.949 -7.336 1.00 1.01 H new ATOM 0 HA ILE A 80 -10.101 -2.834 -8.076 1.00 32.11 H new ATOM 0 HB ILE A 80 -7.982 -3.068 -5.994 1.00 52.33 H new ATOM 0 HG12 ILE A 80 -6.864 -2.473 -8.056 1.00 33.41 H new ATOM 0 HG13 ILE A 80 -6.544 -4.145 -7.640 1.00 33.41 H new ATOM 0 HG21 ILE A 80 -8.243 -5.527 -6.516 1.00 32.34 H new ATOM 0 HG22 ILE A 80 -9.756 -4.808 -5.917 1.00 32.34 H new ATOM 0 HG23 ILE A 80 -9.547 -5.120 -7.656 1.00 32.34 H new ATOM 0 HD11 ILE A 80 -6.897 -3.896 -10.057 1.00 44.12 H new ATOM 0 HD12 ILE A 80 -8.184 -4.898 -9.344 1.00 44.12 H new ATOM 0 HD13 ILE A 80 -8.509 -3.200 -9.767 1.00 44.12 H new ATOM 1156 N ALA A 81 -10.522 -1.085 -5.376 1.00 21.23 N ATOM 1157 CA ALA A 81 -11.469 -0.789 -4.327 1.00 53.42 C ATOM 1158 C ALA A 81 -12.790 -0.320 -4.964 1.00 43.12 C ATOM 1159 O ALA A 81 -13.844 -0.573 -4.383 1.00 52.45 O ATOM 1160 CB ALA A 81 -10.894 0.190 -3.301 1.00 63.11 C ATOM 0 H ALA A 81 -9.795 -0.379 -5.492 1.00 21.23 H new ATOM 0 HA ALA A 81 -11.681 -1.691 -3.754 1.00 53.42 H new ATOM 0 HB1 ALA A 81 -11.638 0.386 -2.529 1.00 63.11 H new ATOM 0 HB2 ALA A 81 -10.003 -0.242 -2.845 1.00 63.11 H new ATOM 0 HB3 ALA A 81 -10.631 1.124 -3.797 1.00 63.11 H new ATOM 1166 N ALA A 82 -12.754 0.340 -6.126 1.00 61.31 N ATOM 1167 CA ALA A 82 -13.948 0.793 -6.828 1.00 13.10 C ATOM 1168 C ALA A 82 -14.580 -0.401 -7.554 1.00 42.03 C ATOM 1169 O ALA A 82 -15.801 -0.441 -7.711 1.00 12.20 O ATOM 1170 CB ALA A 82 -13.594 1.909 -7.815 1.00 60.13 C ATOM 0 H ALA A 82 -11.885 0.574 -6.606 1.00 61.31 H new ATOM 0 HA ALA A 82 -14.665 1.198 -6.114 1.00 13.10 H new ATOM 0 HB1 ALA A 82 -14.496 2.237 -8.332 1.00 60.13 H new ATOM 0 HB2 ALA A 82 -13.160 2.749 -7.273 1.00 60.13 H new ATOM 0 HB3 ALA A 82 -12.874 1.536 -8.543 1.00 60.13 H new ATOM 1176 N SER A 83 -13.760 -1.376 -7.963 1.00 32.23 N ATOM 1177 CA SER A 83 -14.185 -2.588 -8.645 1.00 1.44 C ATOM 1178 C SER A 83 -15.213 -3.332 -7.779 1.00 74.35 C ATOM 1179 O SER A 83 -15.267 -3.177 -6.551 1.00 51.44 O ATOM 1180 CB SER A 83 -12.946 -3.459 -8.916 1.00 42.02 C ATOM 1181 OG SER A 83 -13.221 -4.495 -9.838 1.00 14.11 O ATOM 0 H SER A 83 -12.751 -1.335 -7.820 1.00 32.23 H new ATOM 0 HA SER A 83 -14.661 -2.347 -9.596 1.00 1.44 H new ATOM 0 HB2 SER A 83 -12.140 -2.834 -9.302 1.00 42.02 H new ATOM 0 HB3 SER A 83 -12.594 -3.891 -7.979 1.00 42.02 H new ATOM 0 HG SER A 83 -12.410 -5.025 -9.986 1.00 14.11 H new ATOM 1187 N GLU A 84 -16.080 -4.104 -8.432 1.00 31.13 N ATOM 1188 CA GLU A 84 -17.105 -4.895 -7.769 1.00 44.35 C ATOM 1189 C GLU A 84 -16.440 -6.127 -7.131 1.00 0.02 C ATOM 1190 O GLU A 84 -15.228 -6.319 -7.229 1.00 33.40 O ATOM 1191 CB GLU A 84 -18.199 -5.261 -8.798 1.00 62.33 C ATOM 1192 CG GLU A 84 -19.500 -5.701 -8.107 1.00 22.12 C ATOM 1193 CD GLU A 84 -20.726 -5.794 -9.010 1.00 73.32 C ATOM 1194 OE1 GLU A 84 -21.068 -4.769 -9.645 1.00 31.25 O ATOM 1195 OE2 GLU A 84 -21.421 -6.842 -8.967 1.00 65.13 O ATOM 0 H GLU A 84 -16.087 -4.196 -9.448 1.00 31.13 H new ATOM 0 HA GLU A 84 -17.591 -4.336 -6.969 1.00 44.35 H new ATOM 0 HB2 GLU A 84 -18.399 -4.402 -9.439 1.00 62.33 H new ATOM 0 HB3 GLU A 84 -17.839 -6.063 -9.443 1.00 62.33 H new ATOM 0 HG2 GLU A 84 -19.335 -6.675 -7.647 1.00 22.12 H new ATOM 0 HG3 GLU A 84 -19.717 -5.001 -7.301 1.00 22.12 H new ATOM 1202 N GLU A 85 -17.225 -6.942 -6.427 1.00 13.20 N ATOM 1203 CA GLU A 85 -16.827 -8.182 -5.770 1.00 34.52 C ATOM 1204 C GLU A 85 -15.762 -8.045 -4.673 1.00 22.21 C ATOM 1205 O GLU A 85 -15.349 -9.052 -4.103 1.00 0.53 O ATOM 1206 CB GLU A 85 -16.485 -9.233 -6.852 1.00 5.12 C ATOM 1207 CG GLU A 85 -17.711 -9.546 -7.720 1.00 74.53 C ATOM 1208 CD GLU A 85 -17.517 -10.677 -8.728 1.00 12.34 C ATOM 1209 OE1 GLU A 85 -16.846 -11.684 -8.411 1.00 51.41 O ATOM 1210 OE2 GLU A 85 -18.168 -10.607 -9.799 1.00 60.41 O ATOM 0 H GLU A 85 -18.216 -6.740 -6.293 1.00 13.20 H new ATOM 0 HA GLU A 85 -17.682 -8.528 -5.190 1.00 34.52 H new ATOM 0 HB2 GLU A 85 -15.675 -8.863 -7.480 1.00 5.12 H new ATOM 0 HB3 GLU A 85 -16.128 -10.147 -6.377 1.00 5.12 H new ATOM 0 HG2 GLU A 85 -18.545 -9.802 -7.066 1.00 74.53 H new ATOM 0 HG3 GLU A 85 -17.995 -8.643 -8.260 1.00 74.53 H new ATOM 1217 N GLY A 86 -15.316 -6.837 -4.333 1.00 13.30 N ATOM 1218 CA GLY A 86 -14.323 -6.599 -3.300 1.00 42.03 C ATOM 1219 C GLY A 86 -15.049 -6.197 -2.030 1.00 42.01 C ATOM 1220 O GLY A 86 -14.966 -5.043 -1.604 1.00 40.43 O ATOM 0 H GLY A 86 -15.645 -5.982 -4.781 1.00 13.30 H new ATOM 0 HA2 GLY A 86 -13.728 -7.496 -3.130 1.00 42.03 H new ATOM 0 HA3 GLY A 86 -13.634 -5.813 -3.609 1.00 42.03 H new ATOM 1224 N GLY A 87 -15.760 -7.138 -1.415 1.00 1.30 N ATOM 1225 CA GLY A 87 -16.509 -6.861 -0.202 1.00 42.33 C ATOM 1226 C GLY A 87 -17.784 -6.118 -0.575 1.00 74.23 C ATOM 1227 O GLY A 87 -18.557 -6.633 -1.389 1.00 23.43 O ATOM 0 H GLY A 87 -15.831 -8.102 -1.742 1.00 1.30 H new ATOM 0 HA2 GLY A 87 -16.750 -7.790 0.314 1.00 42.33 H new ATOM 0 HA3 GLY A 87 -15.910 -6.262 0.484 1.00 42.33 H new ATOM 1231 N GLY A 88 -18.012 -4.938 0.003 1.00 33.10 N ATOM 1232 CA GLY A 88 -19.194 -4.129 -0.249 1.00 32.44 C ATOM 1233 C GLY A 88 -18.863 -2.661 -0.478 1.00 74.34 C ATOM 1234 O GLY A 88 -18.653 -2.262 -1.623 1.00 0.04 O ATOM 0 H GLY A 88 -17.367 -4.515 0.670 1.00 33.10 H new ATOM 0 HA2 GLY A 88 -19.717 -4.520 -1.122 1.00 32.44 H new ATOM 0 HA3 GLY A 88 -19.876 -4.216 0.597 1.00 32.44 H new ATOM 1238 N SER A 89 -18.819 -1.848 0.580 1.00 60.12 N ATOM 1239 CA SER A 89 -18.544 -0.423 0.454 1.00 52.42 C ATOM 1240 C SER A 89 -17.057 -0.076 0.397 1.00 51.01 C ATOM 1241 O SER A 89 -16.191 -0.850 0.841 1.00 53.05 O ATOM 1242 CB SER A 89 -19.211 0.310 1.625 1.00 54.02 C ATOM 1243 OG SER A 89 -18.665 -0.070 2.871 1.00 20.34 O ATOM 0 H SER A 89 -18.972 -2.160 1.539 1.00 60.12 H new ATOM 0 HA SER A 89 -18.956 -0.101 -0.503 1.00 52.42 H new ATOM 0 HB2 SER A 89 -19.095 1.386 1.492 1.00 54.02 H new ATOM 0 HB3 SER A 89 -20.281 0.102 1.620 1.00 54.02 H new ATOM 0 HG SER A 89 -18.402 0.731 3.371 1.00 20.34 H new ATOM 1249 N LEU A 90 -16.771 1.131 -0.114 1.00 60.52 N ATOM 1250 CA LEU A 90 -15.413 1.657 -0.213 1.00 20.23 C ATOM 1251 C LEU A 90 -14.910 1.972 1.190 1.00 12.11 C ATOM 1252 O LEU A 90 -13.749 1.709 1.479 1.00 32.33 O ATOM 1253 CB LEU A 90 -15.327 2.959 -1.048 1.00 44.43 C ATOM 1254 CG LEU A 90 -14.819 2.819 -2.494 1.00 43.31 C ATOM 1255 CD1 LEU A 90 -13.467 2.120 -2.574 1.00 21.33 C ATOM 1256 CD2 LEU A 90 -15.858 2.112 -3.362 1.00 11.24 C ATOM 0 H LEU A 90 -17.483 1.768 -0.470 1.00 60.52 H new ATOM 0 HA LEU A 90 -14.810 0.897 -0.711 1.00 20.23 H new ATOM 0 HB2 LEU A 90 -16.319 3.411 -1.078 1.00 44.43 H new ATOM 0 HB3 LEU A 90 -14.674 3.657 -0.524 1.00 44.43 H new ATOM 0 HG LEU A 90 -14.669 3.827 -2.881 1.00 43.31 H new ATOM 0 HD11 LEU A 90 -13.156 2.048 -3.616 1.00 21.33 H new ATOM 0 HD12 LEU A 90 -12.728 2.692 -2.013 1.00 21.33 H new ATOM 0 HD13 LEU A 90 -13.549 1.119 -2.150 1.00 21.33 H new ATOM 0 HD21 LEU A 90 -15.481 2.022 -4.381 1.00 11.24 H new ATOM 0 HD22 LEU A 90 -16.054 1.118 -2.959 1.00 11.24 H new ATOM 0 HD23 LEU A 90 -16.782 2.690 -3.367 1.00 11.24 H new ATOM 1268 N SER A 91 -15.784 2.478 2.063 1.00 14.23 N ATOM 1269 CA SER A 91 -15.491 2.862 3.438 1.00 73.45 C ATOM 1270 C SER A 91 -14.942 1.676 4.221 1.00 64.43 C ATOM 1271 O SER A 91 -13.845 1.748 4.773 1.00 60.31 O ATOM 1272 CB SER A 91 -16.796 3.385 4.061 1.00 14.20 C ATOM 1273 OG SER A 91 -17.878 2.508 3.764 1.00 52.11 O ATOM 0 H SER A 91 -16.760 2.637 1.815 1.00 14.23 H new ATOM 0 HA SER A 91 -14.727 3.639 3.465 1.00 73.45 H new ATOM 0 HB2 SER A 91 -16.679 3.475 5.141 1.00 14.20 H new ATOM 0 HB3 SER A 91 -17.014 4.383 3.679 1.00 14.20 H new ATOM 0 HG SER A 91 -18.700 2.854 4.169 1.00 52.11 H new ATOM 1279 N THR A 92 -15.657 0.553 4.222 1.00 11.42 N ATOM 1280 CA THR A 92 -15.215 -0.633 4.926 1.00 63.51 C ATOM 1281 C THR A 92 -13.917 -1.143 4.287 1.00 52.35 C ATOM 1282 O THR A 92 -13.001 -1.534 5.004 1.00 53.22 O ATOM 1283 CB THR A 92 -16.358 -1.651 4.932 1.00 61.42 C ATOM 1284 OG1 THR A 92 -17.499 -1.045 5.510 1.00 74.44 O ATOM 1285 CG2 THR A 92 -16.020 -2.898 5.744 1.00 41.24 C ATOM 0 H THR A 92 -16.549 0.447 3.738 1.00 11.42 H new ATOM 0 HA THR A 92 -14.976 -0.426 5.969 1.00 63.51 H new ATOM 0 HB THR A 92 -16.537 -1.955 3.901 1.00 61.42 H new ATOM 0 HG1 THR A 92 -18.056 -0.657 4.804 1.00 74.44 H new ATOM 0 HG21 THR A 92 -16.863 -3.589 5.717 1.00 41.24 H new ATOM 0 HG22 THR A 92 -15.140 -3.382 5.319 1.00 41.24 H new ATOM 0 HG23 THR A 92 -15.815 -2.615 6.777 1.00 41.24 H new ATOM 1293 N LYS A 93 -13.785 -1.098 2.953 1.00 32.44 N ATOM 1294 CA LYS A 93 -12.575 -1.555 2.269 1.00 14.25 C ATOM 1295 C LYS A 93 -11.364 -0.737 2.744 1.00 12.05 C ATOM 1296 O LYS A 93 -10.384 -1.339 3.188 1.00 22.35 O ATOM 1297 CB LYS A 93 -12.833 -1.570 0.752 1.00 13.20 C ATOM 1298 CG LYS A 93 -11.750 -2.274 -0.088 1.00 44.34 C ATOM 1299 CD LYS A 93 -12.315 -3.107 -1.260 1.00 52.32 C ATOM 1300 CE LYS A 93 -13.410 -2.388 -2.068 1.00 72.23 C ATOM 1301 NZ LYS A 93 -13.814 -3.110 -3.299 1.00 32.43 N ATOM 0 H LYS A 93 -14.509 -0.747 2.326 1.00 32.44 H new ATOM 0 HA LYS A 93 -12.321 -2.583 2.527 1.00 14.25 H new ATOM 0 HB2 LYS A 93 -13.789 -2.059 0.567 1.00 13.20 H new ATOM 0 HB3 LYS A 93 -12.928 -0.541 0.405 1.00 13.20 H new ATOM 0 HG2 LYS A 93 -11.066 -1.524 -0.484 1.00 44.34 H new ATOM 0 HG3 LYS A 93 -11.166 -2.927 0.561 1.00 44.34 H new ATOM 0 HD2 LYS A 93 -11.498 -3.372 -1.931 1.00 52.32 H new ATOM 0 HD3 LYS A 93 -12.721 -4.039 -0.867 1.00 52.32 H new ATOM 0 HE2 LYS A 93 -14.286 -2.251 -1.434 1.00 72.23 H new ATOM 0 HE3 LYS A 93 -13.055 -1.394 -2.340 1.00 72.23 H new ATOM 0 HZ1 LYS A 93 -14.201 -2.433 -3.987 1.00 32.43 H new ATOM 0 HZ2 LYS A 93 -12.986 -3.586 -3.710 1.00 32.43 H new ATOM 0 HZ3 LYS A 93 -14.539 -3.818 -3.064 1.00 32.43 H new ATOM 1315 N THR A 94 -11.412 0.600 2.700 1.00 35.23 N ATOM 1316 CA THR A 94 -10.324 1.474 3.155 1.00 44.22 C ATOM 1317 C THR A 94 -10.068 1.235 4.654 1.00 32.40 C ATOM 1318 O THR A 94 -8.924 1.278 5.116 1.00 21.20 O ATOM 1319 CB THR A 94 -10.626 2.934 2.772 1.00 14.55 C ATOM 1320 OG1 THR A 94 -11.907 3.377 3.155 1.00 0.34 O ATOM 1321 CG2 THR A 94 -10.565 3.070 1.248 1.00 3.35 C ATOM 0 H THR A 94 -12.219 1.112 2.343 1.00 35.23 H new ATOM 0 HA THR A 94 -9.388 1.234 2.651 1.00 44.22 H new ATOM 0 HB THR A 94 -9.883 3.536 3.296 1.00 14.55 H new ATOM 0 HG1 THR A 94 -12.323 2.709 3.740 1.00 0.34 H new ATOM 0 HG21 THR A 94 -10.778 4.101 0.966 1.00 3.35 H new ATOM 0 HG22 THR A 94 -9.570 2.796 0.898 1.00 3.35 H new ATOM 0 HG23 THR A 94 -11.304 2.410 0.794 1.00 3.35 H new ATOM 1329 N SER A 95 -11.107 0.909 5.428 1.00 3.01 N ATOM 1330 CA SER A 95 -10.995 0.631 6.850 1.00 0.04 C ATOM 1331 C SER A 95 -10.214 -0.677 7.061 1.00 2.42 C ATOM 1332 O SER A 95 -9.358 -0.731 7.945 1.00 44.31 O ATOM 1333 CB SER A 95 -12.401 0.601 7.466 1.00 43.31 C ATOM 1334 OG SER A 95 -12.382 0.793 8.869 1.00 73.22 O ATOM 0 H SER A 95 -12.060 0.832 5.073 1.00 3.01 H new ATOM 0 HA SER A 95 -10.434 1.415 7.359 1.00 0.04 H new ATOM 0 HB2 SER A 95 -13.013 1.376 7.005 1.00 43.31 H new ATOM 0 HB3 SER A 95 -12.873 -0.355 7.240 1.00 43.31 H new ATOM 0 HG SER A 95 -13.299 0.768 9.215 1.00 73.22 H new ATOM 1340 N SER A 96 -10.459 -1.718 6.256 1.00 1.41 N ATOM 1341 CA SER A 96 -9.775 -3.000 6.384 1.00 31.32 C ATOM 1342 C SER A 96 -8.304 -2.873 6.009 1.00 42.24 C ATOM 1343 O SER A 96 -7.453 -3.488 6.647 1.00 31.34 O ATOM 1344 CB SER A 96 -10.460 -4.054 5.515 1.00 75.22 C ATOM 1345 OG SER A 96 -11.822 -4.216 5.857 1.00 63.13 O ATOM 0 H SER A 96 -11.140 -1.690 5.497 1.00 1.41 H new ATOM 0 HA SER A 96 -9.831 -3.315 7.426 1.00 31.32 H new ATOM 0 HB2 SER A 96 -10.381 -3.767 4.466 1.00 75.22 H new ATOM 0 HB3 SER A 96 -9.942 -5.007 5.625 1.00 75.22 H new ATOM 0 HG SER A 96 -12.319 -3.407 5.613 1.00 63.13 H new ATOM 1351 N ILE A 97 -7.986 -2.058 5.001 1.00 52.24 N ATOM 1352 CA ILE A 97 -6.615 -1.832 4.561 1.00 63.24 C ATOM 1353 C ILE A 97 -5.806 -1.292 5.734 1.00 65.54 C ATOM 1354 O ILE A 97 -4.703 -1.779 5.965 1.00 33.13 O ATOM 1355 CB ILE A 97 -6.612 -0.856 3.374 1.00 24.42 C ATOM 1356 CG1 ILE A 97 -7.136 -1.576 2.115 1.00 40.32 C ATOM 1357 CG2 ILE A 97 -5.219 -0.278 3.076 1.00 52.12 C ATOM 1358 CD1 ILE A 97 -7.832 -0.620 1.137 1.00 15.22 C ATOM 0 H ILE A 97 -8.679 -1.535 4.466 1.00 52.24 H new ATOM 0 HA ILE A 97 -6.159 -2.764 4.227 1.00 63.24 H new ATOM 0 HB ILE A 97 -7.260 -0.023 3.647 1.00 24.42 H new ATOM 0 HG12 ILE A 97 -6.305 -2.066 1.609 1.00 40.32 H new ATOM 0 HG13 ILE A 97 -7.834 -2.358 2.412 1.00 40.32 H new ATOM 0 HG21 ILE A 97 -5.282 0.404 2.228 1.00 52.12 H new ATOM 0 HG22 ILE A 97 -4.855 0.262 3.950 1.00 52.12 H new ATOM 0 HG23 ILE A 97 -4.531 -1.090 2.839 1.00 52.12 H new ATOM 0 HD11 ILE A 97 -8.181 -1.179 0.269 1.00 15.22 H new ATOM 0 HD12 ILE A 97 -8.682 -0.149 1.631 1.00 15.22 H new ATOM 0 HD13 ILE A 97 -7.128 0.147 0.815 1.00 15.22 H new ATOM 1370 N ALA A 98 -6.336 -0.322 6.489 1.00 73.41 N ATOM 1371 CA ALA A 98 -5.610 0.230 7.626 1.00 41.03 C ATOM 1372 C ALA A 98 -5.268 -0.850 8.651 1.00 43.43 C ATOM 1373 O ALA A 98 -4.192 -0.812 9.253 1.00 0.03 O ATOM 1374 CB ALA A 98 -6.407 1.335 8.316 1.00 44.12 C ATOM 0 H ALA A 98 -7.256 0.090 6.331 1.00 73.41 H new ATOM 0 HA ALA A 98 -4.686 0.650 7.228 1.00 41.03 H new ATOM 0 HB1 ALA A 98 -5.836 1.724 9.159 1.00 44.12 H new ATOM 0 HB2 ALA A 98 -6.601 2.140 7.607 1.00 44.12 H new ATOM 0 HB3 ALA A 98 -7.354 0.931 8.675 1.00 44.12 H new ATOM 1380 N SER A 99 -6.184 -1.789 8.861 1.00 2.12 N ATOM 1381 CA SER A 99 -5.987 -2.876 9.807 1.00 64.44 C ATOM 1382 C SER A 99 -4.967 -3.886 9.264 1.00 64.35 C ATOM 1383 O SER A 99 -4.184 -4.437 10.037 1.00 21.14 O ATOM 1384 CB SER A 99 -7.333 -3.527 10.100 1.00 15.22 C ATOM 1385 OG SER A 99 -8.259 -2.595 10.627 1.00 72.53 O ATOM 0 H SER A 99 -7.083 -1.816 8.379 1.00 2.12 H new ATOM 0 HA SER A 99 -5.580 -2.487 10.740 1.00 64.44 H new ATOM 0 HB2 SER A 99 -7.734 -3.962 9.185 1.00 15.22 H new ATOM 0 HB3 SER A 99 -7.196 -4.345 10.808 1.00 15.22 H new ATOM 0 HG SER A 99 -9.112 -3.045 10.802 1.00 72.53 H new ATOM 1391 N ALA A 100 -4.946 -4.142 7.949 1.00 5.32 N ATOM 1392 CA ALA A 100 -3.978 -5.071 7.375 1.00 0.51 C ATOM 1393 C ALA A 100 -2.586 -4.416 7.370 1.00 12.30 C ATOM 1394 O ALA A 100 -1.579 -5.074 7.615 1.00 34.13 O ATOM 1395 CB ALA A 100 -4.413 -5.462 5.961 1.00 15.51 C ATOM 0 H ALA A 100 -5.583 -3.721 7.273 1.00 5.32 H new ATOM 0 HA ALA A 100 -3.930 -5.979 7.976 1.00 0.51 H new ATOM 0 HB1 ALA A 100 -3.688 -6.156 5.536 1.00 15.51 H new ATOM 0 HB2 ALA A 100 -5.392 -5.940 6.001 1.00 15.51 H new ATOM 0 HB3 ALA A 100 -4.470 -4.569 5.338 1.00 15.51 H new ATOM 1401 N LEU A 101 -2.523 -3.103 7.117 1.00 52.01 N ATOM 1402 CA LEU A 101 -1.294 -2.319 7.074 1.00 14.43 C ATOM 1403 C LEU A 101 -0.547 -2.413 8.389 1.00 11.13 C ATOM 1404 O LEU A 101 0.661 -2.624 8.358 1.00 13.43 O ATOM 1405 CB LEU A 101 -1.582 -0.842 6.756 1.00 2.54 C ATOM 1406 CG LEU A 101 -1.661 -0.569 5.248 1.00 22.32 C ATOM 1407 CD1 LEU A 101 -2.354 0.769 4.992 1.00 41.03 C ATOM 1408 CD2 LEU A 101 -0.272 -0.513 4.612 1.00 20.22 C ATOM 0 H LEU A 101 -3.356 -2.544 6.931 1.00 52.01 H new ATOM 0 HA LEU A 101 -0.675 -2.735 6.279 1.00 14.43 H new ATOM 0 HB2 LEU A 101 -2.522 -0.550 7.224 1.00 2.54 H new ATOM 0 HB3 LEU A 101 -0.801 -0.221 7.194 1.00 2.54 H new ATOM 0 HG LEU A 101 -2.226 -1.388 4.803 1.00 22.32 H new ATOM 0 HD11 LEU A 101 -2.405 0.953 3.919 1.00 41.03 H new ATOM 0 HD12 LEU A 101 -3.363 0.741 5.403 1.00 41.03 H new ATOM 0 HD13 LEU A 101 -1.789 1.569 5.471 1.00 41.03 H new ATOM 0 HD21 LEU A 101 -0.368 -0.318 3.544 1.00 20.22 H new ATOM 0 HD22 LEU A 101 0.309 0.285 5.076 1.00 20.22 H new ATOM 0 HD23 LEU A 101 0.236 -1.466 4.762 1.00 20.22 H new ATOM 1420 N SER A 102 -1.222 -2.224 9.525 1.00 34.34 N ATOM 1421 CA SER A 102 -0.578 -2.309 10.835 1.00 53.34 C ATOM 1422 C SER A 102 0.062 -3.681 11.036 1.00 64.15 C ATOM 1423 O SER A 102 1.218 -3.750 11.453 1.00 73.24 O ATOM 1424 CB SER A 102 -1.569 -1.984 11.953 1.00 1.12 C ATOM 1425 OG SER A 102 -2.851 -2.495 11.675 1.00 3.44 O ATOM 0 H SER A 102 -2.219 -2.010 9.562 1.00 34.34 H new ATOM 0 HA SER A 102 0.217 -1.564 10.874 1.00 53.34 H new ATOM 0 HB2 SER A 102 -1.207 -2.400 12.893 1.00 1.12 H new ATOM 0 HB3 SER A 102 -1.628 -0.904 12.085 1.00 1.12 H new ATOM 0 HG SER A 102 -2.770 -3.296 11.117 1.00 3.44 H new ATOM 1431 N ASN A 103 -0.657 -4.759 10.706 1.00 4.43 N ATOM 1432 CA ASN A 103 -0.136 -6.116 10.848 1.00 74.33 C ATOM 1433 C ASN A 103 1.122 -6.277 9.983 1.00 11.32 C ATOM 1434 O ASN A 103 2.129 -6.821 10.441 1.00 73.35 O ATOM 1435 CB ASN A 103 -1.239 -7.132 10.518 1.00 63.33 C ATOM 1436 CG ASN A 103 -0.923 -8.547 10.991 1.00 34.52 C ATOM 1437 OD1 ASN A 103 -1.197 -9.516 10.287 1.00 13.00 O ATOM 1438 ND2 ASN A 103 -0.465 -8.731 12.218 1.00 65.42 N ATOM 0 H ASN A 103 -1.607 -4.713 10.337 1.00 4.43 H new ATOM 0 HA ASN A 103 0.165 -6.307 11.878 1.00 74.33 H new ATOM 0 HB2 ASN A 103 -2.173 -6.804 10.975 1.00 63.33 H new ATOM 0 HB3 ASN A 103 -1.400 -7.145 9.440 1.00 63.33 H new ATOM 0 HD21 ASN A 103 -0.340 -9.677 12.579 1.00 65.42 H new ATOM 0 HD22 ASN A 103 -0.237 -7.927 12.803 1.00 65.42 H new ATOM 1445 N ALA A 104 1.104 -5.713 8.769 1.00 11.12 N ATOM 1446 CA ALA A 104 2.234 -5.750 7.852 1.00 11.51 C ATOM 1447 C ALA A 104 3.392 -4.921 8.429 1.00 20.14 C ATOM 1448 O ALA A 104 4.543 -5.335 8.342 1.00 20.21 O ATOM 1449 CB ALA A 104 1.808 -5.237 6.472 1.00 74.23 C ATOM 0 H ALA A 104 0.294 -5.215 8.399 1.00 11.12 H new ATOM 0 HA ALA A 104 2.577 -6.778 7.732 1.00 11.51 H new ATOM 0 HB1 ALA A 104 2.660 -5.269 5.793 1.00 74.23 H new ATOM 0 HB2 ALA A 104 1.009 -5.866 6.081 1.00 74.23 H new ATOM 0 HB3 ALA A 104 1.452 -4.211 6.559 1.00 74.23 H new ATOM 1455 N PHE A 105 3.114 -3.754 9.031 1.00 33.32 N ATOM 1456 CA PHE A 105 4.125 -2.884 9.635 1.00 5.00 C ATOM 1457 C PHE A 105 4.881 -3.646 10.727 1.00 42.54 C ATOM 1458 O PHE A 105 6.105 -3.511 10.850 1.00 31.30 O ATOM 1459 CB PHE A 105 3.504 -1.584 10.182 1.00 61.33 C ATOM 1460 CG PHE A 105 3.427 -0.463 9.163 1.00 71.13 C ATOM 1461 CD1 PHE A 105 4.617 0.074 8.642 1.00 21.21 C ATOM 1462 CD2 PHE A 105 2.191 0.022 8.694 1.00 75.11 C ATOM 1463 CE1 PHE A 105 4.576 1.055 7.637 1.00 62.42 C ATOM 1464 CE2 PHE A 105 2.151 0.982 7.667 1.00 42.14 C ATOM 1465 CZ PHE A 105 3.342 1.500 7.138 1.00 11.13 C ATOM 0 H PHE A 105 2.166 -3.387 9.111 1.00 33.32 H new ATOM 0 HA PHE A 105 4.834 -2.591 8.860 1.00 5.00 H new ATOM 0 HB2 PHE A 105 2.500 -1.799 10.548 1.00 61.33 H new ATOM 0 HB3 PHE A 105 4.089 -1.245 11.037 1.00 61.33 H new ATOM 0 HD1 PHE A 105 5.570 -0.270 9.017 1.00 21.21 H new ATOM 0 HD2 PHE A 105 1.271 -0.344 9.124 1.00 75.11 H new ATOM 0 HE1 PHE A 105 5.495 1.467 7.248 1.00 62.42 H new ATOM 0 HE2 PHE A 105 1.200 1.321 7.284 1.00 42.14 H new ATOM 0 HZ PHE A 105 3.310 2.238 6.350 1.00 11.13 H new ATOM 1475 N LEU A 106 4.170 -4.472 11.501 1.00 22.44 N ATOM 1476 CA LEU A 106 4.770 -5.276 12.551 1.00 14.03 C ATOM 1477 C LEU A 106 5.735 -6.302 11.953 1.00 74.21 C ATOM 1478 O LEU A 106 6.679 -6.690 12.635 1.00 22.33 O ATOM 1479 CB LEU A 106 3.685 -6.002 13.378 1.00 51.03 C ATOM 1480 CG LEU A 106 3.312 -5.344 14.715 1.00 14.30 C ATOM 1481 CD1 LEU A 106 4.534 -5.208 15.625 1.00 3.40 C ATOM 1482 CD2 LEU A 106 2.640 -3.984 14.528 1.00 13.43 C ATOM 0 H LEU A 106 3.162 -4.597 11.411 1.00 22.44 H new ATOM 0 HA LEU A 106 5.323 -4.607 13.211 1.00 14.03 H new ATOM 0 HB2 LEU A 106 2.784 -6.082 12.770 1.00 51.03 H new ATOM 0 HB3 LEU A 106 4.026 -7.018 13.577 1.00 51.03 H new ATOM 0 HG LEU A 106 2.589 -6.005 15.193 1.00 14.30 H new ATOM 0 HD11 LEU A 106 4.238 -4.739 16.563 1.00 3.40 H new ATOM 0 HD12 LEU A 106 4.948 -6.196 15.828 1.00 3.40 H new ATOM 0 HD13 LEU A 106 5.287 -4.592 15.133 1.00 3.40 H new ATOM 0 HD21 LEU A 106 2.397 -3.561 15.503 1.00 13.43 H new ATOM 0 HD22 LEU A 106 3.318 -3.313 14.000 1.00 13.43 H new ATOM 0 HD23 LEU A 106 1.726 -4.107 13.947 1.00 13.43 H new ATOM 1494 N GLN A 107 5.505 -6.765 10.721 1.00 13.30 N ATOM 1495 CA GLN A 107 6.345 -7.750 10.050 1.00 31.10 C ATOM 1496 C GLN A 107 7.544 -7.134 9.338 1.00 44.23 C ATOM 1497 O GLN A 107 8.621 -7.731 9.332 1.00 52.13 O ATOM 1498 CB GLN A 107 5.504 -8.538 9.032 1.00 40.01 C ATOM 1499 CG GLN A 107 4.715 -9.667 9.705 1.00 62.34 C ATOM 1500 CD GLN A 107 5.460 -11.005 9.741 1.00 40.03 C ATOM 1501 OE1 GLN A 107 4.833 -12.051 9.595 1.00 53.42 O ATOM 1502 NE2 GLN A 107 6.763 -11.065 9.956 1.00 2.12 N ATOM 0 H GLN A 107 4.714 -6.457 10.155 1.00 13.30 H new ATOM 0 HA GLN A 107 6.735 -8.408 10.826 1.00 31.10 H new ATOM 0 HB2 GLN A 107 4.814 -7.861 8.528 1.00 40.01 H new ATOM 0 HB3 GLN A 107 6.157 -8.956 8.266 1.00 40.01 H new ATOM 0 HG2 GLN A 107 4.472 -9.370 10.725 1.00 62.34 H new ATOM 0 HG3 GLN A 107 3.770 -9.802 9.178 1.00 62.34 H new ATOM 0 HE21 GLN A 107 7.300 -10.206 10.079 1.00 2.12 H new ATOM 0 HE22 GLN A 107 7.232 -11.970 9.998 1.00 2.12 H new ATOM 1511 N THR A 108 7.393 -5.946 8.763 1.00 31.13 N ATOM 1512 CA THR A 108 8.451 -5.280 8.029 1.00 41.41 C ATOM 1513 C THR A 108 9.515 -4.668 8.925 1.00 22.10 C ATOM 1514 O THR A 108 10.689 -5.036 8.847 1.00 43.05 O ATOM 1515 CB THR A 108 7.830 -4.173 7.165 1.00 14.44 C ATOM 1516 OG1 THR A 108 7.022 -3.304 7.937 1.00 5.20 O ATOM 1517 CG2 THR A 108 6.969 -4.760 6.064 1.00 21.13 C ATOM 0 H THR A 108 6.522 -5.417 8.796 1.00 31.13 H new ATOM 0 HA THR A 108 8.946 -6.037 7.421 1.00 41.41 H new ATOM 0 HB THR A 108 8.660 -3.614 6.733 1.00 14.44 H new ATOM 0 HG1 THR A 108 6.643 -2.610 7.358 1.00 5.20 H new ATOM 0 HG21 THR A 108 6.542 -3.954 5.467 1.00 21.13 H new ATOM 0 HG22 THR A 108 7.580 -5.399 5.426 1.00 21.13 H new ATOM 0 HG23 THR A 108 6.166 -5.350 6.506 1.00 21.13 H new ATOM 1525 N THR A 109 9.089 -3.754 9.792 1.00 1.00 N ATOM 1526 CA THR A 109 9.942 -2.992 10.687 1.00 42.41 C ATOM 1527 C THR A 109 9.616 -3.172 12.165 1.00 22.11 C ATOM 1528 O THR A 109 10.449 -2.817 12.995 1.00 21.53 O ATOM 1529 CB THR A 109 9.863 -1.518 10.235 1.00 41.35 C ATOM 1530 OG1 THR A 109 8.514 -1.088 10.103 1.00 42.04 O ATOM 1531 CG2 THR A 109 10.513 -1.305 8.860 1.00 20.41 C ATOM 0 H THR A 109 8.102 -3.518 9.891 1.00 1.00 H new ATOM 0 HA THR A 109 10.963 -3.366 10.614 1.00 42.41 H new ATOM 0 HB THR A 109 10.387 -0.950 11.004 1.00 41.35 H new ATOM 0 HG1 THR A 109 8.496 -0.151 9.817 1.00 42.04 H new ATOM 0 HG21 THR A 109 10.436 -0.255 8.580 1.00 20.41 H new ATOM 0 HG22 THR A 109 11.564 -1.592 8.906 1.00 20.41 H new ATOM 0 HG23 THR A 109 10.002 -1.917 8.117 1.00 20.41 H new ATOM 1539 N GLY A 110 8.461 -3.741 12.520 1.00 0.32 N ATOM 1540 CA GLY A 110 8.104 -3.936 13.918 1.00 73.23 C ATOM 1541 C GLY A 110 7.594 -2.660 14.587 1.00 21.51 C ATOM 1542 O GLY A 110 7.650 -2.579 15.816 1.00 52.44 O ATOM 0 H GLY A 110 7.761 -4.073 11.856 1.00 0.32 H new ATOM 0 HA2 GLY A 110 7.337 -4.708 13.987 1.00 73.23 H new ATOM 0 HA3 GLY A 110 8.975 -4.302 14.462 1.00 73.23 H new ATOM 1546 N VAL A 111 7.121 -1.661 13.836 1.00 42.52 N ATOM 1547 CA VAL A 111 6.625 -0.406 14.398 1.00 5.43 C ATOM 1548 C VAL A 111 5.414 0.074 13.599 1.00 42.21 C ATOM 1549 O VAL A 111 5.497 0.256 12.384 1.00 41.44 O ATOM 1550 CB VAL A 111 7.774 0.624 14.501 1.00 44.21 C ATOM 1551 CG1 VAL A 111 8.652 0.729 13.246 1.00 62.22 C ATOM 1552 CG2 VAL A 111 7.253 2.018 14.864 1.00 5.05 C ATOM 0 H VAL A 111 7.072 -1.702 12.818 1.00 42.52 H new ATOM 0 HA VAL A 111 6.273 -0.554 15.419 1.00 5.43 H new ATOM 0 HB VAL A 111 8.406 0.238 15.301 1.00 44.21 H new ATOM 0 HG11 VAL A 111 9.431 1.474 13.408 1.00 62.22 H new ATOM 0 HG12 VAL A 111 9.112 -0.238 13.042 1.00 62.22 H new ATOM 0 HG13 VAL A 111 8.038 1.025 12.396 1.00 62.22 H new ATOM 0 HG21 VAL A 111 8.089 2.714 14.927 1.00 5.05 H new ATOM 0 HG22 VAL A 111 6.556 2.357 14.098 1.00 5.05 H new ATOM 0 HG23 VAL A 111 6.742 1.976 15.826 1.00 5.05 H new ATOM 1562 N VAL A 112 4.283 0.245 14.281 1.00 12.10 N ATOM 1563 CA VAL A 112 3.008 0.690 13.728 1.00 21.22 C ATOM 1564 C VAL A 112 2.753 2.125 14.207 1.00 21.35 C ATOM 1565 O VAL A 112 2.930 2.421 15.390 1.00 41.24 O ATOM 1566 CB VAL A 112 1.898 -0.320 14.128 1.00 4.34 C ATOM 1567 CG1 VAL A 112 1.874 -0.709 15.614 1.00 31.35 C ATOM 1568 CG2 VAL A 112 0.494 0.170 13.761 1.00 0.31 C ATOM 0 H VAL A 112 4.230 0.068 15.284 1.00 12.10 H new ATOM 0 HA VAL A 112 3.016 0.713 12.638 1.00 21.22 H new ATOM 0 HB VAL A 112 2.166 -1.204 13.549 1.00 4.34 H new ATOM 0 HG11 VAL A 112 1.065 -1.417 15.792 1.00 31.35 H new ATOM 0 HG12 VAL A 112 2.824 -1.169 15.885 1.00 31.35 H new ATOM 0 HG13 VAL A 112 1.716 0.182 16.221 1.00 31.35 H new ATOM 0 HG21 VAL A 112 -0.242 -0.575 14.063 1.00 0.31 H new ATOM 0 HG22 VAL A 112 0.291 1.110 14.274 1.00 0.31 H new ATOM 0 HG23 VAL A 112 0.433 0.324 12.684 1.00 0.31 H new ATOM 1578 N ASN A 113 2.319 3.014 13.306 1.00 63.52 N ATOM 1579 CA ASN A 113 2.014 4.418 13.584 1.00 51.51 C ATOM 1580 C ASN A 113 0.606 4.677 13.058 1.00 32.32 C ATOM 1581 O ASN A 113 0.375 4.618 11.853 1.00 31.11 O ATOM 1582 CB ASN A 113 3.027 5.360 12.916 1.00 31.10 C ATOM 1583 CG ASN A 113 4.293 5.579 13.739 1.00 32.10 C ATOM 1584 OD1 ASN A 113 4.964 4.636 14.160 1.00 74.21 O ATOM 1585 ND2 ASN A 113 4.657 6.820 13.995 1.00 2.12 N ATOM 0 H ASN A 113 2.166 2.764 12.329 1.00 63.52 H new ATOM 0 HA ASN A 113 2.075 4.613 14.655 1.00 51.51 H new ATOM 0 HB2 ASN A 113 3.302 4.953 11.943 1.00 31.10 H new ATOM 0 HB3 ASN A 113 2.550 6.323 12.735 1.00 31.10 H new ATOM 0 HD21 ASN A 113 5.497 7.002 14.544 1.00 2.12 H new ATOM 0 HD22 ASN A 113 4.098 7.598 13.644 1.00 2.12 H new ATOM 1592 N GLN A 114 -0.338 4.951 13.955 1.00 32.22 N ATOM 1593 CA GLN A 114 -1.745 5.202 13.640 1.00 32.12 C ATOM 1594 C GLN A 114 -2.010 6.265 12.551 1.00 55.13 C ATOM 1595 O GLN A 114 -2.631 5.915 11.545 1.00 13.43 O ATOM 1596 CB GLN A 114 -2.500 5.522 14.942 1.00 44.33 C ATOM 1597 CG GLN A 114 -2.688 4.287 15.831 1.00 25.42 C ATOM 1598 CD GLN A 114 -2.888 4.689 17.287 1.00 65.32 C ATOM 1599 OE1 GLN A 114 -1.926 4.847 18.037 1.00 4.14 O ATOM 1600 NE2 GLN A 114 -4.114 4.899 17.719 1.00 75.31 N ATOM 0 H GLN A 114 -0.140 5.007 14.954 1.00 32.22 H new ATOM 0 HA GLN A 114 -2.124 4.285 13.189 1.00 32.12 H new ATOM 0 HB2 GLN A 114 -1.954 6.285 15.497 1.00 44.33 H new ATOM 0 HB3 GLN A 114 -3.476 5.942 14.698 1.00 44.33 H new ATOM 0 HG2 GLN A 114 -3.549 3.714 15.487 1.00 25.42 H new ATOM 0 HG3 GLN A 114 -1.817 3.637 15.746 1.00 25.42 H new ATOM 0 HE21 GLN A 114 -4.906 4.766 17.090 1.00 75.31 H new ATOM 0 HE22 GLN A 114 -4.272 5.195 18.682 1.00 75.31 H new ATOM 1609 N PRO A 115 -1.579 7.537 12.681 1.00 64.54 N ATOM 1610 CA PRO A 115 -1.859 8.553 11.670 1.00 31.12 C ATOM 1611 C PRO A 115 -1.163 8.290 10.339 1.00 0.41 C ATOM 1612 O PRO A 115 -1.716 8.650 9.300 1.00 52.11 O ATOM 1613 CB PRO A 115 -1.464 9.882 12.298 1.00 42.23 C ATOM 1614 CG PRO A 115 -0.371 9.497 13.287 1.00 35.30 C ATOM 1615 CD PRO A 115 -0.824 8.123 13.776 1.00 52.13 C ATOM 0 HA PRO A 115 -2.915 8.547 11.400 1.00 31.12 H new ATOM 0 HB2 PRO A 115 -1.099 10.586 11.551 1.00 42.23 H new ATOM 0 HB3 PRO A 115 -2.308 10.357 12.798 1.00 42.23 H new ATOM 0 HG2 PRO A 115 0.608 9.454 12.811 1.00 35.30 H new ATOM 0 HG3 PRO A 115 -0.296 10.213 14.106 1.00 35.30 H new ATOM 0 HD2 PRO A 115 0.032 7.500 14.037 1.00 52.13 H new ATOM 0 HD3 PRO A 115 -1.440 8.211 14.671 1.00 52.13 H new ATOM 1623 N PHE A 116 0.008 7.645 10.354 1.00 3.21 N ATOM 1624 CA PHE A 116 0.734 7.323 9.132 1.00 54.13 C ATOM 1625 C PHE A 116 -0.111 6.354 8.304 1.00 13.20 C ATOM 1626 O PHE A 116 -0.084 6.364 7.079 1.00 0.12 O ATOM 1627 CB PHE A 116 2.091 6.714 9.488 1.00 13.30 C ATOM 1628 CG PHE A 116 2.968 6.343 8.306 1.00 0.11 C ATOM 1629 CD1 PHE A 116 3.514 5.048 8.224 1.00 4.33 C ATOM 1630 CD2 PHE A 116 3.282 7.294 7.314 1.00 54.31 C ATOM 1631 CE1 PHE A 116 4.448 4.747 7.217 1.00 73.24 C ATOM 1632 CE2 PHE A 116 4.174 6.973 6.277 1.00 61.34 C ATOM 1633 CZ PHE A 116 4.780 5.706 6.246 1.00 73.21 C ATOM 0 H PHE A 116 0.472 7.336 11.208 1.00 3.21 H new ATOM 0 HA PHE A 116 0.915 8.223 8.544 1.00 54.13 H new ATOM 0 HB2 PHE A 116 2.635 7.421 10.114 1.00 13.30 H new ATOM 0 HB3 PHE A 116 1.923 5.820 10.089 1.00 13.30 H new ATOM 0 HD1 PHE A 116 3.217 4.289 8.932 1.00 4.33 H new ATOM 0 HD2 PHE A 116 2.834 8.276 7.351 1.00 54.31 H new ATOM 0 HE1 PHE A 116 4.913 3.773 7.190 1.00 73.24 H new ATOM 0 HE2 PHE A 116 4.393 7.698 5.507 1.00 61.34 H new ATOM 0 HZ PHE A 116 5.500 5.470 5.477 1.00 73.21 H new ATOM 1643 N ILE A 117 -0.845 5.465 8.971 1.00 54.53 N ATOM 1644 CA ILE A 117 -1.712 4.532 8.285 1.00 15.03 C ATOM 1645 C ILE A 117 -2.968 5.292 7.824 1.00 72.24 C ATOM 1646 O ILE A 117 -3.461 5.040 6.726 1.00 21.12 O ATOM 1647 CB ILE A 117 -1.974 3.307 9.178 1.00 43.31 C ATOM 1648 CG1 ILE A 117 -0.645 2.565 9.443 1.00 51.21 C ATOM 1649 CG2 ILE A 117 -2.905 2.355 8.428 1.00 54.45 C ATOM 1650 CD1 ILE A 117 -0.719 1.527 10.559 1.00 31.20 C ATOM 0 H ILE A 117 -0.851 5.378 9.987 1.00 54.53 H new ATOM 0 HA ILE A 117 -1.251 4.124 7.386 1.00 15.03 H new ATOM 0 HB ILE A 117 -2.416 3.629 10.121 1.00 43.31 H new ATOM 0 HG12 ILE A 117 -0.328 2.072 8.524 1.00 51.21 H new ATOM 0 HG13 ILE A 117 0.123 3.297 9.693 1.00 51.21 H new ATOM 0 HG21 ILE A 117 -3.103 1.479 9.045 1.00 54.45 H new ATOM 0 HG22 ILE A 117 -3.844 2.863 8.207 1.00 54.45 H new ATOM 0 HG23 ILE A 117 -2.433 2.043 7.496 1.00 54.45 H new ATOM 0 HD11 ILE A 117 0.255 1.053 10.680 1.00 31.20 H new ATOM 0 HD12 ILE A 117 -1.004 2.015 11.491 1.00 31.20 H new ATOM 0 HD13 ILE A 117 -1.461 0.771 10.304 1.00 31.20 H new ATOM 1662 N ASN A 118 -3.500 6.219 8.632 1.00 60.42 N ATOM 1663 CA ASN A 118 -4.691 6.989 8.265 1.00 21.50 C ATOM 1664 C ASN A 118 -4.486 7.812 7.000 1.00 41.52 C ATOM 1665 O ASN A 118 -5.337 7.763 6.116 1.00 32.40 O ATOM 1666 CB ASN A 118 -5.144 7.909 9.403 1.00 52.01 C ATOM 1667 CG ASN A 118 -6.215 8.886 8.919 1.00 54.54 C ATOM 1668 OD1 ASN A 118 -5.902 10.005 8.514 1.00 61.54 O ATOM 1669 ND2 ASN A 118 -7.481 8.502 8.924 1.00 25.53 N ATOM 0 H ASN A 118 -3.120 6.453 9.549 1.00 60.42 H new ATOM 0 HA ASN A 118 -5.471 6.253 8.070 1.00 21.50 H new ATOM 0 HB2 ASN A 118 -5.536 7.311 10.226 1.00 52.01 H new ATOM 0 HB3 ASN A 118 -4.289 8.463 9.791 1.00 52.01 H new ATOM 0 HD21 ASN A 118 -8.207 9.135 8.590 1.00 25.53 H new ATOM 0 HD22 ASN A 118 -7.731 7.572 9.262 1.00 25.53 H new ATOM 1676 N GLU A 119 -3.397 8.576 6.903 1.00 45.03 N ATOM 1677 CA GLU A 119 -3.133 9.403 5.726 1.00 14.14 C ATOM 1678 C GLU A 119 -3.100 8.536 4.457 1.00 60.42 C ATOM 1679 O GLU A 119 -3.579 8.960 3.403 1.00 35.21 O ATOM 1680 CB GLU A 119 -1.852 10.230 5.941 1.00 4.51 C ATOM 1681 CG GLU A 119 -0.600 9.354 5.849 1.00 53.12 C ATOM 1682 CD GLU A 119 0.699 10.030 6.274 1.00 23.14 C ATOM 1683 OE1 GLU A 119 0.781 10.561 7.410 1.00 25.25 O ATOM 1684 OE2 GLU A 119 1.664 9.996 5.480 1.00 42.33 O ATOM 0 H GLU A 119 -2.682 8.639 7.628 1.00 45.03 H new ATOM 0 HA GLU A 119 -3.944 10.117 5.583 1.00 14.14 H new ATOM 0 HB2 GLU A 119 -1.799 11.023 5.195 1.00 4.51 H new ATOM 0 HB3 GLU A 119 -1.889 10.714 6.917 1.00 4.51 H new ATOM 0 HG2 GLU A 119 -0.749 8.469 6.467 1.00 53.12 H new ATOM 0 HG3 GLU A 119 -0.492 9.010 4.820 1.00 53.12 H new ATOM 1691 N ILE A 120 -2.573 7.311 4.561 1.00 22.34 N ATOM 1692 CA ILE A 120 -2.478 6.363 3.466 1.00 22.20 C ATOM 1693 C ILE A 120 -3.884 5.894 3.092 1.00 74.51 C ATOM 1694 O ILE A 120 -4.186 5.767 1.900 1.00 33.34 O ATOM 1695 CB ILE A 120 -1.528 5.206 3.865 1.00 12.45 C ATOM 1696 CG1 ILE A 120 -0.056 5.668 3.902 1.00 73.32 C ATOM 1697 CG2 ILE A 120 -1.705 3.974 2.964 1.00 4.44 C ATOM 1698 CD1 ILE A 120 0.573 5.855 2.520 1.00 12.22 C ATOM 0 H ILE A 120 -2.193 6.950 5.436 1.00 22.34 H new ATOM 0 HA ILE A 120 -2.048 6.826 2.578 1.00 22.20 H new ATOM 0 HB ILE A 120 -1.806 4.905 4.875 1.00 12.45 H new ATOM 0 HG12 ILE A 120 0.005 6.610 4.448 1.00 73.32 H new ATOM 0 HG13 ILE A 120 0.529 4.937 4.460 1.00 73.32 H new ATOM 0 HG21 ILE A 120 -1.018 3.189 3.282 1.00 4.44 H new ATOM 0 HG22 ILE A 120 -2.730 3.612 3.040 1.00 4.44 H new ATOM 0 HG23 ILE A 120 -1.492 4.246 1.930 1.00 4.44 H new ATOM 0 HD11 ILE A 120 1.607 6.180 2.632 1.00 12.22 H new ATOM 0 HD12 ILE A 120 0.547 4.910 1.977 1.00 12.22 H new ATOM 0 HD13 ILE A 120 0.014 6.608 1.965 1.00 12.22 H new ATOM 1710 N THR A 121 -4.753 5.611 4.064 1.00 53.21 N ATOM 1711 CA THR A 121 -6.103 5.171 3.735 1.00 5.22 C ATOM 1712 C THR A 121 -6.970 6.305 3.180 1.00 45.24 C ATOM 1713 O THR A 121 -7.859 6.049 2.349 1.00 21.40 O ATOM 1714 CB THR A 121 -6.731 4.345 4.863 1.00 40.22 C ATOM 1715 OG1 THR A 121 -6.887 5.064 6.070 1.00 74.22 O ATOM 1716 CG2 THR A 121 -5.883 3.093 5.136 1.00 5.01 C ATOM 0 H THR A 121 -4.550 5.677 5.061 1.00 53.21 H new ATOM 0 HA THR A 121 -6.034 4.471 2.902 1.00 5.22 H new ATOM 0 HB THR A 121 -7.728 4.072 4.517 1.00 40.22 H new ATOM 0 HG1 THR A 121 -6.363 5.891 6.028 1.00 74.22 H new ATOM 0 HG21 THR A 121 -6.338 2.513 5.939 1.00 5.01 H new ATOM 0 HG22 THR A 121 -5.832 2.484 4.233 1.00 5.01 H new ATOM 0 HG23 THR A 121 -4.877 3.392 5.430 1.00 5.01 H new ATOM 1724 N GLN A 122 -6.691 7.556 3.581 1.00 55.03 N ATOM 1725 CA GLN A 122 -7.442 8.702 3.082 1.00 61.31 C ATOM 1726 C GLN A 122 -7.201 8.844 1.582 1.00 12.30 C ATOM 1727 O GLN A 122 -8.129 9.186 0.860 1.00 32.24 O ATOM 1728 CB GLN A 122 -7.109 10.017 3.809 1.00 0.45 C ATOM 1729 CG GLN A 122 -7.596 10.095 5.266 1.00 60.42 C ATOM 1730 CD GLN A 122 -8.959 9.441 5.481 1.00 71.13 C ATOM 1731 OE1 GLN A 122 -9.983 9.947 5.025 1.00 3.13 O ATOM 1732 NE2 GLN A 122 -8.994 8.290 6.133 1.00 2.14 N ATOM 0 H GLN A 122 -5.954 7.791 4.246 1.00 55.03 H new ATOM 0 HA GLN A 122 -8.496 8.510 3.282 1.00 61.31 H new ATOM 0 HB2 GLN A 122 -6.028 10.159 3.795 1.00 0.45 H new ATOM 0 HB3 GLN A 122 -7.547 10.844 3.251 1.00 0.45 H new ATOM 0 HG2 GLN A 122 -6.863 9.613 5.913 1.00 60.42 H new ATOM 0 HG3 GLN A 122 -7.650 11.141 5.569 1.00 60.42 H new ATOM 0 HE21 GLN A 122 -8.133 7.887 6.503 1.00 2.14 H new ATOM 0 HE22 GLN A 122 -9.882 7.806 6.265 1.00 2.14 H new ATOM 1741 N LEU A 123 -5.996 8.545 1.081 1.00 0.32 N ATOM 1742 CA LEU A 123 -5.700 8.643 -0.350 1.00 22.12 C ATOM 1743 C LEU A 123 -6.648 7.753 -1.155 1.00 42.45 C ATOM 1744 O LEU A 123 -7.219 8.213 -2.137 1.00 14.42 O ATOM 1745 CB LEU A 123 -4.241 8.255 -0.643 1.00 11.33 C ATOM 1746 CG LEU A 123 -3.213 9.285 -0.156 1.00 4.11 C ATOM 1747 CD1 LEU A 123 -1.804 8.684 -0.130 1.00 14.13 C ATOM 1748 CD2 LEU A 123 -3.191 10.536 -1.037 1.00 24.40 C ATOM 0 H LEU A 123 -5.209 8.232 1.650 1.00 0.32 H new ATOM 0 HA LEU A 123 -5.846 9.681 -0.650 1.00 22.12 H new ATOM 0 HB2 LEU A 123 -4.029 7.295 -0.173 1.00 11.33 H new ATOM 0 HB3 LEU A 123 -4.121 8.117 -1.718 1.00 11.33 H new ATOM 0 HG LEU A 123 -3.517 9.568 0.852 1.00 4.11 H new ATOM 0 HD11 LEU A 123 -1.095 9.435 0.219 1.00 14.13 H new ATOM 0 HD12 LEU A 123 -1.786 7.827 0.544 1.00 14.13 H new ATOM 0 HD13 LEU A 123 -1.527 8.362 -1.134 1.00 14.13 H new ATOM 0 HD21 LEU A 123 -2.449 11.237 -0.655 1.00 24.40 H new ATOM 0 HD22 LEU A 123 -2.934 10.257 -2.059 1.00 24.40 H new ATOM 0 HD23 LEU A 123 -4.174 11.006 -1.026 1.00 24.40 H new ATOM 1760 N VAL A 124 -6.854 6.504 -0.734 1.00 24.20 N ATOM 1761 CA VAL A 124 -7.732 5.570 -1.433 1.00 31.14 C ATOM 1762 C VAL A 124 -9.174 6.081 -1.446 1.00 42.42 C ATOM 1763 O VAL A 124 -9.814 6.110 -2.498 1.00 2.42 O ATOM 1764 CB VAL A 124 -7.683 4.186 -0.758 1.00 40.44 C ATOM 1765 CG1 VAL A 124 -8.480 3.130 -1.537 1.00 4.00 C ATOM 1766 CG2 VAL A 124 -6.269 3.646 -0.587 1.00 73.21 C ATOM 0 H VAL A 124 -6.416 6.114 0.101 1.00 24.20 H new ATOM 0 HA VAL A 124 -7.382 5.485 -2.462 1.00 31.14 H new ATOM 0 HB VAL A 124 -8.127 4.355 0.223 1.00 40.44 H new ATOM 0 HG11 VAL A 124 -8.415 2.172 -1.022 1.00 4.00 H new ATOM 0 HG12 VAL A 124 -9.524 3.437 -1.602 1.00 4.00 H new ATOM 0 HG13 VAL A 124 -8.068 3.031 -2.541 1.00 4.00 H new ATOM 0 HG21 VAL A 124 -6.308 2.669 -0.106 1.00 73.21 H new ATOM 0 HG22 VAL A 124 -5.795 3.550 -1.564 1.00 73.21 H new ATOM 0 HG23 VAL A 124 -5.690 4.332 0.031 1.00 73.21 H new ATOM 1776 N SER A 125 -9.705 6.444 -0.276 1.00 14.43 N ATOM 1777 CA SER A 125 -11.077 6.924 -0.162 1.00 20.25 C ATOM 1778 C SER A 125 -11.277 8.248 -0.904 1.00 60.25 C ATOM 1779 O SER A 125 -12.364 8.497 -1.425 1.00 34.12 O ATOM 1780 CB SER A 125 -11.506 6.966 1.313 1.00 64.23 C ATOM 1781 OG SER A 125 -10.478 7.438 2.168 1.00 21.40 O ATOM 0 H SER A 125 -9.199 6.413 0.609 1.00 14.43 H new ATOM 0 HA SER A 125 -11.743 6.219 -0.659 1.00 20.25 H new ATOM 0 HB2 SER A 125 -12.381 7.608 1.415 1.00 64.23 H new ATOM 0 HB3 SER A 125 -11.805 5.967 1.629 1.00 64.23 H new ATOM 0 HG SER A 125 -9.890 8.044 1.670 1.00 21.40 H new ATOM 1787 N MET A 126 -10.252 9.095 -0.977 1.00 5.53 N ATOM 1788 CA MET A 126 -10.299 10.370 -1.674 1.00 4.42 C ATOM 1789 C MET A 126 -10.280 10.117 -3.180 1.00 60.34 C ATOM 1790 O MET A 126 -11.063 10.728 -3.898 1.00 51.21 O ATOM 1791 CB MET A 126 -9.119 11.245 -1.231 1.00 34.33 C ATOM 1792 CG MET A 126 -9.166 12.636 -1.867 1.00 61.53 C ATOM 1793 SD MET A 126 -7.897 13.766 -1.239 1.00 15.44 S ATOM 1794 CE MET A 126 -6.416 13.038 -1.980 1.00 62.24 C ATOM 0 H MET A 126 -9.349 8.906 -0.543 1.00 5.53 H new ATOM 0 HA MET A 126 -11.217 10.903 -1.428 1.00 4.42 H new ATOM 0 HB2 MET A 126 -9.127 11.342 -0.145 1.00 34.33 H new ATOM 0 HB3 MET A 126 -8.183 10.755 -1.500 1.00 34.33 H new ATOM 0 HG2 MET A 126 -9.050 12.537 -2.946 1.00 61.53 H new ATOM 0 HG3 MET A 126 -10.149 13.073 -1.691 1.00 61.53 H new ATOM 0 HE1 MET A 126 -5.740 12.707 -1.192 1.00 62.24 H new ATOM 0 HE2 MET A 126 -6.699 12.185 -2.597 1.00 62.24 H new ATOM 0 HE3 MET A 126 -5.915 13.783 -2.598 1.00 62.24 H new ATOM 1804 N PHE A 127 -9.424 9.208 -3.662 1.00 11.30 N ATOM 1805 CA PHE A 127 -9.310 8.886 -5.081 1.00 12.34 C ATOM 1806 C PHE A 127 -10.615 8.285 -5.595 1.00 40.42 C ATOM 1807 O PHE A 127 -11.112 8.688 -6.648 1.00 41.11 O ATOM 1808 CB PHE A 127 -8.113 7.949 -5.296 1.00 2.34 C ATOM 1809 CG PHE A 127 -7.716 7.692 -6.744 1.00 23.13 C ATOM 1810 CD1 PHE A 127 -6.481 8.173 -7.225 1.00 20.43 C ATOM 1811 CD2 PHE A 127 -8.546 6.953 -7.612 1.00 62.43 C ATOM 1812 CE1 PHE A 127 -6.101 7.947 -8.559 1.00 62.52 C ATOM 1813 CE2 PHE A 127 -8.146 6.694 -8.934 1.00 64.54 C ATOM 1814 CZ PHE A 127 -6.920 7.187 -9.411 1.00 52.31 C ATOM 0 H PHE A 127 -8.788 8.674 -3.070 1.00 11.30 H new ATOM 0 HA PHE A 127 -9.132 9.795 -5.656 1.00 12.34 H new ATOM 0 HB2 PHE A 127 -7.252 8.366 -4.773 1.00 2.34 H new ATOM 0 HB3 PHE A 127 -8.338 6.991 -4.827 1.00 2.34 H new ATOM 0 HD1 PHE A 127 -5.823 8.718 -6.564 1.00 20.43 H new ATOM 0 HD2 PHE A 127 -9.497 6.583 -7.258 1.00 62.43 H new ATOM 0 HE1 PHE A 127 -5.175 8.360 -8.931 1.00 62.52 H new ATOM 0 HE2 PHE A 127 -8.783 6.114 -9.585 1.00 64.54 H new ATOM 0 HZ PHE A 127 -6.609 6.983 -10.425 1.00 52.31 H new ATOM 1824 N ALA A 128 -11.174 7.326 -4.852 1.00 60.21 N ATOM 1825 CA ALA A 128 -12.406 6.656 -5.229 1.00 2.11 C ATOM 1826 C ALA A 128 -13.615 7.599 -5.220 1.00 4.24 C ATOM 1827 O ALA A 128 -14.320 7.689 -6.224 1.00 14.24 O ATOM 1828 CB ALA A 128 -12.638 5.450 -4.312 1.00 3.02 C ATOM 0 H ALA A 128 -10.778 6.997 -3.971 1.00 60.21 H new ATOM 0 HA ALA A 128 -12.297 6.311 -6.257 1.00 2.11 H new ATOM 0 HB1 ALA A 128 -13.563 4.949 -4.597 1.00 3.02 H new ATOM 0 HB2 ALA A 128 -11.804 4.754 -4.408 1.00 3.02 H new ATOM 0 HB3 ALA A 128 -12.712 5.788 -3.278 1.00 3.02 H new ATOM 1834 N GLN A 129 -13.880 8.277 -4.098 1.00 1.31 N ATOM 1835 CA GLN A 129 -15.029 9.174 -3.992 1.00 52.44 C ATOM 1836 C GLN A 129 -14.880 10.443 -4.834 1.00 14.14 C ATOM 1837 O GLN A 129 -15.840 10.809 -5.517 1.00 21.24 O ATOM 1838 CB GLN A 129 -15.299 9.552 -2.529 1.00 72.44 C ATOM 1839 CG GLN A 129 -15.720 8.359 -1.659 1.00 41.43 C ATOM 1840 CD GLN A 129 -16.156 8.831 -0.275 1.00 4.21 C ATOM 1841 OE1 GLN A 129 -17.146 9.550 -0.136 1.00 20.11 O ATOM 1842 NE2 GLN A 129 -15.496 8.408 0.788 1.00 64.14 N ATOM 0 H GLN A 129 -13.313 8.220 -3.252 1.00 1.31 H new ATOM 0 HA GLN A 129 -15.879 8.619 -4.389 1.00 52.44 H new ATOM 0 HB2 GLN A 129 -14.401 10.002 -2.106 1.00 72.44 H new ATOM 0 HB3 GLN A 129 -16.081 10.310 -2.496 1.00 72.44 H new ATOM 0 HG2 GLN A 129 -16.537 7.822 -2.140 1.00 41.43 H new ATOM 0 HG3 GLN A 129 -14.890 7.659 -1.566 1.00 41.43 H new ATOM 0 HE21 GLN A 129 -14.676 7.812 0.675 1.00 64.14 H new ATOM 0 HE22 GLN A 129 -15.807 8.677 1.722 1.00 64.14 H new