USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 849 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 121 THR OG1 : rot -80:sc= 0.949 USER MOD Set 1.2: A 122 GLN : amide:sc= 0.00864 X(o=0.96,f=0.67) USER MOD Set 2.1: A 114 GLN : amide:sc= -0.032 X(o=-0.27,f=-0.27) USER MOD Set 2.2: A 118 ASN : amide:sc= -0.242 K(o=-0.27,f=-0.89) USER MOD Set 3.1: A 103 ASN : amide:sc= 0.652 K(o=1.3,f=-1.1) USER MOD Set 3.2: A 107 GLN : amide:sc= 0.689 K(o=1.3,f=-0.46) USER MOD Set 4.1: A 91 SER OG : rot 180:sc=-0.00636 USER MOD Set 4.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 67 GLN : amide:sc= -0.57 K(o=-2.2,f=-3.6!) USER MOD Set 5.2: A 71 MET CE :methyl -171:sc= -1.59 (180deg=-1.67) USER MOD Set 6.1: A 62 SER OG : rot -160:sc= 0.329 USER MOD Set 6.2: A 65 LYS NZ :NH3+ 163:sc= 0.345 (180deg=0) USER MOD Set 7.1: A 30 MET CE :methyl -177:sc= -0.761 (180deg=-0.856) USER MOD Set 7.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 8.1: A 28 SER OG : rot -89:sc= 0.776 USER MOD Set 8.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -19:sc= -0.233 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -2.1! C(o=-2.1!,f=-10!) USER MOD Single : A 18 ASN : amide:sc= 0.992 K(o=0.99,f=-0.33) USER MOD Single : A 20 MET CE :methyl -148:sc= 0 (180deg=-1.59) USER MOD Single : A 21 ASN : amide:sc= 1.18 K(o=1.2,f=-0.00094) USER MOD Single : A 22 SER OG : rot 160:sc= -0.0933 USER MOD Single : A 24 MET CE :methyl -148:sc= -0.0189 (180deg=-0.839) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.157 K(o=0.16,f=-3!) USER MOD Single : A 41 MET CE :methyl -155:sc= -0.194 (180deg=-0.954) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 74:sc= 0.324 USER MOD Single : A 46 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.17) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -169:sc= -2.06 (180deg=-3.19) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0707 K(o=-0.071,f=-1.1) USER MOD Single : A 54 SER OG : rot 75:sc= 1.13 USER MOD Single : A 58 GLN :FLIP amide:sc=-0.000817 F(o=-0.91,f=-0.00082) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= 0.883 K(o=0.88,f=-0.15) USER MOD Single : A 75 SER OG : rot -82:sc= 0.378 USER MOD Single : A 76 SER OG : rot 75:sc= 1.21 USER MOD Single : A 77 MET CE :methyl -175:sc= -1.19 (180deg=-1.31) USER MOD Single : A 89 SER OG : rot 26:sc= 0.178 USER MOD Single : A 93 LYS NZ :NH3+ 135:sc= 1.25 (180deg=0.419) USER MOD Single : A 94 THR OG1 : rot -79:sc= 0.624 USER MOD Single : A 95 SER OG : rot 100:sc= 1.34 USER MOD Single : A 96 SER OG : rot 168:sc= 0.89 USER MOD Single : A 101 MET CE :methyl 173:sc= -1.74 (180deg=-2.07) USER MOD Single : A 102 SER OG : rot -82:sc= 1.01 USER MOD Single : A 108 THR OG1 : rot -81:sc= -0.884! USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.4 K(o=-0.4,f=-8.3!) USER MOD Single : A 125 SER OG : rot 88:sc= -0.708 USER MOD Single : A 126 MET CE :methyl 154:sc= -0.174 (180deg=-0.94) USER MOD Single : A 129 GLN : amide:sc= -0.722 K(o=-0.72,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 13.660 0.481 -8.624 1.00 0.00 N ATOM 82 CA THR A 8 14.734 0.562 -9.593 1.00 0.00 C ATOM 83 C THR A 8 15.948 -0.232 -9.129 1.00 0.00 C ATOM 84 O THR A 8 16.294 -0.223 -7.947 1.00 0.00 O ATOM 85 CB THR A 8 15.149 2.024 -9.833 1.00 0.00 C ATOM 86 OG1 THR A 8 15.186 2.729 -8.587 1.00 0.00 O ATOM 87 CG2 THR A 8 14.197 2.715 -10.793 1.00 0.00 C ATOM 0 HA THR A 8 14.363 0.137 -10.525 1.00 0.00 H new ATOM 0 HB THR A 8 16.142 2.027 -10.282 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.668 2.236 -7.917 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.516 3.746 -10.943 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.201 2.192 -11.749 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.189 2.704 -10.377 1.00 0.00 H new ATOM 95 N PRO A 9 16.619 -0.934 -10.055 1.00 0.00 N ATOM 96 CA PRO A 9 17.848 -1.668 -9.743 1.00 0.00 C ATOM 97 C PRO A 9 19.003 -0.727 -9.412 1.00 0.00 C ATOM 98 O PRO A 9 20.058 -1.157 -8.950 1.00 0.00 O ATOM 99 CB PRO A 9 18.140 -2.452 -11.028 1.00 0.00 C ATOM 100 CG PRO A 9 17.433 -1.706 -12.108 1.00 0.00 C ATOM 101 CD PRO A 9 16.226 -1.081 -11.468 1.00 0.00 C ATOM 0 HA PRO A 9 17.734 -2.305 -8.866 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.211 -2.506 -11.222 1.00 0.00 H new ATOM 0 HB3 PRO A 9 17.778 -3.477 -10.955 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.081 -0.945 -12.543 1.00 0.00 H new ATOM 0 HG3 PRO A 9 17.141 -2.376 -12.917 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.986 -0.118 -11.920 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.344 -1.712 -11.575 1.00 0.00 H new ATOM 109 N TRP A 10 18.783 0.566 -9.634 1.00 0.00 N ATOM 110 CA TRP A 10 19.822 1.565 -9.431 1.00 0.00 C ATOM 111 C TRP A 10 19.716 2.177 -8.032 1.00 0.00 C ATOM 112 O TRP A 10 20.468 3.087 -7.687 1.00 0.00 O ATOM 113 CB TRP A 10 19.713 2.683 -10.476 1.00 0.00 C ATOM 114 CG TRP A 10 19.405 2.225 -11.878 1.00 0.00 C ATOM 115 CD1 TRP A 10 18.532 2.821 -12.743 1.00 0.00 C ATOM 116 CD2 TRP A 10 19.948 1.092 -12.578 1.00 0.00 C ATOM 117 NE1 TRP A 10 18.499 2.135 -13.932 1.00 0.00 N ATOM 118 CE2 TRP A 10 19.354 1.070 -13.855 1.00 0.00 C ATOM 119 CE3 TRP A 10 20.873 0.094 -12.253 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.655 0.097 -14.803 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.169 -0.873 -13.194 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.563 -0.865 -14.457 1.00 0.00 C ATOM 0 H TRP A 10 17.892 0.945 -9.955 1.00 0.00 H new ATOM 0 HA TRP A 10 20.785 1.066 -9.536 1.00 0.00 H new ATOM 0 HB2 TRP A 10 18.936 3.379 -10.160 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.651 3.237 -10.490 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.951 3.705 -12.523 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.929 2.380 -14.742 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.348 0.080 -11.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 19.188 0.101 -15.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 21.880 -1.649 -12.952 1.00 0.00 H new ATOM 0 HH2 TRP A 10 20.818 -1.634 -15.171 1.00 0.00 H new ATOM 133 N THR A 11 18.776 1.677 -7.231 1.00 0.00 N ATOM 134 CA THR A 11 18.537 2.224 -5.899 1.00 0.00 C ATOM 135 C THR A 11 19.684 1.880 -4.952 1.00 0.00 C ATOM 136 O THR A 11 19.938 2.594 -3.979 1.00 0.00 O ATOM 137 CB THR A 11 17.205 1.705 -5.306 1.00 0.00 C ATOM 138 OG1 THR A 11 16.866 2.442 -4.122 1.00 0.00 O ATOM 139 CG2 THR A 11 17.287 0.221 -4.970 1.00 0.00 C ATOM 0 H THR A 11 18.170 0.896 -7.482 1.00 0.00 H new ATOM 0 HA THR A 11 18.474 3.307 -6.004 1.00 0.00 H new ATOM 0 HB THR A 11 16.432 1.848 -6.061 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.021 2.105 -3.758 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.335 -0.111 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.506 -0.345 -5.875 1.00 0.00 H new ATOM 0 HG23 THR A 11 18.078 0.057 -4.239 1.00 0.00 H new ATOM 147 N ASN A 12 20.372 0.785 -5.245 1.00 0.00 N ATOM 148 CA ASN A 12 21.487 0.340 -4.424 1.00 0.00 C ATOM 149 C ASN A 12 22.692 0.033 -5.285 1.00 0.00 C ATOM 150 O ASN A 12 22.599 -0.683 -6.282 1.00 0.00 O ATOM 151 CB ASN A 12 21.072 -0.877 -3.590 1.00 0.00 C ATOM 152 CG ASN A 12 22.202 -1.611 -2.881 1.00 0.00 C ATOM 153 OD1 ASN A 12 23.183 -1.024 -2.437 1.00 0.00 O ATOM 154 ND2 ASN A 12 22.055 -2.921 -2.756 1.00 0.00 N ATOM 0 H ASN A 12 20.176 0.188 -6.048 1.00 0.00 H new ATOM 0 HA ASN A 12 21.766 1.142 -3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 12 20.350 -0.552 -2.841 1.00 0.00 H new ATOM 0 HB3 ASN A 12 20.559 -1.583 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 12 22.769 -3.471 -2.279 1.00 0.00 H new ATOM 0 HD22 ASN A 12 21.227 -3.380 -3.136 1.00 0.00 H new ATOM 161 N PRO A 13 23.833 0.587 -4.892 1.00 0.00 N ATOM 162 CA PRO A 13 25.096 0.420 -5.607 1.00 0.00 C ATOM 163 C PRO A 13 25.514 -1.042 -5.643 1.00 0.00 C ATOM 164 O PRO A 13 26.038 -1.533 -6.644 1.00 0.00 O ATOM 165 CB PRO A 13 26.090 1.258 -4.793 1.00 0.00 C ATOM 166 CG PRO A 13 25.448 1.465 -3.463 1.00 0.00 C ATOM 167 CD PRO A 13 23.970 1.413 -3.688 1.00 0.00 C ATOM 0 HA PRO A 13 25.035 0.734 -6.649 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.045 0.743 -4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 13 26.292 2.211 -5.283 1.00 0.00 H new ATOM 0 HG2 PRO A 13 25.760 0.694 -2.758 1.00 0.00 H new ATOM 0 HG3 PRO A 13 25.741 2.424 -3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 13 23.450 0.971 -2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 13 23.552 2.409 -3.835 1.00 0.00 H new ATOM 175 N GLY A 14 25.245 -1.734 -4.542 1.00 0.00 N ATOM 176 CA GLY A 14 25.500 -3.153 -4.467 1.00 0.00 C ATOM 177 C GLY A 14 24.686 -3.918 -5.483 1.00 0.00 C ATOM 178 O GLY A 14 25.163 -4.865 -6.099 1.00 0.00 O ATOM 0 H GLY A 14 24.851 -1.328 -3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 14 26.561 -3.342 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 14 25.265 -3.513 -3.466 1.00 0.00 H new ATOM 182 N LEU A 15 23.455 -3.480 -5.675 1.00 0.00 N ATOM 183 CA LEU A 15 22.541 -4.146 -6.584 1.00 0.00 C ATOM 184 C LEU A 15 22.939 -3.877 -8.032 1.00 0.00 C ATOM 185 O LEU A 15 23.002 -4.795 -8.845 1.00 0.00 O ATOM 186 CB LEU A 15 21.108 -3.663 -6.322 1.00 0.00 C ATOM 187 CG LEU A 15 20.020 -4.292 -7.195 1.00 0.00 C ATOM 188 CD1 LEU A 15 20.070 -5.806 -7.109 1.00 0.00 C ATOM 189 CD2 LEU A 15 18.652 -3.786 -6.772 1.00 0.00 C ATOM 0 H LEU A 15 23.064 -2.661 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 15 22.590 -5.221 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.865 -3.857 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.078 -2.582 -6.461 1.00 0.00 H new ATOM 0 HG LEU A 15 20.199 -4.002 -8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.288 -6.232 -7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.043 -6.158 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.915 -6.117 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.886 -4.240 -7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.472 -4.052 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.615 -2.702 -6.881 1.00 0.00 H new ATOM 201 N ALA A 16 23.230 -2.616 -8.330 1.00 0.00 N ATOM 202 CA ALA A 16 23.590 -2.203 -9.680 1.00 0.00 C ATOM 203 C ALA A 16 24.846 -2.914 -10.171 1.00 0.00 C ATOM 204 O ALA A 16 24.881 -3.433 -11.288 1.00 0.00 O ATOM 205 CB ALA A 16 23.785 -0.696 -9.726 1.00 0.00 C ATOM 0 H ALA A 16 23.223 -1.857 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 16 22.773 -2.483 -10.345 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.054 -0.395 -10.738 1.00 0.00 H new ATOM 0 HB2 ALA A 16 22.859 -0.200 -9.434 1.00 0.00 H new ATOM 0 HB3 ALA A 16 24.582 -0.411 -9.039 1.00 0.00 H new ATOM 211 N GLU A 17 25.869 -2.950 -9.326 1.00 0.00 N ATOM 212 CA GLU A 17 27.137 -3.567 -9.691 1.00 0.00 C ATOM 213 C GLU A 17 26.946 -5.049 -10.013 1.00 0.00 C ATOM 214 O GLU A 17 27.463 -5.552 -11.015 1.00 0.00 O ATOM 215 CB GLU A 17 28.146 -3.393 -8.558 1.00 0.00 C ATOM 216 CG GLU A 17 29.551 -3.840 -8.926 1.00 0.00 C ATOM 217 CD GLU A 17 30.529 -3.677 -7.786 1.00 0.00 C ATOM 218 OE1 GLU A 17 31.068 -2.567 -7.611 1.00 0.00 O ATOM 219 OE2 GLU A 17 30.770 -4.662 -7.058 1.00 0.00 O ATOM 0 H GLU A 17 25.845 -2.559 -8.384 1.00 0.00 H new ATOM 0 HA GLU A 17 27.519 -3.073 -10.584 1.00 0.00 H new ATOM 0 HB2 GLU A 17 28.172 -2.344 -8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 17 27.808 -3.960 -7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.527 -4.886 -9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 17 29.899 -3.264 -9.784 1.00 0.00 H new ATOM 226 N ASN A 18 26.185 -5.742 -9.171 1.00 0.00 N ATOM 227 CA ASN A 18 25.920 -7.159 -9.370 1.00 0.00 C ATOM 228 C ASN A 18 25.019 -7.385 -10.578 1.00 0.00 C ATOM 229 O ASN A 18 25.134 -8.402 -11.264 1.00 0.00 O ATOM 230 CB ASN A 18 25.274 -7.768 -8.125 1.00 0.00 C ATOM 231 CG ASN A 18 26.271 -8.079 -7.027 1.00 0.00 C ATOM 232 OD1 ASN A 18 26.859 -9.162 -6.995 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.451 -7.146 -6.110 1.00 0.00 N ATOM 0 H ASN A 18 25.741 -5.343 -8.344 1.00 0.00 H new ATOM 0 HA ASN A 18 26.876 -7.650 -9.552 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.522 -7.079 -7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.754 -8.684 -8.405 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.097 -7.308 -5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.944 -6.263 -6.174 1.00 0.00 H new ATOM 240 N PHE A 19 24.127 -6.434 -10.834 1.00 0.00 N ATOM 241 CA PHE A 19 23.207 -6.528 -11.958 1.00 0.00 C ATOM 242 C PHE A 19 23.977 -6.594 -13.271 1.00 0.00 C ATOM 243 O PHE A 19 23.765 -7.500 -14.072 1.00 0.00 O ATOM 244 CB PHE A 19 22.238 -5.341 -11.962 1.00 0.00 C ATOM 245 CG PHE A 19 21.204 -5.403 -13.056 1.00 0.00 C ATOM 246 CD1 PHE A 19 20.118 -6.259 -12.952 1.00 0.00 C ATOM 247 CD2 PHE A 19 21.317 -4.607 -14.188 1.00 0.00 C ATOM 248 CE1 PHE A 19 19.166 -6.319 -13.953 1.00 0.00 C ATOM 249 CE2 PHE A 19 20.365 -4.665 -15.193 1.00 0.00 C ATOM 250 CZ PHE A 19 19.290 -5.521 -15.073 1.00 0.00 C ATOM 0 H PHE A 19 24.023 -5.587 -10.275 1.00 0.00 H new ATOM 0 HA PHE A 19 22.626 -7.444 -11.852 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.731 -5.295 -10.998 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.809 -4.418 -12.067 1.00 0.00 H new ATOM 0 HD1 PHE A 19 20.015 -6.886 -12.079 1.00 0.00 H new ATOM 0 HD2 PHE A 19 22.157 -3.935 -14.286 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.325 -6.990 -13.859 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.464 -4.041 -16.069 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.546 -5.567 -15.854 1.00 0.00 H new ATOM 260 N MET A 20 24.885 -5.644 -13.477 1.00 0.00 N ATOM 261 CA MET A 20 25.719 -5.634 -14.677 1.00 0.00 C ATOM 262 C MET A 20 26.596 -6.877 -14.749 1.00 0.00 C ATOM 263 O MET A 20 26.841 -7.410 -15.833 1.00 0.00 O ATOM 264 CB MET A 20 26.596 -4.380 -14.732 1.00 0.00 C ATOM 265 CG MET A 20 25.916 -3.179 -15.368 1.00 0.00 C ATOM 266 SD MET A 20 24.483 -2.598 -14.445 1.00 0.00 S ATOM 267 CE MET A 20 23.978 -1.215 -15.463 1.00 0.00 C ATOM 0 H MET A 20 25.062 -4.874 -12.832 1.00 0.00 H new ATOM 0 HA MET A 20 25.047 -5.629 -15.535 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.901 -4.118 -13.719 1.00 0.00 H new ATOM 0 HB3 MET A 20 27.504 -4.608 -15.290 1.00 0.00 H new ATOM 0 HG2 MET A 20 26.637 -2.366 -15.455 1.00 0.00 H new ATOM 0 HG3 MET A 20 25.606 -3.440 -16.380 1.00 0.00 H new ATOM 0 HE1 MET A 20 23.537 -0.442 -14.834 1.00 0.00 H new ATOM 0 HE2 MET A 20 24.846 -0.809 -15.982 1.00 0.00 H new ATOM 0 HE3 MET A 20 23.243 -1.551 -16.194 1.00 0.00 H new ATOM 277 N ASN A 21 27.058 -7.344 -13.595 1.00 0.00 N ATOM 278 CA ASN A 21 27.884 -8.537 -13.533 1.00 0.00 C ATOM 279 C ASN A 21 27.134 -9.743 -14.082 1.00 0.00 C ATOM 280 O ASN A 21 27.625 -10.435 -14.972 1.00 0.00 O ATOM 281 CB ASN A 21 28.325 -8.805 -12.095 1.00 0.00 C ATOM 282 CG ASN A 21 29.718 -8.279 -11.797 1.00 0.00 C ATOM 283 OD1 ASN A 21 30.712 -8.974 -12.006 1.00 0.00 O ATOM 284 ND2 ASN A 21 29.802 -7.057 -11.298 1.00 0.00 N ATOM 0 H ASN A 21 26.873 -6.912 -12.690 1.00 0.00 H new ATOM 0 HA ASN A 21 28.768 -8.370 -14.148 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.614 -8.344 -11.410 1.00 0.00 H new ATOM 0 HB3 ASN A 21 28.299 -9.878 -11.906 1.00 0.00 H new ATOM 0 HD21 ASN A 21 30.714 -6.660 -11.072 1.00 0.00 H new ATOM 0 HD22 ASN A 21 28.955 -6.512 -11.139 1.00 0.00 H new ATOM 291 N SER A 22 25.936 -9.976 -13.565 1.00 0.00 N ATOM 292 CA SER A 22 25.118 -11.098 -14.002 1.00 0.00 C ATOM 293 C SER A 22 24.611 -10.865 -15.426 1.00 0.00 C ATOM 294 O SER A 22 24.466 -11.809 -16.205 1.00 0.00 O ATOM 295 CB SER A 22 23.948 -11.297 -13.030 1.00 0.00 C ATOM 296 OG SER A 22 23.183 -12.446 -13.355 1.00 0.00 O ATOM 0 H SER A 22 25.508 -9.401 -12.840 1.00 0.00 H new ATOM 0 HA SER A 22 25.725 -12.003 -14.005 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.331 -11.391 -12.014 1.00 0.00 H new ATOM 0 HB3 SER A 22 23.306 -10.416 -13.048 1.00 0.00 H new ATOM 0 HG SER A 22 22.667 -12.728 -12.571 1.00 0.00 H new ATOM 302 N PHE A 23 24.373 -9.600 -15.763 1.00 0.00 N ATOM 303 CA PHE A 23 23.886 -9.226 -17.086 1.00 0.00 C ATOM 304 C PHE A 23 24.810 -9.746 -18.181 1.00 0.00 C ATOM 305 O PHE A 23 24.373 -10.472 -19.073 1.00 0.00 O ATOM 306 CB PHE A 23 23.750 -7.702 -17.197 1.00 0.00 C ATOM 307 CG PHE A 23 23.289 -7.224 -18.549 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.978 -7.410 -18.956 1.00 0.00 C ATOM 309 CD2 PHE A 23 24.169 -6.588 -19.412 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.555 -6.971 -20.197 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.750 -6.146 -20.650 1.00 0.00 C ATOM 312 CZ PHE A 23 22.443 -6.338 -21.044 1.00 0.00 C ATOM 0 H PHE A 23 24.511 -8.811 -15.131 1.00 0.00 H new ATOM 0 HA PHE A 23 22.905 -9.682 -17.220 1.00 0.00 H new ATOM 0 HB2 PHE A 23 23.046 -7.355 -16.441 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.713 -7.244 -16.970 1.00 0.00 H new ATOM 0 HD1 PHE A 23 21.279 -7.903 -18.297 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.195 -6.437 -19.111 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.531 -7.123 -20.504 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.446 -5.650 -21.310 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.114 -5.994 -22.013 1.00 0.00 H new ATOM 322 N MET A 24 26.090 -9.394 -18.096 1.00 0.00 N ATOM 323 CA MET A 24 27.043 -9.758 -19.140 1.00 0.00 C ATOM 324 C MET A 24 27.219 -11.272 -19.203 1.00 0.00 C ATOM 325 O MET A 24 27.434 -11.837 -20.275 1.00 0.00 O ATOM 326 CB MET A 24 28.413 -9.104 -18.910 1.00 0.00 C ATOM 327 CG MET A 24 28.371 -7.617 -18.576 1.00 0.00 C ATOM 328 SD MET A 24 27.333 -6.650 -19.693 1.00 0.00 S ATOM 329 CE MET A 24 28.018 -7.068 -21.290 1.00 0.00 C ATOM 0 H MET A 24 26.489 -8.862 -17.322 1.00 0.00 H new ATOM 0 HA MET A 24 26.637 -9.395 -20.084 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.917 -9.629 -18.099 1.00 0.00 H new ATOM 0 HB3 MET A 24 29.020 -9.243 -19.805 1.00 0.00 H new ATOM 0 HG2 MET A 24 28.006 -7.493 -17.557 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.386 -7.219 -18.602 1.00 0.00 H new ATOM 0 HE1 MET A 24 27.922 -6.215 -21.962 1.00 0.00 H new ATOM 0 HE2 MET A 24 29.071 -7.325 -21.178 1.00 0.00 H new ATOM 0 HE3 MET A 24 27.479 -7.920 -21.705 1.00 0.00 H new ATOM 339 N GLN A 25 27.115 -11.923 -18.047 1.00 0.00 N ATOM 340 CA GLN A 25 27.277 -13.372 -17.958 1.00 0.00 C ATOM 341 C GLN A 25 26.215 -14.093 -18.780 1.00 0.00 C ATOM 342 O GLN A 25 26.487 -15.121 -19.397 1.00 0.00 O ATOM 343 CB GLN A 25 27.208 -13.834 -16.503 1.00 0.00 C ATOM 344 CG GLN A 25 28.375 -13.355 -15.658 1.00 0.00 C ATOM 345 CD GLN A 25 28.228 -13.745 -14.203 1.00 0.00 C ATOM 346 OE1 GLN A 25 27.621 -14.768 -13.882 1.00 0.00 O ATOM 347 NE2 GLN A 25 28.777 -12.937 -13.314 1.00 0.00 N ATOM 0 H GLN A 25 26.918 -11.468 -17.156 1.00 0.00 H new ATOM 0 HA GLN A 25 28.258 -13.621 -18.363 1.00 0.00 H new ATOM 0 HB2 GLN A 25 26.278 -13.476 -16.060 1.00 0.00 H new ATOM 0 HB3 GLN A 25 27.174 -14.923 -16.477 1.00 0.00 H new ATOM 0 HG2 GLN A 25 29.302 -13.772 -16.052 1.00 0.00 H new ATOM 0 HG3 GLN A 25 28.456 -12.271 -15.735 1.00 0.00 H new ATOM 0 HE21 GLN A 25 29.271 -12.100 -13.622 1.00 0.00 H new ATOM 0 HE22 GLN A 25 28.707 -13.150 -12.319 1.00 0.00 H new ATOM 356 N GLY A 26 25.011 -13.548 -18.783 1.00 0.00 N ATOM 357 CA GLY A 26 23.949 -14.128 -19.576 1.00 0.00 C ATOM 358 C GLY A 26 23.947 -13.603 -20.996 1.00 0.00 C ATOM 359 O GLY A 26 23.671 -14.340 -21.943 1.00 0.00 O ATOM 0 H GLY A 26 24.749 -12.717 -18.253 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.059 -15.212 -19.591 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.988 -13.912 -19.109 1.00 0.00 H new ATOM 363 N LEU A 27 24.278 -12.327 -21.143 1.00 0.00 N ATOM 364 CA LEU A 27 24.233 -11.661 -22.439 1.00 0.00 C ATOM 365 C LEU A 27 25.289 -12.206 -23.396 1.00 0.00 C ATOM 366 O LEU A 27 25.078 -12.234 -24.607 1.00 0.00 O ATOM 367 CB LEU A 27 24.444 -10.162 -22.274 1.00 0.00 C ATOM 368 CG LEU A 27 24.071 -9.338 -23.501 1.00 0.00 C ATOM 369 CD1 LEU A 27 22.568 -9.135 -23.560 1.00 0.00 C ATOM 370 CD2 LEU A 27 24.806 -8.013 -23.497 1.00 0.00 C ATOM 0 H LEU A 27 24.583 -11.729 -20.375 1.00 0.00 H new ATOM 0 HA LEU A 27 23.248 -11.856 -22.862 1.00 0.00 H new ATOM 0 HB2 LEU A 27 23.855 -9.815 -21.425 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.491 -9.979 -22.032 1.00 0.00 H new ATOM 0 HG LEU A 27 24.374 -9.882 -24.395 1.00 0.00 H new ATOM 0 HD11 LEU A 27 22.315 -8.545 -24.441 1.00 0.00 H new ATOM 0 HD12 LEU A 27 22.072 -10.104 -23.617 1.00 0.00 H new ATOM 0 HD13 LEU A 27 22.236 -8.610 -22.664 1.00 0.00 H new ATOM 0 HD21 LEU A 27 24.527 -7.439 -24.381 1.00 0.00 H new ATOM 0 HD22 LEU A 27 24.540 -7.452 -22.601 1.00 0.00 H new ATOM 0 HD23 LEU A 27 25.881 -8.193 -23.506 1.00 0.00 H new ATOM 382 N SER A 28 26.417 -12.644 -22.853 1.00 0.00 N ATOM 383 CA SER A 28 27.519 -13.127 -23.663 1.00 0.00 C ATOM 384 C SER A 28 27.108 -14.342 -24.487 1.00 0.00 C ATOM 385 O SER A 28 27.657 -14.594 -25.562 1.00 0.00 O ATOM 386 CB SER A 28 28.701 -13.463 -22.757 1.00 0.00 C ATOM 387 OG SER A 28 28.270 -14.174 -21.609 1.00 0.00 O ATOM 0 H SER A 28 26.590 -12.673 -21.848 1.00 0.00 H new ATOM 0 HA SER A 28 27.811 -12.344 -24.363 1.00 0.00 H new ATOM 0 HB2 SER A 28 29.429 -14.059 -23.307 1.00 0.00 H new ATOM 0 HB3 SER A 28 29.205 -12.545 -22.454 1.00 0.00 H new ATOM 0 HG SER A 28 28.033 -13.539 -20.901 1.00 0.00 H new ATOM 393 N SER A 29 26.113 -15.071 -24.000 1.00 0.00 N ATOM 394 CA SER A 29 25.671 -16.281 -24.659 1.00 0.00 C ATOM 395 C SER A 29 24.402 -16.032 -25.465 1.00 0.00 C ATOM 396 O SER A 29 23.804 -16.963 -26.010 1.00 0.00 O ATOM 397 CB SER A 29 25.446 -17.366 -23.612 1.00 0.00 C ATOM 398 OG SER A 29 26.612 -17.537 -22.826 1.00 0.00 O ATOM 0 H SER A 29 25.599 -14.841 -23.149 1.00 0.00 H new ATOM 0 HA SER A 29 26.440 -16.609 -25.358 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.605 -17.097 -22.974 1.00 0.00 H new ATOM 0 HB3 SER A 29 25.187 -18.305 -24.101 1.00 0.00 H new ATOM 0 HG SER A 29 26.455 -18.235 -22.156 1.00 0.00 H new ATOM 404 N MET A 30 24.000 -14.772 -25.549 1.00 0.00 N ATOM 405 CA MET A 30 22.807 -14.404 -26.293 1.00 0.00 C ATOM 406 C MET A 30 23.114 -14.242 -27.773 1.00 0.00 C ATOM 407 O MET A 30 24.147 -13.683 -28.148 1.00 0.00 O ATOM 408 CB MET A 30 22.228 -13.100 -25.764 1.00 0.00 C ATOM 409 CG MET A 30 21.735 -13.170 -24.331 1.00 0.00 C ATOM 410 SD MET A 30 20.240 -14.159 -24.141 1.00 0.00 S ATOM 411 CE MET A 30 19.816 -13.764 -22.450 1.00 0.00 C ATOM 0 H MET A 30 24.483 -13.988 -25.111 1.00 0.00 H new ATOM 0 HA MET A 30 22.081 -15.207 -26.164 1.00 0.00 H new ATOM 0 HB2 MET A 30 22.989 -12.323 -25.836 1.00 0.00 H new ATOM 0 HB3 MET A 30 21.401 -12.797 -26.406 1.00 0.00 H new ATOM 0 HG2 MET A 30 22.522 -13.588 -23.703 1.00 0.00 H new ATOM 0 HG3 MET A 30 21.543 -12.160 -23.970 1.00 0.00 H new ATOM 0 HE1 MET A 30 18.938 -14.337 -22.152 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.652 -14.014 -21.797 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.599 -12.699 -22.369 1.00 0.00 H new ATOM 421 N PRO A 31 22.223 -14.739 -28.632 1.00 0.00 N ATOM 422 CA PRO A 31 22.333 -14.561 -30.075 1.00 0.00 C ATOM 423 C PRO A 31 21.941 -13.149 -30.505 1.00 0.00 C ATOM 424 O PRO A 31 21.112 -12.495 -29.864 1.00 0.00 O ATOM 425 CB PRO A 31 21.349 -15.591 -30.632 1.00 0.00 C ATOM 426 CG PRO A 31 20.321 -15.743 -29.565 1.00 0.00 C ATOM 427 CD PRO A 31 21.038 -15.533 -28.259 1.00 0.00 C ATOM 0 HA PRO A 31 23.353 -14.696 -30.435 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.903 -15.249 -31.566 1.00 0.00 H new ATOM 0 HB3 PRO A 31 21.844 -16.539 -30.843 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.519 -15.015 -29.690 1.00 0.00 H new ATOM 0 HG3 PRO A 31 19.863 -16.731 -29.603 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.412 -15.004 -27.540 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.320 -16.481 -27.800 1.00 0.00 H new ATOM 435 N GLY A 32 22.555 -12.673 -31.576 1.00 0.00 N ATOM 436 CA GLY A 32 22.227 -11.367 -32.102 1.00 0.00 C ATOM 437 C GLY A 32 23.392 -10.413 -31.995 1.00 0.00 C ATOM 438 O GLY A 32 23.570 -9.535 -32.842 1.00 0.00 O ATOM 0 H GLY A 32 23.279 -13.172 -32.093 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.927 -11.460 -33.146 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.373 -10.961 -31.560 1.00 0.00 H new ATOM 442 N PHE A 33 24.192 -10.592 -30.957 1.00 0.00 N ATOM 443 CA PHE A 33 25.351 -9.748 -30.722 1.00 0.00 C ATOM 444 C PHE A 33 26.637 -10.491 -31.056 1.00 0.00 C ATOM 445 O PHE A 33 26.613 -11.568 -31.648 1.00 0.00 O ATOM 446 CB PHE A 33 25.391 -9.288 -29.264 1.00 0.00 C ATOM 447 CG PHE A 33 24.323 -8.299 -28.898 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.464 -6.957 -29.215 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.186 -8.710 -28.223 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.493 -6.043 -28.864 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.209 -7.800 -27.872 1.00 0.00 C ATOM 452 CZ PHE A 33 22.363 -6.463 -28.192 1.00 0.00 C ATOM 0 H PHE A 33 24.057 -11.322 -30.257 1.00 0.00 H new ATOM 0 HA PHE A 33 25.268 -8.876 -31.371 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.298 -10.161 -28.617 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.366 -8.844 -29.062 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.345 -6.623 -29.743 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.062 -9.752 -27.969 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.617 -5.000 -29.115 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.325 -8.132 -27.348 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.601 -5.749 -27.917 1.00 0.00 H new ATOM 462 N THR A 34 27.752 -9.895 -30.675 1.00 0.00 N ATOM 463 CA THR A 34 29.060 -10.489 -30.859 1.00 0.00 C ATOM 464 C THR A 34 29.991 -9.960 -29.775 1.00 0.00 C ATOM 465 O THR A 34 29.621 -9.039 -29.044 1.00 0.00 O ATOM 466 CB THR A 34 29.634 -10.169 -32.258 1.00 0.00 C ATOM 467 OG1 THR A 34 30.887 -10.835 -32.451 1.00 0.00 O ATOM 468 CG2 THR A 34 29.824 -8.672 -32.440 1.00 0.00 C ATOM 0 H THR A 34 27.774 -8.979 -30.226 1.00 0.00 H new ATOM 0 HA THR A 34 28.971 -11.573 -30.784 1.00 0.00 H new ATOM 0 HB THR A 34 28.918 -10.525 -32.999 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.236 -10.623 -33.342 1.00 0.00 H new ATOM 0 HG21 THR A 34 30.229 -8.475 -33.433 1.00 0.00 H new ATOM 0 HG22 THR A 34 28.864 -8.168 -32.333 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.516 -8.299 -31.685 1.00 0.00 H new ATOM 476 N ALA A 35 31.190 -10.522 -29.681 1.00 0.00 N ATOM 477 CA ALA A 35 32.144 -10.136 -28.645 1.00 0.00 C ATOM 478 C ALA A 35 32.481 -8.651 -28.732 1.00 0.00 C ATOM 479 O ALA A 35 32.690 -7.993 -27.714 1.00 0.00 O ATOM 480 CB ALA A 35 33.400 -10.986 -28.753 1.00 0.00 C ATOM 0 H ALA A 35 31.527 -11.249 -30.312 1.00 0.00 H new ATOM 0 HA ALA A 35 31.686 -10.311 -27.671 1.00 0.00 H new ATOM 0 HB1 ALA A 35 34.106 -10.692 -27.977 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.140 -12.037 -28.627 1.00 0.00 H new ATOM 0 HB3 ALA A 35 33.855 -10.839 -29.732 1.00 0.00 H new ATOM 486 N SER A 36 32.516 -8.128 -29.953 1.00 0.00 N ATOM 487 CA SER A 36 32.761 -6.709 -30.181 1.00 0.00 C ATOM 488 C SER A 36 31.668 -5.858 -29.533 1.00 0.00 C ATOM 489 O SER A 36 31.956 -4.877 -28.846 1.00 0.00 O ATOM 490 CB SER A 36 32.844 -6.437 -31.687 1.00 0.00 C ATOM 491 OG SER A 36 32.990 -5.054 -31.968 1.00 0.00 O ATOM 0 H SER A 36 32.377 -8.670 -30.805 1.00 0.00 H new ATOM 0 HA SER A 36 33.710 -6.435 -29.720 1.00 0.00 H new ATOM 0 HB2 SER A 36 33.687 -6.984 -32.109 1.00 0.00 H new ATOM 0 HB3 SER A 36 31.944 -6.813 -32.174 1.00 0.00 H new ATOM 0 HG SER A 36 33.041 -4.921 -32.938 1.00 0.00 H new ATOM 497 N GLN A 37 30.415 -6.253 -29.741 1.00 0.00 N ATOM 498 CA GLN A 37 29.278 -5.564 -29.137 1.00 0.00 C ATOM 499 C GLN A 37 29.349 -5.671 -27.619 1.00 0.00 C ATOM 500 O GLN A 37 29.180 -4.684 -26.902 1.00 0.00 O ATOM 501 CB GLN A 37 27.964 -6.183 -29.616 1.00 0.00 C ATOM 502 CG GLN A 37 27.698 -6.036 -31.105 1.00 0.00 C ATOM 503 CD GLN A 37 26.896 -4.800 -31.450 1.00 0.00 C ATOM 504 OE1 GLN A 37 25.665 -4.825 -31.432 1.00 0.00 O ATOM 505 NE2 GLN A 37 27.577 -3.732 -31.822 1.00 0.00 N ATOM 0 H GLN A 37 30.161 -7.049 -30.325 1.00 0.00 H new ATOM 0 HA GLN A 37 29.316 -4.516 -29.435 1.00 0.00 H new ATOM 0 HB2 GLN A 37 27.965 -7.243 -29.364 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.141 -5.725 -29.067 1.00 0.00 H new ATOM 0 HG2 GLN A 37 28.650 -6.003 -31.636 1.00 0.00 H new ATOM 0 HG3 GLN A 37 27.165 -6.918 -31.461 1.00 0.00 H new ATOM 0 HE21 GLN A 37 28.597 -3.752 -31.823 1.00 0.00 H new ATOM 0 HE22 GLN A 37 27.083 -2.887 -32.109 1.00 0.00 H new ATOM 514 N LEU A 38 29.613 -6.885 -27.147 1.00 0.00 N ATOM 515 CA LEU A 38 29.656 -7.175 -25.718 1.00 0.00 C ATOM 516 C LEU A 38 30.740 -6.362 -25.023 1.00 0.00 C ATOM 517 O LEU A 38 30.522 -5.831 -23.936 1.00 0.00 O ATOM 518 CB LEU A 38 29.911 -8.668 -25.488 1.00 0.00 C ATOM 519 CG LEU A 38 28.895 -9.615 -26.130 1.00 0.00 C ATOM 520 CD1 LEU A 38 29.323 -11.061 -25.938 1.00 0.00 C ATOM 521 CD2 LEU A 38 27.509 -9.387 -25.548 1.00 0.00 C ATOM 0 H LEU A 38 29.802 -7.692 -27.741 1.00 0.00 H new ATOM 0 HA LEU A 38 28.690 -6.900 -25.294 1.00 0.00 H new ATOM 0 HB2 LEU A 38 30.902 -8.913 -25.870 1.00 0.00 H new ATOM 0 HB3 LEU A 38 29.928 -8.855 -24.414 1.00 0.00 H new ATOM 0 HG LEU A 38 28.856 -9.405 -27.199 1.00 0.00 H new ATOM 0 HD11 LEU A 38 28.590 -11.722 -26.400 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.296 -11.217 -26.403 1.00 0.00 H new ATOM 0 HD13 LEU A 38 29.390 -11.282 -24.873 1.00 0.00 H new ATOM 0 HD21 LEU A 38 26.801 -10.070 -26.017 1.00 0.00 H new ATOM 0 HD22 LEU A 38 27.531 -9.569 -24.474 1.00 0.00 H new ATOM 0 HD23 LEU A 38 27.200 -8.359 -25.736 1.00 0.00 H new ATOM 533 N ASP A 39 31.899 -6.264 -25.664 1.00 0.00 N ATOM 534 CA ASP A 39 33.039 -5.557 -25.091 1.00 0.00 C ATOM 535 C ASP A 39 32.698 -4.100 -24.823 1.00 0.00 C ATOM 536 O ASP A 39 32.881 -3.603 -23.710 1.00 0.00 O ATOM 537 CB ASP A 39 34.241 -5.639 -26.025 1.00 0.00 C ATOM 538 CG ASP A 39 35.495 -5.063 -25.401 1.00 0.00 C ATOM 539 OD1 ASP A 39 36.177 -5.794 -24.658 1.00 0.00 O ATOM 540 OD2 ASP A 39 35.808 -3.881 -25.653 1.00 0.00 O ATOM 0 H ASP A 39 32.075 -6.667 -26.584 1.00 0.00 H new ATOM 0 HA ASP A 39 33.287 -6.037 -24.144 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.418 -6.680 -26.295 1.00 0.00 H new ATOM 0 HB3 ASP A 39 34.018 -5.103 -26.948 1.00 0.00 H new ATOM 545 N ASP A 40 32.182 -3.432 -25.847 1.00 0.00 N ATOM 546 CA ASP A 40 31.799 -2.033 -25.744 1.00 0.00 C ATOM 547 C ASP A 40 30.710 -1.856 -24.702 1.00 0.00 C ATOM 548 O ASP A 40 30.793 -0.985 -23.835 1.00 0.00 O ATOM 549 CB ASP A 40 31.299 -1.519 -27.095 1.00 0.00 C ATOM 550 CG ASP A 40 32.415 -1.060 -28.011 1.00 0.00 C ATOM 551 OD1 ASP A 40 33.231 -1.903 -28.440 1.00 0.00 O ATOM 552 OD2 ASP A 40 32.478 0.151 -28.313 1.00 0.00 O ATOM 0 H ASP A 40 32.019 -3.843 -26.766 1.00 0.00 H new ATOM 0 HA ASP A 40 32.677 -1.461 -25.443 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.734 -2.309 -27.590 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.611 -0.690 -26.929 1.00 0.00 H new ATOM 557 N MET A 41 29.698 -2.710 -24.782 1.00 0.00 N ATOM 558 CA MET A 41 28.554 -2.637 -23.894 1.00 0.00 C ATOM 559 C MET A 41 28.972 -2.818 -22.442 1.00 0.00 C ATOM 560 O MET A 41 28.469 -2.127 -21.557 1.00 0.00 O ATOM 561 CB MET A 41 27.529 -3.695 -24.287 1.00 0.00 C ATOM 562 CG MET A 41 26.210 -3.547 -23.560 1.00 0.00 C ATOM 563 SD MET A 41 24.952 -4.681 -24.169 1.00 0.00 S ATOM 564 CE MET A 41 24.791 -4.147 -25.874 1.00 0.00 C ATOM 0 H MET A 41 29.650 -3.468 -25.462 1.00 0.00 H new ATOM 0 HA MET A 41 28.106 -1.648 -23.990 1.00 0.00 H new ATOM 0 HB2 MET A 41 27.353 -3.639 -25.361 1.00 0.00 H new ATOM 0 HB3 MET A 41 27.940 -4.684 -24.082 1.00 0.00 H new ATOM 0 HG2 MET A 41 26.365 -3.720 -22.495 1.00 0.00 H new ATOM 0 HG3 MET A 41 25.853 -2.523 -23.668 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.801 -4.412 -26.246 1.00 0.00 H new ATOM 0 HE2 MET A 41 24.923 -3.067 -25.931 1.00 0.00 H new ATOM 0 HE3 MET A 41 25.551 -4.638 -26.482 1.00 0.00 H new ATOM 574 N SER A 42 29.908 -3.726 -22.211 1.00 0.00 N ATOM 575 CA SER A 42 30.386 -4.005 -20.867 1.00 0.00 C ATOM 576 C SER A 42 31.052 -2.764 -20.277 1.00 0.00 C ATOM 577 O SER A 42 30.823 -2.415 -19.116 1.00 0.00 O ATOM 578 CB SER A 42 31.369 -5.177 -20.888 1.00 0.00 C ATOM 579 OG SER A 42 31.640 -5.642 -19.578 1.00 0.00 O ATOM 0 H SER A 42 30.353 -4.284 -22.940 1.00 0.00 H new ATOM 0 HA SER A 42 29.536 -4.276 -20.241 1.00 0.00 H new ATOM 0 HB2 SER A 42 30.958 -5.989 -21.487 1.00 0.00 H new ATOM 0 HB3 SER A 42 32.298 -4.867 -21.366 1.00 0.00 H new ATOM 0 HG SER A 42 32.270 -6.392 -19.621 1.00 0.00 H new ATOM 585 N THR A 43 31.852 -2.089 -21.096 1.00 0.00 N ATOM 586 CA THR A 43 32.539 -0.875 -20.676 1.00 0.00 C ATOM 587 C THR A 43 31.537 0.231 -20.340 1.00 0.00 C ATOM 588 O THR A 43 31.652 0.900 -19.312 1.00 0.00 O ATOM 589 CB THR A 43 33.502 -0.378 -21.773 1.00 0.00 C ATOM 590 OG1 THR A 43 34.392 -1.435 -22.155 1.00 0.00 O ATOM 591 CG2 THR A 43 34.310 0.819 -21.292 1.00 0.00 C ATOM 0 H THR A 43 32.041 -2.365 -22.060 1.00 0.00 H new ATOM 0 HA THR A 43 33.114 -1.118 -19.782 1.00 0.00 H new ATOM 0 HB THR A 43 32.907 -0.069 -22.632 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.904 -2.096 -22.690 1.00 0.00 H new ATOM 0 HG21 THR A 43 34.980 1.148 -22.086 1.00 0.00 H new ATOM 0 HG22 THR A 43 33.634 1.632 -21.028 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.895 0.535 -20.417 1.00 0.00 H new ATOM 599 N ILE A 44 30.538 0.402 -21.200 1.00 0.00 N ATOM 600 CA ILE A 44 29.511 1.414 -20.983 1.00 0.00 C ATOM 601 C ILE A 44 28.682 1.064 -19.753 1.00 0.00 C ATOM 602 O ILE A 44 28.271 1.940 -18.990 1.00 0.00 O ATOM 603 CB ILE A 44 28.578 1.552 -22.207 1.00 0.00 C ATOM 604 CG1 ILE A 44 29.394 1.814 -23.476 1.00 0.00 C ATOM 605 CG2 ILE A 44 27.571 2.668 -21.977 1.00 0.00 C ATOM 606 CD1 ILE A 44 30.271 3.042 -23.397 1.00 0.00 C ATOM 0 H ILE A 44 30.418 -0.146 -22.052 1.00 0.00 H new ATOM 0 HA ILE A 44 30.017 2.367 -20.830 1.00 0.00 H new ATOM 0 HB ILE A 44 28.034 0.617 -22.338 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.020 0.945 -23.680 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.712 1.920 -24.319 1.00 0.00 H new ATOM 0 HG21 ILE A 44 26.920 2.755 -22.847 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.971 2.441 -21.096 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.099 3.609 -21.824 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.817 3.160 -24.333 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.651 3.922 -23.225 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.979 2.931 -22.576 1.00 0.00 H new ATOM 618 N ALA A 45 28.453 -0.226 -19.563 1.00 0.00 N ATOM 619 CA ALA A 45 27.764 -0.721 -18.381 1.00 0.00 C ATOM 620 C ALA A 45 28.497 -0.294 -17.115 1.00 0.00 C ATOM 621 O ALA A 45 27.873 -0.004 -16.095 1.00 0.00 O ATOM 622 CB ALA A 45 27.637 -2.236 -18.439 1.00 0.00 C ATOM 0 H ALA A 45 28.737 -0.955 -20.218 1.00 0.00 H new ATOM 0 HA ALA A 45 26.763 -0.290 -18.358 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.120 -2.592 -17.548 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.070 -2.520 -19.326 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.630 -2.683 -18.485 1.00 0.00 H new ATOM 628 N GLN A 46 29.825 -0.233 -17.193 1.00 0.00 N ATOM 629 CA GLN A 46 30.634 0.214 -16.067 1.00 0.00 C ATOM 630 C GLN A 46 30.362 1.685 -15.778 1.00 0.00 C ATOM 631 O GLN A 46 30.271 2.089 -14.621 1.00 0.00 O ATOM 632 CB GLN A 46 32.131 0.011 -16.330 1.00 0.00 C ATOM 633 CG GLN A 46 32.532 -1.433 -16.601 1.00 0.00 C ATOM 634 CD GLN A 46 31.953 -2.408 -15.593 1.00 0.00 C ATOM 635 OE1 GLN A 46 32.523 -2.640 -14.530 1.00 0.00 O ATOM 636 NE2 GLN A 46 30.831 -3.015 -15.943 1.00 0.00 N ATOM 0 H GLN A 46 30.360 -0.487 -18.023 1.00 0.00 H new ATOM 0 HA GLN A 46 30.356 -0.389 -15.202 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.424 0.623 -17.183 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.691 0.375 -15.469 1.00 0.00 H new ATOM 0 HG2 GLN A 46 32.202 -1.714 -17.601 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.619 -1.511 -16.590 1.00 0.00 H new ATOM 0 HE21 GLN A 46 30.388 -2.794 -16.835 1.00 0.00 H new ATOM 0 HE22 GLN A 46 30.408 -3.704 -15.321 1.00 0.00 H new ATOM 645 N SER A 47 30.205 2.477 -16.838 1.00 0.00 N ATOM 646 CA SER A 47 29.942 3.903 -16.693 1.00 0.00 C ATOM 647 C SER A 47 28.585 4.112 -16.025 1.00 0.00 C ATOM 648 O SER A 47 28.402 5.037 -15.227 1.00 0.00 O ATOM 649 CB SER A 47 29.991 4.597 -18.060 1.00 0.00 C ATOM 650 OG SER A 47 29.993 6.009 -17.927 1.00 0.00 O ATOM 0 H SER A 47 30.256 2.153 -17.804 1.00 0.00 H new ATOM 0 HA SER A 47 30.713 4.347 -16.063 1.00 0.00 H new ATOM 0 HB2 SER A 47 30.884 4.280 -18.598 1.00 0.00 H new ATOM 0 HB3 SER A 47 29.133 4.288 -18.657 1.00 0.00 H new ATOM 0 HG SER A 47 30.026 6.421 -18.815 1.00 0.00 H new ATOM 656 N MET A 48 27.644 3.230 -16.343 1.00 0.00 N ATOM 657 CA MET A 48 26.339 3.222 -15.693 1.00 0.00 C ATOM 658 C MET A 48 26.497 3.006 -14.195 1.00 0.00 C ATOM 659 O MET A 48 25.933 3.742 -13.386 1.00 0.00 O ATOM 660 CB MET A 48 25.454 2.121 -16.279 1.00 0.00 C ATOM 661 CG MET A 48 24.863 2.461 -17.634 1.00 0.00 C ATOM 662 SD MET A 48 23.617 3.763 -17.542 1.00 0.00 S ATOM 663 CE MET A 48 22.416 3.011 -16.443 1.00 0.00 C ATOM 0 H MET A 48 27.762 2.507 -17.052 1.00 0.00 H new ATOM 0 HA MET A 48 25.865 4.188 -15.868 1.00 0.00 H new ATOM 0 HB2 MET A 48 26.041 1.207 -16.369 1.00 0.00 H new ATOM 0 HB3 MET A 48 24.642 1.912 -15.582 1.00 0.00 H new ATOM 0 HG2 MET A 48 25.662 2.775 -18.306 1.00 0.00 H new ATOM 0 HG3 MET A 48 24.416 1.566 -18.066 1.00 0.00 H new ATOM 0 HE1 MET A 48 21.502 3.604 -16.442 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.193 2.000 -16.785 1.00 0.00 H new ATOM 0 HE3 MET A 48 22.823 2.970 -15.433 1.00 0.00 H new ATOM 673 N VAL A 49 27.283 1.998 -13.838 1.00 0.00 N ATOM 674 CA VAL A 49 27.531 1.671 -12.439 1.00 0.00 C ATOM 675 C VAL A 49 28.239 2.821 -11.725 1.00 0.00 C ATOM 676 O VAL A 49 27.837 3.219 -10.636 1.00 0.00 O ATOM 677 CB VAL A 49 28.372 0.381 -12.298 1.00 0.00 C ATOM 678 CG1 VAL A 49 28.609 0.039 -10.834 1.00 0.00 C ATOM 679 CG2 VAL A 49 27.698 -0.783 -13.007 1.00 0.00 C ATOM 0 H VAL A 49 27.762 1.390 -14.502 1.00 0.00 H new ATOM 0 HA VAL A 49 26.559 1.505 -11.974 1.00 0.00 H new ATOM 0 HB VAL A 49 29.339 0.562 -12.768 1.00 0.00 H new ATOM 0 HG11 VAL A 49 29.203 -0.872 -10.765 1.00 0.00 H new ATOM 0 HG12 VAL A 49 29.143 0.857 -10.351 1.00 0.00 H new ATOM 0 HG13 VAL A 49 27.651 -0.113 -10.336 1.00 0.00 H new ATOM 0 HG21 VAL A 49 28.307 -1.680 -12.895 1.00 0.00 H new ATOM 0 HG22 VAL A 49 26.715 -0.955 -12.570 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.588 -0.550 -14.066 1.00 0.00 H new ATOM 689 N GLN A 50 29.279 3.364 -12.358 1.00 0.00 N ATOM 690 CA GLN A 50 30.062 4.460 -11.783 1.00 0.00 C ATOM 691 C GLN A 50 29.179 5.643 -11.389 1.00 0.00 C ATOM 692 O GLN A 50 29.412 6.294 -10.367 1.00 0.00 O ATOM 693 CB GLN A 50 31.131 4.917 -12.764 1.00 0.00 C ATOM 694 CG GLN A 50 32.203 3.870 -12.989 1.00 0.00 C ATOM 695 CD GLN A 50 33.554 4.491 -13.237 1.00 0.00 C ATOM 696 OE1 GLN A 50 33.946 4.733 -14.378 1.00 0.00 O ATOM 697 NE2 GLN A 50 34.265 4.770 -12.159 1.00 0.00 N ATOM 0 H GLN A 50 29.601 3.060 -13.277 1.00 0.00 H new ATOM 0 HA GLN A 50 30.538 4.081 -10.878 1.00 0.00 H new ATOM 0 HB2 GLN A 50 30.663 5.163 -13.717 1.00 0.00 H new ATOM 0 HB3 GLN A 50 31.594 5.831 -12.391 1.00 0.00 H new ATOM 0 HG2 GLN A 50 32.259 3.215 -12.119 1.00 0.00 H new ATOM 0 HG3 GLN A 50 31.928 3.247 -13.840 1.00 0.00 H new ATOM 0 HE21 GLN A 50 33.896 4.550 -11.234 1.00 0.00 H new ATOM 0 HE22 GLN A 50 35.183 5.206 -12.252 1.00 0.00 H new ATOM 706 N SER A 51 28.161 5.909 -12.196 1.00 0.00 N ATOM 707 CA SER A 51 27.235 6.995 -11.918 1.00 0.00 C ATOM 708 C SER A 51 26.448 6.697 -10.642 1.00 0.00 C ATOM 709 O SER A 51 26.265 7.569 -9.790 1.00 0.00 O ATOM 710 CB SER A 51 26.285 7.199 -13.105 1.00 0.00 C ATOM 711 OG SER A 51 25.527 8.389 -12.961 1.00 0.00 O ATOM 0 H SER A 51 27.957 5.387 -13.048 1.00 0.00 H new ATOM 0 HA SER A 51 27.801 7.915 -11.770 1.00 0.00 H new ATOM 0 HB2 SER A 51 26.860 7.241 -14.030 1.00 0.00 H new ATOM 0 HB3 SER A 51 25.613 6.345 -13.186 1.00 0.00 H new ATOM 0 HG SER A 51 24.932 8.493 -13.733 1.00 0.00 H new ATOM 717 N ILE A 52 26.020 5.447 -10.501 1.00 0.00 N ATOM 718 CA ILE A 52 25.248 5.022 -9.341 1.00 0.00 C ATOM 719 C ILE A 52 26.124 4.985 -8.092 1.00 0.00 C ATOM 720 O ILE A 52 25.694 5.393 -7.011 1.00 0.00 O ATOM 721 CB ILE A 52 24.618 3.638 -9.585 1.00 0.00 C ATOM 722 CG1 ILE A 52 23.749 3.697 -10.845 1.00 0.00 C ATOM 723 CG2 ILE A 52 23.797 3.193 -8.374 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.351 2.342 -11.375 1.00 0.00 C ATOM 0 H ILE A 52 26.197 4.707 -11.181 1.00 0.00 H new ATOM 0 HA ILE A 52 24.449 5.747 -9.184 1.00 0.00 H new ATOM 0 HB ILE A 52 25.409 2.903 -9.730 1.00 0.00 H new ATOM 0 HG12 ILE A 52 22.848 4.270 -10.627 1.00 0.00 H new ATOM 0 HG13 ILE A 52 24.290 4.236 -11.623 1.00 0.00 H new ATOM 0 HG21 ILE A 52 23.362 2.213 -8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 52 24.443 3.135 -7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.000 3.914 -8.190 1.00 0.00 H new ATOM 0 HD11 ILE A 52 22.737 2.466 -12.267 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.246 1.772 -11.626 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.782 1.807 -10.615 1.00 0.00 H new ATOM 736 N GLN A 53 27.360 4.516 -8.255 1.00 0.00 N ATOM 737 CA GLN A 53 28.331 4.506 -7.163 1.00 0.00 C ATOM 738 C GLN A 53 28.514 5.916 -6.617 1.00 0.00 C ATOM 739 O GLN A 53 28.674 6.116 -5.414 1.00 0.00 O ATOM 740 CB GLN A 53 29.688 3.969 -7.637 1.00 0.00 C ATOM 741 CG GLN A 53 29.634 2.577 -8.247 1.00 0.00 C ATOM 742 CD GLN A 53 29.115 1.526 -7.292 1.00 0.00 C ATOM 743 OE1 GLN A 53 27.916 1.274 -7.224 1.00 0.00 O ATOM 744 NE2 GLN A 53 30.017 0.896 -6.561 1.00 0.00 N ATOM 0 H GLN A 53 27.713 4.138 -9.134 1.00 0.00 H new ATOM 0 HA GLN A 53 27.949 3.852 -6.379 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.101 4.659 -8.373 1.00 0.00 H new ATOM 0 HB3 GLN A 53 30.375 3.955 -6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.998 2.600 -9.132 1.00 0.00 H new ATOM 0 HG3 GLN A 53 30.633 2.294 -8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 53 31.004 1.137 -6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.726 0.168 -5.908 1.00 0.00 H new ATOM 753 N SER A 54 28.472 6.891 -7.515 1.00 0.00 N ATOM 754 CA SER A 54 28.623 8.284 -7.136 1.00 0.00 C ATOM 755 C SER A 54 27.353 8.807 -6.469 1.00 0.00 C ATOM 756 O SER A 54 27.421 9.473 -5.437 1.00 0.00 O ATOM 757 CB SER A 54 28.963 9.126 -8.362 1.00 0.00 C ATOM 758 OG SER A 54 30.124 8.626 -9.009 1.00 0.00 O ATOM 0 H SER A 54 28.334 6.739 -8.514 1.00 0.00 H new ATOM 0 HA SER A 54 29.439 8.359 -6.417 1.00 0.00 H new ATOM 0 HB2 SER A 54 28.123 9.121 -9.057 1.00 0.00 H new ATOM 0 HB3 SER A 54 29.124 10.162 -8.064 1.00 0.00 H new ATOM 0 HG SER A 54 29.900 7.804 -9.493 1.00 0.00 H new ATOM 764 N LEU A 55 26.198 8.491 -7.048 1.00 0.00 N ATOM 765 CA LEU A 55 24.923 8.925 -6.501 1.00 0.00 C ATOM 766 C LEU A 55 24.746 8.442 -5.069 1.00 0.00 C ATOM 767 O LEU A 55 24.327 9.201 -4.197 1.00 0.00 O ATOM 768 CB LEU A 55 23.772 8.408 -7.365 1.00 0.00 C ATOM 769 CG LEU A 55 23.605 9.091 -8.724 1.00 0.00 C ATOM 770 CD1 LEU A 55 22.497 8.423 -9.521 1.00 0.00 C ATOM 771 CD2 LEU A 55 23.310 10.572 -8.550 1.00 0.00 C ATOM 0 H LEU A 55 26.122 7.934 -7.899 1.00 0.00 H new ATOM 0 HA LEU A 55 24.914 10.015 -6.501 1.00 0.00 H new ATOM 0 HB2 LEU A 55 23.917 7.341 -7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 55 22.843 8.520 -6.806 1.00 0.00 H new ATOM 0 HG LEU A 55 24.541 8.989 -9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 55 22.391 8.921 -10.485 1.00 0.00 H new ATOM 0 HD12 LEU A 55 22.745 7.374 -9.680 1.00 0.00 H new ATOM 0 HD13 LEU A 55 21.559 8.495 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 55 23.195 11.038 -9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 55 22.390 10.695 -7.979 1.00 0.00 H new ATOM 0 HD23 LEU A 55 24.134 11.047 -8.017 1.00 0.00 H new ATOM 783 N ALA A 56 25.093 7.184 -4.830 1.00 0.00 N ATOM 784 CA ALA A 56 24.913 6.573 -3.520 1.00 0.00 C ATOM 785 C ALA A 56 25.955 7.062 -2.518 1.00 0.00 C ATOM 786 O ALA A 56 25.746 6.980 -1.312 1.00 0.00 O ATOM 787 CB ALA A 56 24.966 5.060 -3.640 1.00 0.00 C ATOM 0 H ALA A 56 25.502 6.565 -5.530 1.00 0.00 H new ATOM 0 HA ALA A 56 23.934 6.871 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 56 24.831 4.612 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 56 24.173 4.720 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 56 25.933 4.761 -4.045 1.00 0.00 H new ATOM 793 N ALA A 57 27.065 7.594 -3.019 1.00 0.00 N ATOM 794 CA ALA A 57 28.146 8.035 -2.157 1.00 0.00 C ATOM 795 C ALA A 57 27.990 9.510 -1.860 1.00 0.00 C ATOM 796 O ALA A 57 28.391 9.994 -0.802 1.00 0.00 O ATOM 797 CB ALA A 57 29.496 7.757 -2.802 1.00 0.00 C ATOM 0 H ALA A 57 27.236 7.728 -4.016 1.00 0.00 H new ATOM 0 HA ALA A 57 28.101 7.478 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.292 8.095 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.601 6.687 -2.979 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.563 8.290 -3.751 1.00 0.00 H new ATOM 803 N GLN A 58 27.403 10.226 -2.807 1.00 0.00 N ATOM 804 CA GLN A 58 27.138 11.638 -2.628 1.00 0.00 C ATOM 805 C GLN A 58 25.769 11.851 -1.989 1.00 0.00 C ATOM 806 O GLN A 58 25.406 12.973 -1.631 1.00 0.00 O ATOM 807 CB GLN A 58 27.223 12.376 -3.965 1.00 0.00 C ATOM 808 CG GLN A 58 28.611 12.342 -4.585 1.00 0.00 C ATOM 809 CD GLN A 58 28.692 13.069 -5.914 1.00 0.00 C ATOM 810 OE1 GLN A 58 27.603 13.063 -6.667 1.00 0.00 O flip ATOM 811 NE2 GLN A 58 29.733 13.617 -6.269 1.00 0.00 N flip ATOM 0 H GLN A 58 27.103 9.849 -3.706 1.00 0.00 H new ATOM 0 HA GLN A 58 27.897 12.045 -1.960 1.00 0.00 H new ATOM 0 HB2 GLN A 58 26.511 11.934 -4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 58 26.924 13.414 -3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 58 29.323 12.788 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 58 28.913 11.304 -4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 58 30.551 13.600 -5.661 1.00 0.00 H new ATOM 0 HE22 GLN A 58 29.779 14.089 -7.172 1.00 0.00 H new ATOM 820 N GLY A 59 25.015 10.763 -1.857 1.00 0.00 N ATOM 821 CA GLY A 59 23.697 10.826 -1.251 1.00 0.00 C ATOM 822 C GLY A 59 22.714 11.608 -2.096 1.00 0.00 C ATOM 823 O GLY A 59 21.950 12.422 -1.580 1.00 0.00 O ATOM 0 H GLY A 59 25.297 9.831 -2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 59 23.320 9.814 -1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.774 11.287 -0.266 1.00 0.00 H new ATOM 827 N ARG A 60 22.735 11.359 -3.398 1.00 0.00 N ATOM 828 CA ARG A 60 21.896 12.099 -4.331 1.00 0.00 C ATOM 829 C ARG A 60 21.099 11.163 -5.224 1.00 0.00 C ATOM 830 O ARG A 60 20.658 11.552 -6.307 1.00 0.00 O ATOM 831 CB ARG A 60 22.743 13.025 -5.187 1.00 0.00 C ATOM 832 CG ARG A 60 23.361 14.163 -4.403 1.00 0.00 C ATOM 833 CD ARG A 60 23.927 15.211 -5.333 1.00 0.00 C ATOM 834 NE ARG A 60 24.455 16.362 -4.609 1.00 0.00 N ATOM 835 CZ ARG A 60 24.688 17.548 -5.161 1.00 0.00 C ATOM 836 NH1 ARG A 60 24.425 17.749 -6.444 1.00 0.00 N ATOM 837 NH2 ARG A 60 25.168 18.539 -4.426 1.00 0.00 N ATOM 0 H ARG A 60 23.325 10.649 -3.833 1.00 0.00 H new ATOM 0 HA ARG A 60 21.195 12.691 -3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.536 12.447 -5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 60 22.126 13.436 -5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 60 22.610 14.614 -3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 60 24.151 13.779 -3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 60 24.719 14.769 -5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 60 23.149 15.542 -6.021 1.00 0.00 H new ATOM 0 HE ARG A 60 24.658 16.249 -3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 60 24.043 16.992 -7.011 1.00 0.00 H new ATOM 0 HH12 ARG A 60 24.605 18.661 -6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 60 25.359 18.393 -3.435 1.00 0.00 H new ATOM 0 HH22 ARG A 60 25.346 19.449 -4.851 1.00 0.00 H new ATOM 851 N THR A 61 20.899 9.937 -4.765 1.00 0.00 N ATOM 852 CA THR A 61 20.141 8.956 -5.526 1.00 0.00 C ATOM 853 C THR A 61 18.642 9.226 -5.402 1.00 0.00 C ATOM 854 O THR A 61 17.907 8.474 -4.764 1.00 0.00 O ATOM 855 CB THR A 61 20.446 7.521 -5.047 1.00 0.00 C ATOM 856 OG1 THR A 61 21.811 7.432 -4.621 1.00 0.00 O ATOM 857 CG2 THR A 61 20.196 6.513 -6.161 1.00 0.00 C ATOM 0 H THR A 61 21.251 9.598 -3.870 1.00 0.00 H new ATOM 0 HA THR A 61 20.440 9.046 -6.570 1.00 0.00 H new ATOM 0 HB THR A 61 19.784 7.290 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.000 6.520 -4.316 1.00 0.00 H new ATOM 0 HG21 THR A 61 20.418 5.509 -5.800 1.00 0.00 H new ATOM 0 HG22 THR A 61 19.152 6.565 -6.471 1.00 0.00 H new ATOM 0 HG23 THR A 61 20.839 6.743 -7.011 1.00 0.00 H new ATOM 865 N SER A 62 18.205 10.325 -5.995 1.00 0.00 N ATOM 866 CA SER A 62 16.811 10.725 -5.951 1.00 0.00 C ATOM 867 C SER A 62 16.062 10.139 -7.149 1.00 0.00 C ATOM 868 O SER A 62 16.674 9.838 -8.177 1.00 0.00 O ATOM 869 CB SER A 62 16.734 12.251 -5.955 1.00 0.00 C ATOM 870 OG SER A 62 17.709 12.803 -5.081 1.00 0.00 O ATOM 0 H SER A 62 18.806 10.962 -6.518 1.00 0.00 H new ATOM 0 HA SER A 62 16.343 10.347 -5.042 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.891 12.626 -6.966 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.739 12.571 -5.647 1.00 0.00 H new ATOM 0 HG SER A 62 17.456 13.720 -4.846 1.00 0.00 H new ATOM 876 N PRO A 63 14.732 9.965 -7.033 1.00 0.00 N ATOM 877 CA PRO A 63 13.911 9.358 -8.092 1.00 0.00 C ATOM 878 C PRO A 63 14.106 10.023 -9.454 1.00 0.00 C ATOM 879 O PRO A 63 14.187 9.344 -10.478 1.00 0.00 O ATOM 880 CB PRO A 63 12.479 9.572 -7.596 1.00 0.00 C ATOM 881 CG PRO A 63 12.601 9.663 -6.117 1.00 0.00 C ATOM 882 CD PRO A 63 13.917 10.341 -5.859 1.00 0.00 C ATOM 0 HA PRO A 63 14.175 8.313 -8.254 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.047 10.481 -8.014 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.831 8.746 -7.890 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.776 10.234 -5.690 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.574 8.674 -5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.803 11.422 -5.779 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.370 9.998 -4.929 1.00 0.00 H new ATOM 890 N ASN A 64 14.207 11.348 -9.459 1.00 0.00 N ATOM 891 CA ASN A 64 14.325 12.100 -10.705 1.00 0.00 C ATOM 892 C ASN A 64 15.654 11.836 -11.405 1.00 0.00 C ATOM 893 O ASN A 64 15.756 11.999 -12.620 1.00 0.00 O ATOM 894 CB ASN A 64 14.133 13.598 -10.467 1.00 0.00 C ATOM 895 CG ASN A 64 12.692 14.032 -10.670 1.00 0.00 C ATOM 896 OD1 ASN A 64 12.293 14.393 -11.779 1.00 0.00 O ATOM 897 ND2 ASN A 64 11.902 14.000 -9.609 1.00 0.00 N ATOM 0 H ASN A 64 14.210 11.923 -8.617 1.00 0.00 H new ATOM 0 HA ASN A 64 13.529 11.751 -11.363 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.446 13.846 -9.453 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.778 14.157 -11.145 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.925 14.280 -9.692 1.00 0.00 H new ATOM 0 HD22 ASN A 64 12.270 13.695 -8.708 1.00 0.00 H new ATOM 904 N LYS A 65 16.673 11.433 -10.652 1.00 0.00 N ATOM 905 CA LYS A 65 17.930 11.027 -11.267 1.00 0.00 C ATOM 906 C LYS A 65 17.738 9.697 -11.971 1.00 0.00 C ATOM 907 O LYS A 65 18.058 9.548 -13.147 1.00 0.00 O ATOM 908 CB LYS A 65 19.066 10.887 -10.241 1.00 0.00 C ATOM 909 CG LYS A 65 19.698 12.200 -9.801 1.00 0.00 C ATOM 910 CD LYS A 65 18.915 12.870 -8.689 1.00 0.00 C ATOM 911 CE LYS A 65 19.571 14.172 -8.257 1.00 0.00 C ATOM 912 NZ LYS A 65 18.823 14.832 -7.157 1.00 0.00 N ATOM 0 H LYS A 65 16.654 11.379 -9.634 1.00 0.00 H new ATOM 0 HA LYS A 65 18.213 11.806 -11.974 1.00 0.00 H new ATOM 0 HB2 LYS A 65 18.679 10.374 -9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 65 19.843 10.251 -10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 65 20.718 12.015 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 65 19.762 12.874 -10.655 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.897 13.068 -9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 65 18.843 12.196 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 65 20.593 13.973 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 65 19.633 14.848 -9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 19.431 15.541 -6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 17.978 15.299 -7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.535 14.119 -6.456 1.00 0.00 H new ATOM 926 N LEU A 66 17.175 8.746 -11.239 1.00 0.00 N ATOM 927 CA LEU A 66 16.991 7.385 -11.730 1.00 0.00 C ATOM 928 C LEU A 66 16.091 7.355 -12.962 1.00 0.00 C ATOM 929 O LEU A 66 16.231 6.489 -13.828 1.00 0.00 O ATOM 930 CB LEU A 66 16.402 6.519 -10.618 1.00 0.00 C ATOM 931 CG LEU A 66 17.193 6.537 -9.304 1.00 0.00 C ATOM 932 CD1 LEU A 66 16.560 5.613 -8.276 1.00 0.00 C ATOM 933 CD2 LEU A 66 18.643 6.155 -9.550 1.00 0.00 C ATOM 0 H LEU A 66 16.833 8.894 -10.290 1.00 0.00 H new ATOM 0 HA LEU A 66 17.963 6.988 -12.024 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.384 6.852 -10.418 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.337 5.490 -10.973 1.00 0.00 H new ATOM 0 HG LEU A 66 17.167 7.551 -8.905 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.140 5.644 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 66 15.539 5.938 -8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.547 4.594 -8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.189 6.173 -8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 66 18.688 5.153 -9.976 1.00 0.00 H new ATOM 0 HD23 LEU A 66 19.094 6.865 -10.244 1.00 0.00 H new ATOM 945 N GLN A 67 15.170 8.307 -13.027 1.00 0.00 N ATOM 946 CA GLN A 67 14.306 8.477 -14.190 1.00 0.00 C ATOM 947 C GLN A 67 15.143 8.704 -15.452 1.00 0.00 C ATOM 948 O GLN A 67 14.831 8.178 -16.521 1.00 0.00 O ATOM 949 CB GLN A 67 13.339 9.647 -13.944 1.00 0.00 C ATOM 950 CG GLN A 67 12.359 9.915 -15.080 1.00 0.00 C ATOM 951 CD GLN A 67 12.905 10.875 -16.123 1.00 0.00 C ATOM 952 OE1 GLN A 67 13.710 11.756 -15.813 1.00 0.00 O ATOM 953 NE2 GLN A 67 12.468 10.713 -17.360 1.00 0.00 N ATOM 0 H GLN A 67 15.000 8.980 -12.280 1.00 0.00 H new ATOM 0 HA GLN A 67 13.722 7.569 -14.342 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.773 9.447 -13.034 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.922 10.550 -13.765 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.103 8.971 -15.562 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.436 10.322 -14.667 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.802 9.971 -17.572 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.797 11.330 -18.102 1.00 0.00 H new ATOM 962 N ALA A 68 16.221 9.467 -15.312 1.00 0.00 N ATOM 963 CA ALA A 68 17.110 9.746 -16.432 1.00 0.00 C ATOM 964 C ALA A 68 17.928 8.511 -16.796 1.00 0.00 C ATOM 965 O ALA A 68 18.174 8.241 -17.976 1.00 0.00 O ATOM 966 CB ALA A 68 18.024 10.916 -16.106 1.00 0.00 C ATOM 0 H ALA A 68 16.500 9.903 -14.433 1.00 0.00 H new ATOM 0 HA ALA A 68 16.499 10.014 -17.294 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.682 11.111 -16.953 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.422 11.802 -15.902 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.624 10.675 -15.229 1.00 0.00 H new ATOM 972 N LEU A 69 18.336 7.759 -15.776 1.00 0.00 N ATOM 973 CA LEU A 69 19.072 6.514 -15.975 1.00 0.00 C ATOM 974 C LEU A 69 18.290 5.556 -16.871 1.00 0.00 C ATOM 975 O LEU A 69 18.875 4.840 -17.677 1.00 0.00 O ATOM 976 CB LEU A 69 19.359 5.843 -14.625 1.00 0.00 C ATOM 977 CG LEU A 69 20.580 6.360 -13.848 1.00 0.00 C ATOM 978 CD1 LEU A 69 21.871 5.974 -14.550 1.00 0.00 C ATOM 979 CD2 LEU A 69 20.524 7.865 -13.652 1.00 0.00 C ATOM 0 H LEU A 69 18.168 7.993 -14.798 1.00 0.00 H new ATOM 0 HA LEU A 69 20.016 6.755 -16.464 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.479 5.958 -13.993 1.00 0.00 H new ATOM 0 HB3 LEU A 69 19.491 4.775 -14.796 1.00 0.00 H new ATOM 0 HG LEU A 69 20.559 5.890 -12.865 1.00 0.00 H new ATOM 0 HD11 LEU A 69 22.721 6.351 -13.981 1.00 0.00 H new ATOM 0 HD12 LEU A 69 21.935 4.888 -14.622 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.884 6.406 -15.551 1.00 0.00 H new ATOM 0 HD21 LEU A 69 21.404 8.193 -13.099 1.00 0.00 H new ATOM 0 HD22 LEU A 69 20.502 8.358 -14.624 1.00 0.00 H new ATOM 0 HD23 LEU A 69 19.626 8.126 -13.092 1.00 0.00 H new ATOM 991 N ASN A 70 16.967 5.569 -16.729 1.00 0.00 N ATOM 992 CA ASN A 70 16.077 4.726 -17.535 1.00 0.00 C ATOM 993 C ASN A 70 16.334 4.931 -19.027 1.00 0.00 C ATOM 994 O ASN A 70 16.575 3.979 -19.770 1.00 0.00 O ATOM 995 CB ASN A 70 14.621 5.079 -17.210 1.00 0.00 C ATOM 996 CG ASN A 70 13.595 4.279 -17.995 1.00 0.00 C ATOM 997 OD1 ASN A 70 13.259 4.616 -19.130 1.00 0.00 O ATOM 998 ND2 ASN A 70 13.050 3.244 -17.372 1.00 0.00 N ATOM 0 H ASN A 70 16.480 6.160 -16.056 1.00 0.00 H new ATOM 0 HA ASN A 70 16.272 3.681 -17.295 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.450 4.922 -16.145 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.464 6.140 -17.405 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.325 2.695 -17.834 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.356 2.996 -16.431 1.00 0.00 H new ATOM 1005 N MET A 71 16.311 6.190 -19.441 1.00 0.00 N ATOM 1006 CA MET A 71 16.422 6.550 -20.850 1.00 0.00 C ATOM 1007 C MET A 71 17.828 6.323 -21.381 1.00 0.00 C ATOM 1008 O MET A 71 18.018 5.744 -22.456 1.00 0.00 O ATOM 1009 CB MET A 71 16.034 8.014 -21.042 1.00 0.00 C ATOM 1010 CG MET A 71 14.589 8.301 -20.691 1.00 0.00 C ATOM 1011 SD MET A 71 14.182 10.050 -20.786 1.00 0.00 S ATOM 1012 CE MET A 71 15.175 10.687 -19.437 1.00 0.00 C ATOM 0 H MET A 71 16.215 6.989 -18.814 1.00 0.00 H new ATOM 0 HA MET A 71 15.743 5.907 -21.411 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.681 8.638 -20.426 1.00 0.00 H new ATOM 0 HB3 MET A 71 16.212 8.297 -22.080 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.939 7.744 -21.366 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.386 7.940 -19.683 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.917 11.731 -19.257 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.982 10.104 -18.536 1.00 0.00 H new ATOM 0 HE3 MET A 71 16.231 10.614 -19.697 1.00 0.00 H new ATOM 1022 N ARG A 72 18.814 6.788 -20.633 1.00 0.00 N ATOM 1023 CA ARG A 72 20.202 6.688 -21.063 1.00 0.00 C ATOM 1024 C ARG A 72 20.655 5.231 -21.133 1.00 0.00 C ATOM 1025 O ARG A 72 21.362 4.844 -22.061 1.00 0.00 O ATOM 1026 CB ARG A 72 21.121 7.495 -20.141 1.00 0.00 C ATOM 1027 CG ARG A 72 22.576 7.506 -20.588 1.00 0.00 C ATOM 1028 CD ARG A 72 22.716 7.999 -22.023 1.00 0.00 C ATOM 1029 NE ARG A 72 24.097 7.946 -22.502 1.00 0.00 N ATOM 1030 CZ ARG A 72 24.446 7.562 -23.732 1.00 0.00 C ATOM 1031 NH1 ARG A 72 23.521 7.171 -24.603 1.00 0.00 N ATOM 1032 NH2 ARG A 72 25.723 7.572 -24.096 1.00 0.00 N ATOM 0 H ARG A 72 18.682 7.238 -19.727 1.00 0.00 H new ATOM 0 HA ARG A 72 20.268 7.110 -22.066 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.758 8.521 -20.088 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.062 7.084 -19.133 1.00 0.00 H new ATOM 0 HG2 ARG A 72 23.157 8.146 -19.924 1.00 0.00 H new ATOM 0 HG3 ARG A 72 22.991 6.501 -20.505 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.086 7.394 -22.675 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.351 9.024 -22.089 1.00 0.00 H new ATOM 0 HE ARG A 72 24.838 8.219 -21.857 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.537 7.163 -24.333 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.795 6.879 -25.541 1.00 0.00 H new ATOM 0 HH21 ARG A 72 26.439 7.873 -23.435 1.00 0.00 H new ATOM 0 HH22 ARG A 72 25.988 7.278 -25.036 1.00 0.00 H new ATOM 1046 N PHE A 73 20.233 4.429 -20.165 1.00 0.00 N ATOM 1047 CA PHE A 73 20.574 3.008 -20.136 1.00 0.00 C ATOM 1048 C PHE A 73 20.098 2.313 -21.408 1.00 0.00 C ATOM 1049 O PHE A 73 20.853 1.584 -22.053 1.00 0.00 O ATOM 1050 CB PHE A 73 19.944 2.358 -18.899 1.00 0.00 C ATOM 1051 CG PHE A 73 20.086 0.865 -18.824 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.333 0.261 -18.806 1.00 0.00 C ATOM 1053 CD2 PHE A 73 18.959 0.066 -18.769 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.449 -1.115 -18.731 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.064 -1.307 -18.693 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.312 -1.901 -18.675 1.00 0.00 C ATOM 0 H PHE A 73 19.652 4.737 -19.386 1.00 0.00 H new ATOM 0 HA PHE A 73 21.658 2.903 -20.083 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.394 2.796 -18.008 1.00 0.00 H new ATOM 0 HB3 PHE A 73 18.883 2.609 -18.876 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.223 0.871 -18.851 1.00 0.00 H new ATOM 0 HD2 PHE A 73 17.981 0.524 -18.786 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.426 -1.575 -18.716 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.174 -1.916 -18.648 1.00 0.00 H new ATOM 0 HZ PHE A 73 20.399 -2.976 -18.617 1.00 0.00 H new ATOM 1066 N ALA A 74 18.851 2.568 -21.773 1.00 0.00 N ATOM 1067 CA ALA A 74 18.262 1.980 -22.964 1.00 0.00 C ATOM 1068 C ALA A 74 18.987 2.433 -24.231 1.00 0.00 C ATOM 1069 O ALA A 74 19.323 1.617 -25.091 1.00 0.00 O ATOM 1070 CB ALA A 74 16.789 2.340 -23.045 1.00 0.00 C ATOM 0 H ALA A 74 18.224 3.184 -21.256 1.00 0.00 H new ATOM 0 HA ALA A 74 18.366 0.897 -22.892 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.355 1.896 -23.940 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.272 1.959 -22.164 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.681 3.424 -23.089 1.00 0.00 H new ATOM 1076 N SER A 75 19.243 3.731 -24.334 1.00 0.00 N ATOM 1077 CA SER A 75 19.843 4.296 -25.537 1.00 0.00 C ATOM 1078 C SER A 75 21.312 3.895 -25.692 1.00 0.00 C ATOM 1079 O SER A 75 21.787 3.710 -26.811 1.00 0.00 O ATOM 1080 CB SER A 75 19.694 5.818 -25.535 1.00 0.00 C ATOM 1081 OG SER A 75 20.070 6.369 -24.281 1.00 0.00 O ATOM 0 H SER A 75 19.045 4.412 -23.601 1.00 0.00 H new ATOM 0 HA SER A 75 19.309 3.887 -26.395 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.312 6.248 -26.324 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.661 6.085 -25.758 1.00 0.00 H new ATOM 0 HG SER A 75 19.319 6.300 -23.655 1.00 0.00 H new ATOM 1087 N SER A 76 22.022 3.748 -24.575 1.00 0.00 N ATOM 1088 CA SER A 76 23.426 3.337 -24.605 1.00 0.00 C ATOM 1089 C SER A 76 23.578 1.982 -25.292 1.00 0.00 C ATOM 1090 O SER A 76 24.484 1.776 -26.099 1.00 0.00 O ATOM 1091 CB SER A 76 23.991 3.268 -23.184 1.00 0.00 C ATOM 1092 OG SER A 76 23.926 4.532 -22.546 1.00 0.00 O ATOM 0 H SER A 76 21.650 3.907 -23.639 1.00 0.00 H new ATOM 0 HA SER A 76 23.986 4.080 -25.174 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.432 2.535 -22.603 1.00 0.00 H new ATOM 0 HB3 SER A 76 25.026 2.927 -23.217 1.00 0.00 H new ATOM 0 HG SER A 76 23.001 4.718 -22.282 1.00 0.00 H new ATOM 1098 N MET A 77 22.670 1.066 -24.982 1.00 0.00 N ATOM 1099 CA MET A 77 22.690 -0.258 -25.584 1.00 0.00 C ATOM 1100 C MET A 77 22.224 -0.185 -27.032 1.00 0.00 C ATOM 1101 O MET A 77 22.684 -0.944 -27.886 1.00 0.00 O ATOM 1102 CB MET A 77 21.803 -1.216 -24.789 1.00 0.00 C ATOM 1103 CG MET A 77 22.264 -1.411 -23.353 1.00 0.00 C ATOM 1104 SD MET A 77 21.161 -2.470 -22.399 1.00 0.00 S ATOM 1105 CE MET A 77 19.649 -1.509 -22.426 1.00 0.00 C ATOM 0 H MET A 77 21.911 1.217 -24.317 1.00 0.00 H new ATOM 0 HA MET A 77 23.713 -0.635 -25.565 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.781 -0.837 -24.787 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.783 -2.183 -25.291 1.00 0.00 H new ATOM 0 HG2 MET A 77 23.264 -1.844 -23.354 1.00 0.00 H new ATOM 0 HG3 MET A 77 22.338 -0.439 -22.865 1.00 0.00 H new ATOM 0 HE1 MET A 77 18.899 -1.993 -21.801 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.848 -0.507 -22.044 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.279 -1.441 -23.449 1.00 0.00 H new ATOM 1115 N ALA A 78 21.323 0.751 -27.300 1.00 0.00 N ATOM 1116 CA ALA A 78 20.780 0.947 -28.637 1.00 0.00 C ATOM 1117 C ALA A 78 21.855 1.402 -29.617 1.00 0.00 C ATOM 1118 O ALA A 78 21.936 0.894 -30.733 1.00 0.00 O ATOM 1119 CB ALA A 78 19.645 1.955 -28.600 1.00 0.00 C ATOM 0 H ALA A 78 20.950 1.393 -26.600 1.00 0.00 H new ATOM 0 HA ALA A 78 20.397 -0.013 -28.984 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.248 2.093 -29.606 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.855 1.589 -27.945 1.00 0.00 H new ATOM 0 HB3 ALA A 78 20.017 2.908 -28.223 1.00 0.00 H new ATOM 1125 N GLU A 79 22.682 2.354 -29.188 1.00 0.00 N ATOM 1126 CA GLU A 79 23.766 2.876 -30.018 1.00 0.00 C ATOM 1127 C GLU A 79 24.677 1.750 -30.496 1.00 0.00 C ATOM 1128 O GLU A 79 25.121 1.728 -31.646 1.00 0.00 O ATOM 1129 CB GLU A 79 24.581 3.909 -29.237 1.00 0.00 C ATOM 1130 CG GLU A 79 23.781 5.140 -28.841 1.00 0.00 C ATOM 1131 CD GLU A 79 24.633 6.214 -28.191 1.00 0.00 C ATOM 1132 OE1 GLU A 79 25.553 6.731 -28.858 1.00 0.00 O ATOM 1133 OE2 GLU A 79 24.373 6.567 -27.020 1.00 0.00 O ATOM 0 H GLU A 79 22.621 2.782 -28.264 1.00 0.00 H new ATOM 0 HA GLU A 79 23.323 3.356 -30.891 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.980 3.440 -28.338 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.434 4.219 -29.841 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.298 5.553 -29.726 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.988 4.846 -28.153 1.00 0.00 H new ATOM 1140 N ILE A 80 24.940 0.816 -29.599 1.00 0.00 N ATOM 1141 CA ILE A 80 25.776 -0.339 -29.901 1.00 0.00 C ATOM 1142 C ILE A 80 25.052 -1.316 -30.822 1.00 0.00 C ATOM 1143 O ILE A 80 25.575 -1.699 -31.870 1.00 0.00 O ATOM 1144 CB ILE A 80 26.189 -1.063 -28.604 1.00 0.00 C ATOM 1145 CG1 ILE A 80 26.999 -0.109 -27.723 1.00 0.00 C ATOM 1146 CG2 ILE A 80 26.984 -2.331 -28.909 1.00 0.00 C ATOM 1147 CD1 ILE A 80 27.282 -0.648 -26.342 1.00 0.00 C ATOM 0 H ILE A 80 24.583 0.834 -28.644 1.00 0.00 H new ATOM 0 HA ILE A 80 26.669 0.024 -30.410 1.00 0.00 H new ATOM 0 HB ILE A 80 25.289 -1.365 -28.068 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.945 0.113 -28.217 1.00 0.00 H new ATOM 0 HG13 ILE A 80 26.459 0.833 -27.632 1.00 0.00 H new ATOM 0 HG21 ILE A 80 27.261 -2.820 -27.975 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.373 -3.008 -29.506 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.885 -2.071 -29.464 1.00 0.00 H new ATOM 0 HD11 ILE A 80 27.860 0.084 -25.777 1.00 0.00 H new ATOM 0 HD12 ILE A 80 26.341 -0.843 -25.828 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.850 -1.575 -26.423 1.00 0.00 H new ATOM 1159 N ALA A 81 23.839 -1.693 -30.433 1.00 0.00 N ATOM 1160 CA ALA A 81 23.049 -2.664 -31.182 1.00 0.00 C ATOM 1161 C ALA A 81 22.797 -2.190 -32.613 1.00 0.00 C ATOM 1162 O ALA A 81 22.732 -2.994 -33.547 1.00 0.00 O ATOM 1163 CB ALA A 81 21.727 -2.910 -30.468 1.00 0.00 C ATOM 0 H ALA A 81 23.378 -1.337 -29.596 1.00 0.00 H new ATOM 0 HA ALA A 81 23.612 -3.596 -31.235 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.139 -3.636 -31.030 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.920 -3.297 -29.467 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.173 -1.974 -30.395 1.00 0.00 H new ATOM 1169 N ALA A 82 22.688 -0.877 -32.775 1.00 0.00 N ATOM 1170 CA ALA A 82 22.373 -0.269 -34.065 1.00 0.00 C ATOM 1171 C ALA A 82 23.534 -0.374 -35.047 1.00 0.00 C ATOM 1172 O ALA A 82 23.373 -0.115 -36.239 1.00 0.00 O ATOM 1173 CB ALA A 82 21.995 1.189 -33.870 1.00 0.00 C ATOM 0 H ALA A 82 22.815 -0.204 -32.019 1.00 0.00 H new ATOM 0 HA ALA A 82 21.532 -0.817 -34.489 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.761 1.637 -34.836 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.123 1.255 -33.219 1.00 0.00 H new ATOM 0 HB3 ALA A 82 22.829 1.723 -33.415 1.00 0.00 H new ATOM 1241 N SER A 89 20.289 -8.441 -37.037 1.00 0.00 N ATOM 1242 CA SER A 89 18.911 -8.086 -36.704 1.00 0.00 C ATOM 1243 C SER A 89 18.765 -7.511 -35.293 1.00 0.00 C ATOM 1244 O SER A 89 19.148 -8.139 -34.298 1.00 0.00 O ATOM 1245 CB SER A 89 18.023 -9.321 -36.857 1.00 0.00 C ATOM 1246 OG SER A 89 18.182 -9.899 -38.142 1.00 0.00 O ATOM 0 HA SER A 89 18.601 -7.301 -37.394 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.275 -10.053 -36.090 1.00 0.00 H new ATOM 0 HB3 SER A 89 16.980 -9.046 -36.704 1.00 0.00 H new ATOM 0 HG SER A 89 19.069 -9.675 -38.494 1.00 0.00 H new ATOM 1252 N LEU A 90 18.206 -6.307 -35.228 1.00 0.00 N ATOM 1253 CA LEU A 90 17.951 -5.623 -33.966 1.00 0.00 C ATOM 1254 C LEU A 90 16.894 -6.357 -33.149 1.00 0.00 C ATOM 1255 O LEU A 90 16.908 -6.317 -31.918 1.00 0.00 O ATOM 1256 CB LEU A 90 17.489 -4.189 -34.241 1.00 0.00 C ATOM 1257 CG LEU A 90 17.158 -3.358 -33.000 1.00 0.00 C ATOM 1258 CD1 LEU A 90 18.416 -3.056 -32.201 1.00 0.00 C ATOM 1259 CD2 LEU A 90 16.447 -2.075 -33.396 1.00 0.00 C ATOM 0 H LEU A 90 17.917 -5.778 -36.050 1.00 0.00 H new ATOM 0 HA LEU A 90 18.877 -5.607 -33.391 1.00 0.00 H new ATOM 0 HB2 LEU A 90 18.268 -3.676 -34.804 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.606 -4.226 -34.879 1.00 0.00 H new ATOM 0 HG LEU A 90 16.489 -3.939 -32.365 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.156 -2.464 -31.323 1.00 0.00 H new ATOM 0 HD12 LEU A 90 18.879 -3.991 -31.884 1.00 0.00 H new ATOM 0 HD13 LEU A 90 19.116 -2.496 -32.822 1.00 0.00 H new ATOM 0 HD21 LEU A 90 16.218 -1.495 -32.502 1.00 0.00 H new ATOM 0 HD22 LEU A 90 17.091 -1.490 -34.053 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.521 -2.318 -33.917 1.00 0.00 H new ATOM 1271 N SER A 91 15.987 -7.029 -33.842 1.00 0.00 N ATOM 1272 CA SER A 91 14.922 -7.785 -33.202 1.00 0.00 C ATOM 1273 C SER A 91 15.489 -8.828 -32.239 1.00 0.00 C ATOM 1274 O SER A 91 15.051 -8.942 -31.093 1.00 0.00 O ATOM 1275 CB SER A 91 14.081 -8.464 -34.277 1.00 0.00 C ATOM 1276 OG SER A 91 14.915 -9.112 -35.225 1.00 0.00 O ATOM 0 H SER A 91 15.969 -7.065 -34.861 1.00 0.00 H new ATOM 0 HA SER A 91 14.302 -7.101 -32.622 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.410 -9.190 -33.818 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.456 -7.725 -34.779 1.00 0.00 H new ATOM 0 HG SER A 91 14.360 -9.544 -35.907 1.00 0.00 H new ATOM 1282 N THR A 92 16.484 -9.565 -32.707 1.00 0.00 N ATOM 1283 CA THR A 92 17.117 -10.597 -31.905 1.00 0.00 C ATOM 1284 C THR A 92 17.938 -9.973 -30.778 1.00 0.00 C ATOM 1285 O THR A 92 17.952 -10.473 -29.657 1.00 0.00 O ATOM 1286 CB THR A 92 18.011 -11.487 -32.788 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.265 -11.913 -33.936 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.509 -12.706 -32.023 1.00 0.00 C ATOM 0 H THR A 92 16.872 -9.465 -33.645 1.00 0.00 H new ATOM 0 HA THR A 92 16.337 -11.216 -31.461 1.00 0.00 H new ATOM 0 HB THR A 92 18.879 -10.904 -33.097 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.831 -12.479 -34.502 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.137 -13.313 -32.675 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.089 -12.381 -31.159 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.657 -13.297 -31.686 1.00 0.00 H new ATOM 1296 N LYS A 93 18.589 -8.855 -31.086 1.00 0.00 N ATOM 1297 CA LYS A 93 19.410 -8.146 -30.111 1.00 0.00 C ATOM 1298 C LYS A 93 18.582 -7.691 -28.914 1.00 0.00 C ATOM 1299 O LYS A 93 18.905 -8.007 -27.770 1.00 0.00 O ATOM 1300 CB LYS A 93 20.081 -6.929 -30.753 1.00 0.00 C ATOM 1301 CG LYS A 93 21.233 -7.271 -31.681 1.00 0.00 C ATOM 1302 CD LYS A 93 21.902 -6.008 -32.192 1.00 0.00 C ATOM 1303 CE LYS A 93 23.232 -6.298 -32.865 1.00 0.00 C ATOM 1304 NZ LYS A 93 23.080 -7.167 -34.060 1.00 0.00 N ATOM 0 H LYS A 93 18.563 -8.419 -32.008 1.00 0.00 H new ATOM 0 HA LYS A 93 20.174 -8.841 -29.764 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.332 -6.369 -31.313 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.447 -6.272 -29.964 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.961 -7.887 -31.153 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.867 -7.860 -32.522 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.240 -5.508 -32.899 1.00 0.00 H new ATOM 0 HD3 LYS A 93 22.059 -5.320 -31.361 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.701 -5.359 -33.158 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.901 -6.779 -32.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 23.650 -6.785 -34.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 23.403 -8.129 -33.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.080 -7.196 -34.343 1.00 0.00 H new ATOM 1318 N THR A 94 17.507 -6.966 -29.190 1.00 0.00 N ATOM 1319 CA THR A 94 16.681 -6.380 -28.141 1.00 0.00 C ATOM 1320 C THR A 94 16.040 -7.449 -27.256 1.00 0.00 C ATOM 1321 O THR A 94 15.953 -7.291 -26.036 1.00 0.00 O ATOM 1322 CB THR A 94 15.589 -5.481 -28.748 1.00 0.00 C ATOM 1323 OG1 THR A 94 14.925 -6.165 -29.821 1.00 0.00 O ATOM 1324 CG2 THR A 94 16.191 -4.188 -29.266 1.00 0.00 C ATOM 0 H THR A 94 17.184 -6.768 -30.137 1.00 0.00 H new ATOM 0 HA THR A 94 17.338 -5.776 -27.516 1.00 0.00 H new ATOM 0 HB THR A 94 14.866 -5.247 -27.967 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.483 -6.130 -30.626 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.404 -3.565 -29.692 1.00 0.00 H new ATOM 0 HG22 THR A 94 16.671 -3.656 -28.445 1.00 0.00 H new ATOM 0 HG23 THR A 94 16.931 -4.413 -30.034 1.00 0.00 H new ATOM 1332 N SER A 95 15.614 -8.543 -27.875 1.00 0.00 N ATOM 1333 CA SER A 95 14.995 -9.642 -27.161 1.00 0.00 C ATOM 1334 C SER A 95 15.998 -10.323 -26.228 1.00 0.00 C ATOM 1335 O SER A 95 15.635 -10.820 -25.158 1.00 0.00 O ATOM 1336 CB SER A 95 14.444 -10.642 -28.174 1.00 0.00 C ATOM 1337 OG SER A 95 13.607 -9.999 -29.125 1.00 0.00 O ATOM 0 H SER A 95 15.689 -8.689 -28.882 1.00 0.00 H new ATOM 0 HA SER A 95 14.182 -9.257 -26.546 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.269 -11.137 -28.687 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.881 -11.417 -27.655 1.00 0.00 H new ATOM 0 HG SER A 95 14.111 -9.842 -29.951 1.00 0.00 H new ATOM 1343 N SER A 96 17.261 -10.338 -26.639 1.00 0.00 N ATOM 1344 CA SER A 96 18.325 -10.933 -25.843 1.00 0.00 C ATOM 1345 C SER A 96 18.628 -10.102 -24.598 1.00 0.00 C ATOM 1346 O SER A 96 18.812 -10.651 -23.508 1.00 0.00 O ATOM 1347 CB SER A 96 19.581 -11.095 -26.695 1.00 0.00 C ATOM 1348 OG SER A 96 19.387 -12.080 -27.700 1.00 0.00 O ATOM 0 H SER A 96 17.573 -9.942 -27.525 1.00 0.00 H new ATOM 0 HA SER A 96 17.988 -11.914 -25.507 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.837 -10.142 -27.158 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.422 -11.377 -26.061 1.00 0.00 H new ATOM 0 HG SER A 96 20.119 -12.032 -28.350 1.00 0.00 H new ATOM 1354 N ILE A 97 18.654 -8.783 -24.761 1.00 0.00 N ATOM 1355 CA ILE A 97 18.935 -7.878 -23.652 1.00 0.00 C ATOM 1356 C ILE A 97 17.934 -8.087 -22.521 1.00 0.00 C ATOM 1357 O ILE A 97 18.314 -8.261 -21.362 1.00 0.00 O ATOM 1358 CB ILE A 97 18.882 -6.405 -24.096 1.00 0.00 C ATOM 1359 CG1 ILE A 97 19.877 -6.150 -25.231 1.00 0.00 C ATOM 1360 CG2 ILE A 97 19.177 -5.494 -22.913 1.00 0.00 C ATOM 1361 CD1 ILE A 97 19.837 -4.737 -25.772 1.00 0.00 C ATOM 0 H ILE A 97 18.484 -8.316 -25.652 1.00 0.00 H new ATOM 0 HA ILE A 97 19.942 -8.105 -23.302 1.00 0.00 H new ATOM 0 HB ILE A 97 17.880 -6.186 -24.466 1.00 0.00 H new ATOM 0 HG12 ILE A 97 20.884 -6.364 -24.874 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.673 -6.846 -26.044 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.137 -4.454 -23.236 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.435 -5.660 -22.132 1.00 0.00 H new ATOM 0 HG23 ILE A 97 20.170 -5.715 -22.522 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.569 -4.633 -26.573 1.00 0.00 H new ATOM 0 HD12 ILE A 97 18.841 -4.524 -26.161 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.072 -4.034 -24.972 1.00 0.00 H new ATOM 1373 N ALA A 98 16.656 -8.100 -22.877 1.00 0.00 N ATOM 1374 CA ALA A 98 15.585 -8.212 -21.895 1.00 0.00 C ATOM 1375 C ALA A 98 15.621 -9.547 -21.157 1.00 0.00 C ATOM 1376 O ALA A 98 15.266 -9.620 -19.977 1.00 0.00 O ATOM 1377 CB ALA A 98 14.236 -8.012 -22.563 1.00 0.00 C ATOM 0 H ALA A 98 16.335 -8.034 -23.843 1.00 0.00 H new ATOM 0 HA ALA A 98 15.738 -7.428 -21.154 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.445 -8.098 -21.818 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.199 -7.023 -23.019 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.095 -8.771 -23.332 1.00 0.00 H new ATOM 1383 N SER A 99 16.059 -10.599 -21.838 1.00 0.00 N ATOM 1384 CA SER A 99 16.132 -11.913 -21.222 1.00 0.00 C ATOM 1385 C SER A 99 17.235 -11.921 -20.171 1.00 0.00 C ATOM 1386 O SER A 99 17.070 -12.467 -19.082 1.00 0.00 O ATOM 1387 CB SER A 99 16.383 -12.989 -22.283 1.00 0.00 C ATOM 1388 OG SER A 99 16.290 -14.295 -21.733 1.00 0.00 O ATOM 0 H SER A 99 16.366 -10.566 -22.810 1.00 0.00 H new ATOM 0 HA SER A 99 15.181 -12.136 -20.738 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.659 -12.881 -23.091 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.371 -12.847 -22.720 1.00 0.00 H new ATOM 0 HG SER A 99 16.454 -14.958 -22.436 1.00 0.00 H new ATOM 1394 N ALA A 100 18.350 -11.280 -20.495 1.00 0.00 N ATOM 1395 CA ALA A 100 19.468 -11.181 -19.569 1.00 0.00 C ATOM 1396 C ALA A 100 19.127 -10.246 -18.412 1.00 0.00 C ATOM 1397 O ALA A 100 19.505 -10.503 -17.275 1.00 0.00 O ATOM 1398 CB ALA A 100 20.715 -10.697 -20.292 1.00 0.00 C ATOM 0 H ALA A 100 18.504 -10.821 -21.393 1.00 0.00 H new ATOM 0 HA ALA A 100 19.665 -12.173 -19.162 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.542 -10.628 -19.585 1.00 0.00 H new ATOM 0 HB2 ALA A 100 20.972 -11.400 -21.084 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.526 -9.715 -20.726 1.00 0.00 H new ATOM 1404 N MET A 101 18.398 -9.168 -18.705 1.00 0.00 N ATOM 1405 CA MET A 101 18.011 -8.199 -17.689 1.00 0.00 C ATOM 1406 C MET A 101 17.127 -8.837 -16.621 1.00 0.00 C ATOM 1407 O MET A 101 17.379 -8.692 -15.424 1.00 0.00 O ATOM 1408 CB MET A 101 17.279 -7.027 -18.341 1.00 0.00 C ATOM 1409 CG MET A 101 18.203 -6.017 -19.004 1.00 0.00 C ATOM 1410 SD MET A 101 17.335 -4.929 -20.146 1.00 0.00 S ATOM 1411 CE MET A 101 15.845 -4.621 -19.218 1.00 0.00 C ATOM 0 H MET A 101 18.064 -8.947 -19.643 1.00 0.00 H new ATOM 0 HA MET A 101 18.917 -7.837 -17.203 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.585 -7.414 -19.087 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.682 -6.517 -17.584 1.00 0.00 H new ATOM 0 HG2 MET A 101 18.690 -5.417 -18.236 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.990 -6.547 -19.540 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.249 -3.864 -19.728 1.00 0.00 H new ATOM 0 HE2 MET A 101 15.269 -5.543 -19.138 1.00 0.00 H new ATOM 0 HE3 MET A 101 16.104 -4.267 -18.220 1.00 0.00 H new ATOM 1421 N SER A 102 16.103 -9.556 -17.058 1.00 0.00 N ATOM 1422 CA SER A 102 15.166 -10.191 -16.139 1.00 0.00 C ATOM 1423 C SER A 102 15.847 -11.308 -15.356 1.00 0.00 C ATOM 1424 O SER A 102 15.601 -11.486 -14.162 1.00 0.00 O ATOM 1425 CB SER A 102 13.957 -10.729 -16.911 1.00 0.00 C ATOM 1426 OG SER A 102 14.363 -11.437 -18.071 1.00 0.00 O ATOM 0 H SER A 102 15.899 -9.715 -18.045 1.00 0.00 H new ATOM 0 HA SER A 102 14.820 -9.444 -15.424 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.374 -11.386 -16.266 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.306 -9.902 -17.196 1.00 0.00 H new ATOM 0 HG SER A 102 14.544 -10.802 -18.795 1.00 0.00 H new ATOM 1432 N ASN A 103 16.718 -12.039 -16.033 1.00 0.00 N ATOM 1433 CA ASN A 103 17.459 -13.130 -15.414 1.00 0.00 C ATOM 1434 C ASN A 103 18.473 -12.600 -14.401 1.00 0.00 C ATOM 1435 O ASN A 103 18.635 -13.162 -13.321 1.00 0.00 O ATOM 1436 CB ASN A 103 18.160 -13.950 -16.498 1.00 0.00 C ATOM 1437 CG ASN A 103 19.057 -15.037 -15.945 1.00 0.00 C ATOM 1438 OD1 ASN A 103 18.776 -15.634 -14.905 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.149 -15.299 -16.642 1.00 0.00 N ATOM 0 H ASN A 103 16.931 -11.896 -17.020 1.00 0.00 H new ATOM 0 HA ASN A 103 16.759 -13.769 -14.876 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.408 -14.404 -17.143 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.754 -13.282 -17.122 1.00 0.00 H new ATOM 0 HD21 ASN A 103 20.797 -16.020 -16.323 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.344 -14.781 -17.499 1.00 0.00 H new ATOM 1446 N ALA A 104 19.141 -11.509 -14.744 1.00 0.00 N ATOM 1447 CA ALA A 104 20.135 -10.914 -13.857 1.00 0.00 C ATOM 1448 C ALA A 104 19.491 -10.379 -12.584 1.00 0.00 C ATOM 1449 O ALA A 104 20.027 -10.544 -11.487 1.00 0.00 O ATOM 1450 CB ALA A 104 20.887 -9.808 -14.576 1.00 0.00 C ATOM 0 H ALA A 104 19.015 -11.017 -15.628 1.00 0.00 H new ATOM 0 HA ALA A 104 20.841 -11.694 -13.572 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.625 -9.373 -13.903 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.391 -10.220 -15.450 1.00 0.00 H new ATOM 0 HB3 ALA A 104 20.185 -9.036 -14.892 1.00 0.00 H new ATOM 1456 N PHE A 105 18.333 -9.741 -12.729 1.00 0.00 N ATOM 1457 CA PHE A 105 17.607 -9.216 -11.579 1.00 0.00 C ATOM 1458 C PHE A 105 17.113 -10.380 -10.721 1.00 0.00 C ATOM 1459 O PHE A 105 17.057 -10.297 -9.491 1.00 0.00 O ATOM 1460 CB PHE A 105 16.436 -8.339 -12.046 1.00 0.00 C ATOM 1461 CG PHE A 105 16.047 -7.268 -11.065 1.00 0.00 C ATOM 1462 CD1 PHE A 105 16.988 -6.365 -10.596 1.00 0.00 C ATOM 1463 CD2 PHE A 105 14.741 -7.155 -10.624 1.00 0.00 C ATOM 1464 CE1 PHE A 105 16.633 -5.377 -9.701 1.00 0.00 C ATOM 1465 CE2 PHE A 105 14.379 -6.168 -9.728 1.00 0.00 C ATOM 1466 CZ PHE A 105 15.327 -5.277 -9.267 1.00 0.00 C ATOM 0 H PHE A 105 17.880 -9.576 -13.628 1.00 0.00 H new ATOM 0 HA PHE A 105 18.271 -8.594 -10.979 1.00 0.00 H new ATOM 0 HB2 PHE A 105 16.701 -7.871 -12.994 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.572 -8.975 -12.236 1.00 0.00 H new ATOM 0 HD1 PHE A 105 18.011 -6.436 -10.935 1.00 0.00 H new ATOM 0 HD2 PHE A 105 13.995 -7.847 -10.985 1.00 0.00 H new ATOM 0 HE1 PHE A 105 17.377 -4.682 -9.340 1.00 0.00 H new ATOM 0 HE2 PHE A 105 13.356 -6.094 -9.389 1.00 0.00 H new ATOM 0 HZ PHE A 105 15.047 -4.503 -8.568 1.00 0.00 H new ATOM 1476 N LEU A 106 16.793 -11.478 -11.391 1.00 0.00 N ATOM 1477 CA LEU A 106 16.375 -12.702 -10.750 1.00 0.00 C ATOM 1478 C LEU A 106 17.462 -13.260 -9.826 1.00 0.00 C ATOM 1479 O LEU A 106 17.161 -13.906 -8.824 1.00 0.00 O ATOM 1480 CB LEU A 106 16.057 -13.694 -11.856 1.00 0.00 C ATOM 1481 CG LEU A 106 15.140 -14.846 -11.504 1.00 0.00 C ATOM 1482 CD1 LEU A 106 13.911 -14.337 -10.766 1.00 0.00 C ATOM 1483 CD2 LEU A 106 14.744 -15.544 -12.788 1.00 0.00 C ATOM 0 H LEU A 106 16.819 -11.537 -12.409 1.00 0.00 H new ATOM 0 HA LEU A 106 15.504 -12.515 -10.122 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.609 -13.145 -12.684 1.00 0.00 H new ATOM 0 HB3 LEU A 106 16.997 -14.109 -12.220 1.00 0.00 H new ATOM 0 HG LEU A 106 15.653 -15.548 -10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.261 -15.177 -10.519 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.219 -13.835 -9.849 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.371 -13.634 -11.400 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.082 -16.379 -12.559 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.228 -14.840 -13.440 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.637 -15.916 -13.290 1.00 0.00 H new ATOM 1495 N GLN A 107 18.725 -13.005 -10.157 1.00 0.00 N ATOM 1496 CA GLN A 107 19.837 -13.543 -9.378 1.00 0.00 C ATOM 1497 C GLN A 107 20.282 -12.558 -8.303 1.00 0.00 C ATOM 1498 O GLN A 107 20.794 -12.952 -7.256 1.00 0.00 O ATOM 1499 CB GLN A 107 21.028 -13.873 -10.289 1.00 0.00 C ATOM 1500 CG GLN A 107 20.645 -14.640 -11.543 1.00 0.00 C ATOM 1501 CD GLN A 107 19.825 -15.880 -11.252 1.00 0.00 C ATOM 1502 OE1 GLN A 107 20.006 -16.542 -10.227 1.00 0.00 O ATOM 1503 NE2 GLN A 107 18.901 -16.185 -12.143 1.00 0.00 N ATOM 0 H GLN A 107 19.003 -12.433 -10.954 1.00 0.00 H new ATOM 0 HA GLN A 107 19.487 -14.456 -8.897 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.521 -12.945 -10.578 1.00 0.00 H new ATOM 0 HB3 GLN A 107 21.755 -14.457 -9.724 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.079 -13.984 -12.205 1.00 0.00 H new ATOM 0 HG3 GLN A 107 21.551 -14.927 -12.077 1.00 0.00 H new ATOM 0 HE21 GLN A 107 18.787 -15.609 -12.977 1.00 0.00 H new ATOM 0 HE22 GLN A 107 18.301 -16.997 -11.998 1.00 0.00 H new ATOM 1512 N THR A 108 20.075 -11.279 -8.562 1.00 0.00 N ATOM 1513 CA THR A 108 20.563 -10.236 -7.678 1.00 0.00 C ATOM 1514 C THR A 108 19.649 -10.019 -6.477 1.00 0.00 C ATOM 1515 O THR A 108 20.116 -9.917 -5.341 1.00 0.00 O ATOM 1516 CB THR A 108 20.727 -8.918 -8.445 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.655 -8.764 -9.382 1.00 0.00 O ATOM 1518 CG2 THR A 108 22.056 -8.877 -9.177 1.00 0.00 C ATOM 0 H THR A 108 19.571 -10.937 -9.380 1.00 0.00 H new ATOM 0 HA THR A 108 21.531 -10.567 -7.302 1.00 0.00 H new ATOM 0 HB THR A 108 20.704 -8.099 -7.726 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.852 -9.279 -10.192 1.00 0.00 H new ATOM 0 HG21 THR A 108 22.147 -7.932 -9.713 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.870 -8.967 -8.458 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.106 -9.703 -9.887 1.00 0.00 H new ATOM 1526 N THR A 109 18.354 -9.944 -6.732 1.00 0.00 N ATOM 1527 CA THR A 109 17.388 -9.693 -5.675 1.00 0.00 C ATOM 1528 C THR A 109 16.368 -10.834 -5.575 1.00 0.00 C ATOM 1529 O THR A 109 15.763 -11.049 -4.523 1.00 0.00 O ATOM 1530 CB THR A 109 16.684 -8.335 -5.896 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.657 -8.118 -4.921 1.00 0.00 O ATOM 1532 CG2 THR A 109 16.096 -8.254 -7.292 1.00 0.00 C ATOM 0 H THR A 109 17.947 -10.053 -7.661 1.00 0.00 H new ATOM 0 HA THR A 109 17.925 -9.648 -4.727 1.00 0.00 H new ATOM 0 HB THR A 109 17.436 -7.554 -5.784 1.00 0.00 H new ATOM 0 HG1 THR A 109 15.229 -7.251 -5.084 1.00 0.00 H new ATOM 0 HG21 THR A 109 15.606 -7.290 -7.425 1.00 0.00 H new ATOM 0 HG22 THR A 109 16.892 -8.361 -8.029 1.00 0.00 H new ATOM 0 HG23 THR A 109 15.367 -9.053 -7.427 1.00 0.00 H new ATOM 1540 N GLY A 110 16.186 -11.576 -6.667 1.00 0.00 N ATOM 1541 CA GLY A 110 15.336 -12.758 -6.627 1.00 0.00 C ATOM 1542 C GLY A 110 13.978 -12.542 -7.261 1.00 0.00 C ATOM 1543 O GLY A 110 13.227 -13.496 -7.476 1.00 0.00 O ATOM 0 H GLY A 110 16.609 -11.382 -7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.841 -13.578 -7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.200 -13.064 -5.590 1.00 0.00 H new ATOM 1547 N VAL A 111 13.657 -11.295 -7.558 1.00 0.00 N ATOM 1548 CA VAL A 111 12.375 -10.955 -8.159 1.00 0.00 C ATOM 1549 C VAL A 111 12.602 -10.284 -9.508 1.00 0.00 C ATOM 1550 O VAL A 111 13.670 -9.733 -9.755 1.00 0.00 O ATOM 1551 CB VAL A 111 11.554 -10.019 -7.237 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.138 -9.822 -7.763 1.00 0.00 C ATOM 1553 CG2 VAL A 111 11.523 -10.559 -5.814 1.00 0.00 C ATOM 0 H VAL A 111 14.269 -10.496 -7.392 1.00 0.00 H new ATOM 0 HA VAL A 111 11.808 -11.876 -8.298 1.00 0.00 H new ATOM 0 HB VAL A 111 12.046 -9.047 -7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.590 -9.160 -7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.178 -9.379 -8.758 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.632 -10.786 -7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 111 10.942 -9.887 -5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.065 -11.548 -5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.540 -10.629 -5.429 1.00 0.00 H new ATOM 1563 N VAL A 112 11.612 -10.355 -10.386 1.00 0.00 N ATOM 1564 CA VAL A 112 11.723 -9.748 -11.700 1.00 0.00 C ATOM 1565 C VAL A 112 10.956 -8.428 -11.756 1.00 0.00 C ATOM 1566 O VAL A 112 9.772 -8.375 -11.420 1.00 0.00 O ATOM 1567 CB VAL A 112 11.189 -10.684 -12.807 1.00 0.00 C ATOM 1568 CG1 VAL A 112 11.360 -10.049 -14.180 1.00 0.00 C ATOM 1569 CG2 VAL A 112 11.888 -12.033 -12.753 1.00 0.00 C ATOM 0 H VAL A 112 10.725 -10.827 -10.211 1.00 0.00 H new ATOM 0 HA VAL A 112 12.783 -9.565 -11.874 1.00 0.00 H new ATOM 0 HB VAL A 112 10.125 -10.841 -12.633 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.977 -10.726 -14.944 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.808 -9.110 -14.218 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.417 -9.856 -14.363 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.497 -12.677 -13.541 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.960 -11.894 -12.896 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.709 -12.497 -11.783 1.00 0.00 H new ATOM 1579 N ASN A 113 11.640 -7.365 -12.159 1.00 0.00 N ATOM 1580 CA ASN A 113 10.994 -6.072 -12.370 1.00 0.00 C ATOM 1581 C ASN A 113 10.430 -6.020 -13.783 1.00 0.00 C ATOM 1582 O ASN A 113 11.176 -6.037 -14.760 1.00 0.00 O ATOM 1583 CB ASN A 113 11.991 -4.925 -12.143 1.00 0.00 C ATOM 1584 CG ASN A 113 11.363 -3.539 -12.255 1.00 0.00 C ATOM 1585 OD1 ASN A 113 10.452 -3.305 -13.046 1.00 0.00 O ATOM 1586 ND2 ASN A 113 11.844 -2.604 -11.449 1.00 0.00 N ATOM 0 H ASN A 113 12.643 -7.371 -12.347 1.00 0.00 H new ATOM 0 HA ASN A 113 10.182 -5.954 -11.653 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.438 -5.033 -11.155 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.799 -5.008 -12.869 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.458 -1.660 -11.475 1.00 0.00 H new ATOM 0 HD22 ASN A 113 12.601 -2.828 -10.803 1.00 0.00 H new ATOM 1593 N GLN A 114 9.113 -5.969 -13.883 1.00 0.00 N ATOM 1594 CA GLN A 114 8.438 -6.027 -15.172 1.00 0.00 C ATOM 1595 C GLN A 114 8.395 -4.659 -15.876 1.00 0.00 C ATOM 1596 O GLN A 114 8.872 -4.544 -17.007 1.00 0.00 O ATOM 1597 CB GLN A 114 7.022 -6.588 -14.992 1.00 0.00 C ATOM 1598 CG GLN A 114 6.276 -6.818 -16.294 1.00 0.00 C ATOM 1599 CD GLN A 114 6.901 -7.905 -17.148 1.00 0.00 C ATOM 1600 OE1 GLN A 114 6.588 -9.084 -16.992 1.00 0.00 O ATOM 1601 NE2 GLN A 114 7.773 -7.519 -18.068 1.00 0.00 N ATOM 0 H GLN A 114 8.485 -5.887 -13.083 1.00 0.00 H new ATOM 0 HA GLN A 114 9.014 -6.692 -15.816 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.083 -7.531 -14.449 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.446 -5.900 -14.373 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.243 -7.086 -16.073 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.250 -5.888 -16.861 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.007 -6.531 -18.166 1.00 0.00 H new ATOM 0 HE22 GLN A 114 8.210 -8.210 -18.678 1.00 0.00 H new ATOM 1610 N PRO A 115 7.834 -3.602 -15.234 1.00 0.00 N ATOM 1611 CA PRO A 115 7.663 -2.285 -15.870 1.00 0.00 C ATOM 1612 C PRO A 115 8.955 -1.717 -16.447 1.00 0.00 C ATOM 1613 O PRO A 115 8.971 -1.204 -17.566 1.00 0.00 O ATOM 1614 CB PRO A 115 7.161 -1.377 -14.735 1.00 0.00 C ATOM 1615 CG PRO A 115 7.391 -2.143 -13.477 1.00 0.00 C ATOM 1616 CD PRO A 115 7.319 -3.591 -13.854 1.00 0.00 C ATOM 0 HA PRO A 115 6.981 -2.358 -16.717 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.702 -0.431 -14.722 1.00 0.00 H new ATOM 0 HB3 PRO A 115 6.105 -1.139 -14.861 1.00 0.00 H new ATOM 0 HG2 PRO A 115 8.362 -1.900 -13.045 1.00 0.00 H new ATOM 0 HG3 PRO A 115 6.638 -1.897 -12.728 1.00 0.00 H new ATOM 0 HD2 PRO A 115 7.925 -4.211 -13.193 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.299 -3.971 -13.801 1.00 0.00 H new ATOM 1624 N PHE A 116 10.042 -1.848 -15.699 1.00 0.00 N ATOM 1625 CA PHE A 116 11.291 -1.204 -16.057 1.00 0.00 C ATOM 1626 C PHE A 116 11.867 -1.839 -17.312 1.00 0.00 C ATOM 1627 O PHE A 116 12.496 -1.170 -18.133 1.00 0.00 O ATOM 1628 CB PHE A 116 12.284 -1.305 -14.899 1.00 0.00 C ATOM 1629 CG PHE A 116 13.243 -0.155 -14.832 1.00 0.00 C ATOM 1630 CD1 PHE A 116 12.802 1.094 -14.430 1.00 0.00 C ATOM 1631 CD2 PHE A 116 14.578 -0.319 -15.161 1.00 0.00 C ATOM 1632 CE1 PHE A 116 13.675 2.162 -14.354 1.00 0.00 C ATOM 1633 CE2 PHE A 116 15.458 0.744 -15.088 1.00 0.00 C ATOM 1634 CZ PHE A 116 15.005 1.987 -14.685 1.00 0.00 C ATOM 0 H PHE A 116 10.081 -2.396 -14.840 1.00 0.00 H new ATOM 0 HA PHE A 116 11.101 -0.150 -16.260 1.00 0.00 H new ATOM 0 HB2 PHE A 116 11.732 -1.362 -13.961 1.00 0.00 H new ATOM 0 HB3 PHE A 116 12.848 -2.233 -14.994 1.00 0.00 H new ATOM 0 HD1 PHE A 116 11.763 1.235 -14.173 1.00 0.00 H new ATOM 0 HD2 PHE A 116 14.935 -1.288 -15.478 1.00 0.00 H new ATOM 0 HE1 PHE A 116 13.319 3.131 -14.037 1.00 0.00 H new ATOM 0 HE2 PHE A 116 16.498 0.604 -15.345 1.00 0.00 H new ATOM 0 HZ PHE A 116 15.690 2.820 -14.629 1.00 0.00 H new ATOM 1644 N ILE A 117 11.625 -3.131 -17.472 1.00 0.00 N ATOM 1645 CA ILE A 117 12.095 -3.845 -18.642 1.00 0.00 C ATOM 1646 C ILE A 117 11.269 -3.464 -19.866 1.00 0.00 C ATOM 1647 O ILE A 117 11.800 -3.319 -20.970 1.00 0.00 O ATOM 1648 CB ILE A 117 12.063 -5.377 -18.430 1.00 0.00 C ATOM 1649 CG1 ILE A 117 13.027 -5.767 -17.304 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.413 -6.115 -19.719 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.198 -7.262 -17.129 1.00 0.00 C ATOM 0 H ILE A 117 11.106 -3.703 -16.806 1.00 0.00 H new ATOM 0 HA ILE A 117 13.133 -3.555 -18.808 1.00 0.00 H new ATOM 0 HB ILE A 117 11.052 -5.667 -18.146 1.00 0.00 H new ATOM 0 HG12 ILE A 117 14.001 -5.321 -17.503 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.667 -5.341 -16.368 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.383 -7.190 -19.542 1.00 0.00 H new ATOM 0 HG22 ILE A 117 11.693 -5.855 -20.494 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.414 -5.828 -20.042 1.00 0.00 H new ATOM 0 HD11 ILE A 117 13.895 -7.456 -16.314 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.234 -7.714 -16.897 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.589 -7.694 -18.050 1.00 0.00 H new ATOM 1663 N ASN A 118 9.972 -3.271 -19.659 1.00 0.00 N ATOM 1664 CA ASN A 118 9.070 -2.899 -20.742 1.00 0.00 C ATOM 1665 C ASN A 118 9.462 -1.546 -21.324 1.00 0.00 C ATOM 1666 O ASN A 118 9.438 -1.351 -22.539 1.00 0.00 O ATOM 1667 CB ASN A 118 7.619 -2.850 -20.253 1.00 0.00 C ATOM 1668 CG ASN A 118 7.087 -4.207 -19.831 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.527 -5.246 -20.323 1.00 0.00 O ATOM 1670 ND2 ASN A 118 6.123 -4.209 -18.925 1.00 0.00 N ATOM 0 H ASN A 118 9.521 -3.366 -18.749 1.00 0.00 H new ATOM 0 HA ASN A 118 9.151 -3.659 -21.520 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.549 -2.161 -19.411 1.00 0.00 H new ATOM 0 HB3 ASN A 118 6.988 -2.450 -21.046 1.00 0.00 H new ATOM 0 HD21 ASN A 118 5.719 -5.092 -18.612 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.784 -3.328 -18.539 1.00 0.00 H new ATOM 1677 N GLU A 119 9.838 -0.620 -20.452 1.00 0.00 N ATOM 1678 CA GLU A 119 10.249 0.708 -20.882 1.00 0.00 C ATOM 1679 C GLU A 119 11.553 0.640 -21.671 1.00 0.00 C ATOM 1680 O GLU A 119 11.607 1.061 -22.828 1.00 0.00 O ATOM 1681 CB GLU A 119 10.412 1.638 -19.680 1.00 0.00 C ATOM 1682 CG GLU A 119 9.157 1.763 -18.835 1.00 0.00 C ATOM 1683 CD GLU A 119 9.308 2.771 -17.718 1.00 0.00 C ATOM 1684 OE1 GLU A 119 10.158 2.562 -16.833 1.00 0.00 O ATOM 1685 OE2 GLU A 119 8.572 3.784 -17.723 1.00 0.00 O ATOM 0 H GLU A 119 9.867 -0.765 -19.443 1.00 0.00 H new ATOM 0 HA GLU A 119 9.470 1.108 -21.530 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.226 1.271 -19.055 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.702 2.627 -20.033 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.322 2.054 -19.472 1.00 0.00 H new ATOM 0 HG3 GLU A 119 8.910 0.790 -18.411 1.00 0.00 H new ATOM 1692 N ILE A 120 12.594 0.093 -21.043 1.00 0.00 N ATOM 1693 CA ILE A 120 13.912 0.006 -21.659 1.00 0.00 C ATOM 1694 C ILE A 120 13.851 -0.628 -23.050 1.00 0.00 C ATOM 1695 O ILE A 120 14.364 -0.055 -24.006 1.00 0.00 O ATOM 1696 CB ILE A 120 14.911 -0.769 -20.751 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.626 0.189 -19.793 1.00 0.00 C ATOM 1698 CG2 ILE A 120 15.940 -1.538 -21.572 1.00 0.00 C ATOM 1699 CD1 ILE A 120 14.723 0.888 -18.802 1.00 0.00 C ATOM 0 H ILE A 120 12.546 -0.298 -20.102 1.00 0.00 H new ATOM 0 HA ILE A 120 14.274 1.027 -21.775 1.00 0.00 H new ATOM 0 HB ILE A 120 14.330 -1.488 -20.174 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.383 -0.369 -19.242 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.150 0.943 -20.380 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.619 -2.066 -20.902 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.430 -2.258 -22.213 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.507 -0.841 -22.189 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.318 1.544 -18.167 1.00 0.00 H new ATOM 0 HD12 ILE A 120 13.981 1.478 -19.339 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.218 0.146 -18.184 1.00 0.00 H new ATOM 1711 N THR A 121 13.192 -1.776 -23.168 1.00 0.00 N ATOM 1712 CA THR A 121 13.174 -2.523 -24.424 1.00 0.00 C ATOM 1713 C THR A 121 12.628 -1.688 -25.580 1.00 0.00 C ATOM 1714 O THR A 121 13.155 -1.734 -26.695 1.00 0.00 O ATOM 1715 CB THR A 121 12.346 -3.812 -24.297 1.00 0.00 C ATOM 1716 OG1 THR A 121 11.064 -3.517 -23.728 1.00 0.00 O ATOM 1717 CG2 THR A 121 13.068 -4.837 -23.440 1.00 0.00 C ATOM 0 H THR A 121 12.664 -2.210 -22.411 1.00 0.00 H new ATOM 0 HA THR A 121 14.211 -2.780 -24.641 1.00 0.00 H new ATOM 0 HB THR A 121 12.210 -4.231 -25.294 1.00 0.00 H new ATOM 0 HG1 THR A 121 11.149 -3.434 -22.755 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.462 -5.740 -23.365 1.00 0.00 H new ATOM 0 HG22 THR A 121 14.028 -5.081 -23.895 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.233 -4.427 -22.444 1.00 0.00 H new ATOM 1725 N GLN A 122 11.584 -0.913 -25.310 1.00 0.00 N ATOM 1726 CA GLN A 122 10.971 -0.093 -26.342 1.00 0.00 C ATOM 1727 C GLN A 122 11.865 1.095 -26.686 1.00 0.00 C ATOM 1728 O GLN A 122 11.957 1.495 -27.846 1.00 0.00 O ATOM 1729 CB GLN A 122 9.585 0.393 -25.909 1.00 0.00 C ATOM 1730 CG GLN A 122 8.613 -0.727 -25.542 1.00 0.00 C ATOM 1731 CD GLN A 122 8.567 -1.848 -26.569 1.00 0.00 C ATOM 1732 OE1 GLN A 122 7.821 -1.785 -27.546 1.00 0.00 O ATOM 1733 NE2 GLN A 122 9.339 -2.897 -26.330 1.00 0.00 N ATOM 0 H GLN A 122 11.148 -0.837 -24.391 1.00 0.00 H new ATOM 0 HA GLN A 122 10.852 -0.710 -27.233 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.697 1.057 -25.052 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.152 0.985 -26.716 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.897 -1.142 -24.575 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.613 -0.308 -25.428 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.943 -2.909 -25.508 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.330 -3.693 -26.968 1.00 0.00 H new ATOM 1742 N LEU A 123 12.531 1.647 -25.677 1.00 0.00 N ATOM 1743 CA LEU A 123 13.460 2.754 -25.886 1.00 0.00 C ATOM 1744 C LEU A 123 14.684 2.297 -26.664 1.00 0.00 C ATOM 1745 O LEU A 123 15.137 2.999 -27.562 1.00 0.00 O ATOM 1746 CB LEU A 123 13.879 3.381 -24.552 1.00 0.00 C ATOM 1747 CG LEU A 123 12.983 4.521 -24.046 1.00 0.00 C ATOM 1748 CD1 LEU A 123 11.566 4.041 -23.784 1.00 0.00 C ATOM 1749 CD2 LEU A 123 13.571 5.134 -22.789 1.00 0.00 C ATOM 0 H LEU A 123 12.445 1.346 -24.706 1.00 0.00 H new ATOM 0 HA LEU A 123 12.943 3.513 -26.473 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.903 2.598 -23.794 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.896 3.759 -24.652 1.00 0.00 H new ATOM 0 HG LEU A 123 12.939 5.281 -24.826 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.960 4.874 -23.427 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.138 3.650 -24.707 1.00 0.00 H new ATOM 0 HD13 LEU A 123 11.582 3.254 -23.030 1.00 0.00 H new ATOM 0 HD21 LEU A 123 12.926 5.941 -22.441 1.00 0.00 H new ATOM 0 HD22 LEU A 123 13.648 4.371 -22.014 1.00 0.00 H new ATOM 0 HD23 LEU A 123 14.562 5.531 -23.007 1.00 0.00 H new ATOM 1761 N VAL A 124 15.209 1.121 -26.324 1.00 0.00 N ATOM 1762 CA VAL A 124 16.315 0.530 -27.073 1.00 0.00 C ATOM 1763 C VAL A 124 15.959 0.471 -28.544 1.00 0.00 C ATOM 1764 O VAL A 124 16.629 1.047 -29.395 1.00 0.00 O ATOM 1765 CB VAL A 124 16.610 -0.915 -26.625 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.762 -1.496 -27.434 1.00 0.00 C ATOM 1767 CG2 VAL A 124 16.927 -0.979 -25.140 1.00 0.00 C ATOM 0 H VAL A 124 14.886 0.560 -25.536 1.00 0.00 H new ATOM 0 HA VAL A 124 17.189 1.154 -26.890 1.00 0.00 H new ATOM 0 HB VAL A 124 15.714 -1.510 -26.805 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.958 -2.517 -27.106 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.499 -1.499 -28.492 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.655 -0.889 -27.284 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.130 -2.011 -24.856 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.802 -0.365 -24.928 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.076 -0.607 -24.570 1.00 0.00 H new ATOM 1777 N SER A 125 14.866 -0.216 -28.803 1.00 0.00 N ATOM 1778 CA SER A 125 14.386 -0.463 -30.138 1.00 0.00 C ATOM 1779 C SER A 125 14.087 0.843 -30.887 1.00 0.00 C ATOM 1780 O SER A 125 14.245 0.916 -32.104 1.00 0.00 O ATOM 1781 CB SER A 125 13.139 -1.326 -30.018 1.00 0.00 C ATOM 1782 OG SER A 125 13.451 -2.598 -29.476 1.00 0.00 O ATOM 0 H SER A 125 14.279 -0.624 -28.075 1.00 0.00 H new ATOM 0 HA SER A 125 15.152 -0.975 -30.721 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.407 -0.826 -29.384 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.681 -1.448 -31.000 1.00 0.00 H new ATOM 0 HG SER A 125 13.415 -2.554 -28.498 1.00 0.00 H new ATOM 1788 N MET A 126 13.670 1.869 -30.152 1.00 0.00 N ATOM 1789 CA MET A 126 13.352 3.161 -30.745 1.00 0.00 C ATOM 1790 C MET A 126 14.624 3.946 -31.050 1.00 0.00 C ATOM 1791 O MET A 126 14.831 4.408 -32.172 1.00 0.00 O ATOM 1792 CB MET A 126 12.457 3.969 -29.802 1.00 0.00 C ATOM 1793 CG MET A 126 12.075 5.334 -30.344 1.00 0.00 C ATOM 1794 SD MET A 126 11.021 6.263 -29.214 1.00 0.00 S ATOM 1795 CE MET A 126 12.096 6.407 -27.792 1.00 0.00 C ATOM 0 H MET A 126 13.544 1.829 -29.141 1.00 0.00 H new ATOM 0 HA MET A 126 12.821 2.984 -31.680 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.549 3.400 -29.601 1.00 0.00 H new ATOM 0 HB3 MET A 126 12.970 4.097 -28.849 1.00 0.00 H new ATOM 0 HG2 MET A 126 12.980 5.907 -30.544 1.00 0.00 H new ATOM 0 HG3 MET A 126 11.559 5.211 -31.296 1.00 0.00 H new ATOM 0 HE1 MET A 126 11.823 7.292 -27.218 1.00 0.00 H new ATOM 0 HE2 MET A 126 11.991 5.521 -27.165 1.00 0.00 H new ATOM 0 HE3 MET A 126 13.130 6.495 -28.125 1.00 0.00 H new ATOM 1805 N PHE A 127 15.480 4.075 -30.047 1.00 0.00 N ATOM 1806 CA PHE A 127 16.705 4.856 -30.167 1.00 0.00 C ATOM 1807 C PHE A 127 17.699 4.203 -31.126 1.00 0.00 C ATOM 1808 O PHE A 127 18.508 4.890 -31.747 1.00 0.00 O ATOM 1809 CB PHE A 127 17.339 5.050 -28.786 1.00 0.00 C ATOM 1810 CG PHE A 127 16.692 6.130 -27.965 1.00 0.00 C ATOM 1811 CD1 PHE A 127 16.739 7.453 -28.373 1.00 0.00 C ATOM 1812 CD2 PHE A 127 16.044 5.822 -26.779 1.00 0.00 C ATOM 1813 CE1 PHE A 127 16.148 8.448 -27.618 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.454 6.812 -26.020 1.00 0.00 C ATOM 1815 CZ PHE A 127 15.505 8.127 -26.439 1.00 0.00 C ATOM 0 H PHE A 127 15.348 3.645 -29.132 1.00 0.00 H new ATOM 0 HA PHE A 127 16.444 5.830 -30.582 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.286 4.110 -28.238 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.395 5.287 -28.912 1.00 0.00 H new ATOM 0 HD1 PHE A 127 17.244 7.710 -29.293 1.00 0.00 H new ATOM 0 HD2 PHE A 127 16.000 4.796 -26.445 1.00 0.00 H new ATOM 0 HE1 PHE A 127 16.189 9.475 -27.950 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.952 6.558 -25.098 1.00 0.00 H new ATOM 0 HZ PHE A 127 15.043 8.902 -25.846 1.00 0.00 H new ATOM 1825 N ALA A 128 17.622 2.882 -31.251 1.00 0.00 N ATOM 1826 CA ALA A 128 18.505 2.136 -32.140 1.00 0.00 C ATOM 1827 C ALA A 128 18.306 2.545 -33.592 1.00 0.00 C ATOM 1828 O ALA A 128 19.268 2.742 -34.332 1.00 0.00 O ATOM 1829 CB ALA A 128 18.259 0.645 -31.994 1.00 0.00 C ATOM 0 H ALA A 128 16.952 2.303 -30.744 1.00 0.00 H new ATOM 0 HA ALA A 128 19.532 2.367 -31.856 1.00 0.00 H new ATOM 0 HB1 ALA A 128 18.924 0.099 -32.663 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.452 0.343 -30.965 1.00 0.00 H new ATOM 0 HB3 ALA A 128 17.223 0.420 -32.250 1.00 0.00 H new ATOM 1835 N GLN A 129 17.049 2.672 -33.988 1.00 0.00 N ATOM 1836 CA GLN A 129 16.708 3.024 -35.358 1.00 0.00 C ATOM 1837 C GLN A 129 17.268 4.395 -35.718 1.00 0.00 C ATOM 1838 O GLN A 129 17.712 4.621 -36.843 1.00 0.00 O ATOM 1839 CB GLN A 129 15.191 3.015 -35.527 1.00 0.00 C ATOM 1840 CG GLN A 129 14.553 1.696 -35.125 1.00 0.00 C ATOM 1841 CD GLN A 129 14.835 0.572 -36.103 1.00 0.00 C ATOM 1842 OE1 GLN A 129 15.870 0.541 -36.766 1.00 0.00 O ATOM 1843 NE2 GLN A 129 13.910 -0.366 -36.194 1.00 0.00 N ATOM 0 H GLN A 129 16.244 2.536 -33.376 1.00 0.00 H new ATOM 0 HA GLN A 129 17.151 2.288 -36.029 1.00 0.00 H new ATOM 0 HB2 GLN A 129 14.760 3.817 -34.928 1.00 0.00 H new ATOM 0 HB3 GLN A 129 14.946 3.228 -36.568 1.00 0.00 H new ATOM 0 HG2 GLN A 129 14.917 1.410 -34.138 1.00 0.00 H new ATOM 0 HG3 GLN A 129 13.475 1.833 -35.040 1.00 0.00 H new ATOM 0 HE21 GLN A 129 13.064 -0.305 -35.627 1.00 0.00 H new ATOM 0 HE22 GLN A 129 14.041 -1.152 -36.831 1.00 0.00 H new