USER MOD reduce.3.24.130724 H: found=0, std=0, add=1113, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 936 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 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 114 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Set 2.1: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 144 HIS : no HE2:sc=0.000579 X(o=0.00058,f=-0.16) USER MOD Set 3.1: A 85 GLN : amide:sc= -0.832 K(o=-1,f=-5.2) USER MOD Set 3.2: A 148 THR OG1 : rot 150:sc= -0.19 USER MOD Set 4.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 SER OG : rot -11:sc= 0.901 USER MOD Set 4.3: A 52 GLN : amide:sc= -0.143 K(o=0.76,f=-5.2!) USER MOD Set 5.1: A 16 GLN : amide:sc= -3.97! C(o=-8.5!,f=-13!) USER MOD Set 5.2: A 36 HIS : no HD1:sc= -4.57 X(o=-8.5,f=-8.6) USER MOD Single : A 1 CYS N :NH3+ 144:sc= 0.365 (180deg=0.114) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0467 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 10 ASN :FLIP amide:sc=-0.00861 F(o=-1.1,f=-0.0086) USER MOD Single : A 11 THR OG1 : rot -14:sc= 0.701 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -127:sc= -4.38! (180deg=-10.1!) USER MOD Single : A 18 SER OG : rot 26:sc= 0.417 USER MOD Single : A 22 SER OG : rot 84:sc= 0.00812 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.946 USER MOD Single : A 34 TYR OH : rot 141:sc= 0.162 USER MOD Single : A 42 ASN : amide:sc= -0.614 K(o=-0.61,f=-3!) USER MOD Single : A 43 GLN : amide:sc= -0.0375 K(o=-0.038,f=-1.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN :FLIP amide:sc= -2.82 F(o=-3.7,f=-2.8) USER MOD Single : A 50 THR OG1 : rot 180:sc= -2.37! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3.28! C(o=-3.3!,f=-2.8!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot -27:sc= 0.268 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 71 THR OG1 : rot -90:sc= -0.94 USER MOD Single : A 75 THR OG1 : rot 170:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.53 K(o=-0.53,f=-1.3!) USER MOD Single : A 83 HIS : no HD1:sc= -0.0265 X(o=-0.027,f=0) USER MOD Single : A 89 SER OG : rot 180:sc=-0.00882 USER MOD Single : A 90 TYR OH : rot 30:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 144:sc= -1.23 (180deg=-2.19!) USER MOD Single : A 94 HIS : no HD1:sc= -4.62! X(o=-4.6!,f=-4.2) USER MOD Single : A 95 SER OG : rot 25:sc= 1.24 USER MOD Single : A 100 GLN : amide:sc=-0.000689 X(o=-0.00069,f=-0.37) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -0.493 K(o=-0.49,f=-1.4) USER MOD Single : A 119 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.9!) USER MOD Single : A 120 ASN : amide:sc= -0.0236 X(o=-0.024,f=-0.024) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.366 K(o=-0.37,f=-2.4) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc=-0.00515 K(o=-0.0051,f=-4.5!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 TYR OH : rot -170:sc= 0.0203 USER MOD Single : A 142 SER OG : rot 180:sc= -0.404 USER MOD Single : A 145 ASN : amide:sc= -1.56 X(o=-1.6,f=-2) USER MOD ----------------------------------------------------------------- ATOM 74 N CYS A 1 3.789 15.093 -14.522 1.00 54.15 N ATOM 75 CA CYS A 1 3.590 14.429 -13.240 1.00 24.23 C ATOM 76 C CYS A 1 3.709 12.915 -13.389 1.00 64.14 C ATOM 77 O CYS A 1 4.134 12.414 -14.431 1.00 71.55 O ATOM 78 CB CYS A 1 2.221 14.790 -12.661 1.00 5.24 C ATOM 79 SG CYS A 1 1.892 16.581 -12.592 1.00 64.43 S ATOM 0 H1 CYS A 1 3.164 15.922 -14.585 1.00 54.15 H new ATOM 0 H2 CYS A 1 4.779 15.400 -14.604 1.00 54.15 H new ATOM 0 H3 CYS A 1 3.566 14.432 -15.294 1.00 54.15 H new ATOM 0 HA CYS A 1 4.367 14.772 -12.557 1.00 24.23 H new ATOM 0 HB2 CYS A 1 1.447 14.312 -13.261 1.00 5.24 H new ATOM 0 HB3 CYS A 1 2.144 14.378 -11.655 1.00 5.24 H new ATOM 83 N SER A 2 3.330 12.191 -12.340 1.00 65.42 N ATOM 84 CA SER A 2 3.396 10.734 -12.352 1.00 44.41 C ATOM 85 C SER A 2 4.840 10.257 -12.471 1.00 71.03 C ATOM 86 O SER A 2 5.249 9.737 -13.509 1.00 60.20 O ATOM 87 CB SER A 2 2.565 10.174 -13.509 1.00 71.33 C ATOM 88 OG SER A 2 2.110 8.863 -13.221 1.00 12.43 O ATOM 0 H SER A 2 2.974 12.590 -11.471 1.00 65.42 H new ATOM 0 HA SER A 2 2.987 10.369 -11.410 1.00 44.41 H new ATOM 0 HB2 SER A 2 1.712 10.826 -13.697 1.00 71.33 H new ATOM 0 HB3 SER A 2 3.164 10.163 -14.419 1.00 71.33 H new ATOM 0 HG SER A 2 1.580 8.528 -13.974 1.00 12.43 H new ATOM 93 N GLU A 3 5.607 10.439 -11.401 1.00 15.11 N ATOM 94 CA GLU A 3 7.006 10.029 -11.386 1.00 31.22 C ATOM 95 C GLU A 3 7.299 9.140 -10.181 1.00 24.22 C ATOM 96 O GLU A 3 6.671 9.252 -9.128 1.00 32.52 O ATOM 97 CB GLU A 3 7.920 11.256 -11.363 1.00 31.13 C ATOM 98 CG GLU A 3 7.492 12.353 -12.323 1.00 60.51 C ATOM 99 CD GLU A 3 7.619 11.939 -13.776 1.00 34.23 C ATOM 100 OE1 GLU A 3 8.602 11.246 -14.112 1.00 20.24 O ATOM 101 OE2 GLU A 3 6.735 12.309 -14.577 1.00 24.23 O ATOM 0 H GLU A 3 5.283 10.867 -10.534 1.00 15.11 H new ATOM 0 HA GLU A 3 7.200 9.457 -12.293 1.00 31.22 H new ATOM 0 HB2 GLU A 3 7.946 11.660 -10.351 1.00 31.13 H new ATOM 0 HB3 GLU A 3 8.936 10.946 -11.608 1.00 31.13 H new ATOM 0 HG2 GLU A 3 6.458 12.628 -12.117 1.00 60.51 H new ATOM 0 HG3 GLU A 3 8.099 13.241 -12.148 1.00 60.51 H new ATOM 106 N PRO A 4 8.276 8.234 -10.337 1.00 62.23 N ATOM 107 CA PRO A 4 8.675 7.307 -9.273 1.00 51.45 C ATOM 108 C PRO A 4 9.382 8.016 -8.124 1.00 21.30 C ATOM 109 O PRO A 4 9.366 9.244 -8.034 1.00 33.41 O ATOM 110 CB PRO A 4 9.633 6.347 -9.981 1.00 13.54 C ATOM 111 CG PRO A 4 10.176 7.129 -11.127 1.00 41.04 C ATOM 112 CD PRO A 4 9.066 8.045 -11.565 1.00 25.13 C ATOM 0 HA PRO A 4 7.816 6.814 -8.817 1.00 51.45 H new ATOM 0 HB2 PRO A 4 10.429 6.019 -9.313 1.00 13.54 H new ATOM 0 HB3 PRO A 4 9.115 5.451 -10.323 1.00 13.54 H new ATOM 0 HG2 PRO A 4 11.057 7.698 -10.829 1.00 41.04 H new ATOM 0 HG3 PRO A 4 10.482 6.470 -11.939 1.00 41.04 H new ATOM 0 HD2 PRO A 4 9.452 8.991 -11.944 1.00 25.13 H new ATOM 0 HD3 PRO A 4 8.470 7.601 -12.362 1.00 25.13 H new ATOM 117 N LEU A 5 10.003 7.235 -7.246 1.00 51.02 N ATOM 118 CA LEU A 5 10.718 7.789 -6.101 1.00 24.11 C ATOM 119 C LEU A 5 12.224 7.613 -6.262 1.00 43.01 C ATOM 120 O LEU A 5 13.012 8.344 -5.665 1.00 32.42 O ATOM 121 CB LEU A 5 10.250 7.115 -4.809 1.00 21.10 C ATOM 122 CG LEU A 5 9.915 5.627 -4.912 1.00 31.54 C ATOM 123 CD1 LEU A 5 11.176 4.811 -5.147 1.00 3.23 C ATOM 124 CD2 LEU A 5 9.198 5.154 -3.655 1.00 21.00 C ATOM 0 H LEU A 5 10.026 6.217 -7.305 1.00 51.02 H new ATOM 0 HA LEU A 5 10.499 8.856 -6.048 1.00 24.11 H new ATOM 0 HB2 LEU A 5 11.027 7.241 -4.055 1.00 21.10 H new ATOM 0 HB3 LEU A 5 9.367 7.642 -4.447 1.00 21.10 H new ATOM 0 HG LEU A 5 9.249 5.482 -5.763 1.00 31.54 H new ATOM 0 HD11 LEU A 5 10.918 3.754 -5.218 1.00 3.23 H new ATOM 0 HD12 LEU A 5 11.649 5.132 -6.075 1.00 3.23 H new ATOM 0 HD13 LEU A 5 11.866 4.961 -4.317 1.00 3.23 H new ATOM 0 HD21 LEU A 5 8.967 4.093 -3.745 1.00 21.00 H new ATOM 0 HD22 LEU A 5 9.840 5.313 -2.788 1.00 21.00 H new ATOM 0 HD23 LEU A 5 8.273 5.717 -3.530 1.00 21.00 H new ATOM 135 N GLY A 6 12.617 6.638 -7.078 1.00 12.24 N ATOM 136 CA GLY A 6 14.028 6.385 -7.305 1.00 51.03 C ATOM 137 C GLY A 6 14.278 5.589 -8.571 1.00 73.43 C ATOM 138 O GLY A 6 15.222 4.801 -8.641 1.00 43.24 O ATOM 0 H GLY A 6 11.984 6.020 -7.585 1.00 12.24 H new ATOM 0 HA2 GLY A 6 14.559 7.335 -7.366 1.00 51.03 H new ATOM 0 HA3 GLY A 6 14.439 5.844 -6.452 1.00 51.03 H new ATOM 142 N LEU A 7 13.430 5.794 -9.573 1.00 22.43 N ATOM 143 CA LEU A 7 13.562 5.087 -10.842 1.00 12.22 C ATOM 144 C LEU A 7 13.760 6.069 -11.993 1.00 25.05 C ATOM 145 O LEU A 7 13.614 5.709 -13.161 1.00 44.32 O ATOM 146 CB LEU A 7 12.326 4.224 -11.100 1.00 63.35 C ATOM 147 CG LEU A 7 11.719 3.539 -9.875 1.00 23.00 C ATOM 148 CD1 LEU A 7 10.548 2.657 -10.282 1.00 73.01 C ATOM 149 CD2 LEU A 7 12.774 2.723 -9.144 1.00 23.54 C ATOM 0 H LEU A 7 12.644 6.443 -9.531 1.00 22.43 H new ATOM 0 HA LEU A 7 14.440 4.443 -10.781 1.00 12.22 H new ATOM 0 HB2 LEU A 7 11.560 4.849 -11.559 1.00 63.35 H new ATOM 0 HB3 LEU A 7 12.589 3.456 -11.828 1.00 63.35 H new ATOM 0 HG LEU A 7 11.349 4.309 -9.198 1.00 23.00 H new ATOM 0 HD11 LEU A 7 10.129 2.178 -9.397 1.00 73.01 H new ATOM 0 HD12 LEU A 7 9.782 3.267 -10.761 1.00 73.01 H new ATOM 0 HD13 LEU A 7 10.893 1.893 -10.979 1.00 73.01 H new ATOM 0 HD21 LEU A 7 12.325 2.242 -8.275 1.00 23.54 H new ATOM 0 HD22 LEU A 7 13.174 1.961 -9.814 1.00 23.54 H new ATOM 0 HD23 LEU A 7 13.581 3.380 -8.819 1.00 23.54 H new ATOM 160 N LYS A 8 14.096 7.309 -11.655 1.00 63.50 N ATOM 161 CA LYS A 8 14.318 8.342 -12.660 1.00 72.24 C ATOM 162 C LYS A 8 15.674 9.011 -12.462 1.00 24.25 C ATOM 163 O LYS A 8 16.566 8.886 -13.301 1.00 74.33 O ATOM 164 CB LYS A 8 13.206 9.392 -12.595 1.00 11.13 C ATOM 165 CG LYS A 8 13.201 10.345 -13.777 1.00 60.34 C ATOM 166 CD LYS A 8 12.862 11.764 -13.349 1.00 31.24 C ATOM 167 CE LYS A 8 12.157 12.529 -14.459 1.00 21.33 C ATOM 168 NZ LYS A 8 11.414 13.707 -13.935 1.00 32.01 N ATOM 0 H LYS A 8 14.221 7.623 -10.693 1.00 63.50 H new ATOM 0 HA LYS A 8 14.306 7.868 -13.641 1.00 72.24 H new ATOM 0 HB2 LYS A 8 12.242 8.886 -12.543 1.00 11.13 H new ATOM 0 HB3 LYS A 8 13.314 9.967 -11.675 1.00 11.13 H new ATOM 0 HG2 LYS A 8 14.179 10.333 -14.259 1.00 60.34 H new ATOM 0 HG3 LYS A 8 12.477 10.004 -14.517 1.00 60.34 H new ATOM 0 HD2 LYS A 8 12.226 11.736 -12.464 1.00 31.24 H new ATOM 0 HD3 LYS A 8 13.775 12.288 -13.068 1.00 31.24 H new ATOM 0 HE2 LYS A 8 12.890 12.860 -15.194 1.00 21.33 H new ATOM 0 HE3 LYS A 8 11.465 11.864 -14.976 1.00 21.33 H new ATOM 0 HZ1 LYS A 8 10.948 14.201 -14.722 1.00 32.01 H new ATOM 0 HZ2 LYS A 8 10.697 13.389 -13.252 1.00 32.01 H new ATOM 0 HZ3 LYS A 8 12.078 14.355 -13.464 1.00 32.01 H new ATOM 178 N ASN A 9 15.824 9.717 -11.346 1.00 0.24 N ATOM 179 CA ASN A 9 17.073 10.404 -11.038 1.00 31.35 C ATOM 180 C ASN A 9 17.472 10.180 -9.583 1.00 14.12 C ATOM 181 O ASN A 9 18.648 9.997 -9.272 1.00 1.24 O ATOM 182 CB ASN A 9 16.938 11.902 -11.317 1.00 0.32 C ATOM 183 CG ASN A 9 17.468 12.285 -12.686 1.00 44.12 C ATOM 184 OD1 ASN A 9 16.714 12.359 -13.657 1.00 65.20 O ATOM 185 ND2 ASN A 9 18.770 12.530 -12.769 1.00 64.22 N ATOM 0 H ASN A 9 15.096 9.828 -10.640 1.00 0.24 H new ATOM 0 HA ASN A 9 17.853 9.991 -11.678 1.00 31.35 H new ATOM 0 HB2 ASN A 9 15.889 12.190 -11.243 1.00 0.32 H new ATOM 0 HB3 ASN A 9 17.477 12.461 -10.552 1.00 0.32 H new ATOM 0 HD21 ASN A 9 19.184 12.792 -13.664 1.00 64.22 H new ATOM 0 HD22 ASN A 9 19.357 12.456 -11.938 1.00 64.22 H new ATOM 191 N ASN A 10 16.483 10.197 -8.694 1.00 50.11 N ATOM 192 CA ASN A 10 16.731 9.997 -7.272 1.00 31.43 C ATOM 193 C ASN A 10 17.526 8.717 -7.033 1.00 22.52 C ATOM 194 O ASN A 10 18.425 8.678 -6.192 1.00 15.34 O ATOM 195 CB ASN A 10 15.408 9.938 -6.506 1.00 72.34 C ATOM 196 CG ASN A 10 14.864 11.317 -6.185 1.00 72.33 C ATOM 197 OD1 ASN A 10 14.900 12.211 -7.167 1.00 15.35 O flip ATOM 198 ND2 ASN A 10 14.416 11.575 -5.067 1.00 21.12 N flip ATOM 0 H ASN A 10 15.503 10.347 -8.934 1.00 50.11 H new ATOM 0 HA ASN A 10 17.317 10.841 -6.909 1.00 31.43 H new ATOM 0 HB2 ASN A 10 14.674 9.389 -7.096 1.00 72.34 H new ATOM 0 HB3 ASN A 10 15.552 9.382 -5.579 1.00 72.34 H new ATOM 0 HD21 ASN A 10 14.408 10.857 -4.343 1.00 21.12 H new ATOM 0 HD22 ASN A 10 14.053 12.507 -4.866 1.00 21.12 H new ATOM 204 N THR A 11 17.189 7.669 -7.779 1.00 14.15 N ATOM 205 CA THR A 11 17.870 6.387 -7.648 1.00 52.21 C ATOM 206 C THR A 11 17.954 5.955 -6.189 1.00 23.51 C ATOM 207 O THR A 11 18.972 5.422 -5.747 1.00 35.44 O ATOM 208 CB THR A 11 19.292 6.444 -8.237 1.00 15.11 C ATOM 209 OG1 THR A 11 20.155 7.183 -7.364 1.00 70.22 O ATOM 210 CG2 THR A 11 19.283 7.091 -9.614 1.00 21.31 C ATOM 0 H THR A 11 16.448 7.683 -8.480 1.00 14.15 H new ATOM 0 HA THR A 11 17.282 5.659 -8.206 1.00 52.21 H new ATOM 0 HB THR A 11 19.661 5.423 -8.335 1.00 15.11 H new ATOM 0 HG1 THR A 11 19.616 7.671 -6.707 1.00 70.22 H new ATOM 0 HG21 THR A 11 20.298 7.120 -10.009 1.00 21.31 H new ATOM 0 HG22 THR A 11 18.649 6.511 -10.284 1.00 21.31 H new ATOM 0 HG23 THR A 11 18.895 8.107 -9.536 1.00 21.31 H new ATOM 218 N ILE A 12 16.876 6.184 -5.447 1.00 35.14 N ATOM 219 CA ILE A 12 16.828 5.816 -4.037 1.00 12.12 C ATOM 220 C ILE A 12 17.237 4.361 -3.834 1.00 13.24 C ATOM 221 O ILE A 12 16.787 3.459 -4.540 1.00 44.44 O ATOM 222 CB ILE A 12 15.421 6.028 -3.447 1.00 41.35 C ATOM 223 CG1 ILE A 12 14.976 7.479 -3.640 1.00 13.42 C ATOM 224 CG2 ILE A 12 15.402 5.654 -1.972 1.00 4.52 C ATOM 225 CD1 ILE A 12 15.857 8.481 -2.925 1.00 2.32 C ATOM 0 H ILE A 12 16.025 6.622 -5.798 1.00 35.14 H new ATOM 0 HA ILE A 12 17.533 6.465 -3.518 1.00 12.12 H new ATOM 0 HB ILE A 12 14.721 5.380 -3.975 1.00 41.35 H new ATOM 0 HG12 ILE A 12 14.968 7.710 -4.705 1.00 13.42 H new ATOM 0 HG13 ILE A 12 13.952 7.587 -3.282 1.00 13.42 H new ATOM 0 HG21 ILE A 12 14.401 5.809 -1.570 1.00 4.52 H new ATOM 0 HG22 ILE A 12 15.680 4.606 -1.859 1.00 4.52 H new ATOM 0 HG23 ILE A 12 16.112 6.278 -1.429 1.00 4.52 H new ATOM 0 HD11 ILE A 12 15.483 9.489 -3.106 1.00 2.32 H new ATOM 0 HD12 ILE A 12 15.846 8.276 -1.854 1.00 2.32 H new ATOM 0 HD13 ILE A 12 16.878 8.401 -3.299 1.00 2.32 H new ATOM 236 N PRO A 13 18.113 4.126 -2.846 1.00 25.55 N ATOM 237 CA PRO A 13 18.601 2.781 -2.525 1.00 73.00 C ATOM 238 C PRO A 13 17.518 1.902 -1.908 1.00 3.22 C ATOM 239 O PRO A 13 16.338 2.250 -1.929 1.00 64.32 O ATOM 240 CB PRO A 13 19.719 3.042 -1.512 1.00 70.30 C ATOM 241 CG PRO A 13 19.367 4.348 -0.888 1.00 60.21 C ATOM 242 CD PRO A 13 18.693 5.153 -1.964 1.00 62.51 C ATOM 0 HA PRO A 13 18.929 2.244 -3.415 1.00 73.00 H new ATOM 0 HB2 PRO A 13 19.771 2.248 -0.767 1.00 70.30 H new ATOM 0 HB3 PRO A 13 20.693 3.086 -2.000 1.00 70.30 H new ATOM 0 HG2 PRO A 13 18.705 4.206 -0.034 1.00 60.21 H new ATOM 0 HG3 PRO A 13 20.258 4.857 -0.520 1.00 60.21 H new ATOM 0 HD2 PRO A 13 17.926 5.810 -1.554 1.00 62.51 H new ATOM 0 HD3 PRO A 13 19.403 5.786 -2.497 1.00 62.51 H new ATOM 247 N ASP A 14 17.927 0.764 -1.361 1.00 3.55 N ATOM 248 CA ASP A 14 16.992 -0.165 -0.737 1.00 53.32 C ATOM 249 C ASP A 14 16.738 0.216 0.718 1.00 23.11 C ATOM 250 O ASP A 14 16.839 -0.620 1.615 1.00 23.54 O ATOM 251 CB ASP A 14 17.529 -1.595 -0.817 1.00 53.15 C ATOM 252 CG ASP A 14 18.798 -1.782 -0.009 1.00 62.41 C ATOM 253 OD1 ASP A 14 19.861 -1.300 -0.453 1.00 61.33 O ATOM 254 OD2 ASP A 14 18.728 -2.412 1.067 1.00 72.31 O ATOM 0 H ASP A 14 18.901 0.462 -1.337 1.00 3.55 H new ATOM 0 HA ASP A 14 16.048 -0.110 -1.279 1.00 53.32 H new ATOM 0 HB2 ASP A 14 16.767 -2.287 -0.457 1.00 53.15 H new ATOM 0 HB3 ASP A 14 17.724 -1.849 -1.859 1.00 53.15 H new ATOM 258 N SER A 15 16.408 1.483 0.944 1.00 13.25 N ATOM 259 CA SER A 15 16.145 1.976 2.291 1.00 12.23 C ATOM 260 C SER A 15 14.817 2.725 2.346 1.00 41.35 C ATOM 261 O SER A 15 14.498 3.371 3.343 1.00 75.24 O ATOM 262 CB SER A 15 17.280 2.893 2.752 1.00 72.11 C ATOM 263 OG SER A 15 18.465 2.649 2.015 1.00 42.35 O ATOM 0 H SER A 15 16.316 2.187 0.212 1.00 13.25 H new ATOM 0 HA SER A 15 16.086 1.118 2.960 1.00 12.23 H new ATOM 0 HB2 SER A 15 16.982 3.934 2.632 1.00 72.11 H new ATOM 0 HB3 SER A 15 17.470 2.736 3.814 1.00 72.11 H new ATOM 0 HG SER A 15 19.174 3.249 2.328 1.00 42.35 H new ATOM 268 N GLN A 16 14.048 2.632 1.266 1.00 64.40 N ATOM 269 CA GLN A 16 12.755 3.301 1.190 1.00 61.03 C ATOM 270 C GLN A 16 11.637 2.383 1.676 1.00 1.25 C ATOM 271 O GLN A 16 10.730 2.816 2.386 1.00 44.04 O ATOM 272 CB GLN A 16 12.472 3.751 -0.245 1.00 23.23 C ATOM 273 CG GLN A 16 12.417 2.604 -1.242 1.00 55.13 C ATOM 274 CD GLN A 16 12.923 3.000 -2.615 1.00 30.11 C ATOM 275 OE1 GLN A 16 13.072 4.185 -2.917 1.00 71.41 O ATOM 276 NE2 GLN A 16 13.190 2.008 -3.457 1.00 32.43 N ATOM 0 H GLN A 16 14.298 2.100 0.432 1.00 64.40 H new ATOM 0 HA GLN A 16 12.790 4.177 1.838 1.00 61.03 H new ATOM 0 HB2 GLN A 16 11.524 4.288 -0.268 1.00 23.23 H new ATOM 0 HB3 GLN A 16 13.244 4.455 -0.555 1.00 23.23 H new ATOM 0 HG2 GLN A 16 13.012 1.772 -0.866 1.00 55.13 H new ATOM 0 HG3 GLN A 16 11.390 2.249 -1.326 1.00 55.13 H new ATOM 0 HE21 GLN A 16 13.052 1.040 -3.165 1.00 32.43 H new ATOM 0 HE22 GLN A 16 13.533 2.214 -4.395 1.00 32.43 H new ATOM 283 N MET A 17 11.711 1.113 1.290 1.00 11.23 N ATOM 284 CA MET A 17 10.707 0.134 1.688 1.00 43.44 C ATOM 285 C MET A 17 11.178 -0.670 2.894 1.00 14.14 C ATOM 286 O MET A 17 12.370 -0.941 3.043 1.00 22.13 O ATOM 287 CB MET A 17 10.391 -0.807 0.524 1.00 33.05 C ATOM 288 CG MET A 17 9.017 -0.584 -0.084 1.00 60.35 C ATOM 289 SD MET A 17 8.808 -1.436 -1.660 1.00 53.44 S ATOM 290 CE MET A 17 8.506 -3.111 -1.103 1.00 35.21 C ATOM 0 H MET A 17 12.456 0.738 0.702 1.00 11.23 H new ATOM 0 HA MET A 17 9.801 0.673 1.966 1.00 43.44 H new ATOM 0 HB2 MET A 17 11.147 -0.679 -0.251 1.00 33.05 H new ATOM 0 HB3 MET A 17 10.462 -1.838 0.872 1.00 33.05 H new ATOM 0 HG2 MET A 17 8.255 -0.928 0.615 1.00 60.35 H new ATOM 0 HG3 MET A 17 8.857 0.484 -0.229 1.00 60.35 H new ATOM 0 HE1 MET A 17 9.198 -3.790 -1.601 1.00 35.21 H new ATOM 0 HE2 MET A 17 8.655 -3.168 -0.025 1.00 35.21 H new ATOM 0 HE3 MET A 17 7.482 -3.395 -1.344 1.00 35.21 H new ATOM 298 N SER A 18 10.238 -1.047 3.754 1.00 64.12 N ATOM 299 CA SER A 18 10.559 -1.817 4.950 1.00 23.33 C ATOM 300 C SER A 18 9.327 -2.552 5.471 1.00 0.10 C ATOM 301 O SER A 18 8.314 -1.934 5.796 1.00 32.33 O ATOM 302 CB SER A 18 11.117 -0.898 6.039 1.00 24.11 C ATOM 303 OG SER A 18 10.460 0.357 6.032 1.00 20.01 O ATOM 0 H SER A 18 9.247 -0.832 3.645 1.00 64.12 H new ATOM 0 HA SER A 18 11.315 -2.555 4.684 1.00 23.33 H new ATOM 0 HB2 SER A 18 10.997 -1.370 7.014 1.00 24.11 H new ATOM 0 HB3 SER A 18 12.186 -0.753 5.885 1.00 24.11 H new ATOM 0 HG SER A 18 9.563 0.254 5.652 1.00 20.01 H new ATOM 308 N ALA A 19 9.424 -3.875 5.546 1.00 63.35 N ATOM 309 CA ALA A 19 8.318 -4.695 6.029 1.00 53.34 C ATOM 310 C ALA A 19 8.738 -5.525 7.237 1.00 54.43 C ATOM 311 O ALA A 19 9.913 -5.557 7.602 1.00 72.22 O ATOM 312 CB ALA A 19 7.807 -5.598 4.917 1.00 24.11 C ATOM 0 H ALA A 19 10.255 -4.402 5.279 1.00 63.35 H new ATOM 0 HA ALA A 19 7.513 -4.030 6.341 1.00 53.34 H new ATOM 0 HB1 ALA A 19 6.982 -6.204 5.291 1.00 24.11 H new ATOM 0 HB2 ALA A 19 7.460 -4.988 4.083 1.00 24.11 H new ATOM 0 HB3 ALA A 19 8.612 -6.250 4.579 1.00 24.11 H new ATOM 318 N SER A 20 7.769 -6.194 7.854 1.00 25.44 N ATOM 319 CA SER A 20 8.038 -7.021 9.024 1.00 31.30 C ATOM 320 C SER A 20 9.198 -7.976 8.761 1.00 3.35 C ATOM 321 O SER A 20 10.184 -7.991 9.497 1.00 4.12 O ATOM 322 CB SER A 20 6.788 -7.814 9.413 1.00 52.24 C ATOM 323 OG SER A 20 7.132 -9.094 9.913 1.00 65.53 O ATOM 0 H SER A 20 6.791 -6.179 7.563 1.00 25.44 H new ATOM 0 HA SER A 20 8.313 -6.362 9.847 1.00 31.30 H new ATOM 0 HB2 SER A 20 6.225 -7.265 10.167 1.00 52.24 H new ATOM 0 HB3 SER A 20 6.137 -7.922 8.545 1.00 52.24 H new ATOM 0 HG SER A 20 6.317 -9.580 10.156 1.00 65.53 H new ATOM 328 N SER A 21 9.071 -8.773 7.704 1.00 15.54 N ATOM 329 CA SER A 21 10.107 -9.734 7.344 1.00 24.33 C ATOM 330 C SER A 21 9.939 -10.198 5.900 1.00 32.14 C ATOM 331 O SER A 21 8.820 -10.315 5.401 1.00 45.31 O ATOM 332 CB SER A 21 10.065 -10.939 8.286 1.00 52.44 C ATOM 333 OG SER A 21 10.363 -10.556 9.618 1.00 53.35 O ATOM 0 H SER A 21 8.262 -8.772 7.083 1.00 15.54 H new ATOM 0 HA SER A 21 11.074 -9.241 7.440 1.00 24.33 H new ATOM 0 HB2 SER A 21 9.078 -11.399 8.249 1.00 52.44 H new ATOM 0 HB3 SER A 21 10.780 -11.691 7.952 1.00 52.44 H new ATOM 0 HG SER A 21 10.700 -9.636 9.626 1.00 53.35 H new ATOM 338 N SER A 22 11.060 -10.460 5.235 1.00 13.22 N ATOM 339 CA SER A 22 11.038 -10.907 3.847 1.00 31.05 C ATOM 340 C SER A 22 11.418 -12.381 3.745 1.00 32.42 C ATOM 341 O SER A 22 11.949 -12.964 4.692 1.00 51.40 O ATOM 342 CB SER A 22 11.995 -10.063 3.002 1.00 70.32 C ATOM 343 OG SER A 22 13.185 -10.776 2.713 1.00 35.13 O ATOM 0 H SER A 22 11.994 -10.370 5.635 1.00 13.22 H new ATOM 0 HA SER A 22 10.024 -10.784 3.468 1.00 31.05 H new ATOM 0 HB2 SER A 22 11.505 -9.774 2.072 1.00 70.32 H new ATOM 0 HB3 SER A 22 12.239 -9.143 3.533 1.00 70.32 H new ATOM 0 HG SER A 22 13.041 -11.350 1.932 1.00 35.13 H new ATOM 348 N TYR A 23 11.142 -12.978 2.592 1.00 5.24 N ATOM 349 CA TYR A 23 11.451 -14.385 2.365 1.00 2.05 C ATOM 350 C TYR A 23 12.893 -14.695 2.759 1.00 5.22 C ATOM 351 O TYR A 23 13.771 -13.838 2.674 1.00 53.42 O ATOM 352 CB TYR A 23 11.222 -14.750 0.897 1.00 33.31 C ATOM 353 CG TYR A 23 12.293 -14.225 -0.031 1.00 42.13 C ATOM 354 CD1 TYR A 23 12.457 -12.860 -0.233 1.00 3.42 C ATOM 355 CD2 TYR A 23 13.140 -15.094 -0.709 1.00 32.02 C ATOM 356 CE1 TYR A 23 13.434 -12.376 -1.082 1.00 24.40 C ATOM 357 CE2 TYR A 23 14.120 -14.618 -1.558 1.00 64.00 C ATOM 358 CZ TYR A 23 14.264 -13.259 -1.742 1.00 70.43 C ATOM 359 OH TYR A 23 15.237 -12.782 -2.588 1.00 13.24 O ATOM 0 H TYR A 23 10.704 -12.509 1.799 1.00 5.24 H new ATOM 0 HA TYR A 23 10.785 -14.982 2.988 1.00 2.05 H new ATOM 0 HB2 TYR A 23 11.173 -15.835 0.804 1.00 33.31 H new ATOM 0 HB3 TYR A 23 10.255 -14.359 0.581 1.00 33.31 H new ATOM 0 HD1 TYR A 23 11.810 -12.166 0.282 1.00 3.42 H new ATOM 0 HD2 TYR A 23 13.030 -16.159 -0.570 1.00 32.02 H new ATOM 0 HE1 TYR A 23 13.547 -11.312 -1.228 1.00 24.40 H new ATOM 0 HE2 TYR A 23 14.771 -15.307 -2.076 1.00 64.00 H new ATOM 0 HH TYR A 23 15.734 -13.534 -2.972 1.00 13.24 H new ATOM 534 N TYR A 34 15.224 -7.367 2.985 1.00 22.25 N ATOM 535 CA TYR A 34 15.758 -6.579 1.881 1.00 41.33 C ATOM 536 C TYR A 34 14.685 -6.321 0.827 1.00 5.13 C ATOM 537 O TYR A 34 14.762 -6.799 -0.305 1.00 31.21 O ATOM 538 CB TYR A 34 16.951 -7.296 1.245 1.00 71.51 C ATOM 539 CG TYR A 34 17.912 -6.365 0.542 1.00 34.02 C ATOM 540 CD1 TYR A 34 17.672 -5.937 -0.758 1.00 65.24 C ATOM 541 CD2 TYR A 34 19.062 -5.911 1.178 1.00 73.31 C ATOM 542 CE1 TYR A 34 18.548 -5.087 -1.404 1.00 10.23 C ATOM 543 CE2 TYR A 34 19.943 -5.060 0.541 1.00 63.35 C ATOM 544 CZ TYR A 34 19.682 -4.651 -0.751 1.00 20.34 C ATOM 545 OH TYR A 34 20.557 -3.803 -1.390 1.00 50.54 O ATOM 0 HA TYR A 34 16.089 -5.620 2.279 1.00 41.33 H new ATOM 0 HB2 TYR A 34 17.489 -7.844 2.018 1.00 71.51 H new ATOM 0 HB3 TYR A 34 16.583 -8.032 0.530 1.00 71.51 H new ATOM 0 HD1 TYR A 34 16.785 -6.275 -1.272 1.00 65.24 H new ATOM 0 HD2 TYR A 34 19.270 -6.230 2.189 1.00 73.31 H new ATOM 0 HE1 TYR A 34 18.346 -4.765 -2.415 1.00 10.23 H new ATOM 0 HE2 TYR A 34 20.831 -4.716 1.051 1.00 63.35 H new ATOM 0 HH TYR A 34 20.889 -3.135 -0.754 1.00 50.54 H new ATOM 554 N PRO A 35 13.659 -5.545 1.206 1.00 30.23 N ATOM 555 CA PRO A 35 12.551 -5.204 0.310 1.00 34.41 C ATOM 556 C PRO A 35 12.979 -4.259 -0.807 1.00 0.33 C ATOM 557 O PRO A 35 14.170 -4.100 -1.077 1.00 52.21 O ATOM 558 CB PRO A 35 11.545 -4.516 1.236 1.00 51.21 C ATOM 559 CG PRO A 35 12.368 -3.972 2.353 1.00 44.34 C ATOM 560 CD PRO A 35 13.502 -4.941 2.540 1.00 11.23 C ATOM 0 HA PRO A 35 12.152 -6.082 -0.198 1.00 34.41 H new ATOM 0 HB2 PRO A 35 11.008 -3.722 0.717 1.00 51.21 H new ATOM 0 HB3 PRO A 35 10.798 -5.220 1.602 1.00 51.21 H new ATOM 0 HG2 PRO A 35 12.741 -2.976 2.114 1.00 44.34 H new ATOM 0 HG3 PRO A 35 11.778 -3.881 3.265 1.00 44.34 H new ATOM 0 HD2 PRO A 35 14.413 -4.436 2.862 1.00 11.23 H new ATOM 0 HD3 PRO A 35 13.269 -5.691 3.296 1.00 11.23 H new ATOM 565 N HIS A 36 12.001 -3.633 -1.455 1.00 2.13 N ATOM 566 CA HIS A 36 12.278 -2.702 -2.544 1.00 31.42 C ATOM 567 C HIS A 36 12.703 -3.451 -3.803 1.00 4.32 C ATOM 568 O HIS A 36 13.068 -2.839 -4.808 1.00 31.11 O ATOM 569 CB HIS A 36 13.367 -1.712 -2.131 1.00 4.33 C ATOM 570 CG HIS A 36 14.568 -1.737 -3.026 1.00 3.13 C ATOM 571 ND1 HIS A 36 14.830 -0.759 -3.961 1.00 3.34 N ATOM 572 CD2 HIS A 36 15.582 -2.630 -3.123 1.00 42.03 C ATOM 573 CE1 HIS A 36 15.952 -1.049 -4.597 1.00 73.31 C ATOM 574 NE2 HIS A 36 16.428 -2.180 -4.106 1.00 73.24 N ATOM 0 H HIS A 36 11.010 -3.753 -1.245 1.00 2.13 H new ATOM 0 HA HIS A 36 11.363 -2.152 -2.762 1.00 31.42 H new ATOM 0 HB2 HIS A 36 12.949 -0.705 -2.126 1.00 4.33 H new ATOM 0 HB3 HIS A 36 13.680 -1.933 -1.110 1.00 4.33 H new ATOM 0 HD2 HIS A 36 15.702 -3.529 -2.536 1.00 42.03 H new ATOM 0 HE1 HIS A 36 16.403 -0.462 -5.384 1.00 73.31 H new ATOM 0 HE2 HIS A 36 17.285 -2.643 -4.408 1.00 73.24 H new ATOM 581 N LEU A 37 12.654 -4.777 -3.742 1.00 23.24 N ATOM 582 CA LEU A 37 13.035 -5.609 -4.879 1.00 34.54 C ATOM 583 C LEU A 37 12.245 -5.224 -6.125 1.00 13.34 C ATOM 584 O LEU A 37 12.744 -5.328 -7.244 1.00 4.21 O ATOM 585 CB LEU A 37 12.807 -7.087 -4.552 1.00 42.45 C ATOM 586 CG LEU A 37 13.688 -7.674 -3.449 1.00 63.00 C ATOM 587 CD1 LEU A 37 14.880 -6.770 -3.179 1.00 23.30 C ATOM 588 CD2 LEU A 37 12.878 -7.888 -2.178 1.00 21.24 C ATOM 0 H LEU A 37 12.355 -5.299 -2.919 1.00 23.24 H new ATOM 0 HA LEU A 37 14.094 -5.446 -5.079 1.00 34.54 H new ATOM 0 HB2 LEU A 37 11.764 -7.218 -4.264 1.00 42.45 H new ATOM 0 HB3 LEU A 37 12.962 -7.668 -5.461 1.00 42.45 H new ATOM 0 HG LEU A 37 14.062 -8.641 -3.785 1.00 63.00 H new ATOM 0 HD11 LEU A 37 15.495 -7.205 -2.391 1.00 23.30 H new ATOM 0 HD12 LEU A 37 15.473 -6.669 -4.088 1.00 23.30 H new ATOM 0 HD13 LEU A 37 14.528 -5.788 -2.864 1.00 23.30 H new ATOM 0 HD21 LEU A 37 13.520 -8.306 -1.403 1.00 21.24 H new ATOM 0 HD22 LEU A 37 12.474 -6.934 -1.839 1.00 21.24 H new ATOM 0 HD23 LEU A 37 12.058 -8.577 -2.381 1.00 21.24 H new ATOM 599 N GLY A 38 11.011 -4.775 -5.922 1.00 33.00 N ATOM 600 CA GLY A 38 10.173 -4.378 -7.038 1.00 24.02 C ATOM 601 C GLY A 38 10.751 -3.210 -7.812 1.00 35.11 C ATOM 602 O GLY A 38 10.273 -2.876 -8.895 1.00 3.32 O ATOM 0 H GLY A 38 10.576 -4.679 -5.004 1.00 33.00 H new ATOM 0 HA2 GLY A 38 10.043 -5.226 -7.710 1.00 24.02 H new ATOM 0 HA3 GLY A 38 9.183 -4.110 -6.668 1.00 24.02 H new ATOM 606 N ARG A 39 11.783 -2.585 -7.251 1.00 44.23 N ATOM 607 CA ARG A 39 12.425 -1.445 -7.894 1.00 40.53 C ATOM 608 C ARG A 39 12.603 -1.693 -9.390 1.00 12.02 C ATOM 609 O ARG A 39 12.727 -2.836 -9.830 1.00 3.35 O ATOM 610 CB ARG A 39 13.783 -1.167 -7.247 1.00 1.43 C ATOM 611 CG ARG A 39 14.828 -2.231 -7.543 1.00 33.00 C ATOM 612 CD ARG A 39 16.214 -1.624 -7.696 1.00 44.52 C ATOM 613 NE ARG A 39 16.828 -1.980 -8.973 1.00 71.00 N ATOM 614 CZ ARG A 39 18.059 -1.621 -9.320 1.00 41.22 C ATOM 615 NH1 ARG A 39 18.803 -0.901 -8.492 1.00 61.34 N ATOM 616 NH2 ARG A 39 18.548 -1.984 -10.500 1.00 35.35 N ATOM 0 H ARG A 39 12.191 -2.849 -6.354 1.00 44.23 H new ATOM 0 HA ARG A 39 11.782 -0.575 -7.762 1.00 40.53 H new ATOM 0 HB2 ARG A 39 14.151 -0.202 -7.595 1.00 1.43 H new ATOM 0 HB3 ARG A 39 13.652 -1.088 -6.168 1.00 1.43 H new ATOM 0 HG2 ARG A 39 14.838 -2.966 -6.738 1.00 33.00 H new ATOM 0 HG3 ARG A 39 14.559 -2.762 -8.456 1.00 33.00 H new ATOM 0 HD2 ARG A 39 16.146 -0.539 -7.616 1.00 44.52 H new ATOM 0 HD3 ARG A 39 16.851 -1.964 -6.880 1.00 44.52 H new ATOM 0 HE ARG A 39 16.282 -2.534 -9.633 1.00 71.00 H new ATOM 0 HH11 ARG A 39 18.431 -0.621 -7.585 1.00 61.34 H new ATOM 0 HH12 ARG A 39 19.748 -0.627 -8.762 1.00 61.34 H new ATOM 0 HH21 ARG A 39 17.978 -2.538 -11.139 1.00 35.35 H new ATOM 0 HH22 ARG A 39 19.493 -1.709 -10.767 1.00 35.35 H new ATOM 627 N LEU A 40 12.614 -0.615 -10.166 1.00 75.14 N ATOM 628 CA LEU A 40 12.775 -0.713 -11.612 1.00 24.35 C ATOM 629 C LEU A 40 14.203 -1.109 -11.974 1.00 30.04 C ATOM 630 O LEU A 40 15.135 -0.883 -11.201 1.00 4.14 O ATOM 631 CB LEU A 40 12.417 0.616 -12.278 1.00 13.21 C ATOM 632 CG LEU A 40 12.526 0.653 -13.803 1.00 75.23 C ATOM 633 CD1 LEU A 40 11.599 -0.376 -14.429 1.00 25.43 C ATOM 634 CD2 LEU A 40 12.208 2.047 -14.325 1.00 62.13 C ATOM 0 H LEU A 40 12.513 0.338 -9.817 1.00 75.14 H new ATOM 0 HA LEU A 40 12.099 -1.486 -11.976 1.00 24.35 H new ATOM 0 HB2 LEU A 40 11.395 0.875 -12.000 1.00 13.21 H new ATOM 0 HB3 LEU A 40 13.065 1.391 -11.868 1.00 13.21 H new ATOM 0 HG LEU A 40 13.550 0.406 -14.082 1.00 75.23 H new ATOM 0 HD11 LEU A 40 11.690 -0.335 -15.514 1.00 25.43 H new ATOM 0 HD12 LEU A 40 11.872 -1.372 -14.079 1.00 25.43 H new ATOM 0 HD13 LEU A 40 10.570 -0.160 -14.143 1.00 25.43 H new ATOM 0 HD21 LEU A 40 12.290 2.056 -15.412 1.00 62.13 H new ATOM 0 HD22 LEU A 40 11.194 2.321 -14.035 1.00 62.13 H new ATOM 0 HD23 LEU A 40 12.912 2.763 -13.902 1.00 62.13 H new ATOM 645 N ASP A 41 14.368 -1.697 -13.154 1.00 22.44 N ATOM 646 CA ASP A 41 15.683 -2.121 -13.620 1.00 22.15 C ATOM 647 C ASP A 41 16.243 -3.230 -12.734 1.00 31.03 C ATOM 648 O ASP A 41 17.456 -3.406 -12.636 1.00 34.12 O ATOM 649 CB ASP A 41 16.648 -0.934 -13.641 1.00 70.35 C ATOM 650 CG ASP A 41 17.894 -1.215 -14.456 1.00 53.40 C ATOM 651 OD1 ASP A 41 17.763 -1.471 -15.672 1.00 72.41 O ATOM 652 OD2 ASP A 41 19.001 -1.180 -13.879 1.00 23.41 O ATOM 0 H ASP A 41 13.607 -1.891 -13.805 1.00 22.44 H new ATOM 0 HA ASP A 41 15.573 -2.509 -14.633 1.00 22.15 H new ATOM 0 HB2 ASP A 41 16.138 -0.062 -14.051 1.00 70.35 H new ATOM 0 HB3 ASP A 41 16.934 -0.684 -12.619 1.00 70.35 H new ATOM 656 N ASN A 42 15.349 -3.975 -12.092 1.00 70.21 N ATOM 657 CA ASN A 42 15.753 -5.066 -11.212 1.00 1.44 C ATOM 658 C ASN A 42 16.799 -5.949 -11.887 1.00 41.24 C ATOM 659 O ASN A 42 16.593 -6.430 -13.001 1.00 62.41 O ATOM 660 CB ASN A 42 14.539 -5.907 -10.816 1.00 64.24 C ATOM 661 CG ASN A 42 13.484 -5.948 -11.905 1.00 41.02 C ATOM 662 OD1 ASN A 42 12.324 -5.603 -11.675 1.00 34.42 O ATOM 663 ND2 ASN A 42 13.881 -6.371 -13.099 1.00 15.53 N ATOM 0 H ASN A 42 14.340 -3.843 -12.165 1.00 70.21 H new ATOM 0 HA ASN A 42 16.193 -4.632 -10.314 1.00 1.44 H new ATOM 0 HB2 ASN A 42 14.863 -6.923 -10.589 1.00 64.24 H new ATOM 0 HB3 ASN A 42 14.101 -5.501 -9.904 1.00 64.24 H new ATOM 0 HD21 ASN A 42 13.215 -6.420 -13.870 1.00 15.53 H new ATOM 0 HD22 ASN A 42 14.852 -6.647 -13.245 1.00 15.53 H new ATOM 669 N GLN A 43 17.920 -6.158 -11.204 1.00 55.11 N ATOM 670 CA GLN A 43 18.998 -6.983 -11.738 1.00 63.14 C ATOM 671 C GLN A 43 19.013 -8.355 -11.073 1.00 33.22 C ATOM 672 O GLN A 43 19.433 -9.342 -11.673 1.00 11.24 O ATOM 673 CB GLN A 43 20.346 -6.290 -11.537 1.00 14.31 C ATOM 674 CG GLN A 43 20.524 -5.695 -10.150 1.00 21.41 C ATOM 675 CD GLN A 43 21.970 -5.359 -9.840 1.00 63.34 C ATOM 676 OE1 GLN A 43 22.876 -5.702 -10.600 1.00 42.04 O ATOM 677 NE2 GLN A 43 22.193 -4.685 -8.718 1.00 32.31 N ATOM 0 H GLN A 43 18.106 -5.768 -10.280 1.00 55.11 H new ATOM 0 HA GLN A 43 18.824 -7.119 -12.805 1.00 63.14 H new ATOM 0 HB2 GLN A 43 21.145 -7.008 -11.720 1.00 14.31 H new ATOM 0 HB3 GLN A 43 20.452 -5.499 -12.279 1.00 14.31 H new ATOM 0 HG2 GLN A 43 19.919 -4.792 -10.066 1.00 21.41 H new ATOM 0 HG3 GLN A 43 20.151 -6.399 -9.406 1.00 21.41 H new ATOM 0 HE21 GLN A 43 21.412 -4.421 -8.118 1.00 32.31 H new ATOM 0 HE22 GLN A 43 23.146 -4.431 -8.456 1.00 32.31 H new ATOM 684 N GLY A 44 18.552 -8.408 -9.827 1.00 63.45 N ATOM 685 CA GLY A 44 18.521 -9.664 -9.100 1.00 23.04 C ATOM 686 C GLY A 44 17.716 -10.729 -9.815 1.00 41.15 C ATOM 687 O GLY A 44 18.218 -11.398 -10.718 1.00 0.45 O ATOM 0 H GLY A 44 18.199 -7.604 -9.308 1.00 63.45 H new ATOM 0 HA2 GLY A 44 19.541 -10.021 -8.954 1.00 23.04 H new ATOM 0 HA3 GLY A 44 18.097 -9.496 -8.110 1.00 23.04 H new ATOM 691 N LYS A 45 16.459 -10.889 -9.412 1.00 32.44 N ATOM 692 CA LYS A 45 15.581 -11.881 -10.020 1.00 61.21 C ATOM 693 C LYS A 45 14.192 -11.836 -9.391 1.00 32.11 C ATOM 694 O LYS A 45 13.192 -12.116 -10.052 1.00 72.05 O ATOM 695 CB LYS A 45 16.176 -13.283 -9.867 1.00 13.03 C ATOM 696 CG LYS A 45 16.295 -13.739 -8.423 1.00 65.04 C ATOM 697 CD LYS A 45 17.409 -13.005 -7.696 1.00 14.10 C ATOM 698 CE LYS A 45 18.037 -13.872 -6.615 1.00 64.22 C ATOM 699 NZ LYS A 45 19.148 -14.706 -7.150 1.00 22.34 N ATOM 0 H LYS A 45 16.026 -10.344 -8.667 1.00 32.44 H new ATOM 0 HA LYS A 45 15.489 -11.646 -11.080 1.00 61.21 H new ATOM 0 HB2 LYS A 45 15.556 -13.993 -10.414 1.00 13.03 H new ATOM 0 HB3 LYS A 45 17.164 -13.302 -10.328 1.00 13.03 H new ATOM 0 HG2 LYS A 45 15.350 -13.569 -7.908 1.00 65.04 H new ATOM 0 HG3 LYS A 45 16.486 -14.812 -8.394 1.00 65.04 H new ATOM 0 HD2 LYS A 45 18.174 -12.703 -8.411 1.00 14.10 H new ATOM 0 HD3 LYS A 45 17.013 -12.093 -7.248 1.00 14.10 H new ATOM 0 HE2 LYS A 45 18.413 -13.237 -5.813 1.00 64.22 H new ATOM 0 HE3 LYS A 45 17.275 -14.518 -6.179 1.00 64.22 H new ATOM 0 HZ1 LYS A 45 19.550 -15.282 -6.383 1.00 22.34 H new ATOM 0 HZ2 LYS A 45 18.784 -15.330 -7.898 1.00 22.34 H new ATOM 0 HZ3 LYS A 45 19.887 -14.089 -7.543 1.00 22.34 H new ATOM 709 N ILE A 46 14.139 -11.482 -8.111 1.00 60.24 N ATOM 710 CA ILE A 46 12.872 -11.398 -7.394 1.00 24.24 C ATOM 711 C ILE A 46 12.001 -10.276 -7.948 1.00 34.11 C ATOM 712 O ILE A 46 10.795 -10.441 -8.121 1.00 63.14 O ATOM 713 CB ILE A 46 13.092 -11.168 -5.887 1.00 51.54 C ATOM 714 CG1 ILE A 46 14.214 -12.070 -5.370 1.00 70.42 C ATOM 715 CG2 ILE A 46 11.804 -11.421 -5.119 1.00 74.35 C ATOM 716 CD1 ILE A 46 15.513 -11.336 -5.123 1.00 33.25 C ATOM 0 H ILE A 46 14.958 -11.249 -7.550 1.00 60.24 H new ATOM 0 HA ILE A 46 12.364 -12.352 -7.536 1.00 24.24 H new ATOM 0 HB ILE A 46 13.386 -10.130 -5.732 1.00 51.54 H new ATOM 0 HG12 ILE A 46 13.891 -12.543 -4.442 1.00 70.42 H new ATOM 0 HG13 ILE A 46 14.389 -12.869 -6.091 1.00 70.42 H new ATOM 0 HG21 ILE A 46 11.976 -11.254 -4.056 1.00 74.35 H new ATOM 0 HG22 ILE A 46 11.030 -10.740 -5.473 1.00 74.35 H new ATOM 0 HG23 ILE A 46 11.482 -12.450 -5.278 1.00 74.35 H new ATOM 0 HD11 ILE A 46 16.263 -12.037 -4.758 1.00 33.25 H new ATOM 0 HD12 ILE A 46 15.859 -10.886 -6.053 1.00 33.25 H new ATOM 0 HD13 ILE A 46 15.354 -10.555 -4.379 1.00 33.25 H new ATOM 727 N ASN A 47 12.622 -9.133 -8.224 1.00 44.31 N ATOM 728 CA ASN A 47 11.903 -7.983 -8.759 1.00 11.01 C ATOM 729 C ASN A 47 10.559 -7.807 -8.059 1.00 41.22 C ATOM 730 O ASN A 47 9.562 -7.456 -8.688 1.00 75.24 O ATOM 731 CB ASN A 47 11.688 -8.145 -10.265 1.00 2.43 C ATOM 732 CG ASN A 47 10.884 -9.384 -10.605 1.00 65.44 C ATOM 733 OD1 ASN A 47 11.519 -10.338 -11.276 1.00 4.32 O flip ATOM 734 ND2 ASN A 47 9.704 -9.484 -10.266 1.00 52.24 N flip ATOM 0 H ASN A 47 13.621 -8.979 -8.086 1.00 44.31 H new ATOM 0 HA ASN A 47 12.506 -7.093 -8.578 1.00 11.01 H new ATOM 0 HB2 ASN A 47 11.175 -7.265 -10.653 1.00 2.43 H new ATOM 0 HB3 ASN A 47 12.656 -8.195 -10.764 1.00 2.43 H new ATOM 0 HD21 ASN A 47 9.255 -8.726 -9.751 1.00 52.24 H new ATOM 0 HD22 ASN A 47 9.176 -10.325 -10.500 1.00 52.24 H new ATOM 740 N ALA A 48 10.542 -8.053 -6.753 1.00 25.10 N ATOM 741 CA ALA A 48 9.322 -7.919 -5.966 1.00 11.14 C ATOM 742 C ALA A 48 9.559 -8.320 -4.514 1.00 43.45 C ATOM 743 O ALA A 48 10.237 -9.309 -4.237 1.00 74.31 O ATOM 744 CB ALA A 48 8.208 -8.760 -6.573 1.00 53.43 C ATOM 0 H ALA A 48 11.359 -8.346 -6.218 1.00 25.10 H new ATOM 0 HA ALA A 48 9.021 -6.871 -5.982 1.00 11.14 H new ATOM 0 HB1 ALA A 48 7.303 -8.651 -5.976 1.00 53.43 H new ATOM 0 HB2 ALA A 48 8.013 -8.425 -7.592 1.00 53.43 H new ATOM 0 HB3 ALA A 48 8.509 -9.807 -6.587 1.00 53.43 H new ATOM 750 N TRP A 49 8.997 -7.546 -3.593 1.00 24.31 N ATOM 751 CA TRP A 49 9.148 -7.821 -2.168 1.00 42.41 C ATOM 752 C TRP A 49 8.274 -8.996 -1.745 1.00 24.10 C ATOM 753 O TRP A 49 7.067 -9.007 -1.992 1.00 53.12 O ATOM 754 CB TRP A 49 8.789 -6.581 -1.348 1.00 23.20 C ATOM 755 CG TRP A 49 8.318 -6.902 0.039 1.00 4.54 C ATOM 756 CD1 TRP A 49 9.097 -7.113 1.140 1.00 4.14 C ATOM 757 CD2 TRP A 49 6.961 -7.050 0.469 1.00 74.53 C ATOM 758 NE1 TRP A 49 8.305 -7.384 2.230 1.00 35.31 N ATOM 759 CE2 TRP A 49 6.991 -7.349 1.846 1.00 12.44 C ATOM 760 CE3 TRP A 49 5.723 -6.955 -0.172 1.00 24.34 C ATOM 761 CZ2 TRP A 49 5.831 -7.556 2.587 1.00 32.44 C ATOM 762 CZ3 TRP A 49 4.573 -7.162 0.566 1.00 54.42 C ATOM 763 CH2 TRP A 49 4.634 -7.458 1.935 1.00 44.43 C ATOM 0 H TRP A 49 8.433 -6.723 -3.807 1.00 24.31 H new ATOM 0 HA TRP A 49 10.190 -8.082 -1.982 1.00 42.41 H new ATOM 0 HB2 TRP A 49 9.661 -5.930 -1.286 1.00 23.20 H new ATOM 0 HB3 TRP A 49 8.011 -6.023 -1.868 1.00 23.20 H new ATOM 0 HD1 TRP A 49 10.176 -7.073 1.153 1.00 4.14 H new ATOM 0 HE1 TRP A 49 8.642 -7.580 3.173 1.00 35.31 H new ATOM 0 HE3 TRP A 49 5.666 -6.724 -1.225 1.00 24.34 H new ATOM 0 HZ2 TRP A 49 5.875 -7.786 3.641 1.00 32.44 H new ATOM 0 HZ3 TRP A 49 3.611 -7.095 0.080 1.00 54.42 H new ATOM 0 HH2 TRP A 49 3.717 -7.612 2.485 1.00 44.43 H new ATOM 773 N THR A 50 8.889 -9.987 -1.106 1.00 41.50 N ATOM 774 CA THR A 50 8.166 -11.168 -0.650 1.00 14.21 C ATOM 775 C THR A 50 8.095 -11.213 0.872 1.00 23.54 C ATOM 776 O THR A 50 8.815 -10.490 1.559 1.00 75.31 O ATOM 777 CB THR A 50 8.826 -12.462 -1.161 1.00 45.34 C ATOM 778 OG1 THR A 50 9.478 -12.218 -2.412 1.00 44.31 O ATOM 779 CG2 THR A 50 7.793 -13.566 -1.328 1.00 43.14 C ATOM 0 H THR A 50 9.886 -9.995 -0.893 1.00 41.50 H new ATOM 0 HA THR A 50 7.157 -11.099 -1.057 1.00 14.21 H new ATOM 0 HB THR A 50 9.563 -12.784 -0.425 1.00 45.34 H new ATOM 0 HG1 THR A 50 9.897 -13.045 -2.729 1.00 44.31 H new ATOM 0 HG21 THR A 50 8.282 -14.470 -1.690 1.00 43.14 H new ATOM 0 HG22 THR A 50 7.319 -13.769 -0.368 1.00 43.14 H new ATOM 0 HG23 THR A 50 7.036 -13.251 -2.046 1.00 43.14 H new ATOM 787 N ALA A 51 7.224 -12.071 1.393 1.00 71.34 N ATOM 788 CA ALA A 51 7.061 -12.213 2.835 1.00 22.34 C ATOM 789 C ALA A 51 8.014 -13.264 3.393 1.00 24.42 C ATOM 790 O ALA A 51 8.609 -14.037 2.643 1.00 41.41 O ATOM 791 CB ALA A 51 5.621 -12.572 3.171 1.00 44.45 C ATOM 0 H ALA A 51 6.621 -12.678 0.838 1.00 71.34 H new ATOM 0 HA ALA A 51 7.303 -11.257 3.299 1.00 22.34 H new ATOM 0 HB1 ALA A 51 5.514 -12.675 4.251 1.00 44.45 H new ATOM 0 HB2 ALA A 51 4.957 -11.785 2.814 1.00 44.45 H new ATOM 0 HB3 ALA A 51 5.359 -13.514 2.689 1.00 44.45 H new ATOM 797 N GLN A 52 8.154 -13.288 4.715 1.00 64.13 N ATOM 798 CA GLN A 52 9.036 -14.244 5.373 1.00 62.00 C ATOM 799 C GLN A 52 8.251 -15.449 5.880 1.00 22.43 C ATOM 800 O GLN A 52 8.554 -16.591 5.534 1.00 14.24 O ATOM 801 CB GLN A 52 9.773 -13.575 6.534 1.00 50.04 C ATOM 802 CG GLN A 52 10.863 -14.442 7.143 1.00 12.53 C ATOM 803 CD GLN A 52 10.676 -14.656 8.631 1.00 4.14 C ATOM 804 OE1 GLN A 52 10.441 -13.710 9.382 1.00 34.30 O ATOM 805 NE2 GLN A 52 10.780 -15.906 9.067 1.00 25.32 N ATOM 0 H GLN A 52 7.668 -12.656 5.351 1.00 64.13 H new ATOM 0 HA GLN A 52 9.765 -14.591 4.641 1.00 62.00 H new ATOM 0 HB2 GLN A 52 10.215 -12.643 6.183 1.00 50.04 H new ATOM 0 HB3 GLN A 52 9.052 -13.314 7.309 1.00 50.04 H new ATOM 0 HG2 GLN A 52 10.876 -15.409 6.640 1.00 12.53 H new ATOM 0 HG3 GLN A 52 11.833 -13.977 6.966 1.00 12.53 H new ATOM 0 HE21 GLN A 52 10.976 -16.661 8.410 1.00 25.32 H new ATOM 0 HE22 GLN A 52 10.664 -16.111 10.059 1.00 25.32 H new ATOM 812 N SER A 53 7.240 -15.187 6.703 1.00 24.51 N ATOM 813 CA SER A 53 6.413 -16.251 7.262 1.00 12.24 C ATOM 814 C SER A 53 5.174 -16.483 6.404 1.00 32.12 C ATOM 815 O SER A 53 4.354 -17.351 6.700 1.00 23.15 O ATOM 816 CB SER A 53 5.999 -15.905 8.694 1.00 4.32 C ATOM 817 OG SER A 53 6.926 -16.424 9.633 1.00 44.33 O ATOM 0 H SER A 53 6.974 -14.247 6.997 1.00 24.51 H new ATOM 0 HA SER A 53 7.002 -17.168 7.273 1.00 12.24 H new ATOM 0 HB2 SER A 53 5.932 -14.823 8.805 1.00 4.32 H new ATOM 0 HB3 SER A 53 5.007 -16.309 8.897 1.00 4.32 H new ATOM 0 HG SER A 53 6.640 -16.188 10.540 1.00 44.33 H new ATOM 822 N ASN A 54 5.044 -15.700 5.339 1.00 44.22 N ATOM 823 CA ASN A 54 3.904 -15.818 4.436 1.00 23.22 C ATOM 824 C ASN A 54 2.616 -16.058 5.216 1.00 34.42 C ATOM 825 O ASN A 54 1.975 -17.100 5.072 1.00 73.22 O ATOM 826 CB ASN A 54 4.131 -16.959 3.442 1.00 23.02 C ATOM 827 CG ASN A 54 4.456 -18.271 4.131 1.00 13.41 C ATOM 828 OD1 ASN A 54 3.562 -19.051 4.458 1.00 40.31 O ATOM 829 ND2 ASN A 54 5.741 -18.519 4.355 1.00 54.34 N ATOM 0 H ASN A 54 5.714 -14.976 5.079 1.00 44.22 H new ATOM 0 HA ASN A 54 3.807 -14.881 3.888 1.00 23.22 H new ATOM 0 HB2 ASN A 54 3.239 -17.085 2.828 1.00 23.02 H new ATOM 0 HB3 ASN A 54 4.946 -16.694 2.769 1.00 23.02 H new ATOM 0 HD21 ASN A 54 6.021 -19.385 4.815 1.00 54.34 H new ATOM 0 HD22 ASN A 54 6.449 -17.843 4.067 1.00 54.34 H new ATOM 835 N SER A 55 2.242 -15.087 6.044 1.00 43.41 N ATOM 836 CA SER A 55 1.031 -15.194 6.850 1.00 42.34 C ATOM 837 C SER A 55 0.158 -13.953 6.685 1.00 1.04 C ATOM 838 O SER A 55 0.407 -13.116 5.818 1.00 53.32 O ATOM 839 CB SER A 55 1.391 -15.387 8.324 1.00 52.24 C ATOM 840 OG SER A 55 0.524 -16.321 8.943 1.00 4.01 O ATOM 0 H SER A 55 2.760 -14.218 6.174 1.00 43.41 H new ATOM 0 HA SER A 55 0.468 -16.061 6.504 1.00 42.34 H new ATOM 0 HB2 SER A 55 2.422 -15.732 8.408 1.00 52.24 H new ATOM 0 HB3 SER A 55 1.332 -14.431 8.844 1.00 52.24 H new ATOM 0 HG SER A 55 0.776 -16.428 9.884 1.00 4.01 H new ATOM 845 N ALA A 56 -0.866 -13.843 7.524 1.00 30.21 N ATOM 846 CA ALA A 56 -1.775 -12.704 7.474 1.00 24.32 C ATOM 847 C ALA A 56 -1.477 -11.713 8.595 1.00 5.11 C ATOM 848 O ALA A 56 -2.318 -10.886 8.946 1.00 62.31 O ATOM 849 CB ALA A 56 -3.219 -13.179 7.557 1.00 51.42 C ATOM 0 H ALA A 56 -1.087 -14.528 8.246 1.00 30.21 H new ATOM 0 HA ALA A 56 -1.625 -12.192 6.523 1.00 24.32 H new ATOM 0 HB1 ALA A 56 -3.888 -12.319 7.519 1.00 51.42 H new ATOM 0 HB2 ALA A 56 -3.433 -13.842 6.719 1.00 51.42 H new ATOM 0 HB3 ALA A 56 -3.372 -13.716 8.493 1.00 51.42 H new ATOM 855 N LYS A 57 -0.275 -11.804 9.153 1.00 2.51 N ATOM 856 CA LYS A 57 0.135 -10.915 10.233 1.00 12.25 C ATOM 857 C LYS A 57 1.304 -10.036 9.801 1.00 52.34 C ATOM 858 O LYS A 57 1.844 -9.269 10.598 1.00 4.41 O ATOM 859 CB LYS A 57 0.526 -11.728 11.470 1.00 41.22 C ATOM 860 CG LYS A 57 1.751 -12.602 11.261 1.00 71.12 C ATOM 861 CD LYS A 57 1.558 -13.987 11.856 1.00 75.45 C ATOM 862 CE LYS A 57 2.874 -14.573 12.343 1.00 60.35 C ATOM 863 NZ LYS A 57 3.018 -14.462 13.821 1.00 72.22 N ATOM 0 H LYS A 57 0.432 -12.484 8.875 1.00 2.51 H new ATOM 0 HA LYS A 57 -0.709 -10.271 10.480 1.00 12.25 H new ATOM 0 HB2 LYS A 57 0.714 -11.045 12.299 1.00 41.22 H new ATOM 0 HB3 LYS A 57 -0.314 -12.358 11.761 1.00 41.22 H new ATOM 0 HG2 LYS A 57 1.959 -12.689 10.195 1.00 71.12 H new ATOM 0 HG3 LYS A 57 2.620 -12.127 11.717 1.00 71.12 H new ATOM 0 HD2 LYS A 57 0.854 -13.933 12.686 1.00 75.45 H new ATOM 0 HD3 LYS A 57 1.119 -14.647 11.108 1.00 75.45 H new ATOM 0 HE2 LYS A 57 2.935 -15.621 12.050 1.00 60.35 H new ATOM 0 HE3 LYS A 57 3.703 -14.057 11.858 1.00 60.35 H new ATOM 0 HZ1 LYS A 57 3.928 -14.873 14.113 1.00 72.22 H new ATOM 0 HZ2 LYS A 57 2.985 -13.460 14.099 1.00 72.22 H new ATOM 0 HZ3 LYS A 57 2.242 -14.975 14.285 1.00 72.22 H new ATOM 873 N GLU A 58 1.689 -10.151 8.533 1.00 65.24 N ATOM 874 CA GLU A 58 2.793 -9.366 7.995 1.00 74.32 C ATOM 875 C GLU A 58 2.303 -8.011 7.493 1.00 61.12 C ATOM 876 O GLU A 58 1.116 -7.831 7.221 1.00 44.04 O ATOM 877 CB GLU A 58 3.483 -10.125 6.860 1.00 74.22 C ATOM 878 CG GLU A 58 2.678 -10.155 5.571 1.00 20.44 C ATOM 879 CD GLU A 58 3.238 -9.227 4.512 1.00 55.13 C ATOM 880 OE1 GLU A 58 3.026 -8.001 4.624 1.00 62.14 O ATOM 881 OE2 GLU A 58 3.888 -9.725 3.570 1.00 42.10 O ATOM 0 H GLU A 58 1.252 -10.781 7.860 1.00 65.24 H new ATOM 0 HA GLU A 58 3.511 -9.198 8.798 1.00 74.32 H new ATOM 0 HB2 GLU A 58 4.452 -9.666 6.663 1.00 74.22 H new ATOM 0 HB3 GLU A 58 3.675 -11.148 7.183 1.00 74.22 H new ATOM 0 HG2 GLU A 58 2.659 -11.173 5.183 1.00 20.44 H new ATOM 0 HG3 GLU A 58 1.646 -9.876 5.785 1.00 20.44 H new ATOM 886 N TRP A 59 3.224 -7.063 7.372 1.00 51.11 N ATOM 887 CA TRP A 59 2.886 -5.724 6.902 1.00 31.33 C ATOM 888 C TRP A 59 4.115 -5.018 6.340 1.00 42.32 C ATOM 889 O TRP A 59 5.206 -5.103 6.905 1.00 24.22 O ATOM 890 CB TRP A 59 2.286 -4.898 8.042 1.00 3.22 C ATOM 891 CG TRP A 59 3.051 -5.012 9.325 1.00 31.23 C ATOM 892 CD1 TRP A 59 4.296 -4.513 9.585 1.00 43.24 C ATOM 893 CD2 TRP A 59 2.622 -5.669 10.524 1.00 54.15 C ATOM 894 NE1 TRP A 59 4.666 -4.820 10.872 1.00 34.52 N ATOM 895 CE2 TRP A 59 3.656 -5.527 11.469 1.00 54.10 C ATOM 896 CE3 TRP A 59 1.464 -6.359 10.890 1.00 62.53 C ATOM 897 CZ2 TRP A 59 3.565 -6.053 12.756 1.00 51.51 C ATOM 898 CZ3 TRP A 59 1.375 -6.881 12.167 1.00 52.11 C ATOM 899 CH2 TRP A 59 2.420 -6.725 13.087 1.00 74.33 C ATOM 0 H TRP A 59 4.211 -7.196 7.593 1.00 51.11 H new ATOM 0 HA TRP A 59 2.149 -5.821 6.105 1.00 31.33 H new ATOM 0 HB2 TRP A 59 2.249 -3.851 7.742 1.00 3.22 H new ATOM 0 HB3 TRP A 59 1.258 -5.218 8.211 1.00 3.22 H new ATOM 0 HD1 TRP A 59 4.900 -3.959 8.882 1.00 43.24 H new ATOM 0 HE1 TRP A 59 5.550 -4.563 11.312 1.00 34.52 H new ATOM 0 HE3 TRP A 59 0.653 -6.482 10.188 1.00 62.53 H new ATOM 0 HZ2 TRP A 59 4.369 -5.935 13.467 1.00 51.51 H new ATOM 0 HZ3 TRP A 59 0.485 -7.418 12.460 1.00 52.11 H new ATOM 0 HH2 TRP A 59 2.320 -7.144 14.078 1.00 74.33 H new ATOM 909 N LEU A 60 3.932 -4.321 5.225 1.00 14.21 N ATOM 910 CA LEU A 60 5.027 -3.599 4.585 1.00 53.32 C ATOM 911 C LEU A 60 4.767 -2.095 4.593 1.00 32.44 C ATOM 912 O LEU A 60 3.729 -1.634 4.120 1.00 43.24 O ATOM 913 CB LEU A 60 5.216 -4.087 3.148 1.00 50.03 C ATOM 914 CG LEU A 60 6.024 -3.171 2.228 1.00 61.23 C ATOM 915 CD1 LEU A 60 7.453 -3.037 2.730 1.00 64.23 C ATOM 916 CD2 LEU A 60 6.006 -3.698 0.800 1.00 61.41 C ATOM 0 H LEU A 60 3.036 -4.240 4.745 1.00 14.21 H new ATOM 0 HA LEU A 60 5.937 -3.795 5.151 1.00 53.32 H new ATOM 0 HB2 LEU A 60 5.704 -5.061 3.178 1.00 50.03 H new ATOM 0 HB3 LEU A 60 4.232 -4.237 2.704 1.00 50.03 H new ATOM 0 HG LEU A 60 5.563 -2.183 2.235 1.00 61.23 H new ATOM 0 HD11 LEU A 60 8.013 -2.382 2.063 1.00 64.23 H new ATOM 0 HD12 LEU A 60 7.448 -2.614 3.734 1.00 64.23 H new ATOM 0 HD13 LEU A 60 7.924 -4.020 2.753 1.00 64.23 H new ATOM 0 HD21 LEU A 60 6.586 -3.033 0.160 1.00 61.41 H new ATOM 0 HD22 LEU A 60 6.441 -4.697 0.775 1.00 61.41 H new ATOM 0 HD23 LEU A 60 4.978 -3.741 0.441 1.00 61.41 H new ATOM 927 N GLN A 61 5.717 -1.339 5.133 1.00 13.00 N ATOM 928 CA GLN A 61 5.590 0.112 5.200 1.00 70.21 C ATOM 929 C GLN A 61 6.751 0.794 4.485 1.00 13.41 C ATOM 930 O GLN A 61 7.886 0.319 4.528 1.00 14.34 O ATOM 931 CB GLN A 61 5.532 0.573 6.658 1.00 13.14 C ATOM 932 CG GLN A 61 6.889 0.596 7.343 1.00 5.22 C ATOM 933 CD GLN A 61 6.837 0.064 8.761 1.00 1.02 C ATOM 934 OE1 GLN A 61 6.524 0.796 9.700 1.00 60.40 O ATOM 935 NE2 GLN A 61 7.143 -1.218 8.924 1.00 34.01 N ATOM 0 H GLN A 61 6.582 -1.706 5.530 1.00 13.00 H new ATOM 0 HA GLN A 61 4.664 0.394 4.700 1.00 70.21 H new ATOM 0 HB2 GLN A 61 5.097 1.572 6.698 1.00 13.14 H new ATOM 0 HB3 GLN A 61 4.865 -0.087 7.213 1.00 13.14 H new ATOM 0 HG2 GLN A 61 7.595 0.002 6.762 1.00 5.22 H new ATOM 0 HG3 GLN A 61 7.268 1.618 7.356 1.00 5.22 H new ATOM 0 HE21 GLN A 61 7.397 -1.788 8.117 1.00 34.01 H new ATOM 0 HE22 GLN A 61 7.124 -1.632 9.856 1.00 34.01 H new ATOM 942 N VAL A 62 6.460 1.911 3.826 1.00 54.55 N ATOM 943 CA VAL A 62 7.480 2.660 3.102 1.00 4.25 C ATOM 944 C VAL A 62 7.699 4.034 3.723 1.00 15.41 C ATOM 945 O VAL A 62 6.751 4.792 3.929 1.00 22.41 O ATOM 946 CB VAL A 62 7.102 2.833 1.618 1.00 74.30 C ATOM 947 CG1 VAL A 62 8.205 3.563 0.867 1.00 32.45 C ATOM 948 CG2 VAL A 62 6.816 1.482 0.981 1.00 23.11 C ATOM 0 H VAL A 62 5.526 2.317 3.779 1.00 54.55 H new ATOM 0 HA VAL A 62 8.403 2.084 3.170 1.00 4.25 H new ATOM 0 HB VAL A 62 6.196 3.436 1.560 1.00 74.30 H new ATOM 0 HG11 VAL A 62 7.920 3.676 -0.179 1.00 32.45 H new ATOM 0 HG12 VAL A 62 8.357 4.547 1.310 1.00 32.45 H new ATOM 0 HG13 VAL A 62 9.130 2.990 0.931 1.00 32.45 H new ATOM 0 HG21 VAL A 62 6.551 1.623 -0.067 1.00 23.11 H new ATOM 0 HG22 VAL A 62 7.703 0.852 1.049 1.00 23.11 H new ATOM 0 HG23 VAL A 62 5.989 1.001 1.503 1.00 23.11 H new ATOM 958 N ASP A 63 8.955 4.351 4.018 1.00 12.34 N ATOM 959 CA ASP A 63 9.299 5.636 4.615 1.00 31.13 C ATOM 960 C ASP A 63 10.316 6.380 3.754 1.00 72.24 C ATOM 961 O ASP A 63 11.383 5.854 3.438 1.00 22.35 O ATOM 962 CB ASP A 63 9.858 5.434 6.025 1.00 13.30 C ATOM 963 CG ASP A 63 8.960 4.567 6.884 1.00 22.34 C ATOM 964 OD1 ASP A 63 8.844 3.359 6.589 1.00 30.35 O ATOM 965 OD2 ASP A 63 8.375 5.094 7.852 1.00 51.22 O ATOM 0 H ASP A 63 9.752 3.736 3.853 1.00 12.34 H new ATOM 0 HA ASP A 63 8.391 6.236 4.674 1.00 31.13 H new ATOM 0 HB2 ASP A 63 10.845 4.977 5.959 1.00 13.30 H new ATOM 0 HB3 ASP A 63 9.988 6.405 6.504 1.00 13.30 H new ATOM 969 N LEU A 64 9.976 7.608 3.376 1.00 51.11 N ATOM 970 CA LEU A 64 10.858 8.425 2.550 1.00 2.11 C ATOM 971 C LEU A 64 11.311 9.671 3.304 1.00 22.44 C ATOM 972 O LEU A 64 12.404 10.185 3.073 1.00 11.15 O ATOM 973 CB LEU A 64 10.148 8.829 1.256 1.00 22.42 C ATOM 974 CG LEU A 64 8.637 9.043 1.359 1.00 44.44 C ATOM 975 CD1 LEU A 64 8.173 10.071 0.337 1.00 34.43 C ATOM 976 CD2 LEU A 64 7.898 7.727 1.165 1.00 32.33 C ATOM 0 H LEU A 64 9.097 8.059 3.628 1.00 51.11 H new ATOM 0 HA LEU A 64 11.738 7.831 2.305 1.00 2.11 H new ATOM 0 HB2 LEU A 64 10.601 9.750 0.889 1.00 22.42 H new ATOM 0 HB3 LEU A 64 10.336 8.060 0.507 1.00 22.42 H new ATOM 0 HG LEU A 64 8.410 9.422 2.356 1.00 44.44 H new ATOM 0 HD11 LEU A 64 7.096 10.211 0.425 1.00 34.43 H new ATOM 0 HD12 LEU A 64 8.678 11.020 0.520 1.00 34.43 H new ATOM 0 HD13 LEU A 64 8.413 9.720 -0.667 1.00 34.43 H new ATOM 0 HD21 LEU A 64 6.824 7.898 1.241 1.00 32.33 H new ATOM 0 HD22 LEU A 64 8.132 7.320 0.181 1.00 32.33 H new ATOM 0 HD23 LEU A 64 8.208 7.019 1.933 1.00 32.33 H new ATOM 987 N GLY A 65 10.464 10.149 4.211 1.00 44.21 N ATOM 988 CA GLY A 65 10.796 11.329 4.987 1.00 11.02 C ATOM 989 C GLY A 65 11.194 12.504 4.115 1.00 24.45 C ATOM 990 O GLY A 65 11.917 13.397 4.557 1.00 54.25 O ATOM 0 H GLY A 65 9.554 9.740 4.422 1.00 44.21 H new ATOM 0 HA2 GLY A 65 9.940 11.609 5.600 1.00 11.02 H new ATOM 0 HA3 GLY A 65 11.613 11.093 5.669 1.00 11.02 H new ATOM 994 N THR A 66 10.723 12.503 2.872 1.00 4.34 N ATOM 995 CA THR A 66 11.037 13.574 1.935 1.00 11.35 C ATOM 996 C THR A 66 9.824 14.465 1.692 1.00 22.42 C ATOM 997 O THR A 66 9.934 15.523 1.075 1.00 52.13 O ATOM 998 CB THR A 66 11.529 13.016 0.587 1.00 63.24 C ATOM 999 OG1 THR A 66 12.043 14.076 -0.225 1.00 53.43 O ATOM 1000 CG2 THR A 66 10.400 12.309 -0.150 1.00 35.23 C ATOM 0 H THR A 66 10.122 11.772 2.491 1.00 4.34 H new ATOM 0 HA THR A 66 11.834 14.165 2.387 1.00 11.35 H new ATOM 0 HB THR A 66 12.322 12.295 0.786 1.00 63.24 H new ATOM 0 HG1 THR A 66 11.609 14.919 0.024 1.00 53.43 H new ATOM 0 HG21 THR A 66 10.771 11.923 -1.099 1.00 35.23 H new ATOM 0 HG22 THR A 66 10.030 11.483 0.458 1.00 35.23 H new ATOM 0 HG23 THR A 66 9.590 13.014 -0.337 1.00 35.23 H new ATOM 1008 N GLN A 67 8.668 14.028 2.182 1.00 30.12 N ATOM 1009 CA GLN A 67 7.434 14.787 2.017 1.00 21.11 C ATOM 1010 C GLN A 67 7.225 15.176 0.557 1.00 20.14 C ATOM 1011 O GLN A 67 7.518 16.303 0.158 1.00 53.35 O ATOM 1012 CB GLN A 67 7.460 16.040 2.893 1.00 10.13 C ATOM 1013 CG GLN A 67 6.081 16.505 3.331 1.00 24.22 C ATOM 1014 CD GLN A 67 6.085 17.120 4.717 1.00 0.40 C ATOM 1015 OE1 GLN A 67 5.847 16.437 5.713 1.00 11.14 O ATOM 1016 NE2 GLN A 67 6.357 18.417 4.788 1.00 55.53 N ATOM 0 H GLN A 67 8.560 13.153 2.696 1.00 30.12 H new ATOM 0 HA GLN A 67 6.603 14.153 2.327 1.00 21.11 H new ATOM 0 HB2 GLN A 67 8.065 15.842 3.778 1.00 10.13 H new ATOM 0 HB3 GLN A 67 7.949 16.846 2.346 1.00 10.13 H new ATOM 0 HG2 GLN A 67 5.704 17.235 2.615 1.00 24.22 H new ATOM 0 HG3 GLN A 67 5.394 15.659 3.315 1.00 24.22 H new ATOM 0 HE21 GLN A 67 6.549 18.945 3.937 1.00 55.53 H new ATOM 0 HE22 GLN A 67 6.375 18.886 5.694 1.00 55.53 H new ATOM 1023 N ARG A 68 6.719 14.236 -0.234 1.00 53.24 N ATOM 1024 CA ARG A 68 6.472 14.481 -1.650 1.00 4.20 C ATOM 1025 C ARG A 68 4.992 14.316 -1.981 1.00 40.15 C ATOM 1026 O ARG A 68 4.312 13.461 -1.414 1.00 50.44 O ATOM 1027 CB ARG A 68 7.307 13.527 -2.507 1.00 43.55 C ATOM 1028 CG ARG A 68 8.694 14.057 -2.834 1.00 52.12 C ATOM 1029 CD ARG A 68 8.630 15.224 -3.807 1.00 61.22 C ATOM 1030 NE ARG A 68 9.955 15.758 -4.111 1.00 24.41 N ATOM 1031 CZ ARG A 68 10.161 16.971 -4.610 1.00 30.15 C ATOM 1032 NH1 ARG A 68 9.136 17.773 -4.860 1.00 64.34 N ATOM 1033 NH2 ARG A 68 11.398 17.385 -4.860 1.00 61.03 N ATOM 0 H ARG A 68 6.472 13.298 0.081 1.00 53.24 H new ATOM 0 HA ARG A 68 6.763 15.508 -1.872 1.00 4.20 H new ATOM 0 HB2 ARG A 68 7.405 12.575 -1.985 1.00 43.55 H new ATOM 0 HB3 ARG A 68 6.775 13.328 -3.437 1.00 43.55 H new ATOM 0 HG2 ARG A 68 9.189 14.374 -1.916 1.00 52.12 H new ATOM 0 HG3 ARG A 68 9.298 13.257 -3.262 1.00 52.12 H new ATOM 0 HD2 ARG A 68 8.149 14.900 -4.730 1.00 61.22 H new ATOM 0 HD3 ARG A 68 8.009 16.014 -3.385 1.00 61.22 H new ATOM 0 HE ARG A 68 10.766 15.167 -3.930 1.00 24.41 H new ATOM 0 HH11 ARG A 68 8.184 17.459 -4.669 1.00 64.34 H new ATOM 0 HH12 ARG A 68 9.299 18.704 -5.243 1.00 64.34 H new ATOM 0 HH21 ARG A 68 12.190 16.771 -4.669 1.00 61.03 H new ATOM 0 HH22 ARG A 68 11.556 18.317 -5.243 1.00 61.03 H new ATOM 1044 N GLN A 69 4.502 15.139 -2.902 1.00 75.34 N ATOM 1045 CA GLN A 69 3.102 15.084 -3.307 1.00 54.11 C ATOM 1046 C GLN A 69 2.871 13.966 -4.318 1.00 34.22 C ATOM 1047 O GLN A 69 3.426 13.983 -5.416 1.00 52.04 O ATOM 1048 CB GLN A 69 2.669 16.425 -3.904 1.00 51.32 C ATOM 1049 CG GLN A 69 1.395 16.340 -4.730 1.00 2.25 C ATOM 1050 CD GLN A 69 0.869 17.704 -5.134 1.00 30.33 C ATOM 1051 OE1 GLN A 69 0.232 18.395 -4.339 1.00 50.23 O ATOM 1052 NE2 GLN A 69 1.134 18.098 -6.373 1.00 0.22 N ATOM 0 H GLN A 69 5.053 15.851 -3.382 1.00 75.34 H new ATOM 0 HA GLN A 69 2.502 14.877 -2.421 1.00 54.11 H new ATOM 0 HB2 GLN A 69 2.521 17.142 -3.096 1.00 51.32 H new ATOM 0 HB3 GLN A 69 3.473 16.811 -4.530 1.00 51.32 H new ATOM 0 HG2 GLN A 69 1.586 15.749 -5.626 1.00 2.25 H new ATOM 0 HG3 GLN A 69 0.630 15.815 -4.158 1.00 2.25 H new ATOM 0 HE21 GLN A 69 1.666 17.492 -6.998 1.00 0.22 H new ATOM 0 HE22 GLN A 69 0.806 19.007 -6.700 1.00 0.22 H new ATOM 1059 N VAL A 70 2.048 12.993 -3.938 1.00 51.21 N ATOM 1060 CA VAL A 70 1.743 11.866 -4.811 1.00 43.50 C ATOM 1061 C VAL A 70 0.543 12.170 -5.702 1.00 53.40 C ATOM 1062 O VAL A 70 -0.388 12.864 -5.293 1.00 61.32 O ATOM 1063 CB VAL A 70 1.456 10.589 -4.000 1.00 44.45 C ATOM 1064 CG1 VAL A 70 2.621 10.271 -3.076 1.00 44.12 C ATOM 1065 CG2 VAL A 70 0.164 10.739 -3.211 1.00 3.13 C ATOM 0 H VAL A 70 1.581 12.963 -3.032 1.00 51.21 H new ATOM 0 HA VAL A 70 2.622 11.701 -5.434 1.00 43.50 H new ATOM 0 HB VAL A 70 1.336 9.757 -4.694 1.00 44.45 H new ATOM 0 HG11 VAL A 70 2.400 9.365 -2.511 1.00 44.12 H new ATOM 0 HG12 VAL A 70 3.524 10.119 -3.668 1.00 44.12 H new ATOM 0 HG13 VAL A 70 2.775 11.101 -2.386 1.00 44.12 H new ATOM 0 HG21 VAL A 70 -0.024 9.827 -2.644 1.00 3.13 H new ATOM 0 HG22 VAL A 70 0.252 11.582 -2.525 1.00 3.13 H new ATOM 0 HG23 VAL A 70 -0.664 10.916 -3.898 1.00 3.13 H new ATOM 1075 N THR A 71 0.571 11.645 -6.923 1.00 15.40 N ATOM 1076 CA THR A 71 -0.513 11.861 -7.873 1.00 70.32 C ATOM 1077 C THR A 71 -0.838 10.581 -8.636 1.00 34.12 C ATOM 1078 O THR A 71 -1.364 10.627 -9.747 1.00 62.52 O ATOM 1079 CB THR A 71 -0.165 12.972 -8.881 1.00 23.02 C ATOM 1080 OG1 THR A 71 1.090 13.570 -8.538 1.00 0.13 O ATOM 1081 CG2 THR A 71 -1.250 14.038 -8.907 1.00 44.44 C ATOM 0 H THR A 71 1.333 11.067 -7.277 1.00 15.40 H new ATOM 0 HA THR A 71 -1.384 12.167 -7.294 1.00 70.32 H new ATOM 0 HB THR A 71 -0.094 12.524 -9.872 1.00 23.02 H new ATOM 0 HG1 THR A 71 0.938 14.325 -7.932 1.00 0.13 H new ATOM 0 HG21 THR A 71 -0.982 14.812 -9.626 1.00 44.44 H new ATOM 0 HG22 THR A 71 -2.198 13.585 -9.197 1.00 44.44 H new ATOM 0 HG23 THR A 71 -1.348 14.481 -7.916 1.00 44.44 H new ATOM 1089 N GLY A 72 -0.522 9.441 -8.030 1.00 4.01 N ATOM 1090 CA GLY A 72 -0.788 8.164 -8.668 1.00 14.00 C ATOM 1091 C GLY A 72 -0.112 7.008 -7.957 1.00 75.55 C ATOM 1092 O GLY A 72 0.825 7.209 -7.185 1.00 15.53 O ATOM 0 H GLY A 72 -0.087 9.378 -7.110 1.00 4.01 H new ATOM 0 HA2 GLY A 72 -1.864 7.991 -8.694 1.00 14.00 H new ATOM 0 HA3 GLY A 72 -0.446 8.200 -9.702 1.00 14.00 H new ATOM 1096 N ILE A 73 -0.591 5.796 -8.214 1.00 41.31 N ATOM 1097 CA ILE A 73 -0.026 4.604 -7.593 1.00 73.14 C ATOM 1098 C ILE A 73 0.023 3.442 -8.577 1.00 13.55 C ATOM 1099 O ILE A 73 -0.670 3.447 -9.595 1.00 60.43 O ATOM 1100 CB ILE A 73 -0.837 4.180 -6.354 1.00 2.22 C ATOM 1101 CG1 ILE A 73 -2.271 3.823 -6.753 1.00 14.35 C ATOM 1102 CG2 ILE A 73 -0.831 5.287 -5.311 1.00 62.22 C ATOM 1103 CD1 ILE A 73 -2.553 2.338 -6.727 1.00 23.51 C ATOM 0 H ILE A 73 -1.369 5.613 -8.848 1.00 41.31 H new ATOM 0 HA ILE A 73 0.988 4.858 -7.285 1.00 73.14 H new ATOM 0 HB ILE A 73 -0.371 3.296 -5.919 1.00 2.22 H new ATOM 0 HG12 ILE A 73 -2.963 4.328 -6.079 1.00 14.35 H new ATOM 0 HG13 ILE A 73 -2.466 4.204 -7.755 1.00 14.35 H new ATOM 0 HG21 ILE A 73 -1.408 4.971 -4.442 1.00 62.22 H new ATOM 0 HG22 ILE A 73 0.195 5.496 -5.008 1.00 62.22 H new ATOM 0 HG23 ILE A 73 -1.275 6.188 -5.734 1.00 62.22 H new ATOM 0 HD11 ILE A 73 -3.587 2.159 -7.021 1.00 23.51 H new ATOM 0 HD12 ILE A 73 -1.885 1.829 -7.422 1.00 23.51 H new ATOM 0 HD13 ILE A 73 -2.390 1.954 -5.720 1.00 23.51 H new ATOM 1114 N ILE A 74 0.847 2.446 -8.267 1.00 54.23 N ATOM 1115 CA ILE A 74 0.985 1.275 -9.124 1.00 41.41 C ATOM 1116 C ILE A 74 1.475 0.069 -8.330 1.00 44.31 C ATOM 1117 O ILE A 74 2.373 0.183 -7.495 1.00 65.22 O ATOM 1118 CB ILE A 74 1.959 1.540 -10.288 1.00 61.32 C ATOM 1119 CG1 ILE A 74 2.223 0.248 -11.064 1.00 14.44 C ATOM 1120 CG2 ILE A 74 3.262 2.126 -9.765 1.00 71.11 C ATOM 1121 CD1 ILE A 74 0.966 -0.411 -11.586 1.00 21.03 C ATOM 0 H ILE A 74 1.429 2.427 -7.429 1.00 54.23 H new ATOM 0 HA ILE A 74 -0.004 1.063 -9.531 1.00 41.41 H new ATOM 0 HB ILE A 74 1.505 2.263 -10.966 1.00 61.32 H new ATOM 0 HG12 ILE A 74 2.884 0.466 -11.903 1.00 14.44 H new ATOM 0 HG13 ILE A 74 2.750 -0.454 -10.417 1.00 14.44 H new ATOM 0 HG21 ILE A 74 3.940 2.308 -10.599 1.00 71.11 H new ATOM 0 HG22 ILE A 74 3.058 3.066 -9.252 1.00 71.11 H new ATOM 0 HG23 ILE A 74 3.723 1.425 -9.069 1.00 71.11 H new ATOM 0 HD11 ILE A 74 1.229 -1.321 -12.125 1.00 21.03 H new ATOM 0 HD12 ILE A 74 0.312 -0.661 -10.750 1.00 21.03 H new ATOM 0 HD13 ILE A 74 0.449 0.273 -12.259 1.00 21.03 H new ATOM 1132 N THR A 75 0.881 -1.090 -8.598 1.00 41.25 N ATOM 1133 CA THR A 75 1.256 -2.319 -7.911 1.00 33.02 C ATOM 1134 C THR A 75 1.563 -3.434 -8.904 1.00 64.25 C ATOM 1135 O THR A 75 0.928 -3.533 -9.953 1.00 61.34 O ATOM 1136 CB THR A 75 0.145 -2.791 -6.954 1.00 54.55 C ATOM 1137 OG1 THR A 75 0.422 -4.118 -6.497 1.00 31.41 O ATOM 1138 CG2 THR A 75 -1.211 -2.758 -7.643 1.00 63.12 C ATOM 0 H THR A 75 0.137 -1.203 -9.287 1.00 41.25 H new ATOM 0 HA THR A 75 2.152 -2.095 -7.332 1.00 33.02 H new ATOM 0 HB THR A 75 0.118 -2.113 -6.101 1.00 54.55 H new ATOM 0 HG1 THR A 75 -0.195 -4.349 -5.771 1.00 31.41 H new ATOM 0 HG21 THR A 75 -1.980 -3.095 -6.948 1.00 63.12 H new ATOM 0 HG22 THR A 75 -1.432 -1.740 -7.963 1.00 63.12 H new ATOM 0 HG23 THR A 75 -1.194 -3.415 -8.512 1.00 63.12 H new ATOM 1146 N GLN A 76 2.539 -4.270 -8.566 1.00 33.51 N ATOM 1147 CA GLN A 76 2.928 -5.378 -9.430 1.00 35.43 C ATOM 1148 C GLN A 76 3.304 -6.605 -8.605 1.00 22.22 C ATOM 1149 O GLN A 76 3.992 -6.498 -7.591 1.00 53.31 O ATOM 1150 CB GLN A 76 4.102 -4.969 -10.321 1.00 13.10 C ATOM 1151 CG GLN A 76 3.904 -5.318 -11.787 1.00 44.13 C ATOM 1152 CD GLN A 76 5.025 -6.177 -12.339 1.00 64.33 C ATOM 1153 OE1 GLN A 76 6.154 -6.133 -11.851 1.00 71.10 O ATOM 1154 NE2 GLN A 76 4.717 -6.965 -13.364 1.00 32.55 N ATOM 0 H GLN A 76 3.075 -4.201 -7.701 1.00 33.51 H new ATOM 0 HA GLN A 76 2.075 -5.633 -10.059 1.00 35.43 H new ATOM 0 HB2 GLN A 76 4.259 -3.894 -10.230 1.00 13.10 H new ATOM 0 HB3 GLN A 76 5.008 -5.455 -9.960 1.00 13.10 H new ATOM 0 HG2 GLN A 76 2.956 -5.843 -11.907 1.00 44.13 H new ATOM 0 HG3 GLN A 76 3.835 -4.399 -12.369 1.00 44.13 H new ATOM 0 HE21 GLN A 76 3.768 -6.969 -13.737 1.00 32.55 H new ATOM 0 HE22 GLN A 76 5.430 -7.566 -13.778 1.00 32.55 H new ATOM 1161 N GLY A 77 2.846 -7.773 -9.048 1.00 75.35 N ATOM 1162 CA GLY A 77 3.143 -9.003 -8.339 1.00 3.41 C ATOM 1163 C GLY A 77 4.359 -9.715 -8.899 1.00 33.30 C ATOM 1164 O GLY A 77 4.957 -9.263 -9.875 1.00 22.31 O ATOM 0 H GLY A 77 2.275 -7.888 -9.885 1.00 75.35 H new ATOM 0 HA2 GLY A 77 3.309 -8.780 -7.285 1.00 3.41 H new ATOM 0 HA3 GLY A 77 2.280 -9.667 -8.392 1.00 3.41 H new ATOM 1168 N ALA A 78 4.727 -10.831 -8.278 1.00 63.44 N ATOM 1169 CA ALA A 78 5.878 -11.608 -8.720 1.00 13.40 C ATOM 1170 C ALA A 78 5.504 -13.068 -8.942 1.00 44.10 C ATOM 1171 O ALA A 78 4.647 -13.613 -8.244 1.00 42.43 O ATOM 1172 CB ALA A 78 7.008 -11.498 -7.707 1.00 24.41 C ATOM 0 H ALA A 78 4.244 -11.217 -7.467 1.00 63.44 H new ATOM 0 HA ALA A 78 6.216 -11.200 -9.672 1.00 13.40 H new ATOM 0 HB1 ALA A 78 7.862 -12.083 -8.049 1.00 24.41 H new ATOM 0 HB2 ALA A 78 7.302 -10.454 -7.602 1.00 24.41 H new ATOM 0 HB3 ALA A 78 6.671 -11.878 -6.743 1.00 24.41 H new ATOM 1178 N ARG A 79 6.149 -13.699 -9.918 1.00 61.13 N ATOM 1179 CA ARG A 79 5.881 -15.097 -10.233 1.00 10.42 C ATOM 1180 C ARG A 79 7.168 -15.918 -10.198 1.00 72.42 C ATOM 1181 O ARG A 79 8.251 -15.404 -10.477 1.00 23.35 O ATOM 1182 CB ARG A 79 5.226 -15.215 -11.610 1.00 53.54 C ATOM 1183 CG ARG A 79 6.171 -14.919 -12.762 1.00 3.44 C ATOM 1184 CD ARG A 79 6.294 -16.109 -13.702 1.00 24.13 C ATOM 1185 NE ARG A 79 5.493 -15.936 -14.910 1.00 3.21 N ATOM 1186 CZ ARG A 79 5.713 -16.601 -16.040 1.00 32.41 C ATOM 1187 NH1 ARG A 79 6.705 -17.478 -16.114 1.00 22.32 N ATOM 1188 NH2 ARG A 79 4.940 -16.389 -17.097 1.00 14.13 N ATOM 0 H ARG A 79 6.861 -13.264 -10.504 1.00 61.13 H new ATOM 0 HA ARG A 79 5.199 -15.489 -9.479 1.00 10.42 H new ATOM 0 HB2 ARG A 79 4.828 -16.223 -11.728 1.00 53.54 H new ATOM 0 HB3 ARG A 79 4.380 -14.530 -11.660 1.00 53.54 H new ATOM 0 HG2 ARG A 79 5.811 -14.052 -13.316 1.00 3.44 H new ATOM 0 HG3 ARG A 79 7.155 -14.660 -12.370 1.00 3.44 H new ATOM 0 HD2 ARG A 79 7.340 -16.247 -13.977 1.00 24.13 H new ATOM 0 HD3 ARG A 79 5.978 -17.015 -13.184 1.00 24.13 H new ATOM 0 HE ARG A 79 4.722 -15.268 -14.886 1.00 3.21 H new ATOM 0 HH11 ARG A 79 7.301 -17.643 -15.303 1.00 22.32 H new ATOM 0 HH12 ARG A 79 6.872 -17.987 -16.982 1.00 22.32 H new ATOM 0 HH21 ARG A 79 4.176 -15.715 -17.043 1.00 14.13 H new ATOM 0 HH22 ARG A 79 5.110 -16.900 -17.964 1.00 14.13 H new ATOM 1199 N ASP A 80 7.039 -17.194 -9.854 1.00 24.23 N ATOM 1200 CA ASP A 80 8.190 -18.087 -9.782 1.00 51.44 C ATOM 1201 C ASP A 80 8.121 -19.152 -10.873 1.00 52.25 C ATOM 1202 O ASP A 80 8.469 -20.310 -10.647 1.00 54.11 O ATOM 1203 CB ASP A 80 8.262 -18.751 -8.407 1.00 21.22 C ATOM 1204 CG ASP A 80 9.651 -19.269 -8.087 1.00 60.12 C ATOM 1205 OD1 ASP A 80 10.481 -18.476 -7.595 1.00 62.30 O ATOM 1206 OD2 ASP A 80 9.909 -20.468 -8.329 1.00 74.34 O ATOM 0 H ASP A 80 6.149 -17.634 -9.620 1.00 24.23 H new ATOM 0 HA ASP A 80 9.090 -17.492 -9.937 1.00 51.44 H new ATOM 0 HB2 ASP A 80 7.960 -18.034 -7.644 1.00 21.22 H new ATOM 0 HB3 ASP A 80 7.551 -19.577 -8.368 1.00 21.22 H new ATOM 1210 N PHE A 81 7.667 -18.750 -12.056 1.00 72.14 N ATOM 1211 CA PHE A 81 7.550 -19.670 -13.182 1.00 60.32 C ATOM 1212 C PHE A 81 6.540 -20.774 -12.879 1.00 35.14 C ATOM 1213 O PHE A 81 6.889 -21.812 -12.318 1.00 73.13 O ATOM 1214 CB PHE A 81 8.912 -20.284 -13.509 1.00 23.24 C ATOM 1215 CG PHE A 81 10.020 -19.275 -13.594 1.00 0.30 C ATOM 1216 CD1 PHE A 81 10.276 -18.605 -14.780 1.00 63.41 C ATOM 1217 CD2 PHE A 81 10.808 -18.996 -12.489 1.00 63.24 C ATOM 1218 CE1 PHE A 81 11.295 -17.675 -14.862 1.00 2.01 C ATOM 1219 CE2 PHE A 81 11.828 -18.066 -12.565 1.00 62.42 C ATOM 1220 CZ PHE A 81 12.073 -17.407 -13.753 1.00 50.05 C ATOM 0 H PHE A 81 7.374 -17.794 -12.260 1.00 72.14 H new ATOM 0 HA PHE A 81 7.197 -19.106 -14.046 1.00 60.32 H new ATOM 0 HB2 PHE A 81 9.161 -21.022 -12.746 1.00 23.24 H new ATOM 0 HB3 PHE A 81 8.843 -20.817 -14.458 1.00 23.24 H new ATOM 0 HD1 PHE A 81 9.672 -18.812 -15.651 1.00 63.41 H new ATOM 0 HD2 PHE A 81 10.623 -19.511 -11.558 1.00 63.24 H new ATOM 0 HE1 PHE A 81 11.483 -17.159 -15.792 1.00 2.01 H new ATOM 0 HE2 PHE A 81 12.433 -17.855 -11.695 1.00 62.42 H new ATOM 0 HZ PHE A 81 12.872 -16.683 -13.815 1.00 50.05 H new ATOM 1229 N GLY A 82 5.287 -20.540 -13.255 1.00 63.41 N ATOM 1230 CA GLY A 82 4.245 -21.523 -13.015 1.00 1.44 C ATOM 1231 C GLY A 82 3.550 -21.317 -11.684 1.00 61.32 C ATOM 1232 O GLY A 82 2.324 -21.407 -11.595 1.00 14.20 O ATOM 0 H GLY A 82 4.974 -19.688 -13.721 1.00 63.41 H new ATOM 0 HA2 GLY A 82 3.509 -21.471 -13.818 1.00 1.44 H new ATOM 0 HA3 GLY A 82 4.679 -22.523 -13.044 1.00 1.44 H new ATOM 1236 N HIS A 83 4.332 -21.041 -10.645 1.00 4.51 N ATOM 1237 CA HIS A 83 3.783 -20.823 -9.312 1.00 11.03 C ATOM 1238 C HIS A 83 3.542 -19.338 -9.060 1.00 12.51 C ATOM 1239 O HIS A 83 3.759 -18.843 -7.953 1.00 64.33 O ATOM 1240 CB HIS A 83 4.729 -21.386 -8.250 1.00 54.32 C ATOM 1241 CG HIS A 83 4.602 -22.865 -8.058 1.00 31.02 C ATOM 1242 ND1 HIS A 83 5.152 -23.535 -6.986 1.00 0.02 N ATOM 1243 CD2 HIS A 83 3.982 -23.805 -8.809 1.00 61.12 C ATOM 1244 CE1 HIS A 83 4.877 -24.823 -7.086 1.00 71.10 C ATOM 1245 NE2 HIS A 83 4.167 -25.014 -8.183 1.00 72.10 N ATOM 0 H HIS A 83 5.347 -20.963 -10.701 1.00 4.51 H new ATOM 0 HA HIS A 83 2.827 -21.344 -9.249 1.00 11.03 H new ATOM 0 HB2 HIS A 83 5.756 -21.151 -8.529 1.00 54.32 H new ATOM 0 HB3 HIS A 83 4.535 -20.887 -7.301 1.00 54.32 H new ATOM 0 HD2 HIS A 83 3.442 -23.636 -9.729 1.00 61.12 H new ATOM 0 HE1 HIS A 83 5.181 -25.590 -6.389 1.00 71.10 H new ATOM 0 HE2 HIS A 83 3.814 -25.913 -8.512 1.00 72.10 H new ATOM 1252 N ILE A 84 3.093 -18.633 -10.093 1.00 15.34 N ATOM 1253 CA ILE A 84 2.824 -17.205 -9.983 1.00 72.25 C ATOM 1254 C ILE A 84 2.242 -16.860 -8.616 1.00 41.32 C ATOM 1255 O ILE A 84 1.350 -17.546 -8.119 1.00 60.15 O ATOM 1256 CB ILE A 84 1.850 -16.730 -11.077 1.00 72.15 C ATOM 1257 CG1 ILE A 84 2.392 -17.086 -12.463 1.00 20.34 C ATOM 1258 CG2 ILE A 84 1.614 -15.231 -10.963 1.00 2.25 C ATOM 1259 CD1 ILE A 84 1.446 -17.936 -13.283 1.00 34.43 C ATOM 0 H ILE A 84 2.908 -19.028 -11.015 1.00 15.34 H new ATOM 0 HA ILE A 84 3.778 -16.693 -10.110 1.00 72.25 H new ATOM 0 HB ILE A 84 0.896 -17.239 -10.939 1.00 72.15 H new ATOM 0 HG12 ILE A 84 2.606 -16.166 -13.008 1.00 20.34 H new ATOM 0 HG13 ILE A 84 3.338 -17.616 -12.349 1.00 20.34 H new ATOM 0 HG21 ILE A 84 0.923 -14.911 -11.743 1.00 2.25 H new ATOM 0 HG22 ILE A 84 1.188 -15.003 -9.986 1.00 2.25 H new ATOM 0 HG23 ILE A 84 2.561 -14.704 -11.078 1.00 2.25 H new ATOM 0 HD11 ILE A 84 1.896 -18.149 -14.253 1.00 34.43 H new ATOM 0 HD12 ILE A 84 1.251 -18.872 -12.760 1.00 34.43 H new ATOM 0 HD13 ILE A 84 0.508 -17.400 -13.428 1.00 34.43 H new ATOM 1270 N GLN A 85 2.753 -15.789 -8.015 1.00 60.50 N ATOM 1271 CA GLN A 85 2.282 -15.352 -6.706 1.00 20.35 C ATOM 1272 C GLN A 85 1.793 -13.910 -6.757 1.00 53.52 C ATOM 1273 O GLN A 85 2.211 -13.132 -7.614 1.00 52.44 O ATOM 1274 CB GLN A 85 3.398 -15.488 -5.668 1.00 20.41 C ATOM 1275 CG GLN A 85 4.146 -16.810 -5.748 1.00 63.54 C ATOM 1276 CD GLN A 85 5.420 -16.810 -4.928 1.00 22.30 C ATOM 1277 OE1 GLN A 85 6.125 -15.803 -4.854 1.00 34.41 O ATOM 1278 NE2 GLN A 85 5.724 -17.943 -4.305 1.00 40.03 N ATOM 0 H GLN A 85 3.492 -15.209 -8.413 1.00 60.50 H new ATOM 0 HA GLN A 85 1.446 -15.989 -6.417 1.00 20.35 H new ATOM 0 HB2 GLN A 85 4.107 -14.670 -5.800 1.00 20.41 H new ATOM 0 HB3 GLN A 85 2.970 -15.382 -4.671 1.00 20.41 H new ATOM 0 HG2 GLN A 85 3.495 -17.613 -5.401 1.00 63.54 H new ATOM 0 HG3 GLN A 85 4.389 -17.023 -6.789 1.00 63.54 H new ATOM 0 HE21 GLN A 85 5.112 -18.754 -4.393 1.00 40.03 H new ATOM 0 HE22 GLN A 85 6.570 -18.002 -3.738 1.00 40.03 H new ATOM 1285 N TYR A 86 0.905 -13.558 -5.834 1.00 64.22 N ATOM 1286 CA TYR A 86 0.356 -12.208 -5.776 1.00 63.40 C ATOM 1287 C TYR A 86 -0.627 -12.070 -4.616 1.00 53.42 C ATOM 1288 O TYR A 86 -1.249 -13.043 -4.194 1.00 21.43 O ATOM 1289 CB TYR A 86 -0.341 -11.861 -7.093 1.00 41.01 C ATOM 1290 CG TYR A 86 -1.237 -12.962 -7.612 1.00 42.21 C ATOM 1291 CD1 TYR A 86 -2.563 -13.055 -7.208 1.00 52.25 C ATOM 1292 CD2 TYR A 86 -0.759 -13.910 -8.508 1.00 12.42 C ATOM 1293 CE1 TYR A 86 -3.386 -14.060 -7.679 1.00 54.52 C ATOM 1294 CE2 TYR A 86 -1.575 -14.918 -8.987 1.00 14.04 C ATOM 1295 CZ TYR A 86 -2.887 -14.988 -8.569 1.00 23.43 C ATOM 1296 OH TYR A 86 -3.703 -15.990 -9.041 1.00 40.35 O ATOM 0 H TYR A 86 0.550 -14.189 -5.115 1.00 64.22 H new ATOM 0 HA TYR A 86 1.181 -11.514 -5.615 1.00 63.40 H new ATOM 0 HB2 TYR A 86 -0.934 -10.957 -6.953 1.00 41.01 H new ATOM 0 HB3 TYR A 86 0.414 -11.634 -7.845 1.00 41.01 H new ATOM 0 HD1 TYR A 86 -2.958 -12.329 -6.513 1.00 52.25 H new ATOM 0 HD2 TYR A 86 0.269 -13.859 -8.836 1.00 12.42 H new ATOM 0 HE1 TYR A 86 -4.414 -14.119 -7.352 1.00 54.52 H new ATOM 0 HE2 TYR A 86 -1.187 -15.646 -9.684 1.00 14.04 H new ATOM 0 HH TYR A 86 -3.199 -16.559 -9.660 1.00 40.35 H new ATOM 1305 N VAL A 87 -0.761 -10.849 -4.106 1.00 0.15 N ATOM 1306 CA VAL A 87 -1.667 -10.579 -2.997 1.00 25.33 C ATOM 1307 C VAL A 87 -3.026 -10.105 -3.501 1.00 14.32 C ATOM 1308 O VAL A 87 -3.136 -9.557 -4.597 1.00 2.00 O ATOM 1309 CB VAL A 87 -1.087 -9.519 -2.042 1.00 3.24 C ATOM 1310 CG1 VAL A 87 -1.885 -9.472 -0.749 1.00 35.42 C ATOM 1311 CG2 VAL A 87 0.381 -9.802 -1.762 1.00 1.12 C ATOM 0 H VAL A 87 -0.253 -10.032 -4.444 1.00 0.15 H new ATOM 0 HA VAL A 87 -1.790 -11.516 -2.454 1.00 25.33 H new ATOM 0 HB VAL A 87 -1.161 -8.543 -2.522 1.00 3.24 H new ATOM 0 HG11 VAL A 87 -1.461 -8.717 -0.087 1.00 35.42 H new ATOM 0 HG12 VAL A 87 -2.922 -9.219 -0.970 1.00 35.42 H new ATOM 0 HG13 VAL A 87 -1.846 -10.446 -0.262 1.00 35.42 H new ATOM 0 HG21 VAL A 87 0.775 -9.044 -1.086 1.00 1.12 H new ATOM 0 HG22 VAL A 87 0.481 -10.785 -1.302 1.00 1.12 H new ATOM 0 HG23 VAL A 87 0.941 -9.780 -2.697 1.00 1.12 H new ATOM 1321 N ALA A 88 -4.058 -10.317 -2.691 1.00 45.22 N ATOM 1322 CA ALA A 88 -5.410 -9.908 -3.053 1.00 11.52 C ATOM 1323 C ALA A 88 -5.910 -8.795 -2.139 1.00 3.33 C ATOM 1324 O ALA A 88 -5.949 -7.628 -2.530 1.00 12.14 O ATOM 1325 CB ALA A 88 -6.353 -11.100 -3.002 1.00 65.51 C ATOM 0 H ALA A 88 -3.984 -10.770 -1.780 1.00 45.22 H new ATOM 0 HA ALA A 88 -5.386 -9.522 -4.072 1.00 11.52 H new ATOM 0 HB1 ALA A 88 -7.359 -10.780 -3.274 1.00 65.51 H new ATOM 0 HB2 ALA A 88 -6.013 -11.863 -3.702 1.00 65.51 H new ATOM 0 HB3 ALA A 88 -6.364 -11.512 -1.993 1.00 65.51 H new ATOM 1331 N SER A 89 -6.292 -9.164 -0.920 1.00 51.33 N ATOM 1332 CA SER A 89 -6.795 -8.196 0.048 1.00 24.10 C ATOM 1333 C SER A 89 -5.654 -7.613 0.876 1.00 22.40 C ATOM 1334 O SER A 89 -4.857 -8.349 1.460 1.00 52.12 O ATOM 1335 CB SER A 89 -7.825 -8.853 0.969 1.00 63.33 C ATOM 1336 OG SER A 89 -8.964 -8.025 1.134 1.00 0.41 O ATOM 0 H SER A 89 -6.263 -10.125 -0.580 1.00 51.33 H new ATOM 0 HA SER A 89 -7.274 -7.385 -0.501 1.00 24.10 H new ATOM 0 HB2 SER A 89 -8.128 -9.814 0.554 1.00 63.33 H new ATOM 0 HB3 SER A 89 -7.373 -9.053 1.941 1.00 63.33 H new ATOM 0 HG SER A 89 -9.608 -8.468 1.725 1.00 0.41 H new ATOM 1341 N TYR A 90 -5.581 -6.289 0.922 1.00 54.04 N ATOM 1342 CA TYR A 90 -4.537 -5.605 1.675 1.00 33.53 C ATOM 1343 C TYR A 90 -4.945 -4.171 1.996 1.00 72.23 C ATOM 1344 O TYR A 90 -5.580 -3.496 1.184 1.00 0.02 O ATOM 1345 CB TYR A 90 -3.225 -5.610 0.890 1.00 23.00 C ATOM 1346 CG TYR A 90 -3.357 -5.059 -0.512 1.00 1.01 C ATOM 1347 CD1 TYR A 90 -3.355 -3.690 -0.745 1.00 15.00 C ATOM 1348 CD2 TYR A 90 -3.483 -5.909 -1.604 1.00 42.34 C ATOM 1349 CE1 TYR A 90 -3.476 -3.182 -2.024 1.00 52.12 C ATOM 1350 CE2 TYR A 90 -3.603 -5.410 -2.887 1.00 4.32 C ATOM 1351 CZ TYR A 90 -3.600 -4.046 -3.092 1.00 24.12 C ATOM 1352 OH TYR A 90 -3.719 -3.545 -4.367 1.00 2.11 O ATOM 0 H TYR A 90 -6.234 -5.666 0.446 1.00 54.04 H new ATOM 0 HA TYR A 90 -4.393 -6.141 2.613 1.00 33.53 H new ATOM 0 HB2 TYR A 90 -2.484 -5.024 1.433 1.00 23.00 H new ATOM 0 HB3 TYR A 90 -2.847 -6.631 0.836 1.00 23.00 H new ATOM 0 HD1 TYR A 90 -3.257 -3.010 0.089 1.00 15.00 H new ATOM 0 HD2 TYR A 90 -3.487 -6.978 -1.447 1.00 42.34 H new ATOM 0 HE1 TYR A 90 -3.474 -2.114 -2.187 1.00 52.12 H new ATOM 0 HE2 TYR A 90 -3.699 -6.085 -3.725 1.00 4.32 H new ATOM 0 HH TYR A 90 -3.246 -2.689 -4.428 1.00 2.11 H new ATOM 1361 N LYS A 91 -4.577 -3.709 3.186 1.00 31.35 N ATOM 1362 CA LYS A 91 -4.902 -2.354 3.616 1.00 32.15 C ATOM 1363 C LYS A 91 -3.703 -1.427 3.447 1.00 10.44 C ATOM 1364 O LYS A 91 -2.789 -1.421 4.271 1.00 1.15 O ATOM 1365 CB LYS A 91 -5.356 -2.356 5.078 1.00 45.42 C ATOM 1366 CG LYS A 91 -6.724 -1.732 5.290 1.00 55.25 C ATOM 1367 CD LYS A 91 -6.617 -0.359 5.933 1.00 31.44 C ATOM 1368 CE LYS A 91 -7.922 0.046 6.602 1.00 30.23 C ATOM 1369 NZ LYS A 91 -7.738 0.319 8.054 1.00 34.31 N ATOM 0 H LYS A 91 -4.053 -4.254 3.871 1.00 31.35 H new ATOM 0 HA LYS A 91 -5.715 -1.986 2.990 1.00 32.15 H new ATOM 0 HB2 LYS A 91 -5.374 -3.383 5.443 1.00 45.42 H new ATOM 0 HB3 LYS A 91 -4.623 -1.817 5.678 1.00 45.42 H new ATOM 0 HG2 LYS A 91 -7.239 -1.647 4.333 1.00 55.25 H new ATOM 0 HG3 LYS A 91 -7.329 -2.384 5.920 1.00 55.25 H new ATOM 0 HD2 LYS A 91 -5.815 -0.363 6.671 1.00 31.44 H new ATOM 0 HD3 LYS A 91 -6.351 0.379 5.176 1.00 31.44 H new ATOM 0 HE2 LYS A 91 -8.321 0.935 6.113 1.00 30.23 H new ATOM 0 HE3 LYS A 91 -8.658 -0.747 6.472 1.00 30.23 H new ATOM 0 HZ1 LYS A 91 -8.356 1.105 8.341 1.00 34.31 H new ATOM 0 HZ2 LYS A 91 -7.983 -0.531 8.601 1.00 34.31 H new ATOM 0 HZ3 LYS A 91 -6.746 0.574 8.236 1.00 34.31 H new ATOM 1379 N VAL A 92 -3.713 -0.644 2.373 1.00 31.01 N ATOM 1380 CA VAL A 92 -2.627 0.289 2.097 1.00 43.32 C ATOM 1381 C VAL A 92 -3.035 1.721 2.427 1.00 2.43 C ATOM 1382 O VAL A 92 -3.945 2.275 1.812 1.00 64.04 O ATOM 1383 CB VAL A 92 -2.188 0.219 0.621 1.00 75.33 C ATOM 1384 CG1 VAL A 92 -3.386 0.395 -0.301 1.00 35.42 C ATOM 1385 CG2 VAL A 92 -1.124 1.268 0.333 1.00 3.23 C ATOM 0 H VAL A 92 -4.461 -0.637 1.680 1.00 31.01 H new ATOM 0 HA VAL A 92 -1.790 -0.003 2.732 1.00 43.32 H new ATOM 0 HB VAL A 92 -1.757 -0.764 0.433 1.00 75.33 H new ATOM 0 HG11 VAL A 92 -3.057 0.343 -1.339 1.00 35.42 H new ATOM 0 HG12 VAL A 92 -4.111 -0.396 -0.110 1.00 35.42 H new ATOM 0 HG13 VAL A 92 -3.849 1.364 -0.115 1.00 35.42 H new ATOM 0 HG21 VAL A 92 -0.825 1.205 -0.713 1.00 3.23 H new ATOM 0 HG22 VAL A 92 -1.527 2.260 0.536 1.00 3.23 H new ATOM 0 HG23 VAL A 92 -0.257 1.091 0.969 1.00 3.23 H new ATOM 1395 N ALA A 93 -2.354 2.313 3.402 1.00 13.11 N ATOM 1396 CA ALA A 93 -2.643 3.682 3.813 1.00 71.45 C ATOM 1397 C ALA A 93 -1.400 4.560 3.714 1.00 62.34 C ATOM 1398 O ALA A 93 -0.275 4.073 3.824 1.00 13.44 O ATOM 1399 CB ALA A 93 -3.195 3.702 5.232 1.00 5.13 C ATOM 0 H ALA A 93 -1.599 1.867 3.922 1.00 13.11 H new ATOM 0 HA ALA A 93 -3.396 4.087 3.136 1.00 71.45 H new ATOM 0 HB1 ALA A 93 -3.406 4.730 5.526 1.00 5.13 H new ATOM 0 HB2 ALA A 93 -4.114 3.117 5.273 1.00 5.13 H new ATOM 0 HB3 ALA A 93 -2.461 3.273 5.914 1.00 5.13 H new ATOM 1405 N HIS A 94 -1.612 5.855 3.505 1.00 33.00 N ATOM 1406 CA HIS A 94 -0.508 6.802 3.391 1.00 22.23 C ATOM 1407 C HIS A 94 -0.536 7.809 4.536 1.00 13.50 C ATOM 1408 O HIS A 94 -1.602 8.251 4.961 1.00 61.11 O ATOM 1409 CB HIS A 94 -0.572 7.533 2.050 1.00 73.22 C ATOM 1410 CG HIS A 94 -0.369 6.636 0.868 1.00 44.41 C ATOM 1411 ND1 HIS A 94 0.418 6.980 -0.212 1.00 34.41 N ATOM 1412 CD2 HIS A 94 -0.853 5.401 0.599 1.00 21.01 C ATOM 1413 CE1 HIS A 94 0.407 5.996 -1.093 1.00 32.30 C ATOM 1414 NE2 HIS A 94 -0.357 5.026 -0.625 1.00 22.01 N ATOM 0 H HIS A 94 -2.538 6.273 3.411 1.00 33.00 H new ATOM 0 HA HIS A 94 0.426 6.243 3.446 1.00 22.23 H new ATOM 0 HB2 HIS A 94 -1.540 8.025 1.960 1.00 73.22 H new ATOM 0 HB3 HIS A 94 0.186 8.316 2.036 1.00 73.22 H new ATOM 0 HD2 HIS A 94 -1.508 4.819 1.230 1.00 21.01 H new ATOM 0 HE1 HIS A 94 0.933 5.986 -2.036 1.00 32.30 H new ATOM 0 HE2 HIS A 94 -0.548 4.142 -1.096 1.00 22.01 H new ATOM 1421 N SER A 95 0.645 8.168 5.030 1.00 61.40 N ATOM 1422 CA SER A 95 0.756 9.120 6.129 1.00 33.23 C ATOM 1423 C SER A 95 1.682 10.274 5.757 1.00 5.11 C ATOM 1424 O SER A 95 2.845 10.064 5.414 1.00 51.53 O ATOM 1425 CB SER A 95 1.275 8.421 7.387 1.00 75.43 C ATOM 1426 OG SER A 95 0.932 9.149 8.553 1.00 75.31 O ATOM 0 H SER A 95 1.538 7.814 4.687 1.00 61.40 H new ATOM 0 HA SER A 95 -0.237 9.523 6.329 1.00 33.23 H new ATOM 0 HB2 SER A 95 0.858 7.416 7.446 1.00 75.43 H new ATOM 0 HB3 SER A 95 2.358 8.314 7.327 1.00 75.43 H new ATOM 0 HG SER A 95 0.139 9.697 8.375 1.00 75.31 H new ATOM 1431 N ASP A 96 1.157 11.492 5.827 1.00 64.44 N ATOM 1432 CA ASP A 96 1.934 12.681 5.499 1.00 4.33 C ATOM 1433 C ASP A 96 2.649 13.221 6.733 1.00 23.52 C ATOM 1434 O ASP A 96 3.766 13.730 6.644 1.00 5.23 O ATOM 1435 CB ASP A 96 1.029 13.761 4.905 1.00 22.42 C ATOM 1436 CG ASP A 96 1.811 14.955 4.393 1.00 3.43 C ATOM 1437 OD1 ASP A 96 3.039 14.824 4.209 1.00 34.43 O ATOM 1438 OD2 ASP A 96 1.196 16.020 4.177 1.00 62.43 O ATOM 0 H ASP A 96 0.195 11.682 6.108 1.00 64.44 H new ATOM 0 HA ASP A 96 2.685 12.401 4.760 1.00 4.33 H new ATOM 0 HB2 ASP A 96 0.447 13.334 4.088 1.00 22.42 H new ATOM 0 HB3 ASP A 96 0.319 14.093 5.663 1.00 22.42 H new ATOM 1442 N ASP A 97 1.997 13.107 7.885 1.00 74.34 N ATOM 1443 CA ASP A 97 2.569 13.585 9.138 1.00 22.42 C ATOM 1444 C ASP A 97 3.265 12.450 9.885 1.00 43.22 C ATOM 1445 O ASP A 97 4.091 12.687 10.765 1.00 72.44 O ATOM 1446 CB ASP A 97 1.481 14.200 10.019 1.00 33.53 C ATOM 1447 CG ASP A 97 2.053 14.978 11.189 1.00 44.10 C ATOM 1448 OD1 ASP A 97 3.110 15.620 11.013 1.00 32.03 O ATOM 1449 OD2 ASP A 97 1.443 14.946 12.277 1.00 35.42 O ATOM 0 H ASP A 97 1.072 12.688 7.977 1.00 74.34 H new ATOM 0 HA ASP A 97 3.309 14.350 8.903 1.00 22.42 H new ATOM 0 HB2 ASP A 97 0.860 14.862 9.415 1.00 33.53 H new ATOM 0 HB3 ASP A 97 0.832 13.409 10.395 1.00 33.53 H new ATOM 1453 N GLY A 98 2.922 11.216 9.527 1.00 1.43 N ATOM 1454 CA GLY A 98 3.522 10.063 10.173 1.00 53.01 C ATOM 1455 C GLY A 98 2.572 9.377 11.134 1.00 31.31 C ATOM 1456 O GLY A 98 2.652 8.166 11.340 1.00 2.21 O ATOM 0 H GLY A 98 2.240 10.994 8.802 1.00 1.43 H new ATOM 0 HA2 GLY A 98 3.842 9.350 9.413 1.00 53.01 H new ATOM 0 HA3 GLY A 98 4.416 10.377 10.712 1.00 53.01 H new ATOM 1460 N VAL A 99 1.669 10.153 11.726 1.00 1.00 N ATOM 1461 CA VAL A 99 0.698 9.613 12.671 1.00 12.44 C ATOM 1462 C VAL A 99 -0.657 9.404 12.007 1.00 21.41 C ATOM 1463 O VAL A 99 -1.377 8.459 12.329 1.00 51.41 O ATOM 1464 CB VAL A 99 0.525 10.541 13.888 1.00 72.54 C ATOM 1465 CG1 VAL A 99 0.038 11.913 13.448 1.00 54.41 C ATOM 1466 CG2 VAL A 99 -0.434 9.924 14.895 1.00 15.23 C ATOM 0 H VAL A 99 1.590 11.158 11.568 1.00 1.00 H new ATOM 0 HA VAL A 99 1.085 8.652 13.009 1.00 12.44 H new ATOM 0 HB VAL A 99 1.494 10.664 14.371 1.00 72.54 H new ATOM 0 HG11 VAL A 99 -0.078 12.555 14.321 1.00 54.41 H new ATOM 0 HG12 VAL A 99 0.764 12.356 12.766 1.00 54.41 H new ATOM 0 HG13 VAL A 99 -0.922 11.813 12.941 1.00 54.41 H new ATOM 0 HG21 VAL A 99 -0.545 10.593 15.749 1.00 15.23 H new ATOM 0 HG22 VAL A 99 -1.406 9.771 14.425 1.00 15.23 H new ATOM 0 HG23 VAL A 99 -0.039 8.966 15.233 1.00 15.23 H new ATOM 1476 N GLN A 100 -0.999 10.292 11.079 1.00 22.30 N ATOM 1477 CA GLN A 100 -2.270 10.204 10.370 1.00 64.02 C ATOM 1478 C GLN A 100 -2.171 9.241 9.192 1.00 1.55 C ATOM 1479 O GLN A 100 -1.622 9.582 8.143 1.00 34.55 O ATOM 1480 CB GLN A 100 -2.701 11.587 9.879 1.00 63.22 C ATOM 1481 CG GLN A 100 -2.878 12.602 10.997 1.00 42.35 C ATOM 1482 CD GLN A 100 -3.590 13.859 10.536 1.00 31.42 C ATOM 1483 OE1 GLN A 100 -4.605 13.792 9.842 1.00 53.31 O ATOM 1484 NE2 GLN A 100 -3.061 15.014 10.921 1.00 55.00 N ATOM 0 H GLN A 100 -0.414 11.080 10.801 1.00 22.30 H new ATOM 0 HA GLN A 100 -3.019 9.823 11.064 1.00 64.02 H new ATOM 0 HB2 GLN A 100 -1.958 11.961 9.174 1.00 63.22 H new ATOM 0 HB3 GLN A 100 -3.640 11.493 9.333 1.00 63.22 H new ATOM 0 HG2 GLN A 100 -3.443 12.146 11.810 1.00 42.35 H new ATOM 0 HG3 GLN A 100 -1.900 12.869 11.398 1.00 42.35 H new ATOM 0 HE21 GLN A 100 -2.219 15.023 11.496 1.00 55.00 H new ATOM 0 HE22 GLN A 100 -3.497 15.893 10.642 1.00 55.00 H new ATOM 1491 N TRP A 101 -2.703 8.038 9.371 1.00 43.41 N ATOM 1492 CA TRP A 101 -2.674 7.025 8.322 1.00 52.43 C ATOM 1493 C TRP A 101 -3.970 7.033 7.521 1.00 41.24 C ATOM 1494 O TRP A 101 -5.013 6.588 8.001 1.00 60.03 O ATOM 1495 CB TRP A 101 -2.443 5.639 8.928 1.00 52.23 C ATOM 1496 CG TRP A 101 -1.373 5.621 9.978 1.00 24.11 C ATOM 1497 CD1 TRP A 101 -0.238 6.379 10.003 1.00 73.02 C ATOM 1498 CD2 TRP A 101 -1.339 4.802 11.151 1.00 74.44 C ATOM 1499 NE1 TRP A 101 0.501 6.081 11.123 1.00 64.11 N ATOM 1500 CE2 TRP A 101 -0.153 5.117 11.844 1.00 75.20 C ATOM 1501 CE3 TRP A 101 -2.195 3.836 11.687 1.00 44.21 C ATOM 1502 CZ2 TRP A 101 0.196 4.498 13.042 1.00 42.14 C ATOM 1503 CZ3 TRP A 101 -1.848 3.223 12.875 1.00 1.24 C ATOM 1504 CH2 TRP A 101 -0.661 3.556 13.543 1.00 2.32 C ATOM 0 H TRP A 101 -3.160 7.740 10.233 1.00 43.41 H new ATOM 0 HA TRP A 101 -1.851 7.261 7.648 1.00 52.43 H new ATOM 0 HB2 TRP A 101 -3.376 5.281 9.364 1.00 52.23 H new ATOM 0 HB3 TRP A 101 -2.174 4.943 8.133 1.00 52.23 H new ATOM 0 HD1 TRP A 101 0.039 7.106 9.253 1.00 73.02 H new ATOM 0 HE1 TRP A 101 1.392 6.508 11.376 1.00 64.11 H new ATOM 0 HE3 TRP A 101 -3.112 3.573 11.181 1.00 44.21 H new ATOM 0 HZ2 TRP A 101 1.110 4.752 13.557 1.00 42.14 H new ATOM 0 HZ3 TRP A 101 -2.502 2.474 13.297 1.00 1.24 H new ATOM 0 HH2 TRP A 101 -0.418 3.059 14.471 1.00 2.32 H new ATOM 1514 N THR A 102 -3.900 7.543 6.294 1.00 64.32 N ATOM 1515 CA THR A 102 -5.070 7.610 5.426 1.00 13.24 C ATOM 1516 C THR A 102 -5.262 6.306 4.661 1.00 1.33 C ATOM 1517 O THR A 102 -4.513 6.005 3.731 1.00 5.25 O ATOM 1518 CB THR A 102 -4.955 8.771 4.420 1.00 42.03 C ATOM 1519 OG1 THR A 102 -4.832 10.014 5.119 1.00 72.04 O ATOM 1520 CG2 THR A 102 -6.170 8.815 3.505 1.00 72.43 C ATOM 0 H THR A 102 -3.046 7.915 5.880 1.00 64.32 H new ATOM 0 HA THR A 102 -5.933 7.780 6.069 1.00 13.24 H new ATOM 0 HB THR A 102 -4.066 8.609 3.810 1.00 42.03 H new ATOM 0 HG1 THR A 102 -4.758 10.747 4.473 1.00 72.04 H new ATOM 0 HG21 THR A 102 -6.067 9.643 2.803 1.00 72.43 H new ATOM 0 HG22 THR A 102 -6.244 7.878 2.953 1.00 72.43 H new ATOM 0 HG23 THR A 102 -7.071 8.956 4.103 1.00 72.43 H new ATOM 1528 N VAL A 103 -6.270 5.535 5.057 1.00 34.34 N ATOM 1529 CA VAL A 103 -6.561 4.264 4.407 1.00 32.14 C ATOM 1530 C VAL A 103 -7.332 4.474 3.109 1.00 11.51 C ATOM 1531 O VAL A 103 -7.834 5.567 2.842 1.00 15.13 O ATOM 1532 CB VAL A 103 -7.374 3.335 5.329 1.00 45.31 C ATOM 1533 CG1 VAL A 103 -6.649 3.127 6.650 1.00 20.10 C ATOM 1534 CG2 VAL A 103 -8.768 3.900 5.559 1.00 0.33 C ATOM 0 H VAL A 103 -6.899 5.769 5.825 1.00 34.34 H new ATOM 0 HA VAL A 103 -5.602 3.796 4.185 1.00 32.14 H new ATOM 0 HB VAL A 103 -7.476 2.365 4.841 1.00 45.31 H new ATOM 0 HG11 VAL A 103 -7.238 2.468 7.288 1.00 20.10 H new ATOM 0 HG12 VAL A 103 -5.675 2.675 6.463 1.00 20.10 H new ATOM 0 HG13 VAL A 103 -6.514 4.088 7.146 1.00 20.10 H new ATOM 0 HG21 VAL A 103 -9.328 3.231 6.212 1.00 0.33 H new ATOM 0 HG22 VAL A 103 -8.690 4.882 6.026 1.00 0.33 H new ATOM 0 HG23 VAL A 103 -9.285 3.992 4.604 1.00 0.33 H new ATOM 1544 N TYR A 104 -7.424 3.421 2.304 1.00 12.34 N ATOM 1545 CA TYR A 104 -8.132 3.492 1.031 1.00 22.54 C ATOM 1546 C TYR A 104 -9.466 2.757 1.110 1.00 72.31 C ATOM 1547 O TYR A 104 -9.568 1.590 0.733 1.00 72.21 O ATOM 1548 CB TYR A 104 -7.275 2.895 -0.087 1.00 32.32 C ATOM 1549 CG TYR A 104 -6.308 3.884 -0.701 1.00 62.44 C ATOM 1550 CD1 TYR A 104 -5.545 4.726 0.097 1.00 55.35 C ATOM 1551 CD2 TYR A 104 -6.161 3.975 -2.079 1.00 0.43 C ATOM 1552 CE1 TYR A 104 -4.663 5.631 -0.459 1.00 42.10 C ATOM 1553 CE2 TYR A 104 -5.279 4.876 -2.645 1.00 61.42 C ATOM 1554 CZ TYR A 104 -4.533 5.702 -1.831 1.00 2.33 C ATOM 1555 OH TYR A 104 -3.655 6.602 -2.391 1.00 33.34 O ATOM 0 H TYR A 104 -7.017 2.509 2.510 1.00 12.34 H new ATOM 0 HA TYR A 104 -8.327 4.541 0.810 1.00 22.54 H new ATOM 0 HB2 TYR A 104 -6.714 2.049 0.309 1.00 32.32 H new ATOM 0 HB3 TYR A 104 -7.929 2.507 -0.867 1.00 32.32 H new ATOM 0 HD1 TYR A 104 -5.643 4.672 1.171 1.00 55.35 H new ATOM 0 HD2 TYR A 104 -6.746 3.331 -2.719 1.00 0.43 H new ATOM 0 HE1 TYR A 104 -4.078 6.280 0.176 1.00 42.10 H new ATOM 0 HE2 TYR A 104 -5.175 4.933 -3.718 1.00 61.42 H new ATOM 0 HH TYR A 104 -3.684 6.523 -3.367 1.00 33.34 H new ATOM 1632 N LYS A 111 -12.870 -0.038 4.061 1.00 14.11 N ATOM 1633 CA LYS A 111 -12.665 -1.440 3.720 1.00 42.24 C ATOM 1634 C LYS A 111 -11.361 -1.627 2.950 1.00 14.14 C ATOM 1635 O LYS A 111 -11.046 -0.854 2.044 1.00 32.52 O ATOM 1636 CB LYS A 111 -13.839 -1.960 2.887 1.00 62.42 C ATOM 1637 CG LYS A 111 -13.591 -3.327 2.273 1.00 62.43 C ATOM 1638 CD LYS A 111 -13.374 -4.386 3.340 1.00 25.32 C ATOM 1639 CE LYS A 111 -14.038 -5.702 2.962 1.00 33.13 C ATOM 1640 NZ LYS A 111 -13.167 -6.532 2.085 1.00 53.51 N ATOM 0 HA LYS A 111 -12.605 -2.009 4.648 1.00 42.24 H new ATOM 0 HB2 LYS A 111 -14.727 -2.010 3.517 1.00 62.42 H new ATOM 0 HB3 LYS A 111 -14.053 -1.247 2.091 1.00 62.42 H new ATOM 0 HG2 LYS A 111 -14.440 -3.606 1.649 1.00 62.43 H new ATOM 0 HG3 LYS A 111 -12.718 -3.281 1.621 1.00 62.43 H new ATOM 0 HD2 LYS A 111 -12.305 -4.545 3.485 1.00 25.32 H new ATOM 0 HD3 LYS A 111 -13.776 -4.034 4.290 1.00 25.32 H new ATOM 0 HE2 LYS A 111 -14.279 -6.260 3.867 1.00 33.13 H new ATOM 0 HE3 LYS A 111 -14.980 -5.500 2.452 1.00 33.13 H new ATOM 0 HZ1 LYS A 111 -13.656 -7.420 1.850 1.00 53.51 H new ATOM 0 HZ2 LYS A 111 -12.957 -6.010 1.210 1.00 53.51 H new ATOM 0 HZ3 LYS A 111 -12.279 -6.747 2.581 1.00 53.51 H new ATOM 1650 N VAL A 112 -10.606 -2.658 3.315 1.00 32.54 N ATOM 1651 CA VAL A 112 -9.338 -2.949 2.658 1.00 55.10 C ATOM 1652 C VAL A 112 -9.507 -3.026 1.146 1.00 53.43 C ATOM 1653 O VAL A 112 -10.628 -3.014 0.635 1.00 53.42 O ATOM 1654 CB VAL A 112 -8.734 -4.272 3.164 1.00 0.51 C ATOM 1655 CG1 VAL A 112 -8.595 -4.252 4.679 1.00 14.31 C ATOM 1656 CG2 VAL A 112 -9.582 -5.451 2.714 1.00 60.04 C ATOM 0 H VAL A 112 -10.851 -3.306 4.063 1.00 32.54 H new ATOM 0 HA VAL A 112 -8.660 -2.131 2.903 1.00 55.10 H new ATOM 0 HB VAL A 112 -7.739 -4.384 2.734 1.00 0.51 H new ATOM 0 HG11 VAL A 112 -8.167 -5.195 5.018 1.00 14.31 H new ATOM 0 HG12 VAL A 112 -7.942 -3.430 4.974 1.00 14.31 H new ATOM 0 HG13 VAL A 112 -9.577 -4.116 5.133 1.00 14.31 H new ATOM 0 HG21 VAL A 112 -9.140 -6.378 3.080 1.00 60.04 H new ATOM 0 HG22 VAL A 112 -10.591 -5.347 3.113 1.00 60.04 H new ATOM 0 HG23 VAL A 112 -9.624 -5.475 1.625 1.00 60.04 H new ATOM 1666 N PHE A 113 -8.388 -3.104 0.433 1.00 51.23 N ATOM 1667 CA PHE A 113 -8.413 -3.182 -1.023 1.00 32.45 C ATOM 1668 C PHE A 113 -8.146 -4.608 -1.496 1.00 74.15 C ATOM 1669 O PHE A 113 -7.121 -5.202 -1.160 1.00 44.34 O ATOM 1670 CB PHE A 113 -7.374 -2.231 -1.623 1.00 64.34 C ATOM 1671 CG PHE A 113 -7.974 -0.989 -2.220 1.00 23.31 C ATOM 1672 CD1 PHE A 113 -8.953 -0.283 -1.541 1.00 55.44 C ATOM 1673 CD2 PHE A 113 -7.558 -0.530 -3.459 1.00 0.02 C ATOM 1674 CE1 PHE A 113 -9.506 0.861 -2.087 1.00 2.43 C ATOM 1675 CE2 PHE A 113 -8.107 0.612 -4.009 1.00 12.50 C ATOM 1676 CZ PHE A 113 -9.082 1.308 -3.323 1.00 41.11 C ATOM 0 H PHE A 113 -7.453 -3.115 0.840 1.00 51.23 H new ATOM 0 HA PHE A 113 -9.406 -2.886 -1.361 1.00 32.45 H new ATOM 0 HB2 PHE A 113 -6.663 -1.945 -0.847 1.00 64.34 H new ATOM 0 HB3 PHE A 113 -6.811 -2.759 -2.392 1.00 64.34 H new ATOM 0 HD1 PHE A 113 -9.288 -0.630 -0.575 1.00 55.44 H new ATOM 0 HD2 PHE A 113 -6.796 -1.071 -4.001 1.00 0.02 H new ATOM 0 HE1 PHE A 113 -10.268 1.404 -1.548 1.00 2.43 H new ATOM 0 HE2 PHE A 113 -7.774 0.960 -4.975 1.00 12.50 H new ATOM 0 HZ PHE A 113 -9.513 2.201 -3.752 1.00 41.11 H new ATOM 1685 N GLN A 114 -9.077 -5.150 -2.274 1.00 11.13 N ATOM 1686 CA GLN A 114 -8.942 -6.507 -2.792 1.00 60.31 C ATOM 1687 C GLN A 114 -8.581 -6.492 -4.273 1.00 42.45 C ATOM 1688 O GLN A 114 -9.115 -5.695 -5.045 1.00 70.34 O ATOM 1689 CB GLN A 114 -10.241 -7.288 -2.579 1.00 54.35 C ATOM 1690 CG GLN A 114 -11.486 -6.521 -2.998 1.00 65.20 C ATOM 1691 CD GLN A 114 -12.326 -6.082 -1.816 1.00 63.43 C ATOM 1692 OE1 GLN A 114 -11.674 -5.544 -0.792 1.00 41.21 O flip ATOM 1693 NE2 GLN A 114 -13.550 -6.225 -1.822 1.00 25.42 N flip ATOM 0 H GLN A 114 -9.932 -4.672 -2.559 1.00 11.13 H new ATOM 0 HA GLN A 114 -8.137 -6.998 -2.246 1.00 60.31 H new ATOM 0 HB2 GLN A 114 -10.192 -8.220 -3.142 1.00 54.35 H new ATOM 0 HB3 GLN A 114 -10.326 -7.556 -1.526 1.00 54.35 H new ATOM 0 HG2 GLN A 114 -11.191 -5.644 -3.575 1.00 65.20 H new ATOM 0 HG3 GLN A 114 -12.090 -7.147 -3.655 1.00 65.20 H new ATOM 0 HE21 GLN A 114 -14.011 -6.643 -2.630 1.00 25.42 H new ATOM 0 HE22 GLN A 114 -14.102 -5.925 -1.019 1.00 25.42 H new ATOM 1700 N GLY A 115 -7.671 -7.377 -4.665 1.00 12.12 N ATOM 1701 CA GLY A 115 -7.253 -7.448 -6.053 1.00 54.34 C ATOM 1702 C GLY A 115 -6.008 -8.290 -6.242 1.00 1.04 C ATOM 1703 O GLY A 115 -4.953 -7.983 -5.690 1.00 35.41 O ATOM 0 H GLY A 115 -7.215 -8.047 -4.046 1.00 12.12 H new ATOM 0 HA2 GLY A 115 -8.063 -7.864 -6.652 1.00 54.34 H new ATOM 0 HA3 GLY A 115 -7.066 -6.441 -6.425 1.00 54.34 H new ATOM 1707 N ASN A 116 -6.130 -9.358 -7.025 1.00 72.01 N ATOM 1708 CA ASN A 116 -5.005 -10.248 -7.284 1.00 22.11 C ATOM 1709 C ASN A 116 -3.864 -9.501 -7.967 1.00 55.02 C ATOM 1710 O ASN A 116 -2.722 -9.534 -7.507 1.00 12.41 O ATOM 1711 CB ASN A 116 -5.449 -11.427 -8.153 1.00 61.33 C ATOM 1712 CG ASN A 116 -6.268 -12.440 -7.376 1.00 4.32 C ATOM 1713 OD1 ASN A 116 -5.983 -12.725 -6.213 1.00 42.05 O ATOM 1714 ND2 ASN A 116 -7.291 -12.992 -8.020 1.00 34.21 N ATOM 0 H ASN A 116 -6.997 -9.627 -7.491 1.00 72.01 H new ATOM 0 HA ASN A 116 -4.646 -10.625 -6.326 1.00 22.11 H new ATOM 0 HB2 ASN A 116 -6.037 -11.055 -8.992 1.00 61.33 H new ATOM 0 HB3 ASN A 116 -4.570 -11.918 -8.571 1.00 61.33 H new ATOM 0 HD21 ASN A 116 -7.877 -13.682 -7.550 1.00 34.21 H new ATOM 0 HD22 ASN A 116 -7.490 -12.725 -8.984 1.00 34.21 H new ATOM 1720 N LEU A 117 -4.181 -8.826 -9.066 1.00 45.22 N ATOM 1721 CA LEU A 117 -3.183 -8.069 -9.814 1.00 52.11 C ATOM 1722 C LEU A 117 -2.287 -8.999 -10.625 1.00 60.43 C ATOM 1723 O LEU A 117 -2.104 -8.808 -11.826 1.00 3.44 O ATOM 1724 CB LEU A 117 -2.333 -7.227 -8.860 1.00 54.24 C ATOM 1725 CG LEU A 117 -3.087 -6.531 -7.726 1.00 41.54 C ATOM 1726 CD1 LEU A 117 -2.289 -6.600 -6.434 1.00 63.52 C ATOM 1727 CD2 LEU A 117 -3.386 -5.085 -8.094 1.00 53.10 C ATOM 0 H LEU A 117 -5.121 -8.787 -9.459 1.00 45.22 H new ATOM 0 HA LEU A 117 -3.707 -7.408 -10.504 1.00 52.11 H new ATOM 0 HB2 LEU A 117 -1.570 -7.870 -8.421 1.00 54.24 H new ATOM 0 HB3 LEU A 117 -1.813 -6.467 -9.443 1.00 54.24 H new ATOM 0 HG LEU A 117 -4.034 -7.049 -7.572 1.00 41.54 H new ATOM 0 HD11 LEU A 117 -2.841 -6.100 -5.638 1.00 63.52 H new ATOM 0 HD12 LEU A 117 -2.126 -7.643 -6.162 1.00 63.52 H new ATOM 0 HD13 LEU A 117 -1.327 -6.107 -6.574 1.00 63.52 H new ATOM 0 HD21 LEU A 117 -3.923 -4.605 -7.276 1.00 53.10 H new ATOM 0 HD22 LEU A 117 -2.451 -4.555 -8.275 1.00 53.10 H new ATOM 0 HD23 LEU A 117 -3.999 -5.058 -8.995 1.00 53.10 H new ATOM 1738 N ASP A 118 -1.734 -10.007 -9.959 1.00 64.34 N ATOM 1739 CA ASP A 118 -0.860 -10.970 -10.618 1.00 3.23 C ATOM 1740 C ASP A 118 0.413 -10.296 -11.118 1.00 41.31 C ATOM 1741 O ASP A 118 0.471 -9.073 -11.245 1.00 31.40 O ATOM 1742 CB ASP A 118 -1.590 -11.639 -11.784 1.00 12.21 C ATOM 1743 CG ASP A 118 -1.856 -13.110 -11.534 1.00 32.53 C ATOM 1744 OD1 ASP A 118 -0.947 -13.929 -11.782 1.00 51.14 O ATOM 1745 OD2 ASP A 118 -2.975 -13.443 -11.089 1.00 65.32 O ATOM 0 H ASP A 118 -1.876 -10.178 -8.963 1.00 64.34 H new ATOM 0 HA ASP A 118 -0.583 -11.731 -9.888 1.00 3.23 H new ATOM 0 HB2 ASP A 118 -2.536 -11.126 -11.958 1.00 12.21 H new ATOM 0 HB3 ASP A 118 -0.996 -11.529 -12.691 1.00 12.21 H new ATOM 1749 N ASN A 119 1.433 -11.101 -11.400 1.00 62.42 N ATOM 1750 CA ASN A 119 2.705 -10.581 -11.885 1.00 14.14 C ATOM 1751 C ASN A 119 2.614 -10.206 -13.361 1.00 22.24 C ATOM 1752 O ASN A 119 3.205 -9.221 -13.800 1.00 74.02 O ATOM 1753 CB ASN A 119 3.815 -11.614 -11.677 1.00 64.52 C ATOM 1754 CG ASN A 119 5.014 -11.364 -12.571 1.00 70.30 C ATOM 1755 OD1 ASN A 119 5.110 -11.915 -13.667 1.00 23.43 O ATOM 1756 ND2 ASN A 119 5.934 -10.527 -12.106 1.00 24.15 N ATOM 0 H ASN A 119 1.402 -12.116 -11.301 1.00 62.42 H new ATOM 0 HA ASN A 119 2.942 -9.683 -11.315 1.00 14.14 H new ATOM 0 HB2 ASN A 119 4.133 -11.596 -10.635 1.00 64.52 H new ATOM 0 HB3 ASN A 119 3.421 -12.611 -11.873 1.00 64.52 H new ATOM 0 HD21 ASN A 119 6.762 -10.318 -12.664 1.00 24.15 H new ATOM 0 HD22 ASN A 119 5.813 -10.093 -11.191 1.00 24.15 H new ATOM 1762 N ASN A 120 1.869 -11.001 -14.122 1.00 63.24 N ATOM 1763 CA ASN A 120 1.698 -10.753 -15.549 1.00 3.42 C ATOM 1764 C ASN A 120 1.272 -9.311 -15.804 1.00 71.43 C ATOM 1765 O ASN A 120 1.966 -8.559 -16.488 1.00 71.11 O ATOM 1766 CB ASN A 120 0.663 -11.715 -16.135 1.00 70.14 C ATOM 1767 CG ASN A 120 1.073 -13.167 -15.985 1.00 22.31 C ATOM 1768 OD1 ASN A 120 2.161 -13.564 -16.404 1.00 51.42 O ATOM 1769 ND2 ASN A 120 0.201 -13.970 -15.385 1.00 50.14 N ATOM 0 H ASN A 120 1.374 -11.822 -13.774 1.00 63.24 H new ATOM 0 HA ASN A 120 2.657 -10.921 -16.039 1.00 3.42 H new ATOM 0 HB2 ASN A 120 -0.296 -11.558 -15.641 1.00 70.14 H new ATOM 0 HB3 ASN A 120 0.518 -11.489 -17.191 1.00 70.14 H new ATOM 0 HD21 ASN A 120 0.422 -14.957 -15.256 1.00 50.14 H new ATOM 0 HD22 ASN A 120 -0.689 -13.599 -15.053 1.00 50.14 H new ATOM 1775 N SER A 121 0.124 -8.933 -15.249 1.00 15.33 N ATOM 1776 CA SER A 121 -0.397 -7.581 -15.418 1.00 63.33 C ATOM 1777 C SER A 121 -0.290 -6.791 -14.118 1.00 50.25 C ATOM 1778 O SER A 121 -0.330 -7.360 -13.026 1.00 45.30 O ATOM 1779 CB SER A 121 -1.854 -7.629 -15.881 1.00 45.24 C ATOM 1780 OG SER A 121 -2.212 -8.934 -16.304 1.00 43.23 O ATOM 0 H SER A 121 -0.462 -9.543 -14.679 1.00 15.33 H new ATOM 0 HA SER A 121 0.202 -7.079 -16.177 1.00 63.33 H new ATOM 0 HB2 SER A 121 -2.508 -7.315 -15.068 1.00 45.24 H new ATOM 0 HB3 SER A 121 -2.002 -6.925 -16.699 1.00 45.24 H new ATOM 0 HG SER A 121 -3.148 -8.939 -16.593 1.00 43.23 H new ATOM 1785 N HIS A 122 -0.156 -5.475 -14.242 1.00 11.41 N ATOM 1786 CA HIS A 122 -0.043 -4.604 -13.077 1.00 41.02 C ATOM 1787 C HIS A 122 -1.347 -3.849 -12.837 1.00 35.20 C ATOM 1788 O HIS A 122 -2.332 -4.046 -13.549 1.00 35.51 O ATOM 1789 CB HIS A 122 1.106 -3.613 -13.263 1.00 50.54 C ATOM 1790 CG HIS A 122 1.110 -2.943 -14.604 1.00 63.53 C ATOM 1791 ND1 HIS A 122 -0.044 -2.646 -15.299 1.00 15.04 N ATOM 1792 CD2 HIS A 122 2.134 -2.513 -15.375 1.00 13.31 C ATOM 1793 CE1 HIS A 122 0.271 -2.062 -16.441 1.00 31.14 C ATOM 1794 NE2 HIS A 122 1.588 -1.969 -16.511 1.00 43.23 N ATOM 0 H HIS A 122 -0.123 -4.988 -15.137 1.00 11.41 H new ATOM 0 HA HIS A 122 0.163 -5.227 -12.207 1.00 41.02 H new ATOM 0 HB2 HIS A 122 1.047 -2.851 -12.486 1.00 50.54 H new ATOM 0 HB3 HIS A 122 2.052 -4.136 -13.125 1.00 50.54 H new ATOM 0 HD2 HIS A 122 3.186 -2.584 -15.141 1.00 13.31 H new ATOM 0 HE1 HIS A 122 -0.428 -1.719 -17.190 1.00 31.14 H new ATOM 0 HE2 HIS A 122 2.113 -1.560 -17.284 1.00 43.23 H new ATOM 1801 N LYS A 123 -1.347 -2.985 -11.827 1.00 51.33 N ATOM 1802 CA LYS A 123 -2.528 -2.199 -11.491 1.00 64.24 C ATOM 1803 C LYS A 123 -2.135 -0.828 -10.952 1.00 30.12 C ATOM 1804 O LYS A 123 -1.499 -0.721 -9.902 1.00 44.14 O ATOM 1805 CB LYS A 123 -3.382 -2.940 -10.458 1.00 62.12 C ATOM 1806 CG LYS A 123 -4.867 -2.643 -10.572 1.00 64.32 C ATOM 1807 CD LYS A 123 -5.224 -1.324 -9.910 1.00 74.50 C ATOM 1808 CE LYS A 123 -6.719 -1.052 -9.978 1.00 63.14 C ATOM 1809 NZ LYS A 123 -7.207 -0.323 -8.776 1.00 73.51 N ATOM 0 H LYS A 123 -0.541 -2.812 -11.226 1.00 51.33 H new ATOM 0 HA LYS A 123 -3.110 -2.058 -12.401 1.00 64.24 H new ATOM 0 HB2 LYS A 123 -3.225 -4.013 -10.571 1.00 62.12 H new ATOM 0 HB3 LYS A 123 -3.042 -2.672 -9.458 1.00 62.12 H new ATOM 0 HG2 LYS A 123 -5.153 -2.613 -11.623 1.00 64.32 H new ATOM 0 HG3 LYS A 123 -5.437 -3.449 -10.110 1.00 64.32 H new ATOM 0 HD2 LYS A 123 -4.903 -1.340 -8.868 1.00 74.50 H new ATOM 0 HD3 LYS A 123 -4.683 -0.513 -10.398 1.00 74.50 H new ATOM 0 HE2 LYS A 123 -6.941 -0.468 -10.871 1.00 63.14 H new ATOM 0 HE3 LYS A 123 -7.256 -1.996 -10.072 1.00 63.14 H new ATOM 0 HZ1 LYS A 123 -8.230 -0.157 -8.862 1.00 73.51 H new ATOM 0 HZ2 LYS A 123 -7.018 -0.891 -7.925 1.00 73.51 H new ATOM 0 HZ3 LYS A 123 -6.714 0.589 -8.699 1.00 73.51 H new ATOM 1819 N LYS A 124 -2.518 0.219 -11.675 1.00 74.43 N ATOM 1820 CA LYS A 124 -2.208 1.585 -11.267 1.00 42.00 C ATOM 1821 C LYS A 124 -3.485 2.396 -11.070 1.00 34.41 C ATOM 1822 O LYS A 124 -4.453 2.237 -11.811 1.00 35.41 O ATOM 1823 CB LYS A 124 -1.319 2.261 -12.313 1.00 51.11 C ATOM 1824 CG LYS A 124 -2.064 2.674 -13.570 1.00 44.33 C ATOM 1825 CD LYS A 124 -1.203 2.506 -14.811 1.00 34.21 C ATOM 1826 CE LYS A 124 -0.726 3.849 -15.343 1.00 21.03 C ATOM 1827 NZ LYS A 124 -1.721 4.466 -16.263 1.00 41.51 N ATOM 0 H LYS A 124 -3.044 0.148 -12.546 1.00 74.43 H new ATOM 0 HA LYS A 124 -1.675 1.543 -10.317 1.00 42.00 H new ATOM 0 HB2 LYS A 124 -0.856 3.142 -11.869 1.00 51.11 H new ATOM 0 HB3 LYS A 124 -0.512 1.581 -12.586 1.00 51.11 H new ATOM 0 HG2 LYS A 124 -2.969 2.075 -13.671 1.00 44.33 H new ATOM 0 HG3 LYS A 124 -2.378 3.714 -13.482 1.00 44.33 H new ATOM 0 HD2 LYS A 124 -0.342 1.880 -14.576 1.00 34.21 H new ATOM 0 HD3 LYS A 124 -1.772 1.989 -15.583 1.00 34.21 H new ATOM 0 HE2 LYS A 124 -0.536 4.524 -14.508 1.00 21.03 H new ATOM 0 HE3 LYS A 124 0.220 3.717 -15.867 1.00 21.03 H new ATOM 0 HZ1 LYS A 124 -1.359 5.379 -16.604 1.00 41.51 H new ATOM 0 HZ2 LYS A 124 -1.884 3.834 -17.073 1.00 41.51 H new ATOM 0 HZ3 LYS A 124 -2.616 4.616 -15.756 1.00 41.51 H new ATOM 1837 N ASN A 125 -3.476 3.266 -10.064 1.00 71.04 N ATOM 1838 CA ASN A 125 -4.634 4.104 -9.770 1.00 62.34 C ATOM 1839 C ASN A 125 -4.345 5.566 -10.095 1.00 31.45 C ATOM 1840 O ASN A 125 -3.227 6.046 -9.900 1.00 23.10 O ATOM 1841 CB ASN A 125 -5.028 3.965 -8.297 1.00 43.13 C ATOM 1842 CG ASN A 125 -6.517 4.146 -8.079 1.00 72.34 C ATOM 1843 OD1 ASN A 125 -7.200 4.789 -8.877 1.00 24.45 O ATOM 1844 ND2 ASN A 125 -7.029 3.579 -6.992 1.00 34.20 N ATOM 0 H ASN A 125 -2.682 3.409 -9.440 1.00 71.04 H new ATOM 0 HA ASN A 125 -5.462 3.769 -10.395 1.00 62.34 H new ATOM 0 HB2 ASN A 125 -4.727 2.982 -7.934 1.00 43.13 H new ATOM 0 HB3 ASN A 125 -4.485 4.703 -7.707 1.00 43.13 H new ATOM 0 HD21 ASN A 125 -8.025 3.668 -6.792 1.00 34.20 H new ATOM 0 HD22 ASN A 125 -6.426 3.055 -6.358 1.00 34.20 H new ATOM 1850 N ILE A 126 -5.358 6.267 -10.590 1.00 75.14 N ATOM 1851 CA ILE A 126 -5.213 7.676 -10.940 1.00 21.43 C ATOM 1852 C ILE A 126 -5.102 8.544 -9.691 1.00 70.42 C ATOM 1853 O ILE A 126 -5.184 8.047 -8.567 1.00 11.32 O ATOM 1854 CB ILE A 126 -6.398 8.169 -11.791 1.00 13.31 C ATOM 1855 CG1 ILE A 126 -5.931 9.236 -12.783 1.00 14.34 C ATOM 1856 CG2 ILE A 126 -7.501 8.715 -10.898 1.00 11.02 C ATOM 1857 CD1 ILE A 126 -6.147 8.851 -14.230 1.00 53.40 C ATOM 0 H ILE A 126 -6.288 5.884 -10.758 1.00 75.14 H new ATOM 0 HA ILE A 126 -4.296 7.764 -11.523 1.00 21.43 H new ATOM 0 HB ILE A 126 -6.798 7.326 -12.354 1.00 13.31 H new ATOM 0 HG12 ILE A 126 -6.461 10.166 -12.580 1.00 14.34 H new ATOM 0 HG13 ILE A 126 -4.871 9.432 -12.622 1.00 14.34 H new ATOM 0 HG21 ILE A 126 -8.331 9.059 -11.515 1.00 11.02 H new ATOM 0 HG22 ILE A 126 -7.849 7.929 -10.227 1.00 11.02 H new ATOM 0 HG23 ILE A 126 -7.115 9.548 -10.311 1.00 11.02 H new ATOM 0 HD11 ILE A 126 -5.793 9.654 -14.877 1.00 53.40 H new ATOM 0 HD12 ILE A 126 -5.594 7.938 -14.450 1.00 53.40 H new ATOM 0 HD13 ILE A 126 -7.209 8.684 -14.407 1.00 53.40 H new ATOM 1868 N PHE A 127 -4.919 9.844 -9.895 1.00 44.51 N ATOM 1869 CA PHE A 127 -4.798 10.783 -8.786 1.00 43.33 C ATOM 1870 C PHE A 127 -6.159 11.055 -8.153 1.00 42.15 C ATOM 1871 O PHE A 127 -6.641 12.187 -8.157 1.00 54.35 O ATOM 1872 CB PHE A 127 -4.175 12.094 -9.266 1.00 53.41 C ATOM 1873 CG PHE A 127 -4.637 12.514 -10.633 1.00 34.53 C ATOM 1874 CD1 PHE A 127 -5.822 13.214 -10.793 1.00 73.11 C ATOM 1875 CD2 PHE A 127 -3.887 12.209 -11.757 1.00 24.33 C ATOM 1876 CE1 PHE A 127 -6.250 13.600 -12.049 1.00 21.32 C ATOM 1877 CE2 PHE A 127 -4.310 12.592 -13.015 1.00 13.21 C ATOM 1878 CZ PHE A 127 -5.493 13.290 -13.161 1.00 63.22 C ATOM 0 H PHE A 127 -4.851 10.272 -10.819 1.00 44.51 H new ATOM 0 HA PHE A 127 -4.150 10.335 -8.033 1.00 43.33 H new ATOM 0 HB2 PHE A 127 -4.414 12.883 -8.553 1.00 53.41 H new ATOM 0 HB3 PHE A 127 -3.090 11.989 -9.274 1.00 53.41 H new ATOM 0 HD1 PHE A 127 -6.418 13.461 -9.927 1.00 73.11 H new ATOM 0 HD2 PHE A 127 -2.960 11.665 -11.648 1.00 24.33 H new ATOM 0 HE1 PHE A 127 -7.176 14.144 -12.161 1.00 21.32 H new ATOM 0 HE2 PHE A 127 -3.717 12.346 -13.883 1.00 13.21 H new ATOM 0 HZ PHE A 127 -5.825 13.593 -14.143 1.00 63.22 H new ATOM 1887 N GLU A 128 -6.774 10.008 -7.612 1.00 51.31 N ATOM 1888 CA GLU A 128 -8.081 10.134 -6.977 1.00 0.34 C ATOM 1889 C GLU A 128 -8.022 11.104 -5.800 1.00 22.31 C ATOM 1890 O GLU A 128 -9.040 11.660 -5.388 1.00 73.14 O ATOM 1891 CB GLU A 128 -8.575 8.767 -6.502 1.00 35.30 C ATOM 1892 CG GLU A 128 -10.041 8.510 -6.805 1.00 41.15 C ATOM 1893 CD GLU A 128 -10.409 7.043 -6.709 1.00 64.20 C ATOM 1894 OE1 GLU A 128 -9.998 6.392 -5.726 1.00 62.41 O ATOM 1895 OE2 GLU A 128 -11.108 6.545 -7.617 1.00 12.12 O ATOM 0 H GLU A 128 -6.389 9.064 -7.601 1.00 51.31 H new ATOM 0 HA GLU A 128 -8.780 10.528 -7.715 1.00 0.34 H new ATOM 0 HB2 GLU A 128 -7.974 7.989 -6.973 1.00 35.30 H new ATOM 0 HB3 GLU A 128 -8.415 8.686 -5.427 1.00 35.30 H new ATOM 0 HG2 GLU A 128 -10.657 9.081 -6.110 1.00 41.15 H new ATOM 0 HG3 GLU A 128 -10.270 8.873 -7.807 1.00 41.15 H new ATOM 1900 N LYS A 129 -6.823 11.300 -5.263 1.00 74.44 N ATOM 1901 CA LYS A 129 -6.629 12.202 -4.133 1.00 72.15 C ATOM 1902 C LYS A 129 -5.145 12.430 -3.867 1.00 10.40 C ATOM 1903 O LYS A 129 -4.564 11.877 -2.933 1.00 61.13 O ATOM 1904 CB LYS A 129 -7.301 11.637 -2.880 1.00 62.32 C ATOM 1905 CG LYS A 129 -8.665 12.242 -2.595 1.00 51.50 C ATOM 1906 CD LYS A 129 -8.891 12.429 -1.104 1.00 2.12 C ATOM 1907 CE LYS A 129 -9.081 13.896 -0.748 1.00 44.04 C ATOM 1908 NZ LYS A 129 -7.801 14.653 -0.815 1.00 1.54 N ATOM 0 H LYS A 129 -5.971 10.847 -5.592 1.00 74.44 H new ATOM 0 HA LYS A 129 -7.087 13.159 -4.383 1.00 72.15 H new ATOM 0 HB2 LYS A 129 -7.408 10.558 -2.991 1.00 62.32 H new ATOM 0 HB3 LYS A 129 -6.651 11.807 -2.022 1.00 62.32 H new ATOM 0 HG2 LYS A 129 -8.750 13.204 -3.100 1.00 51.50 H new ATOM 0 HG3 LYS A 129 -9.443 11.597 -3.004 1.00 51.50 H new ATOM 0 HD2 LYS A 129 -9.769 11.862 -0.794 1.00 2.12 H new ATOM 0 HD3 LYS A 129 -8.041 12.027 -0.553 1.00 2.12 H new ATOM 0 HE2 LYS A 129 -9.804 14.344 -1.429 1.00 44.04 H new ATOM 0 HE3 LYS A 129 -9.498 13.975 0.256 1.00 44.04 H new ATOM 0 HZ1 LYS A 129 -7.973 15.648 -0.566 1.00 1.54 H new ATOM 0 HZ2 LYS A 129 -7.119 14.241 -0.147 1.00 1.54 H new ATOM 0 HZ3 LYS A 129 -7.416 14.599 -1.780 1.00 1.54 H new ATOM 1918 N PRO A 130 -4.514 13.265 -4.707 1.00 3.22 N ATOM 1919 CA PRO A 130 -3.089 13.586 -4.581 1.00 54.35 C ATOM 1920 C PRO A 130 -2.793 14.441 -3.353 1.00 53.34 C ATOM 1921 O PRO A 130 -3.615 15.261 -2.942 1.00 63.12 O ATOM 1922 CB PRO A 130 -2.788 14.369 -5.862 1.00 1.23 C ATOM 1923 CG PRO A 130 -4.096 14.954 -6.265 1.00 50.35 C ATOM 1924 CD PRO A 130 -5.143 13.960 -5.843 1.00 12.10 C ATOM 0 HA PRO A 130 -2.479 12.691 -4.458 1.00 54.35 H new ATOM 0 HB2 PRO A 130 -2.044 15.146 -5.685 1.00 1.23 H new ATOM 0 HB3 PRO A 130 -2.389 13.717 -6.640 1.00 1.23 H new ATOM 0 HG2 PRO A 130 -4.257 15.918 -5.783 1.00 50.35 H new ATOM 0 HG3 PRO A 130 -4.132 15.125 -7.341 1.00 50.35 H new ATOM 0 HD2 PRO A 130 -6.070 14.453 -5.550 1.00 12.10 H new ATOM 0 HD3 PRO A 130 -5.390 13.270 -6.650 1.00 12.10 H new ATOM 1929 N PHE A 131 -1.615 14.245 -2.771 1.00 5.21 N ATOM 1930 CA PHE A 131 -1.211 14.998 -1.589 1.00 24.31 C ATOM 1931 C PHE A 131 0.198 14.609 -1.151 1.00 63.20 C ATOM 1932 O PHE A 131 0.744 13.603 -1.604 1.00 4.12 O ATOM 1933 CB PHE A 131 -2.198 14.758 -0.444 1.00 11.42 C ATOM 1934 CG PHE A 131 -2.029 13.423 0.223 1.00 41.21 C ATOM 1935 CD1 PHE A 131 -2.262 12.250 -0.477 1.00 72.30 C ATOM 1936 CD2 PHE A 131 -1.636 13.341 1.549 1.00 12.41 C ATOM 1937 CE1 PHE A 131 -2.108 11.020 0.136 1.00 52.33 C ATOM 1938 CE2 PHE A 131 -1.480 12.115 2.166 1.00 62.12 C ATOM 1939 CZ PHE A 131 -1.716 10.952 1.458 1.00 35.34 C ATOM 0 H PHE A 131 -0.923 13.571 -3.098 1.00 5.21 H new ATOM 0 HA PHE A 131 -1.213 16.057 -1.846 1.00 24.31 H new ATOM 0 HB2 PHE A 131 -2.077 15.545 0.300 1.00 11.42 H new ATOM 0 HB3 PHE A 131 -3.215 14.837 -0.829 1.00 11.42 H new ATOM 0 HD1 PHE A 131 -2.567 12.297 -1.512 1.00 72.30 H new ATOM 0 HD2 PHE A 131 -1.449 14.247 2.107 1.00 12.41 H new ATOM 0 HE1 PHE A 131 -2.294 10.113 -0.419 1.00 52.33 H new ATOM 0 HE2 PHE A 131 -1.174 12.065 3.201 1.00 62.12 H new ATOM 0 HZ PHE A 131 -1.594 9.992 1.938 1.00 35.34 H new ATOM 1948 N MET A 132 0.780 15.413 -0.268 1.00 44.01 N ATOM 1949 CA MET A 132 2.125 15.153 0.231 1.00 60.21 C ATOM 1950 C MET A 132 2.136 13.942 1.159 1.00 61.21 C ATOM 1951 O MET A 132 1.209 13.741 1.944 1.00 43.13 O ATOM 1952 CB MET A 132 2.664 16.380 0.970 1.00 1.43 C ATOM 1953 CG MET A 132 3.183 17.467 0.043 1.00 41.43 C ATOM 1954 SD MET A 132 2.473 19.085 0.404 1.00 34.43 S ATOM 1955 CE MET A 132 1.246 19.214 -0.894 1.00 51.43 C ATOM 0 H MET A 132 0.342 16.250 0.117 1.00 44.01 H new ATOM 0 HA MET A 132 2.768 14.940 -0.623 1.00 60.21 H new ATOM 0 HB2 MET A 132 1.873 16.794 1.595 1.00 1.43 H new ATOM 0 HB3 MET A 132 3.468 16.068 1.637 1.00 1.43 H new ATOM 0 HG2 MET A 132 4.268 17.524 0.128 1.00 41.43 H new ATOM 0 HG3 MET A 132 2.957 17.198 -0.989 1.00 41.43 H new ATOM 0 HE1 MET A 132 0.720 20.165 -0.805 1.00 51.43 H new ATOM 0 HE2 MET A 132 1.737 19.161 -1.866 1.00 51.43 H new ATOM 0 HE3 MET A 132 0.532 18.395 -0.803 1.00 51.43 H new ATOM 1963 N ALA A 133 3.189 13.137 1.063 1.00 15.33 N ATOM 1964 CA ALA A 133 3.320 11.947 1.894 1.00 75.45 C ATOM 1965 C ALA A 133 4.744 11.799 2.421 1.00 63.15 C ATOM 1966 O ALA A 133 5.705 12.172 1.749 1.00 2.14 O ATOM 1967 CB ALA A 133 2.913 10.708 1.111 1.00 41.34 C ATOM 0 H ALA A 133 3.964 13.288 0.417 1.00 15.33 H new ATOM 0 HA ALA A 133 2.654 12.057 2.750 1.00 75.45 H new ATOM 0 HB1 ALA A 133 3.016 9.827 1.745 1.00 41.34 H new ATOM 0 HB2 ALA A 133 1.876 10.805 0.790 1.00 41.34 H new ATOM 0 HB3 ALA A 133 3.555 10.603 0.236 1.00 41.34 H new ATOM 1973 N ARG A 134 4.870 11.254 3.626 1.00 11.12 N ATOM 1974 CA ARG A 134 6.178 11.059 4.242 1.00 64.35 C ATOM 1975 C ARG A 134 6.457 9.575 4.466 1.00 62.44 C ATOM 1976 O ARG A 134 7.609 9.141 4.450 1.00 61.24 O ATOM 1977 CB ARG A 134 6.254 11.809 5.573 1.00 3.53 C ATOM 1978 CG ARG A 134 7.480 12.698 5.700 1.00 34.33 C ATOM 1979 CD ARG A 134 8.088 12.614 7.092 1.00 62.24 C ATOM 1980 NE ARG A 134 8.436 11.243 7.455 1.00 0.41 N ATOM 1981 CZ ARG A 134 8.881 10.891 8.657 1.00 11.52 C ATOM 1982 NH1 ARG A 134 9.029 11.805 9.606 1.00 61.11 N ATOM 1983 NH2 ARG A 134 9.178 9.623 8.910 1.00 74.13 N ATOM 0 H ARG A 134 4.084 10.940 4.195 1.00 11.12 H new ATOM 0 HA ARG A 134 6.934 11.456 3.565 1.00 64.35 H new ATOM 0 HB2 ARG A 134 5.359 12.420 5.688 1.00 3.53 H new ATOM 0 HB3 ARG A 134 6.253 11.086 6.389 1.00 3.53 H new ATOM 0 HG2 ARG A 134 8.223 12.403 4.959 1.00 34.33 H new ATOM 0 HG3 ARG A 134 7.206 13.730 5.483 1.00 34.33 H new ATOM 0 HD2 ARG A 134 8.980 13.238 7.136 1.00 62.24 H new ATOM 0 HD3 ARG A 134 7.383 13.014 7.820 1.00 62.24 H new ATOM 0 HE ARG A 134 8.332 10.516 6.747 1.00 0.41 H new ATOM 0 HH11 ARG A 134 8.801 12.781 9.414 1.00 61.11 H new ATOM 0 HH12 ARG A 134 9.371 11.533 10.528 1.00 61.11 H new ATOM 0 HH21 ARG A 134 9.065 8.918 8.182 1.00 74.13 H new ATOM 0 HH22 ARG A 134 9.519 9.353 9.833 1.00 74.13 H new ATOM 1994 N TYR A 135 5.395 8.804 4.674 1.00 2.31 N ATOM 1995 CA TYR A 135 5.526 7.369 4.904 1.00 14.22 C ATOM 1996 C TYR A 135 4.169 6.679 4.818 1.00 23.35 C ATOM 1997 O TYR A 135 3.176 7.164 5.360 1.00 33.13 O ATOM 1998 CB TYR A 135 6.160 7.107 6.271 1.00 63.22 C ATOM 1999 CG TYR A 135 5.290 6.283 7.194 1.00 44.44 C ATOM 2000 CD1 TYR A 135 5.372 4.896 7.205 1.00 52.42 C ATOM 2001 CD2 TYR A 135 4.385 6.893 8.054 1.00 35.24 C ATOM 2002 CE1 TYR A 135 4.579 4.141 8.046 1.00 61.33 C ATOM 2003 CE2 TYR A 135 3.588 6.145 8.900 1.00 13.35 C ATOM 2004 CZ TYR A 135 3.689 4.769 8.891 1.00 61.31 C ATOM 2005 OH TYR A 135 2.897 4.020 9.732 1.00 42.25 O ATOM 0 H TYR A 135 4.435 9.148 4.688 1.00 2.31 H new ATOM 0 HA TYR A 135 6.172 6.958 4.128 1.00 14.22 H new ATOM 0 HB2 TYR A 135 7.111 6.595 6.129 1.00 63.22 H new ATOM 0 HB3 TYR A 135 6.380 8.062 6.749 1.00 63.22 H new ATOM 0 HD1 TYR A 135 6.068 4.400 6.544 1.00 52.42 H new ATOM 0 HD2 TYR A 135 4.303 7.970 8.062 1.00 35.24 H new ATOM 0 HE1 TYR A 135 4.656 3.064 8.042 1.00 61.33 H new ATOM 0 HE2 TYR A 135 2.891 6.634 9.564 1.00 13.35 H new ATOM 0 HH TYR A 135 2.220 4.597 10.143 1.00 42.25 H new ATOM 2014 N VAL A 136 4.135 5.539 4.134 1.00 72.11 N ATOM 2015 CA VAL A 136 2.901 4.778 3.977 1.00 13.25 C ATOM 2016 C VAL A 136 3.006 3.417 4.657 1.00 71.32 C ATOM 2017 O VAL A 136 4.097 2.867 4.804 1.00 74.15 O ATOM 2018 CB VAL A 136 2.552 4.573 2.491 1.00 21.04 C ATOM 2019 CG1 VAL A 136 2.621 5.893 1.740 1.00 44.33 C ATOM 2020 CG2 VAL A 136 3.481 3.544 1.864 1.00 14.55 C ATOM 0 H VAL A 136 4.948 5.123 3.680 1.00 72.11 H new ATOM 0 HA VAL A 136 2.109 5.358 4.450 1.00 13.25 H new ATOM 0 HB VAL A 136 1.531 4.197 2.423 1.00 21.04 H new ATOM 0 HG11 VAL A 136 2.371 5.729 0.692 1.00 44.33 H new ATOM 0 HG12 VAL A 136 1.912 6.597 2.176 1.00 44.33 H new ATOM 0 HG13 VAL A 136 3.629 6.301 1.813 1.00 44.33 H new ATOM 0 HG21 VAL A 136 3.221 3.411 0.814 1.00 14.55 H new ATOM 0 HG22 VAL A 136 4.512 3.890 1.941 1.00 14.55 H new ATOM 0 HG23 VAL A 136 3.377 2.593 2.387 1.00 14.55 H new ATOM 2030 N ARG A 137 1.862 2.878 5.068 1.00 21.01 N ATOM 2031 CA ARG A 137 1.825 1.582 5.733 1.00 24.42 C ATOM 2032 C ARG A 137 0.862 0.634 5.023 1.00 52.42 C ATOM 2033 O ARG A 137 -0.247 1.020 4.654 1.00 41.34 O ATOM 2034 CB ARG A 137 1.409 1.746 7.196 1.00 22.41 C ATOM 2035 CG ARG A 137 1.566 0.478 8.020 1.00 54.31 C ATOM 2036 CD ARG A 137 0.463 0.348 9.058 1.00 71.23 C ATOM 2037 NE ARG A 137 0.991 0.035 10.383 1.00 71.12 N ATOM 2038 CZ ARG A 137 0.231 -0.115 11.461 1.00 74.24 C ATOM 2039 NH1 ARG A 137 -1.086 0.019 11.372 1.00 42.13 N ATOM 2040 NH2 ARG A 137 0.785 -0.400 12.633 1.00 50.51 N ATOM 0 H ARG A 137 0.950 3.319 4.952 1.00 21.01 H new ATOM 0 HA ARG A 137 2.826 1.153 5.693 1.00 24.42 H new ATOM 0 HB2 ARG A 137 2.005 2.539 7.648 1.00 22.41 H new ATOM 0 HB3 ARG A 137 0.368 2.068 7.235 1.00 22.41 H new ATOM 0 HG2 ARG A 137 1.551 -0.390 7.361 1.00 54.31 H new ATOM 0 HG3 ARG A 137 2.536 0.484 8.517 1.00 54.31 H new ATOM 0 HD2 ARG A 137 -0.103 1.279 9.104 1.00 71.23 H new ATOM 0 HD3 ARG A 137 -0.233 -0.433 8.751 1.00 71.23 H new ATOM 0 HE ARG A 137 2.000 -0.074 10.486 1.00 71.12 H new ATOM 0 HH11 ARG A 137 -1.517 0.238 10.474 1.00 42.13 H new ATOM 0 HH12 ARG A 137 -1.668 -0.097 12.202 1.00 42.13 H new ATOM 0 HH21 ARG A 137 1.797 -0.504 12.707 1.00 50.51 H new ATOM 0 HH22 ARG A 137 0.199 -0.515 13.460 1.00 50.51 H new ATOM 2051 N VAL A 138 1.294 -0.609 4.834 1.00 55.12 N ATOM 2052 CA VAL A 138 0.471 -1.612 4.168 1.00 12.40 C ATOM 2053 C VAL A 138 0.376 -2.885 5.001 1.00 50.11 C ATOM 2054 O VAL A 138 1.375 -3.365 5.538 1.00 71.12 O ATOM 2055 CB VAL A 138 1.030 -1.962 2.776 1.00 5.04 C ATOM 2056 CG1 VAL A 138 0.077 -2.889 2.036 1.00 35.51 C ATOM 2057 CG2 VAL A 138 1.288 -0.697 1.973 1.00 50.44 C ATOM 0 H VAL A 138 2.209 -0.946 5.133 1.00 55.12 H new ATOM 0 HA VAL A 138 -0.524 -1.181 4.054 1.00 12.40 H new ATOM 0 HB VAL A 138 1.979 -2.483 2.904 1.00 5.04 H new ATOM 0 HG11 VAL A 138 0.488 -3.126 1.055 1.00 35.51 H new ATOM 0 HG12 VAL A 138 -0.052 -3.809 2.607 1.00 35.51 H new ATOM 0 HG13 VAL A 138 -0.889 -2.398 1.916 1.00 35.51 H new ATOM 0 HG21 VAL A 138 1.683 -0.963 0.992 1.00 50.44 H new ATOM 0 HG22 VAL A 138 0.355 -0.146 1.852 1.00 50.44 H new ATOM 0 HG23 VAL A 138 2.011 -0.074 2.499 1.00 50.44 H new ATOM 2067 N LEU A 139 -0.832 -3.429 5.104 1.00 53.11 N ATOM 2068 CA LEU A 139 -1.058 -4.649 5.872 1.00 51.44 C ATOM 2069 C LEU A 139 -1.949 -5.619 5.101 1.00 34.10 C ATOM 2070 O LEU A 139 -3.177 -5.535 5.139 1.00 71.31 O ATOM 2071 CB LEU A 139 -1.696 -4.314 7.221 1.00 10.13 C ATOM 2072 CG LEU A 139 -1.680 -5.430 8.266 1.00 14.02 C ATOM 2073 CD1 LEU A 139 -1.745 -4.848 9.669 1.00 31.34 C ATOM 2074 CD2 LEU A 139 -2.832 -6.396 8.033 1.00 1.13 C ATOM 0 H LEU A 139 -1.669 -3.045 4.666 1.00 53.11 H new ATOM 0 HA LEU A 139 -0.093 -5.127 6.042 1.00 51.44 H new ATOM 0 HB2 LEU A 139 -1.184 -3.446 7.637 1.00 10.13 H new ATOM 0 HB3 LEU A 139 -2.731 -4.020 7.048 1.00 10.13 H new ATOM 0 HG LEU A 139 -0.745 -5.981 8.167 1.00 14.02 H new ATOM 0 HD11 LEU A 139 -1.733 -5.657 10.399 1.00 31.34 H new ATOM 0 HD12 LEU A 139 -0.886 -4.198 9.833 1.00 31.34 H new ATOM 0 HD13 LEU A 139 -2.663 -4.272 9.782 1.00 31.34 H new ATOM 0 HD21 LEU A 139 -2.805 -7.183 8.786 1.00 1.13 H new ATOM 0 HD22 LEU A 139 -3.778 -5.859 8.104 1.00 1.13 H new ATOM 0 HD23 LEU A 139 -2.740 -6.839 7.041 1.00 1.13 H new ATOM 2085 N PRO A 140 -1.318 -6.562 4.388 1.00 45.13 N ATOM 2086 CA PRO A 140 -2.035 -7.568 3.598 1.00 23.45 C ATOM 2087 C PRO A 140 -2.766 -8.580 4.473 1.00 30.35 C ATOM 2088 O PRO A 140 -2.270 -8.976 5.529 1.00 2.41 O ATOM 2089 CB PRO A 140 -0.921 -8.255 2.804 1.00 53.11 C ATOM 2090 CG PRO A 140 0.308 -8.055 3.623 1.00 70.31 C ATOM 2091 CD PRO A 140 0.143 -6.721 4.298 1.00 42.53 C ATOM 0 HA PRO A 140 -2.809 -7.120 2.974 1.00 23.45 H new ATOM 0 HB2 PRO A 140 -1.133 -9.315 2.661 1.00 53.11 H new ATOM 0 HB3 PRO A 140 -0.812 -7.815 1.813 1.00 53.11 H new ATOM 0 HG2 PRO A 140 0.422 -8.853 4.357 1.00 70.31 H new ATOM 0 HG3 PRO A 140 1.200 -8.068 2.997 1.00 70.31 H new ATOM 0 HD2 PRO A 140 0.610 -6.709 5.283 1.00 42.53 H new ATOM 0 HD3 PRO A 140 0.600 -5.918 3.719 1.00 42.53 H new ATOM 2096 N VAL A 141 -3.947 -8.997 4.028 1.00 32.54 N ATOM 2097 CA VAL A 141 -4.745 -9.965 4.771 1.00 71.33 C ATOM 2098 C VAL A 141 -4.988 -11.225 3.948 1.00 53.22 C ATOM 2099 O VAL A 141 -4.858 -12.341 4.451 1.00 41.41 O ATOM 2100 CB VAL A 141 -6.103 -9.369 5.190 1.00 42.31 C ATOM 2101 CG1 VAL A 141 -6.915 -10.389 5.973 1.00 61.11 C ATOM 2102 CG2 VAL A 141 -5.899 -8.099 6.003 1.00 21.32 C ATOM 0 H VAL A 141 -4.372 -8.680 3.157 1.00 32.54 H new ATOM 0 HA VAL A 141 -4.178 -10.223 5.665 1.00 71.33 H new ATOM 0 HB VAL A 141 -6.661 -9.111 4.290 1.00 42.31 H new ATOM 0 HG11 VAL A 141 -7.871 -9.950 6.260 1.00 61.11 H new ATOM 0 HG12 VAL A 141 -7.091 -11.268 5.352 1.00 61.11 H new ATOM 0 HG13 VAL A 141 -6.366 -10.681 6.868 1.00 61.11 H new ATOM 0 HG21 VAL A 141 -6.868 -7.691 6.291 1.00 21.32 H new ATOM 0 HG22 VAL A 141 -5.322 -8.329 6.899 1.00 21.32 H new ATOM 0 HG23 VAL A 141 -5.361 -7.365 5.403 1.00 21.32 H new ATOM 2112 N SER A 142 -5.340 -11.038 2.681 1.00 41.05 N ATOM 2113 CA SER A 142 -5.604 -12.160 1.787 1.00 55.25 C ATOM 2114 C SER A 142 -4.648 -12.144 0.598 1.00 31.10 C ATOM 2115 O SER A 142 -4.619 -11.189 -0.176 1.00 40.42 O ATOM 2116 CB SER A 142 -7.051 -12.115 1.292 1.00 74.33 C ATOM 2117 OG SER A 142 -7.901 -11.514 2.254 1.00 54.22 O ATOM 0 H SER A 142 -5.449 -10.120 2.250 1.00 41.05 H new ATOM 0 HA SER A 142 -5.446 -13.083 2.346 1.00 55.25 H new ATOM 0 HB2 SER A 142 -7.102 -11.556 0.358 1.00 74.33 H new ATOM 0 HB3 SER A 142 -7.397 -13.126 1.078 1.00 74.33 H new ATOM 0 HG SER A 142 -8.820 -11.496 1.913 1.00 54.22 H new ATOM 2122 N TRP A 143 -3.867 -13.210 0.463 1.00 40.33 N ATOM 2123 CA TRP A 143 -2.909 -13.320 -0.631 1.00 12.54 C ATOM 2124 C TRP A 143 -3.098 -14.629 -1.391 1.00 14.31 C ATOM 2125 O TRP A 143 -3.914 -15.467 -1.008 1.00 1.44 O ATOM 2126 CB TRP A 143 -1.479 -13.229 -0.095 1.00 31.23 C ATOM 2127 CG TRP A 143 -1.111 -14.366 0.811 1.00 70.42 C ATOM 2128 CD1 TRP A 143 -0.324 -15.439 0.503 1.00 40.32 C ATOM 2129 CD2 TRP A 143 -1.518 -14.542 2.172 1.00 20.41 C ATOM 2130 NE1 TRP A 143 -0.217 -16.271 1.590 1.00 63.53 N ATOM 2131 CE2 TRP A 143 -0.940 -15.744 2.627 1.00 53.13 C ATOM 2132 CE3 TRP A 143 -2.313 -13.802 3.052 1.00 2.11 C ATOM 2133 CZ2 TRP A 143 -1.134 -16.219 3.921 1.00 20.01 C ATOM 2134 CZ3 TRP A 143 -2.505 -14.276 4.335 1.00 30.33 C ATOM 2135 CH2 TRP A 143 -1.916 -15.475 4.761 1.00 14.00 C ATOM 0 H TRP A 143 -3.878 -14.009 1.097 1.00 40.33 H new ATOM 0 HA TRP A 143 -3.085 -12.493 -1.319 1.00 12.54 H new ATOM 0 HB2 TRP A 143 -0.785 -13.204 -0.935 1.00 31.23 H new ATOM 0 HB3 TRP A 143 -1.360 -12.290 0.445 1.00 31.23 H new ATOM 0 HD1 TRP A 143 0.145 -15.608 -0.455 1.00 40.32 H new ATOM 0 HE1 TRP A 143 0.315 -17.141 1.620 1.00 63.53 H new ATOM 0 HE3 TRP A 143 -2.769 -12.876 2.734 1.00 2.11 H new ATOM 0 HZ2 TRP A 143 -0.683 -17.143 4.250 1.00 20.01 H new ATOM 0 HZ3 TRP A 143 -3.120 -13.713 5.022 1.00 30.33 H new ATOM 0 HH2 TRP A 143 -2.083 -15.818 5.772 1.00 14.00 H new ATOM 2145 N HIS A 144 -2.339 -14.797 -2.470 1.00 51.04 N ATOM 2146 CA HIS A 144 -2.424 -16.004 -3.283 1.00 10.42 C ATOM 2147 C HIS A 144 -1.035 -16.576 -3.552 1.00 30.34 C ATOM 2148 O HIS A 144 -0.150 -15.877 -4.045 1.00 24.11 O ATOM 2149 CB HIS A 144 -3.129 -15.706 -4.605 1.00 51.44 C ATOM 2150 CG HIS A 144 -4.478 -16.346 -4.722 1.00 41.35 C ATOM 2151 ND1 HIS A 144 -5.452 -16.231 -3.753 1.00 54.14 N ATOM 2152 CD2 HIS A 144 -5.014 -17.110 -5.703 1.00 74.31 C ATOM 2153 CE1 HIS A 144 -6.528 -16.898 -4.132 1.00 33.02 C ATOM 2154 NE2 HIS A 144 -6.288 -17.440 -5.313 1.00 30.45 N ATOM 0 H HIS A 144 -1.659 -14.113 -2.801 1.00 51.04 H new ATOM 0 HA HIS A 144 -3.003 -16.744 -2.730 1.00 10.42 H new ATOM 0 HB2 HIS A 144 -3.237 -14.627 -4.714 1.00 51.44 H new ATOM 0 HB3 HIS A 144 -2.501 -16.048 -5.427 1.00 51.44 H new ATOM 0 HD1 HIS A 144 -5.357 -15.712 -2.880 1.00 54.14 H new ATOM 0 HD2 HIS A 144 -4.529 -17.405 -6.622 1.00 74.31 H new ATOM 0 HE1 HIS A 144 -7.447 -16.985 -3.572 1.00 33.02 H new ATOM 2161 N ASN A 145 -0.852 -17.851 -3.224 1.00 13.53 N ATOM 2162 CA ASN A 145 0.431 -18.516 -3.429 1.00 65.34 C ATOM 2163 C ASN A 145 1.448 -18.072 -2.382 1.00 61.24 C ATOM 2164 O ASN A 145 1.928 -18.881 -1.587 1.00 54.31 O ATOM 2165 CB ASN A 145 0.964 -18.220 -4.832 1.00 51.44 C ATOM 2166 CG ASN A 145 1.750 -19.381 -5.408 1.00 3.41 C ATOM 2167 OD1 ASN A 145 2.772 -19.789 -4.855 1.00 74.22 O ATOM 2168 ND2 ASN A 145 1.277 -19.919 -6.527 1.00 35.23 N ATOM 0 H ASN A 145 -1.574 -18.444 -2.816 1.00 13.53 H new ATOM 0 HA ASN A 145 0.276 -19.590 -3.326 1.00 65.34 H new ATOM 0 HB2 ASN A 145 0.129 -17.986 -5.493 1.00 51.44 H new ATOM 0 HB3 ASN A 145 1.600 -17.336 -4.797 1.00 51.44 H new ATOM 0 HD21 ASN A 145 1.765 -20.702 -6.962 1.00 35.23 H new ATOM 0 HD22 ASN A 145 0.426 -19.549 -6.951 1.00 35.23 H new ATOM 2174 N ARG A 146 1.769 -16.783 -2.387 1.00 3.20 N ATOM 2175 CA ARG A 146 2.729 -16.231 -1.439 1.00 21.41 C ATOM 2176 C ARG A 146 2.848 -14.719 -1.602 1.00 43.22 C ATOM 2177 O ARG A 146 2.936 -14.211 -2.720 1.00 41.41 O ATOM 2178 CB ARG A 146 4.099 -16.884 -1.629 1.00 44.31 C ATOM 2179 CG ARG A 146 5.171 -16.335 -0.700 1.00 63.43 C ATOM 2180 CD ARG A 146 5.559 -17.351 0.363 1.00 51.42 C ATOM 2181 NE ARG A 146 6.337 -18.456 -0.194 1.00 54.35 N ATOM 2182 CZ ARG A 146 7.629 -18.369 -0.488 1.00 71.15 C ATOM 2183 NH1 ARG A 146 8.286 -17.236 -0.280 1.00 64.24 N ATOM 2184 NH2 ARG A 146 8.267 -19.418 -0.992 1.00 21.33 N ATOM 0 H ARG A 146 1.378 -16.101 -3.037 1.00 3.20 H new ATOM 0 HA ARG A 146 2.369 -16.443 -0.432 1.00 21.41 H new ATOM 0 HB2 ARG A 146 4.006 -17.958 -1.467 1.00 44.31 H new ATOM 0 HB3 ARG A 146 4.419 -16.744 -2.662 1.00 44.31 H new ATOM 0 HG2 ARG A 146 6.051 -16.060 -1.281 1.00 63.43 H new ATOM 0 HG3 ARG A 146 4.808 -15.426 -0.221 1.00 63.43 H new ATOM 0 HD2 ARG A 146 6.138 -16.857 1.143 1.00 51.42 H new ATOM 0 HD3 ARG A 146 4.658 -17.743 0.835 1.00 51.42 H new ATOM 0 HE ARG A 146 5.862 -19.342 -0.366 1.00 54.35 H new ATOM 0 HH11 ARG A 146 7.799 -16.428 0.107 1.00 64.24 H new ATOM 0 HH12 ARG A 146 9.278 -17.173 -0.507 1.00 64.24 H new ATOM 0 HH21 ARG A 146 7.765 -20.291 -1.154 1.00 21.33 H new ATOM 0 HH22 ARG A 146 9.259 -19.351 -1.218 1.00 21.33 H new ATOM 2195 N ILE A 147 2.848 -14.005 -0.481 1.00 65.41 N ATOM 2196 CA ILE A 147 2.955 -12.553 -0.500 1.00 11.22 C ATOM 2197 C ILE A 147 4.194 -12.103 -1.267 1.00 12.13 C ATOM 2198 O ILE A 147 5.296 -12.057 -0.718 1.00 51.03 O ATOM 2199 CB ILE A 147 3.010 -11.973 0.926 1.00 42.01 C ATOM 2200 CG1 ILE A 147 1.778 -12.406 1.723 1.00 50.12 C ATOM 2201 CG2 ILE A 147 3.109 -10.455 0.877 1.00 61.13 C ATOM 2202 CD1 ILE A 147 1.994 -13.666 2.532 1.00 2.11 C ATOM 0 H ILE A 147 2.775 -14.410 0.452 1.00 65.41 H new ATOM 0 HA ILE A 147 2.063 -12.178 -1.002 1.00 11.22 H new ATOM 0 HB ILE A 147 3.898 -12.360 1.426 1.00 42.01 H new ATOM 0 HG12 ILE A 147 1.487 -11.598 2.394 1.00 50.12 H new ATOM 0 HG13 ILE A 147 0.947 -12.563 1.035 1.00 50.12 H new ATOM 0 HG21 ILE A 147 3.147 -10.060 1.892 1.00 61.13 H new ATOM 0 HG22 ILE A 147 4.013 -10.166 0.341 1.00 61.13 H new ATOM 0 HG23 ILE A 147 2.238 -10.050 0.362 1.00 61.13 H new ATOM 0 HD11 ILE A 147 1.080 -13.913 3.071 1.00 2.11 H new ATOM 0 HD12 ILE A 147 2.255 -14.487 1.864 1.00 2.11 H new ATOM 0 HD13 ILE A 147 2.803 -13.507 3.244 1.00 2.11 H new ATOM 2213 N THR A 148 4.008 -11.772 -2.541 1.00 73.02 N ATOM 2214 CA THR A 148 5.109 -11.325 -3.384 1.00 32.00 C ATOM 2215 C THR A 148 4.642 -10.283 -4.395 1.00 24.22 C ATOM 2216 O THR A 148 4.020 -10.619 -5.403 1.00 4.31 O ATOM 2217 CB THR A 148 5.752 -12.504 -4.139 1.00 15.23 C ATOM 2218 OG1 THR A 148 5.462 -13.733 -3.465 1.00 0.02 O ATOM 2219 CG2 THR A 148 7.259 -12.321 -4.243 1.00 4.42 C ATOM 0 H THR A 148 3.104 -11.805 -3.012 1.00 73.02 H new ATOM 0 HA THR A 148 5.851 -10.877 -2.723 1.00 32.00 H new ATOM 0 HB THR A 148 5.334 -12.534 -5.145 1.00 15.23 H new ATOM 0 HG1 THR A 148 5.421 -14.463 -4.118 1.00 0.02 H new ATOM 0 HG21 THR A 148 7.692 -13.165 -4.780 1.00 4.42 H new ATOM 0 HG22 THR A 148 7.477 -11.398 -4.781 1.00 4.42 H new ATOM 0 HG23 THR A 148 7.689 -12.268 -3.243 1.00 4.42 H new ATOM 2227 N LEU A 149 4.944 -9.020 -4.118 1.00 3.43 N ATOM 2228 CA LEU A 149 4.555 -7.929 -5.005 1.00 15.44 C ATOM 2229 C LEU A 149 5.340 -6.661 -4.685 1.00 20.24 C ATOM 2230 O LEU A 149 6.330 -6.700 -3.953 1.00 44.13 O ATOM 2231 CB LEU A 149 3.055 -7.658 -4.884 1.00 2.11 C ATOM 2232 CG LEU A 149 2.608 -6.900 -3.634 1.00 0.11 C ATOM 2233 CD1 LEU A 149 1.168 -6.434 -3.778 1.00 53.25 C ATOM 2234 CD2 LEU A 149 2.768 -7.771 -2.396 1.00 2.02 C ATOM 0 H LEU A 149 5.457 -8.726 -3.287 1.00 3.43 H new ATOM 0 HA LEU A 149 4.783 -8.227 -6.029 1.00 15.44 H new ATOM 0 HB2 LEU A 149 2.736 -7.093 -5.760 1.00 2.11 H new ATOM 0 HB3 LEU A 149 2.530 -8.613 -4.912 1.00 2.11 H new ATOM 0 HG LEU A 149 3.242 -6.021 -3.520 1.00 0.11 H new ATOM 0 HD11 LEU A 149 0.868 -5.897 -2.878 1.00 53.25 H new ATOM 0 HD12 LEU A 149 1.084 -5.773 -4.641 1.00 53.25 H new ATOM 0 HD13 LEU A 149 0.518 -7.298 -3.918 1.00 53.25 H new ATOM 0 HD21 LEU A 149 2.445 -7.215 -1.516 1.00 2.02 H new ATOM 0 HD22 LEU A 149 2.159 -8.669 -2.502 1.00 2.02 H new ATOM 0 HD23 LEU A 149 3.815 -8.054 -2.283 1.00 2.02 H new ATOM 2245 N ARG A 150 4.890 -5.538 -5.235 1.00 52.20 N ATOM 2246 CA ARG A 150 5.550 -4.258 -5.007 1.00 31.05 C ATOM 2247 C ARG A 150 4.555 -3.106 -5.121 1.00 31.13 C ATOM 2248 O ARG A 150 3.787 -3.028 -6.080 1.00 24.11 O ATOM 2249 CB ARG A 150 6.690 -4.062 -6.007 1.00 4.31 C ATOM 2250 CG ARG A 150 7.168 -2.623 -6.113 1.00 5.15 C ATOM 2251 CD ARG A 150 7.720 -2.120 -4.789 1.00 21.42 C ATOM 2252 NE ARG A 150 7.825 -0.664 -4.756 1.00 62.42 N ATOM 2253 CZ ARG A 150 8.834 0.012 -5.293 1.00 20.01 C ATOM 2254 NH1 ARG A 150 9.820 -0.633 -5.900 1.00 3.13 N ATOM 2255 NH2 ARG A 150 8.858 1.337 -5.222 1.00 3.41 N ATOM 0 H ARG A 150 4.071 -5.489 -5.841 1.00 52.20 H new ATOM 0 HA ARG A 150 5.960 -4.264 -3.997 1.00 31.05 H new ATOM 0 HB2 ARG A 150 7.529 -4.694 -5.716 1.00 4.31 H new ATOM 0 HB3 ARG A 150 6.362 -4.400 -6.990 1.00 4.31 H new ATOM 0 HG2 ARG A 150 7.938 -2.550 -6.881 1.00 5.15 H new ATOM 0 HG3 ARG A 150 6.342 -1.986 -6.429 1.00 5.15 H new ATOM 0 HD2 ARG A 150 7.075 -2.455 -3.977 1.00 21.42 H new ATOM 0 HD3 ARG A 150 8.703 -2.558 -4.617 1.00 21.42 H new ATOM 0 HE ARG A 150 7.083 -0.137 -4.295 1.00 62.42 H new ATOM 0 HH11 ARG A 150 9.805 -1.651 -5.956 1.00 3.13 H new ATOM 0 HH12 ARG A 150 10.594 -0.111 -6.312 1.00 3.13 H new ATOM 0 HH21 ARG A 150 8.101 1.836 -4.755 1.00 3.41 H new ATOM 0 HH22 ARG A 150 9.633 1.856 -5.635 1.00 3.41 H new ATOM 2266 N LEU A 151 4.576 -2.214 -4.137 1.00 0.33 N ATOM 2267 CA LEU A 151 3.677 -1.066 -4.126 1.00 42.54 C ATOM 2268 C LEU A 151 4.423 0.214 -4.487 1.00 72.11 C ATOM 2269 O LEU A 151 4.941 0.909 -3.612 1.00 63.13 O ATOM 2270 CB LEU A 151 3.022 -0.919 -2.751 1.00 41.22 C ATOM 2271 CG LEU A 151 3.973 -0.891 -1.555 1.00 11.14 C ATOM 2272 CD1 LEU A 151 3.912 0.458 -0.855 1.00 72.13 C ATOM 2273 CD2 LEU A 151 3.641 -2.014 -0.583 1.00 41.34 C ATOM 0 H LEU A 151 5.206 -2.264 -3.336 1.00 0.33 H new ATOM 0 HA LEU A 151 2.902 -1.235 -4.874 1.00 42.54 H new ATOM 0 HB2 LEU A 151 2.437 0.000 -2.746 1.00 41.22 H new ATOM 0 HB3 LEU A 151 2.322 -1.743 -2.614 1.00 41.22 H new ATOM 0 HG LEU A 151 4.989 -1.042 -1.920 1.00 11.14 H new ATOM 0 HD11 LEU A 151 4.596 0.459 -0.006 1.00 72.13 H new ATOM 0 HD12 LEU A 151 4.200 1.244 -1.554 1.00 72.13 H new ATOM 0 HD13 LEU A 151 2.897 0.640 -0.503 1.00 72.13 H new ATOM 0 HD21 LEU A 151 4.328 -1.979 0.262 1.00 41.34 H new ATOM 0 HD22 LEU A 151 2.619 -1.895 -0.225 1.00 41.34 H new ATOM 0 HD23 LEU A 151 3.738 -2.974 -1.090 1.00 41.34 H new ATOM 2284 N GLU A 152 4.472 0.522 -5.779 1.00 2.43 N ATOM 2285 CA GLU A 152 5.155 1.719 -6.254 1.00 34.32 C ATOM 2286 C GLU A 152 4.242 2.938 -6.159 1.00 51.44 C ATOM 2287 O GLU A 152 3.034 2.843 -6.379 1.00 72.31 O ATOM 2288 CB GLU A 152 5.621 1.529 -7.698 1.00 10.51 C ATOM 2289 CG GLU A 152 7.023 0.953 -7.815 1.00 21.41 C ATOM 2290 CD GLU A 152 7.401 0.623 -9.246 1.00 32.44 C ATOM 2291 OE1 GLU A 152 6.493 0.547 -10.098 1.00 74.41 O ATOM 2292 OE2 GLU A 152 8.609 0.442 -9.512 1.00 63.25 O ATOM 0 H GLU A 152 4.047 -0.041 -6.515 1.00 2.43 H new ATOM 0 HA GLU A 152 6.025 1.886 -5.619 1.00 34.32 H new ATOM 0 HB2 GLU A 152 4.922 0.869 -8.212 1.00 10.51 H new ATOM 0 HB3 GLU A 152 5.588 2.490 -8.211 1.00 10.51 H new ATOM 0 HG2 GLU A 152 7.740 1.667 -7.409 1.00 21.41 H new ATOM 0 HG3 GLU A 152 7.093 0.051 -7.207 1.00 21.41 H new ATOM 2297 N LEU A 153 4.828 4.085 -5.830 1.00 23.22 N ATOM 2298 CA LEU A 153 4.069 5.324 -5.706 1.00 22.11 C ATOM 2299 C LEU A 153 4.485 6.327 -6.776 1.00 41.03 C ATOM 2300 O LEU A 153 5.647 6.373 -7.183 1.00 72.31 O ATOM 2301 CB LEU A 153 4.270 5.931 -4.316 1.00 50.11 C ATOM 2302 CG LEU A 153 2.999 6.341 -3.572 1.00 43.33 C ATOM 2303 CD1 LEU A 153 3.342 6.938 -2.216 1.00 21.03 C ATOM 2304 CD2 LEU A 153 2.191 7.329 -4.402 1.00 10.41 C ATOM 0 H LEU A 153 5.826 4.182 -5.644 1.00 23.22 H new ATOM 0 HA LEU A 153 3.014 5.090 -5.845 1.00 22.11 H new ATOM 0 HB2 LEU A 153 4.810 5.211 -3.702 1.00 50.11 H new ATOM 0 HB3 LEU A 153 4.909 6.809 -4.414 1.00 50.11 H new ATOM 0 HG LEU A 153 2.393 5.450 -3.410 1.00 43.33 H new ATOM 0 HD11 LEU A 153 2.424 7.224 -1.702 1.00 21.03 H new ATOM 0 HD12 LEU A 153 3.878 6.200 -1.619 1.00 21.03 H new ATOM 0 HD13 LEU A 153 3.970 7.818 -2.354 1.00 21.03 H new ATOM 0 HD21 LEU A 153 1.290 7.610 -3.857 1.00 10.41 H new ATOM 0 HD22 LEU A 153 2.791 8.218 -4.595 1.00 10.41 H new ATOM 0 HD23 LEU A 153 1.913 6.867 -5.349 1.00 10.41 H new ATOM 2315 N LEU A 154 3.529 7.133 -7.229 1.00 24.12 N ATOM 2316 CA LEU A 154 3.797 8.138 -8.251 1.00 23.11 C ATOM 2317 C LEU A 154 3.465 9.536 -7.740 1.00 2.21 C ATOM 2318 O LEU A 154 2.528 9.717 -6.964 1.00 14.11 O ATOM 2319 CB LEU A 154 2.986 7.838 -9.513 1.00 2.20 C ATOM 2320 CG LEU A 154 2.836 6.361 -9.880 1.00 64.33 C ATOM 2321 CD1 LEU A 154 1.952 6.203 -11.108 1.00 32.34 C ATOM 2322 CD2 LEU A 154 4.199 5.728 -10.117 1.00 54.13 C ATOM 0 H LEU A 154 2.562 7.109 -6.904 1.00 24.12 H new ATOM 0 HA LEU A 154 4.859 8.102 -8.492 1.00 23.11 H new ATOM 0 HB2 LEU A 154 1.990 8.264 -9.390 1.00 2.20 H new ATOM 0 HB3 LEU A 154 3.453 8.354 -10.352 1.00 2.20 H new ATOM 0 HG LEU A 154 2.359 5.846 -9.046 1.00 64.33 H new ATOM 0 HD11 LEU A 154 1.857 5.145 -11.354 1.00 32.34 H new ATOM 0 HD12 LEU A 154 0.965 6.618 -10.902 1.00 32.34 H new ATOM 0 HD13 LEU A 154 2.400 6.732 -11.949 1.00 32.34 H new ATOM 0 HD21 LEU A 154 4.072 4.677 -10.377 1.00 54.13 H new ATOM 0 HD22 LEU A 154 4.703 6.245 -10.933 1.00 54.13 H new ATOM 0 HD23 LEU A 154 4.800 5.807 -9.211 1.00 54.13 H new ATOM 2333 N GLY A 155 4.239 10.522 -8.183 1.00 71.34 N ATOM 2334 CA GLY A 155 4.009 11.892 -7.761 1.00 42.41 C ATOM 2335 C GLY A 155 4.177 12.883 -8.896 1.00 13.33 C ATOM 2336 O GLY A 155 4.668 12.532 -9.969 1.00 52.33 O ATOM 0 H GLY A 155 5.021 10.397 -8.826 1.00 71.34 H new ATOM 0 HA2 GLY A 155 3.002 11.979 -7.352 1.00 42.41 H new ATOM 0 HA3 GLY A 155 4.702 12.143 -6.958 1.00 42.41 H new ATOM 2340 N CYS A 156 3.768 14.125 -8.660 1.00 73.52 N ATOM 2341 CA CYS A 156 3.872 15.170 -9.670 1.00 14.44 C ATOM 2342 C CYS A 156 5.187 15.933 -9.529 1.00 21.23 C ATOM 2343 O CYS A 156 5.591 16.668 -10.431 1.00 33.13 O ATOM 2344 CB CYS A 156 2.694 16.139 -9.555 1.00 54.22 C ATOM 2345 SG CYS A 156 2.621 17.382 -10.886 1.00 12.11 S ATOM 0 H CYS A 156 3.361 14.432 -7.777 1.00 73.52 H new ATOM 0 HA CYS A 156 3.849 14.696 -10.651 1.00 14.44 H new ATOM 0 HB2 CYS A 156 1.766 15.567 -9.555 1.00 54.22 H new ATOM 0 HB3 CYS A 156 2.752 16.653 -8.595 1.00 54.22 H new ATOM 2349 N LEU A 157 5.852 15.751 -8.392 1.00 42.54 N ATOM 2350 CA LEU A 157 7.122 16.420 -8.133 1.00 52.24 C ATOM 2351 C LEU A 157 6.941 17.935 -8.094 1.00 42.05 C ATOM 2352 O LEU A 157 7.880 18.688 -8.352 1.00 64.33 O ATOM 2353 CB LEU A 157 8.147 16.046 -9.205 1.00 62.54 C ATOM 2354 CG LEU A 157 9.460 15.449 -8.699 1.00 74.41 C ATOM 2355 CD1 LEU A 157 10.208 16.457 -7.839 1.00 61.11 C ATOM 2356 CD2 LEU A 157 9.197 14.169 -7.917 1.00 12.43 C ATOM 0 H LEU A 157 5.532 15.146 -7.636 1.00 42.54 H new ATOM 0 HA LEU A 157 7.486 16.090 -7.160 1.00 52.24 H new ATOM 0 HB2 LEU A 157 7.685 15.332 -9.887 1.00 62.54 H new ATOM 0 HB3 LEU A 157 8.377 16.939 -9.786 1.00 62.54 H new ATOM 0 HG LEU A 157 10.082 15.204 -9.560 1.00 74.41 H new ATOM 0 HD11 LEU A 157 11.140 16.015 -7.488 1.00 61.11 H new ATOM 0 HD12 LEU A 157 10.428 17.346 -8.429 1.00 61.11 H new ATOM 0 HD13 LEU A 157 9.592 16.733 -6.983 1.00 61.11 H new ATOM 0 HD21 LEU A 157 10.143 13.757 -7.564 1.00 12.43 H new ATOM 0 HD22 LEU A 157 8.556 14.389 -7.063 1.00 12.43 H new ATOM 0 HD23 LEU A 157 8.704 13.443 -8.563 1.00 12.43 H new ATOM 2367 N GLU A 158 5.728 18.373 -7.768 1.00 3.40 N ATOM 2368 CA GLU A 158 5.427 19.797 -7.694 1.00 61.13 C ATOM 2369 C GLU A 158 4.399 20.079 -6.602 1.00 32.22 C ATOM 2370 O GLU A 158 4.754 20.305 -5.446 1.00 32.33 O ATOM 2371 CB GLU A 158 4.906 20.301 -9.041 1.00 52.43 C ATOM 2372 CG GLU A 158 4.929 21.815 -9.175 1.00 53.03 C ATOM 2373 CD GLU A 158 3.538 22.418 -9.218 1.00 52.12 C ATOM 2374 OE1 GLU A 158 2.696 21.910 -9.986 1.00 72.25 O ATOM 2375 OE2 GLU A 158 3.293 23.398 -8.484 1.00 14.11 O ATOM 0 H GLU A 158 4.940 17.763 -7.552 1.00 3.40 H new ATOM 0 HA GLU A 158 6.348 20.325 -7.448 1.00 61.13 H new ATOM 0 HB2 GLU A 158 5.506 19.865 -9.839 1.00 52.43 H new ATOM 0 HB3 GLU A 158 3.884 19.948 -9.181 1.00 52.43 H new ATOM 0 HG2 GLU A 158 5.480 22.242 -8.337 1.00 53.03 H new ATOM 0 HG3 GLU A 158 5.467 22.088 -10.083 1.00 53.03 H new