USER MOD reduce.3.24.130724 H: found=0, std=0, add=1227, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1247 hydrogens (11 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 86 ASN :FLIP amide:sc= 0.714 F(o=-2.9!,f=1.7) USER MOD Set 1.2: A 95 THR OG1 : rot -65:sc= 1.02 USER MOD Set 2.1: A 76 THR OG1 : rot 129:sc= 0.144 USER MOD Set 2.2: A 104 LYS NZ :NH3+ -124:sc= -1 (180deg=-2.7!) USER MOD Set 3.1: A 42 HIS : no HD1:sc= 0.00609 K(o=0.49,f=-1.4) USER MOD Set 3.2: A 44 THR OG1 : rot 70:sc= 0.131 USER MOD Set 3.3: A 47 LYS NZ :NH3+ -171:sc= 0.129 (180deg=-0.00126) USER MOD Set 3.4: A 154 ATP O2' : rot 171:sc= 0.218 USER MOD Set 4.1: A 35 GLN :FLIP amide:sc= -1.14! C(o=-4.3!,f=-2!) USER MOD Set 4.2: A 41 HIS : no HD1:sc= -0.853 K(o=-2,f=-4.4!) USER MOD Single : A 1 GLY N :NH3+ -127:sc= -2.89! (180deg=-6.31!) USER MOD Single : A 5 SER OG : rot 35:sc= 0.808 USER MOD Single : A 6 MET CE :methyl -150:sc= -0.184 (180deg=-1.16) USER MOD Single : A 11 CYS SG : rot 35:sc= -1.35 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.0205 USER MOD Single : A 23 LYS NZ :NH3+ -131:sc= -0.335 (180deg=-1.13) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc=-0.00693 X(o=-0.0069,f=-0.15) USER MOD Single : A 37 SER OG : rot -78:sc= 0.209 USER MOD Single : A 49 HIS : no HE2:sc= -3.02! C(o=-3!,f=-5.7!) USER MOD Single : A 59 THR OG1 : rot 82:sc= -0.477! USER MOD Single : A 64 THR OG1 : rot 71:sc= -3.71! USER MOD Single : A 65 GLN : amide:sc= -0.0186 X(o=-0.019,f=-0.21) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.15 F(o=-1.5!,f=-0.15) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 165:sc= -0.521 USER MOD Single : A 91 ASN : amide:sc= 0.328 X(o=0.33,f=-0.097) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -116:sc= -0.234 (180deg=-1.9!) USER MOD Single : A 98 TYR OH : rot 123:sc= 0.659 USER MOD Single : A 106 TYR OH : rot -10:sc= 0.0319 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= -0.441 K(o=-0.44,f=-3.1!) USER MOD Single : A 116 HIS :FLIP no HE2:sc= -1.23 F(o=-3.6,f=-1.2) USER MOD Single : A 117 GLN :FLIP amide:sc= -0.386 F(o=-1,f=-0.39) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 180:sc= -2.96 USER MOD Single : A 129 GLN : amide:sc= -3.88! C(o=-3.9!,f=-5.8!) USER MOD Single : A 132 GLN :FLIP amide:sc= -0.158 F(o=-0.68,f=-0.16) USER MOD Single : A 134 LYS NZ :NH3+ -155:sc= -0.0462 (180deg=-0.302) USER MOD Single : A 136 MET CE :methyl -175:sc= -5.25! (180deg=-5.79!) USER MOD Single : A 137 LYS NZ :NH3+ -151:sc= -4.21! (180deg=-5.83!) USER MOD Single : A 141 GLN :FLIP amide:sc= -0.47 F(o=-2.8,f=-0.47) USER MOD Single : A 144 HIS : no HE2:sc= -2.3! C(o=-2.3!,f=-4.7!) USER MOD Single : A 145 GLN : amide:sc= -0.705 K(o=-0.7,f=-3.9!) USER MOD Single : A 148 CYS SG : rot 88:sc= 0.00996 USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 154 ATP O3' : rot 127:sc= 0.177 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.551 -11.225 -10.893 1.00 0.00 N ATOM 2 CA GLY A 1 22.031 -11.267 -9.541 1.00 0.00 C ATOM 3 C GLY A 1 20.763 -10.432 -9.438 1.00 0.00 C ATOM 4 O GLY A 1 19.705 -10.945 -9.079 1.00 0.00 O ATOM 0 H1 GLY A 1 22.693 -12.195 -11.241 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.875 -10.731 -11.510 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.459 -10.719 -10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.820 -12.298 -9.257 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.780 -10.891 -8.844 1.00 0.00 H new ATOM 8 N PRO A 2 20.871 -9.139 -9.753 1.00 0.00 N ATOM 9 CA PRO A 2 19.774 -8.195 -9.717 1.00 0.00 C ATOM 10 C PRO A 2 18.826 -8.471 -10.874 1.00 0.00 C ATOM 11 O PRO A 2 17.618 -8.278 -10.749 1.00 0.00 O ATOM 12 CB PRO A 2 20.432 -6.825 -9.862 1.00 0.00 C ATOM 13 CG PRO A 2 21.673 -7.132 -10.700 1.00 0.00 C ATOM 14 CD PRO A 2 22.099 -8.502 -10.176 1.00 0.00 C ATOM 0 HA PRO A 2 19.186 -8.261 -8.802 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.775 -6.111 -10.359 1.00 0.00 H new ATOM 0 HB3 PRO A 2 20.693 -6.397 -8.894 1.00 0.00 H new ATOM 0 HG2 PRO A 2 21.446 -7.158 -11.766 1.00 0.00 H new ATOM 0 HG3 PRO A 2 22.453 -6.384 -10.559 1.00 0.00 H new ATOM 0 HD2 PRO A 2 22.599 -9.083 -10.951 1.00 0.00 H new ATOM 0 HD3 PRO A 2 22.800 -8.407 -9.347 1.00 0.00 H new ATOM 22 N LEU A 3 19.376 -8.920 -11.997 1.00 0.00 N ATOM 23 CA LEU A 3 18.571 -9.223 -13.174 1.00 0.00 C ATOM 24 C LEU A 3 17.863 -7.972 -13.681 1.00 0.00 C ATOM 25 O LEU A 3 16.759 -7.651 -13.243 1.00 0.00 O ATOM 26 CB LEU A 3 17.543 -10.311 -12.853 1.00 0.00 C ATOM 27 CG LEU A 3 16.825 -10.902 -14.068 1.00 0.00 C ATOM 28 CD1 LEU A 3 17.832 -11.409 -15.087 1.00 0.00 C ATOM 29 CD2 LEU A 3 15.886 -12.020 -13.639 1.00 0.00 C ATOM 0 H LEU A 3 20.376 -9.082 -12.117 1.00 0.00 H new ATOM 0 HA LEU A 3 19.238 -9.586 -13.956 1.00 0.00 H new ATOM 0 HB2 LEU A 3 18.045 -11.118 -12.319 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.797 -9.896 -12.175 1.00 0.00 H new ATOM 0 HG LEU A 3 16.232 -10.116 -14.535 1.00 0.00 H new ATOM 0 HD11 LEU A 3 17.304 -11.826 -15.944 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.464 -10.584 -15.416 1.00 0.00 H new ATOM 0 HD13 LEU A 3 18.452 -12.181 -14.632 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.383 -12.429 -14.515 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.458 -12.807 -13.148 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.143 -11.625 -12.946 1.00 0.00 H new ATOM 41 N GLY A 4 18.509 -7.269 -14.605 1.00 0.00 N ATOM 42 CA GLY A 4 17.926 -6.060 -15.156 1.00 0.00 C ATOM 43 C GLY A 4 17.212 -6.306 -16.471 1.00 0.00 C ATOM 44 O GLY A 4 16.137 -5.759 -16.713 1.00 0.00 O ATOM 0 H GLY A 4 19.425 -7.514 -14.982 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.222 -5.640 -14.437 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.710 -5.318 -15.305 1.00 0.00 H new ATOM 48 N SER A 5 17.815 -7.132 -17.321 1.00 0.00 N ATOM 49 CA SER A 5 17.233 -7.452 -18.622 1.00 0.00 C ATOM 50 C SER A 5 16.162 -8.531 -18.491 1.00 0.00 C ATOM 51 O SER A 5 16.470 -9.693 -18.222 1.00 0.00 O ATOM 52 CB SER A 5 18.325 -7.918 -19.589 1.00 0.00 C ATOM 53 OG SER A 5 18.973 -9.081 -19.100 1.00 0.00 O ATOM 0 H SER A 5 18.706 -7.592 -17.133 1.00 0.00 H new ATOM 0 HA SER A 5 16.766 -6.549 -19.015 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.887 -8.124 -20.566 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.056 -7.122 -19.729 1.00 0.00 H new ATOM 0 HG SER A 5 18.323 -9.645 -18.632 1.00 0.00 H new ATOM 59 N MET A 6 14.904 -8.142 -18.686 1.00 0.00 N ATOM 60 CA MET A 6 13.789 -9.082 -18.590 1.00 0.00 C ATOM 61 C MET A 6 12.464 -8.391 -18.891 1.00 0.00 C ATOM 62 O MET A 6 12.333 -7.179 -18.733 1.00 0.00 O ATOM 63 CB MET A 6 13.736 -9.707 -17.194 1.00 0.00 C ATOM 64 CG MET A 6 12.807 -10.908 -17.102 1.00 0.00 C ATOM 65 SD MET A 6 13.280 -12.240 -18.221 1.00 0.00 S ATOM 66 CE MET A 6 11.674 -12.761 -18.822 1.00 0.00 C ATOM 0 H MET A 6 14.631 -7.185 -18.911 1.00 0.00 H new ATOM 0 HA MET A 6 13.950 -9.866 -19.330 1.00 0.00 H new ATOM 0 HB2 MET A 6 14.741 -10.012 -16.903 1.00 0.00 H new ATOM 0 HB3 MET A 6 13.412 -8.951 -16.478 1.00 0.00 H new ATOM 0 HG2 MET A 6 12.804 -11.283 -16.078 1.00 0.00 H new ATOM 0 HG3 MET A 6 11.789 -10.593 -17.329 1.00 0.00 H new ATOM 0 HE1 MET A 6 11.703 -13.824 -19.063 1.00 0.00 H new ATOM 0 HE2 MET A 6 10.923 -12.584 -18.053 1.00 0.00 H new ATOM 0 HE3 MET A 6 11.418 -12.193 -19.716 1.00 0.00 H new ATOM 76 N ALA A 7 11.484 -9.176 -19.325 1.00 0.00 N ATOM 77 CA ALA A 7 10.165 -8.645 -19.645 1.00 0.00 C ATOM 78 C ALA A 7 10.218 -7.720 -20.849 1.00 0.00 C ATOM 79 O ALA A 7 11.291 -7.336 -21.312 1.00 0.00 O ATOM 80 CB ALA A 7 9.575 -7.914 -18.445 1.00 0.00 C ATOM 0 H ALA A 7 11.579 -10.182 -19.463 1.00 0.00 H new ATOM 0 HA ALA A 7 9.521 -9.488 -19.895 1.00 0.00 H new ATOM 0 HB1 ALA A 7 8.590 -7.525 -18.704 1.00 0.00 H new ATOM 0 HB2 ALA A 7 9.483 -8.605 -17.607 1.00 0.00 H new ATOM 0 HB3 ALA A 7 10.229 -7.088 -18.164 1.00 0.00 H new ATOM 86 N LEU A 8 9.043 -7.372 -21.348 1.00 0.00 N ATOM 87 CA LEU A 8 8.925 -6.493 -22.498 1.00 0.00 C ATOM 88 C LEU A 8 8.339 -5.144 -22.097 1.00 0.00 C ATOM 89 O LEU A 8 7.399 -5.074 -21.305 1.00 0.00 O ATOM 90 CB LEU A 8 8.049 -7.131 -23.576 1.00 0.00 C ATOM 91 CG LEU A 8 8.175 -8.649 -23.716 1.00 0.00 C ATOM 92 CD1 LEU A 8 7.473 -9.345 -22.565 1.00 0.00 C ATOM 93 CD2 LEU A 8 7.586 -9.104 -25.040 1.00 0.00 C ATOM 0 H LEU A 8 8.150 -7.689 -20.970 1.00 0.00 H new ATOM 0 HA LEU A 8 9.927 -6.336 -22.898 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.008 -6.889 -23.363 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.293 -6.674 -24.535 1.00 0.00 H new ATOM 0 HG LEU A 8 9.232 -8.914 -23.692 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.571 -10.425 -22.678 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.926 -9.036 -21.623 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.417 -9.075 -22.566 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.682 -10.186 -25.128 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.532 -8.828 -25.084 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.121 -8.625 -25.860 1.00 0.00 H new ATOM 105 N ARG A 9 8.895 -4.079 -22.658 1.00 0.00 N ATOM 106 CA ARG A 9 8.425 -2.732 -22.373 1.00 0.00 C ATOM 107 C ARG A 9 7.236 -2.380 -23.261 1.00 0.00 C ATOM 108 O ARG A 9 7.377 -2.258 -24.479 1.00 0.00 O ATOM 109 CB ARG A 9 9.557 -1.726 -22.581 1.00 0.00 C ATOM 110 CG ARG A 9 9.936 -0.964 -21.324 1.00 0.00 C ATOM 111 CD ARG A 9 11.252 -0.221 -21.495 1.00 0.00 C ATOM 112 NE ARG A 9 11.115 1.203 -21.189 1.00 0.00 N ATOM 113 CZ ARG A 9 12.009 1.910 -20.500 1.00 0.00 C ATOM 114 NH1 ARG A 9 13.123 1.342 -20.053 1.00 0.00 N ATOM 115 NH2 ARG A 9 11.790 3.195 -20.259 1.00 0.00 N ATOM 0 H ARG A 9 9.674 -4.123 -23.315 1.00 0.00 H new ATOM 0 HA ARG A 9 8.102 -2.690 -21.333 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.435 -2.253 -22.954 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.261 -1.014 -23.351 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.147 -0.255 -21.076 1.00 0.00 H new ATOM 0 HG3 ARG A 9 10.015 -1.658 -20.487 1.00 0.00 H new ATOM 0 HD2 ARG A 9 12.006 -0.662 -20.843 1.00 0.00 H new ATOM 0 HD3 ARG A 9 11.607 -0.340 -22.519 1.00 0.00 H new ATOM 0 HE ARG A 9 10.281 1.685 -21.525 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.301 0.355 -20.236 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.801 1.893 -19.526 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.938 3.640 -20.601 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.473 3.739 -19.732 1.00 0.00 H new ATOM 129 N ALA A 10 6.068 -2.226 -22.651 1.00 0.00 N ATOM 130 CA ALA A 10 4.854 -1.893 -23.392 1.00 0.00 C ATOM 131 C ALA A 10 4.198 -0.635 -22.840 1.00 0.00 C ATOM 132 O ALA A 10 4.584 -0.139 -21.782 1.00 0.00 O ATOM 133 CB ALA A 10 3.875 -3.055 -23.342 1.00 0.00 C ATOM 0 H ALA A 10 5.933 -2.326 -21.645 1.00 0.00 H new ATOM 0 HA ALA A 10 5.134 -1.703 -24.428 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.974 -2.796 -23.898 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.335 -3.937 -23.787 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.614 -3.266 -22.305 1.00 0.00 H new ATOM 139 N CYS A 11 3.197 -0.133 -23.554 1.00 0.00 N ATOM 140 CA CYS A 11 2.478 1.062 -23.129 1.00 0.00 C ATOM 141 C CYS A 11 1.150 1.194 -23.864 1.00 0.00 C ATOM 142 O CYS A 11 1.104 1.219 -25.093 1.00 0.00 O ATOM 143 CB CYS A 11 3.327 2.313 -23.366 1.00 0.00 C ATOM 144 SG CYS A 11 4.439 2.724 -22.001 1.00 0.00 S ATOM 0 H CYS A 11 2.865 -0.535 -24.430 1.00 0.00 H new ATOM 0 HA CYS A 11 2.276 0.965 -22.062 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.918 2.171 -24.271 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.664 3.159 -23.547 1.00 0.00 H new ATOM 0 HG CYS A 11 4.872 1.629 -21.450 1.00 0.00 H new ATOM 150 N GLY A 12 0.076 1.296 -23.094 1.00 0.00 N ATOM 151 CA GLY A 12 -1.248 1.445 -23.668 1.00 0.00 C ATOM 152 C GLY A 12 -1.892 2.752 -23.252 1.00 0.00 C ATOM 153 O GLY A 12 -1.308 3.514 -22.484 1.00 0.00 O ATOM 0 H GLY A 12 0.098 1.278 -22.074 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.181 1.401 -24.755 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.877 0.612 -23.354 1.00 0.00 H new ATOM 157 N LEU A 13 -3.090 3.022 -23.757 1.00 0.00 N ATOM 158 CA LEU A 13 -3.780 4.262 -23.416 1.00 0.00 C ATOM 159 C LEU A 13 -5.220 4.009 -22.996 1.00 0.00 C ATOM 160 O LEU A 13 -6.037 3.546 -23.795 1.00 0.00 O ATOM 161 CB LEU A 13 -3.762 5.225 -24.615 1.00 0.00 C ATOM 162 CG LEU A 13 -3.118 6.595 -24.365 1.00 0.00 C ATOM 163 CD1 LEU A 13 -3.607 7.609 -25.389 1.00 0.00 C ATOM 164 CD2 LEU A 13 -3.414 7.090 -22.958 1.00 0.00 C ATOM 0 H LEU A 13 -3.598 2.410 -24.395 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.252 4.708 -22.573 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.234 4.741 -25.437 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.789 5.383 -24.945 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.039 6.481 -24.468 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.140 8.575 -25.196 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.342 7.271 -26.391 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.690 7.708 -25.314 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.945 8.063 -22.808 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.492 7.182 -22.824 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.017 6.381 -22.232 1.00 0.00 H new ATOM 176 N ILE A 14 -5.546 4.358 -21.756 1.00 0.00 N ATOM 177 CA ILE A 14 -6.907 4.205 -21.272 1.00 0.00 C ATOM 178 C ILE A 14 -7.720 5.404 -21.724 1.00 0.00 C ATOM 179 O ILE A 14 -7.745 6.445 -21.067 1.00 0.00 O ATOM 180 CB ILE A 14 -6.968 4.067 -19.737 1.00 0.00 C ATOM 181 CG1 ILE A 14 -6.139 2.865 -19.301 1.00 0.00 C ATOM 182 CG2 ILE A 14 -8.407 3.919 -19.263 1.00 0.00 C ATOM 183 CD1 ILE A 14 -6.098 2.660 -17.804 1.00 0.00 C ATOM 0 H ILE A 14 -4.891 4.745 -21.076 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.320 3.286 -21.687 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.558 4.970 -19.286 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.543 1.968 -19.770 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.120 2.986 -19.669 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -8.424 3.823 -18.177 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.980 4.798 -19.559 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -8.849 3.030 -19.713 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.489 1.786 -17.573 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.665 3.540 -17.328 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.110 2.506 -17.430 1.00 0.00 H new ATOM 195 N ILE A 15 -8.350 5.256 -22.878 1.00 0.00 N ATOM 196 CA ILE A 15 -9.132 6.323 -23.467 1.00 0.00 C ATOM 197 C ILE A 15 -10.535 6.364 -22.893 1.00 0.00 C ATOM 198 O ILE A 15 -11.111 5.333 -22.564 1.00 0.00 O ATOM 199 CB ILE A 15 -9.190 6.149 -24.991 1.00 0.00 C ATOM 200 CG1 ILE A 15 -7.770 6.086 -25.544 1.00 0.00 C ATOM 201 CG2 ILE A 15 -9.977 7.268 -25.648 1.00 0.00 C ATOM 202 CD1 ILE A 15 -7.690 5.414 -26.891 1.00 0.00 C ATOM 0 H ILE A 15 -8.332 4.397 -23.428 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.646 7.269 -23.228 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.708 5.217 -25.218 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -7.373 7.098 -25.625 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.135 5.550 -24.839 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.998 7.113 -26.727 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.996 7.271 -25.262 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.503 8.224 -25.428 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.654 5.401 -27.230 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.058 4.391 -26.810 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.300 5.963 -27.608 1.00 0.00 H new ATOM 214 N PHE A 16 -11.069 7.576 -22.760 1.00 0.00 N ATOM 215 CA PHE A 16 -12.397 7.768 -22.208 1.00 0.00 C ATOM 216 C PHE A 16 -13.046 9.038 -22.754 1.00 0.00 C ATOM 217 O PHE A 16 -12.506 10.131 -22.596 1.00 0.00 O ATOM 218 CB PHE A 16 -12.301 7.853 -20.687 1.00 0.00 C ATOM 219 CG PHE A 16 -11.541 9.049 -20.189 1.00 0.00 C ATOM 220 CD1 PHE A 16 -10.171 8.981 -19.998 1.00 0.00 C ATOM 221 CD2 PHE A 16 -12.194 10.241 -19.909 1.00 0.00 C ATOM 222 CE1 PHE A 16 -9.466 10.076 -19.539 1.00 0.00 C ATOM 223 CE2 PHE A 16 -11.494 11.338 -19.447 1.00 0.00 C ATOM 224 CZ PHE A 16 -10.127 11.256 -19.263 1.00 0.00 C ATOM 0 H PHE A 16 -10.596 8.439 -23.029 1.00 0.00 H new ATOM 0 HA PHE A 16 -13.018 6.921 -22.498 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -13.308 7.876 -20.270 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -11.821 6.949 -20.312 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.648 8.060 -20.211 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -13.262 10.312 -20.054 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -8.398 10.009 -19.396 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.014 12.259 -19.230 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.577 12.113 -18.904 1.00 0.00 H new ATOM 234 N ARG A 17 -14.212 8.902 -23.378 1.00 0.00 N ATOM 235 CA ARG A 17 -14.908 10.067 -23.914 1.00 0.00 C ATOM 236 C ARG A 17 -15.663 10.784 -22.802 1.00 0.00 C ATOM 237 O ARG A 17 -16.621 10.249 -22.240 1.00 0.00 O ATOM 238 CB ARG A 17 -15.872 9.665 -25.030 1.00 0.00 C ATOM 239 CG ARG A 17 -15.877 10.635 -26.201 1.00 0.00 C ATOM 240 CD ARG A 17 -16.501 11.971 -25.827 1.00 0.00 C ATOM 241 NE ARG A 17 -16.732 12.812 -26.999 1.00 0.00 N ATOM 242 CZ ARG A 17 -17.226 14.048 -26.941 1.00 0.00 C ATOM 243 NH1 ARG A 17 -17.524 14.594 -25.770 1.00 0.00 N ATOM 244 NH2 ARG A 17 -17.417 14.738 -28.056 1.00 0.00 N ATOM 0 H ARG A 17 -14.689 8.012 -23.524 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.164 10.744 -24.335 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.604 8.672 -25.391 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.880 9.595 -24.622 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.855 10.795 -26.545 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.428 10.197 -27.033 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.446 11.799 -25.312 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.848 12.494 -25.128 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.501 12.430 -27.916 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.375 14.067 -24.909 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.902 15.541 -25.730 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.186 14.323 -28.959 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.795 15.684 -28.012 1.00 0.00 H new ATOM 258 N ARG A 18 -15.222 11.991 -22.482 1.00 0.00 N ATOM 259 CA ARG A 18 -15.843 12.783 -21.430 1.00 0.00 C ATOM 260 C ARG A 18 -16.866 13.759 -21.998 1.00 0.00 C ATOM 261 O ARG A 18 -16.508 14.778 -22.589 1.00 0.00 O ATOM 262 CB ARG A 18 -14.773 13.538 -20.639 1.00 0.00 C ATOM 263 CG ARG A 18 -15.306 14.210 -19.385 1.00 0.00 C ATOM 264 CD ARG A 18 -14.271 14.208 -18.270 1.00 0.00 C ATOM 265 NE ARG A 18 -13.666 15.527 -18.082 1.00 0.00 N ATOM 266 CZ ARG A 18 -13.807 16.269 -16.984 1.00 0.00 C ATOM 267 NH1 ARG A 18 -14.531 15.833 -15.959 1.00 0.00 N ATOM 268 NH2 ARG A 18 -13.218 17.455 -16.910 1.00 0.00 N ATOM 0 H ARG A 18 -14.432 12.446 -22.939 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.368 12.101 -20.762 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.981 12.843 -20.360 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.322 14.293 -21.283 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.593 15.236 -19.615 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.206 13.695 -19.049 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.741 13.889 -17.340 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.492 13.481 -18.500 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.099 15.903 -18.842 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.986 14.921 -16.007 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.632 16.410 -15.124 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.659 17.797 -17.692 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.324 18.026 -16.071 1.00 0.00 H new ATOM 282 N CYS A 19 -18.144 13.442 -21.809 1.00 0.00 N ATOM 283 CA CYS A 19 -19.226 14.292 -22.293 1.00 0.00 C ATOM 284 C CYS A 19 -19.207 15.644 -21.587 1.00 0.00 C ATOM 285 O CYS A 19 -18.614 15.784 -20.517 1.00 0.00 O ATOM 286 CB CYS A 19 -20.576 13.605 -22.074 1.00 0.00 C ATOM 287 SG CYS A 19 -21.677 13.661 -23.509 1.00 0.00 S ATOM 0 H CYS A 19 -18.455 12.601 -21.323 1.00 0.00 H new ATOM 0 HA CYS A 19 -19.081 14.457 -23.361 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -20.402 12.563 -21.804 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -21.077 14.074 -21.227 1.00 0.00 H new ATOM 0 HG CYS A 19 -22.790 13.053 -23.226 1.00 0.00 H new ATOM 293 N LEU A 20 -19.860 16.637 -22.184 1.00 0.00 N ATOM 294 CA LEU A 20 -19.912 17.973 -21.593 1.00 0.00 C ATOM 295 C LEU A 20 -20.557 17.908 -20.213 1.00 0.00 C ATOM 296 O LEU A 20 -19.866 17.928 -19.195 1.00 0.00 O ATOM 297 CB LEU A 20 -20.678 18.957 -22.494 1.00 0.00 C ATOM 298 CG LEU A 20 -20.575 18.695 -24.002 1.00 0.00 C ATOM 299 CD1 LEU A 20 -21.954 18.448 -24.599 1.00 0.00 C ATOM 300 CD2 LEU A 20 -19.892 19.859 -24.704 1.00 0.00 C ATOM 0 H LEU A 20 -20.357 16.545 -23.070 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.890 18.339 -21.495 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -21.730 18.936 -22.211 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -20.314 19.964 -22.293 1.00 0.00 H new ATOM 0 HG LEU A 20 -19.970 17.801 -24.152 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -21.860 18.264 -25.669 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -22.408 17.580 -24.120 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -22.583 19.323 -24.435 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -19.829 19.653 -25.773 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -20.469 20.770 -24.543 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.888 19.989 -24.300 1.00 0.00 H new ATOM 312 N ILE A 21 -21.881 17.813 -20.185 1.00 0.00 N ATOM 313 CA ILE A 21 -22.613 17.722 -18.927 1.00 0.00 C ATOM 314 C ILE A 21 -23.396 16.415 -18.851 1.00 0.00 C ATOM 315 O ILE A 21 -23.702 15.809 -19.879 1.00 0.00 O ATOM 316 CB ILE A 21 -23.580 18.909 -18.737 1.00 0.00 C ATOM 317 CG1 ILE A 21 -24.535 19.025 -19.928 1.00 0.00 C ATOM 318 CG2 ILE A 21 -22.796 20.201 -18.548 1.00 0.00 C ATOM 319 CD1 ILE A 21 -25.805 18.218 -19.766 1.00 0.00 C ATOM 0 H ILE A 21 -22.469 17.797 -21.018 1.00 0.00 H new ATOM 0 HA ILE A 21 -21.873 17.751 -18.127 1.00 0.00 H new ATOM 0 HB ILE A 21 -24.176 18.731 -17.842 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -24.796 20.073 -20.073 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -24.019 18.698 -20.830 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -23.490 21.031 -18.415 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -22.160 20.115 -17.667 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -22.177 20.383 -19.426 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -26.434 18.348 -20.647 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -25.554 17.163 -19.652 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -26.344 18.561 -18.882 1.00 0.00 H new ATOM 331 N PRO A 22 -23.727 15.956 -17.634 1.00 0.00 N ATOM 332 CA PRO A 22 -24.473 14.709 -17.440 1.00 0.00 C ATOM 333 C PRO A 22 -25.784 14.690 -18.215 1.00 0.00 C ATOM 334 O PRO A 22 -26.454 15.715 -18.348 1.00 0.00 O ATOM 335 CB PRO A 22 -24.742 14.676 -15.935 1.00 0.00 C ATOM 336 CG PRO A 22 -23.681 15.539 -15.339 1.00 0.00 C ATOM 337 CD PRO A 22 -23.403 16.612 -16.354 1.00 0.00 C ATOM 0 HA PRO A 22 -23.915 13.846 -17.803 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -25.737 15.055 -15.703 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -24.690 13.659 -15.546 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -24.014 15.971 -14.395 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -22.782 14.961 -15.126 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -24.020 17.495 -16.186 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -22.364 16.939 -16.321 1.00 0.00 H new ATOM 345 N LYS A 23 -26.145 13.518 -18.724 1.00 0.00 N ATOM 346 CA LYS A 23 -27.378 13.361 -19.491 1.00 0.00 C ATOM 347 C LYS A 23 -28.456 12.670 -18.661 1.00 0.00 C ATOM 348 O LYS A 23 -29.328 13.328 -18.091 1.00 0.00 O ATOM 349 CB LYS A 23 -27.106 12.574 -20.778 1.00 0.00 C ATOM 350 CG LYS A 23 -27.269 13.401 -22.045 1.00 0.00 C ATOM 351 CD LYS A 23 -26.137 14.401 -22.207 1.00 0.00 C ATOM 352 CE LYS A 23 -26.489 15.744 -21.589 1.00 0.00 C ATOM 353 NZ LYS A 23 -27.734 16.313 -22.177 1.00 0.00 N ATOM 0 H LYS A 23 -25.602 12.661 -18.620 1.00 0.00 H new ATOM 0 HA LYS A 23 -27.742 14.354 -19.756 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -26.092 12.175 -20.743 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -27.783 11.721 -20.822 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -27.298 12.740 -22.911 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -28.222 13.930 -22.015 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -25.234 14.009 -21.739 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -25.915 14.533 -23.266 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -26.616 15.627 -20.513 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -25.664 16.441 -21.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -27.568 17.303 -22.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -28.004 15.763 -23.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -28.500 16.270 -21.475 1.00 0.00 H new ATOM 367 N VAL A 24 -28.395 11.346 -18.595 1.00 0.00 N ATOM 368 CA VAL A 24 -29.374 10.577 -17.833 1.00 0.00 C ATOM 369 C VAL A 24 -28.801 10.092 -16.500 1.00 0.00 C ATOM 370 O VAL A 24 -29.449 9.333 -15.780 1.00 0.00 O ATOM 371 CB VAL A 24 -29.884 9.357 -18.627 1.00 0.00 C ATOM 372 CG1 VAL A 24 -31.130 8.780 -17.970 1.00 0.00 C ATOM 373 CG2 VAL A 24 -30.160 9.734 -20.078 1.00 0.00 C ATOM 0 H VAL A 24 -27.681 10.783 -19.058 1.00 0.00 H new ATOM 0 HA VAL A 24 -30.206 11.254 -17.640 1.00 0.00 H new ATOM 0 HB VAL A 24 -29.108 8.592 -18.621 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -31.478 7.920 -18.542 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -30.894 8.468 -16.953 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -31.912 9.539 -17.944 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -30.519 8.859 -20.619 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -30.917 10.517 -20.113 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -29.242 10.096 -20.541 1.00 0.00 H new ATOM 383 N ASP A 25 -27.587 10.533 -16.174 1.00 0.00 N ATOM 384 CA ASP A 25 -26.939 10.136 -14.927 1.00 0.00 C ATOM 385 C ASP A 25 -26.648 8.638 -14.915 1.00 0.00 C ATOM 386 O ASP A 25 -26.709 7.991 -13.868 1.00 0.00 O ATOM 387 CB ASP A 25 -27.809 10.510 -13.723 1.00 0.00 C ATOM 388 CG ASP A 25 -28.130 11.993 -13.686 1.00 0.00 C ATOM 389 OD1 ASP A 25 -27.188 12.807 -13.783 1.00 0.00 O ATOM 390 OD2 ASP A 25 -29.324 12.338 -13.558 1.00 0.00 O ATOM 0 H ASP A 25 -27.034 11.164 -16.755 1.00 0.00 H new ATOM 0 HA ASP A 25 -25.993 10.673 -14.858 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -28.737 9.940 -13.757 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -27.295 10.228 -12.804 1.00 0.00 H new ATOM 396 N ASN A 26 -26.330 8.094 -16.086 1.00 0.00 N ATOM 397 CA ASN A 26 -26.025 6.673 -16.217 1.00 0.00 C ATOM 398 C ASN A 26 -24.523 6.459 -16.337 1.00 0.00 C ATOM 399 O ASN A 26 -23.913 5.752 -15.532 1.00 0.00 O ATOM 400 CB ASN A 26 -26.733 6.089 -17.441 1.00 0.00 C ATOM 401 CG ASN A 26 -26.965 4.596 -17.323 1.00 0.00 C ATOM 402 OD1 ASN A 26 -28.037 4.154 -16.906 1.00 0.00 O ATOM 403 ND2 ASN A 26 -25.963 3.808 -17.695 1.00 0.00 N ATOM 0 H ASN A 26 -26.277 8.617 -16.960 1.00 0.00 H new ATOM 0 HA ASN A 26 -26.382 6.162 -15.323 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -27.690 6.592 -17.577 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -26.138 6.291 -18.331 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -26.064 2.794 -17.641 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -25.092 4.216 -18.035 1.00 0.00 H new ATOM 410 N ASN A 27 -23.938 7.077 -17.353 1.00 0.00 N ATOM 411 CA ASN A 27 -22.505 6.970 -17.597 1.00 0.00 C ATOM 412 C ASN A 27 -21.998 8.192 -18.355 1.00 0.00 C ATOM 413 O ASN A 27 -22.236 8.335 -19.554 1.00 0.00 O ATOM 414 CB ASN A 27 -22.191 5.698 -18.386 1.00 0.00 C ATOM 415 CG ASN A 27 -21.698 4.577 -17.494 1.00 0.00 C ATOM 416 OD1 ASN A 27 -20.725 4.735 -16.759 1.00 0.00 O ATOM 417 ND2 ASN A 27 -22.372 3.433 -17.553 1.00 0.00 N ATOM 0 H ASN A 27 -24.436 7.661 -18.025 1.00 0.00 H new ATOM 0 HA ASN A 27 -21.998 6.921 -16.634 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -23.086 5.371 -18.916 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -21.436 5.918 -19.141 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -22.087 2.643 -16.974 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -23.174 3.345 -18.177 1.00 0.00 H new ATOM 424 N ALA A 28 -21.302 9.072 -17.646 1.00 0.00 N ATOM 425 CA ALA A 28 -20.767 10.285 -18.248 1.00 0.00 C ATOM 426 C ALA A 28 -19.526 9.990 -19.081 1.00 0.00 C ATOM 427 O ALA A 28 -19.277 10.644 -20.094 1.00 0.00 O ATOM 428 CB ALA A 28 -20.439 11.304 -17.166 1.00 0.00 C ATOM 0 H ALA A 28 -21.095 8.967 -16.653 1.00 0.00 H new ATOM 0 HA ALA A 28 -21.528 10.695 -18.911 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -20.040 12.208 -17.626 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -21.344 11.549 -16.611 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.698 10.886 -16.485 1.00 0.00 H new ATOM 434 N ILE A 29 -18.743 9.011 -18.642 1.00 0.00 N ATOM 435 CA ILE A 29 -17.520 8.649 -19.343 1.00 0.00 C ATOM 436 C ILE A 29 -17.584 7.236 -19.921 1.00 0.00 C ATOM 437 O ILE A 29 -18.191 6.336 -19.341 1.00 0.00 O ATOM 438 CB ILE A 29 -16.299 8.777 -18.407 1.00 0.00 C ATOM 439 CG1 ILE A 29 -16.235 10.194 -17.839 1.00 0.00 C ATOM 440 CG2 ILE A 29 -15.015 8.452 -19.145 1.00 0.00 C ATOM 441 CD1 ILE A 29 -15.780 10.252 -16.398 1.00 0.00 C ATOM 0 H ILE A 29 -18.933 8.457 -17.807 1.00 0.00 H new ATOM 0 HA ILE A 29 -17.413 9.345 -20.175 1.00 0.00 H new ATOM 0 HB ILE A 29 -16.410 8.064 -17.590 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.556 10.790 -18.449 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -17.221 10.652 -17.918 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.169 8.549 -18.464 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -15.061 7.431 -19.523 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.890 9.142 -19.979 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -15.759 11.290 -16.064 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -16.471 9.684 -15.775 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.781 9.824 -16.314 1.00 0.00 H new ATOM 453 N GLU A 30 -16.934 7.062 -21.067 1.00 0.00 N ATOM 454 CA GLU A 30 -16.880 5.772 -21.750 1.00 0.00 C ATOM 455 C GLU A 30 -15.461 5.504 -22.244 1.00 0.00 C ATOM 456 O GLU A 30 -14.852 6.362 -22.881 1.00 0.00 O ATOM 457 CB GLU A 30 -17.853 5.746 -22.931 1.00 0.00 C ATOM 458 CG GLU A 30 -19.272 6.148 -22.565 1.00 0.00 C ATOM 459 CD GLU A 30 -20.282 5.733 -23.617 1.00 0.00 C ATOM 460 OE1 GLU A 30 -20.142 4.619 -24.165 1.00 0.00 O ATOM 461 OE2 GLU A 30 -21.211 6.520 -23.892 1.00 0.00 O ATOM 0 H GLU A 30 -16.431 7.808 -21.548 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.169 4.994 -21.043 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -17.485 6.416 -23.708 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.868 4.742 -23.356 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -19.540 5.695 -21.610 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.317 7.229 -22.429 1.00 0.00 H new ATOM 469 N PHE A 31 -14.931 4.323 -21.934 1.00 0.00 N ATOM 470 CA PHE A 31 -13.570 3.964 -22.328 1.00 0.00 C ATOM 471 C PHE A 31 -13.530 3.248 -23.675 1.00 0.00 C ATOM 472 O PHE A 31 -14.468 2.543 -24.044 1.00 0.00 O ATOM 473 CB PHE A 31 -12.933 3.075 -21.253 1.00 0.00 C ATOM 474 CG PHE A 31 -12.932 3.704 -19.891 1.00 0.00 C ATOM 475 CD1 PHE A 31 -12.131 4.801 -19.632 1.00 0.00 C ATOM 476 CD2 PHE A 31 -13.740 3.214 -18.877 1.00 0.00 C ATOM 477 CE1 PHE A 31 -12.136 5.403 -18.390 1.00 0.00 C ATOM 478 CE2 PHE A 31 -13.746 3.810 -17.629 1.00 0.00 C ATOM 479 CZ PHE A 31 -12.942 4.908 -17.388 1.00 0.00 C ATOM 0 H PHE A 31 -15.423 3.598 -21.411 1.00 0.00 H new ATOM 0 HA PHE A 31 -13.005 4.891 -22.429 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -13.471 2.128 -21.208 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -11.907 2.846 -21.541 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.493 5.192 -20.411 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -14.371 2.358 -19.063 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.508 6.262 -18.204 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -14.377 3.418 -16.845 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.945 5.378 -16.415 1.00 0.00 H new ATOM 489 N LEU A 32 -12.423 3.425 -24.397 1.00 0.00 N ATOM 490 CA LEU A 32 -12.249 2.781 -25.693 1.00 0.00 C ATOM 491 C LEU A 32 -11.706 1.370 -25.505 1.00 0.00 C ATOM 492 O LEU A 32 -10.762 1.156 -24.743 1.00 0.00 O ATOM 493 CB LEU A 32 -11.295 3.583 -26.590 1.00 0.00 C ATOM 494 CG LEU A 32 -10.935 2.900 -27.914 1.00 0.00 C ATOM 495 CD1 LEU A 32 -12.182 2.665 -28.749 1.00 0.00 C ATOM 496 CD2 LEU A 32 -9.927 3.728 -28.693 1.00 0.00 C ATOM 0 H LEU A 32 -11.638 4.007 -24.105 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.224 2.738 -26.179 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.749 4.550 -26.807 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.377 3.779 -26.037 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.482 1.935 -27.685 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.907 2.179 -29.685 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.873 2.027 -28.199 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.662 3.620 -28.963 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.687 3.223 -29.629 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.351 4.709 -28.908 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.019 3.847 -28.102 1.00 0.00 H new ATOM 508 N LEU A 33 -12.300 0.413 -26.203 1.00 0.00 N ATOM 509 CA LEU A 33 -11.865 -0.973 -26.107 1.00 0.00 C ATOM 510 C LEU A 33 -11.768 -1.602 -27.490 1.00 0.00 C ATOM 511 O LEU A 33 -12.598 -1.340 -28.358 1.00 0.00 O ATOM 512 CB LEU A 33 -12.824 -1.776 -25.231 1.00 0.00 C ATOM 513 CG LEU A 33 -12.491 -1.763 -23.739 1.00 0.00 C ATOM 514 CD1 LEU A 33 -13.732 -2.058 -22.919 1.00 0.00 C ATOM 515 CD2 LEU A 33 -11.391 -2.768 -23.430 1.00 0.00 C ATOM 0 H LEU A 33 -13.081 0.570 -26.840 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.876 -0.988 -25.648 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.832 -1.385 -25.367 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.833 -2.809 -25.578 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.131 -0.770 -23.472 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.479 -2.045 -21.859 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -14.490 -1.301 -23.120 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -14.121 -3.040 -23.188 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.167 -2.745 -22.364 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.723 -3.768 -23.710 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.495 -2.512 -23.995 1.00 0.00 H new ATOM 527 N LEU A 34 -10.745 -2.423 -27.688 1.00 0.00 N ATOM 528 CA LEU A 34 -10.536 -3.079 -28.971 1.00 0.00 C ATOM 529 C LEU A 34 -10.589 -4.598 -28.829 1.00 0.00 C ATOM 530 O LEU A 34 -9.813 -5.190 -28.077 1.00 0.00 O ATOM 531 CB LEU A 34 -9.192 -2.652 -29.566 1.00 0.00 C ATOM 532 CG LEU A 34 -8.873 -1.159 -29.447 1.00 0.00 C ATOM 533 CD1 LEU A 34 -7.553 -0.843 -30.131 1.00 0.00 C ATOM 534 CD2 LEU A 34 -9.996 -0.322 -30.044 1.00 0.00 C ATOM 0 H LEU A 34 -10.049 -2.650 -26.978 1.00 0.00 H new ATOM 0 HA LEU A 34 -11.339 -2.774 -29.643 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.399 -3.217 -29.076 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.175 -2.928 -30.620 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.784 -0.909 -28.390 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.341 0.222 -30.038 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.753 -1.415 -29.661 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.617 -1.109 -31.186 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.751 0.736 -29.950 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.117 -0.574 -31.098 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.925 -0.528 -29.513 1.00 0.00 H new ATOM 546 N GLN A 35 -11.509 -5.220 -29.560 1.00 0.00 N ATOM 547 CA GLN A 35 -11.668 -6.673 -29.527 1.00 0.00 C ATOM 548 C GLN A 35 -10.392 -7.364 -30.004 1.00 0.00 C ATOM 549 O GLN A 35 -9.542 -6.742 -30.638 1.00 0.00 O ATOM 550 CB GLN A 35 -12.855 -7.094 -30.399 1.00 0.00 C ATOM 551 CG GLN A 35 -13.317 -8.525 -30.168 1.00 0.00 C ATOM 552 CD GLN A 35 -14.618 -8.836 -30.885 1.00 0.00 C ATOM 553 OE1 GLN A 35 -14.653 -9.960 -31.593 1.00 0.00 O flip ATOM 554 NE2 GLN A 35 -15.581 -8.074 -30.809 1.00 0.00 N flip ATOM 0 H GLN A 35 -12.158 -4.741 -30.184 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.861 -6.976 -28.498 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.689 -6.419 -30.209 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.582 -6.976 -31.448 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.544 -9.213 -30.509 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.445 -8.694 -29.099 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.513 -7.220 -30.255 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.447 -8.296 -31.300 1.00 0.00 H new ATOM 563 N ALA A 36 -10.262 -8.650 -29.692 1.00 0.00 N ATOM 564 CA ALA A 36 -9.087 -9.421 -30.090 1.00 0.00 C ATOM 565 C ALA A 36 -9.283 -10.093 -31.445 1.00 0.00 C ATOM 566 O ALA A 36 -8.333 -10.621 -32.023 1.00 0.00 O ATOM 567 CB ALA A 36 -8.759 -10.462 -29.033 1.00 0.00 C ATOM 0 H ALA A 36 -10.955 -9.181 -29.165 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.253 -8.725 -30.183 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.881 -11.030 -29.342 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.555 -9.965 -28.084 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.605 -11.138 -28.914 1.00 0.00 H new ATOM 573 N SER A 37 -10.517 -10.080 -31.943 1.00 0.00 N ATOM 574 CA SER A 37 -10.847 -10.694 -33.228 1.00 0.00 C ATOM 575 C SER A 37 -10.859 -12.214 -33.118 1.00 0.00 C ATOM 576 O SER A 37 -11.877 -12.857 -33.380 1.00 0.00 O ATOM 577 CB SER A 37 -9.858 -10.254 -34.318 1.00 0.00 C ATOM 578 OG SER A 37 -8.695 -11.061 -34.319 1.00 0.00 O ATOM 0 H SER A 37 -11.311 -9.647 -31.472 1.00 0.00 H new ATOM 0 HA SER A 37 -11.845 -10.357 -33.508 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.341 -10.309 -35.293 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.579 -9.212 -34.159 1.00 0.00 H new ATOM 0 HG SER A 37 -8.102 -10.781 -33.591 1.00 0.00 H new ATOM 584 N ASP A 38 -9.725 -12.787 -32.732 1.00 0.00 N ATOM 585 CA ASP A 38 -9.608 -14.235 -32.592 1.00 0.00 C ATOM 586 C ASP A 38 -9.303 -14.619 -31.150 1.00 0.00 C ATOM 587 O ASP A 38 -9.032 -13.760 -30.311 1.00 0.00 O ATOM 588 CB ASP A 38 -8.519 -14.766 -33.523 1.00 0.00 C ATOM 589 CG ASP A 38 -8.732 -14.341 -34.963 1.00 0.00 C ATOM 590 OD1 ASP A 38 -7.829 -13.690 -35.531 1.00 0.00 O ATOM 591 OD2 ASP A 38 -9.803 -14.658 -35.522 1.00 0.00 O ATOM 0 H ASP A 38 -8.873 -12.272 -32.510 1.00 0.00 H new ATOM 0 HA ASP A 38 -10.562 -14.685 -32.869 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.547 -14.409 -33.182 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.496 -15.854 -33.468 1.00 0.00 H new ATOM 597 N GLY A 39 -9.349 -15.917 -30.866 1.00 0.00 N ATOM 598 CA GLY A 39 -9.077 -16.391 -29.523 1.00 0.00 C ATOM 599 C GLY A 39 -10.247 -16.179 -28.585 1.00 0.00 C ATOM 600 O GLY A 39 -11.365 -16.612 -28.867 1.00 0.00 O ATOM 0 H GLY A 39 -9.570 -16.648 -31.542 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.832 -17.452 -29.559 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.202 -15.875 -29.129 1.00 0.00 H new ATOM 604 N ILE A 40 -9.991 -15.512 -27.467 1.00 0.00 N ATOM 605 CA ILE A 40 -11.028 -15.239 -26.482 1.00 0.00 C ATOM 606 C ILE A 40 -11.748 -13.921 -26.785 1.00 0.00 C ATOM 607 O ILE A 40 -12.693 -13.546 -26.091 1.00 0.00 O ATOM 608 CB ILE A 40 -10.433 -15.189 -25.058 1.00 0.00 C ATOM 609 CG1 ILE A 40 -11.535 -15.005 -24.012 1.00 0.00 C ATOM 610 CG2 ILE A 40 -9.404 -14.076 -24.953 1.00 0.00 C ATOM 611 CD1 ILE A 40 -11.018 -14.982 -22.592 1.00 0.00 C ATOM 0 H ILE A 40 -9.070 -15.149 -27.220 1.00 0.00 H new ATOM 0 HA ILE A 40 -11.752 -16.052 -26.537 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.937 -16.139 -24.861 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -12.064 -14.074 -24.213 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -12.260 -15.812 -24.114 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.994 -14.054 -23.943 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -8.600 -14.255 -25.667 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.879 -13.120 -25.173 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -11.852 -14.849 -21.903 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -10.514 -15.923 -22.373 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -10.315 -14.158 -22.474 1.00 0.00 H new ATOM 623 N HIS A 41 -11.300 -13.221 -27.827 1.00 0.00 N ATOM 624 CA HIS A 41 -11.908 -11.953 -28.215 1.00 0.00 C ATOM 625 C HIS A 41 -11.796 -10.939 -27.084 1.00 0.00 C ATOM 626 O HIS A 41 -12.672 -10.094 -26.902 1.00 0.00 O ATOM 627 CB HIS A 41 -13.379 -12.156 -28.588 1.00 0.00 C ATOM 628 CG HIS A 41 -13.578 -13.123 -29.717 1.00 0.00 C ATOM 629 ND1 HIS A 41 -12.953 -14.350 -29.779 1.00 0.00 N ATOM 630 CD2 HIS A 41 -14.338 -13.035 -30.836 1.00 0.00 C ATOM 631 CE1 HIS A 41 -13.317 -14.973 -30.886 1.00 0.00 C ATOM 632 NE2 HIS A 41 -14.156 -14.195 -31.545 1.00 0.00 N ATOM 0 H HIS A 41 -10.519 -13.512 -28.415 1.00 0.00 H new ATOM 0 HA HIS A 41 -11.373 -11.571 -29.085 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -13.922 -12.513 -27.713 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.813 -11.194 -28.862 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -14.970 -12.205 -31.117 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -12.985 -15.952 -31.199 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.597 -14.420 -32.437 1.00 0.00 H new ATOM 641 N HIS A 42 -10.707 -11.029 -26.330 1.00 0.00 N ATOM 642 CA HIS A 42 -10.474 -10.119 -25.216 1.00 0.00 C ATOM 643 C HIS A 42 -10.376 -8.682 -25.708 1.00 0.00 C ATOM 644 O HIS A 42 -9.798 -8.412 -26.761 1.00 0.00 O ATOM 645 CB HIS A 42 -9.201 -10.511 -24.463 1.00 0.00 C ATOM 646 CG HIS A 42 -7.964 -10.485 -25.309 1.00 0.00 C ATOM 647 ND1 HIS A 42 -7.542 -11.560 -26.061 1.00 0.00 N ATOM 648 CD2 HIS A 42 -7.051 -9.506 -25.513 1.00 0.00 C ATOM 649 CE1 HIS A 42 -6.424 -11.244 -26.691 1.00 0.00 C ATOM 650 NE2 HIS A 42 -6.105 -10.004 -26.375 1.00 0.00 N ATOM 0 H HIS A 42 -9.972 -11.722 -26.470 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.320 -10.192 -24.532 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.067 -9.834 -23.619 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.327 -11.512 -24.052 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.064 -8.517 -25.079 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.867 -11.891 -27.352 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -5.288 -9.497 -26.716 1.00 0.00 H new ATOM 659 N TRP A 43 -10.950 -7.763 -24.944 1.00 0.00 N ATOM 660 CA TRP A 43 -10.935 -6.352 -25.304 1.00 0.00 C ATOM 661 C TRP A 43 -9.884 -5.596 -24.503 1.00 0.00 C ATOM 662 O TRP A 43 -9.930 -5.562 -23.273 1.00 0.00 O ATOM 663 CB TRP A 43 -12.316 -5.742 -25.079 1.00 0.00 C ATOM 664 CG TRP A 43 -13.394 -6.439 -25.850 1.00 0.00 C ATOM 665 CD1 TRP A 43 -13.901 -7.682 -25.604 1.00 0.00 C ATOM 666 CD2 TRP A 43 -14.089 -5.942 -26.998 1.00 0.00 C ATOM 667 NE1 TRP A 43 -14.878 -7.982 -26.523 1.00 0.00 N ATOM 668 CE2 TRP A 43 -15.011 -6.931 -27.389 1.00 0.00 C ATOM 669 CE3 TRP A 43 -14.027 -4.755 -27.731 1.00 0.00 C ATOM 670 CZ2 TRP A 43 -15.860 -6.770 -28.478 1.00 0.00 C ATOM 671 CZ3 TRP A 43 -14.870 -4.600 -28.814 1.00 0.00 C ATOM 672 CH2 TRP A 43 -15.778 -5.599 -29.176 1.00 0.00 C ATOM 0 H TRP A 43 -11.433 -7.970 -24.070 1.00 0.00 H new ATOM 0 HA TRP A 43 -10.677 -6.269 -26.360 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -12.555 -5.779 -24.016 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -12.294 -4.690 -25.365 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -13.581 -8.334 -24.805 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -15.417 -8.848 -26.554 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -13.334 -3.974 -27.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -16.559 -7.543 -28.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -14.827 -3.689 -29.392 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -16.428 -5.442 -30.024 1.00 0.00 H new ATOM 683 N THR A 44 -8.931 -5.000 -25.209 1.00 0.00 N ATOM 684 CA THR A 44 -7.860 -4.249 -24.568 1.00 0.00 C ATOM 685 C THR A 44 -7.551 -2.974 -25.347 1.00 0.00 C ATOM 686 O THR A 44 -7.566 -2.971 -26.579 1.00 0.00 O ATOM 687 CB THR A 44 -6.600 -5.112 -24.469 1.00 0.00 C ATOM 688 OG1 THR A 44 -6.461 -5.931 -25.617 1.00 0.00 O ATOM 689 CG2 THR A 44 -6.586 -6.018 -23.257 1.00 0.00 C ATOM 0 H THR A 44 -8.878 -5.023 -26.227 1.00 0.00 H new ATOM 0 HA THR A 44 -8.189 -3.973 -23.566 1.00 0.00 H new ATOM 0 HB THR A 44 -5.774 -4.405 -24.384 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.238 -5.373 -26.392 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.665 -6.601 -23.249 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.641 -5.415 -22.351 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.442 -6.692 -23.297 1.00 0.00 H new ATOM 697 N PRO A 45 -7.262 -1.867 -24.643 1.00 0.00 N ATOM 698 CA PRO A 45 -6.946 -0.588 -25.282 1.00 0.00 C ATOM 699 C PRO A 45 -5.782 -0.707 -26.257 1.00 0.00 C ATOM 700 O PRO A 45 -5.060 -1.705 -26.261 1.00 0.00 O ATOM 701 CB PRO A 45 -6.568 0.323 -24.113 1.00 0.00 C ATOM 702 CG PRO A 45 -7.221 -0.290 -22.924 1.00 0.00 C ATOM 703 CD PRO A 45 -7.216 -1.771 -23.172 1.00 0.00 C ATOM 0 HA PRO A 45 -7.783 -0.214 -25.872 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.487 0.376 -23.987 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.920 1.342 -24.276 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.679 -0.045 -22.011 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.238 0.082 -22.801 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.322 -2.244 -22.765 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.074 -2.260 -22.710 1.00 0.00 H new ATOM 711 N PRO A 46 -5.584 0.316 -27.098 1.00 0.00 N ATOM 712 CA PRO A 46 -4.501 0.333 -28.084 1.00 0.00 C ATOM 713 C PRO A 46 -3.124 0.316 -27.426 1.00 0.00 C ATOM 714 O PRO A 46 -2.496 1.361 -27.254 1.00 0.00 O ATOM 715 CB PRO A 46 -4.711 1.653 -28.832 1.00 0.00 C ATOM 716 CG PRO A 46 -6.106 2.073 -28.521 1.00 0.00 C ATOM 717 CD PRO A 46 -6.401 1.538 -27.156 1.00 0.00 C ATOM 0 HA PRO A 46 -4.528 -0.545 -28.729 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.993 2.406 -28.507 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.571 1.522 -29.905 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.201 3.159 -28.544 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.806 1.676 -29.256 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.124 2.247 -26.376 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.462 1.321 -27.028 1.00 0.00 H new ATOM 725 N LYS A 47 -2.659 -0.872 -27.058 1.00 0.00 N ATOM 726 CA LYS A 47 -1.358 -1.008 -26.414 1.00 0.00 C ATOM 727 C LYS A 47 -0.242 -1.141 -27.442 1.00 0.00 C ATOM 728 O LYS A 47 -0.470 -1.559 -28.577 1.00 0.00 O ATOM 729 CB LYS A 47 -1.346 -2.216 -25.476 1.00 0.00 C ATOM 730 CG LYS A 47 -1.604 -3.539 -26.177 1.00 0.00 C ATOM 731 CD LYS A 47 -2.034 -4.614 -25.194 1.00 0.00 C ATOM 732 CE LYS A 47 -2.271 -5.946 -25.889 1.00 0.00 C ATOM 733 NZ LYS A 47 -3.692 -6.114 -26.304 1.00 0.00 N ATOM 0 H LYS A 47 -3.160 -1.750 -27.193 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.183 -0.103 -25.833 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.380 -2.264 -24.973 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.101 -2.072 -24.703 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.377 -3.406 -26.934 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.701 -3.859 -26.696 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.268 -4.734 -24.427 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.946 -4.300 -24.687 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.627 -6.017 -26.765 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.990 -6.759 -25.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.845 -7.089 -26.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.315 -5.921 -25.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.909 -5.450 -27.074 1.00 0.00 H new ATOM 747 N GLY A 48 0.970 -0.784 -27.029 1.00 0.00 N ATOM 748 CA GLY A 48 2.116 -0.869 -27.914 1.00 0.00 C ATOM 749 C GLY A 48 3.376 -1.297 -27.185 1.00 0.00 C ATOM 750 O GLY A 48 3.348 -1.550 -25.980 1.00 0.00 O ATOM 0 H GLY A 48 1.179 -0.436 -26.093 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.903 -1.578 -28.714 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.282 0.100 -28.384 1.00 0.00 H new ATOM 754 N HIS A 49 4.478 -1.377 -27.919 1.00 0.00 N ATOM 755 CA HIS A 49 5.761 -1.778 -27.345 1.00 0.00 C ATOM 756 C HIS A 49 6.706 -0.583 -27.262 1.00 0.00 C ATOM 757 O HIS A 49 7.051 0.012 -28.282 1.00 0.00 O ATOM 758 CB HIS A 49 6.389 -2.875 -28.204 1.00 0.00 C ATOM 759 CG HIS A 49 7.196 -3.870 -27.432 1.00 0.00 C ATOM 760 ND1 HIS A 49 8.275 -3.523 -26.646 1.00 0.00 N ATOM 761 CD2 HIS A 49 7.085 -5.215 -27.339 1.00 0.00 C ATOM 762 CE1 HIS A 49 8.794 -4.613 -26.107 1.00 0.00 C ATOM 763 NE2 HIS A 49 8.089 -5.654 -26.512 1.00 0.00 N ATOM 0 H HIS A 49 4.512 -1.169 -28.917 1.00 0.00 H new ATOM 0 HA HIS A 49 5.590 -2.158 -26.338 1.00 0.00 H new ATOM 0 HB2 HIS A 49 5.597 -3.401 -28.738 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.027 -2.412 -28.956 1.00 0.00 H new ATOM 0 HD1 HIS A 49 8.619 -2.573 -26.503 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.343 -5.830 -27.826 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.649 -4.647 -25.448 1.00 0.00 H new ATOM 772 N VAL A 50 7.120 -0.231 -26.049 1.00 0.00 N ATOM 773 CA VAL A 50 8.023 0.900 -25.866 1.00 0.00 C ATOM 774 C VAL A 50 9.478 0.448 -25.850 1.00 0.00 C ATOM 775 O VAL A 50 9.833 -0.534 -25.204 1.00 0.00 O ATOM 776 CB VAL A 50 7.695 1.716 -24.586 1.00 0.00 C ATOM 777 CG1 VAL A 50 7.409 0.814 -23.399 1.00 0.00 C ATOM 778 CG2 VAL A 50 8.815 2.695 -24.256 1.00 0.00 C ATOM 0 H VAL A 50 6.849 -0.706 -25.188 1.00 0.00 H new ATOM 0 HA VAL A 50 7.873 1.559 -26.721 1.00 0.00 H new ATOM 0 HB VAL A 50 6.790 2.286 -24.794 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.184 1.424 -22.524 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.555 0.175 -23.625 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.282 0.194 -23.194 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.558 3.252 -23.355 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.742 2.145 -24.090 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.948 3.389 -25.086 1.00 0.00 H new ATOM 788 N GLU A 51 10.311 1.178 -26.574 1.00 0.00 N ATOM 789 CA GLU A 51 11.731 0.871 -26.657 1.00 0.00 C ATOM 790 C GLU A 51 12.498 1.672 -25.606 1.00 0.00 C ATOM 791 O GLU A 51 12.061 2.748 -25.196 1.00 0.00 O ATOM 792 CB GLU A 51 12.225 1.152 -28.086 1.00 0.00 C ATOM 793 CG GLU A 51 13.728 1.327 -28.243 1.00 0.00 C ATOM 794 CD GLU A 51 14.080 2.264 -29.382 1.00 0.00 C ATOM 795 OE1 GLU A 51 14.871 3.203 -29.158 1.00 0.00 O ATOM 796 OE2 GLU A 51 13.564 2.056 -30.501 1.00 0.00 O ATOM 0 H GLU A 51 10.026 1.993 -27.117 1.00 0.00 H new ATOM 0 HA GLU A 51 11.906 -0.184 -26.445 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.904 0.332 -28.729 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.733 2.054 -28.450 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.146 1.714 -27.314 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.189 0.355 -28.419 1.00 0.00 H new ATOM 804 N PRO A 52 13.641 1.148 -25.138 1.00 0.00 N ATOM 805 CA PRO A 52 14.454 1.811 -24.111 1.00 0.00 C ATOM 806 C PRO A 52 14.822 3.242 -24.489 1.00 0.00 C ATOM 807 O PRO A 52 15.114 4.068 -23.624 1.00 0.00 O ATOM 808 CB PRO A 52 15.710 0.932 -24.006 1.00 0.00 C ATOM 809 CG PRO A 52 15.674 0.037 -25.201 1.00 0.00 C ATOM 810 CD PRO A 52 14.225 -0.131 -25.558 1.00 0.00 C ATOM 0 HA PRO A 52 13.913 1.902 -23.169 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.615 1.540 -23.999 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.707 0.353 -23.082 1.00 0.00 H new ATOM 0 HG2 PRO A 52 16.231 0.473 -26.030 1.00 0.00 H new ATOM 0 HG3 PRO A 52 16.134 -0.926 -24.980 1.00 0.00 H new ATOM 0 HD2 PRO A 52 14.088 -0.308 -26.625 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.774 -0.974 -25.035 1.00 0.00 H new ATOM 818 N GLY A 53 14.784 3.534 -25.780 1.00 0.00 N ATOM 819 CA GLY A 53 15.090 4.867 -26.255 1.00 0.00 C ATOM 820 C GLY A 53 13.833 5.669 -26.530 1.00 0.00 C ATOM 821 O GLY A 53 13.884 6.889 -26.683 1.00 0.00 O ATOM 0 H GLY A 53 14.545 2.866 -26.512 1.00 0.00 H new ATOM 0 HA2 GLY A 53 15.698 5.386 -25.514 1.00 0.00 H new ATOM 0 HA3 GLY A 53 15.685 4.801 -27.166 1.00 0.00 H new ATOM 825 N GLU A 54 12.699 4.975 -26.590 1.00 0.00 N ATOM 826 CA GLU A 54 11.414 5.612 -26.844 1.00 0.00 C ATOM 827 C GLU A 54 10.832 6.183 -25.555 1.00 0.00 C ATOM 828 O GLU A 54 11.320 5.892 -24.463 1.00 0.00 O ATOM 829 CB GLU A 54 10.440 4.599 -27.452 1.00 0.00 C ATOM 830 CG GLU A 54 9.395 5.226 -28.360 1.00 0.00 C ATOM 831 CD GLU A 54 8.513 4.192 -29.032 1.00 0.00 C ATOM 832 OE1 GLU A 54 9.059 3.220 -29.595 1.00 0.00 O ATOM 833 OE2 GLU A 54 7.275 4.355 -28.996 1.00 0.00 O ATOM 0 H GLU A 54 12.647 3.964 -26.465 1.00 0.00 H new ATOM 0 HA GLU A 54 11.567 6.431 -27.547 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.005 3.860 -28.020 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.936 4.065 -26.647 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.773 5.906 -27.777 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.893 5.824 -29.123 1.00 0.00 H new ATOM 841 N ASP A 55 9.788 6.998 -25.682 1.00 0.00 N ATOM 842 CA ASP A 55 9.149 7.597 -24.518 1.00 0.00 C ATOM 843 C ASP A 55 8.101 6.655 -23.932 1.00 0.00 C ATOM 844 O ASP A 55 7.645 5.721 -24.592 1.00 0.00 O ATOM 845 CB ASP A 55 8.501 8.929 -24.890 1.00 0.00 C ATOM 846 CG ASP A 55 7.763 9.568 -23.728 1.00 0.00 C ATOM 847 OD1 ASP A 55 8.430 10.161 -22.855 1.00 0.00 O ATOM 848 OD2 ASP A 55 6.518 9.474 -23.692 1.00 0.00 O ATOM 0 H ASP A 55 9.370 7.257 -26.576 1.00 0.00 H new ATOM 0 HA ASP A 55 9.917 7.776 -23.766 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.269 9.614 -25.248 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.805 8.772 -25.714 1.00 0.00 H new ATOM 854 N ASP A 56 7.729 6.910 -22.682 1.00 0.00 N ATOM 855 CA ASP A 56 6.740 6.095 -21.987 1.00 0.00 C ATOM 856 C ASP A 56 5.331 6.335 -22.534 1.00 0.00 C ATOM 857 O ASP A 56 4.704 5.429 -23.091 1.00 0.00 O ATOM 858 CB ASP A 56 6.783 6.400 -20.486 1.00 0.00 C ATOM 859 CG ASP A 56 7.530 5.342 -19.698 1.00 0.00 C ATOM 860 OD1 ASP A 56 6.946 4.266 -19.445 1.00 0.00 O ATOM 861 OD2 ASP A 56 8.698 5.588 -19.331 1.00 0.00 O ATOM 0 H ASP A 56 8.101 7.680 -22.127 1.00 0.00 H new ATOM 0 HA ASP A 56 6.986 5.046 -22.154 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.259 7.368 -20.329 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.765 6.480 -20.106 1.00 0.00 H new ATOM 867 N LEU A 57 4.836 7.560 -22.377 1.00 0.00 N ATOM 868 CA LEU A 57 3.500 7.906 -22.858 1.00 0.00 C ATOM 869 C LEU A 57 3.440 7.861 -24.378 1.00 0.00 C ATOM 870 O LEU A 57 2.455 7.409 -24.956 1.00 0.00 O ATOM 871 CB LEU A 57 3.088 9.294 -22.356 1.00 0.00 C ATOM 872 CG LEU A 57 1.725 9.784 -22.853 1.00 0.00 C ATOM 873 CD1 LEU A 57 0.651 8.733 -22.633 1.00 0.00 C ATOM 874 CD2 LEU A 57 1.339 11.082 -22.167 1.00 0.00 C ATOM 0 H LEU A 57 5.335 8.325 -21.924 1.00 0.00 H new ATOM 0 HA LEU A 57 2.801 7.168 -22.463 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.077 9.281 -21.266 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.848 10.014 -22.659 1.00 0.00 H new ATOM 0 HG LEU A 57 1.808 9.967 -23.924 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.306 9.109 -22.995 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.914 7.825 -23.176 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.573 8.509 -21.569 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.368 11.413 -22.534 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.284 10.922 -21.090 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.087 11.844 -22.383 1.00 0.00 H new ATOM 886 N GLU A 58 4.502 8.328 -25.020 1.00 0.00 N ATOM 887 CA GLU A 58 4.575 8.345 -26.481 1.00 0.00 C ATOM 888 C GLU A 58 4.205 6.986 -27.061 1.00 0.00 C ATOM 889 O GLU A 58 3.408 6.899 -27.995 1.00 0.00 O ATOM 890 CB GLU A 58 5.989 8.729 -26.912 1.00 0.00 C ATOM 891 CG GLU A 58 6.075 9.981 -27.763 1.00 0.00 C ATOM 892 CD GLU A 58 7.394 10.709 -27.594 1.00 0.00 C ATOM 893 OE1 GLU A 58 8.435 10.149 -27.992 1.00 0.00 O ATOM 894 OE2 GLU A 58 7.385 11.840 -27.064 1.00 0.00 O ATOM 0 H GLU A 58 5.329 8.702 -24.554 1.00 0.00 H new ATOM 0 HA GLU A 58 3.863 9.079 -26.859 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.600 8.870 -26.020 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.423 7.898 -27.468 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.943 9.713 -28.811 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.257 10.652 -27.500 1.00 0.00 H new ATOM 902 N THR A 59 4.771 5.920 -26.498 1.00 0.00 N ATOM 903 CA THR A 59 4.466 4.576 -26.968 1.00 0.00 C ATOM 904 C THR A 59 2.971 4.309 -26.844 1.00 0.00 C ATOM 905 O THR A 59 2.332 3.850 -27.790 1.00 0.00 O ATOM 906 CB THR A 59 5.268 3.532 -26.187 1.00 0.00 C ATOM 907 OG1 THR A 59 6.661 3.742 -26.354 1.00 0.00 O ATOM 908 CG2 THR A 59 4.965 2.109 -26.610 1.00 0.00 C ATOM 0 H THR A 59 5.435 5.962 -25.725 1.00 0.00 H new ATOM 0 HA THR A 59 4.750 4.501 -28.018 1.00 0.00 H new ATOM 0 HB THR A 59 4.972 3.657 -25.146 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.962 4.445 -25.741 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.566 1.418 -26.019 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.907 1.899 -26.450 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.204 1.985 -27.666 1.00 0.00 H new ATOM 916 N ALA A 60 2.413 4.633 -25.681 1.00 0.00 N ATOM 917 CA ALA A 60 0.985 4.452 -25.456 1.00 0.00 C ATOM 918 C ALA A 60 0.189 5.384 -26.365 1.00 0.00 C ATOM 919 O ALA A 60 -0.930 5.070 -26.766 1.00 0.00 O ATOM 920 CB ALA A 60 0.640 4.703 -23.996 1.00 0.00 C ATOM 0 H ALA A 60 2.924 5.019 -24.887 1.00 0.00 H new ATOM 0 HA ALA A 60 0.720 3.422 -25.696 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.431 4.563 -23.846 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.189 4.002 -23.367 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.914 5.723 -23.728 1.00 0.00 H new ATOM 926 N LEU A 61 0.785 6.532 -26.689 1.00 0.00 N ATOM 927 CA LEU A 61 0.152 7.520 -27.558 1.00 0.00 C ATOM 928 C LEU A 61 0.124 7.037 -29.001 1.00 0.00 C ATOM 929 O LEU A 61 -0.928 7.005 -29.640 1.00 0.00 O ATOM 930 CB LEU A 61 0.931 8.826 -27.496 1.00 0.00 C ATOM 931 CG LEU A 61 0.857 9.572 -26.171 1.00 0.00 C ATOM 932 CD1 LEU A 61 1.754 10.798 -26.220 1.00 0.00 C ATOM 933 CD2 LEU A 61 -0.577 9.958 -25.852 1.00 0.00 C ATOM 0 H LEU A 61 1.712 6.800 -26.359 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.871 7.670 -27.213 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.978 8.615 -27.716 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.566 9.484 -28.284 1.00 0.00 H new ATOM 0 HG LEU A 61 1.208 8.916 -25.375 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.697 11.328 -25.269 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.783 10.489 -26.402 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.425 11.457 -27.023 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.608 10.490 -24.901 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.964 10.602 -26.641 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.189 9.059 -25.785 1.00 0.00 H new ATOM 945 N ARG A 62 1.295 6.665 -29.505 1.00 0.00 N ATOM 946 CA ARG A 62 1.417 6.185 -30.873 1.00 0.00 C ATOM 947 C ARG A 62 0.641 4.890 -31.056 1.00 0.00 C ATOM 948 O ARG A 62 0.086 4.638 -32.122 1.00 0.00 O ATOM 949 CB ARG A 62 2.890 5.983 -31.241 1.00 0.00 C ATOM 950 CG ARG A 62 3.331 6.827 -32.425 1.00 0.00 C ATOM 951 CD ARG A 62 4.847 6.911 -32.523 1.00 0.00 C ATOM 952 NE ARG A 62 5.276 7.970 -33.434 1.00 0.00 N ATOM 953 CZ ARG A 62 5.126 9.269 -33.181 1.00 0.00 C ATOM 954 NH1 ARG A 62 4.550 9.672 -32.055 1.00 0.00 N ATOM 955 NH2 ARG A 62 5.551 10.168 -34.058 1.00 0.00 N ATOM 0 H ARG A 62 2.172 6.687 -28.985 1.00 0.00 H new ATOM 0 HA ARG A 62 0.994 6.937 -31.540 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.510 6.226 -30.378 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.060 4.931 -31.469 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.930 6.401 -33.345 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.916 7.831 -32.331 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.265 7.092 -31.533 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.242 5.955 -32.866 1.00 0.00 H new ATOM 0 HE ARG A 62 5.715 7.699 -34.314 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.219 8.985 -31.377 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.438 10.668 -31.868 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.993 9.865 -34.926 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.436 11.163 -33.865 1.00 0.00 H new ATOM 969 N ALA A 63 0.588 4.083 -30.005 1.00 0.00 N ATOM 970 CA ALA A 63 -0.145 2.829 -30.058 1.00 0.00 C ATOM 971 C ALA A 63 -1.637 3.107 -30.164 1.00 0.00 C ATOM 972 O ALA A 63 -2.380 2.353 -30.793 1.00 0.00 O ATOM 973 CB ALA A 63 0.161 1.980 -28.835 1.00 0.00 C ATOM 0 H ALA A 63 1.041 4.274 -29.111 1.00 0.00 H new ATOM 0 HA ALA A 63 0.170 2.272 -30.941 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.397 1.045 -28.892 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.229 1.764 -28.800 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.129 2.521 -27.934 1.00 0.00 H new ATOM 979 N THR A 64 -2.063 4.210 -29.554 1.00 0.00 N ATOM 980 CA THR A 64 -3.463 4.612 -29.590 1.00 0.00 C ATOM 981 C THR A 64 -3.912 4.847 -31.021 1.00 0.00 C ATOM 982 O THR A 64 -4.925 4.307 -31.460 1.00 0.00 O ATOM 983 CB THR A 64 -3.679 5.873 -28.758 1.00 0.00 C ATOM 984 OG1 THR A 64 -3.116 5.726 -27.468 1.00 0.00 O ATOM 985 CG2 THR A 64 -5.137 6.216 -28.578 1.00 0.00 C ATOM 0 H THR A 64 -1.457 4.841 -29.029 1.00 0.00 H new ATOM 0 HA THR A 64 -4.061 3.806 -29.164 1.00 0.00 H new ATOM 0 HB THR A 64 -3.192 6.675 -29.312 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.138 5.738 -27.534 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.226 7.122 -27.978 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.595 6.380 -29.553 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.644 5.394 -28.072 1.00 0.00 H new ATOM 993 N GLN A 65 -3.148 5.650 -31.748 1.00 0.00 N ATOM 994 CA GLN A 65 -3.468 5.947 -33.132 1.00 0.00 C ATOM 995 C GLN A 65 -3.125 4.768 -34.040 1.00 0.00 C ATOM 996 O GLN A 65 -3.652 4.653 -35.146 1.00 0.00 O ATOM 997 CB GLN A 65 -2.751 7.219 -33.597 1.00 0.00 C ATOM 998 CG GLN A 65 -1.237 7.091 -33.634 1.00 0.00 C ATOM 999 CD GLN A 65 -0.680 7.137 -35.043 1.00 0.00 C ATOM 1000 OE1 GLN A 65 -1.021 8.020 -35.830 1.00 0.00 O ATOM 1001 NE2 GLN A 65 0.182 6.180 -35.370 1.00 0.00 N ATOM 0 H GLN A 65 -2.304 6.106 -31.401 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.542 6.120 -33.197 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.108 7.483 -34.592 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.021 8.040 -32.933 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.794 7.895 -33.046 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.944 6.153 -33.162 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.437 5.468 -34.686 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.589 6.158 -36.305 1.00 0.00 H new ATOM 1010 N GLU A 66 -2.248 3.890 -33.566 1.00 0.00 N ATOM 1011 CA GLU A 66 -1.848 2.720 -34.339 1.00 0.00 C ATOM 1012 C GLU A 66 -2.915 1.628 -34.274 1.00 0.00 C ATOM 1013 O GLU A 66 -3.169 0.938 -35.262 1.00 0.00 O ATOM 1014 CB GLU A 66 -0.516 2.172 -33.822 1.00 0.00 C ATOM 1015 CG GLU A 66 0.544 2.022 -34.898 1.00 0.00 C ATOM 1016 CD GLU A 66 0.413 0.724 -35.673 1.00 0.00 C ATOM 1017 OE1 GLU A 66 0.547 0.757 -36.913 1.00 0.00 O ATOM 1018 OE2 GLU A 66 0.177 -0.324 -35.037 1.00 0.00 O ATOM 0 H GLU A 66 -1.801 3.966 -32.652 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.731 3.028 -35.378 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.139 2.835 -33.043 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.689 1.201 -33.358 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.475 2.862 -35.590 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.531 2.068 -34.438 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.529 1.467 -33.105 1.00 0.00 N ATOM 1027 CA GLU A 67 -4.557 0.445 -32.917 1.00 0.00 C ATOM 1028 C GLU A 67 -5.950 1.063 -32.747 1.00 0.00 C ATOM 1029 O GLU A 67 -6.939 0.344 -32.603 1.00 0.00 O ATOM 1030 CB GLU A 67 -4.203 -0.435 -31.713 1.00 0.00 C ATOM 1031 CG GLU A 67 -2.987 -1.320 -31.954 1.00 0.00 C ATOM 1032 CD GLU A 67 -2.529 -2.053 -30.707 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -1.516 -2.780 -30.788 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -3.180 -1.904 -29.653 1.00 0.00 O ATOM 0 H GLU A 67 -3.334 2.028 -32.276 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.587 -0.172 -33.815 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.015 0.202 -30.848 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.059 -1.064 -31.466 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.223 -2.048 -32.730 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.168 -0.707 -32.330 1.00 0.00 H new ATOM 1042 N ALA A 68 -6.025 2.394 -32.779 1.00 0.00 N ATOM 1043 CA ALA A 68 -7.303 3.094 -32.642 1.00 0.00 C ATOM 1044 C ALA A 68 -7.391 4.308 -33.557 1.00 0.00 C ATOM 1045 O ALA A 68 -8.461 4.896 -33.707 1.00 0.00 O ATOM 1046 CB ALA A 68 -7.532 3.532 -31.207 1.00 0.00 C ATOM 0 H ALA A 68 -5.219 3.007 -32.898 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.078 2.386 -32.935 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.488 4.050 -31.133 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.541 2.657 -30.557 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.731 4.204 -30.899 1.00 0.00 H new ATOM 1052 N GLY A 69 -6.277 4.697 -34.160 1.00 0.00 N ATOM 1053 CA GLY A 69 -6.290 5.850 -35.038 1.00 0.00 C ATOM 1054 C GLY A 69 -6.355 7.169 -34.288 1.00 0.00 C ATOM 1055 O GLY A 69 -6.297 8.235 -34.895 1.00 0.00 O ATOM 0 H GLY A 69 -5.371 4.240 -34.059 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.395 5.836 -35.660 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.145 5.778 -35.710 1.00 0.00 H new ATOM 1059 N ILE A 70 -6.484 7.097 -32.967 1.00 0.00 N ATOM 1060 CA ILE A 70 -6.565 8.293 -32.146 1.00 0.00 C ATOM 1061 C ILE A 70 -5.225 8.600 -31.480 1.00 0.00 C ATOM 1062 O ILE A 70 -4.632 7.746 -30.823 1.00 0.00 O ATOM 1063 CB ILE A 70 -7.662 8.151 -31.068 1.00 0.00 C ATOM 1064 CG1 ILE A 70 -8.910 7.479 -31.654 1.00 0.00 C ATOM 1065 CG2 ILE A 70 -8.020 9.510 -30.496 1.00 0.00 C ATOM 1066 CD1 ILE A 70 -9.757 6.767 -30.622 1.00 0.00 C ATOM 0 H ILE A 70 -6.534 6.222 -32.445 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.823 9.121 -32.806 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.274 7.524 -30.265 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.518 8.234 -32.153 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.603 6.763 -32.416 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.794 9.393 -29.738 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.135 9.959 -30.045 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.388 10.155 -31.294 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.622 6.316 -31.109 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.165 5.989 -30.140 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.095 7.482 -29.872 1.00 0.00 H new ATOM 1078 N GLU A 71 -4.746 9.828 -31.661 1.00 0.00 N ATOM 1079 CA GLU A 71 -3.475 10.248 -31.080 1.00 0.00 C ATOM 1080 C GLU A 71 -3.699 11.255 -29.962 1.00 0.00 C ATOM 1081 O GLU A 71 -4.806 11.748 -29.776 1.00 0.00 O ATOM 1082 CB GLU A 71 -2.579 10.865 -32.154 1.00 0.00 C ATOM 1083 CG GLU A 71 -3.136 12.156 -32.728 1.00 0.00 C ATOM 1084 CD GLU A 71 -2.080 12.984 -33.433 1.00 0.00 C ATOM 1085 OE1 GLU A 71 -1.044 13.283 -32.806 1.00 0.00 O ATOM 1086 OE2 GLU A 71 -2.291 13.334 -34.614 1.00 0.00 O ATOM 0 H GLU A 71 -5.219 10.549 -32.205 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.985 9.367 -30.666 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.594 11.059 -31.729 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.442 10.145 -32.961 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.937 11.922 -33.429 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.578 12.745 -31.925 1.00 0.00 H new ATOM 1094 N ALA A 72 -2.638 11.566 -29.223 1.00 0.00 N ATOM 1095 CA ALA A 72 -2.725 12.525 -28.127 1.00 0.00 C ATOM 1096 C ALA A 72 -3.472 13.785 -28.559 1.00 0.00 C ATOM 1097 O ALA A 72 -4.263 14.343 -27.798 1.00 0.00 O ATOM 1098 CB ALA A 72 -1.337 12.869 -27.621 1.00 0.00 C ATOM 0 H ALA A 72 -1.709 11.168 -29.363 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.288 12.067 -27.314 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.415 13.585 -26.803 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.845 11.964 -27.265 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.752 13.305 -28.431 1.00 0.00 H new ATOM 1104 N GLY A 73 -3.226 14.216 -29.792 1.00 0.00 N ATOM 1105 CA GLY A 73 -3.892 15.396 -30.311 1.00 0.00 C ATOM 1106 C GLY A 73 -5.386 15.190 -30.467 1.00 0.00 C ATOM 1107 O GLY A 73 -6.153 16.152 -30.485 1.00 0.00 O ATOM 0 H GLY A 73 -2.578 13.769 -30.441 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.711 16.237 -29.641 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.461 15.659 -31.277 1.00 0.00 H new ATOM 1111 N GLN A 74 -5.802 13.931 -30.580 1.00 0.00 N ATOM 1112 CA GLN A 74 -7.214 13.607 -30.736 1.00 0.00 C ATOM 1113 C GLN A 74 -7.840 13.193 -29.399 1.00 0.00 C ATOM 1114 O GLN A 74 -9.044 12.946 -29.323 1.00 0.00 O ATOM 1115 CB GLN A 74 -7.395 12.513 -31.792 1.00 0.00 C ATOM 1116 CG GLN A 74 -8.820 12.395 -32.315 1.00 0.00 C ATOM 1117 CD GLN A 74 -8.980 12.953 -33.716 1.00 0.00 C ATOM 1118 OE1 GLN A 74 -9.529 12.145 -34.616 1.00 0.00 O flip ATOM 1119 NE2 GLN A 74 -8.617 14.098 -33.986 1.00 0.00 N flip ATOM 0 H GLN A 74 -5.182 13.121 -30.566 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.734 14.503 -31.076 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -6.726 12.714 -32.629 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.094 11.556 -31.366 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.118 11.347 -32.310 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.495 12.921 -31.640 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.200 14.685 -33.263 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.733 14.460 -34.932 1.00 0.00 H new ATOM 1128 N LEU A 75 -7.024 13.152 -28.338 1.00 0.00 N ATOM 1129 CA LEU A 75 -7.515 12.810 -27.003 1.00 0.00 C ATOM 1130 C LEU A 75 -6.906 13.745 -25.962 1.00 0.00 C ATOM 1131 O LEU A 75 -6.282 14.748 -26.305 1.00 0.00 O ATOM 1132 CB LEU A 75 -7.224 11.343 -26.619 1.00 0.00 C ATOM 1133 CG LEU A 75 -6.329 10.550 -27.572 1.00 0.00 C ATOM 1134 CD1 LEU A 75 -4.922 10.446 -27.012 1.00 0.00 C ATOM 1135 CD2 LEU A 75 -6.900 9.162 -27.805 1.00 0.00 C ATOM 0 H LEU A 75 -6.025 13.351 -28.381 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.598 12.932 -27.024 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.762 11.335 -25.632 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.176 10.819 -26.530 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.290 11.077 -28.525 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.297 9.879 -27.702 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.507 11.446 -26.884 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.951 9.939 -26.048 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.251 8.611 -28.486 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.964 8.631 -26.855 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.895 9.247 -28.242 1.00 0.00 H new ATOM 1147 N THR A 76 -7.098 13.414 -24.691 1.00 0.00 N ATOM 1148 CA THR A 76 -6.575 14.229 -23.600 1.00 0.00 C ATOM 1149 C THR A 76 -5.944 13.368 -22.507 1.00 0.00 C ATOM 1150 O THR A 76 -6.647 12.822 -21.657 1.00 0.00 O ATOM 1151 CB THR A 76 -7.690 15.081 -22.997 1.00 0.00 C ATOM 1152 OG1 THR A 76 -8.385 15.789 -24.007 1.00 0.00 O ATOM 1153 CG2 THR A 76 -7.181 16.086 -21.991 1.00 0.00 C ATOM 0 H THR A 76 -7.612 12.586 -24.390 1.00 0.00 H new ATOM 0 HA THR A 76 -5.801 14.875 -24.015 1.00 0.00 H new ATOM 0 HB THR A 76 -8.353 14.382 -22.488 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.348 15.637 -23.909 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.018 16.662 -21.597 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.684 15.563 -21.174 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.473 16.759 -22.475 1.00 0.00 H new ATOM 1161 N ILE A 77 -4.617 13.265 -22.525 1.00 0.00 N ATOM 1162 CA ILE A 77 -3.898 12.477 -21.526 1.00 0.00 C ATOM 1163 C ILE A 77 -3.915 13.170 -20.167 1.00 0.00 C ATOM 1164 O ILE A 77 -3.490 14.316 -20.036 1.00 0.00 O ATOM 1165 CB ILE A 77 -2.430 12.211 -21.930 1.00 0.00 C ATOM 1166 CG1 ILE A 77 -2.318 11.920 -23.429 1.00 0.00 C ATOM 1167 CG2 ILE A 77 -1.872 11.041 -21.131 1.00 0.00 C ATOM 1168 CD1 ILE A 77 -3.115 10.711 -23.865 1.00 0.00 C ATOM 0 H ILE A 77 -4.019 13.716 -23.218 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.418 11.521 -21.463 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.849 13.107 -21.710 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.659 12.792 -23.988 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.270 11.767 -23.685 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.837 10.862 -21.423 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.914 11.274 -20.067 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.465 10.149 -21.330 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.992 10.561 -24.938 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.759 9.829 -23.332 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.170 10.870 -23.640 1.00 0.00 H new ATOM 1180 N ILE A 78 -4.414 12.461 -19.160 1.00 0.00 N ATOM 1181 CA ILE A 78 -4.499 12.997 -17.808 1.00 0.00 C ATOM 1182 C ILE A 78 -3.198 12.752 -17.045 1.00 0.00 C ATOM 1183 O ILE A 78 -2.591 11.688 -17.149 1.00 0.00 O ATOM 1184 CB ILE A 78 -5.721 12.398 -17.052 1.00 0.00 C ATOM 1185 CG1 ILE A 78 -6.820 13.454 -16.913 1.00 0.00 C ATOM 1186 CG2 ILE A 78 -5.360 11.838 -15.675 1.00 0.00 C ATOM 1187 CD1 ILE A 78 -7.424 13.884 -18.231 1.00 0.00 C ATOM 0 H ILE A 78 -4.767 11.509 -19.257 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.646 14.075 -17.875 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.079 11.560 -17.650 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.610 13.061 -16.273 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.408 14.329 -16.410 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.255 11.436 -15.200 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.621 11.045 -15.787 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.947 12.634 -15.055 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.195 14.633 -18.051 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.647 14.308 -18.866 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.867 13.020 -18.727 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.781 13.756 -16.285 1.00 0.00 N ATOM 1200 CA GLU A 79 -1.553 13.673 -15.498 1.00 0.00 C ATOM 1201 C GLU A 79 -1.855 13.325 -14.045 1.00 0.00 C ATOM 1202 O GLU A 79 -2.929 13.639 -13.532 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.779 14.987 -15.570 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.410 15.397 -16.985 1.00 0.00 C ATOM 1205 CD GLU A 79 0.119 16.815 -17.060 1.00 0.00 C ATOM 1206 OE1 GLU A 79 1.125 17.110 -16.384 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -0.476 17.630 -17.795 1.00 0.00 O ATOM 0 H GLU A 79 -3.277 14.643 -16.195 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.940 12.878 -15.922 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.377 15.777 -15.116 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.131 14.896 -14.978 1.00 0.00 H new ATOM 0 HG2 GLU A 79 0.343 14.711 -17.374 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.287 15.305 -17.626 1.00 0.00 H new ATOM 1215 N GLY A 80 -0.905 12.671 -13.391 1.00 0.00 N ATOM 1216 CA GLY A 80 -1.092 12.287 -12.007 1.00 0.00 C ATOM 1217 C GLY A 80 -1.441 10.821 -11.866 1.00 0.00 C ATOM 1218 O GLY A 80 -1.216 10.222 -10.814 1.00 0.00 O ATOM 0 H GLY A 80 -0.008 12.400 -13.794 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.181 12.498 -11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.885 12.892 -11.567 1.00 0.00 H new ATOM 1222 N PHE A 81 -1.994 10.239 -12.927 1.00 0.00 N ATOM 1223 CA PHE A 81 -2.371 8.836 -12.914 1.00 0.00 C ATOM 1224 C PHE A 81 -1.441 8.015 -13.797 1.00 0.00 C ATOM 1225 O PHE A 81 -1.247 8.329 -14.971 1.00 0.00 O ATOM 1226 CB PHE A 81 -3.811 8.672 -13.393 1.00 0.00 C ATOM 1227 CG PHE A 81 -4.312 7.262 -13.307 1.00 0.00 C ATOM 1228 CD1 PHE A 81 -3.802 6.269 -14.130 1.00 0.00 C ATOM 1229 CD2 PHE A 81 -5.297 6.927 -12.395 1.00 0.00 C ATOM 1230 CE1 PHE A 81 -4.266 4.971 -14.046 1.00 0.00 C ATOM 1231 CE2 PHE A 81 -5.764 5.634 -12.306 1.00 0.00 C ATOM 1232 CZ PHE A 81 -5.249 4.652 -13.131 1.00 0.00 C ATOM 0 H PHE A 81 -2.189 10.721 -13.805 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.288 8.474 -11.889 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.459 9.316 -12.799 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.883 9.013 -14.426 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.032 6.514 -14.846 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.704 7.688 -11.746 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.861 4.208 -14.694 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.534 5.387 -11.590 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.615 3.638 -13.060 1.00 0.00 H new ATOM 1242 N LYS A 82 -0.876 6.953 -13.231 1.00 0.00 N ATOM 1243 CA LYS A 82 0.019 6.081 -13.980 1.00 0.00 C ATOM 1244 C LYS A 82 0.132 4.705 -13.336 1.00 0.00 C ATOM 1245 O LYS A 82 0.432 4.579 -12.149 1.00 0.00 O ATOM 1246 CB LYS A 82 1.406 6.705 -14.109 1.00 0.00 C ATOM 1247 CG LYS A 82 1.985 6.585 -15.508 1.00 0.00 C ATOM 1248 CD LYS A 82 3.476 6.872 -15.521 1.00 0.00 C ATOM 1249 CE LYS A 82 4.263 5.760 -14.850 1.00 0.00 C ATOM 1250 NZ LYS A 82 5.386 6.293 -14.031 1.00 0.00 N ATOM 0 H LYS A 82 -1.022 6.677 -12.260 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.411 5.960 -14.974 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.351 7.758 -13.834 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.081 6.225 -13.400 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.803 5.582 -15.893 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.474 7.280 -16.175 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.816 6.990 -16.550 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.670 7.816 -15.011 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.597 5.175 -14.216 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.656 5.084 -15.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.899 5.503 -13.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.035 6.830 -14.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.009 6.918 -13.290 1.00 0.00 H new ATOM 1264 N ARG A 83 -0.092 3.677 -14.141 1.00 0.00 N ATOM 1265 CA ARG A 83 -0.003 2.299 -13.680 1.00 0.00 C ATOM 1266 C ARG A 83 0.335 1.385 -14.847 1.00 0.00 C ATOM 1267 O ARG A 83 -0.152 1.581 -15.959 1.00 0.00 O ATOM 1268 CB ARG A 83 -1.316 1.855 -13.032 1.00 0.00 C ATOM 1269 CG ARG A 83 -1.198 0.547 -12.262 1.00 0.00 C ATOM 1270 CD ARG A 83 -1.250 0.770 -10.757 1.00 0.00 C ATOM 1271 NE ARG A 83 -2.250 -0.079 -10.113 1.00 0.00 N ATOM 1272 CZ ARG A 83 -3.492 0.313 -9.836 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -3.888 1.544 -10.130 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -4.340 -0.531 -9.261 1.00 0.00 N ATOM 0 H ARG A 83 -0.339 3.773 -15.126 1.00 0.00 H new ATOM 0 HA ARG A 83 0.787 2.236 -12.931 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.661 2.637 -12.355 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.076 1.745 -13.806 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.005 -0.123 -12.558 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.262 0.054 -12.524 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.270 0.567 -10.326 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.477 1.816 -10.553 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.980 -1.030 -9.860 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.240 2.197 -10.571 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.841 1.838 -9.915 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.040 -1.479 -9.032 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.292 -0.232 -9.048 1.00 0.00 H new ATOM 1288 N GLU A 84 1.173 0.386 -14.597 1.00 0.00 N ATOM 1289 CA GLU A 84 1.560 -0.539 -15.650 1.00 0.00 C ATOM 1290 C GLU A 84 1.206 -1.973 -15.280 1.00 0.00 C ATOM 1291 O GLU A 84 1.491 -2.429 -14.172 1.00 0.00 O ATOM 1292 CB GLU A 84 3.054 -0.413 -15.956 1.00 0.00 C ATOM 1293 CG GLU A 84 3.966 -0.935 -14.859 1.00 0.00 C ATOM 1294 CD GLU A 84 3.927 -0.087 -13.604 1.00 0.00 C ATOM 1295 OE1 GLU A 84 4.590 0.971 -13.582 1.00 0.00 O ATOM 1296 OE2 GLU A 84 3.233 -0.480 -12.644 1.00 0.00 O ATOM 0 H GLU A 84 1.592 0.199 -13.686 1.00 0.00 H new ATOM 0 HA GLU A 84 1.001 -0.278 -16.548 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.270 -0.952 -16.878 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.288 0.636 -16.138 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.678 -1.956 -14.610 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.989 -0.974 -15.233 1.00 0.00 H new ATOM 1304 N LEU A 85 0.584 -2.683 -16.215 1.00 0.00 N ATOM 1305 CA LEU A 85 0.191 -4.065 -15.985 1.00 0.00 C ATOM 1306 C LEU A 85 1.264 -5.016 -16.508 1.00 0.00 C ATOM 1307 O LEU A 85 1.579 -5.020 -17.696 1.00 0.00 O ATOM 1308 CB LEU A 85 -1.166 -4.351 -16.638 1.00 0.00 C ATOM 1309 CG LEU A 85 -2.219 -3.247 -16.457 1.00 0.00 C ATOM 1310 CD1 LEU A 85 -3.585 -3.710 -16.946 1.00 0.00 C ATOM 1311 CD2 LEU A 85 -2.295 -2.809 -15.002 1.00 0.00 C ATOM 0 H LEU A 85 0.342 -2.323 -17.138 1.00 0.00 H new ATOM 0 HA LEU A 85 0.089 -4.227 -14.912 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.012 -4.514 -17.705 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.561 -5.280 -16.227 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.914 -2.391 -17.060 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.312 -2.910 -16.806 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.525 -3.966 -18.004 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.897 -4.587 -16.378 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -3.047 -2.027 -14.896 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.568 -3.661 -14.379 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.325 -2.425 -14.686 1.00 0.00 H new ATOM 1323 N ASN A 86 1.833 -5.809 -15.602 1.00 0.00 N ATOM 1324 CA ASN A 86 2.886 -6.752 -15.960 1.00 0.00 C ATOM 1325 C ASN A 86 2.353 -8.177 -15.973 1.00 0.00 C ATOM 1326 O ASN A 86 1.770 -8.645 -14.995 1.00 0.00 O ATOM 1327 CB ASN A 86 4.055 -6.650 -14.973 1.00 0.00 C ATOM 1328 CG ASN A 86 4.305 -5.228 -14.504 1.00 0.00 C ATOM 1329 OD1 ASN A 86 4.723 -4.367 -15.424 1.00 0.00 O flip ATOM 1330 ND2 ASN A 86 4.128 -4.909 -13.327 1.00 0.00 N flip ATOM 0 H ASN A 86 1.581 -5.816 -14.614 1.00 0.00 H new ATOM 0 HA ASN A 86 3.238 -6.498 -16.960 1.00 0.00 H new ATOM 0 HB2 ASN A 86 3.851 -7.282 -14.109 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.958 -7.036 -15.445 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.806 -5.604 -12.653 1.00 0.00 H new ATOM 0 HD22 ASN A 86 4.304 -3.950 -13.026 1.00 0.00 H new ATOM 1337 N TYR A 87 2.553 -8.863 -17.093 1.00 0.00 N ATOM 1338 CA TYR A 87 2.087 -10.234 -17.241 1.00 0.00 C ATOM 1339 C TYR A 87 2.715 -10.895 -18.457 1.00 0.00 C ATOM 1340 O TYR A 87 2.876 -10.270 -19.504 1.00 0.00 O ATOM 1341 CB TYR A 87 0.571 -10.264 -17.376 1.00 0.00 C ATOM 1342 CG TYR A 87 0.036 -9.268 -18.383 1.00 0.00 C ATOM 1343 CD1 TYR A 87 0.036 -9.562 -19.740 1.00 0.00 C ATOM 1344 CD2 TYR A 87 -0.471 -8.040 -17.978 1.00 0.00 C ATOM 1345 CE1 TYR A 87 -0.452 -8.662 -20.667 1.00 0.00 C ATOM 1346 CE2 TYR A 87 -0.962 -7.132 -18.899 1.00 0.00 C ATOM 1347 CZ TYR A 87 -0.951 -7.449 -20.242 1.00 0.00 C ATOM 1348 OH TYR A 87 -1.439 -6.550 -21.167 1.00 0.00 O ATOM 0 H TYR A 87 3.035 -8.491 -17.911 1.00 0.00 H new ATOM 0 HA TYR A 87 2.384 -10.786 -16.349 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.260 -11.267 -17.668 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.123 -10.062 -16.403 1.00 0.00 H new ATOM 0 HD1 TYR A 87 0.425 -10.512 -20.077 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.482 -7.790 -16.927 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.443 -8.907 -21.719 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.352 -6.180 -18.569 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.964 -5.861 -20.708 1.00 0.00 H new ATOM 1358 N VAL A 88 3.058 -12.167 -18.313 1.00 0.00 N ATOM 1359 CA VAL A 88 3.662 -12.916 -19.408 1.00 0.00 C ATOM 1360 C VAL A 88 2.595 -13.404 -20.388 1.00 0.00 C ATOM 1361 O VAL A 88 1.749 -14.233 -20.050 1.00 0.00 O ATOM 1362 CB VAL A 88 4.513 -14.102 -18.895 1.00 0.00 C ATOM 1363 CG1 VAL A 88 3.647 -15.196 -18.290 1.00 0.00 C ATOM 1364 CG2 VAL A 88 5.376 -14.655 -20.012 1.00 0.00 C ATOM 0 H VAL A 88 2.930 -12.701 -17.453 1.00 0.00 H new ATOM 0 HA VAL A 88 4.331 -12.235 -19.934 1.00 0.00 H new ATOM 0 HB VAL A 88 5.162 -13.727 -18.104 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.281 -16.011 -17.941 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.083 -14.791 -17.450 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.955 -15.572 -19.044 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.969 -15.489 -19.635 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.739 -15.001 -20.826 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.041 -13.873 -20.379 1.00 0.00 H new ATOM 1374 N ALA A 89 2.629 -12.866 -21.601 1.00 0.00 N ATOM 1375 CA ALA A 89 1.659 -13.230 -22.627 1.00 0.00 C ATOM 1376 C ALA A 89 1.973 -14.602 -23.230 1.00 0.00 C ATOM 1377 O ALA A 89 1.775 -15.629 -22.579 1.00 0.00 O ATOM 1378 CB ALA A 89 1.614 -12.148 -23.700 1.00 0.00 C ATOM 0 H ALA A 89 3.318 -12.176 -21.899 1.00 0.00 H new ATOM 0 HA ALA A 89 0.674 -13.304 -22.166 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.888 -12.424 -24.465 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.323 -11.200 -23.248 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.599 -12.046 -24.155 1.00 0.00 H new ATOM 1384 N ARG A 90 2.462 -14.624 -24.471 1.00 0.00 N ATOM 1385 CA ARG A 90 2.794 -15.877 -25.141 1.00 0.00 C ATOM 1386 C ARG A 90 3.887 -16.619 -24.379 1.00 0.00 C ATOM 1387 O ARG A 90 3.825 -17.837 -24.208 1.00 0.00 O ATOM 1388 CB ARG A 90 3.254 -15.603 -26.574 1.00 0.00 C ATOM 1389 CG ARG A 90 4.493 -14.725 -26.656 1.00 0.00 C ATOM 1390 CD ARG A 90 4.529 -13.926 -27.951 1.00 0.00 C ATOM 1391 NE ARG A 90 5.897 -13.669 -28.396 1.00 0.00 N ATOM 1392 CZ ARG A 90 6.214 -12.810 -29.363 1.00 0.00 C ATOM 1393 NH1 ARG A 90 5.265 -12.124 -29.989 1.00 0.00 N ATOM 1394 NH2 ARG A 90 7.484 -12.634 -29.707 1.00 0.00 N ATOM 0 H ARG A 90 2.636 -13.788 -25.030 1.00 0.00 H new ATOM 0 HA ARG A 90 1.900 -16.501 -25.166 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.458 -16.552 -27.070 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.443 -15.125 -27.122 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.513 -14.043 -25.806 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.386 -15.347 -26.587 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.991 -14.469 -28.728 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.010 -12.978 -27.807 1.00 0.00 H new ATOM 0 HE ARG A 90 6.654 -14.178 -27.939 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.287 -12.254 -29.730 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.514 -11.467 -30.729 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.219 -13.157 -29.230 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.725 -11.976 -30.448 1.00 0.00 H new ATOM 1408 N ASN A 91 4.884 -15.871 -23.926 1.00 0.00 N ATOM 1409 CA ASN A 91 6.000 -16.441 -23.180 1.00 0.00 C ATOM 1410 C ASN A 91 6.957 -15.345 -22.713 1.00 0.00 C ATOM 1411 O ASN A 91 8.148 -15.591 -22.522 1.00 0.00 O ATOM 1412 CB ASN A 91 6.752 -17.454 -24.049 1.00 0.00 C ATOM 1413 CG ASN A 91 6.847 -18.822 -23.404 1.00 0.00 C ATOM 1414 OD1 ASN A 91 7.907 -19.450 -23.407 1.00 0.00 O ATOM 1415 ND2 ASN A 91 5.737 -19.297 -22.851 1.00 0.00 N ATOM 0 H ASN A 91 4.943 -14.862 -24.063 1.00 0.00 H new ATOM 0 HA ASN A 91 5.600 -16.948 -22.302 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.249 -17.545 -25.012 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.756 -17.080 -24.248 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.741 -20.215 -22.406 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.880 -18.744 -22.871 1.00 0.00 H new ATOM 1422 N LYS A 92 6.433 -14.135 -22.533 1.00 0.00 N ATOM 1423 CA LYS A 92 7.247 -13.010 -22.090 1.00 0.00 C ATOM 1424 C LYS A 92 6.387 -11.948 -21.393 1.00 0.00 C ATOM 1425 O LYS A 92 5.376 -11.501 -21.932 1.00 0.00 O ATOM 1426 CB LYS A 92 7.985 -12.408 -23.288 1.00 0.00 C ATOM 1427 CG LYS A 92 9.455 -12.134 -23.027 1.00 0.00 C ATOM 1428 CD LYS A 92 10.334 -13.227 -23.610 1.00 0.00 C ATOM 1429 CE LYS A 92 11.435 -13.632 -22.645 1.00 0.00 C ATOM 1430 NZ LYS A 92 12.714 -12.932 -22.941 1.00 0.00 N ATOM 0 H LYS A 92 5.450 -13.910 -22.687 1.00 0.00 H new ATOM 0 HA LYS A 92 7.977 -13.370 -21.365 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.897 -13.087 -24.136 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.496 -11.476 -23.573 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.730 -11.173 -23.461 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.628 -12.060 -21.953 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.723 -14.097 -23.851 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.777 -12.880 -24.543 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.125 -13.407 -21.625 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.589 -14.710 -22.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.441 -13.235 -22.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.023 -13.167 -23.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.574 -11.904 -22.863 1.00 0.00 H new ATOM 1444 N PRO A 93 6.787 -11.533 -20.171 1.00 0.00 N ATOM 1445 CA PRO A 93 6.061 -10.525 -19.387 1.00 0.00 C ATOM 1446 C PRO A 93 6.213 -9.138 -19.954 1.00 0.00 C ATOM 1447 O PRO A 93 7.312 -8.589 -19.995 1.00 0.00 O ATOM 1448 CB PRO A 93 6.724 -10.581 -18.025 1.00 0.00 C ATOM 1449 CG PRO A 93 8.103 -11.066 -18.308 1.00 0.00 C ATOM 1450 CD PRO A 93 7.980 -12.014 -19.464 1.00 0.00 C ATOM 0 HA PRO A 93 4.991 -10.730 -19.375 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.737 -9.601 -17.548 1.00 0.00 H new ATOM 0 HB3 PRO A 93 6.195 -11.256 -17.352 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.766 -10.236 -18.553 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.527 -11.566 -17.437 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.864 -11.987 -20.102 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.860 -13.044 -19.128 1.00 0.00 H new ATOM 1458 N LYS A 94 5.109 -8.577 -20.392 1.00 0.00 N ATOM 1459 CA LYS A 94 5.119 -7.247 -20.979 1.00 0.00 C ATOM 1460 C LYS A 94 4.529 -6.209 -20.036 1.00 0.00 C ATOM 1461 O LYS A 94 3.375 -6.311 -19.621 1.00 0.00 O ATOM 1462 CB LYS A 94 4.360 -7.250 -22.306 1.00 0.00 C ATOM 1463 CG LYS A 94 2.923 -7.740 -22.192 1.00 0.00 C ATOM 1464 CD LYS A 94 1.936 -6.683 -22.656 1.00 0.00 C ATOM 1465 CE LYS A 94 2.169 -6.287 -24.104 1.00 0.00 C ATOM 1466 NZ LYS A 94 1.376 -5.085 -24.484 1.00 0.00 N ATOM 0 H LYS A 94 4.190 -9.017 -20.355 1.00 0.00 H new ATOM 0 HA LYS A 94 6.158 -6.973 -21.160 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.358 -6.240 -22.715 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.893 -7.880 -23.017 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.797 -8.644 -22.789 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.710 -8.009 -21.157 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.920 -7.060 -22.542 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.022 -5.802 -22.020 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.229 -6.087 -24.260 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.902 -7.119 -24.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.687 -5.342 -25.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.873 -4.723 -23.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.014 -4.350 -24.850 1.00 0.00 H new ATOM 1480 N THR A 95 5.330 -5.194 -19.722 1.00 0.00 N ATOM 1481 CA THR A 95 4.887 -4.116 -18.854 1.00 0.00 C ATOM 1482 C THR A 95 4.039 -3.154 -19.663 1.00 0.00 C ATOM 1483 O THR A 95 4.496 -2.598 -20.660 1.00 0.00 O ATOM 1484 CB THR A 95 6.088 -3.381 -18.239 1.00 0.00 C ATOM 1485 OG1 THR A 95 6.770 -4.203 -17.304 1.00 0.00 O ATOM 1486 CG2 THR A 95 5.712 -2.097 -17.526 1.00 0.00 C ATOM 0 H THR A 95 6.288 -5.099 -20.058 1.00 0.00 H new ATOM 0 HA THR A 95 4.297 -4.531 -18.037 1.00 0.00 H new ATOM 0 HB THR A 95 6.727 -3.136 -19.087 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.181 -4.392 -16.544 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.609 -1.632 -17.117 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.239 -1.414 -18.232 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.018 -2.320 -16.716 1.00 0.00 H new ATOM 1494 N VAL A 96 2.794 -2.978 -19.253 1.00 0.00 N ATOM 1495 CA VAL A 96 1.889 -2.101 -19.974 1.00 0.00 C ATOM 1496 C VAL A 96 1.484 -0.902 -19.141 1.00 0.00 C ATOM 1497 O VAL A 96 0.693 -1.031 -18.211 1.00 0.00 O ATOM 1498 CB VAL A 96 0.609 -2.845 -20.385 1.00 0.00 C ATOM 1499 CG1 VAL A 96 -0.178 -2.025 -21.394 1.00 0.00 C ATOM 1500 CG2 VAL A 96 0.928 -4.223 -20.945 1.00 0.00 C ATOM 0 H VAL A 96 2.390 -3.427 -18.431 1.00 0.00 H new ATOM 0 HA VAL A 96 2.430 -1.764 -20.858 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.003 -2.982 -19.494 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.082 -2.565 -21.676 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.451 -1.067 -20.951 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.433 -1.854 -22.280 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.002 -4.725 -21.227 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.567 -4.120 -21.822 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.444 -4.813 -20.188 1.00 0.00 H new ATOM 1510 N ILE A 97 1.989 0.270 -19.505 1.00 0.00 N ATOM 1511 CA ILE A 97 1.633 1.488 -18.798 1.00 0.00 C ATOM 1512 C ILE A 97 0.358 2.055 -19.394 1.00 0.00 C ATOM 1513 O ILE A 97 0.211 2.123 -20.615 1.00 0.00 O ATOM 1514 CB ILE A 97 2.742 2.551 -18.871 1.00 0.00 C ATOM 1515 CG1 ILE A 97 4.098 1.931 -18.475 1.00 0.00 C ATOM 1516 CG2 ILE A 97 2.372 3.749 -18.000 1.00 0.00 C ATOM 1517 CD1 ILE A 97 4.605 2.296 -17.089 1.00 0.00 C ATOM 0 H ILE A 97 2.640 0.400 -20.279 1.00 0.00 H new ATOM 0 HA ILE A 97 1.490 1.232 -17.748 1.00 0.00 H new ATOM 0 HB ILE A 97 2.841 2.912 -19.895 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.014 0.846 -18.538 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.845 2.236 -19.208 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.162 4.498 -18.057 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.436 4.181 -18.354 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.253 3.424 -16.966 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.563 1.808 -16.912 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.730 3.377 -17.020 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.886 1.965 -16.340 1.00 0.00 H new ATOM 1529 N TYR A 98 -0.574 2.435 -18.538 1.00 0.00 N ATOM 1530 CA TYR A 98 -1.844 2.962 -19.003 1.00 0.00 C ATOM 1531 C TYR A 98 -2.060 4.398 -18.546 1.00 0.00 C ATOM 1532 O TYR A 98 -1.927 4.716 -17.365 1.00 0.00 O ATOM 1533 CB TYR A 98 -2.980 2.085 -18.490 1.00 0.00 C ATOM 1534 CG TYR A 98 -3.067 0.725 -19.151 1.00 0.00 C ATOM 1535 CD1 TYR A 98 -2.297 -0.338 -18.698 1.00 0.00 C ATOM 1536 CD2 TYR A 98 -3.930 0.500 -20.218 1.00 0.00 C ATOM 1537 CE1 TYR A 98 -2.383 -1.585 -19.289 1.00 0.00 C ATOM 1538 CE2 TYR A 98 -4.023 -0.748 -20.813 1.00 0.00 C ATOM 1539 CZ TYR A 98 -3.248 -1.785 -20.344 1.00 0.00 C ATOM 1540 OH TYR A 98 -3.337 -3.028 -20.931 1.00 0.00 O ATOM 0 H TYR A 98 -0.476 2.389 -17.524 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.830 2.957 -20.093 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.859 1.946 -17.416 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.924 2.609 -18.640 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.620 -0.188 -17.870 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -4.538 1.312 -20.589 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.775 -2.400 -18.925 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -4.699 -0.906 -21.640 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.264 -3.344 -20.888 1.00 0.00 H new ATOM 1550 N TRP A 99 -2.414 5.258 -19.494 1.00 0.00 N ATOM 1551 CA TRP A 99 -2.678 6.661 -19.200 1.00 0.00 C ATOM 1552 C TRP A 99 -4.125 6.995 -19.524 1.00 0.00 C ATOM 1553 O TRP A 99 -4.660 6.553 -20.540 1.00 0.00 O ATOM 1554 CB TRP A 99 -1.755 7.576 -20.004 1.00 0.00 C ATOM 1555 CG TRP A 99 -0.387 7.727 -19.415 1.00 0.00 C ATOM 1556 CD1 TRP A 99 -0.011 8.573 -18.412 1.00 0.00 C ATOM 1557 CD2 TRP A 99 0.789 7.015 -19.806 1.00 0.00 C ATOM 1558 NE1 TRP A 99 1.332 8.429 -18.158 1.00 0.00 N ATOM 1559 CE2 TRP A 99 1.845 7.476 -19.000 1.00 0.00 C ATOM 1560 CE3 TRP A 99 1.048 6.031 -20.762 1.00 0.00 C ATOM 1561 CZ2 TRP A 99 3.142 6.985 -19.123 1.00 0.00 C ATOM 1562 CZ3 TRP A 99 2.333 5.545 -20.881 1.00 0.00 C ATOM 1563 CH2 TRP A 99 3.366 6.021 -20.069 1.00 0.00 C ATOM 0 H TRP A 99 -2.525 5.007 -20.476 1.00 0.00 H new ATOM 0 HA TRP A 99 -2.490 6.824 -18.139 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -1.663 7.183 -21.017 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -2.216 8.560 -20.085 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -0.671 9.254 -17.895 1.00 0.00 H new ATOM 0 HE1 TRP A 99 1.861 8.947 -17.457 1.00 0.00 H new ATOM 0 HE3 TRP A 99 0.257 5.658 -21.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 3.941 7.351 -18.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 2.545 4.782 -21.616 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.362 5.620 -20.190 1.00 0.00 H new ATOM 1574 N LEU A 100 -4.751 7.787 -18.670 1.00 0.00 N ATOM 1575 CA LEU A 100 -6.130 8.182 -18.890 1.00 0.00 C ATOM 1576 C LEU A 100 -6.184 9.257 -19.964 1.00 0.00 C ATOM 1577 O LEU A 100 -5.653 10.351 -19.784 1.00 0.00 O ATOM 1578 CB LEU A 100 -6.766 8.702 -17.596 1.00 0.00 C ATOM 1579 CG LEU A 100 -6.209 8.101 -16.304 1.00 0.00 C ATOM 1580 CD1 LEU A 100 -6.960 8.641 -15.097 1.00 0.00 C ATOM 1581 CD2 LEU A 100 -6.288 6.584 -16.341 1.00 0.00 C ATOM 0 H LEU A 100 -4.328 8.167 -17.823 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.694 7.308 -19.217 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.639 9.784 -17.558 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.838 8.508 -17.634 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.161 8.389 -16.218 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.550 8.202 -14.187 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.853 9.725 -15.057 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.016 8.383 -15.180 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.887 6.176 -15.413 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.328 6.276 -16.453 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.706 6.210 -17.183 1.00 0.00 H new ATOM 1593 N ALA A 101 -6.821 8.947 -21.084 1.00 0.00 N ATOM 1594 CA ALA A 101 -6.933 9.896 -22.178 1.00 0.00 C ATOM 1595 C ALA A 101 -8.383 10.067 -22.593 1.00 0.00 C ATOM 1596 O ALA A 101 -9.170 9.130 -22.521 1.00 0.00 O ATOM 1597 CB ALA A 101 -6.091 9.441 -23.361 1.00 0.00 C ATOM 0 H ALA A 101 -7.267 8.046 -21.257 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.560 10.861 -21.836 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.185 10.162 -24.173 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.046 9.370 -23.058 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.438 8.465 -23.700 1.00 0.00 H new ATOM 1603 N GLU A 102 -8.739 11.269 -23.015 1.00 0.00 N ATOM 1604 CA GLU A 102 -10.105 11.550 -23.428 1.00 0.00 C ATOM 1605 C GLU A 102 -10.161 12.072 -24.857 1.00 0.00 C ATOM 1606 O GLU A 102 -9.636 13.143 -25.155 1.00 0.00 O ATOM 1607 CB GLU A 102 -10.735 12.570 -22.481 1.00 0.00 C ATOM 1608 CG GLU A 102 -12.185 12.879 -22.802 1.00 0.00 C ATOM 1609 CD GLU A 102 -12.401 14.316 -23.245 1.00 0.00 C ATOM 1610 OE1 GLU A 102 -13.573 14.713 -23.413 1.00 0.00 O ATOM 1611 OE2 GLU A 102 -11.400 15.041 -23.423 1.00 0.00 O ATOM 0 H GLU A 102 -8.104 12.064 -23.081 1.00 0.00 H new ATOM 0 HA GLU A 102 -10.665 10.616 -23.388 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.669 12.195 -21.460 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.158 13.494 -22.519 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.529 12.207 -23.588 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.797 12.680 -21.922 1.00 0.00 H new ATOM 1619 N VAL A 103 -10.817 11.316 -25.735 1.00 0.00 N ATOM 1620 CA VAL A 103 -10.947 11.721 -27.128 1.00 0.00 C ATOM 1621 C VAL A 103 -11.938 12.872 -27.257 1.00 0.00 C ATOM 1622 O VAL A 103 -13.100 12.762 -26.872 1.00 0.00 O ATOM 1623 CB VAL A 103 -11.366 10.545 -28.043 1.00 0.00 C ATOM 1624 CG1 VAL A 103 -10.426 9.374 -27.852 1.00 0.00 C ATOM 1625 CG2 VAL A 103 -12.801 10.108 -27.789 1.00 0.00 C ATOM 0 H VAL A 103 -11.263 10.427 -25.507 1.00 0.00 H new ATOM 0 HA VAL A 103 -9.964 12.055 -27.460 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.306 10.896 -29.073 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -10.731 8.553 -28.501 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -9.410 9.678 -28.104 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -10.459 9.047 -26.813 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -13.052 9.281 -28.453 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -12.905 9.786 -26.753 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -13.475 10.943 -27.979 1.00 0.00 H new ATOM 1635 N LYS A 104 -11.459 13.987 -27.782 1.00 0.00 N ATOM 1636 CA LYS A 104 -12.297 15.168 -27.946 1.00 0.00 C ATOM 1637 C LYS A 104 -13.469 14.884 -28.873 1.00 0.00 C ATOM 1638 O LYS A 104 -14.527 15.503 -28.757 1.00 0.00 O ATOM 1639 CB LYS A 104 -11.478 16.335 -28.498 1.00 0.00 C ATOM 1640 CG LYS A 104 -10.568 15.949 -29.649 1.00 0.00 C ATOM 1641 CD LYS A 104 -9.168 16.509 -29.472 1.00 0.00 C ATOM 1642 CE LYS A 104 -8.465 15.920 -28.257 1.00 0.00 C ATOM 1643 NZ LYS A 104 -8.591 16.790 -27.054 1.00 0.00 N ATOM 0 H LYS A 104 -10.497 14.102 -28.102 1.00 0.00 H new ATOM 0 HA LYS A 104 -12.686 15.436 -26.964 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -12.158 17.119 -28.831 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.874 16.756 -27.694 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.518 14.863 -29.725 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.990 16.315 -30.585 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.580 16.303 -30.366 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.222 17.593 -29.369 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.884 14.938 -28.038 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -7.410 15.772 -28.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.644 17.019 -26.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.085 17.668 -27.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.132 16.291 -26.320 1.00 0.00 H new ATOM 1657 N ASP A 105 -13.277 13.957 -29.806 1.00 0.00 N ATOM 1658 CA ASP A 105 -14.330 13.621 -30.755 1.00 0.00 C ATOM 1659 C ASP A 105 -15.090 12.365 -30.343 1.00 0.00 C ATOM 1660 O ASP A 105 -14.495 11.317 -30.088 1.00 0.00 O ATOM 1661 CB ASP A 105 -13.741 13.448 -32.154 1.00 0.00 C ATOM 1662 CG ASP A 105 -14.810 13.329 -33.221 1.00 0.00 C ATOM 1663 OD1 ASP A 105 -14.499 13.587 -34.403 1.00 0.00 O ATOM 1664 OD2 ASP A 105 -15.958 12.978 -32.875 1.00 0.00 O ATOM 0 H ASP A 105 -12.411 13.431 -29.924 1.00 0.00 H new ATOM 0 HA ASP A 105 -15.042 14.446 -30.762 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -13.097 14.298 -32.382 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.112 12.558 -32.173 1.00 0.00 H new ATOM 1670 N TYR A 106 -16.416 12.481 -30.301 1.00 0.00 N ATOM 1671 CA TYR A 106 -17.275 11.359 -29.943 1.00 0.00 C ATOM 1672 C TYR A 106 -17.320 10.368 -31.096 1.00 0.00 C ATOM 1673 O TYR A 106 -17.226 9.156 -30.899 1.00 0.00 O ATOM 1674 CB TYR A 106 -18.684 11.847 -29.604 1.00 0.00 C ATOM 1675 CG TYR A 106 -19.261 11.211 -28.358 1.00 0.00 C ATOM 1676 CD1 TYR A 106 -19.073 9.860 -28.093 1.00 0.00 C ATOM 1677 CD2 TYR A 106 -19.995 11.962 -27.449 1.00 0.00 C ATOM 1678 CE1 TYR A 106 -19.598 9.277 -26.958 1.00 0.00 C ATOM 1679 CE2 TYR A 106 -20.524 11.384 -26.309 1.00 0.00 C ATOM 1680 CZ TYR A 106 -20.323 10.041 -26.067 1.00 0.00 C ATOM 1681 OH TYR A 106 -20.848 9.462 -24.937 1.00 0.00 O ATOM 0 H TYR A 106 -16.918 13.344 -30.511 1.00 0.00 H new ATOM 0 HA TYR A 106 -16.867 10.866 -29.061 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.663 12.929 -29.473 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.344 11.640 -30.447 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -18.507 9.256 -28.787 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.155 13.014 -27.635 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.442 8.225 -26.768 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -21.092 11.982 -25.611 1.00 0.00 H new ATOM 0 HH TYR A 106 -20.753 8.488 -24.994 1.00 0.00 H new ATOM 1691 N ASP A 107 -17.427 10.905 -32.307 1.00 0.00 N ATOM 1692 CA ASP A 107 -17.442 10.088 -33.511 1.00 0.00 C ATOM 1693 C ASP A 107 -16.018 9.925 -34.033 1.00 0.00 C ATOM 1694 O ASP A 107 -15.800 9.598 -35.198 1.00 0.00 O ATOM 1695 CB ASP A 107 -18.325 10.725 -34.585 1.00 0.00 C ATOM 1696 CG ASP A 107 -18.002 12.189 -34.804 1.00 0.00 C ATOM 1697 OD1 ASP A 107 -18.901 13.033 -34.605 1.00 0.00 O ATOM 1698 OD2 ASP A 107 -16.849 12.493 -35.178 1.00 0.00 O ATOM 0 H ASP A 107 -17.505 11.907 -32.479 1.00 0.00 H new ATOM 0 HA ASP A 107 -17.854 9.109 -33.267 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -18.200 10.184 -35.523 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -19.372 10.626 -34.297 1.00 0.00 H new ATOM 1704 N VAL A 108 -15.051 10.162 -33.145 1.00 0.00 N ATOM 1705 CA VAL A 108 -13.641 10.054 -33.475 1.00 0.00 C ATOM 1706 C VAL A 108 -13.353 8.753 -34.212 1.00 0.00 C ATOM 1707 O VAL A 108 -13.964 7.721 -33.934 1.00 0.00 O ATOM 1708 CB VAL A 108 -12.792 10.136 -32.191 1.00 0.00 C ATOM 1709 CG1 VAL A 108 -13.196 9.053 -31.215 1.00 0.00 C ATOM 1710 CG2 VAL A 108 -11.306 10.070 -32.496 1.00 0.00 C ATOM 0 H VAL A 108 -15.230 10.434 -32.178 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.377 10.883 -34.132 1.00 0.00 H new ATOM 0 HB VAL A 108 -12.984 11.104 -31.728 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -12.585 9.128 -30.315 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -14.247 9.174 -30.951 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -13.048 8.076 -31.674 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.741 10.131 -31.566 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -11.079 9.129 -32.998 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -11.030 10.902 -33.143 1.00 0.00 H new ATOM 1720 N GLU A 109 -12.435 8.818 -35.167 1.00 0.00 N ATOM 1721 CA GLU A 109 -12.082 7.655 -35.960 1.00 0.00 C ATOM 1722 C GLU A 109 -11.405 6.587 -35.118 1.00 0.00 C ATOM 1723 O GLU A 109 -10.613 6.881 -34.222 1.00 0.00 O ATOM 1724 CB GLU A 109 -11.194 8.063 -37.150 1.00 0.00 C ATOM 1725 CG GLU A 109 -9.696 8.079 -36.862 1.00 0.00 C ATOM 1726 CD GLU A 109 -9.128 9.484 -36.811 1.00 0.00 C ATOM 1727 OE1 GLU A 109 -8.195 9.717 -36.014 1.00 0.00 O ATOM 1728 OE2 GLU A 109 -9.618 10.348 -37.566 1.00 0.00 O ATOM 0 H GLU A 109 -11.923 9.666 -35.409 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.005 7.225 -36.348 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.382 7.377 -37.976 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.495 9.056 -37.485 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.507 7.580 -35.912 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.176 7.508 -37.631 1.00 0.00 H new ATOM 1736 N ILE A 110 -11.723 5.344 -35.429 1.00 0.00 N ATOM 1737 CA ILE A 110 -11.152 4.205 -34.736 1.00 0.00 C ATOM 1738 C ILE A 110 -10.484 3.273 -35.733 1.00 0.00 C ATOM 1739 O ILE A 110 -11.132 2.431 -36.355 1.00 0.00 O ATOM 1740 CB ILE A 110 -12.211 3.453 -33.911 1.00 0.00 C ATOM 1741 CG1 ILE A 110 -12.740 4.369 -32.810 1.00 0.00 C ATOM 1742 CG2 ILE A 110 -11.616 2.190 -33.308 1.00 0.00 C ATOM 1743 CD1 ILE A 110 -11.677 4.764 -31.810 1.00 0.00 C ATOM 0 H ILE A 110 -12.382 5.096 -36.167 1.00 0.00 H new ATOM 0 HA ILE A 110 -10.402 4.575 -34.038 1.00 0.00 H new ATOM 0 HB ILE A 110 -13.034 3.163 -34.564 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -13.158 5.268 -33.262 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -13.554 3.867 -32.287 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.378 1.670 -32.728 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -11.260 1.538 -34.106 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.783 2.455 -32.657 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -12.114 5.415 -31.053 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -11.276 3.870 -31.333 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -10.873 5.293 -32.323 1.00 0.00 H new ATOM 1755 N ARG A 111 -9.181 3.454 -35.887 1.00 0.00 N ATOM 1756 CA ARG A 111 -8.398 2.656 -36.821 1.00 0.00 C ATOM 1757 C ARG A 111 -7.750 1.479 -36.111 1.00 0.00 C ATOM 1758 O ARG A 111 -6.733 1.628 -35.435 1.00 0.00 O ATOM 1759 CB ARG A 111 -7.326 3.523 -37.491 1.00 0.00 C ATOM 1760 CG ARG A 111 -7.895 4.686 -38.289 1.00 0.00 C ATOM 1761 CD ARG A 111 -6.996 5.911 -38.210 1.00 0.00 C ATOM 1762 NE ARG A 111 -6.019 5.957 -39.294 1.00 0.00 N ATOM 1763 CZ ARG A 111 -4.809 6.504 -39.178 1.00 0.00 C ATOM 1764 NH1 ARG A 111 -4.412 7.034 -38.023 1.00 0.00 N ATOM 1765 NH2 ARG A 111 -3.987 6.518 -40.217 1.00 0.00 N ATOM 0 H ARG A 111 -8.640 4.150 -35.374 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.070 2.269 -37.587 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.655 3.912 -36.726 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.726 2.898 -38.153 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -8.016 4.389 -39.331 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -8.887 4.936 -37.912 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -7.610 6.811 -38.240 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.473 5.913 -37.253 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.277 5.547 -40.192 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.036 7.024 -37.216 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.484 7.450 -37.945 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.280 6.110 -41.105 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.061 6.936 -40.129 1.00 0.00 H new ATOM 1779 N LEU A 112 -8.349 0.308 -36.273 1.00 0.00 N ATOM 1780 CA LEU A 112 -7.833 -0.902 -35.650 1.00 0.00 C ATOM 1781 C LEU A 112 -6.943 -1.674 -36.618 1.00 0.00 C ATOM 1782 O LEU A 112 -7.122 -1.605 -37.834 1.00 0.00 O ATOM 1783 CB LEU A 112 -8.979 -1.803 -35.183 1.00 0.00 C ATOM 1784 CG LEU A 112 -10.170 -1.100 -34.526 1.00 0.00 C ATOM 1785 CD1 LEU A 112 -11.205 -2.129 -34.100 1.00 0.00 C ATOM 1786 CD2 LEU A 112 -9.729 -0.274 -33.325 1.00 0.00 C ATOM 0 H LEU A 112 -9.192 0.170 -36.830 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.241 -0.601 -34.786 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -9.345 -2.365 -36.043 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.577 -2.529 -34.476 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.612 -0.422 -35.257 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.050 -1.623 -33.633 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -11.550 -2.681 -34.974 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.758 -2.821 -33.387 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.597 0.213 -32.880 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.261 -0.926 -32.587 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.014 0.483 -33.647 1.00 0.00 H new ATOM 1798 N SER A 113 -5.988 -2.418 -36.070 1.00 0.00 N ATOM 1799 CA SER A 113 -5.078 -3.215 -36.882 1.00 0.00 C ATOM 1800 C SER A 113 -5.744 -4.529 -37.280 1.00 0.00 C ATOM 1801 O SER A 113 -6.948 -4.707 -37.088 1.00 0.00 O ATOM 1802 CB SER A 113 -3.783 -3.494 -36.114 1.00 0.00 C ATOM 1803 OG SER A 113 -3.155 -2.288 -35.714 1.00 0.00 O ATOM 0 H SER A 113 -5.825 -2.485 -35.065 1.00 0.00 H new ATOM 0 HA SER A 113 -4.835 -2.654 -37.784 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.001 -4.102 -35.236 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.103 -4.071 -36.740 1.00 0.00 H new ATOM 0 HG SER A 113 -2.332 -2.495 -35.224 1.00 0.00 H new ATOM 1809 N HIS A 114 -4.961 -5.451 -37.829 1.00 0.00 N ATOM 1810 CA HIS A 114 -5.485 -6.749 -38.245 1.00 0.00 C ATOM 1811 C HIS A 114 -5.697 -7.680 -37.047 1.00 0.00 C ATOM 1812 O HIS A 114 -6.028 -8.853 -37.220 1.00 0.00 O ATOM 1813 CB HIS A 114 -4.538 -7.409 -39.249 1.00 0.00 C ATOM 1814 CG HIS A 114 -3.131 -7.539 -38.753 1.00 0.00 C ATOM 1815 ND1 HIS A 114 -2.727 -7.112 -37.504 1.00 0.00 N ATOM 1816 CD2 HIS A 114 -2.026 -8.051 -39.348 1.00 0.00 C ATOM 1817 CE1 HIS A 114 -1.438 -7.351 -37.354 1.00 0.00 C ATOM 1818 NE2 HIS A 114 -0.989 -7.922 -38.456 1.00 0.00 N ATOM 0 H HIS A 114 -3.963 -5.325 -37.997 1.00 0.00 H new ATOM 0 HA HIS A 114 -6.452 -6.576 -38.718 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -4.919 -8.399 -39.498 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -4.537 -6.827 -40.171 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -1.971 -8.480 -40.338 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -0.850 -7.119 -36.478 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -0.027 -8.220 -38.619 1.00 0.00 H new ATOM 1827 N GLU A 115 -5.507 -7.156 -35.836 1.00 0.00 N ATOM 1828 CA GLU A 115 -5.681 -7.953 -34.626 1.00 0.00 C ATOM 1829 C GLU A 115 -7.014 -7.645 -33.951 1.00 0.00 C ATOM 1830 O GLU A 115 -7.618 -8.518 -33.330 1.00 0.00 O ATOM 1831 CB GLU A 115 -4.540 -7.686 -33.647 1.00 0.00 C ATOM 1832 CG GLU A 115 -4.444 -8.718 -32.535 1.00 0.00 C ATOM 1833 CD GLU A 115 -3.312 -8.428 -31.567 1.00 0.00 C ATOM 1834 OE1 GLU A 115 -3.388 -8.894 -30.409 1.00 0.00 O ATOM 1835 OE2 GLU A 115 -2.352 -7.738 -31.967 1.00 0.00 O ATOM 0 H GLU A 115 -5.234 -6.188 -35.669 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.673 -9.004 -34.916 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.598 -7.665 -34.195 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -4.674 -6.698 -33.205 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.387 -8.747 -31.988 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -4.299 -9.706 -32.972 1.00 0.00 H new ATOM 1843 N HIS A 116 -7.468 -6.402 -34.071 1.00 0.00 N ATOM 1844 CA HIS A 116 -8.728 -5.994 -33.463 1.00 0.00 C ATOM 1845 C HIS A 116 -9.865 -6.041 -34.475 1.00 0.00 C ATOM 1846 O HIS A 116 -9.888 -5.274 -35.439 1.00 0.00 O ATOM 1847 CB HIS A 116 -8.609 -4.587 -32.874 1.00 0.00 C ATOM 1848 CG HIS A 116 -7.390 -4.391 -32.028 1.00 0.00 C ATOM 1849 ND1 HIS A 116 -7.174 -4.635 -30.715 1.00 0.00 N flip ATOM 1850 CD2 HIS A 116 -6.207 -3.879 -32.520 1.00 0.00 C flip ATOM 1851 CE1 HIS A 116 -5.878 -4.271 -30.441 1.00 0.00 C flip ATOM 1852 NE2 HIS A 116 -5.318 -3.818 -31.547 1.00 0.00 N flip ATOM 0 H HIS A 116 -6.984 -5.663 -34.581 1.00 0.00 H new ATOM 0 HA HIS A 116 -8.954 -6.696 -32.660 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -8.596 -3.862 -33.688 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -9.495 -4.378 -32.274 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -7.848 -5.018 -30.052 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -6.035 -3.575 -33.542 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.396 -4.344 -29.477 1.00 0.00 H new ATOM 1861 N GLN A 117 -10.806 -6.950 -34.251 1.00 0.00 N ATOM 1862 CA GLN A 117 -11.948 -7.107 -35.145 1.00 0.00 C ATOM 1863 C GLN A 117 -12.979 -6.002 -34.942 1.00 0.00 C ATOM 1864 O GLN A 117 -13.815 -5.762 -35.813 1.00 0.00 O ATOM 1865 CB GLN A 117 -12.605 -8.471 -34.925 1.00 0.00 C ATOM 1866 CG GLN A 117 -13.741 -8.760 -35.886 1.00 0.00 C ATOM 1867 CD GLN A 117 -13.272 -8.864 -37.322 1.00 0.00 C ATOM 1868 OE1 GLN A 117 -12.990 -7.721 -37.935 1.00 0.00 O flip ATOM 1869 NE2 GLN A 117 -13.162 -9.959 -37.875 1.00 0.00 N flip ATOM 0 H GLN A 117 -10.801 -7.591 -33.457 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.577 -7.039 -36.168 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -11.849 -9.249 -35.025 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.982 -8.523 -33.904 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -14.229 -9.691 -35.598 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.489 -7.971 -35.807 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -13.390 -10.813 -37.366 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -12.843 -10.012 -38.842 1.00 0.00 H new ATOM 1878 N ALA A 118 -12.928 -5.334 -33.793 1.00 0.00 N ATOM 1879 CA ALA A 118 -13.875 -4.266 -33.505 1.00 0.00 C ATOM 1880 C ALA A 118 -13.525 -3.526 -32.220 1.00 0.00 C ATOM 1881 O ALA A 118 -12.514 -3.807 -31.577 1.00 0.00 O ATOM 1882 CB ALA A 118 -15.283 -4.834 -33.418 1.00 0.00 C ATOM 0 H ALA A 118 -12.248 -5.512 -33.054 1.00 0.00 H new ATOM 0 HA ALA A 118 -13.822 -3.545 -34.321 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.987 -4.030 -33.202 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.546 -5.302 -34.367 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.327 -5.578 -32.622 1.00 0.00 H new ATOM 1888 N TYR A 119 -14.379 -2.573 -31.857 1.00 0.00 N ATOM 1889 CA TYR A 119 -14.188 -1.772 -30.653 1.00 0.00 C ATOM 1890 C TYR A 119 -15.540 -1.323 -30.105 1.00 0.00 C ATOM 1891 O TYR A 119 -16.542 -1.352 -30.819 1.00 0.00 O ATOM 1892 CB TYR A 119 -13.332 -0.549 -30.972 1.00 0.00 C ATOM 1893 CG TYR A 119 -14.002 0.401 -31.937 1.00 0.00 C ATOM 1894 CD1 TYR A 119 -13.997 0.143 -33.298 1.00 0.00 C ATOM 1895 CD2 TYR A 119 -14.643 1.546 -31.486 1.00 0.00 C ATOM 1896 CE1 TYR A 119 -14.610 0.999 -34.189 1.00 0.00 C ATOM 1897 CE2 TYR A 119 -15.262 2.408 -32.370 1.00 0.00 C ATOM 1898 CZ TYR A 119 -15.241 2.130 -33.721 1.00 0.00 C ATOM 1899 OH TYR A 119 -15.854 2.987 -34.606 1.00 0.00 O ATOM 0 H TYR A 119 -15.218 -2.336 -32.386 1.00 0.00 H new ATOM 0 HA TYR A 119 -13.681 -2.379 -29.903 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -13.105 -0.019 -30.047 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -12.382 -0.877 -31.393 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -13.504 -0.744 -33.668 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -14.658 1.766 -30.429 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -14.595 0.784 -35.247 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -15.760 3.295 -32.006 1.00 0.00 H new ATOM 0 HH TYR A 119 -16.253 3.735 -34.114 1.00 0.00 H new ATOM 1909 N ARG A 120 -15.570 -0.897 -28.847 1.00 0.00 N ATOM 1910 CA ARG A 120 -16.815 -0.438 -28.240 1.00 0.00 C ATOM 1911 C ARG A 120 -16.564 0.612 -27.168 1.00 0.00 C ATOM 1912 O ARG A 120 -15.615 0.517 -26.391 1.00 0.00 O ATOM 1913 CB ARG A 120 -17.590 -1.607 -27.629 1.00 0.00 C ATOM 1914 CG ARG A 120 -17.609 -2.852 -28.499 1.00 0.00 C ATOM 1915 CD ARG A 120 -18.624 -3.870 -28.002 1.00 0.00 C ATOM 1916 NE ARG A 120 -19.611 -4.199 -29.029 1.00 0.00 N ATOM 1917 CZ ARG A 120 -20.924 -4.264 -28.810 1.00 0.00 C ATOM 1918 NH1 ARG A 120 -21.418 -4.070 -27.593 1.00 0.00 N ATOM 1919 NH2 ARG A 120 -21.747 -4.540 -29.813 1.00 0.00 N ATOM 0 H ARG A 120 -14.756 -0.860 -28.233 1.00 0.00 H new ATOM 0 HA ARG A 120 -17.407 0.012 -29.037 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -17.151 -1.857 -26.663 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -18.616 -1.291 -27.440 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -17.845 -2.575 -29.526 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -16.617 -3.303 -28.511 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -18.106 -4.778 -27.692 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -19.133 -3.476 -27.122 1.00 0.00 H new ATOM 0 HE ARG A 120 -19.274 -4.391 -29.972 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -20.791 -3.869 -26.814 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -22.425 -4.122 -27.437 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -21.374 -4.702 -30.749 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -22.752 -4.590 -29.649 1.00 0.00 H new ATOM 1933 N TRP A 121 -17.446 1.602 -27.121 1.00 0.00 N ATOM 1934 CA TRP A 121 -17.358 2.666 -26.135 1.00 0.00 C ATOM 1935 C TRP A 121 -18.311 2.367 -24.990 1.00 0.00 C ATOM 1936 O TRP A 121 -19.529 2.435 -25.148 1.00 0.00 O ATOM 1937 CB TRP A 121 -17.687 4.012 -26.778 1.00 0.00 C ATOM 1938 CG TRP A 121 -16.576 4.523 -27.639 1.00 0.00 C ATOM 1939 CD1 TRP A 121 -16.402 4.306 -28.975 1.00 0.00 C ATOM 1940 CD2 TRP A 121 -15.471 5.327 -27.216 1.00 0.00 C ATOM 1941 NE1 TRP A 121 -15.256 4.926 -29.410 1.00 0.00 N ATOM 1942 CE2 TRP A 121 -14.666 5.560 -28.348 1.00 0.00 C ATOM 1943 CE3 TRP A 121 -15.085 5.874 -25.990 1.00 0.00 C ATOM 1944 CZ2 TRP A 121 -13.500 6.314 -28.285 1.00 0.00 C ATOM 1945 CZ3 TRP A 121 -13.926 6.621 -25.931 1.00 0.00 C ATOM 1946 CH2 TRP A 121 -13.146 6.835 -27.072 1.00 0.00 C ATOM 0 H TRP A 121 -18.236 1.688 -27.761 1.00 0.00 H new ATOM 0 HA TRP A 121 -16.341 2.720 -25.746 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -18.591 3.913 -27.378 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -17.902 4.741 -25.997 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -17.069 3.730 -29.600 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -14.902 4.916 -30.367 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -15.683 5.715 -25.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -12.895 6.482 -29.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -13.616 7.047 -24.988 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -12.245 7.425 -26.993 1.00 0.00 H new ATOM 1957 N LEU A 122 -17.751 1.990 -23.847 1.00 0.00 N ATOM 1958 CA LEU A 122 -18.560 1.632 -22.691 1.00 0.00 C ATOM 1959 C LEU A 122 -18.026 2.260 -21.410 1.00 0.00 C ATOM 1960 O LEU A 122 -16.911 2.780 -21.377 1.00 0.00 O ATOM 1961 CB LEU A 122 -18.602 0.106 -22.541 1.00 0.00 C ATOM 1962 CG LEU A 122 -18.173 -0.699 -23.780 1.00 0.00 C ATOM 1963 CD1 LEU A 122 -16.780 -1.272 -23.585 1.00 0.00 C ATOM 1964 CD2 LEU A 122 -19.171 -1.810 -24.074 1.00 0.00 C ATOM 0 H LEU A 122 -16.744 1.925 -23.697 1.00 0.00 H new ATOM 0 HA LEU A 122 -19.566 2.017 -22.856 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -17.960 -0.176 -21.707 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -19.618 -0.186 -22.274 1.00 0.00 H new ATOM 0 HG LEU A 122 -18.153 -0.024 -24.636 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -16.492 -1.838 -24.471 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -16.071 -0.459 -23.428 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -16.776 -1.930 -22.716 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -18.848 -2.366 -24.954 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -19.227 -2.484 -23.219 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -20.154 -1.377 -24.260 1.00 0.00 H new ATOM 1976 N GLY A 123 -18.828 2.190 -20.352 1.00 0.00 N ATOM 1977 CA GLY A 123 -18.421 2.737 -19.075 1.00 0.00 C ATOM 1978 C GLY A 123 -17.426 1.838 -18.376 1.00 0.00 C ATOM 1979 O GLY A 123 -16.686 1.106 -19.027 1.00 0.00 O ATOM 0 H GLY A 123 -19.754 1.763 -20.359 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -17.979 3.722 -19.225 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -19.297 2.873 -18.441 1.00 0.00 H new ATOM 1983 N LEU A 124 -17.406 1.884 -17.052 1.00 0.00 N ATOM 1984 CA LEU A 124 -16.487 1.053 -16.284 1.00 0.00 C ATOM 1985 C LEU A 124 -16.978 -0.390 -16.218 1.00 0.00 C ATOM 1986 O LEU A 124 -16.192 -1.328 -16.326 1.00 0.00 O ATOM 1987 CB LEU A 124 -16.317 1.614 -14.872 1.00 0.00 C ATOM 1988 CG LEU A 124 -15.335 0.854 -13.974 1.00 0.00 C ATOM 1989 CD1 LEU A 124 -14.109 0.406 -14.757 1.00 0.00 C ATOM 1990 CD2 LEU A 124 -14.920 1.723 -12.799 1.00 0.00 C ATOM 0 H LEU A 124 -18.010 2.483 -16.489 1.00 0.00 H new ATOM 0 HA LEU A 124 -15.521 1.063 -16.789 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -15.985 2.649 -14.949 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -17.292 1.627 -14.385 1.00 0.00 H new ATOM 0 HG LEU A 124 -15.839 -0.036 -13.598 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -13.430 -0.130 -14.094 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -14.417 -0.251 -15.570 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -13.601 1.278 -15.168 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -14.222 1.173 -12.168 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -14.439 2.628 -13.168 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -15.801 1.992 -12.217 1.00 0.00 H new ATOM 2002 N GLU A 125 -18.285 -0.558 -16.033 1.00 0.00 N ATOM 2003 CA GLU A 125 -18.886 -1.887 -15.939 1.00 0.00 C ATOM 2004 C GLU A 125 -18.674 -2.697 -17.212 1.00 0.00 C ATOM 2005 O GLU A 125 -18.220 -3.841 -17.164 1.00 0.00 O ATOM 2006 CB GLU A 125 -20.384 -1.776 -15.643 1.00 0.00 C ATOM 2007 CG GLU A 125 -21.162 -0.961 -16.668 1.00 0.00 C ATOM 2008 CD GLU A 125 -22.618 -0.782 -16.285 1.00 0.00 C ATOM 2009 OE1 GLU A 125 -23.221 -1.751 -15.778 1.00 0.00 O ATOM 2010 OE2 GLU A 125 -23.154 0.326 -16.494 1.00 0.00 O ATOM 0 H GLU A 125 -18.950 0.211 -15.945 1.00 0.00 H new ATOM 0 HA GLU A 125 -18.390 -2.409 -15.120 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -20.809 -2.779 -15.594 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -20.517 -1.325 -14.660 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -20.696 0.018 -16.778 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -21.103 -1.453 -17.639 1.00 0.00 H new ATOM 2018 N GLU A 126 -19.013 -2.104 -18.351 1.00 0.00 N ATOM 2019 CA GLU A 126 -18.870 -2.783 -19.633 1.00 0.00 C ATOM 2020 C GLU A 126 -17.406 -2.884 -20.027 1.00 0.00 C ATOM 2021 O GLU A 126 -16.982 -3.855 -20.649 1.00 0.00 O ATOM 2022 CB GLU A 126 -19.656 -2.039 -20.708 1.00 0.00 C ATOM 2023 CG GLU A 126 -21.077 -2.545 -20.882 1.00 0.00 C ATOM 2024 CD GLU A 126 -21.824 -2.663 -19.569 1.00 0.00 C ATOM 2025 OE1 GLU A 126 -21.565 -3.628 -18.822 1.00 0.00 O ATOM 2026 OE2 GLU A 126 -22.670 -1.788 -19.287 1.00 0.00 O ATOM 0 H GLU A 126 -19.388 -1.157 -18.413 1.00 0.00 H new ATOM 0 HA GLU A 126 -19.269 -3.793 -19.537 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -19.685 -0.979 -20.457 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -19.129 -2.127 -21.658 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -21.620 -1.870 -21.544 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -21.054 -3.519 -21.370 1.00 0.00 H new ATOM 2034 N ALA A 127 -16.629 -1.886 -19.646 1.00 0.00 N ATOM 2035 CA ALA A 127 -15.211 -1.889 -19.944 1.00 0.00 C ATOM 2036 C ALA A 127 -14.519 -2.959 -19.111 1.00 0.00 C ATOM 2037 O ALA A 127 -13.518 -3.543 -19.523 1.00 0.00 O ATOM 2038 CB ALA A 127 -14.617 -0.521 -19.677 1.00 0.00 C ATOM 0 H ALA A 127 -16.955 -1.068 -19.132 1.00 0.00 H new ATOM 0 HA ALA A 127 -15.061 -2.119 -20.999 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -13.551 -0.536 -19.905 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -15.112 0.219 -20.306 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -14.760 -0.261 -18.628 1.00 0.00 H new ATOM 2044 N CYS A 128 -15.089 -3.216 -17.935 1.00 0.00 N ATOM 2045 CA CYS A 128 -14.571 -4.223 -17.025 1.00 0.00 C ATOM 2046 C CYS A 128 -15.107 -5.604 -17.397 1.00 0.00 C ATOM 2047 O CYS A 128 -14.437 -6.618 -17.193 1.00 0.00 O ATOM 2048 CB CYS A 128 -14.969 -3.878 -15.590 1.00 0.00 C ATOM 2049 SG CYS A 128 -13.755 -2.874 -14.703 1.00 0.00 S ATOM 0 H CYS A 128 -15.919 -2.732 -17.592 1.00 0.00 H new ATOM 0 HA CYS A 128 -13.484 -4.240 -17.102 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -15.920 -3.346 -15.607 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -15.131 -4.804 -15.038 1.00 0.00 H new ATOM 0 HG CYS A 128 -14.186 -2.635 -13.500 1.00 0.00 H new ATOM 2055 N GLN A 129 -16.325 -5.632 -17.940 1.00 0.00 N ATOM 2056 CA GLN A 129 -16.958 -6.887 -18.337 1.00 0.00 C ATOM 2057 C GLN A 129 -16.208 -7.527 -19.501 1.00 0.00 C ATOM 2058 O GLN A 129 -15.926 -8.725 -19.485 1.00 0.00 O ATOM 2059 CB GLN A 129 -18.438 -6.656 -18.684 1.00 0.00 C ATOM 2060 CG GLN A 129 -18.696 -6.121 -20.081 1.00 0.00 C ATOM 2061 CD GLN A 129 -18.906 -7.216 -21.108 1.00 0.00 C ATOM 2062 OE1 GLN A 129 -18.577 -8.379 -20.870 1.00 0.00 O ATOM 2063 NE2 GLN A 129 -19.458 -6.845 -22.257 1.00 0.00 N ATOM 0 H GLN A 129 -16.890 -4.801 -18.114 1.00 0.00 H new ATOM 0 HA GLN A 129 -16.914 -7.579 -17.496 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -18.974 -7.598 -18.568 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -18.860 -5.958 -17.961 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -19.575 -5.477 -20.060 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -17.854 -5.501 -20.387 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -19.714 -5.869 -22.408 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -19.626 -7.536 -22.988 1.00 0.00 H new ATOM 2072 N LEU A 130 -15.868 -6.719 -20.498 1.00 0.00 N ATOM 2073 CA LEU A 130 -15.126 -7.209 -21.654 1.00 0.00 C ATOM 2074 C LEU A 130 -13.676 -7.452 -21.264 1.00 0.00 C ATOM 2075 O LEU A 130 -13.100 -8.489 -21.591 1.00 0.00 O ATOM 2076 CB LEU A 130 -15.200 -6.211 -22.810 1.00 0.00 C ATOM 2077 CG LEU A 130 -16.611 -5.858 -23.279 1.00 0.00 C ATOM 2078 CD1 LEU A 130 -16.742 -4.364 -23.504 1.00 0.00 C ATOM 2079 CD2 LEU A 130 -16.967 -6.618 -24.550 1.00 0.00 C ATOM 0 H LEU A 130 -16.093 -5.725 -20.530 1.00 0.00 H new ATOM 0 HA LEU A 130 -15.574 -8.146 -21.985 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -14.695 -5.293 -22.509 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -14.645 -6.618 -23.655 1.00 0.00 H new ATOM 0 HG LEU A 130 -17.310 -6.154 -22.496 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -17.754 -4.134 -23.838 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -16.538 -3.836 -22.572 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -16.028 -4.047 -24.264 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -17.976 -6.350 -24.864 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -16.261 -6.359 -25.339 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -16.920 -7.690 -24.358 1.00 0.00 H new ATOM 2091 N ALA A 131 -13.098 -6.499 -20.537 1.00 0.00 N ATOM 2092 CA ALA A 131 -11.721 -6.621 -20.073 1.00 0.00 C ATOM 2093 C ALA A 131 -11.658 -7.519 -18.841 1.00 0.00 C ATOM 2094 O ALA A 131 -11.100 -7.144 -17.810 1.00 0.00 O ATOM 2095 CB ALA A 131 -11.133 -5.255 -19.765 1.00 0.00 C ATOM 0 H ALA A 131 -13.562 -5.635 -20.257 1.00 0.00 H new ATOM 0 HA ALA A 131 -11.129 -7.074 -20.868 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -10.105 -5.371 -19.421 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -11.147 -4.641 -20.666 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.724 -4.771 -18.987 1.00 0.00 H new ATOM 2101 N GLN A 132 -12.247 -8.705 -18.968 1.00 0.00 N ATOM 2102 CA GLN A 132 -12.294 -9.693 -17.883 1.00 0.00 C ATOM 2103 C GLN A 132 -10.979 -9.735 -17.099 1.00 0.00 C ATOM 2104 O GLN A 132 -10.963 -10.058 -15.911 1.00 0.00 O ATOM 2105 CB GLN A 132 -12.626 -11.106 -18.417 1.00 0.00 C ATOM 2106 CG GLN A 132 -12.629 -11.256 -19.938 1.00 0.00 C ATOM 2107 CD GLN A 132 -13.940 -11.807 -20.472 1.00 0.00 C ATOM 2108 OE1 GLN A 132 -15.051 -11.336 -19.917 1.00 0.00 O flip ATOM 2109 NE2 GLN A 132 -13.951 -12.645 -21.373 1.00 0.00 N flip ATOM 0 H GLN A 132 -12.707 -9.013 -19.825 1.00 0.00 H new ATOM 0 HA GLN A 132 -13.090 -9.377 -17.209 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -11.904 -11.810 -18.002 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -13.607 -11.396 -18.040 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -12.435 -10.285 -20.395 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -11.814 -11.917 -20.235 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -13.073 -12.979 -21.770 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -14.838 -13.006 -21.723 1.00 0.00 H new ATOM 2118 N PHE A 133 -9.886 -9.400 -17.771 1.00 0.00 N ATOM 2119 CA PHE A 133 -8.571 -9.389 -17.147 1.00 0.00 C ATOM 2120 C PHE A 133 -8.559 -8.444 -15.946 1.00 0.00 C ATOM 2121 O PHE A 133 -8.778 -7.241 -16.089 1.00 0.00 O ATOM 2122 CB PHE A 133 -7.517 -8.972 -18.176 1.00 0.00 C ATOM 2123 CG PHE A 133 -7.361 -9.958 -19.305 1.00 0.00 C ATOM 2124 CD1 PHE A 133 -8.417 -10.229 -20.163 1.00 0.00 C ATOM 2125 CD2 PHE A 133 -6.159 -10.621 -19.500 1.00 0.00 C ATOM 2126 CE1 PHE A 133 -8.278 -11.137 -21.191 1.00 0.00 C ATOM 2127 CE2 PHE A 133 -6.016 -11.533 -20.530 1.00 0.00 C ATOM 2128 CZ PHE A 133 -7.078 -11.792 -21.376 1.00 0.00 C ATOM 0 H PHE A 133 -9.885 -9.131 -18.755 1.00 0.00 H new ATOM 0 HA PHE A 133 -8.336 -10.392 -16.789 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -7.786 -7.999 -18.587 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -6.557 -8.851 -17.674 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -9.360 -9.722 -20.024 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -5.326 -10.423 -18.841 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -9.109 -11.336 -21.852 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -5.075 -12.043 -20.673 1.00 0.00 H new ATOM 0 HZ PHE A 133 -6.969 -12.505 -22.180 1.00 0.00 H new ATOM 2138 N LYS A 134 -8.319 -9.002 -14.760 1.00 0.00 N ATOM 2139 CA LYS A 134 -8.297 -8.221 -13.521 1.00 0.00 C ATOM 2140 C LYS A 134 -7.491 -6.938 -13.676 1.00 0.00 C ATOM 2141 O LYS A 134 -7.906 -5.866 -13.231 1.00 0.00 O ATOM 2142 CB LYS A 134 -7.701 -9.053 -12.386 1.00 0.00 C ATOM 2143 CG LYS A 134 -7.647 -8.317 -11.053 1.00 0.00 C ATOM 2144 CD LYS A 134 -6.278 -8.437 -10.399 1.00 0.00 C ATOM 2145 CE LYS A 134 -6.380 -8.889 -8.951 1.00 0.00 C ATOM 2146 NZ LYS A 134 -7.265 -8.002 -8.144 1.00 0.00 N ATOM 0 H LYS A 134 -8.136 -9.997 -14.630 1.00 0.00 H new ATOM 0 HA LYS A 134 -9.327 -7.953 -13.287 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -8.290 -9.962 -12.266 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -6.693 -9.360 -12.663 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -7.885 -7.265 -11.208 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -8.407 -8.720 -10.384 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -5.669 -9.147 -10.959 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -5.768 -7.475 -10.444 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -6.763 -9.909 -8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -5.385 -8.907 -8.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -6.994 -8.060 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -7.166 -7.020 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -8.254 -8.306 -8.253 1.00 0.00 H new ATOM 2160 N GLU A 135 -6.332 -7.065 -14.290 1.00 0.00 N ATOM 2161 CA GLU A 135 -5.436 -5.936 -14.498 1.00 0.00 C ATOM 2162 C GLU A 135 -6.146 -4.774 -15.188 1.00 0.00 C ATOM 2163 O GLU A 135 -6.121 -3.646 -14.698 1.00 0.00 O ATOM 2164 CB GLU A 135 -4.221 -6.379 -15.317 1.00 0.00 C ATOM 2165 CG GLU A 135 -3.608 -7.689 -14.840 1.00 0.00 C ATOM 2166 CD GLU A 135 -4.318 -8.915 -15.383 1.00 0.00 C ATOM 2167 OE1 GLU A 135 -5.383 -8.752 -16.013 1.00 0.00 O ATOM 2168 OE2 GLU A 135 -3.814 -10.038 -15.172 1.00 0.00 O ATOM 0 H GLU A 135 -5.982 -7.949 -14.659 1.00 0.00 H new ATOM 0 HA GLU A 135 -5.104 -5.585 -13.521 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -4.516 -6.485 -16.361 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -3.462 -5.597 -15.278 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -2.560 -7.722 -15.139 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -3.630 -7.717 -13.751 1.00 0.00 H new ATOM 2176 N MET A 136 -6.775 -5.051 -16.325 1.00 0.00 N ATOM 2177 CA MET A 136 -7.481 -4.019 -17.074 1.00 0.00 C ATOM 2178 C MET A 136 -8.623 -3.426 -16.261 1.00 0.00 C ATOM 2179 O MET A 136 -8.746 -2.207 -16.145 1.00 0.00 O ATOM 2180 CB MET A 136 -8.008 -4.586 -18.387 1.00 0.00 C ATOM 2181 CG MET A 136 -6.912 -4.922 -19.379 1.00 0.00 C ATOM 2182 SD MET A 136 -6.551 -3.561 -20.512 1.00 0.00 S ATOM 2183 CE MET A 136 -6.481 -2.166 -19.386 1.00 0.00 C ATOM 0 H MET A 136 -6.810 -5.979 -16.747 1.00 0.00 H new ATOM 0 HA MET A 136 -6.773 -3.219 -17.290 1.00 0.00 H new ATOM 0 HB2 MET A 136 -8.588 -5.485 -18.179 1.00 0.00 H new ATOM 0 HB3 MET A 136 -8.689 -3.864 -18.839 1.00 0.00 H new ATOM 0 HG2 MET A 136 -6.005 -5.186 -18.835 1.00 0.00 H new ATOM 0 HG3 MET A 136 -7.206 -5.800 -19.955 1.00 0.00 H new ATOM 0 HE1 MET A 136 -6.354 -1.245 -19.955 1.00 0.00 H new ATOM 0 HE2 MET A 136 -7.407 -2.114 -18.813 1.00 0.00 H new ATOM 0 HE3 MET A 136 -5.639 -2.290 -18.705 1.00 0.00 H new ATOM 2193 N LYS A 137 -9.456 -4.294 -15.692 1.00 0.00 N ATOM 2194 CA LYS A 137 -10.583 -3.843 -14.883 1.00 0.00 C ATOM 2195 C LYS A 137 -10.119 -2.805 -13.872 1.00 0.00 C ATOM 2196 O LYS A 137 -10.802 -1.814 -13.627 1.00 0.00 O ATOM 2197 CB LYS A 137 -11.222 -5.023 -14.157 1.00 0.00 C ATOM 2198 CG LYS A 137 -12.249 -5.773 -14.991 1.00 0.00 C ATOM 2199 CD LYS A 137 -11.862 -7.231 -15.174 1.00 0.00 C ATOM 2200 CE LYS A 137 -12.234 -8.074 -13.962 1.00 0.00 C ATOM 2201 NZ LYS A 137 -11.611 -7.568 -12.707 1.00 0.00 N ATOM 0 H LYS A 137 -9.372 -5.307 -15.776 1.00 0.00 H new ATOM 0 HA LYS A 137 -11.325 -3.392 -15.542 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -10.439 -5.717 -13.852 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -11.701 -4.662 -13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -13.225 -5.712 -14.509 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -12.345 -5.296 -15.966 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -12.357 -7.630 -16.059 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -10.789 -7.302 -15.350 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -13.318 -8.084 -13.848 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -11.922 -9.105 -14.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -11.461 -8.360 -12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -10.697 -7.124 -12.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -12.239 -6.867 -12.266 1.00 0.00 H new ATOM 2215 N ALA A 138 -8.942 -3.040 -13.305 1.00 0.00 N ATOM 2216 CA ALA A 138 -8.369 -2.120 -12.338 1.00 0.00 C ATOM 2217 C ALA A 138 -7.899 -0.852 -13.038 1.00 0.00 C ATOM 2218 O ALA A 138 -8.186 0.257 -12.589 1.00 0.00 O ATOM 2219 CB ALA A 138 -7.223 -2.777 -11.595 1.00 0.00 C ATOM 0 H ALA A 138 -8.368 -3.860 -13.500 1.00 0.00 H new ATOM 0 HA ALA A 138 -9.136 -1.852 -11.611 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -6.806 -2.073 -10.875 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -7.588 -3.660 -11.070 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -6.450 -3.071 -12.305 1.00 0.00 H new ATOM 2225 N ALA A 139 -7.192 -1.026 -14.151 1.00 0.00 N ATOM 2226 CA ALA A 139 -6.700 0.106 -14.927 1.00 0.00 C ATOM 2227 C ALA A 139 -7.851 1.043 -15.267 1.00 0.00 C ATOM 2228 O ALA A 139 -7.723 2.265 -15.186 1.00 0.00 O ATOM 2229 CB ALA A 139 -6.018 -0.375 -16.198 1.00 0.00 C ATOM 0 H ALA A 139 -6.948 -1.939 -14.535 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.968 0.648 -14.329 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.657 0.483 -16.765 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -5.177 -1.018 -15.939 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -6.730 -0.936 -16.803 1.00 0.00 H new ATOM 2235 N LEU A 140 -8.986 0.453 -15.631 1.00 0.00 N ATOM 2236 CA LEU A 140 -10.177 1.220 -15.966 1.00 0.00 C ATOM 2237 C LEU A 140 -10.886 1.674 -14.693 1.00 0.00 C ATOM 2238 O LEU A 140 -11.572 2.694 -14.681 1.00 0.00 O ATOM 2239 CB LEU A 140 -11.135 0.385 -16.824 1.00 0.00 C ATOM 2240 CG LEU A 140 -10.489 -0.346 -18.007 1.00 0.00 C ATOM 2241 CD1 LEU A 140 -10.995 -1.778 -18.092 1.00 0.00 C ATOM 2242 CD2 LEU A 140 -10.771 0.387 -19.309 1.00 0.00 C ATOM 0 H LEU A 140 -9.104 -0.558 -15.701 1.00 0.00 H new ATOM 0 HA LEU A 140 -9.870 2.096 -16.537 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -11.620 -0.352 -16.184 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -11.918 1.040 -17.207 1.00 0.00 H new ATOM 0 HG LEU A 140 -9.411 -0.366 -17.846 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -10.525 -2.280 -18.938 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -10.746 -2.307 -17.172 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -12.077 -1.774 -18.227 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -10.304 -0.148 -20.136 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -11.848 0.438 -19.472 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -10.364 1.397 -19.254 1.00 0.00 H new ATOM 2254 N GLN A 141 -10.719 0.897 -13.622 1.00 0.00 N ATOM 2255 CA GLN A 141 -11.348 1.209 -12.342 1.00 0.00 C ATOM 2256 C GLN A 141 -10.772 2.479 -11.730 1.00 0.00 C ATOM 2257 O GLN A 141 -11.509 3.395 -11.367 1.00 0.00 O ATOM 2258 CB GLN A 141 -11.156 0.046 -11.363 1.00 0.00 C ATOM 2259 CG GLN A 141 -12.456 -0.612 -10.938 1.00 0.00 C ATOM 2260 CD GLN A 141 -13.162 0.135 -9.819 1.00 0.00 C ATOM 2261 OE1 GLN A 141 -13.356 1.439 -9.995 1.00 0.00 O flip ATOM 2262 NE2 GLN A 141 -13.531 -0.454 -8.804 1.00 0.00 N flip ATOM 0 H GLN A 141 -10.154 0.048 -13.617 1.00 0.00 H new ATOM 0 HA GLN A 141 -12.410 1.367 -12.528 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -10.513 -0.704 -11.824 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -10.636 0.410 -10.477 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -13.121 -0.679 -11.799 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -12.251 -1.632 -10.613 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -13.364 -1.455 -8.706 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -14.004 0.059 -8.060 1.00 0.00 H new ATOM 2271 N GLU A 142 -9.452 2.524 -11.615 1.00 0.00 N ATOM 2272 CA GLU A 142 -8.781 3.677 -11.039 1.00 0.00 C ATOM 2273 C GLU A 142 -8.798 4.848 -12.013 1.00 0.00 C ATOM 2274 O GLU A 142 -8.747 6.008 -11.601 1.00 0.00 O ATOM 2275 CB GLU A 142 -7.354 3.307 -10.639 1.00 0.00 C ATOM 2276 CG GLU A 142 -7.289 2.521 -9.341 1.00 0.00 C ATOM 2277 CD GLU A 142 -8.062 1.220 -9.411 1.00 0.00 C ATOM 2278 OE1 GLU A 142 -9.195 1.173 -8.886 1.00 0.00 O ATOM 2279 OE2 GLU A 142 -7.537 0.247 -9.992 1.00 0.00 O ATOM 0 H GLU A 142 -8.827 1.775 -11.913 1.00 0.00 H new ATOM 0 HA GLU A 142 -9.316 3.987 -10.141 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -6.899 2.720 -11.437 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -6.763 4.217 -10.537 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -6.247 2.308 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -7.685 3.132 -8.530 1.00 0.00 H new ATOM 2287 N GLY A 143 -8.895 4.542 -13.304 1.00 0.00 N ATOM 2288 CA GLY A 143 -8.945 5.588 -14.302 1.00 0.00 C ATOM 2289 C GLY A 143 -10.166 6.463 -14.114 1.00 0.00 C ATOM 2290 O GLY A 143 -10.083 7.686 -14.183 1.00 0.00 O ATOM 0 H GLY A 143 -8.939 3.592 -13.672 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -8.044 6.198 -14.240 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.961 5.145 -15.298 1.00 0.00 H new ATOM 2294 N HIS A 144 -11.301 5.824 -13.848 1.00 0.00 N ATOM 2295 CA HIS A 144 -12.550 6.537 -13.618 1.00 0.00 C ATOM 2296 C HIS A 144 -12.588 7.075 -12.193 1.00 0.00 C ATOM 2297 O HIS A 144 -13.176 8.122 -11.926 1.00 0.00 O ATOM 2298 CB HIS A 144 -13.745 5.610 -13.857 1.00 0.00 C ATOM 2299 CG HIS A 144 -15.009 6.335 -14.199 1.00 0.00 C ATOM 2300 ND1 HIS A 144 -16.151 6.266 -13.429 1.00 0.00 N ATOM 2301 CD2 HIS A 144 -15.310 7.146 -15.241 1.00 0.00 C ATOM 2302 CE1 HIS A 144 -17.098 7.003 -13.980 1.00 0.00 C ATOM 2303 NE2 HIS A 144 -16.614 7.549 -15.080 1.00 0.00 N ATOM 0 H HIS A 144 -11.380 4.809 -13.787 1.00 0.00 H new ATOM 0 HA HIS A 144 -12.609 7.371 -14.317 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -13.502 4.920 -14.665 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -13.912 5.009 -12.963 1.00 0.00 H new ATOM 0 HD1 HIS A 144 -16.249 5.729 -12.567 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -14.649 7.424 -16.048 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -18.099 7.136 -13.596 1.00 0.00 H new ATOM 2312 N GLN A 145 -11.954 6.341 -11.281 1.00 0.00 N ATOM 2313 CA GLN A 145 -11.905 6.728 -9.876 1.00 0.00 C ATOM 2314 C GLN A 145 -11.115 8.020 -9.699 1.00 0.00 C ATOM 2315 O GLN A 145 -11.583 8.965 -9.062 1.00 0.00 O ATOM 2316 CB GLN A 145 -11.272 5.610 -9.044 1.00 0.00 C ATOM 2317 CG GLN A 145 -11.315 5.863 -7.546 1.00 0.00 C ATOM 2318 CD GLN A 145 -12.716 5.766 -6.978 1.00 0.00 C ATOM 2319 OE1 GLN A 145 -13.699 5.737 -7.719 1.00 0.00 O ATOM 2320 NE2 GLN A 145 -12.816 5.714 -5.654 1.00 0.00 N ATOM 0 H GLN A 145 -11.465 5.471 -11.493 1.00 0.00 H new ATOM 0 HA GLN A 145 -12.925 6.897 -9.531 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -11.786 4.673 -9.260 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -10.234 5.483 -9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -10.672 5.142 -7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -10.910 6.853 -7.337 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -11.975 5.741 -5.078 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -13.734 5.647 -5.214 1.00 0.00 H new ATOM 2329 N PHE A 146 -9.916 8.052 -10.265 1.00 0.00 N ATOM 2330 CA PHE A 146 -9.056 9.223 -10.174 1.00 0.00 C ATOM 2331 C PHE A 146 -9.704 10.425 -10.861 1.00 0.00 C ATOM 2332 O PHE A 146 -9.793 11.510 -10.284 1.00 0.00 O ATOM 2333 CB PHE A 146 -7.692 8.921 -10.805 1.00 0.00 C ATOM 2334 CG PHE A 146 -6.767 10.103 -10.845 1.00 0.00 C ATOM 2335 CD1 PHE A 146 -6.807 10.992 -11.905 1.00 0.00 C ATOM 2336 CD2 PHE A 146 -5.857 10.325 -9.825 1.00 0.00 C ATOM 2337 CE1 PHE A 146 -5.960 12.081 -11.947 1.00 0.00 C ATOM 2338 CE2 PHE A 146 -5.005 11.413 -9.860 1.00 0.00 C ATOM 2339 CZ PHE A 146 -5.058 12.294 -10.924 1.00 0.00 C ATOM 0 H PHE A 146 -9.516 7.277 -10.794 1.00 0.00 H new ATOM 0 HA PHE A 146 -8.914 9.468 -9.121 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -7.214 8.116 -10.246 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -7.845 8.557 -11.821 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -7.510 10.832 -12.709 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -5.812 9.639 -8.992 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -6.003 12.767 -12.780 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -4.300 11.574 -9.058 1.00 0.00 H new ATOM 0 HZ PHE A 146 -4.396 13.146 -10.955 1.00 0.00 H new ATOM 2349 N LEU A 147 -10.148 10.223 -12.095 1.00 0.00 N ATOM 2350 CA LEU A 147 -10.783 11.280 -12.874 1.00 0.00 C ATOM 2351 C LEU A 147 -11.975 11.885 -12.141 1.00 0.00 C ATOM 2352 O LEU A 147 -12.277 13.068 -12.301 1.00 0.00 O ATOM 2353 CB LEU A 147 -11.215 10.733 -14.228 1.00 0.00 C ATOM 2354 CG LEU A 147 -10.054 10.330 -15.130 1.00 0.00 C ATOM 2355 CD1 LEU A 147 -10.554 9.624 -16.375 1.00 0.00 C ATOM 2356 CD2 LEU A 147 -9.231 11.551 -15.499 1.00 0.00 C ATOM 0 H LEU A 147 -10.079 9.329 -12.582 1.00 0.00 H new ATOM 0 HA LEU A 147 -10.053 12.076 -13.020 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -11.858 9.867 -14.071 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -11.815 11.486 -14.739 1.00 0.00 H new ATOM 0 HG LEU A 147 -9.419 9.633 -14.584 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -9.706 9.347 -17.002 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -11.102 8.726 -16.089 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -11.214 10.290 -16.931 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -8.404 11.251 -16.143 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -9.860 12.268 -16.026 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -8.836 12.011 -14.593 1.00 0.00 H new ATOM 2368 N CYS A 148 -12.642 11.076 -11.329 1.00 0.00 N ATOM 2369 CA CYS A 148 -13.791 11.546 -10.568 1.00 0.00 C ATOM 2370 C CYS A 148 -13.344 12.433 -9.409 1.00 0.00 C ATOM 2371 O CYS A 148 -14.135 13.201 -8.864 1.00 0.00 O ATOM 2372 CB CYS A 148 -14.596 10.362 -10.033 1.00 0.00 C ATOM 2373 SG CYS A 148 -15.889 9.778 -11.154 1.00 0.00 S ATOM 0 H CYS A 148 -12.408 10.094 -11.181 1.00 0.00 H new ATOM 0 HA CYS A 148 -14.422 12.133 -11.235 1.00 0.00 H new ATOM 0 HB2 CYS A 148 -13.914 9.538 -9.823 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -15.053 10.647 -9.085 1.00 0.00 H new ATOM 0 HG CYS A 148 -15.393 8.891 -11.964 1.00 0.00 H new ATOM 2379 N SER A 149 -12.070 12.323 -9.042 1.00 0.00 N ATOM 2380 CA SER A 149 -11.525 13.115 -7.948 1.00 0.00 C ATOM 2381 C SER A 149 -10.910 14.418 -8.455 1.00 0.00 C ATOM 2382 O SER A 149 -10.568 15.295 -7.663 1.00 0.00 O ATOM 2383 CB SER A 149 -10.480 12.308 -7.174 1.00 0.00 C ATOM 2384 OG SER A 149 -10.834 12.195 -5.805 1.00 0.00 O ATOM 0 H SER A 149 -11.400 11.695 -9.485 1.00 0.00 H new ATOM 0 HA SER A 149 -12.348 13.367 -7.280 1.00 0.00 H new ATOM 0 HB2 SER A 149 -10.386 11.314 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 149 -9.506 12.789 -7.263 1.00 0.00 H new ATOM 0 HG SER A 149 -10.152 11.674 -5.333 1.00 0.00 H new ATOM 2390 N ILE A 150 -10.772 14.550 -9.774 1.00 0.00 N ATOM 2391 CA ILE A 150 -10.202 15.760 -10.345 1.00 0.00 C ATOM 2392 C ILE A 150 -11.290 16.821 -10.546 1.00 0.00 C ATOM 2393 O ILE A 150 -12.057 17.106 -9.628 1.00 0.00 O ATOM 2394 CB ILE A 150 -9.460 15.492 -11.681 1.00 0.00 C ATOM 2395 CG1 ILE A 150 -8.990 14.041 -11.800 1.00 0.00 C ATOM 2396 CG2 ILE A 150 -8.275 16.436 -11.802 1.00 0.00 C ATOM 2397 CD1 ILE A 150 -8.429 13.720 -13.164 1.00 0.00 C ATOM 0 H ILE A 150 -11.044 13.842 -10.456 1.00 0.00 H new ATOM 0 HA ILE A 150 -9.463 16.130 -9.634 1.00 0.00 H new ATOM 0 HB ILE A 150 -10.163 15.671 -12.494 1.00 0.00 H new ATOM 0 HG12 ILE A 150 -8.229 13.847 -11.044 1.00 0.00 H new ATOM 0 HG13 ILE A 150 -9.826 13.374 -11.590 1.00 0.00 H new ATOM 0 HG21 ILE A 150 -7.754 16.247 -12.741 1.00 0.00 H new ATOM 0 HG22 ILE A 150 -8.628 17.467 -11.784 1.00 0.00 H new ATOM 0 HG23 ILE A 150 -7.592 16.271 -10.969 1.00 0.00 H new ATOM 0 HD11 ILE A 150 -8.111 12.678 -13.191 1.00 0.00 H new ATOM 0 HD12 ILE A 150 -9.196 13.885 -13.921 1.00 0.00 H new ATOM 0 HD13 ILE A 150 -7.574 14.365 -13.367 1.00 0.00 H new ATOM 2409 N GLU A 151 -11.354 17.407 -11.739 1.00 0.00 N ATOM 2410 CA GLU A 151 -12.349 18.429 -12.039 1.00 0.00 C ATOM 2411 C GLU A 151 -12.310 18.797 -13.519 1.00 0.00 C ATOM 2412 O GLU A 151 -13.243 18.509 -14.267 1.00 0.00 O ATOM 2413 CB GLU A 151 -12.105 19.673 -11.186 1.00 0.00 C ATOM 2414 CG GLU A 151 -13.378 20.425 -10.834 1.00 0.00 C ATOM 2415 CD GLU A 151 -13.744 20.305 -9.368 1.00 0.00 C ATOM 2416 OE1 GLU A 151 -14.942 20.439 -9.042 1.00 0.00 O ATOM 2417 OE2 GLU A 151 -12.834 20.079 -8.545 1.00 0.00 O ATOM 0 H GLU A 151 -10.727 17.190 -12.514 1.00 0.00 H new ATOM 0 HA GLU A 151 -13.335 18.027 -11.805 1.00 0.00 H new ATOM 0 HB2 GLU A 151 -11.599 19.380 -10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 151 -11.432 20.344 -11.720 1.00 0.00 H new ATOM 0 HG2 GLU A 151 -13.255 21.478 -11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 151 -14.199 20.044 -11.441 1.00 0.00 H new ATOM 2425 N ALA A 152 -11.219 19.438 -13.934 1.00 0.00 N ATOM 2426 CA ALA A 152 -11.046 19.849 -15.322 1.00 0.00 C ATOM 2427 C ALA A 152 -9.753 20.637 -15.497 1.00 0.00 C ATOM 2428 O ALA A 152 -9.036 20.896 -14.530 1.00 0.00 O ATOM 2429 CB ALA A 152 -12.239 20.676 -15.788 1.00 0.00 C ATOM 0 H ALA A 152 -10.439 19.684 -13.324 1.00 0.00 H new ATOM 0 HA ALA A 152 -10.985 18.951 -15.936 1.00 0.00 H new ATOM 0 HB1 ALA A 152 -12.092 20.974 -16.826 1.00 0.00 H new ATOM 0 HB2 ALA A 152 -13.148 20.081 -15.706 1.00 0.00 H new ATOM 0 HB3 ALA A 152 -12.331 21.566 -15.165 1.00 0.00 H new ATOM 2435 N LEU A 153 -9.459 21.020 -16.736 1.00 0.00 N ATOM 2436 CA LEU A 153 -8.249 21.782 -17.032 1.00 0.00 C ATOM 2437 C LEU A 153 -8.473 23.273 -16.784 1.00 0.00 C ATOM 2438 CB LEU A 153 -7.813 21.550 -18.483 1.00 0.00 C ATOM 2439 CG LEU A 153 -6.489 20.796 -18.643 1.00 0.00 C ATOM 2440 CD1 LEU A 153 -6.742 19.351 -19.045 1.00 0.00 C ATOM 2441 CD2 LEU A 153 -5.599 21.488 -19.669 1.00 0.00 C ATOM 0 H LEU A 153 -10.040 20.816 -17.549 1.00 0.00 H new ATOM 0 HA LEU A 153 -7.458 21.436 -16.366 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -8.596 20.994 -18.998 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -7.727 22.516 -18.981 1.00 0.00 H new ATOM 0 HG LEU A 153 -5.974 20.800 -17.682 1.00 0.00 H new ATOM 0 HD11 LEU A 153 -5.790 18.832 -19.154 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -7.338 18.859 -18.277 1.00 0.00 H new ATOM 0 HD13 LEU A 153 -7.279 19.326 -19.993 1.00 0.00 H new ATOM 0 HD21 LEU A 153 -4.663 20.938 -19.769 1.00 0.00 H new ATOM 0 HD22 LEU A 153 -6.108 21.516 -20.632 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -5.388 22.506 -19.340 1.00 0.00 H new TER 2453 LEU A 153 HETATM 2454 PG ATP A 154 1.283 -14.717 -30.760 1.00 0.00 P HETATM 2455 O1G ATP A 154 2.094 -15.624 -29.908 1.00 0.00 O HETATM 2456 O2G ATP A 154 2.301 -14.230 -31.723 1.00 0.00 O HETATM 2457 O3G ATP A 154 0.115 -15.246 -31.510 1.00 0.00 O HETATM 2458 PB ATP A 154 0.797 -12.114 -30.151 1.00 0.00 P HETATM 2459 O1B ATP A 154 -0.380 -11.810 -31.005 1.00 0.00 O HETATM 2460 O2B ATP A 154 2.159 -11.721 -30.597 1.00 0.00 O HETATM 2461 O3B ATP A 154 0.776 -13.584 -29.943 1.00 0.00 O HETATM 2462 PA ATP A 154 -0.731 -11.050 -28.142 1.00 0.00 P HETATM 2463 O1A ATP A 154 -1.266 -9.667 -28.213 1.00 0.00 O HETATM 2464 O2A ATP A 154 -1.669 -12.188 -28.317 1.00 0.00 O HETATM 2465 O3A ATP A 154 0.501 -11.348 -28.914 1.00 0.00 O HETATM 2466 O5' ATP A 154 -0.076 -11.125 -26.693 1.00 0.00 O HETATM 2467 C5' ATP A 154 -0.829 -10.789 -25.532 1.00 0.00 C HETATM 2468 C4' ATP A 154 -1.398 -12.038 -24.902 1.00 0.00 C HETATM 2469 O4' ATP A 154 -1.513 -11.815 -23.471 1.00 0.00 O HETATM 2470 C3' ATP A 154 -2.796 -12.425 -25.379 1.00 0.00 C HETATM 2471 O3' ATP A 154 -2.949 -13.836 -25.446 1.00 0.00 O HETATM 2472 C2' ATP A 154 -3.709 -11.800 -24.330 1.00 0.00 C HETATM 2473 O2' ATP A 154 -4.895 -12.554 -24.170 1.00 0.00 O HETATM 2474 C1' ATP A 154 -2.860 -11.955 -23.073 1.00 0.00 C HETATM 2475 N9 ATP A 154 -3.138 -10.959 -22.040 1.00 0.00 N HETATM 2476 C8 ATP A 154 -3.826 -9.776 -22.161 1.00 0.00 C HETATM 2477 N7 ATP A 154 -3.904 -9.095 -21.044 1.00 0.00 N HETATM 2478 C5 ATP A 154 -3.222 -9.883 -20.124 1.00 0.00 C HETATM 2479 C6 ATP A 154 -2.946 -9.718 -18.758 1.00 0.00 C HETATM 2480 N6 ATP A 154 -3.334 -8.658 -18.046 1.00 0.00 N HETATM 2481 N1 ATP A 154 -2.246 -10.694 -18.138 1.00 0.00 N HETATM 2482 C2 ATP A 154 -1.850 -11.754 -18.855 1.00 0.00 C HETATM 2483 N3 ATP A 154 -2.046 -12.020 -20.141 1.00 0.00 N HETATM 2484 C4 ATP A 154 -2.747 -11.033 -20.726 1.00 0.00 C HETATM 0 HO3' ATP A 154 -3.742 -14.104 -24.936 1.00 0.00 H new HETATM 0 HO2' ATP A 154 -5.395 -12.218 -23.397 1.00 0.00 H new HETATM 0 HN62 ATP A 154 -3.102 -8.597 -17.055 1.00 0.00 H new HETATM 0 HN61 ATP A 154 -3.863 -7.909 -18.493 1.00 0.00 H new HETATM 0 H5'2 ATP A 154 -0.194 -10.268 -24.816 1.00 0.00 H new HETATM 0 H5'1 ATP A 154 -1.636 -10.106 -25.798 1.00 0.00 H new HETATM 0 H8 ATP A 154 -4.266 -9.436 -23.098 1.00 0.00 H new HETATM 0 H4' ATP A 154 -0.716 -12.840 -25.184 1.00 0.00 H new HETATM 0 H3' ATP A 154 -3.017 -12.076 -26.388 1.00 0.00 H new HETATM 0 H2' ATP A 154 -4.018 -10.783 -24.573 1.00 0.00 H new HETATM 0 H2 ATP A 154 -1.286 -12.506 -18.304 1.00 0.00 H new HETATM 0 H1' ATP A 154 -3.088 -12.926 -22.633 1.00 0.00 H new