USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=41 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 114 GLN :FLIP amide:sc= -0.19 X(o=-0.58,f=-0.3) USER MOD Set 1.2: A 118 ASN :FLIP amide:sc= -0.105 X(o=-0.43,f=-0.3) USER MOD Set 2.1: A 103 ASN : amide:sc= 0.61 K(o=1.3,f=-1.5) USER MOD Set 2.2: A 107 GLN : amide:sc= 0.648 K(o=1.3,f=-0.61) USER MOD Set 3.1: A 67 GLN : amide:sc= 0 K(o=-1.6,f=-2.4) USER MOD Set 3.2: A 71 MET CE :methyl -170:sc= -1.55 (180deg=-2.12) USER MOD Set 4.1: A 62 SER OG : rot 1:sc= 0.748 USER MOD Set 4.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 30 MET CE :methyl -179:sc= -1.49 (180deg=-1.49) USER MOD Set 5.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 11 THR OG1 : rot -88:sc= 1.15 USER MOD Set 6.2: A 12 ASN : amide:sc= 0 X(o=1.2,f=1.1) USER MOD Single : A 8 THR OG1 : rot 22:sc= 0.486 USER MOD Single : A 18 ASN : amide:sc= 1.08 K(o=1.1,f=-0.31) USER MOD Single : A 20 MET CE :methyl -134:sc= -0.518 (180deg=-1.27) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 80:sc= 0.295 USER MOD Single : A 24 MET CE :methyl 169:sc= -3.16! (180deg=-3.98!) USER MOD Single : A 25 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.017) USER MOD Single : A 28 SER OG : rot -87:sc= 0.296 USER MOD Single : A 29 SER OG : rot -31:sc= 0.404 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.59 K(o=-2.6,f=-4.8!) USER MOD Single : A 41 MET CE :methyl -160:sc= 0 (180deg=-0.127) USER MOD Single : A 42 SER OG : rot -43:sc= 1.34 USER MOD Single : A 43 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 46 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.27) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 153:sc= -2.27 (180deg=-2.64) USER MOD Single : A 50 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.066) USER MOD Single : A 51 SER OG : rot 87:sc= 1.26 USER MOD Single : A 53 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.2) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0871 USER MOD Single : A 64 ASN : amide:sc= -0.0305 K(o=-0.03,f=-2.8!) USER MOD Single : A 70 ASN : amide:sc= 0.00779 K(o=0.0078,f=-1.7!) USER MOD Single : A 75 SER OG : rot 15:sc= 0.184 USER MOD Single : A 76 SER OG : rot 94:sc= 1.28 USER MOD Single : A 77 MET CE :methyl -175:sc= -1.57! (180deg=-1.62) USER MOD Single : A 89 SER OG : rot -100:sc= -0.0731 USER MOD Single : A 91 SER OG : rot 180:sc= 0.00299 USER MOD Single : A 92 THR OG1 : rot 111:sc= 0.0107 USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.05) USER MOD Single : A 94 THR OG1 : rot -82:sc= 1.11 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 59:sc= 1.31 USER MOD Single : A 101 MET CE :methyl 172:sc= -1.96 (180deg=-2.22) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -79:sc= -0.507 USER MOD Single : A 109 THR OG1 : rot -29:sc= 0.465 USER MOD Single : A 113 ASN : amide:sc= -1.48 K(o=-1.5,f=-9.8!) USER MOD Single : A 121 THR OG1 : rot -84:sc= 0.918 USER MOD Single : A 122 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.77) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl -151:sc= -0.137 (180deg=-0.827) USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 81 N THR A 8 14.247 -0.890 -7.466 1.00 0.00 N ATOM 82 CA THR A 8 14.887 -0.394 -8.674 1.00 0.00 C ATOM 83 C THR A 8 16.366 -0.782 -8.662 1.00 0.00 C ATOM 84 O THR A 8 17.017 -0.699 -7.629 1.00 0.00 O ATOM 85 CB THR A 8 14.742 1.140 -8.760 1.00 0.00 C ATOM 86 OG1 THR A 8 13.439 1.524 -8.293 1.00 0.00 O ATOM 87 CG2 THR A 8 14.930 1.648 -10.181 1.00 0.00 C ATOM 0 HA THR A 8 14.405 -0.838 -9.545 1.00 0.00 H new ATOM 0 HB THR A 8 15.519 1.582 -8.136 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.080 0.822 -7.712 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.820 2.732 -10.197 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.925 1.379 -10.535 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.180 1.197 -10.831 1.00 0.00 H new ATOM 95 N PRO A 9 16.912 -1.216 -9.806 1.00 0.00 N ATOM 96 CA PRO A 9 18.297 -1.709 -9.898 1.00 0.00 C ATOM 97 C PRO A 9 19.359 -0.636 -9.630 1.00 0.00 C ATOM 98 O PRO A 9 20.536 -0.952 -9.472 1.00 0.00 O ATOM 99 CB PRO A 9 18.408 -2.199 -11.346 1.00 0.00 C ATOM 100 CG PRO A 9 17.334 -1.473 -12.084 1.00 0.00 C ATOM 101 CD PRO A 9 16.219 -1.272 -11.101 1.00 0.00 C ATOM 0 HA PRO A 9 18.484 -2.472 -9.143 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.391 -1.979 -11.763 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.270 -3.278 -11.409 1.00 0.00 H new ATOM 0 HG2 PRO A 9 17.698 -0.517 -12.462 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.995 -2.048 -12.946 1.00 0.00 H new ATOM 0 HD2 PRO A 9 15.667 -0.354 -11.301 1.00 0.00 H new ATOM 0 HD3 PRO A 9 15.500 -2.090 -11.137 1.00 0.00 H new ATOM 109 N TRP A 10 18.944 0.625 -9.576 1.00 0.00 N ATOM 110 CA TRP A 10 19.896 1.726 -9.438 1.00 0.00 C ATOM 111 C TRP A 10 19.880 2.304 -8.023 1.00 0.00 C ATOM 112 O TRP A 10 20.430 3.377 -7.782 1.00 0.00 O ATOM 113 CB TRP A 10 19.576 2.847 -10.432 1.00 0.00 C ATOM 114 CG TRP A 10 19.129 2.377 -11.786 1.00 0.00 C ATOM 115 CD1 TRP A 10 17.991 2.760 -12.434 1.00 0.00 C ATOM 116 CD2 TRP A 10 19.789 1.439 -12.652 1.00 0.00 C ATOM 117 NE1 TRP A 10 17.905 2.128 -13.650 1.00 0.00 N ATOM 118 CE2 TRP A 10 18.993 1.313 -13.807 1.00 0.00 C ATOM 119 CE3 TRP A 10 20.974 0.700 -12.568 1.00 0.00 C ATOM 120 CZ2 TRP A 10 19.340 0.478 -14.866 1.00 0.00 C ATOM 121 CZ3 TRP A 10 21.314 -0.132 -13.620 1.00 0.00 C ATOM 122 CH2 TRP A 10 20.501 -0.236 -14.754 1.00 0.00 C ATOM 0 H TRP A 10 17.966 0.910 -9.625 1.00 0.00 H new ATOM 0 HA TRP A 10 20.886 1.320 -9.646 1.00 0.00 H new ATOM 0 HB2 TRP A 10 18.797 3.480 -10.007 1.00 0.00 H new ATOM 0 HB3 TRP A 10 20.462 3.470 -10.553 1.00 0.00 H new ATOM 0 HD1 TRP A 10 17.264 3.458 -12.047 1.00 0.00 H new ATOM 0 HE1 TRP A 10 17.152 2.247 -14.327 1.00 0.00 H new ATOM 0 HE3 TRP A 10 21.611 0.777 -11.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 18.715 0.397 -15.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 22.224 -0.712 -13.565 1.00 0.00 H new ATOM 0 HH2 TRP A 10 20.797 -0.894 -15.558 1.00 0.00 H new ATOM 133 N THR A 11 19.252 1.598 -7.092 1.00 0.00 N ATOM 134 CA THR A 11 19.128 2.079 -5.728 1.00 0.00 C ATOM 135 C THR A 11 20.453 2.000 -4.984 1.00 0.00 C ATOM 136 O THR A 11 20.865 2.951 -4.320 1.00 0.00 O ATOM 137 CB THR A 11 18.082 1.257 -4.965 1.00 0.00 C ATOM 138 OG1 THR A 11 18.286 -0.138 -5.223 1.00 0.00 O ATOM 139 CG2 THR A 11 16.671 1.660 -5.366 1.00 0.00 C ATOM 0 H THR A 11 18.821 0.689 -7.260 1.00 0.00 H new ATOM 0 HA THR A 11 18.817 3.122 -5.781 1.00 0.00 H new ATOM 0 HB THR A 11 18.199 1.452 -3.899 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.785 -0.399 -6.024 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.950 1.061 -4.810 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.516 2.715 -5.142 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.534 1.492 -6.434 1.00 0.00 H new ATOM 147 N ASN A 12 21.115 0.860 -5.103 1.00 0.00 N ATOM 148 CA ASN A 12 22.355 0.619 -4.384 1.00 0.00 C ATOM 149 C ASN A 12 23.456 0.197 -5.343 1.00 0.00 C ATOM 150 O ASN A 12 23.211 -0.569 -6.278 1.00 0.00 O ATOM 151 CB ASN A 12 22.154 -0.463 -3.316 1.00 0.00 C ATOM 152 CG ASN A 12 21.231 -0.027 -2.192 1.00 0.00 C ATOM 153 OD1 ASN A 12 21.675 0.538 -1.195 1.00 0.00 O ATOM 154 ND2 ASN A 12 19.940 -0.300 -2.334 1.00 0.00 N ATOM 0 H ASN A 12 20.813 0.085 -5.693 1.00 0.00 H new ATOM 0 HA ASN A 12 22.650 1.548 -3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.746 -1.358 -3.786 1.00 0.00 H new ATOM 0 HB3 ASN A 12 23.123 -0.736 -2.897 1.00 0.00 H new ATOM 0 HD21 ASN A 12 19.280 -0.039 -1.601 1.00 0.00 H new ATOM 0 HD22 ASN A 12 19.608 -0.770 -3.176 1.00 0.00 H new ATOM 161 N PRO A 13 24.686 0.702 -5.128 1.00 0.00 N ATOM 162 CA PRO A 13 25.850 0.351 -5.953 1.00 0.00 C ATOM 163 C PRO A 13 26.050 -1.155 -6.067 1.00 0.00 C ATOM 164 O PRO A 13 26.353 -1.671 -7.146 1.00 0.00 O ATOM 165 CB PRO A 13 27.020 0.980 -5.195 1.00 0.00 C ATOM 166 CG PRO A 13 26.419 2.118 -4.452 1.00 0.00 C ATOM 167 CD PRO A 13 25.035 1.676 -4.074 1.00 0.00 C ATOM 0 HA PRO A 13 25.741 0.704 -6.978 1.00 0.00 H new ATOM 0 HB2 PRO A 13 27.483 0.264 -4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 13 27.798 1.320 -5.879 1.00 0.00 H new ATOM 0 HG2 PRO A 13 27.007 2.361 -3.567 1.00 0.00 H new ATOM 0 HG3 PRO A 13 26.388 3.015 -5.070 1.00 0.00 H new ATOM 0 HD2 PRO A 13 25.015 1.221 -3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 13 24.337 2.513 -4.054 1.00 0.00 H new ATOM 175 N GLY A 14 25.870 -1.852 -4.949 1.00 0.00 N ATOM 176 CA GLY A 14 26.015 -3.292 -4.935 1.00 0.00 C ATOM 177 C GLY A 14 25.020 -3.973 -5.850 1.00 0.00 C ATOM 178 O GLY A 14 25.386 -4.842 -6.637 1.00 0.00 O ATOM 0 H GLY A 14 25.625 -1.440 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 14 27.027 -3.557 -5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 14 25.882 -3.660 -3.918 1.00 0.00 H new ATOM 182 N LEU A 15 23.761 -3.574 -5.760 1.00 0.00 N ATOM 183 CA LEU A 15 22.729 -4.130 -6.624 1.00 0.00 C ATOM 184 C LEU A 15 23.034 -3.807 -8.083 1.00 0.00 C ATOM 185 O LEU A 15 22.881 -4.656 -8.960 1.00 0.00 O ATOM 186 CB LEU A 15 21.348 -3.584 -6.233 1.00 0.00 C ATOM 187 CG LEU A 15 20.174 -4.110 -7.068 1.00 0.00 C ATOM 188 CD1 LEU A 15 20.102 -5.624 -6.998 1.00 0.00 C ATOM 189 CD2 LEU A 15 18.863 -3.501 -6.600 1.00 0.00 C ATOM 0 H LEU A 15 23.429 -2.870 -5.101 1.00 0.00 H new ATOM 0 HA LEU A 15 22.718 -5.213 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.164 -3.824 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.370 -2.497 -6.312 1.00 0.00 H new ATOM 0 HG LEU A 15 20.341 -3.817 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 15 19.262 -5.976 -7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.028 -6.051 -7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.964 -5.934 -5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.045 -3.889 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.694 -3.760 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.908 -2.417 -6.702 1.00 0.00 H new ATOM 201 N ALA A 16 23.494 -2.585 -8.322 1.00 0.00 N ATOM 202 CA ALA A 16 23.806 -2.120 -9.667 1.00 0.00 C ATOM 203 C ALA A 16 24.907 -2.954 -10.318 1.00 0.00 C ATOM 204 O ALA A 16 24.751 -3.419 -11.450 1.00 0.00 O ATOM 205 CB ALA A 16 24.208 -0.654 -9.631 1.00 0.00 C ATOM 0 H ALA A 16 23.661 -1.892 -7.593 1.00 0.00 H new ATOM 0 HA ALA A 16 22.908 -2.235 -10.273 1.00 0.00 H new ATOM 0 HB1 ALA A 16 24.439 -0.315 -10.641 1.00 0.00 H new ATOM 0 HB2 ALA A 16 23.386 -0.061 -9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.087 -0.533 -8.998 1.00 0.00 H new ATOM 211 N GLU A 17 26.018 -3.153 -9.609 1.00 0.00 N ATOM 212 CA GLU A 17 27.138 -3.888 -10.165 1.00 0.00 C ATOM 213 C GLU A 17 26.775 -5.353 -10.395 1.00 0.00 C ATOM 214 O GLU A 17 27.174 -5.942 -11.397 1.00 0.00 O ATOM 215 CB GLU A 17 28.362 -3.789 -9.253 1.00 0.00 C ATOM 216 CG GLU A 17 28.154 -4.389 -7.874 1.00 0.00 C ATOM 217 CD GLU A 17 29.398 -5.056 -7.333 1.00 0.00 C ATOM 218 OE1 GLU A 17 29.625 -6.239 -7.652 1.00 0.00 O ATOM 219 OE2 GLU A 17 30.153 -4.407 -6.582 1.00 0.00 O ATOM 0 H GLU A 17 26.160 -2.816 -8.657 1.00 0.00 H new ATOM 0 HA GLU A 17 27.381 -3.437 -11.127 1.00 0.00 H new ATOM 0 HB2 GLU A 17 29.202 -4.291 -9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 17 28.637 -2.740 -9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 17 27.839 -3.605 -7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 17 27.346 -5.119 -7.918 1.00 0.00 H new ATOM 226 N ASN A 18 26.008 -5.934 -9.475 1.00 0.00 N ATOM 227 CA ASN A 18 25.610 -7.326 -9.585 1.00 0.00 C ATOM 228 C ASN A 18 24.594 -7.508 -10.702 1.00 0.00 C ATOM 229 O ASN A 18 24.563 -8.550 -11.363 1.00 0.00 O ATOM 230 CB ASN A 18 25.038 -7.835 -8.263 1.00 0.00 C ATOM 231 CG ASN A 18 26.115 -8.175 -7.249 1.00 0.00 C ATOM 232 OD1 ASN A 18 26.648 -9.284 -7.244 1.00 0.00 O ATOM 233 ND2 ASN A 18 26.428 -7.237 -6.375 1.00 0.00 N ATOM 0 H ASN A 18 25.652 -5.458 -8.646 1.00 0.00 H new ATOM 0 HA ASN A 18 26.498 -7.911 -9.824 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.376 -7.078 -7.843 1.00 0.00 H new ATOM 0 HB3 ASN A 18 24.431 -8.720 -8.452 1.00 0.00 H new ATOM 0 HD21 ASN A 18 27.135 -7.419 -5.662 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.963 -6.330 -6.412 1.00 0.00 H new ATOM 240 N PHE A 19 23.763 -6.493 -10.911 1.00 0.00 N ATOM 241 CA PHE A 19 22.817 -6.502 -12.015 1.00 0.00 C ATOM 242 C PHE A 19 23.572 -6.531 -13.336 1.00 0.00 C ATOM 243 O PHE A 19 23.314 -7.381 -14.183 1.00 0.00 O ATOM 244 CB PHE A 19 21.894 -5.279 -11.950 1.00 0.00 C ATOM 245 CG PHE A 19 20.903 -5.202 -13.082 1.00 0.00 C ATOM 246 CD1 PHE A 19 19.791 -6.029 -13.112 1.00 0.00 C ATOM 247 CD2 PHE A 19 21.088 -4.301 -14.121 1.00 0.00 C ATOM 248 CE1 PHE A 19 18.883 -5.958 -14.152 1.00 0.00 C ATOM 249 CE2 PHE A 19 20.184 -4.226 -15.164 1.00 0.00 C ATOM 250 CZ PHE A 19 19.081 -5.055 -15.179 1.00 0.00 C ATOM 0 H PHE A 19 23.727 -5.655 -10.330 1.00 0.00 H new ATOM 0 HA PHE A 19 22.197 -7.395 -11.940 1.00 0.00 H new ATOM 0 HB2 PHE A 19 21.351 -5.296 -11.005 1.00 0.00 H new ATOM 0 HB3 PHE A 19 22.504 -4.375 -11.951 1.00 0.00 H new ATOM 0 HD1 PHE A 19 19.632 -6.738 -12.313 1.00 0.00 H new ATOM 0 HD2 PHE A 19 21.950 -3.650 -14.115 1.00 0.00 H new ATOM 0 HE1 PHE A 19 18.020 -6.607 -14.162 1.00 0.00 H new ATOM 0 HE2 PHE A 19 20.341 -3.520 -15.966 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.373 -4.998 -15.993 1.00 0.00 H new ATOM 260 N MET A 20 24.522 -5.616 -13.485 1.00 0.00 N ATOM 261 CA MET A 20 25.344 -5.551 -14.690 1.00 0.00 C ATOM 262 C MET A 20 26.175 -6.819 -14.848 1.00 0.00 C ATOM 263 O MET A 20 26.335 -7.332 -15.956 1.00 0.00 O ATOM 264 CB MET A 20 26.268 -4.331 -14.649 1.00 0.00 C ATOM 265 CG MET A 20 25.535 -3.002 -14.743 1.00 0.00 C ATOM 266 SD MET A 20 24.649 -2.813 -16.301 1.00 0.00 S ATOM 267 CE MET A 20 24.014 -1.147 -16.127 1.00 0.00 C ATOM 0 H MET A 20 24.744 -4.907 -12.786 1.00 0.00 H new ATOM 0 HA MET A 20 24.675 -5.460 -15.545 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.843 -4.353 -13.723 1.00 0.00 H new ATOM 0 HB3 MET A 20 26.982 -4.400 -15.470 1.00 0.00 H new ATOM 0 HG2 MET A 20 24.830 -2.920 -13.915 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.251 -2.187 -14.634 1.00 0.00 H new ATOM 0 HE1 MET A 20 22.963 -1.126 -16.417 1.00 0.00 H new ATOM 0 HE2 MET A 20 24.111 -0.827 -15.089 1.00 0.00 H new ATOM 0 HE3 MET A 20 24.581 -0.473 -16.769 1.00 0.00 H new ATOM 277 N ASN A 21 26.702 -7.314 -13.734 1.00 0.00 N ATOM 278 CA ASN A 21 27.452 -8.560 -13.714 1.00 0.00 C ATOM 279 C ASN A 21 26.654 -9.693 -14.342 1.00 0.00 C ATOM 280 O ASN A 21 27.066 -10.276 -15.342 1.00 0.00 O ATOM 281 CB ASN A 21 27.803 -8.926 -12.275 1.00 0.00 C ATOM 282 CG ASN A 21 29.225 -9.397 -12.143 1.00 0.00 C ATOM 283 OD1 ASN A 21 29.518 -10.582 -12.287 1.00 0.00 O ATOM 284 ND2 ASN A 21 30.118 -8.467 -11.855 1.00 0.00 N ATOM 0 H ASN A 21 26.621 -6.863 -12.823 1.00 0.00 H new ATOM 0 HA ASN A 21 28.363 -8.416 -14.295 1.00 0.00 H new ATOM 0 HB2 ASN A 21 27.647 -8.059 -11.632 1.00 0.00 H new ATOM 0 HB3 ASN A 21 27.129 -9.708 -11.925 1.00 0.00 H new ATOM 0 HD21 ASN A 21 31.100 -8.720 -11.743 1.00 0.00 H new ATOM 0 HD22 ASN A 21 29.826 -7.496 -11.745 1.00 0.00 H new ATOM 291 N SER A 22 25.501 -9.989 -13.756 1.00 0.00 N ATOM 292 CA SER A 22 24.655 -11.061 -14.225 1.00 0.00 C ATOM 293 C SER A 22 24.078 -10.743 -15.606 1.00 0.00 C ATOM 294 O SER A 22 23.773 -11.649 -16.386 1.00 0.00 O ATOM 295 CB SER A 22 23.549 -11.289 -13.205 1.00 0.00 C ATOM 296 OG SER A 22 24.099 -11.501 -11.913 1.00 0.00 O ATOM 0 H SER A 22 25.133 -9.490 -12.946 1.00 0.00 H new ATOM 0 HA SER A 22 25.244 -11.972 -14.330 1.00 0.00 H new ATOM 0 HB2 SER A 22 22.881 -10.428 -13.185 1.00 0.00 H new ATOM 0 HB3 SER A 22 22.949 -12.151 -13.497 1.00 0.00 H new ATOM 0 HG SER A 22 24.341 -10.639 -11.515 1.00 0.00 H new ATOM 302 N PHE A 23 23.941 -9.453 -15.903 1.00 0.00 N ATOM 303 CA PHE A 23 23.514 -9.006 -17.224 1.00 0.00 C ATOM 304 C PHE A 23 24.480 -9.513 -18.286 1.00 0.00 C ATOM 305 O PHE A 23 24.068 -10.086 -19.292 1.00 0.00 O ATOM 306 CB PHE A 23 23.433 -7.475 -17.265 1.00 0.00 C ATOM 307 CG PHE A 23 23.151 -6.906 -18.628 1.00 0.00 C ATOM 308 CD1 PHE A 23 21.890 -7.013 -19.190 1.00 0.00 C ATOM 309 CD2 PHE A 23 24.147 -6.259 -19.341 1.00 0.00 C ATOM 310 CE1 PHE A 23 21.630 -6.485 -20.440 1.00 0.00 C ATOM 311 CE2 PHE A 23 23.894 -5.731 -20.591 1.00 0.00 C ATOM 312 CZ PHE A 23 22.633 -5.844 -21.143 1.00 0.00 C ATOM 0 H PHE A 23 24.121 -8.697 -15.243 1.00 0.00 H new ATOM 0 HA PHE A 23 22.524 -9.412 -17.430 1.00 0.00 H new ATOM 0 HB2 PHE A 23 22.653 -7.146 -16.578 1.00 0.00 H new ATOM 0 HB3 PHE A 23 24.374 -7.063 -16.900 1.00 0.00 H new ATOM 0 HD1 PHE A 23 21.103 -7.514 -18.646 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.134 -6.166 -18.913 1.00 0.00 H new ATOM 0 HE1 PHE A 23 20.642 -6.573 -20.868 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.681 -5.231 -21.136 1.00 0.00 H new ATOM 0 HZ PHE A 23 22.431 -5.433 -22.121 1.00 0.00 H new ATOM 322 N MET A 24 25.768 -9.321 -18.037 1.00 0.00 N ATOM 323 CA MET A 24 26.800 -9.743 -18.973 1.00 0.00 C ATOM 324 C MET A 24 26.870 -11.262 -19.056 1.00 0.00 C ATOM 325 O MET A 24 27.068 -11.814 -20.135 1.00 0.00 O ATOM 326 CB MET A 24 28.162 -9.174 -18.568 1.00 0.00 C ATOM 327 CG MET A 24 28.238 -7.651 -18.597 1.00 0.00 C ATOM 328 SD MET A 24 28.665 -6.967 -20.220 1.00 0.00 S ATOM 329 CE MET A 24 27.305 -7.510 -21.249 1.00 0.00 C ATOM 0 H MET A 24 26.124 -8.874 -17.192 1.00 0.00 H new ATOM 0 HA MET A 24 26.538 -9.355 -19.958 1.00 0.00 H new ATOM 0 HB2 MET A 24 28.403 -9.519 -17.563 1.00 0.00 H new ATOM 0 HB3 MET A 24 28.924 -9.577 -19.235 1.00 0.00 H new ATOM 0 HG2 MET A 24 27.277 -7.243 -18.283 1.00 0.00 H new ATOM 0 HG3 MET A 24 28.978 -7.320 -17.868 1.00 0.00 H new ATOM 0 HE1 MET A 24 27.348 -6.997 -22.210 1.00 0.00 H new ATOM 0 HE2 MET A 24 27.377 -8.586 -21.409 1.00 0.00 H new ATOM 0 HE3 MET A 24 26.361 -7.279 -20.756 1.00 0.00 H new ATOM 339 N GLN A 25 26.681 -11.924 -17.913 1.00 0.00 N ATOM 340 CA GLN A 25 26.703 -13.387 -17.848 1.00 0.00 C ATOM 341 C GLN A 25 25.679 -13.992 -18.804 1.00 0.00 C ATOM 342 O GLN A 25 25.920 -15.031 -19.417 1.00 0.00 O ATOM 343 CB GLN A 25 26.407 -13.865 -16.420 1.00 0.00 C ATOM 344 CG GLN A 25 27.365 -13.332 -15.366 1.00 0.00 C ATOM 345 CD GLN A 25 28.792 -13.793 -15.574 1.00 0.00 C ATOM 346 OE1 GLN A 25 29.579 -13.133 -16.253 1.00 0.00 O ATOM 347 NE2 GLN A 25 29.139 -14.921 -14.979 1.00 0.00 N ATOM 0 H GLN A 25 26.510 -11.468 -17.017 1.00 0.00 H new ATOM 0 HA GLN A 25 27.699 -13.717 -18.142 1.00 0.00 H new ATOM 0 HB2 GLN A 25 25.392 -13.568 -16.154 1.00 0.00 H new ATOM 0 HB3 GLN A 25 26.436 -14.954 -16.402 1.00 0.00 H new ATOM 0 HG2 GLN A 25 27.336 -12.242 -15.375 1.00 0.00 H new ATOM 0 HG3 GLN A 25 27.026 -13.652 -14.381 1.00 0.00 H new ATOM 0 HE21 GLN A 25 28.455 -15.437 -14.425 1.00 0.00 H new ATOM 0 HE22 GLN A 25 30.091 -15.276 -15.073 1.00 0.00 H new ATOM 356 N GLY A 26 24.530 -13.338 -18.921 1.00 0.00 N ATOM 357 CA GLY A 26 23.497 -13.819 -19.812 1.00 0.00 C ATOM 358 C GLY A 26 23.644 -13.265 -21.215 1.00 0.00 C ATOM 359 O GLY A 26 23.301 -13.929 -22.189 1.00 0.00 O ATOM 0 H GLY A 26 24.297 -12.484 -18.414 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.530 -14.908 -19.848 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.520 -13.543 -19.415 1.00 0.00 H new ATOM 363 N LEU A 27 24.170 -12.047 -21.315 1.00 0.00 N ATOM 364 CA LEU A 27 24.315 -11.367 -22.598 1.00 0.00 C ATOM 365 C LEU A 27 25.319 -12.100 -23.489 1.00 0.00 C ATOM 366 O LEU A 27 25.169 -12.131 -24.709 1.00 0.00 O ATOM 367 CB LEU A 27 24.761 -9.915 -22.369 1.00 0.00 C ATOM 368 CG LEU A 27 24.129 -8.850 -23.283 1.00 0.00 C ATOM 369 CD1 LEU A 27 24.523 -9.057 -24.731 1.00 0.00 C ATOM 370 CD2 LEU A 27 22.615 -8.850 -23.142 1.00 0.00 C ATOM 0 H LEU A 27 24.505 -11.508 -20.516 1.00 0.00 H new ATOM 0 HA LEU A 27 23.350 -11.367 -23.105 1.00 0.00 H new ATOM 0 HB2 LEU A 27 24.542 -9.650 -21.335 1.00 0.00 H new ATOM 0 HB3 LEU A 27 25.843 -9.868 -22.488 1.00 0.00 H new ATOM 0 HG LEU A 27 24.510 -7.879 -22.967 1.00 0.00 H new ATOM 0 HD11 LEU A 27 24.059 -8.287 -25.348 1.00 0.00 H new ATOM 0 HD12 LEU A 27 25.607 -8.993 -24.826 1.00 0.00 H new ATOM 0 HD13 LEU A 27 24.187 -10.039 -25.063 1.00 0.00 H new ATOM 0 HD21 LEU A 27 22.189 -8.090 -23.797 1.00 0.00 H new ATOM 0 HD22 LEU A 27 22.224 -9.829 -23.419 1.00 0.00 H new ATOM 0 HD23 LEU A 27 22.346 -8.631 -22.109 1.00 0.00 H new ATOM 382 N SER A 28 26.325 -12.710 -22.874 1.00 0.00 N ATOM 383 CA SER A 28 27.342 -13.444 -23.608 1.00 0.00 C ATOM 384 C SER A 28 26.775 -14.745 -24.184 1.00 0.00 C ATOM 385 O SER A 28 27.370 -15.359 -25.072 1.00 0.00 O ATOM 386 CB SER A 28 28.518 -13.735 -22.680 1.00 0.00 C ATOM 387 OG SER A 28 28.077 -14.338 -21.476 1.00 0.00 O ATOM 0 H SER A 28 26.456 -12.709 -21.862 1.00 0.00 H new ATOM 0 HA SER A 28 27.682 -12.836 -24.446 1.00 0.00 H new ATOM 0 HB2 SER A 28 29.228 -14.393 -23.182 1.00 0.00 H new ATOM 0 HB3 SER A 28 29.046 -12.809 -22.455 1.00 0.00 H new ATOM 0 HG SER A 28 27.837 -13.641 -20.830 1.00 0.00 H new ATOM 393 N SER A 29 25.616 -15.150 -23.682 1.00 0.00 N ATOM 394 CA SER A 29 24.956 -16.354 -24.155 1.00 0.00 C ATOM 395 C SER A 29 23.975 -16.009 -25.271 1.00 0.00 C ATOM 396 O SER A 29 23.360 -16.892 -25.874 1.00 0.00 O ATOM 397 CB SER A 29 24.225 -17.046 -22.999 1.00 0.00 C ATOM 398 OG SER A 29 23.570 -18.229 -23.433 1.00 0.00 O ATOM 0 H SER A 29 25.113 -14.658 -22.944 1.00 0.00 H new ATOM 0 HA SER A 29 25.709 -17.037 -24.549 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.937 -17.291 -22.211 1.00 0.00 H new ATOM 0 HB3 SER A 29 23.495 -16.362 -22.567 1.00 0.00 H new ATOM 0 HG SER A 29 23.292 -18.125 -24.367 1.00 0.00 H new ATOM 404 N MET A 30 23.846 -14.719 -25.552 1.00 0.00 N ATOM 405 CA MET A 30 22.907 -14.243 -26.552 1.00 0.00 C ATOM 406 C MET A 30 23.585 -14.159 -27.913 1.00 0.00 C ATOM 407 O MET A 30 24.645 -13.549 -28.051 1.00 0.00 O ATOM 408 CB MET A 30 22.363 -12.866 -26.162 1.00 0.00 C ATOM 409 CG MET A 30 21.760 -12.808 -24.767 1.00 0.00 C ATOM 410 SD MET A 30 20.291 -13.833 -24.585 1.00 0.00 S ATOM 411 CE MET A 30 19.896 -13.538 -22.860 1.00 0.00 C ATOM 0 H MET A 30 24.385 -13.982 -25.097 1.00 0.00 H new ATOM 0 HA MET A 30 22.078 -14.948 -26.608 1.00 0.00 H new ATOM 0 HB2 MET A 30 23.170 -12.137 -26.228 1.00 0.00 H new ATOM 0 HB3 MET A 30 21.605 -12.568 -26.886 1.00 0.00 H new ATOM 0 HG2 MET A 30 22.509 -13.126 -24.041 1.00 0.00 H new ATOM 0 HG3 MET A 30 21.505 -11.775 -24.531 1.00 0.00 H new ATOM 0 HE1 MET A 30 19.016 -14.119 -22.584 1.00 0.00 H new ATOM 0 HE2 MET A 30 20.739 -13.838 -22.237 1.00 0.00 H new ATOM 0 HE3 MET A 30 19.693 -12.478 -22.709 1.00 0.00 H new ATOM 421 N PRO A 31 22.975 -14.767 -28.940 1.00 0.00 N ATOM 422 CA PRO A 31 23.495 -14.728 -30.310 1.00 0.00 C ATOM 423 C PRO A 31 23.224 -13.395 -30.987 1.00 0.00 C ATOM 424 O PRO A 31 23.596 -13.166 -32.136 1.00 0.00 O ATOM 425 CB PRO A 31 22.723 -15.843 -31.002 1.00 0.00 C ATOM 426 CG PRO A 31 21.425 -15.908 -30.273 1.00 0.00 C ATOM 427 CD PRO A 31 21.732 -15.556 -28.843 1.00 0.00 C ATOM 0 HA PRO A 31 24.577 -14.851 -30.346 1.00 0.00 H new ATOM 0 HB2 PRO A 31 22.574 -15.625 -32.059 1.00 0.00 H new ATOM 0 HB3 PRO A 31 23.258 -16.791 -30.945 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.703 -15.212 -30.700 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.987 -16.904 -30.344 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.925 -14.980 -28.390 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.870 -16.448 -28.231 1.00 0.00 H new ATOM 435 N GLY A 32 22.566 -12.533 -30.248 1.00 0.00 N ATOM 436 CA GLY A 32 22.200 -11.225 -30.750 1.00 0.00 C ATOM 437 C GLY A 32 23.373 -10.268 -30.813 1.00 0.00 C ATOM 438 O GLY A 32 23.372 -9.339 -31.617 1.00 0.00 O ATOM 0 H GLY A 32 22.270 -12.714 -29.289 1.00 0.00 H new ATOM 0 HA2 GLY A 32 21.770 -11.331 -31.746 1.00 0.00 H new ATOM 0 HA3 GLY A 32 21.425 -10.800 -30.112 1.00 0.00 H new ATOM 442 N PHE A 33 24.375 -10.485 -29.972 1.00 0.00 N ATOM 443 CA PHE A 33 25.526 -9.591 -29.918 1.00 0.00 C ATOM 444 C PHE A 33 26.833 -10.376 -29.983 1.00 0.00 C ATOM 445 O PHE A 33 26.887 -11.546 -29.598 1.00 0.00 O ATOM 446 CB PHE A 33 25.496 -8.744 -28.640 1.00 0.00 C ATOM 447 CG PHE A 33 24.339 -7.783 -28.562 1.00 0.00 C ATOM 448 CD1 PHE A 33 24.410 -6.539 -29.168 1.00 0.00 C ATOM 449 CD2 PHE A 33 23.186 -8.120 -27.871 1.00 0.00 C ATOM 450 CE1 PHE A 33 23.356 -5.652 -29.091 1.00 0.00 C ATOM 451 CE2 PHE A 33 22.127 -7.237 -27.791 1.00 0.00 C ATOM 452 CZ PHE A 33 22.213 -6.001 -28.400 1.00 0.00 C ATOM 0 H PHE A 33 24.415 -11.268 -29.320 1.00 0.00 H new ATOM 0 HA PHE A 33 25.471 -8.931 -30.783 1.00 0.00 H new ATOM 0 HB2 PHE A 33 25.459 -9.409 -27.778 1.00 0.00 H new ATOM 0 HB3 PHE A 33 26.427 -8.181 -28.569 1.00 0.00 H new ATOM 0 HD1 PHE A 33 25.303 -6.260 -29.708 1.00 0.00 H new ATOM 0 HD2 PHE A 33 23.115 -9.084 -27.390 1.00 0.00 H new ATOM 0 HE1 PHE A 33 23.425 -4.687 -29.570 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.232 -7.513 -27.253 1.00 0.00 H new ATOM 0 HZ PHE A 33 21.387 -5.308 -28.336 1.00 0.00 H new ATOM 462 N THR A 34 27.880 -9.725 -30.475 1.00 0.00 N ATOM 463 CA THR A 34 29.198 -10.338 -30.556 1.00 0.00 C ATOM 464 C THR A 34 30.068 -9.858 -29.394 1.00 0.00 C ATOM 465 O THR A 34 29.674 -8.953 -28.656 1.00 0.00 O ATOM 466 CB THR A 34 29.888 -10.007 -31.898 1.00 0.00 C ATOM 467 OG1 THR A 34 31.048 -10.826 -32.077 1.00 0.00 O ATOM 468 CG2 THR A 34 30.296 -8.545 -31.956 1.00 0.00 C ATOM 0 H THR A 34 27.840 -8.768 -30.825 1.00 0.00 H new ATOM 0 HA THR A 34 29.072 -11.419 -30.496 1.00 0.00 H new ATOM 0 HB THR A 34 29.173 -10.206 -32.696 1.00 0.00 H new ATOM 0 HG1 THR A 34 31.474 -10.607 -32.932 1.00 0.00 H new ATOM 0 HG21 THR A 34 30.779 -8.340 -32.911 1.00 0.00 H new ATOM 0 HG22 THR A 34 29.412 -7.916 -31.854 1.00 0.00 H new ATOM 0 HG23 THR A 34 30.990 -8.329 -31.144 1.00 0.00 H new ATOM 476 N ALA A 35 31.250 -10.446 -29.248 1.00 0.00 N ATOM 477 CA ALA A 35 32.141 -10.127 -28.137 1.00 0.00 C ATOM 478 C ALA A 35 32.580 -8.665 -28.164 1.00 0.00 C ATOM 479 O ALA A 35 32.724 -8.036 -27.116 1.00 0.00 O ATOM 480 CB ALA A 35 33.352 -11.046 -28.147 1.00 0.00 C ATOM 0 H ALA A 35 31.616 -11.150 -29.889 1.00 0.00 H new ATOM 0 HA ALA A 35 31.584 -10.285 -27.213 1.00 0.00 H new ATOM 0 HB1 ALA A 35 34.006 -10.795 -27.312 1.00 0.00 H new ATOM 0 HB2 ALA A 35 33.024 -12.081 -28.052 1.00 0.00 H new ATOM 0 HB3 ALA A 35 33.895 -10.922 -29.084 1.00 0.00 H new ATOM 486 N SER A 36 32.775 -8.122 -29.360 1.00 0.00 N ATOM 487 CA SER A 36 33.167 -6.722 -29.506 1.00 0.00 C ATOM 488 C SER A 36 32.066 -5.804 -28.972 1.00 0.00 C ATOM 489 O SER A 36 32.335 -4.761 -28.370 1.00 0.00 O ATOM 490 CB SER A 36 33.457 -6.405 -30.977 1.00 0.00 C ATOM 491 OG SER A 36 34.049 -5.125 -31.126 1.00 0.00 O ATOM 0 H SER A 36 32.669 -8.626 -30.240 1.00 0.00 H new ATOM 0 HA SER A 36 34.074 -6.550 -28.926 1.00 0.00 H new ATOM 0 HB2 SER A 36 34.121 -7.164 -31.390 1.00 0.00 H new ATOM 0 HB3 SER A 36 32.530 -6.447 -31.549 1.00 0.00 H new ATOM 0 HG SER A 36 34.223 -4.953 -32.075 1.00 0.00 H new ATOM 497 N GLN A 37 30.822 -6.217 -29.176 1.00 0.00 N ATOM 498 CA GLN A 37 29.670 -5.472 -28.692 1.00 0.00 C ATOM 499 C GLN A 37 29.484 -5.696 -27.197 1.00 0.00 C ATOM 500 O GLN A 37 28.993 -4.822 -26.489 1.00 0.00 O ATOM 501 CB GLN A 37 28.429 -5.890 -29.477 1.00 0.00 C ATOM 502 CG GLN A 37 28.527 -5.510 -30.945 1.00 0.00 C ATOM 503 CD GLN A 37 27.520 -6.219 -31.823 1.00 0.00 C ATOM 504 OE1 GLN A 37 26.412 -6.540 -31.400 1.00 0.00 O ATOM 505 NE2 GLN A 37 27.916 -6.495 -33.050 1.00 0.00 N ATOM 0 H GLN A 37 30.585 -7.072 -29.678 1.00 0.00 H new ATOM 0 HA GLN A 37 29.834 -4.405 -28.846 1.00 0.00 H new ATOM 0 HB2 GLN A 37 28.292 -6.968 -29.390 1.00 0.00 H new ATOM 0 HB3 GLN A 37 27.548 -5.420 -29.039 1.00 0.00 H new ATOM 0 HG2 GLN A 37 28.387 -4.433 -31.043 1.00 0.00 H new ATOM 0 HG3 GLN A 37 29.531 -5.735 -31.304 1.00 0.00 H new ATOM 0 HE21 GLN A 37 28.844 -6.211 -33.362 1.00 0.00 H new ATOM 0 HE22 GLN A 37 27.294 -6.993 -33.687 1.00 0.00 H new ATOM 514 N LEU A 38 29.901 -6.866 -26.720 1.00 0.00 N ATOM 515 CA LEU A 38 29.864 -7.169 -25.294 1.00 0.00 C ATOM 516 C LEU A 38 30.811 -6.248 -24.536 1.00 0.00 C ATOM 517 O LEU A 38 30.470 -5.730 -23.476 1.00 0.00 O ATOM 518 CB LEU A 38 30.253 -8.627 -25.028 1.00 0.00 C ATOM 519 CG LEU A 38 29.363 -9.682 -25.684 1.00 0.00 C ATOM 520 CD1 LEU A 38 29.835 -11.081 -25.312 1.00 0.00 C ATOM 521 CD2 LEU A 38 27.912 -9.487 -25.278 1.00 0.00 C ATOM 0 H LEU A 38 30.268 -7.619 -27.301 1.00 0.00 H new ATOM 0 HA LEU A 38 28.843 -7.011 -24.947 1.00 0.00 H new ATOM 0 HB2 LEU A 38 31.277 -8.779 -25.370 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.249 -8.794 -23.951 1.00 0.00 H new ATOM 0 HG LEU A 38 29.435 -9.567 -26.766 1.00 0.00 H new ATOM 0 HD11 LEU A 38 29.191 -11.821 -25.787 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.861 -11.221 -25.652 1.00 0.00 H new ATOM 0 HD13 LEU A 38 29.792 -11.204 -24.230 1.00 0.00 H new ATOM 0 HD21 LEU A 38 27.295 -10.248 -25.756 1.00 0.00 H new ATOM 0 HD22 LEU A 38 27.822 -9.574 -24.195 1.00 0.00 H new ATOM 0 HD23 LEU A 38 27.576 -8.499 -25.591 1.00 0.00 H new ATOM 533 N ASP A 39 31.998 -6.044 -25.099 1.00 0.00 N ATOM 534 CA ASP A 39 33.000 -5.175 -24.488 1.00 0.00 C ATOM 535 C ASP A 39 32.474 -3.749 -24.358 1.00 0.00 C ATOM 536 O ASP A 39 32.744 -3.058 -23.373 1.00 0.00 O ATOM 537 CB ASP A 39 34.289 -5.187 -25.308 1.00 0.00 C ATOM 538 CG ASP A 39 35.411 -4.419 -24.634 1.00 0.00 C ATOM 539 OD1 ASP A 39 35.924 -4.892 -23.597 1.00 0.00 O ATOM 540 OD2 ASP A 39 35.804 -3.351 -25.149 1.00 0.00 O ATOM 0 H ASP A 39 32.291 -6.469 -25.979 1.00 0.00 H new ATOM 0 HA ASP A 39 33.215 -5.556 -23.490 1.00 0.00 H new ATOM 0 HB2 ASP A 39 34.604 -6.218 -25.469 1.00 0.00 H new ATOM 0 HB3 ASP A 39 34.096 -4.755 -26.290 1.00 0.00 H new ATOM 545 N ASP A 40 31.703 -3.319 -25.351 1.00 0.00 N ATOM 546 CA ASP A 40 31.098 -1.993 -25.322 1.00 0.00 C ATOM 547 C ASP A 40 30.032 -1.958 -24.238 1.00 0.00 C ATOM 548 O ASP A 40 29.982 -1.032 -23.427 1.00 0.00 O ATOM 549 CB ASP A 40 30.482 -1.647 -26.681 1.00 0.00 C ATOM 550 CG ASP A 40 30.349 -0.149 -26.896 1.00 0.00 C ATOM 551 OD1 ASP A 40 29.549 0.500 -26.191 1.00 0.00 O ATOM 552 OD2 ASP A 40 31.058 0.391 -27.770 1.00 0.00 O ATOM 0 H ASP A 40 31.483 -3.867 -26.183 1.00 0.00 H new ATOM 0 HA ASP A 40 31.868 -1.253 -25.104 1.00 0.00 H new ATOM 0 HB2 ASP A 40 31.098 -2.071 -27.474 1.00 0.00 H new ATOM 0 HB3 ASP A 40 29.499 -2.111 -26.759 1.00 0.00 H new ATOM 557 N MET A 41 29.202 -3.002 -24.220 1.00 0.00 N ATOM 558 CA MET A 41 28.192 -3.185 -23.182 1.00 0.00 C ATOM 559 C MET A 41 28.806 -3.046 -21.791 1.00 0.00 C ATOM 560 O MET A 41 28.306 -2.294 -20.953 1.00 0.00 O ATOM 561 CB MET A 41 27.555 -4.571 -23.298 1.00 0.00 C ATOM 562 CG MET A 41 26.708 -4.768 -24.539 1.00 0.00 C ATOM 563 SD MET A 41 25.244 -3.722 -24.559 1.00 0.00 S ATOM 564 CE MET A 41 24.602 -4.118 -26.179 1.00 0.00 C ATOM 0 H MET A 41 29.212 -3.741 -24.923 1.00 0.00 H new ATOM 0 HA MET A 41 27.434 -2.414 -23.321 1.00 0.00 H new ATOM 0 HB2 MET A 41 28.345 -5.322 -23.289 1.00 0.00 H new ATOM 0 HB3 MET A 41 26.936 -4.748 -22.418 1.00 0.00 H new ATOM 0 HG2 MET A 41 27.311 -4.557 -25.422 1.00 0.00 H new ATOM 0 HG3 MET A 41 26.403 -5.813 -24.603 1.00 0.00 H new ATOM 0 HE1 MET A 41 23.924 -3.329 -26.504 1.00 0.00 H new ATOM 0 HE2 MET A 41 25.427 -4.202 -26.887 1.00 0.00 H new ATOM 0 HE3 MET A 41 24.063 -5.065 -26.135 1.00 0.00 H new ATOM 574 N SER A 42 29.898 -3.773 -21.556 1.00 0.00 N ATOM 575 CA SER A 42 30.574 -3.758 -20.264 1.00 0.00 C ATOM 576 C SER A 42 31.051 -2.353 -19.920 1.00 0.00 C ATOM 577 O SER A 42 30.963 -1.915 -18.770 1.00 0.00 O ATOM 578 CB SER A 42 31.769 -4.714 -20.280 1.00 0.00 C ATOM 579 OG SER A 42 31.392 -6.006 -20.721 1.00 0.00 O ATOM 0 H SER A 42 30.333 -4.382 -22.249 1.00 0.00 H new ATOM 0 HA SER A 42 29.861 -4.083 -19.506 1.00 0.00 H new ATOM 0 HB2 SER A 42 32.546 -4.317 -20.934 1.00 0.00 H new ATOM 0 HB3 SER A 42 32.197 -4.780 -19.280 1.00 0.00 H new ATOM 0 HG SER A 42 30.541 -6.258 -20.305 1.00 0.00 H new ATOM 585 N THR A 43 31.538 -1.645 -20.928 1.00 0.00 N ATOM 586 CA THR A 43 32.043 -0.298 -20.745 1.00 0.00 C ATOM 587 C THR A 43 30.912 0.658 -20.367 1.00 0.00 C ATOM 588 O THR A 43 31.077 1.522 -19.502 1.00 0.00 O ATOM 589 CB THR A 43 32.745 0.193 -22.021 1.00 0.00 C ATOM 590 OG1 THR A 43 33.769 -0.742 -22.388 1.00 0.00 O ATOM 591 CG2 THR A 43 33.359 1.570 -21.818 1.00 0.00 C ATOM 0 H THR A 43 31.593 -1.987 -21.887 1.00 0.00 H new ATOM 0 HA THR A 43 32.768 -0.316 -19.931 1.00 0.00 H new ATOM 0 HB THR A 43 32.003 0.267 -22.816 1.00 0.00 H new ATOM 0 HG1 THR A 43 33.357 -1.547 -22.765 1.00 0.00 H new ATOM 0 HG21 THR A 43 33.848 1.890 -22.738 1.00 0.00 H new ATOM 0 HG22 THR A 43 32.576 2.282 -21.557 1.00 0.00 H new ATOM 0 HG23 THR A 43 34.093 1.526 -21.013 1.00 0.00 H new ATOM 599 N ILE A 44 29.756 0.488 -21.000 1.00 0.00 N ATOM 600 CA ILE A 44 28.585 1.283 -20.662 1.00 0.00 C ATOM 601 C ILE A 44 28.132 0.956 -19.246 1.00 0.00 C ATOM 602 O ILE A 44 27.780 1.843 -18.467 1.00 0.00 O ATOM 603 CB ILE A 44 27.411 1.033 -21.629 1.00 0.00 C ATOM 604 CG1 ILE A 44 27.829 1.308 -23.078 1.00 0.00 C ATOM 605 CG2 ILE A 44 26.227 1.896 -21.238 1.00 0.00 C ATOM 606 CD1 ILE A 44 28.395 2.693 -23.304 1.00 0.00 C ATOM 0 H ILE A 44 29.607 -0.191 -21.747 1.00 0.00 H new ATOM 0 HA ILE A 44 28.874 2.331 -20.742 1.00 0.00 H new ATOM 0 HB ILE A 44 27.119 -0.015 -21.560 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.573 0.570 -23.377 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.964 1.170 -23.727 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.401 1.714 -21.926 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.915 1.648 -20.223 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.512 2.947 -21.283 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.666 2.808 -24.353 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.647 3.440 -23.039 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.280 2.830 -22.683 1.00 0.00 H new ATOM 618 N ALA A 45 28.158 -0.330 -18.925 1.00 0.00 N ATOM 619 CA ALA A 45 27.819 -0.796 -17.591 1.00 0.00 C ATOM 620 C ALA A 45 28.680 -0.098 -16.546 1.00 0.00 C ATOM 621 O ALA A 45 28.188 0.310 -15.493 1.00 0.00 O ATOM 622 CB ALA A 45 27.994 -2.304 -17.506 1.00 0.00 C ATOM 0 H ALA A 45 28.412 -1.072 -19.576 1.00 0.00 H new ATOM 0 HA ALA A 45 26.776 -0.553 -17.390 1.00 0.00 H new ATOM 0 HB1 ALA A 45 27.738 -2.644 -16.503 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.340 -2.788 -18.231 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.030 -2.563 -17.723 1.00 0.00 H new ATOM 628 N GLN A 46 29.966 0.061 -16.854 1.00 0.00 N ATOM 629 CA GLN A 46 30.892 0.730 -15.948 1.00 0.00 C ATOM 630 C GLN A 46 30.480 2.181 -15.735 1.00 0.00 C ATOM 631 O GLN A 46 30.592 2.704 -14.628 1.00 0.00 O ATOM 632 CB GLN A 46 32.333 0.675 -16.476 1.00 0.00 C ATOM 633 CG GLN A 46 32.895 -0.732 -16.639 1.00 0.00 C ATOM 634 CD GLN A 46 32.526 -1.656 -15.493 1.00 0.00 C ATOM 635 OE1 GLN A 46 33.198 -1.698 -14.465 1.00 0.00 O ATOM 636 NE2 GLN A 46 31.469 -2.428 -15.686 1.00 0.00 N ATOM 0 H GLN A 46 30.388 -0.265 -17.724 1.00 0.00 H new ATOM 0 HA GLN A 46 30.854 0.202 -14.995 1.00 0.00 H new ATOM 0 HB2 GLN A 46 32.372 1.182 -17.440 1.00 0.00 H new ATOM 0 HB3 GLN A 46 32.977 1.233 -15.796 1.00 0.00 H new ATOM 0 HG2 GLN A 46 32.529 -1.157 -17.573 1.00 0.00 H new ATOM 0 HG3 GLN A 46 33.981 -0.676 -16.718 1.00 0.00 H new ATOM 0 HE21 GLN A 46 30.940 -2.360 -16.555 1.00 0.00 H new ATOM 0 HE22 GLN A 46 31.183 -3.091 -14.966 1.00 0.00 H new ATOM 645 N SER A 47 29.967 2.808 -16.790 1.00 0.00 N ATOM 646 CA SER A 47 29.587 4.210 -16.733 1.00 0.00 C ATOM 647 C SER A 47 28.495 4.419 -15.690 1.00 0.00 C ATOM 648 O SER A 47 28.499 5.406 -14.952 1.00 0.00 O ATOM 649 CB SER A 47 29.108 4.682 -18.109 1.00 0.00 C ATOM 650 OG SER A 47 28.945 6.088 -18.145 1.00 0.00 O ATOM 0 H SER A 47 29.806 2.364 -17.694 1.00 0.00 H new ATOM 0 HA SER A 47 30.458 4.799 -16.445 1.00 0.00 H new ATOM 0 HB2 SER A 47 29.827 4.378 -18.870 1.00 0.00 H new ATOM 0 HB3 SER A 47 28.162 4.198 -18.352 1.00 0.00 H new ATOM 0 HG SER A 47 28.640 6.359 -19.036 1.00 0.00 H new ATOM 656 N MET A 48 27.569 3.471 -15.619 1.00 0.00 N ATOM 657 CA MET A 48 26.476 3.558 -14.665 1.00 0.00 C ATOM 658 C MET A 48 26.964 3.216 -13.263 1.00 0.00 C ATOM 659 O MET A 48 26.715 3.961 -12.316 1.00 0.00 O ATOM 660 CB MET A 48 25.328 2.628 -15.062 1.00 0.00 C ATOM 661 CG MET A 48 24.808 2.876 -16.469 1.00 0.00 C ATOM 662 SD MET A 48 23.252 2.030 -16.802 1.00 0.00 S ATOM 663 CE MET A 48 22.149 2.867 -15.667 1.00 0.00 C ATOM 0 H MET A 48 27.554 2.638 -16.208 1.00 0.00 H new ATOM 0 HA MET A 48 26.106 4.583 -14.670 1.00 0.00 H new ATOM 0 HB2 MET A 48 25.664 1.594 -14.984 1.00 0.00 H new ATOM 0 HB3 MET A 48 24.509 2.751 -14.353 1.00 0.00 H new ATOM 0 HG2 MET A 48 24.672 3.947 -16.617 1.00 0.00 H new ATOM 0 HG3 MET A 48 25.556 2.547 -17.190 1.00 0.00 H new ATOM 0 HE1 MET A 48 21.131 2.828 -16.054 1.00 0.00 H new ATOM 0 HE2 MET A 48 22.187 2.376 -14.695 1.00 0.00 H new ATOM 0 HE3 MET A 48 22.457 3.907 -15.561 1.00 0.00 H new ATOM 673 N VAL A 49 27.687 2.101 -13.144 1.00 0.00 N ATOM 674 CA VAL A 49 28.179 1.632 -11.850 1.00 0.00 C ATOM 675 C VAL A 49 29.028 2.694 -11.155 1.00 0.00 C ATOM 676 O VAL A 49 28.819 2.987 -9.978 1.00 0.00 O ATOM 677 CB VAL A 49 28.997 0.326 -11.985 1.00 0.00 C ATOM 678 CG1 VAL A 49 29.567 -0.095 -10.639 1.00 0.00 C ATOM 679 CG2 VAL A 49 28.134 -0.788 -12.560 1.00 0.00 C ATOM 0 H VAL A 49 27.945 1.506 -13.931 1.00 0.00 H new ATOM 0 HA VAL A 49 27.298 1.429 -11.241 1.00 0.00 H new ATOM 0 HB VAL A 49 29.825 0.515 -12.668 1.00 0.00 H new ATOM 0 HG11 VAL A 49 30.138 -1.016 -10.758 1.00 0.00 H new ATOM 0 HG12 VAL A 49 30.220 0.691 -10.258 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.752 -0.262 -9.935 1.00 0.00 H new ATOM 0 HG21 VAL A 49 28.726 -1.699 -12.648 1.00 0.00 H new ATOM 0 HG22 VAL A 49 27.286 -0.969 -11.900 1.00 0.00 H new ATOM 0 HG23 VAL A 49 27.771 -0.495 -13.545 1.00 0.00 H new ATOM 689 N GLN A 50 29.965 3.285 -11.892 1.00 0.00 N ATOM 690 CA GLN A 50 30.866 4.289 -11.330 1.00 0.00 C ATOM 691 C GLN A 50 30.094 5.503 -10.821 1.00 0.00 C ATOM 692 O GLN A 50 30.429 6.074 -9.784 1.00 0.00 O ATOM 693 CB GLN A 50 31.890 4.729 -12.376 1.00 0.00 C ATOM 694 CG GLN A 50 32.893 3.648 -12.750 1.00 0.00 C ATOM 695 CD GLN A 50 33.814 3.279 -11.602 1.00 0.00 C ATOM 696 OE1 GLN A 50 34.866 3.886 -11.420 1.00 0.00 O ATOM 697 NE2 GLN A 50 33.434 2.271 -10.831 1.00 0.00 N ATOM 0 H GLN A 50 30.121 3.086 -12.880 1.00 0.00 H new ATOM 0 HA GLN A 50 31.385 3.834 -10.486 1.00 0.00 H new ATOM 0 HB2 GLN A 50 31.362 5.048 -13.275 1.00 0.00 H new ATOM 0 HB3 GLN A 50 32.430 5.597 -11.999 1.00 0.00 H new ATOM 0 HG2 GLN A 50 32.356 2.759 -13.079 1.00 0.00 H new ATOM 0 HG3 GLN A 50 33.491 3.990 -13.594 1.00 0.00 H new ATOM 0 HE21 GLN A 50 32.552 1.792 -11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 50 34.023 1.974 -10.053 1.00 0.00 H new ATOM 706 N SER A 51 29.046 5.876 -11.540 1.00 0.00 N ATOM 707 CA SER A 51 28.261 7.048 -11.186 1.00 0.00 C ATOM 708 C SER A 51 27.409 6.782 -9.948 1.00 0.00 C ATOM 709 O SER A 51 27.227 7.664 -9.107 1.00 0.00 O ATOM 710 CB SER A 51 27.375 7.459 -12.359 1.00 0.00 C ATOM 711 OG SER A 51 28.154 7.681 -13.522 1.00 0.00 O ATOM 0 H SER A 51 28.720 5.384 -12.372 1.00 0.00 H new ATOM 0 HA SER A 51 28.947 7.863 -10.956 1.00 0.00 H new ATOM 0 HB2 SER A 51 26.636 6.681 -12.553 1.00 0.00 H new ATOM 0 HB3 SER A 51 26.825 8.365 -12.105 1.00 0.00 H new ATOM 0 HG SER A 51 28.272 6.835 -14.003 1.00 0.00 H new ATOM 717 N ILE A 52 26.895 5.562 -9.838 1.00 0.00 N ATOM 718 CA ILE A 52 26.053 5.184 -8.712 1.00 0.00 C ATOM 719 C ILE A 52 26.873 5.111 -7.421 1.00 0.00 C ATOM 720 O ILE A 52 26.358 5.367 -6.329 1.00 0.00 O ATOM 721 CB ILE A 52 25.336 3.842 -8.984 1.00 0.00 C ATOM 722 CG1 ILE A 52 24.448 3.986 -10.226 1.00 0.00 C ATOM 723 CG2 ILE A 52 24.506 3.414 -7.779 1.00 0.00 C ATOM 724 CD1 ILE A 52 23.867 2.682 -10.719 1.00 0.00 C ATOM 0 H ILE A 52 27.048 4.817 -10.518 1.00 0.00 H new ATOM 0 HA ILE A 52 25.291 5.953 -8.587 1.00 0.00 H new ATOM 0 HB ILE A 52 26.084 3.069 -9.162 1.00 0.00 H new ATOM 0 HG12 ILE A 52 23.633 4.673 -10.000 1.00 0.00 H new ATOM 0 HG13 ILE A 52 25.032 4.438 -11.028 1.00 0.00 H new ATOM 0 HG21 ILE A 52 24.012 2.467 -7.996 1.00 0.00 H new ATOM 0 HG22 ILE A 52 25.157 3.294 -6.913 1.00 0.00 H new ATOM 0 HG23 ILE A 52 23.755 4.175 -7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 52 23.252 2.868 -11.599 1.00 0.00 H new ATOM 0 HD12 ILE A 52 24.675 1.999 -10.979 1.00 0.00 H new ATOM 0 HD13 ILE A 52 23.254 2.237 -9.935 1.00 0.00 H new ATOM 736 N GLN A 53 28.159 4.790 -7.558 1.00 0.00 N ATOM 737 CA GLN A 53 29.076 4.802 -6.422 1.00 0.00 C ATOM 738 C GLN A 53 29.090 6.188 -5.787 1.00 0.00 C ATOM 739 O GLN A 53 29.005 6.333 -4.568 1.00 0.00 O ATOM 740 CB GLN A 53 30.498 4.430 -6.859 1.00 0.00 C ATOM 741 CG GLN A 53 30.621 3.054 -7.498 1.00 0.00 C ATOM 742 CD GLN A 53 30.317 1.917 -6.540 1.00 0.00 C ATOM 743 OE1 GLN A 53 30.537 2.024 -5.334 1.00 0.00 O ATOM 744 NE2 GLN A 53 29.815 0.815 -7.076 1.00 0.00 N ATOM 0 H GLN A 53 28.588 4.519 -8.443 1.00 0.00 H new ATOM 0 HA GLN A 53 28.730 4.064 -5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 53 30.855 5.179 -7.566 1.00 0.00 H new ATOM 0 HB3 GLN A 53 31.155 4.474 -5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.942 2.994 -8.349 1.00 0.00 H new ATOM 0 HG3 GLN A 53 31.632 2.931 -7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.648 0.767 -8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.596 0.014 -6.484 1.00 0.00 H new ATOM 753 N SER A 54 29.171 7.206 -6.635 1.00 0.00 N ATOM 754 CA SER A 54 29.194 8.586 -6.182 1.00 0.00 C ATOM 755 C SER A 54 27.844 8.987 -5.588 1.00 0.00 C ATOM 756 O SER A 54 27.781 9.698 -4.582 1.00 0.00 O ATOM 757 CB SER A 54 29.543 9.508 -7.350 1.00 0.00 C ATOM 758 OG SER A 54 30.712 9.065 -8.020 1.00 0.00 O ATOM 0 H SER A 54 29.222 7.097 -7.648 1.00 0.00 H new ATOM 0 HA SER A 54 29.952 8.681 -5.405 1.00 0.00 H new ATOM 0 HB2 SER A 54 28.709 9.543 -8.051 1.00 0.00 H new ATOM 0 HB3 SER A 54 29.693 10.523 -6.983 1.00 0.00 H new ATOM 0 HG SER A 54 30.912 9.671 -8.764 1.00 0.00 H new ATOM 764 N LEU A 55 26.763 8.515 -6.207 1.00 0.00 N ATOM 765 CA LEU A 55 25.417 8.851 -5.772 1.00 0.00 C ATOM 766 C LEU A 55 25.150 8.376 -4.348 1.00 0.00 C ATOM 767 O LEU A 55 24.466 9.057 -3.582 1.00 0.00 O ATOM 768 CB LEU A 55 24.394 8.238 -6.726 1.00 0.00 C ATOM 769 CG LEU A 55 24.391 8.818 -8.139 1.00 0.00 C ATOM 770 CD1 LEU A 55 23.366 8.110 -9.009 1.00 0.00 C ATOM 771 CD2 LEU A 55 24.119 10.316 -8.105 1.00 0.00 C ATOM 0 H LEU A 55 26.799 7.895 -7.016 1.00 0.00 H new ATOM 0 HA LEU A 55 25.324 9.937 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 55 24.579 7.166 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 55 23.400 8.364 -6.297 1.00 0.00 H new ATOM 0 HG LEU A 55 25.378 8.658 -8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 55 23.381 8.539 -10.011 1.00 0.00 H new ATOM 0 HD12 LEU A 55 23.607 7.049 -9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 55 22.373 8.234 -8.576 1.00 0.00 H new ATOM 0 HD21 LEU A 55 24.121 10.709 -9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 55 23.147 10.499 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 55 24.894 10.813 -7.522 1.00 0.00 H new ATOM 783 N ALA A 56 25.712 7.226 -3.993 1.00 0.00 N ATOM 784 CA ALA A 56 25.484 6.630 -2.680 1.00 0.00 C ATOM 785 C ALA A 56 26.235 7.374 -1.580 1.00 0.00 C ATOM 786 O ALA A 56 25.914 7.240 -0.400 1.00 0.00 O ATOM 787 CB ALA A 56 25.890 5.165 -2.691 1.00 0.00 C ATOM 0 H ALA A 56 26.331 6.686 -4.598 1.00 0.00 H new ATOM 0 HA ALA A 56 24.419 6.709 -2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 56 25.715 4.732 -1.706 1.00 0.00 H new ATOM 0 HB2 ALA A 56 25.299 4.629 -3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 56 26.948 5.082 -2.941 1.00 0.00 H new ATOM 793 N ALA A 57 27.231 8.162 -1.969 1.00 0.00 N ATOM 794 CA ALA A 57 28.030 8.900 -1.009 1.00 0.00 C ATOM 795 C ALA A 57 27.547 10.335 -0.940 1.00 0.00 C ATOM 796 O ALA A 57 27.457 10.927 0.136 1.00 0.00 O ATOM 797 CB ALA A 57 29.506 8.847 -1.386 1.00 0.00 C ATOM 0 H ALA A 57 27.501 8.303 -2.942 1.00 0.00 H new ATOM 0 HA ALA A 57 27.918 8.441 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.089 9.406 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.841 7.810 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.645 9.287 -2.373 1.00 0.00 H new ATOM 803 N GLN A 58 27.209 10.883 -2.101 1.00 0.00 N ATOM 804 CA GLN A 58 26.720 12.244 -2.178 1.00 0.00 C ATOM 805 C GLN A 58 25.287 12.338 -1.664 1.00 0.00 C ATOM 806 O GLN A 58 24.875 13.370 -1.134 1.00 0.00 O ATOM 807 CB GLN A 58 26.798 12.767 -3.615 1.00 0.00 C ATOM 808 CG GLN A 58 28.216 12.882 -4.149 1.00 0.00 C ATOM 809 CD GLN A 58 28.279 13.454 -5.556 1.00 0.00 C ATOM 810 OE1 GLN A 58 27.259 13.186 -6.356 1.00 0.00 O flip ATOM 811 NE2 GLN A 58 29.245 14.124 -5.922 1.00 0.00 N flip ATOM 0 H GLN A 58 27.266 10.402 -2.999 1.00 0.00 H new ATOM 0 HA GLN A 58 27.356 12.863 -1.545 1.00 0.00 H new ATOM 0 HB2 GLN A 58 26.228 12.103 -4.265 1.00 0.00 H new ATOM 0 HB3 GLN A 58 26.321 13.746 -3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 58 28.800 13.514 -3.480 1.00 0.00 H new ATOM 0 HG3 GLN A 58 28.681 11.896 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 58 30.012 14.309 -5.275 1.00 0.00 H new ATOM 0 HE22 GLN A 58 29.278 14.494 -6.872 1.00 0.00 H new ATOM 820 N GLY A 59 24.541 11.250 -1.806 1.00 0.00 N ATOM 821 CA GLY A 59 23.142 11.256 -1.424 1.00 0.00 C ATOM 822 C GLY A 59 22.299 12.001 -2.436 1.00 0.00 C ATOM 823 O GLY A 59 21.386 12.742 -2.077 1.00 0.00 O ATOM 0 H GLY A 59 24.880 10.363 -2.179 1.00 0.00 H new ATOM 0 HA2 GLY A 59 22.783 10.231 -1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 59 23.032 11.720 -0.444 1.00 0.00 H new ATOM 827 N ARG A 60 22.615 11.800 -3.708 1.00 0.00 N ATOM 828 CA ARG A 60 21.951 12.519 -4.787 1.00 0.00 C ATOM 829 C ARG A 60 21.349 11.556 -5.798 1.00 0.00 C ATOM 830 O ARG A 60 21.101 11.933 -6.944 1.00 0.00 O ATOM 831 CB ARG A 60 22.933 13.449 -5.485 1.00 0.00 C ATOM 832 CG ARG A 60 23.388 14.603 -4.616 1.00 0.00 C ATOM 833 CD ARG A 60 24.140 15.632 -5.430 1.00 0.00 C ATOM 834 NE ARG A 60 24.529 16.787 -4.623 1.00 0.00 N ATOM 835 CZ ARG A 60 24.961 17.939 -5.128 1.00 0.00 C ATOM 836 NH1 ARG A 60 25.105 18.086 -6.438 1.00 0.00 N ATOM 837 NH2 ARG A 60 25.256 18.945 -4.314 1.00 0.00 N ATOM 0 H ARG A 60 23.330 11.142 -4.019 1.00 0.00 H new ATOM 0 HA ARG A 60 21.145 13.108 -4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 60 23.805 12.875 -5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 60 22.468 13.845 -6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 60 22.524 15.069 -4.143 1.00 0.00 H new ATOM 0 HG3 ARG A 60 24.027 14.230 -3.815 1.00 0.00 H new ATOM 0 HD2 ARG A 60 25.030 15.174 -5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 60 23.517 15.963 -6.261 1.00 0.00 H new ATOM 0 HE ARG A 60 24.465 16.704 -3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 60 24.884 17.313 -7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 60 25.437 18.972 -6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 60 25.151 18.833 -3.306 1.00 0.00 H new ATOM 0 HH22 ARG A 60 25.588 19.830 -4.697 1.00 0.00 H new ATOM 851 N THR A 61 21.117 10.321 -5.364 1.00 0.00 N ATOM 852 CA THR A 61 20.530 9.295 -6.216 1.00 0.00 C ATOM 853 C THR A 61 19.228 9.795 -6.835 1.00 0.00 C ATOM 854 O THR A 61 19.114 9.880 -8.052 1.00 0.00 O ATOM 855 CB THR A 61 20.267 8.015 -5.404 1.00 0.00 C ATOM 856 OG1 THR A 61 21.282 7.873 -4.396 1.00 0.00 O ATOM 857 CG2 THR A 61 20.278 6.792 -6.309 1.00 0.00 C ATOM 0 H THR A 61 21.329 10.006 -4.418 1.00 0.00 H new ATOM 0 HA THR A 61 21.234 9.069 -7.017 1.00 0.00 H new ATOM 0 HB THR A 61 19.286 8.093 -4.936 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.115 7.059 -3.876 1.00 0.00 H new ATOM 0 HG21 THR A 61 20.090 5.898 -5.715 1.00 0.00 H new ATOM 0 HG22 THR A 61 19.502 6.893 -7.067 1.00 0.00 H new ATOM 0 HG23 THR A 61 21.250 6.707 -6.794 1.00 0.00 H new ATOM 865 N SER A 62 18.294 10.189 -5.969 1.00 0.00 N ATOM 866 CA SER A 62 16.960 10.684 -6.350 1.00 0.00 C ATOM 867 C SER A 62 16.225 9.755 -7.336 1.00 0.00 C ATOM 868 O SER A 62 16.810 8.851 -7.926 1.00 0.00 O ATOM 869 CB SER A 62 17.064 12.103 -6.935 1.00 0.00 C ATOM 870 OG SER A 62 17.812 12.124 -8.138 1.00 0.00 O ATOM 0 H SER A 62 18.442 10.175 -4.960 1.00 0.00 H new ATOM 0 HA SER A 62 16.365 10.704 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 62 16.063 12.493 -7.123 1.00 0.00 H new ATOM 0 HB3 SER A 62 17.532 12.764 -6.205 1.00 0.00 H new ATOM 0 HG SER A 62 18.103 11.214 -8.358 1.00 0.00 H new ATOM 876 N PRO A 63 14.909 9.943 -7.514 1.00 0.00 N ATOM 877 CA PRO A 63 14.174 9.261 -8.574 1.00 0.00 C ATOM 878 C PRO A 63 14.490 9.879 -9.932 1.00 0.00 C ATOM 879 O PRO A 63 14.169 9.319 -10.974 1.00 0.00 O ATOM 880 CB PRO A 63 12.694 9.478 -8.208 1.00 0.00 C ATOM 881 CG PRO A 63 12.697 10.094 -6.845 1.00 0.00 C ATOM 882 CD PRO A 63 14.023 10.779 -6.692 1.00 0.00 C ATOM 0 HA PRO A 63 14.435 8.205 -8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 63 12.204 10.130 -8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.148 8.534 -8.209 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.878 10.805 -6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.561 9.334 -6.075 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.991 11.809 -7.048 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.346 10.811 -5.651 1.00 0.00 H new ATOM 890 N ASN A 64 15.146 11.038 -9.898 1.00 0.00 N ATOM 891 CA ASN A 64 15.487 11.775 -11.110 1.00 0.00 C ATOM 892 C ASN A 64 16.580 11.056 -11.893 1.00 0.00 C ATOM 893 O ASN A 64 16.432 10.814 -13.092 1.00 0.00 O ATOM 894 CB ASN A 64 15.939 13.196 -10.766 1.00 0.00 C ATOM 895 CG ASN A 64 14.884 13.976 -10.004 1.00 0.00 C ATOM 896 OD1 ASN A 64 14.844 13.945 -8.774 1.00 0.00 O ATOM 897 ND2 ASN A 64 14.023 14.677 -10.725 1.00 0.00 N ATOM 0 H ASN A 64 15.453 11.488 -9.036 1.00 0.00 H new ATOM 0 HA ASN A 64 14.594 11.830 -11.732 1.00 0.00 H new ATOM 0 HB2 ASN A 64 16.851 13.149 -10.171 1.00 0.00 H new ATOM 0 HB3 ASN A 64 16.185 13.727 -11.685 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.292 15.218 -10.263 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.090 14.676 -11.743 1.00 0.00 H new ATOM 904 N LYS A 65 17.676 10.709 -11.218 1.00 0.00 N ATOM 905 CA LYS A 65 18.744 9.948 -11.860 1.00 0.00 C ATOM 906 C LYS A 65 18.216 8.600 -12.312 1.00 0.00 C ATOM 907 O LYS A 65 18.478 8.161 -13.423 1.00 0.00 O ATOM 908 CB LYS A 65 19.934 9.727 -10.922 1.00 0.00 C ATOM 909 CG LYS A 65 20.897 10.898 -10.824 1.00 0.00 C ATOM 910 CD LYS A 65 20.342 12.045 -9.995 1.00 0.00 C ATOM 911 CE LYS A 65 21.337 13.193 -9.924 1.00 0.00 C ATOM 912 NZ LYS A 65 20.798 14.353 -9.174 1.00 0.00 N ATOM 0 H LYS A 65 17.845 10.940 -10.239 1.00 0.00 H new ATOM 0 HA LYS A 65 19.087 10.529 -12.716 1.00 0.00 H new ATOM 0 HB2 LYS A 65 19.555 9.502 -9.925 1.00 0.00 H new ATOM 0 HB3 LYS A 65 20.485 8.849 -11.259 1.00 0.00 H new ATOM 0 HG2 LYS A 65 21.834 10.557 -10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 65 21.128 11.258 -11.826 1.00 0.00 H new ATOM 0 HD2 LYS A 65 19.407 12.395 -10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 65 20.113 11.694 -8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 65 22.254 12.848 -9.447 1.00 0.00 H new ATOM 0 HE3 LYS A 65 21.601 13.506 -10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 21.509 15.112 -9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 19.937 14.700 -9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 20.570 14.062 -8.202 1.00 0.00 H new ATOM 926 N LEU A 66 17.452 7.965 -11.438 1.00 0.00 N ATOM 927 CA LEU A 66 16.887 6.648 -11.710 1.00 0.00 C ATOM 928 C LEU A 66 15.955 6.690 -12.920 1.00 0.00 C ATOM 929 O LEU A 66 15.821 5.707 -13.649 1.00 0.00 O ATOM 930 CB LEU A 66 16.156 6.135 -10.461 1.00 0.00 C ATOM 931 CG LEU A 66 17.047 5.489 -9.379 1.00 0.00 C ATOM 932 CD1 LEU A 66 18.492 5.965 -9.469 1.00 0.00 C ATOM 933 CD2 LEU A 66 16.506 5.790 -7.996 1.00 0.00 C ATOM 0 H LEU A 66 17.205 8.343 -10.523 1.00 0.00 H new ATOM 0 HA LEU A 66 17.696 5.958 -11.951 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.617 6.968 -10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.410 5.405 -10.774 1.00 0.00 H new ATOM 0 HG LEU A 66 17.031 4.414 -9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.083 5.485 -8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 66 18.901 5.705 -10.445 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.528 7.046 -9.337 1.00 0.00 H new ATOM 0 HD21 LEU A 66 17.147 5.327 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.486 6.869 -7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 66 15.495 5.392 -7.906 1.00 0.00 H new ATOM 945 N GLN A 67 15.326 7.840 -13.130 1.00 0.00 N ATOM 946 CA GLN A 67 14.510 8.069 -14.315 1.00 0.00 C ATOM 947 C GLN A 67 15.398 8.198 -15.550 1.00 0.00 C ATOM 948 O GLN A 67 15.163 7.558 -16.575 1.00 0.00 O ATOM 949 CB GLN A 67 13.677 9.344 -14.142 1.00 0.00 C ATOM 950 CG GLN A 67 12.933 9.768 -15.396 1.00 0.00 C ATOM 951 CD GLN A 67 12.376 11.174 -15.292 1.00 0.00 C ATOM 952 OE1 GLN A 67 12.020 11.639 -14.210 1.00 0.00 O ATOM 953 NE2 GLN A 67 12.306 11.865 -16.418 1.00 0.00 N ATOM 0 H GLN A 67 15.366 8.633 -12.490 1.00 0.00 H new ATOM 0 HA GLN A 67 13.840 7.219 -14.446 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.957 9.189 -13.339 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.334 10.156 -13.829 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.606 9.709 -16.251 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.117 9.070 -15.584 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.611 11.443 -17.295 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.947 12.820 -16.409 1.00 0.00 H new ATOM 962 N ALA A 68 16.428 9.027 -15.441 1.00 0.00 N ATOM 963 CA ALA A 68 17.341 9.266 -16.550 1.00 0.00 C ATOM 964 C ALA A 68 18.116 8.001 -16.908 1.00 0.00 C ATOM 965 O ALA A 68 18.387 7.740 -18.081 1.00 0.00 O ATOM 966 CB ALA A 68 18.291 10.404 -16.209 1.00 0.00 C ATOM 0 H ALA A 68 16.652 9.547 -14.592 1.00 0.00 H new ATOM 0 HA ALA A 68 16.754 9.551 -17.423 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.969 10.574 -17.045 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.718 11.311 -16.016 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.867 10.143 -15.321 1.00 0.00 H new ATOM 972 N LEU A 69 18.441 7.205 -15.897 1.00 0.00 N ATOM 973 CA LEU A 69 19.183 5.964 -16.094 1.00 0.00 C ATOM 974 C LEU A 69 18.283 4.868 -16.656 1.00 0.00 C ATOM 975 O LEU A 69 18.738 3.764 -16.925 1.00 0.00 O ATOM 976 CB LEU A 69 19.818 5.498 -14.780 1.00 0.00 C ATOM 977 CG LEU A 69 20.838 6.461 -14.163 1.00 0.00 C ATOM 978 CD1 LEU A 69 21.407 5.880 -12.880 1.00 0.00 C ATOM 979 CD2 LEU A 69 21.954 6.772 -15.150 1.00 0.00 C ATOM 0 H LEU A 69 18.201 7.398 -14.925 1.00 0.00 H new ATOM 0 HA LEU A 69 19.974 6.163 -16.816 1.00 0.00 H new ATOM 0 HB2 LEU A 69 19.024 5.324 -14.054 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.307 4.540 -14.953 1.00 0.00 H new ATOM 0 HG LEU A 69 20.327 7.394 -13.924 1.00 0.00 H new ATOM 0 HD11 LEU A 69 22.130 6.576 -12.454 1.00 0.00 H new ATOM 0 HD12 LEU A 69 20.600 5.714 -12.167 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.900 4.933 -13.097 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.666 7.457 -14.690 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.464 5.849 -15.425 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.532 7.233 -16.043 1.00 0.00 H new ATOM 991 N ASN A 70 17.006 5.174 -16.815 1.00 0.00 N ATOM 992 CA ASN A 70 16.079 4.270 -17.487 1.00 0.00 C ATOM 993 C ASN A 70 16.168 4.495 -18.992 1.00 0.00 C ATOM 994 O ASN A 70 16.257 3.553 -19.779 1.00 0.00 O ATOM 995 CB ASN A 70 14.650 4.528 -16.996 1.00 0.00 C ATOM 996 CG ASN A 70 13.615 3.605 -17.610 1.00 0.00 C ATOM 997 OD1 ASN A 70 13.122 3.846 -18.711 1.00 0.00 O ATOM 998 ND2 ASN A 70 13.242 2.566 -16.877 1.00 0.00 N ATOM 0 H ASN A 70 16.584 6.043 -16.488 1.00 0.00 H new ATOM 0 HA ASN A 70 16.342 3.237 -17.259 1.00 0.00 H new ATOM 0 HB2 ASN A 70 14.623 4.418 -15.912 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.380 5.560 -17.219 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.521 1.931 -17.221 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.676 2.401 -15.969 1.00 0.00 H new ATOM 1005 N MET A 71 16.194 5.766 -19.369 1.00 0.00 N ATOM 1006 CA MET A 71 16.193 6.168 -20.771 1.00 0.00 C ATOM 1007 C MET A 71 17.580 6.051 -21.388 1.00 0.00 C ATOM 1008 O MET A 71 17.764 5.376 -22.401 1.00 0.00 O ATOM 1009 CB MET A 71 15.706 7.610 -20.892 1.00 0.00 C ATOM 1010 CG MET A 71 14.290 7.817 -20.394 1.00 0.00 C ATOM 1011 SD MET A 71 13.817 9.557 -20.346 1.00 0.00 S ATOM 1012 CE MET A 71 14.920 10.168 -19.075 1.00 0.00 C ATOM 0 H MET A 71 16.216 6.547 -18.714 1.00 0.00 H new ATOM 0 HA MET A 71 15.523 5.499 -21.310 1.00 0.00 H new ATOM 0 HB2 MET A 71 16.378 8.260 -20.331 1.00 0.00 H new ATOM 0 HB3 MET A 71 15.763 7.917 -21.936 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.599 7.275 -21.039 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.194 7.391 -19.395 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.633 11.183 -18.801 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.856 9.524 -18.198 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.943 10.169 -19.451 1.00 0.00 H new ATOM 1022 N ARG A 72 18.551 6.709 -20.761 1.00 0.00 N ATOM 1023 CA ARG A 72 19.918 6.765 -21.284 1.00 0.00 C ATOM 1024 C ARG A 72 20.522 5.370 -21.374 1.00 0.00 C ATOM 1025 O ARG A 72 21.296 5.077 -22.282 1.00 0.00 O ATOM 1026 CB ARG A 72 20.792 7.657 -20.402 1.00 0.00 C ATOM 1027 CG ARG A 72 20.276 9.080 -20.278 1.00 0.00 C ATOM 1028 CD ARG A 72 21.155 9.911 -19.359 1.00 0.00 C ATOM 1029 NE ARG A 72 20.586 11.234 -19.104 1.00 0.00 N ATOM 1030 CZ ARG A 72 21.195 12.186 -18.399 1.00 0.00 C ATOM 1031 NH1 ARG A 72 22.421 11.997 -17.930 1.00 0.00 N ATOM 1032 NH2 ARG A 72 20.583 13.343 -18.183 1.00 0.00 N ATOM 0 H ARG A 72 18.418 7.214 -19.885 1.00 0.00 H new ATOM 0 HA ARG A 72 19.878 7.190 -22.287 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.860 7.216 -19.408 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.802 7.680 -20.810 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.239 9.542 -21.264 1.00 0.00 H new ATOM 0 HG3 ARG A 72 19.256 9.066 -19.894 1.00 0.00 H new ATOM 0 HD2 ARG A 72 21.289 9.386 -18.413 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.143 10.021 -19.805 1.00 0.00 H new ATOM 0 HE ARG A 72 19.665 11.441 -19.490 1.00 0.00 H new ATOM 0 HH11 ARG A 72 22.905 11.117 -18.108 1.00 0.00 H new ATOM 0 HH12 ARG A 72 22.880 12.732 -17.391 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.647 13.503 -18.557 1.00 0.00 H new ATOM 0 HH22 ARG A 72 21.048 14.073 -17.643 1.00 0.00 H new ATOM 1046 N PHE A 73 20.165 4.521 -20.421 1.00 0.00 N ATOM 1047 CA PHE A 73 20.591 3.127 -20.428 1.00 0.00 C ATOM 1048 C PHE A 73 20.114 2.443 -21.706 1.00 0.00 C ATOM 1049 O PHE A 73 20.911 1.882 -22.455 1.00 0.00 O ATOM 1050 CB PHE A 73 20.041 2.421 -19.184 1.00 0.00 C ATOM 1051 CG PHE A 73 20.272 0.937 -19.125 1.00 0.00 C ATOM 1052 CD1 PHE A 73 21.551 0.407 -19.144 1.00 0.00 C ATOM 1053 CD2 PHE A 73 19.195 0.073 -19.019 1.00 0.00 C ATOM 1054 CE1 PHE A 73 21.751 -0.958 -19.063 1.00 0.00 C ATOM 1055 CE2 PHE A 73 19.386 -1.291 -18.942 1.00 0.00 C ATOM 1056 CZ PHE A 73 20.667 -1.808 -18.962 1.00 0.00 C ATOM 0 H PHE A 73 19.577 4.775 -19.627 1.00 0.00 H new ATOM 0 HA PHE A 73 21.679 3.073 -20.404 1.00 0.00 H new ATOM 0 HB2 PHE A 73 20.490 2.876 -18.301 1.00 0.00 H new ATOM 0 HB3 PHE A 73 18.968 2.606 -19.127 1.00 0.00 H new ATOM 0 HD1 PHE A 73 22.402 1.068 -19.223 1.00 0.00 H new ATOM 0 HD2 PHE A 73 18.192 0.473 -18.996 1.00 0.00 H new ATOM 0 HE1 PHE A 73 22.753 -1.360 -19.079 1.00 0.00 H new ATOM 0 HE2 PHE A 73 18.536 -1.953 -18.866 1.00 0.00 H new ATOM 0 HZ PHE A 73 20.821 -2.875 -18.899 1.00 0.00 H new ATOM 1066 N ALA A 74 18.817 2.543 -21.969 1.00 0.00 N ATOM 1067 CA ALA A 74 18.210 1.916 -23.136 1.00 0.00 C ATOM 1068 C ALA A 74 18.870 2.380 -24.434 1.00 0.00 C ATOM 1069 O ALA A 74 19.195 1.567 -25.301 1.00 0.00 O ATOM 1070 CB ALA A 74 16.722 2.215 -23.167 1.00 0.00 C ATOM 0 H ALA A 74 18.160 3.058 -21.383 1.00 0.00 H new ATOM 0 HA ALA A 74 18.362 0.840 -23.056 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.274 1.743 -24.042 1.00 0.00 H new ATOM 0 HB2 ALA A 74 16.253 1.824 -22.264 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.568 3.293 -23.217 1.00 0.00 H new ATOM 1076 N SER A 75 19.079 3.683 -24.561 1.00 0.00 N ATOM 1077 CA SER A 75 19.646 4.246 -25.778 1.00 0.00 C ATOM 1078 C SER A 75 21.115 3.858 -25.951 1.00 0.00 C ATOM 1079 O SER A 75 21.615 3.790 -27.074 1.00 0.00 O ATOM 1080 CB SER A 75 19.486 5.765 -25.779 1.00 0.00 C ATOM 1081 OG SER A 75 19.927 6.326 -24.554 1.00 0.00 O ATOM 0 H SER A 75 18.865 4.369 -23.837 1.00 0.00 H new ATOM 0 HA SER A 75 19.099 3.831 -26.625 1.00 0.00 H new ATOM 0 HB2 SER A 75 20.055 6.193 -26.604 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.440 6.023 -25.945 1.00 0.00 H new ATOM 0 HG SER A 75 20.460 5.665 -24.065 1.00 0.00 H new ATOM 1087 N SER A 76 21.798 3.581 -24.846 1.00 0.00 N ATOM 1088 CA SER A 76 23.201 3.195 -24.900 1.00 0.00 C ATOM 1089 C SER A 76 23.369 1.857 -25.618 1.00 0.00 C ATOM 1090 O SER A 76 24.238 1.713 -26.481 1.00 0.00 O ATOM 1091 CB SER A 76 23.794 3.135 -23.491 1.00 0.00 C ATOM 1092 OG SER A 76 23.764 4.414 -22.878 1.00 0.00 O ATOM 0 H SER A 76 21.404 3.617 -23.906 1.00 0.00 H new ATOM 0 HA SER A 76 23.743 3.951 -25.468 1.00 0.00 H new ATOM 0 HB2 SER A 76 23.233 2.423 -22.885 1.00 0.00 H new ATOM 0 HB3 SER A 76 24.821 2.773 -23.539 1.00 0.00 H new ATOM 0 HG SER A 76 22.947 4.501 -22.343 1.00 0.00 H new ATOM 1098 N MET A 77 22.529 0.881 -25.280 1.00 0.00 N ATOM 1099 CA MET A 77 22.555 -0.400 -25.978 1.00 0.00 C ATOM 1100 C MET A 77 22.016 -0.240 -27.391 1.00 0.00 C ATOM 1101 O MET A 77 22.432 -0.950 -28.305 1.00 0.00 O ATOM 1102 CB MET A 77 21.746 -1.472 -25.248 1.00 0.00 C ATOM 1103 CG MET A 77 22.369 -1.945 -23.948 1.00 0.00 C ATOM 1104 SD MET A 77 21.865 -0.957 -22.538 1.00 0.00 S ATOM 1105 CE MET A 77 20.110 -1.313 -22.505 1.00 0.00 C ATOM 0 H MET A 77 21.832 0.951 -24.538 1.00 0.00 H new ATOM 0 HA MET A 77 23.595 -0.725 -26.009 1.00 0.00 H new ATOM 0 HB2 MET A 77 20.750 -1.080 -25.039 1.00 0.00 H new ATOM 0 HB3 MET A 77 21.619 -2.329 -25.910 1.00 0.00 H new ATOM 0 HG2 MET A 77 22.093 -2.985 -23.775 1.00 0.00 H new ATOM 0 HG3 MET A 77 23.455 -1.914 -24.038 1.00 0.00 H new ATOM 0 HE1 MET A 77 19.630 -0.705 -21.738 1.00 0.00 H new ATOM 0 HE2 MET A 77 19.674 -1.082 -23.477 1.00 0.00 H new ATOM 0 HE3 MET A 77 19.957 -2.368 -22.280 1.00 0.00 H new ATOM 1115 N ALA A 78 21.089 0.696 -27.556 1.00 0.00 N ATOM 1116 CA ALA A 78 20.507 0.981 -28.861 1.00 0.00 C ATOM 1117 C ALA A 78 21.587 1.342 -29.869 1.00 0.00 C ATOM 1118 O ALA A 78 21.579 0.854 -30.991 1.00 0.00 O ATOM 1119 CB ALA A 78 19.491 2.107 -28.754 1.00 0.00 C ATOM 0 H ALA A 78 20.723 1.273 -26.798 1.00 0.00 H new ATOM 0 HA ALA A 78 20.000 0.081 -29.210 1.00 0.00 H new ATOM 0 HB1 ALA A 78 19.065 2.308 -29.737 1.00 0.00 H new ATOM 0 HB2 ALA A 78 18.696 1.816 -28.067 1.00 0.00 H new ATOM 0 HB3 ALA A 78 19.982 3.006 -28.381 1.00 0.00 H new ATOM 1125 N GLU A 79 22.521 2.188 -29.452 1.00 0.00 N ATOM 1126 CA GLU A 79 23.635 2.595 -30.302 1.00 0.00 C ATOM 1127 C GLU A 79 24.456 1.384 -30.741 1.00 0.00 C ATOM 1128 O GLU A 79 24.733 1.203 -31.926 1.00 0.00 O ATOM 1129 CB GLU A 79 24.524 3.584 -29.549 1.00 0.00 C ATOM 1130 CG GLU A 79 23.804 4.867 -29.175 1.00 0.00 C ATOM 1131 CD GLU A 79 24.660 5.815 -28.361 1.00 0.00 C ATOM 1132 OE1 GLU A 79 25.817 6.074 -28.760 1.00 0.00 O ATOM 1133 OE2 GLU A 79 24.173 6.321 -27.324 1.00 0.00 O ATOM 0 H GLU A 79 22.529 2.609 -28.523 1.00 0.00 H new ATOM 0 HA GLU A 79 23.232 3.076 -31.194 1.00 0.00 H new ATOM 0 HB2 GLU A 79 24.900 3.108 -28.643 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.390 3.827 -30.165 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.478 5.372 -30.084 1.00 0.00 H new ATOM 0 HG3 GLU A 79 22.906 4.620 -28.608 1.00 0.00 H new ATOM 1140 N ILE A 80 24.825 0.561 -29.769 1.00 0.00 N ATOM 1141 CA ILE A 80 25.609 -0.650 -30.023 1.00 0.00 C ATOM 1142 C ILE A 80 24.861 -1.594 -30.964 1.00 0.00 C ATOM 1143 O ILE A 80 25.424 -2.111 -31.932 1.00 0.00 O ATOM 1144 CB ILE A 80 25.914 -1.395 -28.703 1.00 0.00 C ATOM 1145 CG1 ILE A 80 26.437 -0.415 -27.653 1.00 0.00 C ATOM 1146 CG2 ILE A 80 26.921 -2.517 -28.920 1.00 0.00 C ATOM 1147 CD1 ILE A 80 26.744 -1.056 -26.319 1.00 0.00 C ATOM 0 H ILE A 80 24.593 0.708 -28.787 1.00 0.00 H new ATOM 0 HA ILE A 80 26.545 -0.341 -30.489 1.00 0.00 H new ATOM 0 HB ILE A 80 24.985 -1.840 -28.347 1.00 0.00 H new ATOM 0 HG12 ILE A 80 27.341 0.062 -28.033 1.00 0.00 H new ATOM 0 HG13 ILE A 80 25.699 0.373 -27.505 1.00 0.00 H new ATOM 0 HG21 ILE A 80 27.114 -3.021 -27.973 1.00 0.00 H new ATOM 0 HG22 ILE A 80 26.519 -3.233 -29.637 1.00 0.00 H new ATOM 0 HG23 ILE A 80 27.852 -2.101 -29.306 1.00 0.00 H new ATOM 0 HD11 ILE A 80 27.110 -0.298 -25.627 1.00 0.00 H new ATOM 0 HD12 ILE A 80 25.838 -1.509 -25.916 1.00 0.00 H new ATOM 0 HD13 ILE A 80 27.506 -1.825 -26.451 1.00 0.00 H new ATOM 1159 N ALA A 81 23.582 -1.791 -30.680 1.00 0.00 N ATOM 1160 CA ALA A 81 22.744 -2.690 -31.460 1.00 0.00 C ATOM 1161 C ALA A 81 22.508 -2.150 -32.868 1.00 0.00 C ATOM 1162 O ALA A 81 22.484 -2.907 -33.841 1.00 0.00 O ATOM 1163 CB ALA A 81 21.410 -2.898 -30.756 1.00 0.00 C ATOM 0 H ALA A 81 23.098 -1.335 -29.907 1.00 0.00 H new ATOM 0 HA ALA A 81 23.264 -3.644 -31.547 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.789 -3.572 -31.346 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.582 -3.332 -29.771 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.903 -1.939 -30.647 1.00 0.00 H new ATOM 1169 N ALA A 82 22.357 -0.836 -32.969 1.00 0.00 N ATOM 1170 CA ALA A 82 22.002 -0.187 -34.235 1.00 0.00 C ATOM 1171 C ALA A 82 23.208 -0.015 -35.145 1.00 0.00 C ATOM 1172 O ALA A 82 23.082 0.461 -36.271 1.00 0.00 O ATOM 1173 CB ALA A 82 21.359 1.167 -33.979 1.00 0.00 C ATOM 0 H ALA A 82 22.475 -0.191 -32.188 1.00 0.00 H new ATOM 0 HA ALA A 82 21.289 -0.840 -34.739 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.102 1.634 -34.930 1.00 0.00 H new ATOM 0 HB2 ALA A 82 20.455 1.034 -33.385 1.00 0.00 H new ATOM 0 HB3 ALA A 82 22.058 1.805 -33.439 1.00 0.00 H new ATOM 1241 N SER A 89 19.710 -9.271 -36.346 1.00 0.00 N ATOM 1242 CA SER A 89 19.037 -7.997 -36.551 1.00 0.00 C ATOM 1243 C SER A 89 18.570 -7.418 -35.213 1.00 0.00 C ATOM 1244 O SER A 89 18.825 -7.993 -34.149 1.00 0.00 O ATOM 1245 CB SER A 89 17.849 -8.175 -37.510 1.00 0.00 C ATOM 1246 OG SER A 89 17.218 -6.935 -37.803 1.00 0.00 O ATOM 0 HA SER A 89 19.741 -7.296 -36.998 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.195 -8.635 -38.436 1.00 0.00 H new ATOM 0 HB3 SER A 89 17.123 -8.857 -37.067 1.00 0.00 H new ATOM 0 HG SER A 89 16.410 -6.842 -37.256 1.00 0.00 H new ATOM 1252 N LEU A 90 17.886 -6.285 -35.273 1.00 0.00 N ATOM 1253 CA LEU A 90 17.400 -5.613 -34.078 1.00 0.00 C ATOM 1254 C LEU A 90 16.351 -6.470 -33.377 1.00 0.00 C ATOM 1255 O LEU A 90 16.226 -6.439 -32.154 1.00 0.00 O ATOM 1256 CB LEU A 90 16.817 -4.243 -34.445 1.00 0.00 C ATOM 1257 CG LEU A 90 16.374 -3.375 -33.263 1.00 0.00 C ATOM 1258 CD1 LEU A 90 17.555 -3.058 -32.357 1.00 0.00 C ATOM 1259 CD2 LEU A 90 15.726 -2.093 -33.766 1.00 0.00 C ATOM 0 H LEU A 90 17.654 -5.809 -36.145 1.00 0.00 H new ATOM 0 HA LEU A 90 18.235 -5.464 -33.394 1.00 0.00 H new ATOM 0 HB2 LEU A 90 17.563 -3.692 -35.018 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.960 -4.396 -35.101 1.00 0.00 H new ATOM 0 HG LEU A 90 15.639 -3.931 -32.681 1.00 0.00 H new ATOM 0 HD11 LEU A 90 17.219 -2.441 -31.524 1.00 0.00 H new ATOM 0 HD12 LEU A 90 17.979 -3.986 -31.973 1.00 0.00 H new ATOM 0 HD13 LEU A 90 18.314 -2.520 -32.924 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.415 -1.485 -32.917 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.443 -1.535 -34.369 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.855 -2.340 -34.373 1.00 0.00 H new ATOM 1271 N SER A 91 15.621 -7.251 -34.163 1.00 0.00 N ATOM 1272 CA SER A 91 14.604 -8.150 -33.632 1.00 0.00 C ATOM 1273 C SER A 91 15.234 -9.201 -32.715 1.00 0.00 C ATOM 1274 O SER A 91 14.614 -9.670 -31.763 1.00 0.00 O ATOM 1275 CB SER A 91 13.877 -8.834 -34.787 1.00 0.00 C ATOM 1276 OG SER A 91 13.565 -7.900 -35.808 1.00 0.00 O ATOM 0 H SER A 91 15.716 -7.280 -35.178 1.00 0.00 H new ATOM 0 HA SER A 91 13.893 -7.568 -33.046 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.500 -9.631 -35.194 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.962 -9.300 -34.422 1.00 0.00 H new ATOM 0 HG SER A 91 13.101 -8.358 -36.540 1.00 0.00 H new ATOM 1282 N THR A 92 16.473 -9.566 -33.011 1.00 0.00 N ATOM 1283 CA THR A 92 17.199 -10.531 -32.205 1.00 0.00 C ATOM 1284 C THR A 92 17.823 -9.844 -30.992 1.00 0.00 C ATOM 1285 O THR A 92 17.736 -10.335 -29.863 1.00 0.00 O ATOM 1286 CB THR A 92 18.314 -11.192 -33.032 1.00 0.00 C ATOM 1287 OG1 THR A 92 17.848 -11.432 -34.367 1.00 0.00 O ATOM 1288 CG2 THR A 92 18.756 -12.505 -32.402 1.00 0.00 C ATOM 0 H THR A 92 16.997 -9.205 -33.808 1.00 0.00 H new ATOM 0 HA THR A 92 16.494 -11.293 -31.872 1.00 0.00 H new ATOM 0 HB THR A 92 19.169 -10.516 -33.056 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.319 -10.840 -34.989 1.00 0.00 H new ATOM 0 HG21 THR A 92 19.545 -12.951 -33.007 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.132 -12.318 -31.396 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.908 -13.188 -32.351 1.00 0.00 H new ATOM 1296 N LYS A 93 18.427 -8.689 -31.243 1.00 0.00 N ATOM 1297 CA LYS A 93 19.171 -7.954 -30.226 1.00 0.00 C ATOM 1298 C LYS A 93 18.280 -7.474 -29.080 1.00 0.00 C ATOM 1299 O LYS A 93 18.672 -7.555 -27.916 1.00 0.00 O ATOM 1300 CB LYS A 93 19.892 -6.771 -30.872 1.00 0.00 C ATOM 1301 CG LYS A 93 21.108 -7.185 -31.683 1.00 0.00 C ATOM 1302 CD LYS A 93 21.701 -6.014 -32.444 1.00 0.00 C ATOM 1303 CE LYS A 93 23.128 -6.292 -32.892 1.00 0.00 C ATOM 1304 NZ LYS A 93 23.246 -7.578 -33.625 1.00 0.00 N ATOM 0 H LYS A 93 18.415 -8.235 -32.156 1.00 0.00 H new ATOM 0 HA LYS A 93 19.899 -8.639 -29.792 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.195 -6.238 -31.519 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.202 -6.073 -30.094 1.00 0.00 H new ATOM 0 HG2 LYS A 93 21.862 -7.606 -31.018 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.827 -7.970 -32.385 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.083 -5.797 -33.315 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.685 -5.126 -31.813 1.00 0.00 H new ATOM 0 HE2 LYS A 93 23.471 -5.479 -33.531 1.00 0.00 H new ATOM 0 HE3 LYS A 93 23.783 -6.311 -32.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 24.164 -7.617 -34.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 23.176 -8.368 -32.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.480 -7.650 -34.325 1.00 0.00 H new ATOM 1318 N THR A 94 17.088 -6.989 -29.408 1.00 0.00 N ATOM 1319 CA THR A 94 16.170 -6.463 -28.401 1.00 0.00 C ATOM 1320 C THR A 94 15.800 -7.525 -27.366 1.00 0.00 C ATOM 1321 O THR A 94 15.909 -7.298 -26.157 1.00 0.00 O ATOM 1322 CB THR A 94 14.888 -5.911 -29.054 1.00 0.00 C ATOM 1323 OG1 THR A 94 14.457 -6.789 -30.102 1.00 0.00 O ATOM 1324 CG2 THR A 94 15.124 -4.519 -29.615 1.00 0.00 C ATOM 0 H THR A 94 16.733 -6.948 -30.363 1.00 0.00 H new ATOM 0 HA THR A 94 16.689 -5.651 -27.893 1.00 0.00 H new ATOM 0 HB THR A 94 14.113 -5.850 -28.290 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.968 -6.601 -30.917 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.205 -4.150 -30.071 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.424 -3.848 -28.810 1.00 0.00 H new ATOM 0 HG23 THR A 94 15.912 -4.559 -30.367 1.00 0.00 H new ATOM 1332 N SER A 95 15.374 -8.686 -27.846 1.00 0.00 N ATOM 1333 CA SER A 95 15.005 -9.793 -26.983 1.00 0.00 C ATOM 1334 C SER A 95 16.207 -10.292 -26.182 1.00 0.00 C ATOM 1335 O SER A 95 16.067 -10.711 -25.032 1.00 0.00 O ATOM 1336 CB SER A 95 14.427 -10.919 -27.832 1.00 0.00 C ATOM 1337 OG SER A 95 13.408 -10.426 -28.686 1.00 0.00 O ATOM 0 H SER A 95 15.276 -8.883 -28.842 1.00 0.00 H new ATOM 0 HA SER A 95 14.254 -9.450 -26.271 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.218 -11.376 -28.427 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.023 -11.698 -27.186 1.00 0.00 H new ATOM 0 HG SER A 95 13.049 -11.161 -29.225 1.00 0.00 H new ATOM 1343 N SER A 96 17.386 -10.227 -26.794 1.00 0.00 N ATOM 1344 CA SER A 96 18.618 -10.663 -26.143 1.00 0.00 C ATOM 1345 C SER A 96 18.869 -9.868 -24.862 1.00 0.00 C ATOM 1346 O SER A 96 19.159 -10.441 -23.809 1.00 0.00 O ATOM 1347 CB SER A 96 19.806 -10.506 -27.099 1.00 0.00 C ATOM 1348 OG SER A 96 19.644 -11.311 -28.254 1.00 0.00 O ATOM 0 H SER A 96 17.515 -9.875 -27.743 1.00 0.00 H new ATOM 0 HA SER A 96 18.509 -11.715 -25.879 1.00 0.00 H new ATOM 0 HB2 SER A 96 19.905 -9.461 -27.392 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.728 -10.782 -26.586 1.00 0.00 H new ATOM 0 HG SER A 96 18.816 -11.061 -28.714 1.00 0.00 H new ATOM 1354 N ILE A 97 18.734 -8.550 -24.957 1.00 0.00 N ATOM 1355 CA ILE A 97 18.964 -7.671 -23.817 1.00 0.00 C ATOM 1356 C ILE A 97 17.958 -7.948 -22.706 1.00 0.00 C ATOM 1357 O ILE A 97 18.335 -8.175 -21.557 1.00 0.00 O ATOM 1358 CB ILE A 97 18.869 -6.181 -24.211 1.00 0.00 C ATOM 1359 CG1 ILE A 97 19.807 -5.881 -25.379 1.00 0.00 C ATOM 1360 CG2 ILE A 97 19.216 -5.298 -23.017 1.00 0.00 C ATOM 1361 CD1 ILE A 97 19.715 -4.456 -25.875 1.00 0.00 C ATOM 0 H ILE A 97 18.466 -8.066 -25.814 1.00 0.00 H new ATOM 0 HA ILE A 97 19.974 -7.878 -23.463 1.00 0.00 H new ATOM 0 HB ILE A 97 17.846 -5.966 -24.521 1.00 0.00 H new ATOM 0 HG12 ILE A 97 20.833 -6.085 -25.073 1.00 0.00 H new ATOM 0 HG13 ILE A 97 19.579 -6.559 -26.201 1.00 0.00 H new ATOM 0 HG21 ILE A 97 19.146 -4.250 -23.307 1.00 0.00 H new ATOM 0 HG22 ILE A 97 18.519 -5.497 -22.203 1.00 0.00 H new ATOM 0 HG23 ILE A 97 20.232 -5.516 -22.687 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.408 -4.314 -26.704 1.00 0.00 H new ATOM 0 HD12 ILE A 97 18.699 -4.253 -26.212 1.00 0.00 H new ATOM 0 HD13 ILE A 97 19.972 -3.772 -25.066 1.00 0.00 H new ATOM 1373 N ALA A 98 16.679 -7.951 -23.066 1.00 0.00 N ATOM 1374 CA ALA A 98 15.607 -8.124 -22.093 1.00 0.00 C ATOM 1375 C ALA A 98 15.695 -9.468 -21.382 1.00 0.00 C ATOM 1376 O ALA A 98 15.407 -9.567 -20.188 1.00 0.00 O ATOM 1377 CB ALA A 98 14.256 -7.974 -22.762 1.00 0.00 C ATOM 0 H ALA A 98 16.359 -7.835 -24.028 1.00 0.00 H new ATOM 0 HA ALA A 98 15.723 -7.344 -21.340 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.467 -8.106 -22.022 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.177 -6.981 -23.204 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.151 -8.727 -23.543 1.00 0.00 H new ATOM 1383 N SER A 99 16.105 -10.500 -22.107 1.00 0.00 N ATOM 1384 CA SER A 99 16.222 -11.824 -21.530 1.00 0.00 C ATOM 1385 C SER A 99 17.326 -11.829 -20.475 1.00 0.00 C ATOM 1386 O SER A 99 17.171 -12.405 -19.397 1.00 0.00 O ATOM 1387 CB SER A 99 16.510 -12.849 -22.629 1.00 0.00 C ATOM 1388 OG SER A 99 16.428 -14.178 -22.137 1.00 0.00 O ATOM 0 H SER A 99 16.361 -10.442 -23.093 1.00 0.00 H new ATOM 0 HA SER A 99 15.283 -12.096 -21.049 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.800 -12.718 -23.445 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.504 -12.673 -23.040 1.00 0.00 H new ATOM 0 HG SER A 99 16.616 -14.808 -22.864 1.00 0.00 H new ATOM 1394 N ALA A 100 18.424 -11.147 -20.782 1.00 0.00 N ATOM 1395 CA ALA A 100 19.538 -11.044 -19.856 1.00 0.00 C ATOM 1396 C ALA A 100 19.170 -10.158 -18.670 1.00 0.00 C ATOM 1397 O ALA A 100 19.582 -10.418 -17.544 1.00 0.00 O ATOM 1398 CB ALA A 100 20.768 -10.498 -20.560 1.00 0.00 C ATOM 0 H ALA A 100 18.563 -10.658 -21.666 1.00 0.00 H new ATOM 0 HA ALA A 100 19.766 -12.043 -19.484 1.00 0.00 H new ATOM 0 HB1 ALA A 100 21.592 -10.428 -19.850 1.00 0.00 H new ATOM 0 HB2 ALA A 100 21.047 -11.165 -21.375 1.00 0.00 H new ATOM 0 HB3 ALA A 100 20.549 -9.508 -20.960 1.00 0.00 H new ATOM 1404 N MET A 101 18.381 -9.118 -18.931 1.00 0.00 N ATOM 1405 CA MET A 101 17.951 -8.198 -17.889 1.00 0.00 C ATOM 1406 C MET A 101 17.055 -8.896 -16.873 1.00 0.00 C ATOM 1407 O MET A 101 17.243 -8.749 -15.665 1.00 0.00 O ATOM 1408 CB MET A 101 17.218 -7.016 -18.513 1.00 0.00 C ATOM 1409 CG MET A 101 18.148 -5.988 -19.134 1.00 0.00 C ATOM 1410 SD MET A 101 17.298 -4.882 -20.273 1.00 0.00 S ATOM 1411 CE MET A 101 15.773 -4.620 -19.389 1.00 0.00 C ATOM 0 H MET A 101 18.027 -8.894 -19.861 1.00 0.00 H new ATOM 0 HA MET A 101 18.836 -7.838 -17.364 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.534 -7.385 -19.277 1.00 0.00 H new ATOM 0 HB3 MET A 101 16.610 -6.531 -17.749 1.00 0.00 H new ATOM 0 HG2 MET A 101 18.614 -5.400 -18.343 1.00 0.00 H new ATOM 0 HG3 MET A 101 18.950 -6.502 -19.664 1.00 0.00 H new ATOM 0 HE1 MET A 101 15.191 -3.846 -19.889 1.00 0.00 H new ATOM 0 HE2 MET A 101 15.201 -5.547 -19.368 1.00 0.00 H new ATOM 0 HE3 MET A 101 15.993 -4.306 -18.369 1.00 0.00 H new ATOM 1421 N SER A 102 16.083 -9.653 -17.373 1.00 0.00 N ATOM 1422 CA SER A 102 15.179 -10.412 -16.517 1.00 0.00 C ATOM 1423 C SER A 102 15.972 -11.394 -15.663 1.00 0.00 C ATOM 1424 O SER A 102 15.784 -11.478 -14.449 1.00 0.00 O ATOM 1425 CB SER A 102 14.147 -11.159 -17.375 1.00 0.00 C ATOM 1426 OG SER A 102 13.216 -11.866 -16.573 1.00 0.00 O ATOM 0 H SER A 102 15.901 -9.757 -18.371 1.00 0.00 H new ATOM 0 HA SER A 102 14.651 -9.724 -15.857 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.617 -10.448 -18.008 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.660 -11.856 -18.038 1.00 0.00 H new ATOM 0 HG SER A 102 12.573 -12.329 -17.150 1.00 0.00 H new ATOM 1432 N ASN A 103 16.876 -12.114 -16.313 1.00 0.00 N ATOM 1433 CA ASN A 103 17.726 -13.094 -15.648 1.00 0.00 C ATOM 1434 C ASN A 103 18.625 -12.429 -14.604 1.00 0.00 C ATOM 1435 O ASN A 103 18.816 -12.956 -13.511 1.00 0.00 O ATOM 1436 CB ASN A 103 18.565 -13.822 -16.703 1.00 0.00 C ATOM 1437 CG ASN A 103 19.631 -14.732 -16.123 1.00 0.00 C ATOM 1438 OD1 ASN A 103 19.461 -15.315 -15.055 1.00 0.00 O ATOM 1439 ND2 ASN A 103 20.737 -14.862 -16.838 1.00 0.00 N ATOM 0 H ASN A 103 17.041 -12.036 -17.316 1.00 0.00 H new ATOM 0 HA ASN A 103 17.098 -13.813 -15.122 1.00 0.00 H new ATOM 0 HB2 ASN A 103 17.902 -14.413 -17.335 1.00 0.00 H new ATOM 0 HB3 ASN A 103 19.043 -13.083 -17.346 1.00 0.00 H new ATOM 0 HD21 ASN A 103 21.490 -15.465 -16.507 1.00 0.00 H new ATOM 0 HD22 ASN A 103 20.836 -14.359 -17.720 1.00 0.00 H new ATOM 1446 N ALA A 104 19.151 -11.262 -14.937 1.00 0.00 N ATOM 1447 CA ALA A 104 20.058 -10.546 -14.049 1.00 0.00 C ATOM 1448 C ALA A 104 19.356 -10.074 -12.776 1.00 0.00 C ATOM 1449 O ALA A 104 19.876 -10.243 -11.670 1.00 0.00 O ATOM 1450 CB ALA A 104 20.668 -9.364 -14.775 1.00 0.00 C ATOM 0 H ALA A 104 18.965 -10.787 -15.820 1.00 0.00 H new ATOM 0 HA ALA A 104 20.846 -11.239 -13.753 1.00 0.00 H new ATOM 0 HB1 ALA A 104 21.344 -8.835 -14.104 1.00 0.00 H new ATOM 0 HB2 ALA A 104 21.222 -9.718 -15.644 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.877 -8.688 -15.100 1.00 0.00 H new ATOM 1456 N PHE A 105 18.178 -9.483 -12.933 1.00 0.00 N ATOM 1457 CA PHE A 105 17.413 -8.991 -11.791 1.00 0.00 C ATOM 1458 C PHE A 105 16.964 -10.175 -10.935 1.00 0.00 C ATOM 1459 O PHE A 105 16.836 -10.077 -9.712 1.00 0.00 O ATOM 1460 CB PHE A 105 16.207 -8.177 -12.278 1.00 0.00 C ATOM 1461 CG PHE A 105 15.820 -7.056 -11.358 1.00 0.00 C ATOM 1462 CD1 PHE A 105 16.719 -6.044 -11.069 1.00 0.00 C ATOM 1463 CD2 PHE A 105 14.560 -7.010 -10.787 1.00 0.00 C ATOM 1464 CE1 PHE A 105 16.371 -5.008 -10.227 1.00 0.00 C ATOM 1465 CE2 PHE A 105 14.204 -5.974 -9.944 1.00 0.00 C ATOM 1466 CZ PHE A 105 15.112 -4.971 -9.664 1.00 0.00 C ATOM 0 H PHE A 105 17.731 -9.332 -13.837 1.00 0.00 H new ATOM 0 HA PHE A 105 18.039 -8.337 -11.184 1.00 0.00 H new ATOM 0 HB2 PHE A 105 16.432 -7.766 -13.262 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.355 -8.845 -12.399 1.00 0.00 H new ATOM 0 HD1 PHE A 105 17.705 -6.066 -11.508 1.00 0.00 H new ATOM 0 HD2 PHE A 105 13.847 -7.792 -11.002 1.00 0.00 H new ATOM 0 HE1 PHE A 105 17.084 -4.226 -10.009 1.00 0.00 H new ATOM 0 HE2 PHE A 105 13.218 -5.949 -9.505 1.00 0.00 H new ATOM 0 HZ PHE A 105 14.837 -4.160 -9.006 1.00 0.00 H new ATOM 1476 N LEU A 106 16.759 -11.299 -11.606 1.00 0.00 N ATOM 1477 CA LEU A 106 16.392 -12.549 -10.981 1.00 0.00 C ATOM 1478 C LEU A 106 17.484 -13.070 -10.046 1.00 0.00 C ATOM 1479 O LEU A 106 17.192 -13.758 -9.069 1.00 0.00 O ATOM 1480 CB LEU A 106 16.144 -13.541 -12.100 1.00 0.00 C ATOM 1481 CG LEU A 106 15.261 -14.726 -11.779 1.00 0.00 C ATOM 1482 CD1 LEU A 106 13.994 -14.274 -11.067 1.00 0.00 C ATOM 1483 CD2 LEU A 106 14.930 -15.422 -13.079 1.00 0.00 C ATOM 0 H LEU A 106 16.846 -11.363 -12.620 1.00 0.00 H new ATOM 0 HA LEU A 106 15.505 -12.406 -10.364 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.700 -13.004 -12.938 1.00 0.00 H new ATOM 0 HB3 LEU A 106 17.109 -13.918 -12.439 1.00 0.00 H new ATOM 0 HG LEU A 106 15.779 -15.413 -11.109 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.372 -15.141 -10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.259 -13.770 -10.138 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.442 -13.587 -11.708 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.293 -16.283 -12.879 1.00 0.00 H new ATOM 0 HD22 LEU A 106 14.408 -14.730 -13.740 1.00 0.00 H new ATOM 0 HD23 LEU A 106 15.851 -15.756 -13.558 1.00 0.00 H new ATOM 1495 N GLN A 107 18.737 -12.746 -10.344 1.00 0.00 N ATOM 1496 CA GLN A 107 19.859 -13.256 -9.556 1.00 0.00 C ATOM 1497 C GLN A 107 20.219 -12.304 -8.429 1.00 0.00 C ATOM 1498 O GLN A 107 20.891 -12.685 -7.473 1.00 0.00 O ATOM 1499 CB GLN A 107 21.095 -13.473 -10.437 1.00 0.00 C ATOM 1500 CG GLN A 107 20.810 -14.257 -11.702 1.00 0.00 C ATOM 1501 CD GLN A 107 20.071 -15.550 -11.438 1.00 0.00 C ATOM 1502 OE1 GLN A 107 20.272 -16.205 -10.414 1.00 0.00 O ATOM 1503 NE2 GLN A 107 19.177 -15.901 -12.345 1.00 0.00 N ATOM 0 H GLN A 107 19.003 -12.138 -11.118 1.00 0.00 H new ATOM 0 HA GLN A 107 19.543 -14.209 -9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 107 21.513 -12.503 -10.707 1.00 0.00 H new ATOM 0 HB3 GLN A 107 21.855 -13.997 -9.858 1.00 0.00 H new ATOM 0 HG2 GLN A 107 20.222 -13.640 -12.381 1.00 0.00 H new ATOM 0 HG3 GLN A 107 21.751 -14.478 -12.206 1.00 0.00 H new ATOM 0 HE21 GLN A 107 19.044 -15.328 -13.178 1.00 0.00 H new ATOM 0 HE22 GLN A 107 18.620 -16.745 -12.212 1.00 0.00 H new ATOM 1512 N THR A 108 19.769 -11.069 -8.541 1.00 0.00 N ATOM 1513 CA THR A 108 20.164 -10.038 -7.604 1.00 0.00 C ATOM 1514 C THR A 108 19.164 -9.891 -6.465 1.00 0.00 C ATOM 1515 O THR A 108 19.502 -10.098 -5.300 1.00 0.00 O ATOM 1516 CB THR A 108 20.332 -8.694 -8.326 1.00 0.00 C ATOM 1517 OG1 THR A 108 19.281 -8.519 -9.281 1.00 0.00 O ATOM 1518 CG2 THR A 108 21.672 -8.625 -9.035 1.00 0.00 C ATOM 0 H THR A 108 19.130 -10.756 -9.272 1.00 0.00 H new ATOM 0 HA THR A 108 21.119 -10.341 -7.174 1.00 0.00 H new ATOM 0 HB THR A 108 20.288 -7.900 -7.581 1.00 0.00 H new ATOM 0 HG1 THR A 108 19.483 -9.036 -10.088 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.768 -7.663 -9.539 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.475 -8.734 -8.306 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.737 -9.428 -9.769 1.00 0.00 H new ATOM 1526 N THR A 109 17.937 -9.540 -6.803 1.00 0.00 N ATOM 1527 CA THR A 109 16.914 -9.324 -5.795 1.00 0.00 C ATOM 1528 C THR A 109 15.877 -10.448 -5.820 1.00 0.00 C ATOM 1529 O THR A 109 14.970 -10.494 -4.984 1.00 0.00 O ATOM 1530 CB THR A 109 16.246 -7.941 -5.981 1.00 0.00 C ATOM 1531 OG1 THR A 109 15.163 -7.762 -5.060 1.00 0.00 O ATOM 1532 CG2 THR A 109 15.747 -7.767 -7.404 1.00 0.00 C ATOM 0 H THR A 109 17.625 -9.399 -7.764 1.00 0.00 H new ATOM 0 HA THR A 109 17.392 -9.336 -4.815 1.00 0.00 H new ATOM 0 HB THR A 109 17.002 -7.183 -5.779 1.00 0.00 H new ATOM 0 HG1 THR A 109 14.771 -8.633 -4.843 1.00 0.00 H new ATOM 0 HG21 THR A 109 15.282 -6.787 -7.509 1.00 0.00 H new ATOM 0 HG22 THR A 109 16.585 -7.847 -8.096 1.00 0.00 H new ATOM 0 HG23 THR A 109 15.015 -8.542 -7.630 1.00 0.00 H new ATOM 1540 N GLY A 110 16.016 -11.353 -6.787 1.00 0.00 N ATOM 1541 CA GLY A 110 15.177 -12.538 -6.831 1.00 0.00 C ATOM 1542 C GLY A 110 13.820 -12.291 -7.458 1.00 0.00 C ATOM 1543 O GLY A 110 12.982 -13.189 -7.513 1.00 0.00 O ATOM 0 H GLY A 110 16.698 -11.285 -7.543 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.692 -13.318 -7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 110 15.038 -12.914 -5.817 1.00 0.00 H new ATOM 1547 N VAL A 111 13.597 -11.076 -7.931 1.00 0.00 N ATOM 1548 CA VAL A 111 12.323 -10.720 -8.540 1.00 0.00 C ATOM 1549 C VAL A 111 12.554 -10.220 -9.957 1.00 0.00 C ATOM 1550 O VAL A 111 13.634 -9.732 -10.276 1.00 0.00 O ATOM 1551 CB VAL A 111 11.582 -9.627 -7.727 1.00 0.00 C ATOM 1552 CG1 VAL A 111 10.146 -9.459 -8.211 1.00 0.00 C ATOM 1553 CG2 VAL A 111 11.614 -9.939 -6.237 1.00 0.00 C ATOM 0 H VAL A 111 14.280 -10.319 -7.906 1.00 0.00 H new ATOM 0 HA VAL A 111 11.701 -11.615 -8.552 1.00 0.00 H new ATOM 0 HB VAL A 111 12.104 -8.684 -7.888 1.00 0.00 H new ATOM 0 HG11 VAL A 111 9.652 -8.686 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.148 -9.169 -9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.610 -10.401 -8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.087 -9.157 -5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.129 -10.898 -6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.649 -9.986 -5.897 1.00 0.00 H new ATOM 1563 N VAL A 112 11.551 -10.364 -10.807 1.00 0.00 N ATOM 1564 CA VAL A 112 11.633 -9.866 -12.167 1.00 0.00 C ATOM 1565 C VAL A 112 10.875 -8.550 -12.300 1.00 0.00 C ATOM 1566 O VAL A 112 9.647 -8.523 -12.216 1.00 0.00 O ATOM 1567 CB VAL A 112 11.068 -10.874 -13.187 1.00 0.00 C ATOM 1568 CG1 VAL A 112 11.167 -10.320 -14.601 1.00 0.00 C ATOM 1569 CG2 VAL A 112 11.792 -12.205 -13.083 1.00 0.00 C ATOM 0 H VAL A 112 10.669 -10.823 -10.577 1.00 0.00 H new ATOM 0 HA VAL A 112 12.690 -9.712 -12.384 1.00 0.00 H new ATOM 0 HB VAL A 112 10.015 -11.038 -12.957 1.00 0.00 H new ATOM 0 HG11 VAL A 112 10.763 -11.047 -15.306 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.598 -9.393 -14.669 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.212 -10.123 -14.842 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.378 -12.902 -13.811 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.853 -12.059 -13.283 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.665 -12.611 -12.079 1.00 0.00 H new ATOM 1579 N ASN A 113 11.604 -7.464 -12.498 1.00 0.00 N ATOM 1580 CA ASN A 113 10.981 -6.165 -12.701 1.00 0.00 C ATOM 1581 C ASN A 113 10.623 -5.998 -14.171 1.00 0.00 C ATOM 1582 O ASN A 113 11.360 -5.388 -14.946 1.00 0.00 O ATOM 1583 CB ASN A 113 11.903 -5.036 -12.228 1.00 0.00 C ATOM 1584 CG ASN A 113 11.214 -3.682 -12.192 1.00 0.00 C ATOM 1585 OD1 ASN A 113 10.354 -3.376 -13.015 1.00 0.00 O ATOM 1586 ND2 ASN A 113 11.582 -2.864 -11.217 1.00 0.00 N ATOM 0 H ASN A 113 12.624 -7.455 -12.523 1.00 0.00 H new ATOM 0 HA ASN A 113 10.069 -6.112 -12.107 1.00 0.00 H new ATOM 0 HB2 ASN A 113 12.278 -5.273 -11.232 1.00 0.00 H new ATOM 0 HB3 ASN A 113 12.768 -4.980 -12.889 1.00 0.00 H new ATOM 0 HD21 ASN A 113 11.148 -1.945 -11.131 1.00 0.00 H new ATOM 0 HD22 ASN A 113 12.300 -3.153 -10.552 1.00 0.00 H new ATOM 1593 N GLN A 114 9.500 -6.585 -14.548 1.00 0.00 N ATOM 1594 CA GLN A 114 9.040 -6.577 -15.930 1.00 0.00 C ATOM 1595 C GLN A 114 8.671 -5.166 -16.428 1.00 0.00 C ATOM 1596 O GLN A 114 9.028 -4.813 -17.555 1.00 0.00 O ATOM 1597 CB GLN A 114 7.855 -7.533 -16.090 1.00 0.00 C ATOM 1598 CG GLN A 114 7.403 -7.727 -17.528 1.00 0.00 C ATOM 1599 CD GLN A 114 8.499 -8.287 -18.419 1.00 0.00 C ATOM 1600 OE1 GLN A 114 9.247 -7.404 -19.065 1.00 0.00 O flip ATOM 1601 NE2 GLN A 114 8.665 -9.498 -18.536 1.00 0.00 N flip ATOM 0 H GLN A 114 8.881 -7.081 -13.907 1.00 0.00 H new ATOM 0 HA GLN A 114 9.870 -6.917 -16.550 1.00 0.00 H new ATOM 0 HB2 GLN A 114 8.125 -8.503 -15.672 1.00 0.00 H new ATOM 0 HB3 GLN A 114 7.016 -7.156 -15.505 1.00 0.00 H new ATOM 0 HG2 GLN A 114 6.546 -8.400 -17.547 1.00 0.00 H new ATOM 0 HG3 GLN A 114 7.067 -6.771 -17.930 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.069 -10.147 -18.022 1.00 0.00 H new ATOM 0 HE22 GLN A 114 9.399 -9.855 -19.147 1.00 0.00 H new ATOM 1610 N PRO A 115 7.935 -4.346 -15.633 1.00 0.00 N ATOM 1611 CA PRO A 115 7.582 -2.970 -16.019 1.00 0.00 C ATOM 1612 C PRO A 115 8.771 -2.170 -16.556 1.00 0.00 C ATOM 1613 O PRO A 115 8.689 -1.584 -17.636 1.00 0.00 O ATOM 1614 CB PRO A 115 7.049 -2.337 -14.722 1.00 0.00 C ATOM 1615 CG PRO A 115 7.255 -3.355 -13.646 1.00 0.00 C ATOM 1616 CD PRO A 115 7.343 -4.686 -14.332 1.00 0.00 C ATOM 0 HA PRO A 115 6.858 -2.969 -16.834 1.00 0.00 H new ATOM 0 HB2 PRO A 115 7.581 -1.414 -14.492 1.00 0.00 H new ATOM 0 HB3 PRO A 115 5.994 -2.081 -14.819 1.00 0.00 H new ATOM 0 HG2 PRO A 115 8.166 -3.147 -13.084 1.00 0.00 H new ATOM 0 HG3 PRO A 115 6.430 -3.339 -12.934 1.00 0.00 H new ATOM 0 HD2 PRO A 115 7.965 -5.387 -13.776 1.00 0.00 H new ATOM 0 HD3 PRO A 115 6.362 -5.149 -14.443 1.00 0.00 H new ATOM 1624 N PHE A 116 9.887 -2.180 -15.829 1.00 0.00 N ATOM 1625 CA PHE A 116 11.061 -1.409 -16.228 1.00 0.00 C ATOM 1626 C PHE A 116 11.683 -1.994 -17.487 1.00 0.00 C ATOM 1627 O PHE A 116 12.230 -1.268 -18.315 1.00 0.00 O ATOM 1628 CB PHE A 116 12.098 -1.361 -15.101 1.00 0.00 C ATOM 1629 CG PHE A 116 11.852 -0.275 -14.091 1.00 0.00 C ATOM 1630 CD1 PHE A 116 10.770 -0.337 -13.230 1.00 0.00 C ATOM 1631 CD2 PHE A 116 12.710 0.810 -14.005 1.00 0.00 C ATOM 1632 CE1 PHE A 116 10.545 0.661 -12.301 1.00 0.00 C ATOM 1633 CE2 PHE A 116 12.491 1.813 -13.078 1.00 0.00 C ATOM 1634 CZ PHE A 116 11.407 1.738 -12.226 1.00 0.00 C ATOM 0 H PHE A 116 10.002 -2.711 -14.965 1.00 0.00 H new ATOM 0 HA PHE A 116 10.735 -0.390 -16.437 1.00 0.00 H new ATOM 0 HB2 PHE A 116 12.109 -2.323 -14.589 1.00 0.00 H new ATOM 0 HB3 PHE A 116 13.087 -1.221 -15.537 1.00 0.00 H new ATOM 0 HD1 PHE A 116 10.093 -1.176 -13.285 1.00 0.00 H new ATOM 0 HD2 PHE A 116 13.559 0.873 -14.669 1.00 0.00 H new ATOM 0 HE1 PHE A 116 9.697 0.599 -11.635 1.00 0.00 H new ATOM 0 HE2 PHE A 116 13.167 2.653 -13.021 1.00 0.00 H new ATOM 0 HZ PHE A 116 11.233 2.520 -11.502 1.00 0.00 H new ATOM 1644 N ILE A 117 11.577 -3.309 -17.632 1.00 0.00 N ATOM 1645 CA ILE A 117 12.106 -3.984 -18.805 1.00 0.00 C ATOM 1646 C ILE A 117 11.362 -3.535 -20.061 1.00 0.00 C ATOM 1647 O ILE A 117 11.961 -3.359 -21.124 1.00 0.00 O ATOM 1648 CB ILE A 117 12.039 -5.527 -18.666 1.00 0.00 C ATOM 1649 CG1 ILE A 117 12.959 -5.990 -17.529 1.00 0.00 C ATOM 1650 CG2 ILE A 117 12.419 -6.208 -19.978 1.00 0.00 C ATOM 1651 CD1 ILE A 117 13.070 -7.495 -17.402 1.00 0.00 C ATOM 0 H ILE A 117 11.131 -3.926 -16.953 1.00 0.00 H new ATOM 0 HA ILE A 117 13.156 -3.706 -18.893 1.00 0.00 H new ATOM 0 HB ILE A 117 11.014 -5.811 -18.427 1.00 0.00 H new ATOM 0 HG12 ILE A 117 13.954 -5.575 -17.688 1.00 0.00 H new ATOM 0 HG13 ILE A 117 12.590 -5.582 -16.588 1.00 0.00 H new ATOM 0 HG21 ILE A 117 12.365 -7.290 -19.856 1.00 0.00 H new ATOM 0 HG22 ILE A 117 11.730 -5.896 -20.763 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.435 -5.925 -20.254 1.00 0.00 H new ATOM 0 HD11 ILE A 117 13.737 -7.742 -16.577 1.00 0.00 H new ATOM 0 HD12 ILE A 117 12.084 -7.918 -17.210 1.00 0.00 H new ATOM 0 HD13 ILE A 117 13.469 -7.910 -18.328 1.00 0.00 H new ATOM 1663 N ASN A 118 10.058 -3.314 -19.923 1.00 0.00 N ATOM 1664 CA ASN A 118 9.236 -2.867 -21.044 1.00 0.00 C ATOM 1665 C ASN A 118 9.604 -1.450 -21.463 1.00 0.00 C ATOM 1666 O ASN A 118 9.462 -1.081 -22.627 1.00 0.00 O ATOM 1667 CB ASN A 118 7.747 -2.929 -20.702 1.00 0.00 C ATOM 1668 CG ASN A 118 7.177 -4.330 -20.802 1.00 0.00 C ATOM 1669 OD1 ASN A 118 7.142 -5.045 -19.689 1.00 0.00 O flip ATOM 1670 ND2 ASN A 118 6.752 -4.762 -21.873 1.00 0.00 N flip ATOM 0 H ASN A 118 9.548 -3.437 -19.048 1.00 0.00 H new ATOM 0 HA ASN A 118 9.432 -3.544 -21.875 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.596 -2.552 -19.691 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.197 -2.270 -21.374 1.00 0.00 H new ATOM 0 HD21 ASN A 118 6.796 -4.181 -22.711 1.00 0.00 H new ATOM 0 HD22 ASN A 118 6.356 -5.701 -21.923 1.00 0.00 H new ATOM 1677 N GLU A 119 10.072 -0.657 -20.511 1.00 0.00 N ATOM 1678 CA GLU A 119 10.492 0.704 -20.806 1.00 0.00 C ATOM 1679 C GLU A 119 11.777 0.694 -21.625 1.00 0.00 C ATOM 1680 O GLU A 119 11.843 1.288 -22.699 1.00 0.00 O ATOM 1681 CB GLU A 119 10.687 1.502 -19.515 1.00 0.00 C ATOM 1682 CG GLU A 119 9.442 1.556 -18.647 1.00 0.00 C ATOM 1683 CD GLU A 119 9.587 2.497 -17.470 1.00 0.00 C ATOM 1684 OE1 GLU A 119 10.068 2.059 -16.403 1.00 0.00 O ATOM 1685 OE2 GLU A 119 9.205 3.676 -17.604 1.00 0.00 O ATOM 0 H GLU A 119 10.170 -0.930 -19.533 1.00 0.00 H new ATOM 0 HA GLU A 119 9.709 1.187 -21.390 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.502 1.059 -18.942 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.990 2.518 -19.767 1.00 0.00 H new ATOM 0 HG2 GLU A 119 8.594 1.871 -19.255 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.217 0.555 -18.280 1.00 0.00 H new ATOM 1692 N ILE A 120 12.786 -0.009 -21.120 1.00 0.00 N ATOM 1693 CA ILE A 120 14.072 -0.103 -21.800 1.00 0.00 C ATOM 1694 C ILE A 120 13.922 -0.688 -23.207 1.00 0.00 C ATOM 1695 O ILE A 120 14.400 -0.098 -24.172 1.00 0.00 O ATOM 1696 CB ILE A 120 15.094 -0.936 -20.973 1.00 0.00 C ATOM 1697 CG1 ILE A 120 15.786 -0.063 -19.919 1.00 0.00 C ATOM 1698 CG2 ILE A 120 16.142 -1.584 -21.867 1.00 0.00 C ATOM 1699 CD1 ILE A 120 14.869 0.497 -18.857 1.00 0.00 C ATOM 0 H ILE A 120 12.737 -0.523 -20.240 1.00 0.00 H new ATOM 0 HA ILE A 120 14.457 0.912 -21.894 1.00 0.00 H new ATOM 0 HB ILE A 120 14.533 -1.725 -20.472 1.00 0.00 H new ATOM 0 HG12 ILE A 120 16.564 -0.653 -19.433 1.00 0.00 H new ATOM 0 HG13 ILE A 120 16.283 0.766 -20.424 1.00 0.00 H new ATOM 0 HG21 ILE A 120 16.838 -2.157 -21.255 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.652 -2.249 -22.579 1.00 0.00 H new ATOM 0 HG23 ILE A 120 16.687 -0.811 -22.408 1.00 0.00 H new ATOM 0 HD11 ILE A 120 15.448 1.100 -18.158 1.00 0.00 H new ATOM 0 HD12 ILE A 120 14.106 1.118 -19.326 1.00 0.00 H new ATOM 0 HD13 ILE A 120 14.391 -0.322 -18.320 1.00 0.00 H new ATOM 1711 N THR A 121 13.234 -1.821 -23.322 1.00 0.00 N ATOM 1712 CA THR A 121 13.122 -2.525 -24.601 1.00 0.00 C ATOM 1713 C THR A 121 12.556 -1.638 -25.710 1.00 0.00 C ATOM 1714 O THR A 121 13.108 -1.586 -26.814 1.00 0.00 O ATOM 1715 CB THR A 121 12.254 -3.790 -24.470 1.00 0.00 C ATOM 1716 OG1 THR A 121 11.091 -3.509 -23.682 1.00 0.00 O ATOM 1717 CG2 THR A 121 13.045 -4.922 -23.836 1.00 0.00 C ATOM 0 H THR A 121 12.746 -2.272 -22.548 1.00 0.00 H new ATOM 0 HA THR A 121 14.138 -2.809 -24.877 1.00 0.00 H new ATOM 0 HB THR A 121 11.945 -4.099 -25.469 1.00 0.00 H new ATOM 0 HG1 THR A 121 11.314 -3.586 -22.731 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.413 -5.806 -23.753 1.00 0.00 H new ATOM 0 HG22 THR A 121 13.911 -5.153 -24.456 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.379 -4.621 -22.843 1.00 0.00 H new ATOM 1725 N GLN A 122 11.470 -0.934 -25.415 1.00 0.00 N ATOM 1726 CA GLN A 122 10.837 -0.067 -26.401 1.00 0.00 C ATOM 1727 C GLN A 122 11.766 1.076 -26.789 1.00 0.00 C ATOM 1728 O GLN A 122 11.874 1.428 -27.964 1.00 0.00 O ATOM 1729 CB GLN A 122 9.513 0.485 -25.867 1.00 0.00 C ATOM 1730 CG GLN A 122 8.491 -0.593 -25.549 1.00 0.00 C ATOM 1731 CD GLN A 122 8.157 -1.467 -26.745 1.00 0.00 C ATOM 1732 OE1 GLN A 122 8.205 -1.024 -27.891 1.00 0.00 O ATOM 1733 NE2 GLN A 122 7.819 -2.718 -26.482 1.00 0.00 N ATOM 0 H GLN A 122 11.011 -0.946 -24.504 1.00 0.00 H new ATOM 0 HA GLN A 122 10.630 -0.663 -27.290 1.00 0.00 H new ATOM 0 HB2 GLN A 122 9.708 1.067 -24.966 1.00 0.00 H new ATOM 0 HB3 GLN A 122 9.091 1.169 -26.603 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.872 -1.220 -24.743 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.578 -0.123 -25.183 1.00 0.00 H new ATOM 0 HE21 GLN A 122 7.791 -3.047 -25.517 1.00 0.00 H new ATOM 0 HE22 GLN A 122 7.586 -3.354 -27.244 1.00 0.00 H new ATOM 1742 N LEU A 123 12.452 1.639 -25.801 1.00 0.00 N ATOM 1743 CA LEU A 123 13.381 2.734 -26.047 1.00 0.00 C ATOM 1744 C LEU A 123 14.602 2.259 -26.830 1.00 0.00 C ATOM 1745 O LEU A 123 15.089 2.978 -27.698 1.00 0.00 O ATOM 1746 CB LEU A 123 13.807 3.397 -24.734 1.00 0.00 C ATOM 1747 CG LEU A 123 12.898 4.532 -24.240 1.00 0.00 C ATOM 1748 CD1 LEU A 123 11.464 4.059 -24.045 1.00 0.00 C ATOM 1749 CD2 LEU A 123 13.438 5.118 -22.947 1.00 0.00 C ATOM 0 H LEU A 123 12.382 1.355 -24.824 1.00 0.00 H new ATOM 0 HA LEU A 123 12.861 3.477 -26.652 1.00 0.00 H new ATOM 0 HB2 LEU A 123 13.856 2.631 -23.960 1.00 0.00 H new ATOM 0 HB3 LEU A 123 14.816 3.791 -24.857 1.00 0.00 H new ATOM 0 HG LEU A 123 12.891 5.306 -25.007 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.851 4.890 -23.695 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.070 3.692 -24.993 1.00 0.00 H new ATOM 0 HD13 LEU A 123 11.443 3.257 -23.308 1.00 0.00 H new ATOM 0 HD21 LEU A 123 12.783 5.921 -22.610 1.00 0.00 H new ATOM 0 HD22 LEU A 123 13.480 4.340 -22.185 1.00 0.00 H new ATOM 0 HD23 LEU A 123 14.439 5.514 -23.117 1.00 0.00 H new ATOM 1761 N VAL A 124 15.086 1.052 -26.533 1.00 0.00 N ATOM 1762 CA VAL A 124 16.201 0.473 -27.281 1.00 0.00 C ATOM 1763 C VAL A 124 15.871 0.440 -28.765 1.00 0.00 C ATOM 1764 O VAL A 124 16.617 0.956 -29.590 1.00 0.00 O ATOM 1765 CB VAL A 124 16.537 -0.969 -26.821 1.00 0.00 C ATOM 1766 CG1 VAL A 124 17.604 -1.588 -27.715 1.00 0.00 C ATOM 1767 CG2 VAL A 124 17.003 -0.985 -25.376 1.00 0.00 C ATOM 0 H VAL A 124 14.726 0.460 -25.784 1.00 0.00 H new ATOM 0 HA VAL A 124 17.068 1.105 -27.090 1.00 0.00 H new ATOM 0 HB VAL A 124 15.625 -1.561 -26.900 1.00 0.00 H new ATOM 0 HG11 VAL A 124 17.823 -2.599 -27.373 1.00 0.00 H new ATOM 0 HG12 VAL A 124 17.242 -1.623 -28.743 1.00 0.00 H new ATOM 0 HG13 VAL A 124 18.511 -0.985 -27.670 1.00 0.00 H new ATOM 0 HG21 VAL A 124 17.232 -2.008 -25.079 1.00 0.00 H new ATOM 0 HG22 VAL A 124 17.897 -0.369 -25.275 1.00 0.00 H new ATOM 0 HG23 VAL A 124 16.215 -0.589 -24.735 1.00 0.00 H new ATOM 1777 N SER A 125 14.730 -0.152 -29.084 1.00 0.00 N ATOM 1778 CA SER A 125 14.300 -0.300 -30.463 1.00 0.00 C ATOM 1779 C SER A 125 14.078 1.067 -31.113 1.00 0.00 C ATOM 1780 O SER A 125 14.580 1.338 -32.209 1.00 0.00 O ATOM 1781 CB SER A 125 13.018 -1.138 -30.513 1.00 0.00 C ATOM 1782 OG SER A 125 12.641 -1.428 -31.847 1.00 0.00 O ATOM 0 H SER A 125 14.082 -0.540 -28.399 1.00 0.00 H new ATOM 0 HA SER A 125 15.082 -0.812 -31.024 1.00 0.00 H new ATOM 0 HB2 SER A 125 13.168 -2.068 -29.966 1.00 0.00 H new ATOM 0 HB3 SER A 125 12.211 -0.601 -30.014 1.00 0.00 H new ATOM 0 HG SER A 125 11.821 -1.965 -31.846 1.00 0.00 H new ATOM 1788 N MET A 126 13.351 1.934 -30.416 1.00 0.00 N ATOM 1789 CA MET A 126 13.004 3.248 -30.937 1.00 0.00 C ATOM 1790 C MET A 126 14.249 4.100 -31.186 1.00 0.00 C ATOM 1791 O MET A 126 14.391 4.701 -32.255 1.00 0.00 O ATOM 1792 CB MET A 126 12.041 3.947 -29.969 1.00 0.00 C ATOM 1793 CG MET A 126 11.626 5.341 -30.402 1.00 0.00 C ATOM 1794 SD MET A 126 12.616 6.635 -29.626 1.00 0.00 S ATOM 1795 CE MET A 126 12.104 6.457 -27.920 1.00 0.00 C ATOM 0 H MET A 126 12.989 1.746 -29.481 1.00 0.00 H new ATOM 0 HA MET A 126 12.509 3.120 -31.900 1.00 0.00 H new ATOM 0 HB2 MET A 126 11.148 3.333 -29.856 1.00 0.00 H new ATOM 0 HB3 MET A 126 12.511 4.009 -28.988 1.00 0.00 H new ATOM 0 HG2 MET A 126 11.715 5.422 -31.485 1.00 0.00 H new ATOM 0 HG3 MET A 126 10.576 5.496 -30.156 1.00 0.00 H new ATOM 0 HE1 MET A 126 12.181 7.420 -27.415 1.00 0.00 H new ATOM 0 HE2 MET A 126 11.071 6.110 -27.884 1.00 0.00 H new ATOM 0 HE3 MET A 126 12.748 5.733 -27.421 1.00 0.00 H new ATOM 1805 N PHE A 127 15.157 4.136 -30.218 1.00 0.00 N ATOM 1806 CA PHE A 127 16.380 4.921 -30.349 1.00 0.00 C ATOM 1807 C PHE A 127 17.350 4.283 -31.343 1.00 0.00 C ATOM 1808 O PHE A 127 18.166 4.973 -31.950 1.00 0.00 O ATOM 1809 CB PHE A 127 17.063 5.107 -28.990 1.00 0.00 C ATOM 1810 CG PHE A 127 16.420 6.156 -28.126 1.00 0.00 C ATOM 1811 CD1 PHE A 127 16.318 7.467 -28.566 1.00 0.00 C ATOM 1812 CD2 PHE A 127 15.923 5.833 -26.874 1.00 0.00 C ATOM 1813 CE1 PHE A 127 15.731 8.434 -27.773 1.00 0.00 C ATOM 1814 CE2 PHE A 127 15.337 6.795 -26.076 1.00 0.00 C ATOM 1815 CZ PHE A 127 15.240 8.098 -26.526 1.00 0.00 C ATOM 0 H PHE A 127 15.071 3.632 -29.335 1.00 0.00 H new ATOM 0 HA PHE A 127 16.095 5.901 -30.732 1.00 0.00 H new ATOM 0 HB2 PHE A 127 17.056 4.156 -28.457 1.00 0.00 H new ATOM 0 HB3 PHE A 127 18.107 5.373 -29.152 1.00 0.00 H new ATOM 0 HD1 PHE A 127 16.702 7.735 -29.539 1.00 0.00 H new ATOM 0 HD2 PHE A 127 15.995 4.816 -26.518 1.00 0.00 H new ATOM 0 HE1 PHE A 127 15.656 9.451 -28.127 1.00 0.00 H new ATOM 0 HE2 PHE A 127 14.955 6.530 -25.101 1.00 0.00 H new ATOM 0 HZ PHE A 127 14.781 8.852 -25.904 1.00 0.00 H new ATOM 1825 N ALA A 128 17.259 2.970 -31.507 1.00 0.00 N ATOM 1826 CA ALA A 128 18.113 2.264 -32.452 1.00 0.00 C ATOM 1827 C ALA A 128 17.758 2.637 -33.886 1.00 0.00 C ATOM 1828 O ALA A 128 18.618 3.060 -34.659 1.00 0.00 O ATOM 1829 CB ALA A 128 18.008 0.760 -32.257 1.00 0.00 C ATOM 0 H ALA A 128 16.605 2.374 -31.000 1.00 0.00 H new ATOM 0 HA ALA A 128 19.143 2.565 -32.262 1.00 0.00 H new ATOM 0 HB1 ALA A 128 18.655 0.254 -32.974 1.00 0.00 H new ATOM 0 HB2 ALA A 128 18.317 0.502 -31.244 1.00 0.00 H new ATOM 0 HB3 ALA A 128 16.976 0.444 -32.413 1.00 0.00 H new ATOM 1835 N GLN A 129 16.483 2.494 -34.232 1.00 0.00 N ATOM 1836 CA GLN A 129 16.020 2.787 -35.582 1.00 0.00 C ATOM 1837 C GLN A 129 16.220 4.261 -35.929 1.00 0.00 C ATOM 1838 O GLN A 129 16.489 4.604 -37.082 1.00 0.00 O ATOM 1839 CB GLN A 129 14.549 2.406 -35.725 1.00 0.00 C ATOM 1840 CG GLN A 129 14.272 0.963 -35.355 1.00 0.00 C ATOM 1841 CD GLN A 129 12.829 0.571 -35.567 1.00 0.00 C ATOM 1842 OE1 GLN A 129 11.924 1.400 -35.492 1.00 0.00 O ATOM 1843 NE2 GLN A 129 12.608 -0.702 -35.826 1.00 0.00 N ATOM 0 H GLN A 129 15.752 2.177 -33.595 1.00 0.00 H new ATOM 0 HA GLN A 129 16.613 2.195 -36.279 1.00 0.00 H new ATOM 0 HB2 GLN A 129 13.947 3.059 -35.093 1.00 0.00 H new ATOM 0 HB3 GLN A 129 14.233 2.578 -36.754 1.00 0.00 H new ATOM 0 HG2 GLN A 129 14.912 0.311 -35.950 1.00 0.00 H new ATOM 0 HG3 GLN A 129 14.537 0.803 -34.310 1.00 0.00 H new ATOM 0 HE21 GLN A 129 13.390 -1.355 -35.879 1.00 0.00 H new ATOM 0 HE22 GLN A 129 11.655 -1.034 -35.974 1.00 0.00 H new