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 91 SER OG : rot -32:sc= 1.25 USER MOD Set 1.2: A 129 GLN : amide:sc= 1 K(o=2.3,f=0.25) USER MOD Set 2.1: A 30 MET CE :methyl -161:sc= -0.198 (180deg=-0.588) USER MOD Set 2.2: A 96 SER OG : rot 161:sc= 1.29 USER MOD Set 3.1: A 46 GLN : amide:sc= 0.796 K(o=3.2,f=-1.3) USER MOD Set 3.2: A 50 GLN : amide:sc= 1.72 K(o=3.2,f=-1.2) USER MOD Set 3.3: A 53 GLN : amide:sc= 0.705 K(o=3.2,f=-1.4) USER MOD Set 4.1: A 28 SER OG : rot -67:sc= 0.109 USER MOD Set 4.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 18 ASN : amide:sc= -0.165 K(o=0.7,f=-2.1!) USER MOD Set 5.2: A 22 SER OG : rot 92:sc= 0.864 USER MOD Set 6.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 61 THR OG1 : rot 48:sc= 0.0157 USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.0833 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.105 K(o=-0.11,f=-0.91) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 68:sc= 0.967 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 63:sc= 0.0898 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc=-0.00709 X(o=-0.0071,f=-0.061) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.75) USER MOD Single : A 70 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.9!) USER MOD Single : A 71 MET CE :methyl -171:sc= -0.81 (180deg=-0.959) USER MOD Single : A 75 SER OG : rot 71:sc= 1.29 USER MOD Single : A 76 SER OG : rot 70:sc= 0.325 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.00759 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00958 USER MOD Single : A 93 LYS NZ :NH3+ -156:sc= 0.445 (180deg=0.222) USER MOD Single : A 94 THR OG1 : rot 22:sc= 0.575 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 65:sc= 1.2 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.021) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0751 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 121 THR OG1 : rot 146:sc= 0.0443 USER MOD Single : A 122 GLN : amide:sc= -0.243 K(o=-0.24,f=-3.4!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 136:sc=-0.00333 (180deg=-0.155) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 8 12.180 4.084 4.572 1.00 52.54 N ATOM 83 CA THR A 8 10.783 3.892 4.192 1.00 24.45 C ATOM 84 C THR A 8 10.642 2.508 3.555 1.00 33.30 C ATOM 85 O THR A 8 11.647 1.939 3.116 1.00 41.34 O ATOM 86 CB THR A 8 10.365 4.988 3.188 1.00 64.54 C ATOM 87 OG1 THR A 8 11.310 5.087 2.138 1.00 60.33 O ATOM 88 CG2 THR A 8 10.162 6.350 3.845 1.00 20.02 C ATOM 0 HA THR A 8 10.138 3.961 5.068 1.00 24.45 H new ATOM 0 HB THR A 8 9.400 4.685 2.781 1.00 64.54 H new ATOM 0 HG1 THR A 8 11.221 5.959 1.699 1.00 60.33 H new ATOM 0 HG21 THR A 8 9.869 7.079 3.089 1.00 20.02 H new ATOM 0 HG22 THR A 8 9.380 6.277 4.600 1.00 20.02 H new ATOM 0 HG23 THR A 8 11.092 6.669 4.316 1.00 20.02 H new ATOM 96 N PRO A 9 9.420 1.965 3.428 1.00 34.03 N ATOM 97 CA PRO A 9 9.234 0.661 2.810 1.00 72.42 C ATOM 98 C PRO A 9 9.468 0.747 1.294 1.00 73.03 C ATOM 99 O PRO A 9 9.591 -0.281 0.637 1.00 60.32 O ATOM 100 CB PRO A 9 7.790 0.271 3.151 1.00 24.14 C ATOM 101 CG PRO A 9 7.082 1.618 3.204 1.00 3.45 C ATOM 102 CD PRO A 9 8.139 2.500 3.873 1.00 30.30 C ATOM 0 HA PRO A 9 9.941 -0.085 3.173 1.00 72.42 H new ATOM 0 HB2 PRO A 9 7.358 -0.384 2.394 1.00 24.14 H new ATOM 0 HB3 PRO A 9 7.727 -0.257 4.103 1.00 24.14 H new ATOM 0 HG2 PRO A 9 6.816 1.980 2.211 1.00 3.45 H new ATOM 0 HG3 PRO A 9 6.160 1.573 3.784 1.00 3.45 H new ATOM 0 HD2 PRO A 9 8.025 3.543 3.579 1.00 30.30 H new ATOM 0 HD3 PRO A 9 8.053 2.463 4.959 1.00 30.30 H new ATOM 110 N TRP A 10 9.541 1.959 0.734 1.00 45.12 N ATOM 111 CA TRP A 10 9.744 2.213 -0.679 1.00 52.34 C ATOM 112 C TRP A 10 11.223 2.401 -1.013 1.00 72.04 C ATOM 113 O TRP A 10 11.622 2.093 -2.130 1.00 31.43 O ATOM 114 CB TRP A 10 8.936 3.457 -1.065 1.00 71.13 C ATOM 115 CG TRP A 10 7.507 3.450 -0.616 1.00 1.44 C ATOM 116 CD1 TRP A 10 7.041 4.063 0.495 1.00 23.43 C ATOM 117 CD2 TRP A 10 6.343 2.833 -1.248 1.00 21.41 C ATOM 118 NE1 TRP A 10 5.684 3.851 0.601 1.00 34.35 N ATOM 119 CE2 TRP A 10 5.202 3.082 -0.431 1.00 32.33 C ATOM 120 CE3 TRP A 10 6.126 2.112 -2.442 1.00 20.43 C ATOM 121 CZ2 TRP A 10 3.922 2.613 -0.756 1.00 30.14 C ATOM 122 CZ3 TRP A 10 4.839 1.663 -2.798 1.00 62.34 C ATOM 123 CH2 TRP A 10 3.747 1.889 -1.944 1.00 73.12 C ATOM 0 H TRP A 10 9.456 2.816 1.281 1.00 45.12 H new ATOM 0 HA TRP A 10 9.402 1.351 -1.251 1.00 52.34 H new ATOM 0 HB2 TRP A 10 9.428 4.335 -0.647 1.00 71.13 H new ATOM 0 HB3 TRP A 10 8.960 3.565 -2.149 1.00 71.13 H new ATOM 0 HD1 TRP A 10 7.640 4.631 1.192 1.00 23.43 H new ATOM 0 HE1 TRP A 10 5.106 4.221 1.356 1.00 34.35 H new ATOM 0 HE3 TRP A 10 6.961 1.901 -3.094 1.00 20.43 H new ATOM 0 HZ2 TRP A 10 3.084 2.806 -0.102 1.00 30.14 H new ATOM 0 HZ3 TRP A 10 4.691 1.142 -3.733 1.00 62.34 H new ATOM 0 HH2 TRP A 10 2.771 1.505 -2.203 1.00 73.12 H new ATOM 134 N THR A 11 12.048 2.922 -0.097 1.00 44.54 N ATOM 135 CA THR A 11 13.473 3.109 -0.373 1.00 3.22 C ATOM 136 C THR A 11 14.215 1.767 -0.244 1.00 31.54 C ATOM 137 O THR A 11 15.337 1.642 -0.747 1.00 14.14 O ATOM 138 CB THR A 11 14.039 4.242 0.515 1.00 24.43 C ATOM 139 OG1 THR A 11 15.181 4.845 -0.057 1.00 40.44 O ATOM 140 CG2 THR A 11 14.421 3.807 1.931 1.00 52.00 C ATOM 0 H THR A 11 11.754 3.219 0.834 1.00 44.54 H new ATOM 0 HA THR A 11 13.626 3.434 -1.402 1.00 3.22 H new ATOM 0 HB THR A 11 13.211 4.948 0.579 1.00 24.43 H new ATOM 0 HG1 THR A 11 15.506 5.556 0.534 1.00 40.44 H new ATOM 0 HG21 THR A 11 14.808 4.664 2.483 1.00 52.00 H new ATOM 0 HG22 THR A 11 13.541 3.414 2.441 1.00 52.00 H new ATOM 0 HG23 THR A 11 15.186 3.033 1.880 1.00 52.00 H new ATOM 148 N ASN A 12 13.620 0.761 0.422 1.00 10.41 N ATOM 149 CA ASN A 12 14.225 -0.552 0.600 1.00 42.01 C ATOM 150 C ASN A 12 13.443 -1.577 -0.236 1.00 53.21 C ATOM 151 O ASN A 12 12.269 -1.808 0.043 1.00 42.21 O ATOM 152 CB ASN A 12 14.293 -1.016 2.058 1.00 71.01 C ATOM 153 CG ASN A 12 14.742 -0.003 3.104 1.00 15.34 C ATOM 154 OD1 ASN A 12 14.075 0.222 4.115 1.00 72.34 O ATOM 155 ND2 ASN A 12 15.891 0.618 2.923 1.00 71.12 N ATOM 0 H ASN A 12 12.699 0.847 0.851 1.00 10.41 H new ATOM 0 HA ASN A 12 15.259 -0.471 0.264 1.00 42.01 H new ATOM 0 HB2 ASN A 12 13.304 -1.375 2.342 1.00 71.01 H new ATOM 0 HB3 ASN A 12 14.968 -1.870 2.107 1.00 71.01 H new ATOM 0 HD21 ASN A 12 16.226 1.283 3.620 1.00 71.12 H new ATOM 0 HD22 ASN A 12 16.445 0.433 2.087 1.00 71.12 H new ATOM 162 N PRO A 13 14.056 -2.230 -1.234 1.00 24.54 N ATOM 163 CA PRO A 13 13.394 -3.206 -2.104 1.00 34.25 C ATOM 164 C PRO A 13 12.986 -4.511 -1.408 1.00 34.51 C ATOM 165 O PRO A 13 12.007 -5.132 -1.828 1.00 51.02 O ATOM 166 CB PRO A 13 14.400 -3.478 -3.230 1.00 20.12 C ATOM 167 CG PRO A 13 15.735 -3.223 -2.536 1.00 20.30 C ATOM 168 CD PRO A 13 15.434 -2.043 -1.637 1.00 51.02 C ATOM 0 HA PRO A 13 12.447 -2.799 -2.457 1.00 34.25 H new ATOM 0 HB2 PRO A 13 14.325 -4.498 -3.606 1.00 20.12 H new ATOM 0 HB3 PRO A 13 14.249 -2.813 -4.080 1.00 20.12 H new ATOM 0 HG2 PRO A 13 16.065 -4.091 -1.965 1.00 20.30 H new ATOM 0 HG3 PRO A 13 16.524 -2.994 -3.252 1.00 20.30 H new ATOM 0 HD2 PRO A 13 16.100 -2.023 -0.774 1.00 51.02 H new ATOM 0 HD3 PRO A 13 15.568 -1.099 -2.165 1.00 51.02 H new ATOM 176 N GLY A 14 13.734 -4.974 -0.403 1.00 23.13 N ATOM 177 CA GLY A 14 13.411 -6.203 0.317 1.00 45.44 C ATOM 178 C GLY A 14 12.191 -5.959 1.195 1.00 34.25 C ATOM 179 O GLY A 14 11.279 -6.789 1.234 1.00 42.21 O ATOM 0 H GLY A 14 14.577 -4.508 -0.068 1.00 23.13 H new ATOM 0 HA2 GLY A 14 13.212 -7.011 -0.388 1.00 45.44 H new ATOM 0 HA3 GLY A 14 14.258 -6.515 0.928 1.00 45.44 H new ATOM 183 N LEU A 15 12.159 -4.800 1.864 1.00 11.15 N ATOM 184 CA LEU A 15 11.063 -4.389 2.726 1.00 65.31 C ATOM 185 C LEU A 15 9.839 -4.226 1.831 1.00 12.22 C ATOM 186 O LEU A 15 8.771 -4.675 2.220 1.00 44.23 O ATOM 187 CB LEU A 15 11.407 -3.084 3.468 1.00 43.54 C ATOM 188 CG LEU A 15 10.595 -2.777 4.744 1.00 30.52 C ATOM 189 CD1 LEU A 15 9.076 -2.795 4.572 1.00 44.23 C ATOM 190 CD2 LEU A 15 10.953 -3.710 5.905 1.00 52.03 C ATOM 0 H LEU A 15 12.912 -4.114 1.815 1.00 11.15 H new ATOM 0 HA LEU A 15 10.870 -5.133 3.499 1.00 65.31 H new ATOM 0 HB2 LEU A 15 12.463 -3.113 3.736 1.00 43.54 H new ATOM 0 HB3 LEU A 15 11.277 -2.254 2.774 1.00 43.54 H new ATOM 0 HG LEU A 15 10.887 -1.752 4.971 1.00 30.52 H new ATOM 0 HD11 LEU A 15 8.599 -2.568 5.525 1.00 44.23 H new ATOM 0 HD12 LEU A 15 8.785 -2.048 3.833 1.00 44.23 H new ATOM 0 HD13 LEU A 15 8.760 -3.782 4.235 1.00 44.23 H new ATOM 0 HD21 LEU A 15 10.354 -3.451 6.778 1.00 52.03 H new ATOM 0 HD22 LEU A 15 10.750 -4.742 5.618 1.00 52.03 H new ATOM 0 HD23 LEU A 15 12.010 -3.602 6.146 1.00 52.03 H new ATOM 202 N ALA A 16 9.982 -3.647 0.631 1.00 62.33 N ATOM 203 CA ALA A 16 8.867 -3.472 -0.288 1.00 60.43 C ATOM 204 C ALA A 16 8.209 -4.824 -0.563 1.00 60.13 C ATOM 205 O ALA A 16 6.996 -4.943 -0.421 1.00 51.34 O ATOM 206 CB ALA A 16 9.332 -2.805 -1.588 1.00 0.43 C ATOM 0 H ALA A 16 10.871 -3.291 0.279 1.00 62.33 H new ATOM 0 HA ALA A 16 8.129 -2.814 0.170 1.00 60.43 H new ATOM 0 HB1 ALA A 16 8.482 -2.684 -2.259 1.00 0.43 H new ATOM 0 HB2 ALA A 16 9.758 -1.827 -1.363 1.00 0.43 H new ATOM 0 HB3 ALA A 16 10.087 -3.428 -2.067 1.00 0.43 H new ATOM 212 N GLU A 17 9.001 -5.841 -0.919 1.00 34.15 N ATOM 213 CA GLU A 17 8.495 -7.182 -1.191 1.00 15.20 C ATOM 214 C GLU A 17 7.757 -7.720 0.044 1.00 42.11 C ATOM 215 O GLU A 17 6.631 -8.205 -0.062 1.00 30.41 O ATOM 216 CB GLU A 17 9.666 -8.103 -1.576 1.00 51.34 C ATOM 217 CG GLU A 17 9.178 -9.499 -1.981 1.00 54.21 C ATOM 218 CD GLU A 17 10.290 -10.542 -1.963 1.00 12.31 C ATOM 219 OE1 GLU A 17 11.242 -10.427 -2.773 1.00 64.24 O ATOM 220 OE2 GLU A 17 10.149 -11.524 -1.198 1.00 63.24 O ATOM 0 H GLU A 17 10.012 -5.753 -1.026 1.00 34.15 H new ATOM 0 HA GLU A 17 7.791 -7.149 -2.022 1.00 15.20 H new ATOM 0 HB2 GLU A 17 10.223 -7.658 -2.401 1.00 51.34 H new ATOM 0 HB3 GLU A 17 10.355 -8.188 -0.735 1.00 51.34 H new ATOM 0 HG2 GLU A 17 8.382 -9.811 -1.305 1.00 54.21 H new ATOM 0 HG3 GLU A 17 8.746 -9.452 -2.981 1.00 54.21 H new ATOM 227 N ASN A 18 8.389 -7.619 1.217 1.00 50.24 N ATOM 228 CA ASN A 18 7.852 -8.088 2.493 1.00 32.23 C ATOM 229 C ASN A 18 6.523 -7.406 2.812 1.00 10.12 C ATOM 230 O ASN A 18 5.562 -8.055 3.211 1.00 15.00 O ATOM 231 CB ASN A 18 8.876 -7.793 3.596 1.00 3.51 C ATOM 232 CG ASN A 18 8.568 -8.437 4.945 1.00 44.00 C ATOM 233 OD1 ASN A 18 7.430 -8.706 5.317 1.00 42.01 O ATOM 234 ND2 ASN A 18 9.597 -8.674 5.733 1.00 31.21 N ATOM 0 H ASN A 18 9.313 -7.197 1.305 1.00 50.24 H new ATOM 0 HA ASN A 18 7.668 -9.161 2.431 1.00 32.23 H new ATOM 0 HB2 ASN A 18 9.856 -8.133 3.262 1.00 3.51 H new ATOM 0 HB3 ASN A 18 8.942 -6.713 3.731 1.00 3.51 H new ATOM 0 HD21 ASN A 18 9.449 -9.082 6.656 1.00 31.21 H new ATOM 0 HD22 ASN A 18 10.541 -8.449 5.420 1.00 31.21 H new ATOM 241 N PHE A 19 6.463 -6.086 2.657 1.00 32.54 N ATOM 242 CA PHE A 19 5.298 -5.257 2.905 1.00 13.23 C ATOM 243 C PHE A 19 4.167 -5.637 1.969 1.00 34.42 C ATOM 244 O PHE A 19 3.027 -5.802 2.413 1.00 15.25 O ATOM 245 CB PHE A 19 5.702 -3.780 2.777 1.00 54.53 C ATOM 246 CG PHE A 19 4.551 -2.796 2.815 1.00 50.01 C ATOM 247 CD1 PHE A 19 4.363 -1.890 1.753 1.00 30.45 C ATOM 248 CD2 PHE A 19 3.653 -2.797 3.898 1.00 2.30 C ATOM 249 CE1 PHE A 19 3.275 -1.002 1.767 1.00 42.52 C ATOM 250 CE2 PHE A 19 2.564 -1.913 3.906 1.00 15.45 C ATOM 251 CZ PHE A 19 2.368 -1.018 2.839 1.00 3.33 C ATOM 0 H PHE A 19 7.267 -5.544 2.340 1.00 32.54 H new ATOM 0 HA PHE A 19 4.927 -5.419 3.917 1.00 13.23 H new ATOM 0 HB2 PHE A 19 6.395 -3.537 3.583 1.00 54.53 H new ATOM 0 HB3 PHE A 19 6.243 -3.647 1.840 1.00 54.53 H new ATOM 0 HD1 PHE A 19 5.057 -1.878 0.926 1.00 30.45 H new ATOM 0 HD2 PHE A 19 3.802 -3.478 4.723 1.00 2.30 H new ATOM 0 HE1 PHE A 19 3.136 -0.306 0.953 1.00 42.52 H new ATOM 0 HE2 PHE A 19 1.873 -1.920 4.736 1.00 15.45 H new ATOM 0 HZ PHE A 19 1.523 -0.345 2.844 1.00 3.33 H new ATOM 261 N LEU A 20 4.475 -5.793 0.686 1.00 65.43 N ATOM 262 CA LEU A 20 3.490 -6.164 -0.306 1.00 61.32 C ATOM 263 C LEU A 20 2.952 -7.559 0.009 1.00 14.45 C ATOM 264 O LEU A 20 1.735 -7.740 -0.002 1.00 23.42 O ATOM 265 CB LEU A 20 4.084 -6.064 -1.717 1.00 55.10 C ATOM 266 CG LEU A 20 4.356 -4.605 -2.160 1.00 24.41 C ATOM 267 CD1 LEU A 20 5.390 -4.587 -3.283 1.00 73.24 C ATOM 268 CD2 LEU A 20 3.101 -3.866 -2.635 1.00 61.33 C ATOM 0 H LEU A 20 5.415 -5.665 0.312 1.00 65.43 H new ATOM 0 HA LEU A 20 2.650 -5.470 -0.274 1.00 61.32 H new ATOM 0 HB2 LEU A 20 5.016 -6.628 -1.753 1.00 55.10 H new ATOM 0 HB3 LEU A 20 3.401 -6.531 -2.426 1.00 55.10 H new ATOM 0 HG LEU A 20 4.725 -4.084 -1.277 1.00 24.41 H new ATOM 0 HD11 LEU A 20 5.576 -3.558 -3.590 1.00 73.24 H new ATOM 0 HD12 LEU A 20 6.319 -5.034 -2.929 1.00 73.24 H new ATOM 0 HD13 LEU A 20 5.014 -5.156 -4.133 1.00 73.24 H new ATOM 0 HD21 LEU A 20 3.366 -2.851 -2.930 1.00 61.33 H new ATOM 0 HD22 LEU A 20 2.671 -4.391 -3.488 1.00 61.33 H new ATOM 0 HD23 LEU A 20 2.372 -3.830 -1.826 1.00 61.33 H new ATOM 280 N ASN A 21 3.824 -8.516 0.340 1.00 53.13 N ATOM 281 CA ASN A 21 3.427 -9.887 0.652 1.00 2.24 C ATOM 282 C ASN A 21 2.618 -9.969 1.947 1.00 12.23 C ATOM 283 O ASN A 21 1.521 -10.521 1.948 1.00 4.22 O ATOM 284 CB ASN A 21 4.661 -10.790 0.743 1.00 24.32 C ATOM 285 CG ASN A 21 4.244 -12.250 0.855 1.00 24.51 C ATOM 286 OD1 ASN A 21 3.849 -12.872 -0.128 1.00 30.43 O ATOM 287 ND2 ASN A 21 4.303 -12.835 2.033 1.00 31.24 N ATOM 0 H ASN A 21 4.830 -8.358 0.399 1.00 53.13 H new ATOM 0 HA ASN A 21 2.785 -10.233 -0.159 1.00 2.24 H new ATOM 0 HB2 ASN A 21 5.287 -10.651 -0.138 1.00 24.32 H new ATOM 0 HB3 ASN A 21 5.262 -10.509 1.608 1.00 24.32 H new ATOM 0 HD21 ASN A 21 4.020 -13.810 2.133 1.00 31.24 H new ATOM 0 HD22 ASN A 21 4.632 -12.313 2.846 1.00 31.24 H new ATOM 294 N SER A 22 3.126 -9.397 3.041 1.00 12.02 N ATOM 295 CA SER A 22 2.488 -9.393 4.356 1.00 52.14 C ATOM 296 C SER A 22 1.101 -8.760 4.304 1.00 40.13 C ATOM 297 O SER A 22 0.164 -9.310 4.882 1.00 63.21 O ATOM 298 CB SER A 22 3.392 -8.688 5.373 1.00 30.04 C ATOM 299 OG SER A 22 4.627 -9.372 5.491 1.00 22.20 O ATOM 0 H SER A 22 4.021 -8.909 3.034 1.00 12.02 H new ATOM 0 HA SER A 22 2.349 -10.426 4.676 1.00 52.14 H new ATOM 0 HB2 SER A 22 3.567 -7.658 5.061 1.00 30.04 H new ATOM 0 HB3 SER A 22 2.897 -8.648 6.343 1.00 30.04 H new ATOM 0 HG SER A 22 5.276 -8.985 4.867 1.00 22.20 H new ATOM 305 N PHE A 23 0.954 -7.624 3.612 1.00 52.12 N ATOM 306 CA PHE A 23 -0.342 -6.968 3.494 1.00 30.20 C ATOM 307 C PHE A 23 -1.320 -7.906 2.796 1.00 42.52 C ATOM 308 O PHE A 23 -2.459 -8.037 3.226 1.00 34.20 O ATOM 309 CB PHE A 23 -0.208 -5.661 2.708 1.00 1.15 C ATOM 310 CG PHE A 23 -1.534 -5.026 2.322 1.00 13.53 C ATOM 311 CD1 PHE A 23 -1.837 -4.809 0.965 1.00 0.32 C ATOM 312 CD2 PHE A 23 -2.489 -4.696 3.303 1.00 75.31 C ATOM 313 CE1 PHE A 23 -3.067 -4.254 0.583 1.00 21.03 C ATOM 314 CE2 PHE A 23 -3.723 -4.137 2.923 1.00 64.44 C ATOM 315 CZ PHE A 23 -4.007 -3.910 1.566 1.00 63.50 C ATOM 0 H PHE A 23 1.715 -7.146 3.130 1.00 52.12 H new ATOM 0 HA PHE A 23 -0.717 -6.731 4.490 1.00 30.20 H new ATOM 0 HB2 PHE A 23 0.363 -4.949 3.304 1.00 1.15 H new ATOM 0 HB3 PHE A 23 0.367 -5.852 1.802 1.00 1.15 H new ATOM 0 HD1 PHE A 23 -1.113 -5.073 0.208 1.00 0.32 H new ATOM 0 HD2 PHE A 23 -2.274 -4.872 4.347 1.00 75.31 H new ATOM 0 HE1 PHE A 23 -3.289 -4.092 -0.461 1.00 21.03 H new ATOM 0 HE2 PHE A 23 -4.454 -3.882 3.676 1.00 64.44 H new ATOM 0 HZ PHE A 23 -4.951 -3.470 1.279 1.00 63.50 H new ATOM 325 N LEU A 24 -0.883 -8.547 1.711 1.00 12.21 N ATOM 326 CA LEU A 24 -1.731 -9.468 0.955 1.00 24.51 C ATOM 327 C LEU A 24 -2.127 -10.653 1.845 1.00 24.12 C ATOM 328 O LEU A 24 -3.308 -10.986 1.918 1.00 23.42 O ATOM 329 CB LEU A 24 -1.070 -9.889 -0.376 1.00 64.21 C ATOM 330 CG LEU A 24 -0.962 -8.729 -1.394 1.00 12.42 C ATOM 331 CD1 LEU A 24 -0.038 -9.085 -2.565 1.00 4.53 C ATOM 332 CD2 LEU A 24 -2.307 -8.281 -1.976 1.00 2.03 C ATOM 0 H LEU A 24 0.059 -8.444 1.335 1.00 12.21 H new ATOM 0 HA LEU A 24 -2.650 -8.959 0.666 1.00 24.51 H new ATOM 0 HB2 LEU A 24 -0.073 -10.279 -0.172 1.00 64.21 H new ATOM 0 HB3 LEU A 24 -1.646 -10.701 -0.820 1.00 64.21 H new ATOM 0 HG LEU A 24 -0.549 -7.904 -0.813 1.00 12.42 H new ATOM 0 HD11 LEU A 24 0.012 -8.245 -3.258 1.00 4.53 H new ATOM 0 HD12 LEU A 24 0.961 -9.303 -2.187 1.00 4.53 H new ATOM 0 HD13 LEU A 24 -0.429 -9.960 -3.084 1.00 4.53 H new ATOM 0 HD21 LEU A 24 -2.145 -7.465 -2.680 1.00 2.03 H new ATOM 0 HD22 LEU A 24 -2.777 -9.118 -2.492 1.00 2.03 H new ATOM 0 HD23 LEU A 24 -2.957 -7.941 -1.170 1.00 2.03 H new ATOM 344 N GLN A 25 -1.175 -11.250 2.566 1.00 22.13 N ATOM 345 CA GLN A 25 -1.413 -12.378 3.468 1.00 42.15 C ATOM 346 C GLN A 25 -2.452 -12.036 4.543 1.00 71.20 C ATOM 347 O GLN A 25 -3.271 -12.883 4.905 1.00 42.44 O ATOM 348 CB GLN A 25 -0.084 -12.797 4.120 1.00 45.12 C ATOM 349 CG GLN A 25 0.798 -13.643 3.187 1.00 31.24 C ATOM 350 CD GLN A 25 0.213 -15.032 2.933 1.00 74.14 C ATOM 351 OE1 GLN A 25 -0.612 -15.543 3.693 1.00 20.15 O ATOM 352 NE2 GLN A 25 0.632 -15.709 1.882 1.00 21.54 N ATOM 0 H GLN A 25 -0.198 -10.957 2.538 1.00 22.13 H new ATOM 0 HA GLN A 25 -1.814 -13.206 2.884 1.00 42.15 H new ATOM 0 HB2 GLN A 25 0.465 -11.905 4.421 1.00 45.12 H new ATOM 0 HB3 GLN A 25 -0.293 -13.364 5.027 1.00 45.12 H new ATOM 0 HG2 GLN A 25 0.919 -13.124 2.236 1.00 31.24 H new ATOM 0 HG3 GLN A 25 1.791 -13.744 3.624 1.00 31.24 H new ATOM 0 HE21 GLN A 25 1.315 -15.295 1.247 1.00 21.54 H new ATOM 0 HE22 GLN A 25 0.274 -16.647 1.704 1.00 21.54 H new ATOM 361 N GLY A 26 -2.452 -10.802 5.052 1.00 65.12 N ATOM 362 CA GLY A 26 -3.412 -10.401 6.065 1.00 72.13 C ATOM 363 C GLY A 26 -4.750 -10.014 5.448 1.00 5.35 C ATOM 364 O GLY A 26 -5.804 -10.304 6.023 1.00 51.14 O ATOM 0 H GLY A 26 -1.797 -10.070 4.776 1.00 65.12 H new ATOM 0 HA2 GLY A 26 -3.559 -11.218 6.771 1.00 72.13 H new ATOM 0 HA3 GLY A 26 -3.014 -9.558 6.631 1.00 72.13 H new ATOM 368 N LEU A 27 -4.714 -9.362 4.288 1.00 60.00 N ATOM 369 CA LEU A 27 -5.865 -8.898 3.535 1.00 14.12 C ATOM 370 C LEU A 27 -6.732 -10.046 3.040 1.00 62.40 C ATOM 371 O LEU A 27 -7.947 -9.914 3.090 1.00 34.44 O ATOM 372 CB LEU A 27 -5.380 -8.064 2.349 1.00 20.14 C ATOM 373 CG LEU A 27 -6.484 -7.586 1.403 1.00 72.00 C ATOM 374 CD1 LEU A 27 -7.557 -6.772 2.128 1.00 43.33 C ATOM 375 CD2 LEU A 27 -5.802 -6.727 0.340 1.00 24.22 C ATOM 0 H LEU A 27 -3.832 -9.134 3.828 1.00 60.00 H new ATOM 0 HA LEU A 27 -6.482 -8.294 4.200 1.00 14.12 H new ATOM 0 HB2 LEU A 27 -4.846 -7.193 2.730 1.00 20.14 H new ATOM 0 HB3 LEU A 27 -4.663 -8.654 1.778 1.00 20.14 H new ATOM 0 HG LEU A 27 -6.996 -8.445 0.968 1.00 72.00 H new ATOM 0 HD11 LEU A 27 -8.318 -6.456 1.414 1.00 43.33 H new ATOM 0 HD12 LEU A 27 -8.018 -7.386 2.902 1.00 43.33 H new ATOM 0 HD13 LEU A 27 -7.101 -5.894 2.585 1.00 43.33 H new ATOM 0 HD21 LEU A 27 -6.548 -6.359 -0.364 1.00 24.22 H new ATOM 0 HD22 LEU A 27 -5.306 -5.882 0.818 1.00 24.22 H new ATOM 0 HD23 LEU A 27 -5.064 -7.326 -0.194 1.00 24.22 H new ATOM 387 N SER A 28 -6.152 -11.172 2.622 1.00 41.43 N ATOM 388 CA SER A 28 -6.915 -12.309 2.109 1.00 2.15 C ATOM 389 C SER A 28 -7.945 -12.817 3.132 1.00 41.24 C ATOM 390 O SER A 28 -8.984 -13.379 2.768 1.00 64.43 O ATOM 391 CB SER A 28 -5.933 -13.418 1.725 1.00 5.32 C ATOM 392 OG SER A 28 -5.305 -13.946 2.874 1.00 4.11 O ATOM 0 H SER A 28 -5.143 -11.321 2.630 1.00 41.43 H new ATOM 0 HA SER A 28 -7.480 -11.991 1.233 1.00 2.15 H new ATOM 0 HB2 SER A 28 -6.461 -14.211 1.196 1.00 5.32 H new ATOM 0 HB3 SER A 28 -5.181 -13.024 1.041 1.00 5.32 H new ATOM 0 HG SER A 28 -4.727 -13.263 3.274 1.00 4.11 H new ATOM 398 N SER A 29 -7.647 -12.639 4.420 1.00 51.23 N ATOM 399 CA SER A 29 -8.480 -13.035 5.541 1.00 51.00 C ATOM 400 C SER A 29 -9.410 -11.906 6.008 1.00 54.14 C ATOM 401 O SER A 29 -10.288 -12.150 6.834 1.00 20.13 O ATOM 402 CB SER A 29 -7.554 -13.425 6.692 1.00 51.42 C ATOM 403 OG SER A 29 -6.713 -14.519 6.357 1.00 10.51 O ATOM 0 H SER A 29 -6.778 -12.194 4.716 1.00 51.23 H new ATOM 0 HA SER A 29 -9.113 -13.865 5.227 1.00 51.00 H new ATOM 0 HB2 SER A 29 -6.940 -12.568 6.968 1.00 51.42 H new ATOM 0 HB3 SER A 29 -8.152 -13.683 7.566 1.00 51.42 H new ATOM 0 HG SER A 29 -6.137 -14.734 7.120 1.00 10.51 H new ATOM 409 N MET A 30 -9.221 -10.676 5.530 1.00 3.42 N ATOM 410 CA MET A 30 -10.013 -9.511 5.899 1.00 24.35 C ATOM 411 C MET A 30 -11.142 -9.281 4.892 1.00 42.52 C ATOM 412 O MET A 30 -10.978 -9.563 3.704 1.00 2.45 O ATOM 413 CB MET A 30 -9.087 -8.288 5.942 1.00 64.44 C ATOM 414 CG MET A 30 -8.159 -8.338 7.164 1.00 54.20 C ATOM 415 SD MET A 30 -8.894 -7.820 8.738 1.00 54.44 S ATOM 416 CE MET A 30 -9.266 -6.083 8.388 1.00 0.33 C ATOM 0 H MET A 30 -8.488 -10.460 4.854 1.00 3.42 H new ATOM 0 HA MET A 30 -10.466 -9.674 6.877 1.00 24.35 H new ATOM 0 HB2 MET A 30 -8.491 -8.248 5.030 1.00 64.44 H new ATOM 0 HB3 MET A 30 -9.684 -7.377 5.973 1.00 64.44 H new ATOM 0 HG2 MET A 30 -7.791 -9.358 7.275 1.00 54.20 H new ATOM 0 HG3 MET A 30 -7.293 -7.707 6.964 1.00 54.20 H new ATOM 0 HE1 MET A 30 -9.401 -5.544 9.326 1.00 0.33 H new ATOM 0 HE2 MET A 30 -8.442 -5.640 7.830 1.00 0.33 H new ATOM 0 HE3 MET A 30 -10.180 -6.018 7.798 1.00 0.33 H new ATOM 426 N PRO A 31 -12.275 -8.702 5.320 1.00 34.35 N ATOM 427 CA PRO A 31 -13.396 -8.439 4.437 1.00 13.21 C ATOM 428 C PRO A 31 -13.083 -7.185 3.620 1.00 41.35 C ATOM 429 O PRO A 31 -13.404 -6.065 4.030 1.00 14.35 O ATOM 430 CB PRO A 31 -14.606 -8.291 5.361 1.00 43.24 C ATOM 431 CG PRO A 31 -14.002 -7.727 6.649 1.00 30.11 C ATOM 432 CD PRO A 31 -12.592 -8.318 6.689 1.00 53.33 C ATOM 0 HA PRO A 31 -13.595 -9.227 3.711 1.00 13.21 H new ATOM 0 HB2 PRO A 31 -15.353 -7.619 4.940 1.00 43.24 H new ATOM 0 HB3 PRO A 31 -15.099 -9.248 5.534 1.00 43.24 H new ATOM 0 HG2 PRO A 31 -13.977 -6.637 6.634 1.00 30.11 H new ATOM 0 HG3 PRO A 31 -14.582 -8.021 7.524 1.00 30.11 H new ATOM 0 HD2 PRO A 31 -11.874 -7.589 7.065 1.00 53.33 H new ATOM 0 HD3 PRO A 31 -12.550 -9.180 7.355 1.00 53.33 H new ATOM 440 N GLY A 32 -12.423 -7.340 2.477 1.00 71.13 N ATOM 441 CA GLY A 32 -12.056 -6.229 1.610 1.00 24.40 C ATOM 442 C GLY A 32 -11.812 -6.707 0.191 1.00 24.50 C ATOM 443 O GLY A 32 -12.600 -6.402 -0.703 1.00 51.22 O ATOM 0 H GLY A 32 -12.126 -8.250 2.124 1.00 71.13 H new ATOM 0 HA2 GLY A 32 -12.849 -5.481 1.615 1.00 24.40 H new ATOM 0 HA3 GLY A 32 -11.159 -5.744 1.994 1.00 24.40 H new ATOM 447 N PHE A 33 -10.713 -7.427 -0.022 1.00 65.31 N ATOM 448 CA PHE A 33 -10.335 -7.986 -1.311 1.00 61.44 C ATOM 449 C PHE A 33 -10.135 -9.482 -1.062 1.00 62.23 C ATOM 450 O PHE A 33 -9.291 -9.840 -0.238 1.00 1.30 O ATOM 451 CB PHE A 33 -9.021 -7.370 -1.799 1.00 54.41 C ATOM 452 CG PHE A 33 -8.979 -5.896 -2.163 1.00 72.23 C ATOM 453 CD1 PHE A 33 -8.483 -4.947 -1.246 1.00 21.32 C ATOM 454 CD2 PHE A 33 -9.210 -5.498 -3.495 1.00 24.30 C ATOM 455 CE1 PHE A 33 -8.180 -3.651 -1.680 1.00 4.15 C ATOM 456 CE2 PHE A 33 -8.976 -4.174 -3.899 1.00 33.30 C ATOM 457 CZ PHE A 33 -8.450 -3.247 -2.992 1.00 4.53 C ATOM 0 H PHE A 33 -10.045 -7.642 0.719 1.00 65.31 H new ATOM 0 HA PHE A 33 -11.092 -7.787 -2.069 1.00 61.44 H new ATOM 0 HB2 PHE A 33 -8.273 -7.537 -1.023 1.00 54.41 H new ATOM 0 HB3 PHE A 33 -8.702 -7.933 -2.676 1.00 54.41 H new ATOM 0 HD1 PHE A 33 -8.337 -5.219 -0.211 1.00 21.32 H new ATOM 0 HD2 PHE A 33 -9.571 -6.220 -4.213 1.00 24.30 H new ATOM 0 HE1 PHE A 33 -7.730 -2.952 -0.991 1.00 4.15 H new ATOM 0 HE2 PHE A 33 -9.202 -3.871 -4.911 1.00 33.30 H new ATOM 0 HZ PHE A 33 -8.255 -2.231 -3.301 1.00 4.53 H new ATOM 467 N THR A 34 -10.931 -10.351 -1.688 1.00 61.45 N ATOM 468 CA THR A 34 -10.774 -11.793 -1.491 1.00 53.43 C ATOM 469 C THR A 34 -9.453 -12.261 -2.133 1.00 72.14 C ATOM 470 O THR A 34 -8.898 -11.558 -2.981 1.00 0.54 O ATOM 471 CB THR A 34 -12.008 -12.537 -2.032 1.00 72.04 C ATOM 472 OG1 THR A 34 -12.191 -12.320 -3.424 1.00 34.44 O ATOM 473 CG2 THR A 34 -13.300 -12.149 -1.304 1.00 34.44 C ATOM 0 H THR A 34 -11.681 -10.087 -2.327 1.00 61.45 H new ATOM 0 HA THR A 34 -10.713 -12.026 -0.428 1.00 53.43 H new ATOM 0 HB THR A 34 -11.806 -13.593 -1.850 1.00 72.04 H new ATOM 0 HG1 THR A 34 -12.983 -12.810 -3.730 1.00 34.44 H new ATOM 0 HG21 THR A 34 -14.137 -12.704 -1.727 1.00 34.44 H new ATOM 0 HG22 THR A 34 -13.206 -12.386 -0.244 1.00 34.44 H new ATOM 0 HG23 THR A 34 -13.477 -11.080 -1.422 1.00 34.44 H new ATOM 481 N ALA A 35 -8.969 -13.464 -1.802 1.00 1.11 N ATOM 482 CA ALA A 35 -7.720 -14.017 -2.329 1.00 42.23 C ATOM 483 C ALA A 35 -7.660 -14.009 -3.861 1.00 21.34 C ATOM 484 O ALA A 35 -6.601 -13.739 -4.416 1.00 23.52 O ATOM 485 CB ALA A 35 -7.487 -15.419 -1.775 1.00 23.32 C ATOM 0 H ALA A 35 -9.443 -14.089 -1.150 1.00 1.11 H new ATOM 0 HA ALA A 35 -6.915 -13.364 -1.993 1.00 42.23 H new ATOM 0 HB1 ALA A 35 -6.555 -15.818 -2.175 1.00 23.32 H new ATOM 0 HB2 ALA A 35 -7.426 -15.375 -0.688 1.00 23.32 H new ATOM 0 HB3 ALA A 35 -8.314 -16.067 -2.066 1.00 23.32 H new ATOM 491 N SER A 36 -8.775 -14.242 -4.561 1.00 13.51 N ATOM 492 CA SER A 36 -8.769 -14.225 -6.024 1.00 11.31 C ATOM 493 C SER A 36 -8.360 -12.828 -6.525 1.00 2.44 C ATOM 494 O SER A 36 -7.627 -12.701 -7.506 1.00 12.35 O ATOM 495 CB SER A 36 -10.128 -14.675 -6.569 1.00 45.25 C ATOM 496 OG SER A 36 -10.521 -15.901 -5.972 1.00 32.03 O ATOM 0 H SER A 36 -9.683 -14.442 -4.142 1.00 13.51 H new ATOM 0 HA SER A 36 -8.032 -14.935 -6.400 1.00 11.31 H new ATOM 0 HB2 SER A 36 -10.878 -13.910 -6.370 1.00 45.25 H new ATOM 0 HB3 SER A 36 -10.072 -14.792 -7.651 1.00 45.25 H new ATOM 0 HG SER A 36 -11.392 -16.174 -6.329 1.00 32.03 H new ATOM 502 N GLN A 37 -8.817 -11.763 -5.855 1.00 71.04 N ATOM 503 CA GLN A 37 -8.485 -10.386 -6.190 1.00 20.32 C ATOM 504 C GLN A 37 -6.997 -10.152 -5.880 1.00 0.33 C ATOM 505 O GLN A 37 -6.356 -9.316 -6.520 1.00 13.12 O ATOM 506 CB GLN A 37 -9.331 -9.399 -5.364 1.00 11.14 C ATOM 507 CG GLN A 37 -10.853 -9.579 -5.404 1.00 52.03 C ATOM 508 CD GLN A 37 -11.479 -8.886 -6.609 1.00 22.41 C ATOM 509 OE1 GLN A 37 -11.864 -7.722 -6.519 1.00 23.52 O ATOM 510 NE2 GLN A 37 -11.561 -9.578 -7.733 1.00 54.43 N ATOM 0 H GLN A 37 -9.439 -11.843 -5.051 1.00 71.04 H new ATOM 0 HA GLN A 37 -8.693 -10.219 -7.247 1.00 20.32 H new ATOM 0 HB2 GLN A 37 -9.010 -9.466 -4.325 1.00 11.14 H new ATOM 0 HB3 GLN A 37 -9.101 -8.389 -5.704 1.00 11.14 H new ATOM 0 HG2 GLN A 37 -11.092 -10.642 -5.433 1.00 52.03 H new ATOM 0 HG3 GLN A 37 -11.289 -9.179 -4.489 1.00 52.03 H new ATOM 0 HE21 GLN A 37 -11.229 -10.542 -7.764 1.00 54.43 H new ATOM 0 HE22 GLN A 37 -11.956 -9.148 -8.569 1.00 54.43 H new ATOM 519 N LEU A 38 -6.453 -10.810 -4.848 1.00 12.43 N ATOM 520 CA LEU A 38 -5.057 -10.659 -4.451 1.00 61.54 C ATOM 521 C LEU A 38 -4.084 -11.284 -5.444 1.00 31.24 C ATOM 522 O LEU A 38 -2.930 -10.847 -5.509 1.00 64.31 O ATOM 523 CB LEU A 38 -4.797 -11.271 -3.081 1.00 72.02 C ATOM 524 CG LEU A 38 -5.657 -10.709 -1.943 1.00 41.21 C ATOM 525 CD1 LEU A 38 -4.881 -10.894 -0.655 1.00 1.41 C ATOM 526 CD2 LEU A 38 -6.034 -9.233 -2.048 1.00 73.10 C ATOM 0 H LEU A 38 -6.976 -11.464 -4.266 1.00 12.43 H new ATOM 0 HA LEU A 38 -4.884 -9.583 -4.423 1.00 61.54 H new ATOM 0 HB2 LEU A 38 -4.963 -12.347 -3.144 1.00 72.02 H new ATOM 0 HB3 LEU A 38 -3.747 -11.124 -2.828 1.00 72.02 H new ATOM 0 HG LEU A 38 -6.600 -11.254 -1.988 1.00 41.21 H new ATOM 0 HD11 LEU A 38 -5.463 -10.504 0.180 1.00 1.41 H new ATOM 0 HD12 LEU A 38 -4.685 -11.955 -0.497 1.00 1.41 H new ATOM 0 HD13 LEU A 38 -3.935 -10.356 -0.720 1.00 1.41 H new ATOM 0 HD21 LEU A 38 -6.641 -8.951 -1.188 1.00 73.10 H new ATOM 0 HD22 LEU A 38 -5.128 -8.627 -2.067 1.00 73.10 H new ATOM 0 HD23 LEU A 38 -6.602 -9.067 -2.964 1.00 73.10 H new ATOM 538 N ASP A 39 -4.522 -12.272 -6.223 1.00 55.30 N ATOM 539 CA ASP A 39 -3.655 -12.907 -7.208 1.00 53.03 C ATOM 540 C ASP A 39 -3.201 -11.849 -8.215 1.00 70.22 C ATOM 541 O ASP A 39 -2.010 -11.698 -8.468 1.00 23.02 O ATOM 542 CB ASP A 39 -4.359 -14.064 -7.916 1.00 50.15 C ATOM 543 CG ASP A 39 -3.384 -14.695 -8.904 1.00 65.54 C ATOM 544 OD1 ASP A 39 -3.576 -14.525 -10.130 1.00 73.11 O ATOM 545 OD2 ASP A 39 -2.402 -15.330 -8.445 1.00 3.33 O ATOM 0 H ASP A 39 -5.470 -12.648 -6.190 1.00 55.30 H new ATOM 0 HA ASP A 39 -2.789 -13.330 -6.699 1.00 53.03 H new ATOM 0 HB2 ASP A 39 -4.694 -14.805 -7.190 1.00 50.15 H new ATOM 0 HB3 ASP A 39 -5.246 -13.705 -8.437 1.00 50.15 H new ATOM 550 N ASP A 40 -4.147 -11.049 -8.718 1.00 25.20 N ATOM 551 CA ASP A 40 -3.887 -9.979 -9.680 1.00 45.32 C ATOM 552 C ASP A 40 -2.909 -8.966 -9.093 1.00 22.04 C ATOM 553 O ASP A 40 -1.946 -8.554 -9.743 1.00 64.53 O ATOM 554 CB ASP A 40 -5.198 -9.283 -10.074 1.00 20.23 C ATOM 555 CG ASP A 40 -5.787 -9.954 -11.301 1.00 71.24 C ATOM 556 OD1 ASP A 40 -6.754 -10.733 -11.169 1.00 73.42 O ATOM 557 OD2 ASP A 40 -5.204 -9.764 -12.396 1.00 41.30 O ATOM 0 H ASP A 40 -5.131 -11.130 -8.462 1.00 25.20 H new ATOM 0 HA ASP A 40 -3.443 -10.417 -10.574 1.00 45.32 H new ATOM 0 HB2 ASP A 40 -5.907 -9.328 -9.248 1.00 20.23 H new ATOM 0 HB3 ASP A 40 -5.014 -8.228 -10.278 1.00 20.23 H new ATOM 562 N LEU A 41 -3.162 -8.579 -7.842 1.00 23.33 N ATOM 563 CA LEU A 41 -2.385 -7.647 -7.042 1.00 64.30 C ATOM 564 C LEU A 41 -0.947 -8.112 -6.872 1.00 22.42 C ATOM 565 O LEU A 41 -0.092 -7.264 -6.615 1.00 1.13 O ATOM 566 CB LEU A 41 -3.032 -7.511 -5.660 1.00 74.44 C ATOM 567 CG LEU A 41 -4.022 -6.360 -5.476 1.00 24.32 C ATOM 568 CD1 LEU A 41 -3.320 -5.074 -5.060 1.00 63.25 C ATOM 569 CD2 LEU A 41 -4.924 -6.081 -6.682 1.00 23.20 C ATOM 0 H LEU A 41 -3.970 -8.935 -7.332 1.00 23.33 H new ATOM 0 HA LEU A 41 -2.372 -6.688 -7.560 1.00 64.30 H new ATOM 0 HB2 LEU A 41 -3.548 -8.444 -5.433 1.00 74.44 H new ATOM 0 HB3 LEU A 41 -2.238 -7.398 -4.922 1.00 74.44 H new ATOM 0 HG LEU A 41 -4.677 -6.705 -4.676 1.00 24.32 H new ATOM 0 HD11 LEU A 41 -4.057 -4.280 -4.939 1.00 63.25 H new ATOM 0 HD12 LEU A 41 -2.800 -5.233 -4.116 1.00 63.25 H new ATOM 0 HD13 LEU A 41 -2.600 -4.788 -5.827 1.00 63.25 H new ATOM 0 HD21 LEU A 41 -5.590 -5.249 -6.454 1.00 23.20 H new ATOM 0 HD22 LEU A 41 -4.309 -5.828 -7.545 1.00 23.20 H new ATOM 0 HD23 LEU A 41 -5.516 -6.968 -6.906 1.00 23.20 H new ATOM 581 N SER A 42 -0.691 -9.421 -6.877 1.00 62.32 N ATOM 582 CA SER A 42 0.648 -9.974 -6.727 1.00 52.54 C ATOM 583 C SER A 42 1.520 -9.566 -7.924 1.00 42.13 C ATOM 584 O SER A 42 2.711 -9.294 -7.751 1.00 5.14 O ATOM 585 CB SER A 42 0.557 -11.490 -6.528 1.00 72.41 C ATOM 586 OG SER A 42 -0.297 -11.770 -5.420 1.00 42.14 O ATOM 0 H SER A 42 -1.416 -10.130 -6.986 1.00 62.32 H new ATOM 0 HA SER A 42 1.133 -9.568 -5.839 1.00 52.54 H new ATOM 0 HB2 SER A 42 0.169 -11.964 -7.430 1.00 72.41 H new ATOM 0 HB3 SER A 42 1.549 -11.905 -6.351 1.00 72.41 H new ATOM 0 HG SER A 42 -1.217 -11.517 -5.644 1.00 42.14 H new ATOM 592 N THR A 43 0.955 -9.461 -9.129 1.00 55.44 N ATOM 593 CA THR A 43 1.725 -9.046 -10.297 1.00 23.14 C ATOM 594 C THR A 43 1.975 -7.530 -10.195 1.00 55.03 C ATOM 595 O THR A 43 3.097 -7.064 -10.410 1.00 52.24 O ATOM 596 CB THR A 43 0.994 -9.445 -11.588 1.00 25.30 C ATOM 597 OG1 THR A 43 0.499 -10.769 -11.494 1.00 24.11 O ATOM 598 CG2 THR A 43 1.980 -9.401 -12.757 1.00 24.34 C ATOM 0 H THR A 43 -0.028 -9.657 -9.318 1.00 55.44 H new ATOM 0 HA THR A 43 2.690 -9.551 -10.327 1.00 23.14 H new ATOM 0 HB THR A 43 0.167 -8.752 -11.741 1.00 25.30 H new ATOM 0 HG1 THR A 43 0.035 -11.005 -12.325 1.00 24.11 H new ATOM 0 HG21 THR A 43 1.467 -9.683 -13.676 1.00 24.34 H new ATOM 0 HG22 THR A 43 2.379 -8.392 -12.859 1.00 24.34 H new ATOM 0 HG23 THR A 43 2.798 -10.097 -12.570 1.00 24.34 H new ATOM 606 N ILE A 44 0.953 -6.765 -9.783 1.00 13.42 N ATOM 607 CA ILE A 44 1.039 -5.312 -9.625 1.00 45.02 C ATOM 608 C ILE A 44 2.106 -4.991 -8.567 1.00 74.41 C ATOM 609 O ILE A 44 2.880 -4.048 -8.719 1.00 33.44 O ATOM 610 CB ILE A 44 -0.343 -4.710 -9.276 1.00 72.14 C ATOM 611 CG1 ILE A 44 -1.396 -5.070 -10.353 1.00 53.23 C ATOM 612 CG2 ILE A 44 -0.242 -3.181 -9.134 1.00 2.43 C ATOM 613 CD1 ILE A 44 -2.809 -4.566 -10.043 1.00 0.50 C ATOM 0 H ILE A 44 0.036 -7.145 -9.549 1.00 13.42 H new ATOM 0 HA ILE A 44 1.340 -4.852 -10.566 1.00 45.02 H new ATOM 0 HB ILE A 44 -0.663 -5.137 -8.325 1.00 72.14 H new ATOM 0 HG12 ILE A 44 -1.077 -4.657 -11.310 1.00 53.23 H new ATOM 0 HG13 ILE A 44 -1.426 -6.154 -10.468 1.00 53.23 H new ATOM 0 HG21 ILE A 44 -1.222 -2.773 -8.888 1.00 2.43 H new ATOM 0 HG22 ILE A 44 0.463 -2.935 -8.340 1.00 2.43 H new ATOM 0 HG23 ILE A 44 0.105 -2.751 -10.073 1.00 2.43 H new ATOM 0 HD11 ILE A 44 -3.485 -4.860 -10.846 1.00 0.50 H new ATOM 0 HD12 ILE A 44 -3.152 -4.999 -9.103 1.00 0.50 H new ATOM 0 HD13 ILE A 44 -2.797 -3.479 -9.958 1.00 0.50 H new ATOM 625 N ALA A 45 2.140 -5.768 -7.480 1.00 63.14 N ATOM 626 CA ALA A 45 3.089 -5.622 -6.389 1.00 24.43 C ATOM 627 C ALA A 45 4.507 -5.699 -6.952 1.00 44.51 C ATOM 628 O ALA A 45 5.297 -4.777 -6.753 1.00 1.42 O ATOM 629 CB ALA A 45 2.811 -6.714 -5.350 1.00 44.21 C ATOM 0 H ALA A 45 1.485 -6.537 -7.338 1.00 63.14 H new ATOM 0 HA ALA A 45 2.984 -4.656 -5.895 1.00 24.43 H new ATOM 0 HB1 ALA A 45 3.516 -6.618 -4.524 1.00 44.21 H new ATOM 0 HB2 ALA A 45 1.794 -6.607 -4.973 1.00 44.21 H new ATOM 0 HB3 ALA A 45 2.926 -7.694 -5.813 1.00 44.21 H new ATOM 635 N GLN A 46 4.804 -6.757 -7.706 1.00 61.30 N ATOM 636 CA GLN A 46 6.107 -6.963 -8.324 1.00 0.22 C ATOM 637 C GLN A 46 6.527 -5.765 -9.179 1.00 41.15 C ATOM 638 O GLN A 46 7.692 -5.377 -9.122 1.00 42.32 O ATOM 639 CB GLN A 46 6.071 -8.262 -9.138 1.00 15.23 C ATOM 640 CG GLN A 46 6.480 -9.466 -8.282 1.00 64.41 C ATOM 641 CD GLN A 46 7.841 -9.993 -8.712 1.00 55.31 C ATOM 642 OE1 GLN A 46 8.882 -9.527 -8.243 1.00 52.14 O ATOM 643 NE2 GLN A 46 7.843 -10.932 -9.641 1.00 11.55 N ATOM 0 H GLN A 46 4.136 -7.502 -7.905 1.00 61.30 H new ATOM 0 HA GLN A 46 6.862 -7.053 -7.543 1.00 0.22 H new ATOM 0 HB2 GLN A 46 5.067 -8.418 -9.534 1.00 15.23 H new ATOM 0 HB3 GLN A 46 6.741 -8.177 -9.993 1.00 15.23 H new ATOM 0 HG2 GLN A 46 6.511 -9.178 -7.231 1.00 64.41 H new ATOM 0 HG3 GLN A 46 5.733 -10.255 -8.374 1.00 64.41 H new ATOM 0 HE21 GLN A 46 6.960 -11.292 -10.004 1.00 11.55 H new ATOM 0 HE22 GLN A 46 8.727 -11.297 -9.995 1.00 11.55 H new ATOM 652 N SER A 47 5.607 -5.153 -9.934 1.00 63.34 N ATOM 653 CA SER A 47 5.909 -3.992 -10.770 1.00 73.50 C ATOM 654 C SER A 47 6.532 -2.874 -9.920 1.00 11.31 C ATOM 655 O SER A 47 7.508 -2.245 -10.339 1.00 51.12 O ATOM 656 CB SER A 47 4.615 -3.548 -11.469 1.00 75.12 C ATOM 657 OG SER A 47 4.799 -2.465 -12.364 1.00 54.12 O ATOM 0 H SER A 47 4.633 -5.451 -9.980 1.00 63.34 H new ATOM 0 HA SER A 47 6.643 -4.246 -11.535 1.00 73.50 H new ATOM 0 HB2 SER A 47 4.198 -4.394 -12.016 1.00 75.12 H new ATOM 0 HB3 SER A 47 3.882 -3.264 -10.714 1.00 75.12 H new ATOM 0 HG SER A 47 3.941 -2.232 -12.776 1.00 54.12 H new ATOM 663 N LEU A 48 5.980 -2.619 -8.728 1.00 60.14 N ATOM 664 CA LEU A 48 6.483 -1.589 -7.827 1.00 54.11 C ATOM 665 C LEU A 48 7.887 -1.972 -7.357 1.00 55.33 C ATOM 666 O LEU A 48 8.791 -1.135 -7.412 1.00 5.42 O ATOM 667 CB LEU A 48 5.537 -1.386 -6.627 1.00 35.43 C ATOM 668 CG LEU A 48 4.130 -0.878 -7.006 1.00 11.31 C ATOM 669 CD1 LEU A 48 3.177 -1.043 -5.819 1.00 22.11 C ATOM 670 CD2 LEU A 48 4.149 0.596 -7.436 1.00 55.34 C ATOM 0 H LEU A 48 5.172 -3.124 -8.366 1.00 60.14 H new ATOM 0 HA LEU A 48 6.530 -0.642 -8.364 1.00 54.11 H new ATOM 0 HB2 LEU A 48 5.438 -2.331 -6.094 1.00 35.43 H new ATOM 0 HB3 LEU A 48 5.993 -0.677 -5.936 1.00 35.43 H new ATOM 0 HG LEU A 48 3.786 -1.474 -7.851 1.00 11.31 H new ATOM 0 HD11 LEU A 48 2.186 -0.682 -6.095 1.00 22.11 H new ATOM 0 HD12 LEU A 48 3.116 -2.096 -5.545 1.00 22.11 H new ATOM 0 HD13 LEU A 48 3.549 -0.468 -4.971 1.00 22.11 H new ATOM 0 HD21 LEU A 48 3.138 0.913 -7.694 1.00 55.34 H new ATOM 0 HD22 LEU A 48 4.523 1.209 -6.616 1.00 55.34 H new ATOM 0 HD23 LEU A 48 4.799 0.714 -8.303 1.00 55.34 H new ATOM 682 N VAL A 49 8.097 -3.222 -6.928 1.00 74.10 N ATOM 683 CA VAL A 49 9.407 -3.664 -6.454 1.00 64.40 C ATOM 684 C VAL A 49 10.449 -3.577 -7.571 1.00 62.53 C ATOM 685 O VAL A 49 11.537 -3.070 -7.311 1.00 32.21 O ATOM 686 CB VAL A 49 9.368 -5.060 -5.799 1.00 11.24 C ATOM 687 CG1 VAL A 49 10.670 -5.309 -5.024 1.00 34.42 C ATOM 688 CG2 VAL A 49 8.231 -5.192 -4.785 1.00 15.22 C ATOM 0 H VAL A 49 7.375 -3.942 -6.901 1.00 74.10 H new ATOM 0 HA VAL A 49 9.709 -2.978 -5.663 1.00 64.40 H new ATOM 0 HB VAL A 49 9.227 -5.776 -6.609 1.00 11.24 H new ATOM 0 HG11 VAL A 49 10.636 -6.296 -4.564 1.00 34.42 H new ATOM 0 HG12 VAL A 49 11.517 -5.256 -5.709 1.00 34.42 H new ATOM 0 HG13 VAL A 49 10.783 -4.551 -4.249 1.00 34.42 H new ATOM 0 HG21 VAL A 49 8.245 -6.192 -4.351 1.00 15.22 H new ATOM 0 HG22 VAL A 49 8.360 -4.452 -3.995 1.00 15.22 H new ATOM 0 HG23 VAL A 49 7.277 -5.027 -5.285 1.00 15.22 H new ATOM 698 N GLN A 50 10.152 -4.003 -8.806 1.00 64.40 N ATOM 699 CA GLN A 50 11.120 -3.923 -9.902 1.00 13.55 C ATOM 700 C GLN A 50 11.529 -2.468 -10.145 1.00 1.52 C ATOM 701 O GLN A 50 12.689 -2.209 -10.482 1.00 73.21 O ATOM 702 CB GLN A 50 10.584 -4.555 -11.194 1.00 20.11 C ATOM 703 CG GLN A 50 10.954 -6.036 -11.340 1.00 64.04 C ATOM 704 CD GLN A 50 10.050 -6.971 -10.549 1.00 74.44 C ATOM 705 OE1 GLN A 50 8.997 -7.375 -11.046 1.00 21.53 O ATOM 706 NE2 GLN A 50 10.456 -7.396 -9.367 1.00 51.01 N ATOM 0 H GLN A 50 9.252 -4.405 -9.068 1.00 64.40 H new ATOM 0 HA GLN A 50 11.998 -4.495 -9.604 1.00 13.55 H new ATOM 0 HB2 GLN A 50 9.499 -4.454 -11.217 1.00 20.11 H new ATOM 0 HB3 GLN A 50 10.974 -4.004 -12.050 1.00 20.11 H new ATOM 0 HG2 GLN A 50 10.913 -6.310 -12.394 1.00 64.04 H new ATOM 0 HG3 GLN A 50 11.984 -6.178 -11.014 1.00 64.04 H new ATOM 0 HE21 GLN A 50 11.331 -7.049 -8.973 1.00 51.01 H new ATOM 0 HE22 GLN A 50 9.895 -8.071 -8.848 1.00 51.01 H new ATOM 715 N SER A 51 10.601 -1.522 -9.978 1.00 75.40 N ATOM 716 CA SER A 51 10.882 -0.110 -10.149 1.00 1.12 C ATOM 717 C SER A 51 11.874 0.302 -9.047 1.00 55.21 C ATOM 718 O SER A 51 12.894 0.930 -9.339 1.00 54.13 O ATOM 719 CB SER A 51 9.557 0.666 -10.103 1.00 63.23 C ATOM 720 OG SER A 51 9.728 2.006 -10.522 1.00 20.33 O ATOM 0 H SER A 51 9.635 -1.723 -9.720 1.00 75.40 H new ATOM 0 HA SER A 51 11.341 0.114 -11.112 1.00 1.12 H new ATOM 0 HB2 SER A 51 8.823 0.174 -10.742 1.00 63.23 H new ATOM 0 HB3 SER A 51 9.159 0.649 -9.089 1.00 63.23 H new ATOM 0 HG SER A 51 8.867 2.473 -10.483 1.00 20.33 H new ATOM 726 N ILE A 52 11.597 -0.061 -7.785 1.00 23.13 N ATOM 727 CA ILE A 52 12.460 0.255 -6.646 1.00 20.25 C ATOM 728 C ILE A 52 13.845 -0.349 -6.899 1.00 73.10 C ATOM 729 O ILE A 52 14.835 0.364 -6.765 1.00 10.44 O ATOM 730 CB ILE A 52 11.836 -0.214 -5.304 1.00 14.32 C ATOM 731 CG1 ILE A 52 10.517 0.544 -5.021 1.00 63.43 C ATOM 732 CG2 ILE A 52 12.807 0.017 -4.125 1.00 73.12 C ATOM 733 CD1 ILE A 52 9.652 -0.122 -3.945 1.00 14.13 C ATOM 0 H ILE A 52 10.761 -0.586 -7.529 1.00 23.13 H new ATOM 0 HA ILE A 52 12.564 1.336 -6.552 1.00 20.25 H new ATOM 0 HB ILE A 52 11.634 -1.281 -5.397 1.00 14.32 H new ATOM 0 HG12 ILE A 52 10.751 1.562 -4.710 1.00 63.43 H new ATOM 0 HG13 ILE A 52 9.943 0.617 -5.945 1.00 63.43 H new ATOM 0 HG21 ILE A 52 12.342 -0.321 -3.199 1.00 73.12 H new ATOM 0 HG22 ILE A 52 13.726 -0.544 -4.295 1.00 73.12 H new ATOM 0 HG23 ILE A 52 13.039 1.079 -4.048 1.00 73.12 H new ATOM 0 HD11 ILE A 52 8.743 0.461 -3.796 1.00 14.13 H new ATOM 0 HD12 ILE A 52 9.388 -1.131 -4.263 1.00 14.13 H new ATOM 0 HD13 ILE A 52 10.209 -0.171 -3.009 1.00 14.13 H new ATOM 745 N GLN A 53 13.933 -1.620 -7.307 1.00 75.45 N ATOM 746 CA GLN A 53 15.181 -2.327 -7.588 1.00 22.35 C ATOM 747 C GLN A 53 16.074 -1.551 -8.564 1.00 50.42 C ATOM 748 O GLN A 53 17.299 -1.650 -8.467 1.00 2.25 O ATOM 749 CB GLN A 53 14.889 -3.726 -8.157 1.00 5.25 C ATOM 750 CG GLN A 53 14.417 -4.767 -7.132 1.00 34.05 C ATOM 751 CD GLN A 53 14.031 -6.065 -7.844 1.00 70.13 C ATOM 752 OE1 GLN A 53 12.860 -6.367 -8.060 1.00 23.32 O ATOM 753 NE2 GLN A 53 15.004 -6.845 -8.282 1.00 74.41 N ATOM 0 H GLN A 53 13.108 -2.201 -7.455 1.00 75.45 H new ATOM 0 HA GLN A 53 15.717 -2.420 -6.643 1.00 22.35 H new ATOM 0 HB2 GLN A 53 14.128 -3.633 -8.932 1.00 5.25 H new ATOM 0 HB3 GLN A 53 15.792 -4.099 -8.640 1.00 5.25 H new ATOM 0 HG2 GLN A 53 15.208 -4.961 -6.408 1.00 34.05 H new ATOM 0 HG3 GLN A 53 13.563 -4.380 -6.575 1.00 34.05 H new ATOM 0 HE21 GLN A 53 15.977 -6.596 -8.104 1.00 74.41 H new ATOM 0 HE22 GLN A 53 14.782 -7.696 -8.798 1.00 74.41 H new ATOM 762 N SER A 54 15.508 -0.790 -9.508 1.00 5.12 N ATOM 763 CA SER A 54 16.306 -0.021 -10.451 1.00 32.01 C ATOM 764 C SER A 54 17.099 1.067 -9.722 1.00 51.42 C ATOM 765 O SER A 54 18.315 1.174 -9.893 1.00 71.32 O ATOM 766 CB SER A 54 15.402 0.633 -11.501 1.00 42.33 C ATOM 767 OG SER A 54 14.613 -0.315 -12.191 1.00 62.35 O ATOM 0 H SER A 54 14.500 -0.695 -9.634 1.00 5.12 H new ATOM 0 HA SER A 54 17.000 -0.703 -10.942 1.00 32.01 H new ATOM 0 HB2 SER A 54 14.751 1.360 -11.015 1.00 42.33 H new ATOM 0 HB3 SER A 54 16.016 1.181 -12.216 1.00 42.33 H new ATOM 0 HG SER A 54 14.008 -0.758 -11.560 1.00 62.35 H new ATOM 773 N LEU A 55 16.422 1.900 -8.930 1.00 73.45 N ATOM 774 CA LEU A 55 17.064 2.991 -8.210 1.00 33.25 C ATOM 775 C LEU A 55 17.823 2.501 -6.981 1.00 45.41 C ATOM 776 O LEU A 55 18.882 3.053 -6.676 1.00 54.55 O ATOM 777 CB LEU A 55 16.041 4.077 -7.850 1.00 50.04 C ATOM 778 CG LEU A 55 15.510 4.932 -9.024 1.00 21.45 C ATOM 779 CD1 LEU A 55 16.631 5.615 -9.822 1.00 34.32 C ATOM 780 CD2 LEU A 55 14.623 4.153 -10.001 1.00 15.24 C ATOM 0 H LEU A 55 15.416 1.834 -8.773 1.00 73.45 H new ATOM 0 HA LEU A 55 17.806 3.433 -8.875 1.00 33.25 H new ATOM 0 HB2 LEU A 55 15.191 3.599 -7.363 1.00 50.04 H new ATOM 0 HB3 LEU A 55 16.494 4.745 -7.117 1.00 50.04 H new ATOM 0 HG LEU A 55 14.901 5.692 -8.534 1.00 21.45 H new ATOM 0 HD11 LEU A 55 16.196 6.200 -10.632 1.00 34.32 H new ATOM 0 HD12 LEU A 55 17.198 6.273 -9.163 1.00 34.32 H new ATOM 0 HD13 LEU A 55 17.295 4.857 -10.238 1.00 34.32 H new ATOM 0 HD21 LEU A 55 14.288 4.818 -10.797 1.00 15.24 H new ATOM 0 HD22 LEU A 55 15.192 3.329 -10.431 1.00 15.24 H new ATOM 0 HD23 LEU A 55 13.757 3.758 -9.470 1.00 15.24 H new ATOM 792 N ALA A 56 17.340 1.456 -6.305 1.00 13.25 N ATOM 793 CA ALA A 56 17.969 0.875 -5.123 1.00 63.13 C ATOM 794 C ALA A 56 19.381 0.397 -5.463 1.00 41.41 C ATOM 795 O ALA A 56 20.273 0.500 -4.623 1.00 33.41 O ATOM 796 CB ALA A 56 17.121 -0.273 -4.573 1.00 25.22 C ATOM 0 H ALA A 56 16.479 0.980 -6.574 1.00 13.25 H new ATOM 0 HA ALA A 56 18.040 1.640 -4.350 1.00 63.13 H new ATOM 0 HB1 ALA A 56 17.606 -0.694 -3.692 1.00 25.22 H new ATOM 0 HB2 ALA A 56 16.134 0.102 -4.300 1.00 25.22 H new ATOM 0 HB3 ALA A 56 17.018 -1.046 -5.334 1.00 25.22 H new ATOM 802 N ALA A 57 19.609 -0.046 -6.707 1.00 54.21 N ATOM 803 CA ALA A 57 20.906 -0.505 -7.191 1.00 41.03 C ATOM 804 C ALA A 57 21.974 0.596 -7.072 1.00 71.22 C ATOM 805 O ALA A 57 23.164 0.293 -7.087 1.00 42.33 O ATOM 806 CB ALA A 57 20.758 -0.935 -8.655 1.00 51.11 C ATOM 0 H ALA A 57 18.877 -0.094 -7.416 1.00 54.21 H new ATOM 0 HA ALA A 57 21.233 -1.346 -6.579 1.00 41.03 H new ATOM 0 HB1 ALA A 57 21.721 -1.281 -9.032 1.00 51.11 H new ATOM 0 HB2 ALA A 57 20.029 -1.742 -8.725 1.00 51.11 H new ATOM 0 HB3 ALA A 57 20.419 -0.087 -9.251 1.00 51.11 H new ATOM 812 N GLN A 58 21.554 1.864 -7.003 1.00 34.42 N ATOM 813 CA GLN A 58 22.398 3.044 -6.871 1.00 41.11 C ATOM 814 C GLN A 58 22.160 3.757 -5.529 1.00 4.20 C ATOM 815 O GLN A 58 22.971 4.589 -5.134 1.00 14.03 O ATOM 816 CB GLN A 58 22.105 4.004 -8.033 1.00 42.15 C ATOM 817 CG GLN A 58 22.303 3.389 -9.431 1.00 13.20 C ATOM 818 CD GLN A 58 21.892 4.399 -10.494 1.00 61.44 C ATOM 819 OE1 GLN A 58 22.728 5.096 -11.067 1.00 42.42 O ATOM 820 NE2 GLN A 58 20.600 4.548 -10.733 1.00 61.11 N ATOM 0 H GLN A 58 20.563 2.101 -7.040 1.00 34.42 H new ATOM 0 HA GLN A 58 23.441 2.730 -6.899 1.00 41.11 H new ATOM 0 HB2 GLN A 58 21.077 4.357 -7.947 1.00 42.15 H new ATOM 0 HB3 GLN A 58 22.751 4.877 -7.939 1.00 42.15 H new ATOM 0 HG2 GLN A 58 23.346 3.103 -9.570 1.00 13.20 H new ATOM 0 HG3 GLN A 58 21.708 2.481 -9.528 1.00 13.20 H new ATOM 0 HE21 GLN A 58 19.921 3.961 -10.249 1.00 61.11 H new ATOM 0 HE22 GLN A 58 20.283 5.250 -11.402 1.00 61.11 H new ATOM 829 N GLY A 59 21.048 3.473 -4.840 1.00 60.12 N ATOM 830 CA GLY A 59 20.696 4.080 -3.563 1.00 31.34 C ATOM 831 C GLY A 59 20.259 5.537 -3.699 1.00 64.24 C ATOM 832 O GLY A 59 20.426 6.310 -2.758 1.00 31.15 O ATOM 0 H GLY A 59 20.356 2.799 -5.168 1.00 60.12 H new ATOM 0 HA2 GLY A 59 19.892 3.506 -3.103 1.00 31.34 H new ATOM 0 HA3 GLY A 59 21.552 4.024 -2.891 1.00 31.34 H new ATOM 836 N ARG A 60 19.729 5.948 -4.862 1.00 25.50 N ATOM 837 CA ARG A 60 19.304 7.331 -5.088 1.00 3.34 C ATOM 838 C ARG A 60 17.885 7.368 -5.628 1.00 62.34 C ATOM 839 O ARG A 60 17.665 7.066 -6.802 1.00 61.31 O ATOM 840 CB ARG A 60 20.311 8.078 -5.985 1.00 12.22 C ATOM 841 CG ARG A 60 21.773 7.896 -5.533 1.00 51.52 C ATOM 842 CD ARG A 60 22.687 8.992 -6.079 1.00 72.12 C ATOM 843 NE ARG A 60 22.552 10.240 -5.310 1.00 53.40 N ATOM 844 CZ ARG A 60 23.205 11.378 -5.575 1.00 2.33 C ATOM 845 NH1 ARG A 60 23.917 11.500 -6.690 1.00 34.25 N ATOM 846 NH2 ARG A 60 23.148 12.393 -4.718 1.00 15.43 N ATOM 0 H ARG A 60 19.586 5.334 -5.664 1.00 25.50 H new ATOM 0 HA ARG A 60 19.293 7.861 -4.135 1.00 3.34 H new ATOM 0 HB2 ARG A 60 20.207 7.724 -7.011 1.00 12.22 H new ATOM 0 HB3 ARG A 60 20.067 9.140 -5.988 1.00 12.22 H new ATOM 0 HG2 ARG A 60 21.818 7.897 -4.444 1.00 51.52 H new ATOM 0 HG3 ARG A 60 22.136 6.924 -5.866 1.00 51.52 H new ATOM 0 HD2 ARG A 60 23.723 8.653 -6.046 1.00 72.12 H new ATOM 0 HD3 ARG A 60 22.446 9.180 -7.125 1.00 72.12 H new ATOM 0 HE ARG A 60 21.913 10.237 -4.515 1.00 53.40 H new ATOM 0 HH11 ARG A 60 23.968 10.724 -7.350 1.00 34.25 H new ATOM 0 HH12 ARG A 60 24.412 12.370 -6.886 1.00 34.25 H new ATOM 0 HH21 ARG A 60 22.606 12.305 -3.858 1.00 15.43 H new ATOM 0 HH22 ARG A 60 23.646 13.260 -4.920 1.00 15.43 H new ATOM 860 N THR A 61 16.927 7.783 -4.812 1.00 13.44 N ATOM 861 CA THR A 61 15.512 7.867 -5.148 1.00 23.33 C ATOM 862 C THR A 61 14.965 9.264 -4.862 1.00 73.42 C ATOM 863 O THR A 61 14.887 9.636 -3.691 1.00 51.45 O ATOM 864 CB THR A 61 14.736 6.829 -4.307 1.00 4.32 C ATOM 865 OG1 THR A 61 15.265 6.730 -2.995 1.00 4.22 O ATOM 866 CG2 THR A 61 14.771 5.430 -4.915 1.00 22.12 C ATOM 0 H THR A 61 17.122 8.083 -3.857 1.00 13.44 H new ATOM 0 HA THR A 61 15.389 7.662 -6.212 1.00 23.33 H new ATOM 0 HB THR A 61 13.708 7.189 -4.287 1.00 4.32 H new ATOM 0 HG1 THR A 61 15.386 7.628 -2.622 1.00 4.22 H new ATOM 0 HG21 THR A 61 14.210 4.744 -4.281 1.00 22.12 H new ATOM 0 HG22 THR A 61 14.324 5.454 -5.909 1.00 22.12 H new ATOM 0 HG23 THR A 61 15.804 5.092 -4.990 1.00 22.12 H new ATOM 874 N SER A 62 14.590 10.030 -5.896 1.00 52.14 N ATOM 875 CA SER A 62 14.008 11.365 -5.727 1.00 40.22 C ATOM 876 C SER A 62 12.792 11.198 -4.801 1.00 44.11 C ATOM 877 O SER A 62 12.061 10.217 -4.960 1.00 55.21 O ATOM 878 CB SER A 62 13.603 11.932 -7.099 1.00 63.14 C ATOM 879 OG SER A 62 12.599 12.928 -7.051 1.00 31.20 O ATOM 0 H SER A 62 14.682 9.741 -6.870 1.00 52.14 H new ATOM 0 HA SER A 62 14.718 12.068 -5.290 1.00 40.22 H new ATOM 0 HB2 SER A 62 14.487 12.349 -7.581 1.00 63.14 H new ATOM 0 HB3 SER A 62 13.254 11.113 -7.728 1.00 63.14 H new ATOM 0 HG SER A 62 12.400 13.236 -7.960 1.00 31.20 H new ATOM 885 N PRO A 63 12.548 12.116 -3.853 1.00 72.30 N ATOM 886 CA PRO A 63 11.426 12.002 -2.930 1.00 24.22 C ATOM 887 C PRO A 63 10.105 12.096 -3.683 1.00 43.14 C ATOM 888 O PRO A 63 9.209 11.292 -3.453 1.00 0.52 O ATOM 889 CB PRO A 63 11.617 13.122 -1.903 1.00 12.23 C ATOM 890 CG PRO A 63 12.462 14.152 -2.650 1.00 3.40 C ATOM 891 CD PRO A 63 13.321 13.314 -3.588 1.00 73.30 C ATOM 0 HA PRO A 63 11.396 11.037 -2.424 1.00 24.22 H new ATOM 0 HB2 PRO A 63 10.663 13.541 -1.584 1.00 12.23 H new ATOM 0 HB3 PRO A 63 12.122 12.763 -1.007 1.00 12.23 H new ATOM 0 HG2 PRO A 63 11.838 14.855 -3.202 1.00 3.40 H new ATOM 0 HG3 PRO A 63 13.074 14.738 -1.965 1.00 3.40 H new ATOM 0 HD2 PRO A 63 13.537 13.854 -4.510 1.00 73.30 H new ATOM 0 HD3 PRO A 63 14.279 13.070 -3.130 1.00 73.30 H new ATOM 899 N ASN A 64 10.020 13.026 -4.639 1.00 64.31 N ATOM 900 CA ASN A 64 8.824 13.241 -5.442 1.00 71.13 C ATOM 901 C ASN A 64 8.458 11.957 -6.185 1.00 13.22 C ATOM 902 O ASN A 64 7.315 11.507 -6.191 1.00 42.10 O ATOM 903 CB ASN A 64 9.033 14.409 -6.418 1.00 63.30 C ATOM 904 CG ASN A 64 9.380 15.705 -5.709 1.00 11.31 C ATOM 905 OD1 ASN A 64 8.744 16.089 -4.739 1.00 42.01 O ATOM 906 ND2 ASN A 64 10.429 16.392 -6.128 1.00 21.31 N ATOM 0 H ASN A 64 10.789 13.653 -4.875 1.00 64.31 H new ATOM 0 HA ASN A 64 7.996 13.504 -4.784 1.00 71.13 H new ATOM 0 HB2 ASN A 64 9.831 14.156 -7.116 1.00 63.30 H new ATOM 0 HB3 ASN A 64 8.127 14.552 -7.007 1.00 63.30 H new ATOM 0 HD21 ASN A 64 10.708 17.244 -5.641 1.00 21.31 H new ATOM 0 HD22 ASN A 64 10.959 16.070 -6.938 1.00 21.31 H new ATOM 913 N LYS A 65 9.462 11.346 -6.812 1.00 52.42 N ATOM 914 CA LYS A 65 9.308 10.107 -7.556 1.00 74.34 C ATOM 915 C LYS A 65 8.916 8.966 -6.626 1.00 60.44 C ATOM 916 O LYS A 65 8.037 8.174 -6.953 1.00 42.24 O ATOM 917 CB LYS A 65 10.629 9.832 -8.272 1.00 14.41 C ATOM 918 CG LYS A 65 10.709 8.416 -8.840 1.00 1.00 C ATOM 919 CD LYS A 65 11.876 8.313 -9.825 1.00 73.54 C ATOM 920 CE LYS A 65 13.223 8.269 -9.106 1.00 31.33 C ATOM 921 NZ LYS A 65 14.333 8.304 -10.073 1.00 54.41 N ATOM 0 H LYS A 65 10.416 11.706 -6.815 1.00 52.42 H new ATOM 0 HA LYS A 65 8.507 10.193 -8.290 1.00 74.34 H new ATOM 0 HB2 LYS A 65 10.755 10.551 -9.081 1.00 14.41 H new ATOM 0 HB3 LYS A 65 11.454 9.987 -7.576 1.00 14.41 H new ATOM 0 HG2 LYS A 65 10.841 7.698 -8.031 1.00 1.00 H new ATOM 0 HG3 LYS A 65 9.775 8.163 -9.342 1.00 1.00 H new ATOM 0 HD2 LYS A 65 11.760 7.416 -10.434 1.00 73.54 H new ATOM 0 HD3 LYS A 65 11.854 9.165 -10.505 1.00 73.54 H new ATOM 0 HE2 LYS A 65 13.303 9.114 -8.423 1.00 31.33 H new ATOM 0 HE3 LYS A 65 13.289 7.364 -8.502 1.00 31.33 H new ATOM 0 HZ1 LYS A 65 15.239 8.273 -9.563 1.00 54.41 H new ATOM 0 HZ2 LYS A 65 14.266 7.484 -10.709 1.00 54.41 H new ATOM 0 HZ3 LYS A 65 14.280 9.180 -10.631 1.00 54.41 H new ATOM 935 N LEU A 66 9.576 8.863 -5.476 1.00 65.34 N ATOM 936 CA LEU A 66 9.308 7.821 -4.501 1.00 70.44 C ATOM 937 C LEU A 66 7.864 7.938 -4.002 1.00 73.20 C ATOM 938 O LEU A 66 7.199 6.915 -3.838 1.00 4.22 O ATOM 939 CB LEU A 66 10.376 7.915 -3.408 1.00 54.13 C ATOM 940 CG LEU A 66 10.395 6.712 -2.450 1.00 55.04 C ATOM 941 CD1 LEU A 66 11.099 5.526 -3.120 1.00 61.22 C ATOM 942 CD2 LEU A 66 11.151 7.070 -1.167 1.00 55.41 C ATOM 0 H LEU A 66 10.316 9.507 -5.197 1.00 65.34 H new ATOM 0 HA LEU A 66 9.378 6.822 -4.931 1.00 70.44 H new ATOM 0 HB2 LEU A 66 11.355 8.008 -3.878 1.00 54.13 H new ATOM 0 HB3 LEU A 66 10.211 8.825 -2.830 1.00 54.13 H new ATOM 0 HG LEU A 66 9.366 6.447 -2.207 1.00 55.04 H new ATOM 0 HD11 LEU A 66 11.110 4.676 -2.437 1.00 61.22 H new ATOM 0 HD12 LEU A 66 10.565 5.253 -4.030 1.00 61.22 H new ATOM 0 HD13 LEU A 66 12.123 5.804 -3.369 1.00 61.22 H new ATOM 0 HD21 LEU A 66 11.158 6.210 -0.497 1.00 55.41 H new ATOM 0 HD22 LEU A 66 12.176 7.346 -1.414 1.00 55.41 H new ATOM 0 HD23 LEU A 66 10.658 7.909 -0.676 1.00 55.41 H new ATOM 954 N GLN A 67 7.345 9.156 -3.813 1.00 4.12 N ATOM 955 CA GLN A 67 5.974 9.395 -3.372 1.00 13.01 C ATOM 956 C GLN A 67 4.994 8.891 -4.435 1.00 62.25 C ATOM 957 O GLN A 67 3.912 8.411 -4.095 1.00 20.11 O ATOM 958 CB GLN A 67 5.781 10.890 -3.066 1.00 44.21 C ATOM 959 CG GLN A 67 4.358 11.305 -2.651 1.00 12.20 C ATOM 960 CD GLN A 67 3.772 10.504 -1.488 1.00 65.02 C ATOM 961 OE1 GLN A 67 4.488 9.941 -0.656 1.00 24.13 O ATOM 962 NE2 GLN A 67 2.454 10.452 -1.395 1.00 25.43 N ATOM 0 H GLN A 67 7.876 10.013 -3.965 1.00 4.12 H new ATOM 0 HA GLN A 67 5.774 8.843 -2.454 1.00 13.01 H new ATOM 0 HB2 GLN A 67 6.469 11.171 -2.269 1.00 44.21 H new ATOM 0 HB3 GLN A 67 6.064 11.463 -3.949 1.00 44.21 H new ATOM 0 HG2 GLN A 67 4.367 12.361 -2.379 1.00 12.20 H new ATOM 0 HG3 GLN A 67 3.699 11.203 -3.513 1.00 12.20 H new ATOM 0 HE21 GLN A 67 1.875 10.922 -2.090 1.00 25.43 H new ATOM 0 HE22 GLN A 67 2.017 9.942 -0.628 1.00 25.43 H new ATOM 971 N ALA A 68 5.362 8.949 -5.720 1.00 74.22 N ATOM 972 CA ALA A 68 4.497 8.472 -6.787 1.00 21.43 C ATOM 973 C ALA A 68 4.232 6.971 -6.656 1.00 51.33 C ATOM 974 O ALA A 68 3.233 6.505 -7.193 1.00 31.34 O ATOM 975 CB ALA A 68 5.063 8.832 -8.159 1.00 4.52 C ATOM 0 H ALA A 68 6.256 9.323 -6.039 1.00 74.22 H new ATOM 0 HA ALA A 68 3.536 8.978 -6.691 1.00 21.43 H new ATOM 0 HB1 ALA A 68 4.395 8.462 -8.937 1.00 4.52 H new ATOM 0 HB2 ALA A 68 5.153 9.915 -8.243 1.00 4.52 H new ATOM 0 HB3 ALA A 68 6.046 8.376 -8.278 1.00 4.52 H new ATOM 981 N LEU A 69 5.095 6.200 -5.983 1.00 4.35 N ATOM 982 CA LEU A 69 4.884 4.764 -5.802 1.00 24.23 C ATOM 983 C LEU A 69 3.715 4.544 -4.841 1.00 5.44 C ATOM 984 O LEU A 69 2.895 3.660 -5.072 1.00 51.23 O ATOM 985 CB LEU A 69 6.138 4.071 -5.255 1.00 5.03 C ATOM 986 CG LEU A 69 7.399 4.237 -6.118 1.00 3.34 C ATOM 987 CD1 LEU A 69 8.567 3.554 -5.406 1.00 15.11 C ATOM 988 CD2 LEU A 69 7.227 3.637 -7.520 1.00 62.44 C ATOM 0 H LEU A 69 5.950 6.552 -5.553 1.00 4.35 H new ATOM 0 HA LEU A 69 4.661 4.328 -6.776 1.00 24.23 H new ATOM 0 HB2 LEU A 69 6.344 4.460 -4.258 1.00 5.03 H new ATOM 0 HB3 LEU A 69 5.928 3.007 -5.145 1.00 5.03 H new ATOM 0 HG LEU A 69 7.589 5.303 -6.246 1.00 3.34 H new ATOM 0 HD11 LEU A 69 9.471 3.662 -6.005 1.00 15.11 H new ATOM 0 HD12 LEU A 69 8.720 4.017 -4.431 1.00 15.11 H new ATOM 0 HD13 LEU A 69 8.344 2.495 -5.274 1.00 15.11 H new ATOM 0 HD21 LEU A 69 8.144 3.779 -8.092 1.00 62.44 H new ATOM 0 HD22 LEU A 69 7.013 2.571 -7.436 1.00 62.44 H new ATOM 0 HD23 LEU A 69 6.401 4.134 -8.030 1.00 62.44 H new ATOM 1000 N ASN A 70 3.640 5.355 -3.780 1.00 30.14 N ATOM 1001 CA ASN A 70 2.584 5.312 -2.771 1.00 32.35 C ATOM 1002 C ASN A 70 1.256 5.608 -3.473 1.00 65.41 C ATOM 1003 O ASN A 70 0.308 4.827 -3.383 1.00 12.11 O ATOM 1004 CB ASN A 70 2.927 6.322 -1.661 1.00 61.45 C ATOM 1005 CG ASN A 70 1.936 6.356 -0.509 1.00 24.34 C ATOM 1006 OD1 ASN A 70 0.742 6.538 -0.689 1.00 50.23 O ATOM 1007 ND2 ASN A 70 2.418 6.301 0.718 1.00 15.04 N ATOM 0 H ASN A 70 4.334 6.080 -3.597 1.00 30.14 H new ATOM 0 HA ASN A 70 2.497 4.335 -2.295 1.00 32.35 H new ATOM 0 HB2 ASN A 70 3.915 6.086 -1.266 1.00 61.45 H new ATOM 0 HB3 ASN A 70 2.988 7.318 -2.100 1.00 61.45 H new ATOM 0 HD21 ASN A 70 1.793 6.411 1.517 1.00 15.04 H new ATOM 0 HD22 ASN A 70 3.415 6.149 0.868 1.00 15.04 H new ATOM 1014 N MET A 71 1.224 6.700 -4.246 1.00 31.23 N ATOM 1015 CA MET A 71 0.046 7.113 -5.003 1.00 65.24 C ATOM 1016 C MET A 71 -0.333 6.022 -6.013 1.00 21.34 C ATOM 1017 O MET A 71 -1.505 5.662 -6.121 1.00 35.10 O ATOM 1018 CB MET A 71 0.306 8.458 -5.703 1.00 12.24 C ATOM 1019 CG MET A 71 0.593 9.585 -4.700 1.00 61.24 C ATOM 1020 SD MET A 71 0.681 11.259 -5.401 1.00 63.12 S ATOM 1021 CE MET A 71 2.204 11.200 -6.371 1.00 53.41 C ATOM 0 H MET A 71 2.023 7.324 -4.362 1.00 31.23 H new ATOM 0 HA MET A 71 -0.792 7.251 -4.319 1.00 65.24 H new ATOM 0 HB2 MET A 71 1.151 8.355 -6.383 1.00 12.24 H new ATOM 0 HB3 MET A 71 -0.560 8.724 -6.309 1.00 12.24 H new ATOM 0 HG2 MET A 71 -0.183 9.572 -3.935 1.00 61.24 H new ATOM 0 HG3 MET A 71 1.537 9.370 -4.200 1.00 61.24 H new ATOM 0 HE1 MET A 71 2.454 12.203 -6.718 1.00 53.41 H new ATOM 0 HE2 MET A 71 3.015 10.818 -5.752 1.00 53.41 H new ATOM 0 HE3 MET A 71 2.063 10.544 -7.230 1.00 53.41 H new ATOM 1031 N ALA A 72 0.646 5.457 -6.728 1.00 53.43 N ATOM 1032 CA ALA A 72 0.430 4.408 -7.714 1.00 23.15 C ATOM 1033 C ALA A 72 -0.237 3.190 -7.081 1.00 5.40 C ATOM 1034 O ALA A 72 -1.230 2.700 -7.614 1.00 0.21 O ATOM 1035 CB ALA A 72 1.755 4.010 -8.374 1.00 21.24 C ATOM 0 H ALA A 72 1.625 5.725 -6.631 1.00 53.43 H new ATOM 0 HA ALA A 72 -0.238 4.799 -8.481 1.00 23.15 H new ATOM 0 HB1 ALA A 72 1.574 3.225 -9.108 1.00 21.24 H new ATOM 0 HB2 ALA A 72 2.189 4.878 -8.870 1.00 21.24 H new ATOM 0 HB3 ALA A 72 2.445 3.644 -7.614 1.00 21.24 H new ATOM 1041 N PHE A 73 0.304 2.717 -5.960 1.00 60.02 N ATOM 1042 CA PHE A 73 -0.185 1.573 -5.208 1.00 22.31 C ATOM 1043 C PHE A 73 -1.639 1.782 -4.791 1.00 72.30 C ATOM 1044 O PHE A 73 -2.490 0.940 -5.075 1.00 51.12 O ATOM 1045 CB PHE A 73 0.738 1.393 -4.000 1.00 63.10 C ATOM 1046 CG PHE A 73 0.316 0.350 -2.988 1.00 3.33 C ATOM 1047 CD1 PHE A 73 0.062 0.731 -1.655 1.00 43.12 C ATOM 1048 CD2 PHE A 73 0.241 -1.005 -3.357 1.00 4.32 C ATOM 1049 CE1 PHE A 73 -0.242 -0.243 -0.691 1.00 72.31 C ATOM 1050 CE2 PHE A 73 -0.076 -1.977 -2.393 1.00 51.54 C ATOM 1051 CZ PHE A 73 -0.315 -1.597 -1.062 1.00 53.21 C ATOM 0 H PHE A 73 1.129 3.141 -5.537 1.00 60.02 H new ATOM 0 HA PHE A 73 -0.171 0.670 -5.818 1.00 22.31 H new ATOM 0 HB2 PHE A 73 1.733 1.135 -4.364 1.00 63.10 H new ATOM 0 HB3 PHE A 73 0.824 2.352 -3.489 1.00 63.10 H new ATOM 0 HD1 PHE A 73 0.101 1.773 -1.375 1.00 43.12 H new ATOM 0 HD2 PHE A 73 0.427 -1.298 -4.380 1.00 4.32 H new ATOM 0 HE1 PHE A 73 -0.420 0.047 0.334 1.00 72.31 H new ATOM 0 HE2 PHE A 73 -0.136 -3.018 -2.676 1.00 51.54 H new ATOM 0 HZ PHE A 73 -0.555 -2.346 -0.322 1.00 53.21 H new ATOM 1061 N ALA A 74 -1.940 2.911 -4.145 1.00 14.44 N ATOM 1062 CA ALA A 74 -3.296 3.212 -3.707 1.00 54.44 C ATOM 1063 C ALA A 74 -4.259 3.285 -4.903 1.00 4.01 C ATOM 1064 O ALA A 74 -5.416 2.877 -4.782 1.00 61.11 O ATOM 1065 CB ALA A 74 -3.281 4.512 -2.908 1.00 2.34 C ATOM 0 H ALA A 74 -1.256 3.632 -3.915 1.00 14.44 H new ATOM 0 HA ALA A 74 -3.660 2.410 -3.064 1.00 54.44 H new ATOM 0 HB1 ALA A 74 -4.292 4.746 -2.575 1.00 2.34 H new ATOM 0 HB2 ALA A 74 -2.631 4.398 -2.041 1.00 2.34 H new ATOM 0 HB3 ALA A 74 -2.909 5.321 -3.537 1.00 2.34 H new ATOM 1071 N SER A 75 -3.789 3.786 -6.050 1.00 61.45 N ATOM 1072 CA SER A 75 -4.589 3.879 -7.267 1.00 34.10 C ATOM 1073 C SER A 75 -4.922 2.456 -7.737 1.00 64.14 C ATOM 1074 O SER A 75 -6.083 2.159 -8.016 1.00 65.41 O ATOM 1075 CB SER A 75 -3.846 4.686 -8.337 1.00 24.53 C ATOM 1076 OG SER A 75 -3.486 5.963 -7.832 1.00 13.43 O ATOM 0 H SER A 75 -2.838 4.139 -6.157 1.00 61.45 H new ATOM 0 HA SER A 75 -5.521 4.409 -7.072 1.00 34.10 H new ATOM 0 HB2 SER A 75 -2.952 4.148 -8.653 1.00 24.53 H new ATOM 0 HB3 SER A 75 -4.477 4.801 -9.218 1.00 24.53 H new ATOM 0 HG SER A 75 -2.772 5.863 -7.169 1.00 13.43 H new ATOM 1082 N SER A 76 -3.930 1.554 -7.768 1.00 60.41 N ATOM 1083 CA SER A 76 -4.121 0.164 -8.168 1.00 63.00 C ATOM 1084 C SER A 76 -5.189 -0.483 -7.281 1.00 31.42 C ATOM 1085 O SER A 76 -6.063 -1.195 -7.783 1.00 22.32 O ATOM 1086 CB SER A 76 -2.798 -0.597 -8.049 1.00 62.13 C ATOM 1087 OG SER A 76 -1.801 -0.029 -8.879 1.00 43.12 O ATOM 0 H SER A 76 -2.968 1.777 -7.513 1.00 60.41 H new ATOM 0 HA SER A 76 -4.453 0.127 -9.206 1.00 63.00 H new ATOM 0 HB2 SER A 76 -2.461 -0.585 -7.012 1.00 62.13 H new ATOM 0 HB3 SER A 76 -2.951 -1.641 -8.323 1.00 62.13 H new ATOM 0 HG SER A 76 -1.537 0.845 -8.522 1.00 43.12 H new ATOM 1093 N LEU A 77 -5.134 -0.224 -5.966 1.00 2.44 N ATOM 1094 CA LEU A 77 -6.097 -0.749 -5.015 1.00 12.53 C ATOM 1095 C LEU A 77 -7.492 -0.248 -5.389 1.00 34.00 C ATOM 1096 O LEU A 77 -8.406 -1.059 -5.494 1.00 13.33 O ATOM 1097 CB LEU A 77 -5.763 -0.308 -3.575 1.00 73.24 C ATOM 1098 CG LEU A 77 -4.994 -1.352 -2.750 1.00 21.43 C ATOM 1099 CD1 LEU A 77 -3.478 -1.267 -2.891 1.00 43.13 C ATOM 1100 CD2 LEU A 77 -5.296 -1.139 -1.271 1.00 54.15 C ATOM 0 H LEU A 77 -4.413 0.359 -5.541 1.00 2.44 H new ATOM 0 HA LEU A 77 -6.061 -1.838 -5.053 1.00 12.53 H new ATOM 0 HB2 LEU A 77 -5.175 0.609 -3.617 1.00 73.24 H new ATOM 0 HB3 LEU A 77 -6.692 -0.067 -3.058 1.00 73.24 H new ATOM 0 HG LEU A 77 -5.321 -2.321 -3.128 1.00 21.43 H new ATOM 0 HD11 LEU A 77 -3.012 -2.038 -2.277 1.00 43.13 H new ATOM 0 HD12 LEU A 77 -3.201 -1.417 -3.934 1.00 43.13 H new ATOM 0 HD13 LEU A 77 -3.136 -0.285 -2.562 1.00 43.13 H new ATOM 0 HD21 LEU A 77 -4.754 -1.876 -0.679 1.00 54.15 H new ATOM 0 HD22 LEU A 77 -4.984 -0.137 -0.977 1.00 54.15 H new ATOM 0 HD23 LEU A 77 -6.366 -1.251 -1.098 1.00 54.15 H new ATOM 1112 N ALA A 78 -7.670 1.067 -5.561 1.00 33.34 N ATOM 1113 CA ALA A 78 -8.956 1.670 -5.904 1.00 1.32 C ATOM 1114 C ALA A 78 -9.529 1.153 -7.221 1.00 75.11 C ATOM 1115 O ALA A 78 -10.751 1.062 -7.324 1.00 34.15 O ATOM 1116 CB ALA A 78 -8.822 3.186 -5.967 1.00 23.04 C ATOM 0 H ALA A 78 -6.915 1.746 -5.464 1.00 33.34 H new ATOM 0 HA ALA A 78 -9.653 1.383 -5.117 1.00 1.32 H new ATOM 0 HB1 ALA A 78 -9.786 3.626 -6.223 1.00 23.04 H new ATOM 0 HB2 ALA A 78 -8.497 3.563 -4.997 1.00 23.04 H new ATOM 0 HB3 ALA A 78 -8.087 3.455 -6.726 1.00 23.04 H new ATOM 1122 N GLU A 79 -8.695 0.813 -8.205 1.00 73.42 N ATOM 1123 CA GLU A 79 -9.180 0.306 -9.483 1.00 4.34 C ATOM 1124 C GLU A 79 -9.830 -1.065 -9.268 1.00 62.11 C ATOM 1125 O GLU A 79 -11.018 -1.222 -9.542 1.00 63.23 O ATOM 1126 CB GLU A 79 -8.021 0.265 -10.493 1.00 31.55 C ATOM 1127 CG GLU A 79 -8.527 -0.091 -11.896 1.00 45.50 C ATOM 1128 CD GLU A 79 -7.401 -0.078 -12.929 1.00 0.23 C ATOM 1129 OE1 GLU A 79 -6.888 -1.155 -13.314 1.00 35.34 O ATOM 1130 OE2 GLU A 79 -7.003 1.021 -13.377 1.00 73.04 O ATOM 0 H GLU A 79 -7.679 0.881 -8.138 1.00 73.42 H new ATOM 0 HA GLU A 79 -9.942 0.966 -9.897 1.00 4.34 H new ATOM 0 HB2 GLU A 79 -7.521 1.233 -10.518 1.00 31.55 H new ATOM 0 HB3 GLU A 79 -7.281 -0.468 -10.173 1.00 31.55 H new ATOM 0 HG2 GLU A 79 -8.989 -1.078 -11.875 1.00 45.50 H new ATOM 0 HG3 GLU A 79 -9.300 0.617 -12.193 1.00 45.50 H new ATOM 1137 N ILE A 80 -9.112 -2.023 -8.668 1.00 21.32 N ATOM 1138 CA ILE A 80 -9.659 -3.362 -8.421 1.00 50.15 C ATOM 1139 C ILE A 80 -10.833 -3.245 -7.437 1.00 43.23 C ATOM 1140 O ILE A 80 -11.859 -3.901 -7.610 1.00 13.04 O ATOM 1141 CB ILE A 80 -8.541 -4.331 -7.957 1.00 73.53 C ATOM 1142 CG1 ILE A 80 -7.406 -4.466 -9.004 1.00 40.24 C ATOM 1143 CG2 ILE A 80 -9.082 -5.730 -7.588 1.00 60.10 C ATOM 1144 CD1 ILE A 80 -7.797 -5.118 -10.338 1.00 3.15 C ATOM 0 H ILE A 80 -8.153 -1.896 -8.345 1.00 21.32 H new ATOM 0 HA ILE A 80 -10.052 -3.796 -9.341 1.00 50.15 H new ATOM 0 HB ILE A 80 -8.126 -3.880 -7.056 1.00 73.53 H new ATOM 0 HG12 ILE A 80 -7.009 -3.472 -9.210 1.00 40.24 H new ATOM 0 HG13 ILE A 80 -6.597 -5.047 -8.561 1.00 40.24 H new ATOM 0 HG21 ILE A 80 -8.257 -6.367 -7.270 1.00 60.10 H new ATOM 0 HG22 ILE A 80 -9.803 -5.639 -6.776 1.00 60.10 H new ATOM 0 HG23 ILE A 80 -9.568 -6.173 -8.457 1.00 60.10 H new ATOM 0 HD11 ILE A 80 -6.926 -5.160 -10.992 1.00 3.15 H new ATOM 0 HD12 ILE A 80 -8.163 -6.129 -10.156 1.00 3.15 H new ATOM 0 HD13 ILE A 80 -8.581 -4.529 -10.815 1.00 3.15 H new ATOM 1156 N ALA A 81 -10.721 -2.359 -6.439 1.00 75.51 N ATOM 1157 CA ALA A 81 -11.753 -2.128 -5.438 1.00 60.32 C ATOM 1158 C ALA A 81 -13.051 -1.629 -6.063 1.00 10.02 C ATOM 1159 O ALA A 81 -14.097 -1.783 -5.425 1.00 53.15 O ATOM 1160 CB ALA A 81 -11.285 -1.081 -4.427 1.00 73.33 C ATOM 0 H ALA A 81 -9.894 -1.776 -6.308 1.00 75.51 H new ATOM 0 HA ALA A 81 -11.936 -3.085 -4.949 1.00 60.32 H new ATOM 0 HB1 ALA A 81 -12.066 -0.918 -3.684 1.00 73.33 H new ATOM 0 HB2 ALA A 81 -10.380 -1.433 -3.931 1.00 73.33 H new ATOM 0 HB3 ALA A 81 -11.075 -0.145 -4.944 1.00 73.33 H new ATOM 1166 N ALA A 82 -12.980 -0.990 -7.233 1.00 54.42 N ATOM 1167 CA ALA A 82 -14.117 -0.471 -7.973 1.00 14.02 C ATOM 1168 C ALA A 82 -14.569 -1.451 -9.067 1.00 5.52 C ATOM 1169 O ALA A 82 -15.682 -1.313 -9.568 1.00 62.52 O ATOM 1170 CB ALA A 82 -13.726 0.870 -8.598 1.00 1.12 C ATOM 0 H ALA A 82 -12.092 -0.817 -7.703 1.00 54.42 H new ATOM 0 HA ALA A 82 -14.953 -0.338 -7.287 1.00 14.02 H new ATOM 0 HB1 ALA A 82 -14.571 1.271 -9.157 1.00 1.12 H new ATOM 0 HB2 ALA A 82 -13.446 1.570 -7.811 1.00 1.12 H new ATOM 0 HB3 ALA A 82 -12.882 0.725 -9.272 1.00 1.12 H new ATOM 1176 N SER A 83 -13.741 -2.425 -9.458 1.00 1.50 N ATOM 1177 CA SER A 83 -14.071 -3.398 -10.491 1.00 13.24 C ATOM 1178 C SER A 83 -15.204 -4.308 -10.011 1.00 25.54 C ATOM 1179 O SER A 83 -16.232 -4.412 -10.682 1.00 70.54 O ATOM 1180 CB SER A 83 -12.814 -4.183 -10.892 1.00 5.41 C ATOM 1181 OG SER A 83 -13.043 -4.936 -12.069 1.00 73.54 O ATOM 0 H SER A 83 -12.812 -2.557 -9.058 1.00 1.50 H new ATOM 0 HA SER A 83 -14.428 -2.884 -11.384 1.00 13.24 H new ATOM 0 HB2 SER A 83 -11.985 -3.493 -11.052 1.00 5.41 H new ATOM 0 HB3 SER A 83 -12.522 -4.849 -10.080 1.00 5.41 H new ATOM 0 HG SER A 83 -12.229 -5.427 -12.307 1.00 73.54 H new ATOM 1187 N GLU A 84 -15.040 -4.939 -8.846 1.00 23.32 N ATOM 1188 CA GLU A 84 -16.024 -5.845 -8.271 1.00 73.33 C ATOM 1189 C GLU A 84 -16.025 -5.693 -6.746 1.00 35.31 C ATOM 1190 O GLU A 84 -15.215 -4.951 -6.180 1.00 42.24 O ATOM 1191 CB GLU A 84 -15.665 -7.283 -8.689 1.00 74.30 C ATOM 1192 CG GLU A 84 -16.882 -8.219 -8.741 1.00 22.13 C ATOM 1193 CD GLU A 84 -16.452 -9.682 -8.660 1.00 60.54 C ATOM 1194 OE1 GLU A 84 -15.644 -10.155 -9.486 1.00 71.13 O ATOM 1195 OE2 GLU A 84 -16.895 -10.403 -7.736 1.00 65.44 O ATOM 0 H GLU A 84 -14.205 -4.830 -8.270 1.00 23.32 H new ATOM 0 HA GLU A 84 -17.025 -5.611 -8.633 1.00 73.33 H new ATOM 0 HB2 GLU A 84 -15.189 -7.262 -9.669 1.00 74.30 H new ATOM 0 HB3 GLU A 84 -14.934 -7.686 -7.988 1.00 74.30 H new ATOM 0 HG2 GLU A 84 -17.558 -7.989 -7.917 1.00 22.13 H new ATOM 0 HG3 GLU A 84 -17.436 -8.050 -9.664 1.00 22.13 H new ATOM 1202 N GLU A 85 -16.966 -6.334 -6.052 1.00 42.44 N ATOM 1203 CA GLU A 85 -17.073 -6.293 -4.600 1.00 41.44 C ATOM 1204 C GLU A 85 -16.146 -7.372 -4.009 1.00 2.20 C ATOM 1205 O GLU A 85 -15.764 -8.328 -4.691 1.00 2.22 O ATOM 1206 CB GLU A 85 -18.551 -6.459 -4.198 1.00 62.13 C ATOM 1207 CG GLU A 85 -18.828 -5.860 -2.812 1.00 71.35 C ATOM 1208 CD GLU A 85 -20.301 -5.962 -2.411 1.00 53.03 C ATOM 1209 OE1 GLU A 85 -20.733 -7.047 -1.958 1.00 50.31 O ATOM 1210 OE2 GLU A 85 -21.043 -4.960 -2.519 1.00 31.31 O ATOM 0 H GLU A 85 -17.686 -6.905 -6.494 1.00 42.44 H new ATOM 0 HA GLU A 85 -16.747 -5.334 -4.196 1.00 41.44 H new ATOM 0 HB2 GLU A 85 -19.187 -5.974 -4.939 1.00 62.13 H new ATOM 0 HB3 GLU A 85 -18.812 -7.517 -4.197 1.00 62.13 H new ATOM 0 HG2 GLU A 85 -18.217 -6.373 -2.070 1.00 71.35 H new ATOM 0 HG3 GLU A 85 -18.525 -4.813 -2.806 1.00 71.35 H new ATOM 1217 N GLY A 86 -15.798 -7.266 -2.725 1.00 55.04 N ATOM 1218 CA GLY A 86 -14.920 -8.228 -2.059 1.00 52.44 C ATOM 1219 C GLY A 86 -15.102 -8.271 -0.547 1.00 14.32 C ATOM 1220 O GLY A 86 -14.201 -8.713 0.162 1.00 64.45 O ATOM 0 H GLY A 86 -16.117 -6.511 -2.118 1.00 55.04 H new ATOM 0 HA2 GLY A 86 -15.106 -9.221 -2.468 1.00 52.44 H new ATOM 0 HA3 GLY A 86 -13.883 -7.979 -2.285 1.00 52.44 H new ATOM 1224 N GLY A 87 -16.238 -7.790 -0.037 1.00 20.02 N ATOM 1225 CA GLY A 87 -16.558 -7.749 1.386 1.00 63.01 C ATOM 1226 C GLY A 87 -17.302 -6.472 1.770 1.00 43.31 C ATOM 1227 O GLY A 87 -17.175 -6.017 2.909 1.00 55.44 O ATOM 0 H GLY A 87 -16.981 -7.408 -0.623 1.00 20.02 H new ATOM 0 HA2 GLY A 87 -17.167 -8.615 1.645 1.00 63.01 H new ATOM 0 HA3 GLY A 87 -15.638 -7.821 1.966 1.00 63.01 H new ATOM 1231 N GLY A 88 -18.021 -5.837 0.842 1.00 23.54 N ATOM 1232 CA GLY A 88 -18.773 -4.613 1.068 1.00 31.03 C ATOM 1233 C GLY A 88 -18.368 -3.494 0.113 1.00 23.10 C ATOM 1234 O GLY A 88 -17.515 -3.664 -0.768 1.00 50.24 O ATOM 0 H GLY A 88 -18.095 -6.176 -0.117 1.00 23.54 H new ATOM 0 HA2 GLY A 88 -19.837 -4.818 0.952 1.00 31.03 H new ATOM 0 HA3 GLY A 88 -18.622 -4.282 2.095 1.00 31.03 H new ATOM 1238 N SER A 89 -19.007 -2.346 0.326 1.00 15.40 N ATOM 1239 CA SER A 89 -18.868 -1.098 -0.403 1.00 65.13 C ATOM 1240 C SER A 89 -17.435 -0.570 -0.479 1.00 40.12 C ATOM 1241 O SER A 89 -16.532 -1.027 0.222 1.00 74.31 O ATOM 1242 CB SER A 89 -19.735 -0.058 0.324 1.00 41.13 C ATOM 1243 OG SER A 89 -21.076 -0.481 0.473 1.00 34.43 O ATOM 0 H SER A 89 -19.692 -2.263 1.077 1.00 15.40 H new ATOM 0 HA SER A 89 -19.177 -1.279 -1.433 1.00 65.13 H new ATOM 0 HB2 SER A 89 -19.309 0.142 1.307 1.00 41.13 H new ATOM 0 HB3 SER A 89 -19.713 0.880 -0.230 1.00 41.13 H new ATOM 0 HG SER A 89 -21.587 0.211 0.942 1.00 34.43 H new ATOM 1249 N LEU A 90 -17.236 0.454 -1.315 1.00 70.42 N ATOM 1250 CA LEU A 90 -15.946 1.115 -1.502 1.00 53.10 C ATOM 1251 C LEU A 90 -15.461 1.624 -0.145 1.00 44.20 C ATOM 1252 O LEU A 90 -14.335 1.333 0.249 1.00 3.42 O ATOM 1253 CB LEU A 90 -16.108 2.283 -2.495 1.00 23.14 C ATOM 1254 CG LEU A 90 -15.525 2.037 -3.893 1.00 74.50 C ATOM 1255 CD1 LEU A 90 -15.998 0.760 -4.575 1.00 12.22 C ATOM 1256 CD2 LEU A 90 -15.880 3.230 -4.782 1.00 44.23 C ATOM 0 H LEU A 90 -17.980 0.851 -1.889 1.00 70.42 H new ATOM 0 HA LEU A 90 -15.214 0.417 -1.908 1.00 53.10 H new ATOM 0 HB2 LEU A 90 -17.170 2.509 -2.596 1.00 23.14 H new ATOM 0 HB3 LEU A 90 -15.633 3.168 -2.071 1.00 23.14 H new ATOM 0 HG LEU A 90 -14.450 1.918 -3.756 1.00 74.50 H new ATOM 0 HD11 LEU A 90 -15.530 0.677 -5.556 1.00 12.22 H new ATOM 0 HD12 LEU A 90 -15.721 -0.101 -3.967 1.00 12.22 H new ATOM 0 HD13 LEU A 90 -17.081 0.789 -4.691 1.00 12.22 H new ATOM 0 HD21 LEU A 90 -15.473 3.073 -5.781 1.00 44.23 H new ATOM 0 HD22 LEU A 90 -16.964 3.329 -4.843 1.00 44.23 H new ATOM 0 HD23 LEU A 90 -15.456 4.140 -4.357 1.00 44.23 H new ATOM 1268 N SER A 91 -16.342 2.303 0.598 1.00 62.24 N ATOM 1269 CA SER A 91 -16.046 2.852 1.915 1.00 4.23 C ATOM 1270 C SER A 91 -15.641 1.749 2.906 1.00 4.01 C ATOM 1271 O SER A 91 -14.728 1.927 3.712 1.00 33.34 O ATOM 1272 CB SER A 91 -17.256 3.653 2.410 1.00 0.21 C ATOM 1273 OG SER A 91 -17.822 4.441 1.366 1.00 64.45 O ATOM 0 H SER A 91 -17.297 2.487 0.290 1.00 62.24 H new ATOM 0 HA SER A 91 -15.190 3.523 1.840 1.00 4.23 H new ATOM 0 HB2 SER A 91 -18.010 2.970 2.802 1.00 0.21 H new ATOM 0 HB3 SER A 91 -16.953 4.300 3.233 1.00 0.21 H new ATOM 0 HG SER A 91 -17.115 4.724 0.749 1.00 64.45 H new ATOM 1279 N THR A 92 -16.310 0.598 2.850 1.00 64.04 N ATOM 1280 CA THR A 92 -16.018 -0.532 3.714 1.00 11.43 C ATOM 1281 C THR A 92 -14.609 -1.041 3.404 1.00 71.10 C ATOM 1282 O THR A 92 -13.780 -1.193 4.303 1.00 24.51 O ATOM 1283 CB THR A 92 -17.061 -1.630 3.452 1.00 62.34 C ATOM 1284 OG1 THR A 92 -18.365 -1.078 3.364 1.00 22.33 O ATOM 1285 CG2 THR A 92 -17.038 -2.682 4.552 1.00 71.33 C ATOM 0 H THR A 92 -17.075 0.428 2.197 1.00 64.04 H new ATOM 0 HA THR A 92 -16.063 -0.240 4.763 1.00 11.43 H new ATOM 0 HB THR A 92 -16.804 -2.101 2.503 1.00 62.34 H new ATOM 0 HG1 THR A 92 -19.013 -1.794 3.195 1.00 22.33 H new ATOM 0 HG21 THR A 92 -17.786 -3.446 4.340 1.00 71.33 H new ATOM 0 HG22 THR A 92 -16.051 -3.142 4.595 1.00 71.33 H new ATOM 0 HG23 THR A 92 -17.261 -2.212 5.510 1.00 71.33 H new ATOM 1293 N LYS A 93 -14.332 -1.255 2.114 1.00 51.41 N ATOM 1294 CA LYS A 93 -13.064 -1.751 1.615 1.00 30.03 C ATOM 1295 C LYS A 93 -11.922 -0.872 2.110 1.00 14.33 C ATOM 1296 O LYS A 93 -10.991 -1.400 2.717 1.00 43.24 O ATOM 1297 CB LYS A 93 -13.144 -1.908 0.081 1.00 10.33 C ATOM 1298 CG LYS A 93 -12.235 -3.047 -0.397 1.00 55.45 C ATOM 1299 CD LYS A 93 -12.402 -3.468 -1.868 1.00 11.23 C ATOM 1300 CE LYS A 93 -13.783 -4.020 -2.270 1.00 25.52 C ATOM 1301 NZ LYS A 93 -14.722 -2.986 -2.768 1.00 73.34 N ATOM 0 H LYS A 93 -15.011 -1.080 1.373 1.00 51.41 H new ATOM 0 HA LYS A 93 -12.849 -2.744 2.009 1.00 30.03 H new ATOM 0 HB2 LYS A 93 -14.173 -2.109 -0.215 1.00 10.33 H new ATOM 0 HB3 LYS A 93 -12.850 -0.975 -0.401 1.00 10.33 H new ATOM 0 HG2 LYS A 93 -11.198 -2.749 -0.240 1.00 55.45 H new ATOM 0 HG3 LYS A 93 -12.415 -3.918 0.233 1.00 55.45 H new ATOM 0 HD2 LYS A 93 -12.183 -2.605 -2.497 1.00 11.23 H new ATOM 0 HD3 LYS A 93 -11.652 -4.226 -2.094 1.00 11.23 H new ATOM 0 HE2 LYS A 93 -13.650 -4.778 -3.042 1.00 25.52 H new ATOM 0 HE3 LYS A 93 -14.229 -4.517 -1.409 1.00 25.52 H new ATOM 0 HZ1 LYS A 93 -15.700 -3.313 -2.635 1.00 73.34 H new ATOM 0 HZ2 LYS A 93 -14.577 -2.102 -2.239 1.00 73.34 H new ATOM 0 HZ3 LYS A 93 -14.548 -2.817 -3.779 1.00 73.34 H new ATOM 1315 N THR A 94 -12.002 0.447 1.914 1.00 32.11 N ATOM 1316 CA THR A 94 -10.974 1.397 2.336 1.00 52.02 C ATOM 1317 C THR A 94 -10.636 1.230 3.826 1.00 13.52 C ATOM 1318 O THR A 94 -9.471 1.024 4.178 1.00 21.52 O ATOM 1319 CB THR A 94 -11.366 2.814 1.885 1.00 23.30 C ATOM 1320 OG1 THR A 94 -12.725 3.117 2.099 1.00 44.42 O ATOM 1321 CG2 THR A 94 -11.150 2.907 0.374 1.00 70.41 C ATOM 0 H THR A 94 -12.796 0.890 1.451 1.00 32.11 H new ATOM 0 HA THR A 94 -10.027 1.188 1.839 1.00 52.02 H new ATOM 0 HB THR A 94 -10.757 3.506 2.467 1.00 23.30 H new ATOM 0 HG1 THR A 94 -13.087 2.526 2.792 1.00 44.42 H new ATOM 0 HG21 THR A 94 -11.421 3.904 0.028 1.00 70.41 H new ATOM 0 HG22 THR A 94 -10.102 2.716 0.144 1.00 70.41 H new ATOM 0 HG23 THR A 94 -11.773 2.167 -0.129 1.00 70.41 H new ATOM 1329 N SER A 95 -11.643 1.244 4.703 1.00 31.01 N ATOM 1330 CA SER A 95 -11.447 1.080 6.143 1.00 74.34 C ATOM 1331 C SER A 95 -10.783 -0.272 6.451 1.00 72.55 C ATOM 1332 O SER A 95 -9.864 -0.362 7.274 1.00 30.41 O ATOM 1333 CB SER A 95 -12.824 1.234 6.803 1.00 34.31 C ATOM 1334 OG SER A 95 -12.880 0.842 8.162 1.00 41.41 O ATOM 0 H SER A 95 -12.618 1.370 4.433 1.00 31.01 H new ATOM 0 HA SER A 95 -10.769 1.834 6.544 1.00 74.34 H new ATOM 0 HB2 SER A 95 -13.132 2.277 6.728 1.00 34.31 H new ATOM 0 HB3 SER A 95 -13.549 0.646 6.240 1.00 34.31 H new ATOM 0 HG SER A 95 -13.789 0.974 8.503 1.00 41.41 H new ATOM 1340 N SER A 96 -11.222 -1.331 5.770 1.00 75.44 N ATOM 1341 CA SER A 96 -10.716 -2.681 5.940 1.00 31.12 C ATOM 1342 C SER A 96 -9.219 -2.758 5.585 1.00 2.32 C ATOM 1343 O SER A 96 -8.450 -3.368 6.329 1.00 71.34 O ATOM 1344 CB SER A 96 -11.637 -3.614 5.144 1.00 41.13 C ATOM 1345 OG SER A 96 -11.600 -4.949 5.616 1.00 60.33 O ATOM 0 H SER A 96 -11.959 -1.265 5.068 1.00 75.44 H new ATOM 0 HA SER A 96 -10.743 -3.007 6.980 1.00 31.12 H new ATOM 0 HB2 SER A 96 -12.660 -3.242 5.198 1.00 41.13 H new ATOM 0 HB3 SER A 96 -11.346 -3.596 4.094 1.00 41.13 H new ATOM 0 HG SER A 96 -12.394 -5.430 5.301 1.00 60.33 H new ATOM 1351 N ILE A 97 -8.766 -2.091 4.518 1.00 53.00 N ATOM 1352 CA ILE A 97 -7.365 -2.059 4.089 1.00 55.02 C ATOM 1353 C ILE A 97 -6.504 -1.507 5.216 1.00 52.02 C ATOM 1354 O ILE A 97 -5.514 -2.140 5.581 1.00 72.11 O ATOM 1355 CB ILE A 97 -7.243 -1.203 2.813 1.00 75.40 C ATOM 1356 CG1 ILE A 97 -7.881 -2.006 1.658 1.00 63.35 C ATOM 1357 CG2 ILE A 97 -5.806 -0.795 2.447 1.00 61.44 C ATOM 1358 CD1 ILE A 97 -8.590 -1.117 0.636 1.00 71.02 C ATOM 0 H ILE A 97 -9.380 -1.545 3.914 1.00 53.00 H new ATOM 0 HA ILE A 97 -7.016 -3.065 3.858 1.00 55.02 H new ATOM 0 HB ILE A 97 -7.758 -0.260 2.997 1.00 75.40 H new ATOM 0 HG12 ILE A 97 -7.107 -2.585 1.154 1.00 63.35 H new ATOM 0 HG13 ILE A 97 -8.595 -2.719 2.069 1.00 63.35 H new ATOM 0 HG21 ILE A 97 -5.819 -0.196 1.537 1.00 61.44 H new ATOM 0 HG22 ILE A 97 -5.375 -0.211 3.260 1.00 61.44 H new ATOM 0 HG23 ILE A 97 -5.204 -1.689 2.285 1.00 61.44 H new ATOM 0 HD11 ILE A 97 -9.018 -1.738 -0.151 1.00 71.02 H new ATOM 0 HD12 ILE A 97 -9.385 -0.558 1.130 1.00 71.02 H new ATOM 0 HD13 ILE A 97 -7.873 -0.421 0.200 1.00 71.02 H new ATOM 1370 N ALA A 98 -6.865 -0.343 5.769 1.00 73.42 N ATOM 1371 CA ALA A 98 -6.103 0.250 6.861 1.00 41.44 C ATOM 1372 C ALA A 98 -6.062 -0.709 8.049 1.00 74.24 C ATOM 1373 O ALA A 98 -5.016 -0.910 8.668 1.00 41.22 O ATOM 1374 CB ALA A 98 -6.720 1.587 7.263 1.00 53.44 C ATOM 0 H ALA A 98 -7.677 0.201 5.476 1.00 73.42 H new ATOM 0 HA ALA A 98 -5.081 0.430 6.529 1.00 41.44 H new ATOM 0 HB1 ALA A 98 -6.144 2.023 8.079 1.00 53.44 H new ATOM 0 HB2 ALA A 98 -6.709 2.264 6.409 1.00 53.44 H new ATOM 0 HB3 ALA A 98 -7.749 1.430 7.588 1.00 53.44 H new ATOM 1380 N SER A 99 -7.208 -1.329 8.336 1.00 40.11 N ATOM 1381 CA SER A 99 -7.335 -2.277 9.428 1.00 5.43 C ATOM 1382 C SER A 99 -6.352 -3.444 9.231 1.00 32.20 C ATOM 1383 O SER A 99 -5.763 -3.906 10.213 1.00 42.44 O ATOM 1384 CB SER A 99 -8.788 -2.754 9.554 1.00 52.00 C ATOM 1385 OG SER A 99 -9.704 -1.679 9.687 1.00 21.12 O ATOM 0 H SER A 99 -8.071 -1.183 7.813 1.00 40.11 H new ATOM 0 HA SER A 99 -7.076 -1.787 10.367 1.00 5.43 H new ATOM 0 HB2 SER A 99 -9.051 -3.344 8.676 1.00 52.00 H new ATOM 0 HB3 SER A 99 -8.877 -3.412 10.418 1.00 52.00 H new ATOM 0 HG SER A 99 -9.699 -1.142 8.867 1.00 21.12 H new ATOM 1391 N ALA A 100 -6.143 -3.906 7.990 1.00 74.01 N ATOM 1392 CA ALA A 100 -5.236 -5.001 7.666 1.00 3.15 C ATOM 1393 C ALA A 100 -3.765 -4.560 7.686 1.00 23.13 C ATOM 1394 O ALA A 100 -2.931 -5.249 8.276 1.00 11.15 O ATOM 1395 CB ALA A 100 -5.596 -5.554 6.280 1.00 55.52 C ATOM 0 H ALA A 100 -6.612 -3.517 7.172 1.00 74.01 H new ATOM 0 HA ALA A 100 -5.351 -5.773 8.427 1.00 3.15 H new ATOM 0 HB1 ALA A 100 -4.923 -6.374 6.029 1.00 55.52 H new ATOM 0 HB2 ALA A 100 -6.623 -5.918 6.289 1.00 55.52 H new ATOM 0 HB3 ALA A 100 -5.498 -4.763 5.536 1.00 55.52 H new ATOM 1401 N LEU A 101 -3.444 -3.397 7.107 1.00 53.23 N ATOM 1402 CA LEU A 101 -2.087 -2.842 7.005 1.00 15.52 C ATOM 1403 C LEU A 101 -1.388 -2.758 8.351 1.00 0.42 C ATOM 1404 O LEU A 101 -0.197 -3.056 8.439 1.00 23.35 O ATOM 1405 CB LEU A 101 -2.141 -1.427 6.408 1.00 52.34 C ATOM 1406 CG LEU A 101 -2.234 -1.406 4.878 1.00 71.21 C ATOM 1407 CD1 LEU A 101 -2.719 -0.028 4.415 1.00 71.12 C ATOM 1408 CD2 LEU A 101 -0.883 -1.702 4.230 1.00 65.51 C ATOM 0 H LEU A 101 -4.147 -2.794 6.681 1.00 53.23 H new ATOM 0 HA LEU A 101 -1.523 -3.519 6.363 1.00 15.52 H new ATOM 0 HB2 LEU A 101 -3.000 -0.900 6.823 1.00 52.34 H new ATOM 0 HB3 LEU A 101 -1.251 -0.878 6.717 1.00 52.34 H new ATOM 0 HG LEU A 101 -2.938 -2.181 4.574 1.00 71.21 H new ATOM 0 HD11 LEU A 101 -2.785 -0.012 3.327 1.00 71.12 H new ATOM 0 HD12 LEU A 101 -3.702 0.174 4.841 1.00 71.12 H new ATOM 0 HD13 LEU A 101 -2.015 0.736 4.747 1.00 71.12 H new ATOM 0 HD21 LEU A 101 -0.987 -1.679 3.145 1.00 65.51 H new ATOM 0 HD22 LEU A 101 -0.158 -0.950 4.541 1.00 65.51 H new ATOM 0 HD23 LEU A 101 -0.539 -2.689 4.540 1.00 65.51 H new ATOM 1420 N SER A 102 -2.117 -2.382 9.398 1.00 22.33 N ATOM 1421 CA SER A 102 -1.559 -2.281 10.735 1.00 32.51 C ATOM 1422 C SER A 102 -0.943 -3.619 11.166 1.00 22.10 C ATOM 1423 O SER A 102 0.133 -3.645 11.764 1.00 14.14 O ATOM 1424 CB SER A 102 -2.677 -1.829 11.670 1.00 11.43 C ATOM 1425 OG SER A 102 -2.181 -1.573 12.962 1.00 50.20 O ATOM 0 H SER A 102 -3.106 -2.141 9.340 1.00 22.33 H new ATOM 0 HA SER A 102 -0.750 -1.551 10.766 1.00 32.51 H new ATOM 0 HB2 SER A 102 -3.147 -0.930 11.272 1.00 11.43 H new ATOM 0 HB3 SER A 102 -3.449 -2.597 11.718 1.00 11.43 H new ATOM 0 HG SER A 102 -2.915 -1.283 13.543 1.00 50.20 H new ATOM 1431 N ASN A 103 -1.598 -4.743 10.856 1.00 40.01 N ATOM 1432 CA ASN A 103 -1.081 -6.052 11.232 1.00 20.30 C ATOM 1433 C ASN A 103 0.162 -6.407 10.411 1.00 61.23 C ATOM 1434 O ASN A 103 1.061 -7.075 10.925 1.00 62.45 O ATOM 1435 CB ASN A 103 -2.178 -7.121 11.118 1.00 64.30 C ATOM 1436 CG ASN A 103 -1.827 -8.396 11.881 1.00 65.21 C ATOM 1437 OD1 ASN A 103 -2.045 -9.498 11.388 1.00 72.43 O ATOM 1438 ND2 ASN A 103 -1.336 -8.304 13.106 1.00 74.15 N ATOM 0 H ASN A 103 -2.482 -4.767 10.348 1.00 40.01 H new ATOM 0 HA ASN A 103 -0.771 -6.017 12.277 1.00 20.30 H new ATOM 0 HB2 ASN A 103 -3.116 -6.718 11.500 1.00 64.30 H new ATOM 0 HB3 ASN A 103 -2.339 -7.362 10.067 1.00 64.30 H new ATOM 0 HD21 ASN A 103 -1.138 -9.150 13.641 1.00 74.15 H new ATOM 0 HD22 ASN A 103 -1.155 -7.387 13.515 1.00 74.15 H new ATOM 1445 N ALA A 104 0.225 -5.971 9.144 1.00 34.14 N ATOM 1446 CA ALA A 104 1.368 -6.224 8.270 1.00 63.44 C ATOM 1447 C ALA A 104 2.593 -5.465 8.805 1.00 54.10 C ATOM 1448 O ALA A 104 3.697 -6.001 8.791 1.00 75.43 O ATOM 1449 CB ALA A 104 1.044 -5.848 6.809 1.00 61.33 C ATOM 0 H ALA A 104 -0.519 -5.433 8.701 1.00 34.14 H new ATOM 0 HA ALA A 104 1.597 -7.290 8.271 1.00 63.44 H new ATOM 0 HB1 ALA A 104 1.912 -6.047 6.181 1.00 61.33 H new ATOM 0 HB2 ALA A 104 0.200 -6.442 6.459 1.00 61.33 H new ATOM 0 HB3 ALA A 104 0.791 -4.789 6.753 1.00 61.33 H new ATOM 1455 N PHE A 105 2.407 -4.247 9.330 1.00 20.12 N ATOM 1456 CA PHE A 105 3.463 -3.400 9.887 1.00 31.42 C ATOM 1457 C PHE A 105 4.265 -4.127 10.979 1.00 52.14 C ATOM 1458 O PHE A 105 5.501 -4.098 10.997 1.00 42.23 O ATOM 1459 CB PHE A 105 2.825 -2.107 10.423 1.00 20.31 C ATOM 1460 CG PHE A 105 3.241 -0.848 9.694 1.00 55.31 C ATOM 1461 CD1 PHE A 105 4.548 -0.349 9.825 1.00 22.14 C ATOM 1462 CD2 PHE A 105 2.313 -0.150 8.903 1.00 21.30 C ATOM 1463 CE1 PHE A 105 4.910 0.876 9.245 1.00 11.44 C ATOM 1464 CE2 PHE A 105 2.679 1.069 8.310 1.00 35.42 C ATOM 1465 CZ PHE A 105 3.966 1.595 8.496 1.00 4.42 C ATOM 0 H PHE A 105 1.486 -3.812 9.379 1.00 20.12 H new ATOM 0 HA PHE A 105 4.176 -3.155 9.100 1.00 31.42 H new ATOM 0 HB2 PHE A 105 1.741 -2.202 10.366 1.00 20.31 H new ATOM 0 HB3 PHE A 105 3.081 -2.002 11.477 1.00 20.31 H new ATOM 0 HD1 PHE A 105 5.282 -0.915 10.379 1.00 22.14 H new ATOM 0 HD2 PHE A 105 1.321 -0.550 8.752 1.00 21.30 H new ATOM 0 HE1 PHE A 105 5.910 1.264 9.374 1.00 11.44 H new ATOM 0 HE2 PHE A 105 1.963 1.606 7.705 1.00 35.42 H new ATOM 0 HZ PHE A 105 4.229 2.549 8.065 1.00 4.42 H new ATOM 1475 N LEU A 106 3.556 -4.819 11.875 1.00 64.01 N ATOM 1476 CA LEU A 106 4.129 -5.582 12.977 1.00 64.41 C ATOM 1477 C LEU A 106 5.067 -6.694 12.493 1.00 35.40 C ATOM 1478 O LEU A 106 5.941 -7.096 13.261 1.00 32.34 O ATOM 1479 CB LEU A 106 3.014 -6.112 13.903 1.00 12.40 C ATOM 1480 CG LEU A 106 2.668 -5.182 15.087 1.00 4.00 C ATOM 1481 CD1 LEU A 106 3.818 -5.104 16.092 1.00 73.53 C ATOM 1482 CD2 LEU A 106 2.277 -3.765 14.667 1.00 44.11 C ATOM 0 H LEU A 106 2.537 -4.862 11.849 1.00 64.01 H new ATOM 0 HA LEU A 106 4.753 -4.906 13.561 1.00 64.41 H new ATOM 0 HB2 LEU A 106 2.114 -6.275 13.310 1.00 12.40 H new ATOM 0 HB3 LEU A 106 3.317 -7.083 14.296 1.00 12.40 H new ATOM 0 HG LEU A 106 1.794 -5.638 15.553 1.00 4.00 H new ATOM 0 HD11 LEU A 106 3.540 -4.441 16.912 1.00 73.53 H new ATOM 0 HD12 LEU A 106 4.026 -6.099 16.485 1.00 73.53 H new ATOM 0 HD13 LEU A 106 4.708 -4.716 15.597 1.00 73.53 H new ATOM 0 HD21 LEU A 106 2.049 -3.173 15.553 1.00 44.11 H new ATOM 0 HD22 LEU A 106 3.104 -3.305 14.126 1.00 44.11 H new ATOM 0 HD23 LEU A 106 1.399 -3.806 14.022 1.00 44.11 H new ATOM 1494 N GLN A 107 4.854 -7.230 11.287 1.00 50.12 N ATOM 1495 CA GLN A 107 5.671 -8.281 10.688 1.00 23.32 C ATOM 1496 C GLN A 107 6.829 -7.694 9.875 1.00 23.22 C ATOM 1497 O GLN A 107 7.953 -8.178 9.984 1.00 45.12 O ATOM 1498 CB GLN A 107 4.796 -9.147 9.755 1.00 24.42 C ATOM 1499 CG GLN A 107 4.160 -10.353 10.460 1.00 24.03 C ATOM 1500 CD GLN A 107 5.065 -11.588 10.423 1.00 53.34 C ATOM 1501 OE1 GLN A 107 6.267 -11.502 10.673 1.00 3.42 O ATOM 1502 NE2 GLN A 107 4.512 -12.754 10.144 1.00 41.32 N ATOM 0 H GLN A 107 4.085 -6.933 10.686 1.00 50.12 H new ATOM 0 HA GLN A 107 6.084 -8.886 11.495 1.00 23.32 H new ATOM 0 HB2 GLN A 107 4.007 -8.527 9.330 1.00 24.42 H new ATOM 0 HB3 GLN A 107 5.405 -9.502 8.924 1.00 24.42 H new ATOM 0 HG2 GLN A 107 3.944 -10.094 11.496 1.00 24.03 H new ATOM 0 HG3 GLN A 107 3.207 -10.588 9.985 1.00 24.03 H new ATOM 0 HE21 GLN A 107 3.514 -12.809 9.939 1.00 41.32 H new ATOM 0 HE22 GLN A 107 5.082 -13.600 10.134 1.00 41.32 H new ATOM 1511 N THR A 108 6.578 -6.654 9.078 1.00 64.11 N ATOM 1512 CA THR A 108 7.584 -6.035 8.223 1.00 74.04 C ATOM 1513 C THR A 108 8.705 -5.329 8.987 1.00 75.32 C ATOM 1514 O THR A 108 9.884 -5.569 8.712 1.00 62.31 O ATOM 1515 CB THR A 108 6.894 -5.054 7.253 1.00 14.34 C ATOM 1516 OG1 THR A 108 6.184 -4.044 7.948 1.00 42.52 O ATOM 1517 CG2 THR A 108 5.908 -5.748 6.317 1.00 23.32 C ATOM 0 H THR A 108 5.660 -6.215 9.010 1.00 64.11 H new ATOM 0 HA THR A 108 8.069 -6.843 7.675 1.00 74.04 H new ATOM 0 HB THR A 108 7.703 -4.617 6.668 1.00 14.34 H new ATOM 0 HG1 THR A 108 5.760 -3.439 7.303 1.00 42.52 H new ATOM 0 HG21 THR A 108 5.452 -5.010 5.657 1.00 23.32 H new ATOM 0 HG22 THR A 108 6.435 -6.492 5.720 1.00 23.32 H new ATOM 0 HG23 THR A 108 5.132 -6.238 6.905 1.00 23.32 H new ATOM 1525 N THR A 109 8.347 -4.435 9.914 1.00 64.32 N ATOM 1526 CA THR A 109 9.287 -3.642 10.701 1.00 13.03 C ATOM 1527 C THR A 109 9.098 -3.757 12.220 1.00 21.42 C ATOM 1528 O THR A 109 10.029 -3.436 12.963 1.00 54.41 O ATOM 1529 CB THR A 109 9.258 -2.208 10.119 1.00 12.22 C ATOM 1530 OG1 THR A 109 10.178 -1.331 10.735 1.00 25.13 O ATOM 1531 CG2 THR A 109 7.864 -1.579 10.162 1.00 12.11 C ATOM 0 H THR A 109 7.372 -4.241 10.141 1.00 64.32 H new ATOM 0 HA THR A 109 10.298 -4.039 10.605 1.00 13.03 H new ATOM 0 HB THR A 109 9.556 -2.339 9.079 1.00 12.22 H new ATOM 0 HG1 THR A 109 10.111 -0.445 10.322 1.00 25.13 H new ATOM 0 HG21 THR A 109 7.905 -0.574 9.741 1.00 12.11 H new ATOM 0 HG22 THR A 109 7.172 -2.188 9.581 1.00 12.11 H new ATOM 0 HG23 THR A 109 7.521 -1.526 11.195 1.00 12.11 H new ATOM 1539 N GLY A 110 7.953 -4.240 12.713 1.00 60.40 N ATOM 1540 CA GLY A 110 7.711 -4.386 14.150 1.00 15.50 C ATOM 1541 C GLY A 110 7.180 -3.123 14.822 1.00 12.21 C ATOM 1542 O GLY A 110 6.872 -3.150 16.013 1.00 44.02 O ATOM 0 H GLY A 110 7.172 -4.539 12.129 1.00 60.40 H new ATOM 0 HA2 GLY A 110 6.999 -5.196 14.308 1.00 15.50 H new ATOM 0 HA3 GLY A 110 8.641 -4.680 14.636 1.00 15.50 H new ATOM 1546 N VAL A 111 7.051 -2.027 14.082 1.00 21.43 N ATOM 1547 CA VAL A 111 6.547 -0.740 14.545 1.00 62.13 C ATOM 1548 C VAL A 111 5.259 -0.466 13.766 1.00 70.11 C ATOM 1549 O VAL A 111 5.062 -1.061 12.710 1.00 1.42 O ATOM 1550 CB VAL A 111 7.641 0.337 14.389 1.00 35.40 C ATOM 1551 CG1 VAL A 111 8.799 0.039 15.356 1.00 14.13 C ATOM 1552 CG2 VAL A 111 8.212 0.473 12.972 1.00 34.10 C ATOM 0 H VAL A 111 7.308 -2.012 13.095 1.00 21.43 H new ATOM 0 HA VAL A 111 6.303 -0.733 15.607 1.00 62.13 H new ATOM 0 HB VAL A 111 7.150 1.283 14.618 1.00 35.40 H new ATOM 0 HG11 VAL A 111 9.571 0.800 15.245 1.00 14.13 H new ATOM 0 HG12 VAL A 111 8.428 0.045 16.381 1.00 14.13 H new ATOM 0 HG13 VAL A 111 9.220 -0.940 15.129 1.00 14.13 H new ATOM 0 HG21 VAL A 111 8.973 1.253 12.960 1.00 34.10 H new ATOM 0 HG22 VAL A 111 8.658 -0.474 12.667 1.00 34.10 H new ATOM 0 HG23 VAL A 111 7.411 0.736 12.281 1.00 34.10 H new ATOM 1562 N VAL A 112 4.339 0.339 14.293 1.00 43.13 N ATOM 1563 CA VAL A 112 3.073 0.675 13.641 1.00 74.03 C ATOM 1564 C VAL A 112 2.929 2.200 13.588 1.00 73.02 C ATOM 1565 O VAL A 112 3.184 2.873 14.593 1.00 2.21 O ATOM 1566 CB VAL A 112 1.923 -0.106 14.319 1.00 53.24 C ATOM 1567 CG1 VAL A 112 1.969 -0.120 15.856 1.00 52.23 C ATOM 1568 CG2 VAL A 112 0.538 0.349 13.848 1.00 44.13 C ATOM 0 H VAL A 112 4.454 0.785 15.203 1.00 43.13 H new ATOM 0 HA VAL A 112 3.039 0.356 12.599 1.00 74.03 H new ATOM 0 HB VAL A 112 2.092 -1.132 13.991 1.00 53.24 H new ATOM 0 HG11 VAL A 112 1.124 -0.691 16.240 1.00 52.23 H new ATOM 0 HG12 VAL A 112 2.899 -0.581 16.188 1.00 52.23 H new ATOM 0 HG13 VAL A 112 1.917 0.902 16.231 1.00 52.23 H new ATOM 0 HG21 VAL A 112 -0.229 -0.234 14.357 1.00 44.13 H new ATOM 0 HG22 VAL A 112 0.404 1.406 14.079 1.00 44.13 H new ATOM 0 HG23 VAL A 112 0.452 0.199 12.772 1.00 44.13 H new ATOM 1578 N ASN A 113 2.490 2.754 12.450 1.00 52.01 N ATOM 1579 CA ASN A 113 2.305 4.193 12.239 1.00 11.40 C ATOM 1580 C ASN A 113 0.869 4.473 11.794 1.00 41.25 C ATOM 1581 O ASN A 113 0.581 4.430 10.597 1.00 52.14 O ATOM 1582 CB ASN A 113 3.312 4.745 11.205 1.00 31.04 C ATOM 1583 CG ASN A 113 4.565 5.323 11.844 1.00 14.32 C ATOM 1584 OD1 ASN A 113 5.307 4.630 12.539 1.00 70.34 O ATOM 1585 ND2 ASN A 113 4.835 6.598 11.634 1.00 4.21 N ATOM 0 H ASN A 113 2.248 2.198 11.630 1.00 52.01 H new ATOM 0 HA ASN A 113 2.492 4.704 13.184 1.00 11.40 H new ATOM 0 HB2 ASN A 113 3.596 3.946 10.520 1.00 31.04 H new ATOM 0 HB3 ASN A 113 2.826 5.517 10.609 1.00 31.04 H new ATOM 0 HD21 ASN A 113 5.666 7.018 12.050 1.00 4.21 H new ATOM 0 HD22 ASN A 113 4.213 7.163 11.056 1.00 4.21 H new ATOM 1592 N GLN A 114 -0.024 4.784 12.736 1.00 21.15 N ATOM 1593 CA GLN A 114 -1.429 5.094 12.476 1.00 41.50 C ATOM 1594 C GLN A 114 -1.642 6.134 11.356 1.00 5.42 C ATOM 1595 O GLN A 114 -2.453 5.853 10.468 1.00 40.52 O ATOM 1596 CB GLN A 114 -2.137 5.562 13.762 1.00 13.13 C ATOM 1597 CG GLN A 114 -2.558 4.406 14.683 1.00 44.23 C ATOM 1598 CD GLN A 114 -3.284 4.895 15.939 1.00 24.23 C ATOM 1599 OE1 GLN A 114 -2.912 4.578 17.068 1.00 33.13 O ATOM 1600 NE2 GLN A 114 -4.354 5.659 15.809 1.00 41.42 N ATOM 0 H GLN A 114 0.218 4.828 13.726 1.00 21.15 H new ATOM 0 HA GLN A 114 -1.872 4.161 12.127 1.00 41.50 H new ATOM 0 HB2 GLN A 114 -1.473 6.230 14.311 1.00 13.13 H new ATOM 0 HB3 GLN A 114 -3.020 6.141 13.491 1.00 13.13 H new ATOM 0 HG2 GLN A 114 -3.208 3.725 14.133 1.00 44.23 H new ATOM 0 HG3 GLN A 114 -1.675 3.838 14.975 1.00 44.23 H new ATOM 0 HE21 GLN A 114 -4.676 5.931 14.880 1.00 41.42 H new ATOM 0 HE22 GLN A 114 -4.858 5.976 16.637 1.00 41.42 H new ATOM 1609 N PRO A 115 -0.968 7.308 11.334 1.00 12.11 N ATOM 1610 CA PRO A 115 -1.192 8.289 10.278 1.00 4.22 C ATOM 1611 C PRO A 115 -0.686 7.797 8.924 1.00 62.23 C ATOM 1612 O PRO A 115 -1.313 8.109 7.916 1.00 21.42 O ATOM 1613 CB PRO A 115 -0.480 9.571 10.722 1.00 33.52 C ATOM 1614 CG PRO A 115 0.643 9.048 11.610 1.00 43.50 C ATOM 1615 CD PRO A 115 0.017 7.825 12.277 1.00 4.21 C ATOM 0 HA PRO A 115 -2.258 8.466 10.135 1.00 4.22 H new ATOM 0 HB2 PRO A 115 -0.094 10.134 9.872 1.00 33.52 H new ATOM 0 HB3 PRO A 115 -1.149 10.237 11.267 1.00 33.52 H new ATOM 0 HG2 PRO A 115 1.526 8.782 11.029 1.00 43.50 H new ATOM 0 HG3 PRO A 115 0.956 9.791 12.343 1.00 43.50 H new ATOM 0 HD2 PRO A 115 0.774 7.073 12.501 1.00 4.21 H new ATOM 0 HD3 PRO A 115 -0.453 8.095 13.223 1.00 4.21 H new ATOM 1623 N PHE A 116 0.418 7.042 8.883 1.00 71.33 N ATOM 1624 CA PHE A 116 0.971 6.520 7.637 1.00 51.25 C ATOM 1625 C PHE A 116 -0.027 5.534 7.032 1.00 32.11 C ATOM 1626 O PHE A 116 -0.358 5.621 5.859 1.00 50.50 O ATOM 1627 CB PHE A 116 2.335 5.869 7.893 1.00 30.23 C ATOM 1628 CG PHE A 116 3.100 5.495 6.640 1.00 24.30 C ATOM 1629 CD1 PHE A 116 2.994 4.199 6.103 1.00 72.55 C ATOM 1630 CD2 PHE A 116 3.927 6.444 6.011 1.00 72.14 C ATOM 1631 CE1 PHE A 116 3.731 3.849 4.957 1.00 73.43 C ATOM 1632 CE2 PHE A 116 4.655 6.094 4.860 1.00 63.02 C ATOM 1633 CZ PHE A 116 4.567 4.793 4.339 1.00 52.12 C ATOM 0 H PHE A 116 0.949 6.779 9.713 1.00 71.33 H new ATOM 0 HA PHE A 116 1.133 7.331 6.926 1.00 51.25 H new ATOM 0 HB2 PHE A 116 2.944 6.553 8.484 1.00 30.23 H new ATOM 0 HB3 PHE A 116 2.188 4.972 8.494 1.00 30.23 H new ATOM 0 HD1 PHE A 116 2.346 3.472 6.571 1.00 72.55 H new ATOM 0 HD2 PHE A 116 4.003 7.443 6.413 1.00 72.14 H new ATOM 0 HE1 PHE A 116 3.654 2.851 4.551 1.00 73.43 H new ATOM 0 HE2 PHE A 116 5.283 6.827 4.376 1.00 63.02 H new ATOM 0 HZ PHE A 116 5.140 4.519 3.466 1.00 52.12 H new ATOM 1643 N ILE A 117 -0.548 4.605 7.836 1.00 34.14 N ATOM 1644 CA ILE A 117 -1.530 3.618 7.388 1.00 4.23 C ATOM 1645 C ILE A 117 -2.758 4.365 6.856 1.00 12.31 C ATOM 1646 O ILE A 117 -3.292 4.028 5.795 1.00 11.23 O ATOM 1647 CB ILE A 117 -1.874 2.688 8.574 1.00 21.13 C ATOM 1648 CG1 ILE A 117 -0.650 1.823 8.933 1.00 32.01 C ATOM 1649 CG2 ILE A 117 -3.082 1.793 8.260 1.00 43.53 C ATOM 1650 CD1 ILE A 117 -0.716 1.258 10.350 1.00 31.22 C ATOM 0 H ILE A 117 -0.299 4.517 8.821 1.00 34.14 H new ATOM 0 HA ILE A 117 -1.139 2.996 6.582 1.00 4.23 H new ATOM 0 HB ILE A 117 -2.140 3.314 9.426 1.00 21.13 H new ATOM 0 HG12 ILE A 117 -0.572 1.000 8.223 1.00 32.01 H new ATOM 0 HG13 ILE A 117 0.255 2.422 8.828 1.00 32.01 H new ATOM 0 HG21 ILE A 117 -3.294 1.153 9.117 1.00 43.53 H new ATOM 0 HG22 ILE A 117 -3.951 2.416 8.049 1.00 43.53 H new ATOM 0 HG23 ILE A 117 -2.860 1.174 7.391 1.00 43.53 H new ATOM 0 HD11 ILE A 117 0.173 0.658 10.544 1.00 31.22 H new ATOM 0 HD12 ILE A 117 -0.764 2.078 11.067 1.00 31.22 H new ATOM 0 HD13 ILE A 117 -1.604 0.634 10.452 1.00 31.22 H new ATOM 1662 N ASN A 118 -3.197 5.391 7.591 1.00 42.01 N ATOM 1663 CA ASN A 118 -4.346 6.190 7.208 1.00 31.31 C ATOM 1664 C ASN A 118 -4.106 6.931 5.884 1.00 24.54 C ATOM 1665 O ASN A 118 -5.026 7.029 5.078 1.00 14.24 O ATOM 1666 CB ASN A 118 -4.722 7.140 8.344 1.00 73.05 C ATOM 1667 CG ASN A 118 -5.982 7.908 7.984 1.00 25.25 C ATOM 1668 OD1 ASN A 118 -7.075 7.341 7.964 1.00 3.42 O ATOM 1669 ND2 ASN A 118 -5.861 9.191 7.708 1.00 73.12 N ATOM 0 H ASN A 118 -2.761 5.684 8.465 1.00 42.01 H new ATOM 0 HA ASN A 118 -5.191 5.524 7.033 1.00 31.31 H new ATOM 0 HB2 ASN A 118 -4.880 6.576 9.263 1.00 73.05 H new ATOM 0 HB3 ASN A 118 -3.904 7.835 8.533 1.00 73.05 H new ATOM 0 HD21 ASN A 118 -6.686 9.741 7.470 1.00 73.12 H new ATOM 0 HD22 ASN A 118 -4.942 9.634 7.733 1.00 73.12 H new ATOM 1676 N GLU A 119 -2.880 7.398 5.615 1.00 13.31 N ATOM 1677 CA GLU A 119 -2.542 8.118 4.385 1.00 54.33 C ATOM 1678 C GLU A 119 -2.774 7.248 3.143 1.00 43.11 C ATOM 1679 O GLU A 119 -3.192 7.766 2.104 1.00 34.34 O ATOM 1680 CB GLU A 119 -1.099 8.682 4.444 1.00 2.03 C ATOM 1681 CG GLU A 119 -0.073 7.899 3.603 1.00 65.52 C ATOM 1682 CD GLU A 119 1.384 8.376 3.744 1.00 63.51 C ATOM 1683 OE1 GLU A 119 1.877 8.676 4.852 1.00 63.30 O ATOM 1684 OE2 GLU A 119 2.056 8.488 2.686 1.00 34.51 O ATOM 0 H GLU A 119 -2.090 7.285 6.251 1.00 13.31 H new ATOM 0 HA GLU A 119 -3.216 8.971 4.301 1.00 54.33 H new ATOM 0 HB2 GLU A 119 -1.113 9.718 4.105 1.00 2.03 H new ATOM 0 HB3 GLU A 119 -0.768 8.691 5.482 1.00 2.03 H new ATOM 0 HG2 GLU A 119 -0.124 6.847 3.883 1.00 65.52 H new ATOM 0 HG3 GLU A 119 -0.361 7.964 2.554 1.00 65.52 H new ATOM 1691 N ILE A 120 -2.491 5.942 3.248 1.00 0.35 N ATOM 1692 CA ILE A 120 -2.655 4.994 2.157 1.00 55.20 C ATOM 1693 C ILE A 120 -4.142 4.925 1.844 1.00 0.31 C ATOM 1694 O ILE A 120 -4.547 5.067 0.689 1.00 65.52 O ATOM 1695 CB ILE A 120 -2.097 3.594 2.533 1.00 21.33 C ATOM 1696 CG1 ILE A 120 -0.609 3.590 2.944 1.00 20.23 C ATOM 1697 CG2 ILE A 120 -2.314 2.566 1.408 1.00 52.44 C ATOM 1698 CD1 ILE A 120 0.358 4.129 1.886 1.00 22.35 C ATOM 0 H ILE A 120 -2.138 5.518 4.106 1.00 0.35 H new ATOM 0 HA ILE A 120 -2.093 5.322 1.283 1.00 55.20 H new ATOM 0 HB ILE A 120 -2.674 3.307 3.412 1.00 21.33 H new ATOM 0 HG12 ILE A 120 -0.497 4.183 3.852 1.00 20.23 H new ATOM 0 HG13 ILE A 120 -0.319 2.569 3.192 1.00 20.23 H new ATOM 0 HG21 ILE A 120 -1.909 1.601 1.713 1.00 52.44 H new ATOM 0 HG22 ILE A 120 -3.381 2.465 1.209 1.00 52.44 H new ATOM 0 HG23 ILE A 120 -1.806 2.903 0.504 1.00 52.44 H new ATOM 0 HD11 ILE A 120 1.378 4.085 2.269 1.00 22.35 H new ATOM 0 HD12 ILE A 120 0.283 3.524 0.983 1.00 22.35 H new ATOM 0 HD13 ILE A 120 0.103 5.163 1.652 1.00 22.35 H new ATOM 1710 N THR A 121 -4.959 4.701 2.877 1.00 4.23 N ATOM 1711 CA THR A 121 -6.396 4.598 2.645 1.00 20.22 C ATOM 1712 C THR A 121 -6.992 5.914 2.160 1.00 15.33 C ATOM 1713 O THR A 121 -7.884 5.866 1.315 1.00 12.41 O ATOM 1714 CB THR A 121 -7.163 3.895 3.776 1.00 71.35 C ATOM 1715 OG1 THR A 121 -8.512 3.700 3.402 1.00 63.34 O ATOM 1716 CG2 THR A 121 -7.141 4.550 5.137 1.00 13.23 C ATOM 0 H THR A 121 -4.662 4.591 3.847 1.00 4.23 H new ATOM 0 HA THR A 121 -6.533 3.909 1.812 1.00 20.22 H new ATOM 0 HB THR A 121 -6.616 2.960 3.900 1.00 71.35 H new ATOM 0 HG1 THR A 121 -8.838 2.858 3.782 1.00 63.34 H new ATOM 0 HG21 THR A 121 -7.720 3.950 5.839 1.00 13.23 H new ATOM 0 HG22 THR A 121 -6.112 4.626 5.488 1.00 13.23 H new ATOM 0 HG23 THR A 121 -7.575 5.547 5.068 1.00 13.23 H new ATOM 1724 N GLN A 122 -6.492 7.076 2.591 1.00 33.25 N ATOM 1725 CA GLN A 122 -7.026 8.349 2.119 1.00 12.32 C ATOM 1726 C GLN A 122 -6.875 8.435 0.599 1.00 21.33 C ATOM 1727 O GLN A 122 -7.723 9.035 -0.061 1.00 70.53 O ATOM 1728 CB GLN A 122 -6.329 9.528 2.807 1.00 32.51 C ATOM 1729 CG GLN A 122 -6.884 9.738 4.218 1.00 61.21 C ATOM 1730 CD GLN A 122 -6.066 10.753 5.005 1.00 13.13 C ATOM 1731 OE1 GLN A 122 -4.844 10.665 5.096 1.00 53.30 O ATOM 1732 NE2 GLN A 122 -6.706 11.718 5.633 1.00 54.23 N ATOM 0 H GLN A 122 -5.726 7.158 3.259 1.00 33.25 H new ATOM 0 HA GLN A 122 -8.084 8.403 2.374 1.00 12.32 H new ATOM 0 HB2 GLN A 122 -5.256 9.343 2.857 1.00 32.51 H new ATOM 0 HB3 GLN A 122 -6.469 10.434 2.217 1.00 32.51 H new ATOM 0 HG2 GLN A 122 -7.918 10.076 4.155 1.00 61.21 H new ATOM 0 HG3 GLN A 122 -6.892 8.787 4.750 1.00 61.21 H new ATOM 0 HE21 GLN A 122 -7.721 11.791 5.557 1.00 54.23 H new ATOM 0 HE22 GLN A 122 -6.187 12.393 6.195 1.00 54.23 H new ATOM 1741 N LEU A 123 -5.810 7.862 0.027 1.00 13.41 N ATOM 1742 CA LEU A 123 -5.597 7.877 -1.414 1.00 12.21 C ATOM 1743 C LEU A 123 -6.560 6.899 -2.091 1.00 24.41 C ATOM 1744 O LEU A 123 -7.173 7.295 -3.082 1.00 52.21 O ATOM 1745 CB LEU A 123 -4.130 7.590 -1.755 1.00 71.31 C ATOM 1746 CG LEU A 123 -3.217 8.795 -1.467 1.00 3.13 C ATOM 1747 CD1 LEU A 123 -1.763 8.338 -1.374 1.00 32.22 C ATOM 1748 CD2 LEU A 123 -3.325 9.880 -2.545 1.00 14.22 C ATOM 0 H LEU A 123 -5.080 7.380 0.551 1.00 13.41 H new ATOM 0 HA LEU A 123 -5.813 8.873 -1.800 1.00 12.21 H new ATOM 0 HB2 LEU A 123 -3.787 6.731 -1.179 1.00 71.31 H new ATOM 0 HB3 LEU A 123 -4.050 7.320 -2.808 1.00 71.31 H new ATOM 0 HG LEU A 123 -3.546 9.223 -0.520 1.00 3.13 H new ATOM 0 HD11 LEU A 123 -1.124 9.197 -1.170 1.00 32.22 H new ATOM 0 HD12 LEU A 123 -1.661 7.611 -0.569 1.00 32.22 H new ATOM 0 HD13 LEU A 123 -1.465 7.880 -2.317 1.00 32.22 H new ATOM 0 HD21 LEU A 123 -2.662 10.708 -2.295 1.00 14.22 H new ATOM 0 HD22 LEU A 123 -3.038 9.463 -3.511 1.00 14.22 H new ATOM 0 HD23 LEU A 123 -4.352 10.241 -2.596 1.00 14.22 H new ATOM 1760 N VAL A 124 -6.734 5.666 -1.584 1.00 44.10 N ATOM 1761 CA VAL A 124 -7.663 4.704 -2.189 1.00 13.34 C ATOM 1762 C VAL A 124 -9.080 5.298 -2.140 1.00 3.21 C ATOM 1763 O VAL A 124 -9.837 5.208 -3.106 1.00 15.20 O ATOM 1764 CB VAL A 124 -7.670 3.361 -1.423 1.00 70.40 C ATOM 1765 CG1 VAL A 124 -8.529 2.302 -2.136 1.00 50.31 C ATOM 1766 CG2 VAL A 124 -6.305 2.707 -1.197 1.00 53.20 C ATOM 0 H VAL A 124 -6.244 5.316 -0.760 1.00 44.10 H new ATOM 0 HA VAL A 124 -7.343 4.515 -3.214 1.00 13.34 H new ATOM 0 HB VAL A 124 -8.074 3.656 -0.454 1.00 70.40 H new ATOM 0 HG11 VAL A 124 -8.508 1.373 -1.566 1.00 50.31 H new ATOM 0 HG12 VAL A 124 -9.556 2.658 -2.212 1.00 50.31 H new ATOM 0 HG13 VAL A 124 -8.132 2.124 -3.135 1.00 50.31 H new ATOM 0 HG21 VAL A 124 -6.435 1.773 -0.651 1.00 53.20 H new ATOM 0 HG22 VAL A 124 -5.836 2.502 -2.159 1.00 53.20 H new ATOM 0 HG23 VAL A 124 -5.670 3.379 -0.620 1.00 53.20 H new ATOM 1776 N SER A 125 -9.436 5.892 -0.999 1.00 32.25 N ATOM 1777 CA SER A 125 -10.717 6.507 -0.725 1.00 41.23 C ATOM 1778 C SER A 125 -10.951 7.640 -1.710 1.00 70.34 C ATOM 1779 O SER A 125 -11.933 7.585 -2.445 1.00 42.01 O ATOM 1780 CB SER A 125 -10.711 6.955 0.747 1.00 34.32 C ATOM 1781 OG SER A 125 -11.965 7.420 1.195 1.00 30.42 O ATOM 0 H SER A 125 -8.798 5.955 -0.206 1.00 32.25 H new ATOM 0 HA SER A 125 -11.548 5.815 -0.860 1.00 41.23 H new ATOM 0 HB2 SER A 125 -10.397 6.119 1.372 1.00 34.32 H new ATOM 0 HB3 SER A 125 -9.971 7.745 0.876 1.00 34.32 H new ATOM 0 HG SER A 125 -11.898 7.688 2.135 1.00 30.42 H new ATOM 1787 N MET A 126 -10.018 8.581 -1.841 1.00 42.53 N ATOM 1788 CA MET A 126 -10.192 9.690 -2.762 1.00 51.32 C ATOM 1789 C MET A 126 -10.340 9.205 -4.204 1.00 62.12 C ATOM 1790 O MET A 126 -11.172 9.747 -4.929 1.00 12.14 O ATOM 1791 CB MET A 126 -9.008 10.651 -2.620 1.00 31.31 C ATOM 1792 CG MET A 126 -9.128 11.848 -3.567 1.00 61.34 C ATOM 1793 SD MET A 126 -7.909 13.162 -3.291 1.00 15.24 S ATOM 1794 CE MET A 126 -6.394 12.256 -3.688 1.00 14.24 C ATOM 0 H MET A 126 -9.140 8.594 -1.322 1.00 42.53 H new ATOM 0 HA MET A 126 -11.114 10.215 -2.511 1.00 51.32 H new ATOM 0 HB2 MET A 126 -8.950 11.006 -1.591 1.00 31.31 H new ATOM 0 HB3 MET A 126 -8.080 10.117 -2.825 1.00 31.31 H new ATOM 0 HG2 MET A 126 -9.032 11.493 -4.593 1.00 61.34 H new ATOM 0 HG3 MET A 126 -10.127 12.272 -3.469 1.00 61.34 H new ATOM 0 HE1 MET A 126 -5.750 12.878 -4.309 1.00 14.24 H new ATOM 0 HE2 MET A 126 -5.871 11.999 -2.766 1.00 14.24 H new ATOM 0 HE3 MET A 126 -6.647 11.343 -4.228 1.00 14.24 H new ATOM 1804 N PHE A 127 -9.571 8.191 -4.616 1.00 13.30 N ATOM 1805 CA PHE A 127 -9.614 7.675 -5.973 1.00 72.32 C ATOM 1806 C PHE A 127 -10.944 6.984 -6.278 1.00 13.03 C ATOM 1807 O PHE A 127 -11.584 7.249 -7.300 1.00 72.55 O ATOM 1808 CB PHE A 127 -8.419 6.730 -6.163 1.00 32.44 C ATOM 1809 CG PHE A 127 -8.077 6.362 -7.596 1.00 14.34 C ATOM 1810 CD1 PHE A 127 -6.880 6.839 -8.163 1.00 24.54 C ATOM 1811 CD2 PHE A 127 -8.914 5.520 -8.356 1.00 24.44 C ATOM 1812 CE1 PHE A 127 -6.519 6.475 -9.470 1.00 70.21 C ATOM 1813 CE2 PHE A 127 -8.539 5.138 -9.653 1.00 61.43 C ATOM 1814 CZ PHE A 127 -7.341 5.612 -10.212 1.00 63.15 C ATOM 0 H PHE A 127 -8.904 7.711 -4.012 1.00 13.30 H new ATOM 0 HA PHE A 127 -9.543 8.500 -6.681 1.00 72.32 H new ATOM 0 HB2 PHE A 127 -7.542 7.191 -5.709 1.00 32.44 H new ATOM 0 HB3 PHE A 127 -8.618 5.811 -5.611 1.00 32.44 H new ATOM 0 HD1 PHE A 127 -6.236 7.489 -7.589 1.00 24.54 H new ATOM 0 HD2 PHE A 127 -9.846 5.168 -7.939 1.00 24.44 H new ATOM 0 HE1 PHE A 127 -5.608 6.859 -9.905 1.00 70.21 H new ATOM 0 HE2 PHE A 127 -9.174 4.477 -10.224 1.00 61.43 H new ATOM 0 HZ PHE A 127 -7.053 5.314 -11.209 1.00 63.15 H new ATOM 1824 N ALA A 128 -11.369 6.077 -5.399 1.00 14.23 N ATOM 1825 CA ALA A 128 -12.597 5.323 -5.583 1.00 13.52 C ATOM 1826 C ALA A 128 -13.855 6.171 -5.359 1.00 71.23 C ATOM 1827 O ALA A 128 -14.777 6.110 -6.165 1.00 42.55 O ATOM 1828 CB ALA A 128 -12.558 4.088 -4.680 1.00 73.31 C ATOM 0 H ALA A 128 -10.868 5.848 -4.541 1.00 14.23 H new ATOM 0 HA ALA A 128 -12.658 5.003 -6.623 1.00 13.52 H new ATOM 0 HB1 ALA A 128 -13.475 3.514 -4.809 1.00 73.31 H new ATOM 0 HB2 ALA A 128 -11.701 3.469 -4.947 1.00 73.31 H new ATOM 0 HB3 ALA A 128 -12.469 4.401 -3.640 1.00 73.31 H new ATOM 1834 N GLN A 129 -13.923 6.952 -4.277 1.00 22.43 N ATOM 1835 CA GLN A 129 -15.079 7.792 -3.962 1.00 12.43 C ATOM 1836 C GLN A 129 -15.172 9.039 -4.854 1.00 22.14 C ATOM 1837 O GLN A 129 -16.264 9.593 -4.998 1.00 10.40 O ATOM 1838 CB GLN A 129 -15.021 8.270 -2.499 1.00 53.24 C ATOM 1839 CG GLN A 129 -14.946 7.188 -1.403 1.00 0.43 C ATOM 1840 CD GLN A 129 -16.129 6.228 -1.230 1.00 55.43 C ATOM 1841 OE1 GLN A 129 -16.032 5.273 -0.455 1.00 14.02 O ATOM 1842 NE2 GLN A 129 -17.260 6.421 -1.889 1.00 0.53 N ATOM 0 H GLN A 129 -13.171 7.019 -3.591 1.00 22.43 H new ATOM 0 HA GLN A 129 -15.954 7.167 -4.138 1.00 12.43 H new ATOM 0 HB2 GLN A 129 -14.153 8.920 -2.391 1.00 53.24 H new ATOM 0 HB3 GLN A 129 -15.903 8.882 -2.309 1.00 53.24 H new ATOM 0 HG2 GLN A 129 -14.058 6.586 -1.594 1.00 0.43 H new ATOM 0 HG3 GLN A 129 -14.789 7.694 -0.450 1.00 0.43 H new ATOM 0 HE21 GLN A 129 -17.348 7.208 -2.531 1.00 0.53 H new ATOM 0 HE22 GLN A 129 -18.044 5.782 -1.754 1.00 0.53 H new