USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 911 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 GLN : amide:sc= -0.495 K(o=-0.71,f=-1.9) USER MOD Set 1.2: B 19 SER OG : rot -60:sc= -0.219 USER MOD Set 2.1: A 52 ASN : amide:sc= -6.2! C(o=-11!,f=-12!) USER MOD Set 2.2: B 16 SER OG : rot 76:sc= -4.78! USER MOD Set 3.1: A 46 MET CE :methyl 137:sc= -0.776 (180deg=-6.42!) USER MOD Set 3.2: B 9 ASN :FLIP amide:sc= -0.998 F(o=-5.9!,f=-1.8) USER MOD Set 4.1: A 11 MET CE :methyl 131:sc= -0.404 (180deg=-0.308) USER MOD Set 4.2: A 23 MET CE :methyl -133:sc= -0.177 (180deg=0) USER MOD Set 5.1: A 18 GLN : amide:sc= 0 X(o=0.41,f=0.35) USER MOD Set 5.2: B 20 SER OG : rot 115:sc= 0.411 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0729 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0427 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= -3.63! (180deg=-4.08!) USER MOD Single : A 22 GLN :FLIP amide:sc= -3.68! C(o=-5.5!,f=-3.7!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -5.82! C(o=-7.4!,f=-5.8!) USER MOD Single : A 38 THR OG1 : rot 176:sc= -3.35! USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= 1.25 (180deg=0.957) USER MOD Single : A 44 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -0.0305 F(o=-0.96,f=-0.03) USER MOD Single : A 58 MET CE :methyl 148:sc= -0.253 (180deg=-1.41) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 71:sc= 1.09 USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= 0.844 (180deg=0.122) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.235 F(o=-1,f=-0.24) USER MOD Single : A 80 GLN : amide:sc= -0.359 K(o=-0.36,f=-2.5!) USER MOD Single : A 82 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.457) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0325) USER MOD Single : A 90 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.29) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 VAL N :NH3+ -178:sc= -0.458 (180deg=-0.505) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot -100:sc= -0.54 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.305 -11.667 -16.229 1.00 0.00 N ATOM 2 CA GLY A 1 13.540 -11.960 -14.787 1.00 0.00 C ATOM 3 C GLY A 1 12.326 -12.574 -14.112 1.00 0.00 C ATOM 4 O GLY A 1 11.373 -12.968 -14.785 1.00 0.00 O ATOM 0 H1 GLY A 1 14.007 -12.173 -16.805 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.349 -11.979 -16.495 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.394 -10.644 -16.394 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.387 -12.639 -14.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.811 -11.038 -14.272 1.00 0.00 H new ATOM 10 N PRO A 2 12.335 -12.674 -12.772 1.00 0.00 N ATOM 11 CA PRO A 2 11.220 -13.254 -12.015 1.00 0.00 C ATOM 12 C PRO A 2 9.976 -12.368 -12.027 1.00 0.00 C ATOM 13 O PRO A 2 10.023 -11.207 -11.617 1.00 0.00 O ATOM 14 CB PRO A 2 11.777 -13.374 -10.595 1.00 0.00 C ATOM 15 CG PRO A 2 12.838 -12.331 -10.514 1.00 0.00 C ATOM 16 CD PRO A 2 13.433 -12.235 -11.892 1.00 0.00 C ATOM 0 HA PRO A 2 10.893 -14.202 -12.442 1.00 0.00 H new ATOM 0 HB2 PRO A 2 11.000 -13.206 -9.850 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.185 -14.368 -10.413 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.421 -11.374 -10.202 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.597 -12.603 -9.780 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.750 -11.218 -12.122 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.310 -12.873 -11.996 1.00 0.00 H new ATOM 24 N LEU A 3 8.864 -12.927 -12.495 1.00 0.00 N ATOM 25 CA LEU A 3 7.602 -12.197 -12.559 1.00 0.00 C ATOM 26 C LEU A 3 6.726 -12.528 -11.351 1.00 0.00 C ATOM 27 O LEU A 3 7.012 -13.467 -10.608 1.00 0.00 O ATOM 28 CB LEU A 3 6.860 -12.541 -13.854 1.00 0.00 C ATOM 29 CG LEU A 3 5.860 -11.484 -14.332 1.00 0.00 C ATOM 30 CD1 LEU A 3 6.089 -11.154 -15.800 1.00 0.00 C ATOM 31 CD2 LEU A 3 4.432 -11.961 -14.109 1.00 0.00 C ATOM 0 H LEU A 3 8.811 -13.887 -12.837 1.00 0.00 H new ATOM 0 HA LEU A 3 7.821 -11.129 -12.546 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.595 -12.706 -14.642 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.329 -13.482 -13.711 1.00 0.00 H new ATOM 0 HG LEU A 3 6.016 -10.577 -13.748 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.369 -10.401 -16.120 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.100 -10.769 -15.933 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.963 -12.055 -16.400 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.735 -11.197 -14.454 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.265 -12.883 -14.666 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.271 -12.145 -13.047 1.00 0.00 H new ATOM 43 N GLY A 4 5.662 -11.756 -11.159 1.00 0.00 N ATOM 44 CA GLY A 4 4.768 -11.992 -10.037 1.00 0.00 C ATOM 45 C GLY A 4 3.657 -12.964 -10.383 1.00 0.00 C ATOM 46 O GLY A 4 3.472 -13.312 -11.549 1.00 0.00 O ATOM 0 H GLY A 4 5.402 -10.972 -11.758 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.340 -12.382 -9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.333 -11.045 -9.716 1.00 0.00 H new ATOM 50 N SER A 5 2.912 -13.409 -9.375 1.00 0.00 N ATOM 51 CA SER A 5 1.820 -14.349 -9.606 1.00 0.00 C ATOM 52 C SER A 5 0.477 -13.624 -9.713 1.00 0.00 C ATOM 53 O SER A 5 -0.240 -13.792 -10.699 1.00 0.00 O ATOM 54 CB SER A 5 1.771 -15.410 -8.503 1.00 0.00 C ATOM 55 OG SER A 5 0.958 -16.505 -8.890 1.00 0.00 O ATOM 0 H SER A 5 3.042 -13.137 -8.400 1.00 0.00 H new ATOM 0 HA SER A 5 2.010 -14.848 -10.556 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.780 -15.760 -8.285 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.381 -14.969 -7.586 1.00 0.00 H new ATOM 0 HG SER A 5 0.943 -17.171 -8.171 1.00 0.00 H new ATOM 61 N PRO A 6 0.111 -12.806 -8.709 1.00 0.00 N ATOM 62 CA PRO A 6 -1.159 -12.068 -8.726 1.00 0.00 C ATOM 63 C PRO A 6 -1.287 -11.168 -9.953 1.00 0.00 C ATOM 64 O PRO A 6 -0.369 -10.415 -10.282 1.00 0.00 O ATOM 65 CB PRO A 6 -1.109 -11.225 -7.447 1.00 0.00 C ATOM 66 CG PRO A 6 -0.134 -11.926 -6.566 1.00 0.00 C ATOM 67 CD PRO A 6 0.889 -12.528 -7.487 1.00 0.00 C ATOM 0 HA PRO A 6 -2.016 -12.740 -8.771 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.789 -10.205 -7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.091 -11.160 -6.978 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.330 -11.231 -5.866 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.627 -12.696 -5.972 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.712 -11.841 -7.680 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.323 -13.436 -7.069 1.00 0.00 H new ATOM 75 N LEU A 7 -2.431 -11.254 -10.627 1.00 0.00 N ATOM 76 CA LEU A 7 -2.682 -10.447 -11.818 1.00 0.00 C ATOM 77 C LEU A 7 -3.644 -9.305 -11.510 1.00 0.00 C ATOM 78 O LEU A 7 -4.710 -9.518 -10.938 1.00 0.00 O ATOM 79 CB LEU A 7 -3.252 -11.321 -12.938 1.00 0.00 C ATOM 80 CG LEU A 7 -2.343 -11.483 -14.158 1.00 0.00 C ATOM 81 CD1 LEU A 7 -2.255 -10.176 -14.930 1.00 0.00 C ATOM 82 CD2 LEU A 7 -0.959 -11.950 -13.733 1.00 0.00 C ATOM 0 H LEU A 7 -3.199 -11.874 -10.369 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.734 -10.020 -12.144 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.470 -12.309 -12.532 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.200 -10.894 -13.264 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.773 -12.241 -14.813 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.605 -10.307 -15.795 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.250 -9.884 -15.265 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.847 -9.399 -14.284 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.326 -12.060 -14.613 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.518 -11.216 -13.059 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.040 -12.909 -13.222 1.00 0.00 H new ATOM 94 N THR A 8 -3.244 -8.090 -11.870 1.00 0.00 N ATOM 95 CA THR A 8 -4.048 -6.905 -11.597 1.00 0.00 C ATOM 96 C THR A 8 -5.053 -6.662 -12.710 1.00 0.00 C ATOM 97 O THR A 8 -6.200 -6.295 -12.447 1.00 0.00 O ATOM 98 CB THR A 8 -3.141 -5.679 -11.447 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.697 -5.231 -12.714 1.00 0.00 O ATOM 100 CG2 THR A 8 -1.912 -5.930 -10.596 1.00 0.00 C ATOM 0 H THR A 8 -2.366 -7.900 -12.353 1.00 0.00 H new ATOM 0 HA THR A 8 -4.593 -7.071 -10.668 1.00 0.00 H new ATOM 0 HB THR A 8 -3.756 -4.930 -10.949 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.121 -4.447 -12.600 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.319 -5.018 -10.535 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.218 -6.231 -9.594 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.314 -6.722 -11.046 1.00 0.00 H new ATOM 108 N ALA A 9 -4.641 -6.885 -13.951 1.00 0.00 N ATOM 109 CA ALA A 9 -5.543 -6.704 -15.075 1.00 0.00 C ATOM 110 C ALA A 9 -6.749 -7.616 -14.906 1.00 0.00 C ATOM 111 O ALA A 9 -7.869 -7.151 -14.683 1.00 0.00 O ATOM 112 CB ALA A 9 -4.828 -6.989 -16.391 1.00 0.00 C ATOM 0 H ALA A 9 -3.700 -7.188 -14.201 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.881 -5.668 -15.100 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.522 -6.848 -17.220 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.985 -6.307 -16.502 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.465 -8.017 -16.393 1.00 0.00 H new ATOM 118 N SER A 10 -6.521 -8.917 -15.035 1.00 0.00 N ATOM 119 CA SER A 10 -7.592 -9.897 -14.920 1.00 0.00 C ATOM 120 C SER A 10 -8.317 -9.804 -13.578 1.00 0.00 C ATOM 121 O SER A 10 -9.482 -10.194 -13.476 1.00 0.00 O ATOM 122 CB SER A 10 -7.034 -11.309 -15.103 1.00 0.00 C ATOM 123 OG SER A 10 -6.348 -11.431 -16.337 1.00 0.00 O ATOM 0 H SER A 10 -5.602 -9.318 -15.220 1.00 0.00 H new ATOM 0 HA SER A 10 -8.315 -9.678 -15.705 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.357 -11.545 -14.282 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.848 -12.033 -15.063 1.00 0.00 H new ATOM 0 HG SER A 10 -6.000 -12.342 -16.429 1.00 0.00 H new ATOM 129 N MET A 11 -7.646 -9.284 -12.550 1.00 0.00 N ATOM 130 CA MET A 11 -8.274 -9.167 -11.244 1.00 0.00 C ATOM 131 C MET A 11 -9.466 -8.223 -11.325 1.00 0.00 C ATOM 132 O MET A 11 -10.516 -8.474 -10.734 1.00 0.00 O ATOM 133 CB MET A 11 -7.237 -8.703 -10.209 1.00 0.00 C ATOM 134 CG MET A 11 -7.541 -7.383 -9.522 1.00 0.00 C ATOM 135 SD MET A 11 -8.644 -7.577 -8.113 1.00 0.00 S ATOM 136 CE MET A 11 -7.519 -8.291 -6.915 1.00 0.00 C ATOM 0 H MET A 11 -6.685 -8.944 -12.598 1.00 0.00 H new ATOM 0 HA MET A 11 -8.648 -10.139 -10.923 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.141 -9.475 -9.446 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.269 -8.621 -10.703 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.609 -6.927 -9.189 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.992 -6.698 -10.241 1.00 0.00 H new ATOM 0 HE1 MET A 11 -7.600 -7.750 -5.972 1.00 0.00 H new ATOM 0 HE2 MET A 11 -7.775 -9.338 -6.755 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.497 -8.220 -7.288 1.00 0.00 H new ATOM 146 N LEU A 12 -9.294 -7.145 -12.070 1.00 0.00 N ATOM 147 CA LEU A 12 -10.359 -6.170 -12.242 1.00 0.00 C ATOM 148 C LEU A 12 -11.574 -6.820 -12.889 1.00 0.00 C ATOM 149 O LEU A 12 -12.677 -6.774 -12.345 1.00 0.00 O ATOM 150 CB LEU A 12 -9.875 -4.980 -13.078 1.00 0.00 C ATOM 151 CG LEU A 12 -10.183 -3.605 -12.480 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.553 -3.123 -12.933 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.112 -3.659 -10.962 1.00 0.00 C ATOM 0 H LEU A 12 -8.430 -6.922 -12.564 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.648 -5.799 -11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.797 -5.067 -13.217 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.330 -5.040 -14.067 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.434 -2.897 -12.835 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.756 -2.144 -12.499 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.571 -3.049 -14.020 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.314 -3.831 -12.605 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.333 -2.674 -10.552 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.840 -4.379 -10.589 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.111 -3.963 -10.655 1.00 0.00 H new ATOM 165 N ALA A 13 -11.360 -7.447 -14.041 1.00 0.00 N ATOM 166 CA ALA A 13 -12.439 -8.135 -14.745 1.00 0.00 C ATOM 167 C ALA A 13 -12.857 -9.412 -14.005 1.00 0.00 C ATOM 168 O ALA A 13 -13.696 -10.173 -14.486 1.00 0.00 O ATOM 169 CB ALA A 13 -12.018 -8.460 -16.164 1.00 0.00 C ATOM 0 H ALA A 13 -10.454 -7.494 -14.506 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.301 -7.468 -14.777 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.832 -8.973 -16.677 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.780 -7.537 -16.693 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.139 -9.104 -16.144 1.00 0.00 H new ATOM 175 N SER A 14 -12.277 -9.621 -12.824 1.00 0.00 N ATOM 176 CA SER A 14 -12.597 -10.784 -12.001 1.00 0.00 C ATOM 177 C SER A 14 -13.549 -10.418 -10.862 1.00 0.00 C ATOM 178 O SER A 14 -13.788 -11.228 -9.965 1.00 0.00 O ATOM 179 CB SER A 14 -11.320 -11.398 -11.422 1.00 0.00 C ATOM 180 OG SER A 14 -11.206 -12.766 -11.775 1.00 0.00 O ATOM 0 H SER A 14 -11.581 -8.997 -12.416 1.00 0.00 H new ATOM 0 HA SER A 14 -13.091 -11.513 -12.643 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.451 -10.851 -11.788 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.325 -11.298 -10.337 1.00 0.00 H new ATOM 0 HG SER A 14 -10.381 -13.134 -11.395 1.00 0.00 H new ATOM 186 N ALA A 15 -14.090 -9.200 -10.892 1.00 0.00 N ATOM 187 CA ALA A 15 -15.009 -8.753 -9.850 1.00 0.00 C ATOM 188 C ALA A 15 -16.248 -8.080 -10.448 1.00 0.00 C ATOM 189 O ALA A 15 -16.167 -7.428 -11.488 1.00 0.00 O ATOM 190 CB ALA A 15 -14.290 -7.811 -8.900 1.00 0.00 C ATOM 0 H ALA A 15 -13.908 -8.511 -11.622 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.350 -9.627 -9.295 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.980 -7.480 -8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.449 -8.330 -8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.924 -6.946 -9.453 1.00 0.00 H new ATOM 196 N PRO A 16 -17.420 -8.249 -9.799 1.00 0.00 N ATOM 197 CA PRO A 16 -18.690 -7.675 -10.262 1.00 0.00 C ATOM 198 C PRO A 16 -18.563 -6.225 -10.735 1.00 0.00 C ATOM 199 O PRO A 16 -17.492 -5.624 -10.657 1.00 0.00 O ATOM 200 CB PRO A 16 -19.612 -7.755 -9.034 1.00 0.00 C ATOM 201 CG PRO A 16 -18.826 -8.420 -7.944 1.00 0.00 C ATOM 202 CD PRO A 16 -17.604 -9.032 -8.572 1.00 0.00 C ATOM 0 HA PRO A 16 -19.065 -8.219 -11.129 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.934 -6.760 -8.727 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.513 -8.324 -9.263 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.542 -7.696 -7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.426 -9.184 -7.451 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.737 -8.959 -7.916 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.752 -10.090 -8.789 1.00 0.00 H new ATOM 210 N PRO A 17 -19.671 -5.644 -11.239 1.00 0.00 N ATOM 211 CA PRO A 17 -19.690 -4.261 -11.734 1.00 0.00 C ATOM 212 C PRO A 17 -19.057 -3.274 -10.753 1.00 0.00 C ATOM 213 O PRO A 17 -17.904 -2.887 -10.924 1.00 0.00 O ATOM 214 CB PRO A 17 -21.181 -3.972 -11.934 1.00 0.00 C ATOM 215 CG PRO A 17 -21.795 -5.308 -12.174 1.00 0.00 C ATOM 216 CD PRO A 17 -20.991 -6.293 -11.367 1.00 0.00 C ATOM 0 HA PRO A 17 -19.103 -4.146 -12.645 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.612 -3.490 -11.057 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.345 -3.303 -12.779 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.841 -5.316 -11.868 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.771 -5.562 -13.234 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.443 -6.476 -10.392 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.916 -7.257 -11.870 1.00 0.00 H new ATOM 224 N GLN A 18 -19.810 -2.860 -9.732 1.00 0.00 N ATOM 225 CA GLN A 18 -19.296 -1.907 -8.744 1.00 0.00 C ATOM 226 C GLN A 18 -18.030 -2.430 -8.080 1.00 0.00 C ATOM 227 O GLN A 18 -17.274 -1.664 -7.479 1.00 0.00 O ATOM 228 CB GLN A 18 -20.349 -1.588 -7.677 1.00 0.00 C ATOM 229 CG GLN A 18 -21.783 -1.684 -8.175 1.00 0.00 C ATOM 230 CD GLN A 18 -22.773 -1.015 -7.243 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.645 0.167 -6.925 1.00 0.00 O ATOM 232 NE2 GLN A 18 -23.768 -1.772 -6.801 1.00 0.00 N ATOM 0 H GLN A 18 -20.769 -3.166 -9.567 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.055 -0.989 -9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -20.220 -2.272 -6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -20.174 -0.581 -7.298 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -21.852 -1.225 -9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -22.053 -2.734 -8.292 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.834 -2.748 -7.091 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -24.467 -1.379 -6.171 1.00 0.00 H new ATOM 241 N GLU A 19 -17.785 -3.730 -8.199 1.00 0.00 N ATOM 242 CA GLU A 19 -16.596 -4.337 -7.622 1.00 0.00 C ATOM 243 C GLU A 19 -15.409 -4.186 -8.575 1.00 0.00 C ATOM 244 O GLU A 19 -14.547 -5.060 -8.650 1.00 0.00 O ATOM 245 CB GLU A 19 -16.849 -5.821 -7.337 1.00 0.00 C ATOM 246 CG GLU A 19 -17.200 -6.120 -5.888 1.00 0.00 C ATOM 247 CD GLU A 19 -16.376 -7.254 -5.302 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.477 -7.762 -6.004 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.632 -7.632 -4.138 1.00 0.00 O ATOM 0 H GLU A 19 -18.396 -4.383 -8.691 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.364 -3.829 -6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.660 -6.170 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.960 -6.390 -7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.049 -5.221 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.258 -6.374 -5.821 1.00 0.00 H new ATOM 256 N GLN A 20 -15.350 -3.051 -9.267 1.00 0.00 N ATOM 257 CA GLN A 20 -14.238 -2.772 -10.168 1.00 0.00 C ATOM 258 C GLN A 20 -12.973 -2.497 -9.363 1.00 0.00 C ATOM 259 O GLN A 20 -12.179 -3.393 -9.085 1.00 0.00 O ATOM 260 CB GLN A 20 -14.530 -1.598 -11.128 1.00 0.00 C ATOM 261 CG GLN A 20 -15.759 -0.772 -10.782 1.00 0.00 C ATOM 262 CD GLN A 20 -16.150 0.176 -11.896 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.328 0.314 -12.224 1.00 0.00 O ATOM 264 NE2 GLN A 20 -15.160 0.834 -12.487 1.00 0.00 N ATOM 0 H GLN A 20 -16.055 -2.315 -9.221 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.094 -3.657 -10.788 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.662 -0.939 -11.146 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.650 -1.995 -12.136 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.593 -1.440 -10.567 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.566 -0.201 -9.874 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.198 0.688 -12.182 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.362 1.485 -13.246 1.00 0.00 H new ATOM 273 N LYS A 21 -12.816 -1.233 -8.987 1.00 0.00 N ATOM 274 CA LYS A 21 -11.673 -0.772 -8.206 1.00 0.00 C ATOM 275 C LYS A 21 -11.831 -1.104 -6.730 1.00 0.00 C ATOM 276 O LYS A 21 -11.134 -0.543 -5.886 1.00 0.00 O ATOM 277 CB LYS A 21 -11.509 0.733 -8.390 1.00 0.00 C ATOM 278 CG LYS A 21 -11.878 1.197 -9.789 1.00 0.00 C ATOM 279 CD LYS A 21 -10.656 1.649 -10.563 1.00 0.00 C ATOM 280 CE LYS A 21 -10.053 0.492 -11.335 1.00 0.00 C ATOM 281 NZ LYS A 21 -9.365 -0.467 -10.433 1.00 0.00 N ATOM 0 H LYS A 21 -13.481 -0.495 -9.216 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.783 -1.289 -8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.132 1.254 -7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.476 1.010 -8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.370 0.385 -10.325 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.594 2.017 -9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.930 2.448 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.916 2.060 -9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.837 -0.026 -11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.344 0.874 -12.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.796 -1.129 -10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.744 0.054 -9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.073 -0.999 -9.887 1.00 0.00 H new ATOM 295 N GLN A 22 -12.743 -2.015 -6.421 1.00 0.00 N ATOM 296 CA GLN A 22 -12.984 -2.405 -5.033 1.00 0.00 C ATOM 297 C GLN A 22 -11.779 -3.105 -4.430 1.00 0.00 C ATOM 298 O GLN A 22 -11.228 -2.650 -3.428 1.00 0.00 O ATOM 299 CB GLN A 22 -14.217 -3.302 -4.918 1.00 0.00 C ATOM 300 CG GLN A 22 -15.197 -2.831 -3.853 1.00 0.00 C ATOM 301 CD GLN A 22 -16.209 -3.887 -3.461 1.00 0.00 C ATOM 302 OE1 GLN A 22 -17.408 -3.793 -4.026 1.00 0.00 O flip ATOM 303 NE2 GLN A 22 -15.921 -4.777 -2.663 1.00 0.00 N flip ATOM 0 H GLN A 22 -13.326 -2.497 -7.105 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.163 -1.488 -4.472 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.725 -3.337 -5.882 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.900 -4.319 -4.688 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.641 -2.524 -2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.725 -1.950 -4.219 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.988 -4.812 -2.253 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -16.615 -5.481 -2.411 1.00 0.00 H new ATOM 312 N MET A 23 -11.369 -4.219 -5.027 1.00 0.00 N ATOM 313 CA MET A 23 -10.235 -4.961 -4.518 1.00 0.00 C ATOM 314 C MET A 23 -8.986 -4.083 -4.489 1.00 0.00 C ATOM 315 O MET A 23 -8.760 -3.362 -3.521 1.00 0.00 O ATOM 316 CB MET A 23 -10.001 -6.221 -5.362 1.00 0.00 C ATOM 317 CG MET A 23 -11.231 -7.106 -5.491 1.00 0.00 C ATOM 318 SD MET A 23 -11.161 -8.553 -4.415 1.00 0.00 S ATOM 319 CE MET A 23 -10.292 -9.716 -5.465 1.00 0.00 C ATOM 0 H MET A 23 -11.805 -4.621 -5.857 1.00 0.00 H new ATOM 0 HA MET A 23 -10.452 -5.270 -3.495 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.671 -5.925 -6.358 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.192 -6.801 -4.917 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.120 -6.523 -5.252 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.332 -7.432 -6.526 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.810 -10.675 -5.452 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.263 -9.334 -6.485 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.274 -9.848 -5.098 1.00 0.00 H new ATOM 329 N LEU A 24 -8.180 -4.153 -5.542 1.00 0.00 N ATOM 330 CA LEU A 24 -6.948 -3.375 -5.631 1.00 0.00 C ATOM 331 C LEU A 24 -7.181 -1.863 -5.661 1.00 0.00 C ATOM 332 O LEU A 24 -6.726 -1.193 -6.590 1.00 0.00 O ATOM 333 CB LEU A 24 -6.141 -3.799 -6.860 1.00 0.00 C ATOM 334 CG LEU A 24 -6.922 -4.063 -8.145 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.780 -2.868 -8.526 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.950 -4.402 -9.266 1.00 0.00 C ATOM 0 H LEU A 24 -8.359 -4.745 -6.353 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.388 -3.588 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.404 -3.023 -7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.589 -4.704 -6.607 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.592 -4.906 -7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.323 -3.088 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.490 -2.660 -7.726 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.143 -1.997 -8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.506 -4.591 -10.185 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.267 -3.567 -9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.380 -5.292 -8.997 1.00 0.00 H new ATOM 348 N GLY A 25 -7.864 -1.315 -4.650 1.00 0.00 N ATOM 349 CA GLY A 25 -8.104 0.119 -4.617 1.00 0.00 C ATOM 350 C GLY A 25 -8.308 0.714 -5.999 1.00 0.00 C ATOM 351 O GLY A 25 -8.812 0.043 -6.900 1.00 0.00 O ATOM 0 H GLY A 25 -8.250 -1.835 -3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.984 0.321 -4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.260 0.613 -4.135 1.00 0.00 H new ATOM 355 N GLU A 26 -7.897 1.961 -6.175 1.00 0.00 N ATOM 356 CA GLU A 26 -8.017 2.617 -7.469 1.00 0.00 C ATOM 357 C GLU A 26 -6.977 2.043 -8.436 1.00 0.00 C ATOM 358 O GLU A 26 -7.270 1.153 -9.232 1.00 0.00 O ATOM 359 CB GLU A 26 -7.847 4.145 -7.359 1.00 0.00 C ATOM 360 CG GLU A 26 -7.359 4.641 -6.003 1.00 0.00 C ATOM 361 CD GLU A 26 -8.445 4.640 -4.943 1.00 0.00 C ATOM 362 OE1 GLU A 26 -8.805 3.547 -4.458 1.00 0.00 O ATOM 363 OE2 GLU A 26 -8.936 5.735 -4.600 1.00 0.00 O ATOM 0 H GLU A 26 -7.480 2.536 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.021 2.426 -7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.144 4.474 -8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.803 4.619 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.533 4.013 -5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.967 5.652 -6.112 1.00 0.00 H new ATOM 370 N ARG A 27 -5.760 2.578 -8.346 1.00 0.00 N ATOM 371 CA ARG A 27 -4.646 2.151 -9.197 1.00 0.00 C ATOM 372 C ARG A 27 -3.344 2.050 -8.401 1.00 0.00 C ATOM 373 O ARG A 27 -2.261 1.947 -8.980 1.00 0.00 O ATOM 374 CB ARG A 27 -4.452 3.147 -10.344 1.00 0.00 C ATOM 375 CG ARG A 27 -4.234 2.485 -11.692 1.00 0.00 C ATOM 376 CD ARG A 27 -5.357 1.517 -12.027 1.00 0.00 C ATOM 377 NE ARG A 27 -5.905 1.760 -13.360 1.00 0.00 N ATOM 378 CZ ARG A 27 -5.741 0.940 -14.394 1.00 0.00 C ATOM 379 NH1 ARG A 27 -5.027 -0.173 -14.270 1.00 0.00 N ATOM 380 NH2 ARG A 27 -6.288 1.239 -15.565 1.00 0.00 N ATOM 0 H ARG A 27 -5.517 3.316 -7.685 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.891 1.166 -9.593 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.327 3.795 -10.404 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.597 3.785 -10.119 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.168 3.249 -12.467 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.283 1.953 -11.687 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.985 0.494 -11.968 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.150 1.610 -11.285 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.447 2.612 -13.506 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.598 -0.406 -13.375 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.908 -0.794 -15.070 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.832 2.095 -15.670 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.164 0.613 -16.360 1.00 0.00 H new ATOM 394 N LEU A 28 -3.451 2.092 -7.078 1.00 0.00 N ATOM 395 CA LEU A 28 -2.281 2.035 -6.203 1.00 0.00 C ATOM 396 C LEU A 28 -1.657 0.645 -6.126 1.00 0.00 C ATOM 397 O LEU A 28 -0.445 0.496 -6.276 1.00 0.00 O ATOM 398 CB LEU A 28 -2.677 2.492 -4.807 1.00 0.00 C ATOM 399 CG LEU A 28 -1.940 3.729 -4.313 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.872 4.597 -3.487 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.703 3.334 -3.524 1.00 0.00 C ATOM 0 H LEU A 28 -4.340 2.166 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.527 2.696 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.748 2.694 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.499 1.675 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.610 4.312 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.335 5.479 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.719 4.906 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.233 4.030 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.189 4.231 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.997 2.731 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.034 2.756 -4.161 1.00 0.00 H new ATOM 413 N PHE A 29 -2.482 -0.366 -5.887 1.00 0.00 N ATOM 414 CA PHE A 29 -2.004 -1.743 -5.787 1.00 0.00 C ATOM 415 C PHE A 29 -1.038 -2.072 -6.924 1.00 0.00 C ATOM 416 O PHE A 29 0.044 -2.599 -6.690 1.00 0.00 O ATOM 417 CB PHE A 29 -3.193 -2.693 -5.825 1.00 0.00 C ATOM 418 CG PHE A 29 -3.029 -3.979 -5.061 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.241 -4.080 -3.920 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.706 -5.099 -5.493 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.150 -5.288 -3.244 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.622 -6.293 -4.824 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.845 -6.391 -3.695 1.00 0.00 C ATOM 0 H PHE A 29 -3.488 -0.260 -5.758 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.469 -1.859 -4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.065 -2.169 -5.434 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.407 -2.936 -6.866 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.700 -3.218 -3.560 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.318 -5.035 -6.381 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.533 -5.365 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.165 -7.154 -5.184 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.779 -7.328 -3.163 1.00 0.00 H new ATOM 433 N PRO A 30 -1.415 -1.755 -8.175 1.00 0.00 N ATOM 434 CA PRO A 30 -0.568 -2.014 -9.341 1.00 0.00 C ATOM 435 C PRO A 30 0.779 -1.308 -9.238 1.00 0.00 C ATOM 436 O PRO A 30 1.820 -1.882 -9.553 1.00 0.00 O ATOM 437 CB PRO A 30 -1.365 -1.446 -10.519 1.00 0.00 C ATOM 438 CG PRO A 30 -2.765 -1.304 -10.030 1.00 0.00 C ATOM 439 CD PRO A 30 -2.684 -1.112 -8.544 1.00 0.00 C ATOM 0 HA PRO A 30 -0.342 -3.076 -9.440 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.962 -0.484 -10.836 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.317 -2.112 -11.381 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.256 -0.454 -10.504 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.352 -2.189 -10.275 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.689 -0.055 -8.276 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.529 -1.574 -8.034 1.00 0.00 H new ATOM 447 N LEU A 31 0.746 -0.055 -8.798 1.00 0.00 N ATOM 448 CA LEU A 31 1.969 0.736 -8.660 1.00 0.00 C ATOM 449 C LEU A 31 2.810 0.243 -7.484 1.00 0.00 C ATOM 450 O LEU A 31 4.014 -0.031 -7.615 1.00 0.00 O ATOM 451 CB LEU A 31 1.642 2.223 -8.471 1.00 0.00 C ATOM 452 CG LEU A 31 0.370 2.717 -9.167 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.018 4.098 -8.669 1.00 0.00 C ATOM 454 CD2 LEU A 31 0.551 2.713 -10.677 1.00 0.00 C ATOM 0 H LEU A 31 -0.108 0.435 -8.531 1.00 0.00 H new ATOM 0 HA LEU A 31 2.543 0.614 -9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.551 2.423 -7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.485 2.811 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.442 2.033 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.924 4.427 -9.178 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.199 4.060 -7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.790 4.800 -8.876 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.363 3.067 -11.154 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.378 3.370 -10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.767 1.700 -11.015 1.00 0.00 H new ATOM 466 N ILE A 32 2.172 0.104 -6.335 1.00 0.00 N ATOM 467 CA ILE A 32 2.878 -0.367 -5.165 1.00 0.00 C ATOM 468 C ILE A 32 3.294 -1.809 -5.360 1.00 0.00 C ATOM 469 O ILE A 32 4.412 -2.178 -5.024 1.00 0.00 O ATOM 470 CB ILE A 32 2.059 -0.224 -3.877 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.977 -0.472 -2.673 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.862 -1.165 -3.887 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.149 -1.930 -2.304 1.00 0.00 C ATOM 0 H ILE A 32 1.183 0.308 -6.191 1.00 0.00 H new ATOM 0 HA ILE A 32 3.760 0.263 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 32 1.658 0.787 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.958 -0.046 -2.886 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.578 0.063 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.297 -1.045 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.222 -0.930 -4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.210 -2.195 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.813 -2.012 -1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.178 -2.359 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.580 -2.470 -3.147 1.00 0.00 H new ATOM 485 N GLN A 33 2.407 -2.619 -5.936 1.00 0.00 N ATOM 486 CA GLN A 33 2.737 -4.011 -6.199 1.00 0.00 C ATOM 487 C GLN A 33 4.139 -4.090 -6.804 1.00 0.00 C ATOM 488 O GLN A 33 4.940 -4.957 -6.455 1.00 0.00 O ATOM 489 CB GLN A 33 1.732 -4.655 -7.157 1.00 0.00 C ATOM 490 CG GLN A 33 2.072 -6.099 -7.487 1.00 0.00 C ATOM 491 CD GLN A 33 1.134 -6.711 -8.512 1.00 0.00 C ATOM 492 OE1 GLN A 33 -0.002 -7.065 -8.194 1.00 0.00 O ATOM 493 NE2 GLN A 33 1.606 -6.846 -9.748 1.00 0.00 N ATOM 0 H GLN A 33 1.470 -2.338 -6.224 1.00 0.00 H new ATOM 0 HA GLN A 33 2.699 -4.555 -5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.737 -4.613 -6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.694 -4.076 -8.080 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.094 -6.149 -7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.039 -6.692 -6.573 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.553 -6.539 -9.968 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.020 -7.256 -10.476 1.00 0.00 H new ATOM 502 N ALA A 34 4.412 -3.156 -7.716 1.00 0.00 N ATOM 503 CA ALA A 34 5.703 -3.075 -8.389 1.00 0.00 C ATOM 504 C ALA A 34 6.842 -2.926 -7.392 1.00 0.00 C ATOM 505 O ALA A 34 7.944 -3.434 -7.602 1.00 0.00 O ATOM 506 CB ALA A 34 5.709 -1.914 -9.371 1.00 0.00 C ATOM 0 H ALA A 34 3.747 -2.439 -8.006 1.00 0.00 H new ATOM 0 HA ALA A 34 5.856 -4.007 -8.934 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.678 -1.863 -9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.927 -2.063 -10.115 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.527 -0.983 -8.835 1.00 0.00 H new ATOM 512 N MET A 35 6.564 -2.218 -6.311 1.00 0.00 N ATOM 513 CA MET A 35 7.571 -1.986 -5.269 1.00 0.00 C ATOM 514 C MET A 35 7.399 -2.952 -4.094 1.00 0.00 C ATOM 515 O MET A 35 8.338 -3.647 -3.707 1.00 0.00 O ATOM 516 CB MET A 35 7.493 -0.544 -4.759 1.00 0.00 C ATOM 517 CG MET A 35 7.349 0.493 -5.861 1.00 0.00 C ATOM 518 SD MET A 35 8.936 1.157 -6.400 1.00 0.00 S ATOM 519 CE MET A 35 8.822 0.917 -8.171 1.00 0.00 C ATOM 0 H MET A 35 5.656 -1.792 -6.125 1.00 0.00 H new ATOM 0 HA MET A 35 8.548 -2.161 -5.718 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.647 -0.455 -4.078 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.391 -0.324 -4.182 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.839 0.044 -6.713 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.719 1.309 -5.507 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.733 1.280 -8.647 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.698 -0.144 -8.387 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.965 1.469 -8.559 1.00 0.00 H new ATOM 529 N HIS A 36 6.192 -3.010 -3.549 1.00 0.00 N ATOM 530 CA HIS A 36 5.881 -3.910 -2.440 1.00 0.00 C ATOM 531 C HIS A 36 6.700 -3.619 -1.185 1.00 0.00 C ATOM 532 O HIS A 36 7.174 -4.545 -0.527 1.00 0.00 O ATOM 533 CB HIS A 36 6.100 -5.360 -2.862 1.00 0.00 C ATOM 534 CG HIS A 36 4.866 -6.012 -3.393 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.617 -5.523 -3.572 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.825 -7.325 -3.809 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.853 -6.541 -4.089 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.605 -7.617 -4.224 1.00 0.00 N flip ATOM 0 H HIS A 36 5.404 -2.441 -3.858 1.00 0.00 H new ATOM 0 HA HIS A 36 4.834 -3.741 -2.190 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.879 -5.396 -3.624 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.464 -5.929 -2.007 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.660 -8.009 -3.798 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.806 -6.472 -4.344 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.297 -8.519 -4.587 1.00 0.00 H new ATOM 546 N PRO A 37 6.866 -2.345 -0.799 1.00 0.00 N ATOM 547 CA PRO A 37 7.611 -2.014 0.409 1.00 0.00 C ATOM 548 C PRO A 37 6.987 -2.689 1.627 1.00 0.00 C ATOM 549 O PRO A 37 7.519 -3.668 2.148 1.00 0.00 O ATOM 550 CB PRO A 37 7.505 -0.485 0.512 1.00 0.00 C ATOM 551 CG PRO A 37 6.378 -0.106 -0.388 1.00 0.00 C ATOM 552 CD PRO A 37 6.335 -1.149 -1.468 1.00 0.00 C ATOM 0 HA PRO A 37 8.646 -2.355 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.311 -0.173 1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.433 -0.005 0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.436 -0.074 0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.535 0.886 -0.811 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.321 -1.309 -1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.943 -0.865 -2.327 1.00 0.00 H new ATOM 560 N THR A 38 5.866 -2.144 2.089 1.00 0.00 N ATOM 561 CA THR A 38 5.178 -2.671 3.262 1.00 0.00 C ATOM 562 C THR A 38 4.130 -3.707 2.878 1.00 0.00 C ATOM 563 O THR A 38 4.266 -4.891 3.184 1.00 0.00 O ATOM 564 CB THR A 38 4.507 -1.534 4.036 1.00 0.00 C ATOM 565 OG1 THR A 38 4.074 -0.514 3.152 1.00 0.00 O ATOM 566 CG2 THR A 38 5.409 -0.894 5.068 1.00 0.00 C ATOM 0 H THR A 38 5.413 -1.334 1.666 1.00 0.00 H new ATOM 0 HA THR A 38 5.926 -3.155 3.891 1.00 0.00 H new ATOM 0 HB THR A 38 3.665 -1.995 4.552 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.590 0.173 3.657 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.869 -0.097 5.579 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.720 -1.644 5.795 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.288 -0.479 4.575 1.00 0.00 H new ATOM 574 N LEU A 39 3.074 -3.245 2.221 1.00 0.00 N ATOM 575 CA LEU A 39 1.985 -4.121 1.809 1.00 0.00 C ATOM 576 C LEU A 39 1.121 -3.439 0.757 1.00 0.00 C ATOM 577 O LEU A 39 0.391 -2.497 1.060 1.00 0.00 O ATOM 578 CB LEU A 39 1.135 -4.492 3.024 1.00 0.00 C ATOM 579 CG LEU A 39 0.490 -5.877 2.981 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.542 -6.958 2.784 1.00 0.00 C ATOM 581 CD2 LEU A 39 -0.305 -6.130 4.255 1.00 0.00 C ATOM 0 H LEU A 39 2.948 -2.267 1.962 1.00 0.00 H new ATOM 0 HA LEU A 39 2.408 -5.027 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.760 -4.430 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.347 -3.747 3.135 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.193 -5.911 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.059 -7.935 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.068 -6.787 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.254 -6.928 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.759 -7.120 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.361 -6.075 5.116 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.087 -5.377 4.352 1.00 0.00 H new ATOM 593 N ALA A 40 1.198 -3.923 -0.477 1.00 0.00 N ATOM 594 CA ALA A 40 0.419 -3.367 -1.582 1.00 0.00 C ATOM 595 C ALA A 40 -1.049 -3.149 -1.210 1.00 0.00 C ATOM 596 O ALA A 40 -1.596 -2.071 -1.449 1.00 0.00 O ATOM 597 CB ALA A 40 0.569 -4.255 -2.812 1.00 0.00 C ATOM 0 H ALA A 40 1.797 -4.706 -0.741 1.00 0.00 H new ATOM 0 HA ALA A 40 0.815 -2.378 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.013 -3.839 -3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.619 -4.305 -3.099 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.208 -5.258 -2.583 1.00 0.00 H new ATOM 603 N GLY A 41 -1.692 -4.162 -0.650 1.00 0.00 N ATOM 604 CA GLY A 41 -3.093 -4.032 -0.290 1.00 0.00 C ATOM 605 C GLY A 41 -3.363 -2.885 0.672 1.00 0.00 C ATOM 606 O GLY A 41 -4.066 -1.933 0.334 1.00 0.00 O ATOM 0 H GLY A 41 -1.274 -5.068 -0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.681 -3.884 -1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.433 -4.964 0.162 1.00 0.00 H new ATOM 610 N LYS A 42 -2.827 -2.997 1.878 1.00 0.00 N ATOM 611 CA LYS A 42 -3.028 -1.986 2.916 1.00 0.00 C ATOM 612 C LYS A 42 -2.424 -0.626 2.539 1.00 0.00 C ATOM 613 O LYS A 42 -3.018 0.425 2.805 1.00 0.00 O ATOM 614 CB LYS A 42 -2.422 -2.479 4.230 1.00 0.00 C ATOM 615 CG LYS A 42 -3.382 -2.423 5.406 1.00 0.00 C ATOM 616 CD LYS A 42 -3.138 -1.193 6.260 1.00 0.00 C ATOM 617 CE LYS A 42 -3.759 -1.335 7.640 1.00 0.00 C ATOM 618 NZ LYS A 42 -4.798 -0.299 7.888 1.00 0.00 N ATOM 0 H LYS A 42 -2.245 -3.783 2.167 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.102 -1.838 3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.081 -3.506 4.100 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.542 -1.878 4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.409 -2.416 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.267 -3.320 6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.065 -1.026 6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.553 -0.316 5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.203 -2.326 7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.980 -1.258 8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.028 -0.273 8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.439 0.631 7.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.654 -0.529 7.345 1.00 0.00 H new ATOM 632 N ILE A 43 -1.251 -0.643 1.914 1.00 0.00 N ATOM 633 CA ILE A 43 -0.578 0.593 1.509 1.00 0.00 C ATOM 634 C ILE A 43 -1.497 1.462 0.658 1.00 0.00 C ATOM 635 O ILE A 43 -1.523 2.686 0.789 1.00 0.00 O ATOM 636 CB ILE A 43 0.715 0.288 0.716 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.666 1.483 0.724 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.404 -0.124 -0.717 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.121 1.083 0.841 1.00 0.00 C ATOM 0 H ILE A 43 -0.745 -1.496 1.676 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.318 1.133 2.419 1.00 0.00 H new ATOM 0 HB ILE A 43 1.207 -0.547 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.526 2.057 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.408 2.140 1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.334 -0.331 -1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.217 -1.020 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.128 0.683 -1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.745 1.977 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.274 0.534 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.393 0.450 -0.004 1.00 0.00 H new ATOM 651 N THR A 44 -2.237 0.805 -0.224 1.00 0.00 N ATOM 652 CA THR A 44 -3.156 1.483 -1.125 1.00 0.00 C ATOM 653 C THR A 44 -4.090 2.411 -0.362 1.00 0.00 C ATOM 654 O THR A 44 -4.283 3.561 -0.748 1.00 0.00 O ATOM 655 CB THR A 44 -3.967 0.456 -1.915 1.00 0.00 C ATOM 656 OG1 THR A 44 -3.118 -0.388 -2.674 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.959 1.083 -2.868 1.00 0.00 C ATOM 0 H THR A 44 -2.217 -0.209 -0.334 1.00 0.00 H new ATOM 0 HA THR A 44 -2.569 2.088 -1.816 1.00 0.00 H new ATOM 0 HB THR A 44 -4.515 -0.113 -1.164 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.905 -1.191 -2.154 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.501 0.299 -3.397 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.664 1.697 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.428 1.706 -3.588 1.00 0.00 H new ATOM 665 N GLY A 45 -4.664 1.909 0.723 1.00 0.00 N ATOM 666 CA GLY A 45 -5.569 2.717 1.509 1.00 0.00 C ATOM 667 C GLY A 45 -4.928 3.997 1.984 1.00 0.00 C ATOM 668 O GLY A 45 -5.563 5.050 2.013 1.00 0.00 O ATOM 0 H GLY A 45 -4.519 0.961 1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.451 2.954 0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.910 2.143 2.370 1.00 0.00 H new ATOM 672 N MET A 46 -3.663 3.907 2.354 1.00 0.00 N ATOM 673 CA MET A 46 -2.939 5.068 2.835 1.00 0.00 C ATOM 674 C MET A 46 -2.695 6.066 1.714 1.00 0.00 C ATOM 675 O MET A 46 -3.127 7.215 1.798 1.00 0.00 O ATOM 676 CB MET A 46 -1.625 4.643 3.479 1.00 0.00 C ATOM 677 CG MET A 46 -1.782 4.299 4.949 1.00 0.00 C ATOM 678 SD MET A 46 -2.733 2.793 5.210 1.00 0.00 S ATOM 679 CE MET A 46 -1.527 1.794 6.077 1.00 0.00 C ATOM 0 H MET A 46 -3.118 3.045 2.331 1.00 0.00 H new ATOM 0 HA MET A 46 -3.551 5.562 3.590 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.227 3.779 2.948 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.896 5.446 3.373 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.796 4.184 5.399 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.272 5.127 5.462 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.010 1.281 6.909 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.105 1.058 5.393 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.731 2.434 6.458 1.00 0.00 H new ATOM 689 N LEU A 47 -2.000 5.639 0.666 1.00 0.00 N ATOM 690 CA LEU A 47 -1.714 6.521 -0.444 1.00 0.00 C ATOM 691 C LEU A 47 -3.012 7.051 -1.037 1.00 0.00 C ATOM 692 O LEU A 47 -3.015 8.088 -1.699 1.00 0.00 O ATOM 693 CB LEU A 47 -0.935 5.769 -1.515 1.00 0.00 C ATOM 694 CG LEU A 47 0.506 5.393 -1.187 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.473 6.454 -1.704 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.719 5.151 0.299 1.00 0.00 C ATOM 0 H LEU A 47 -1.629 4.694 0.568 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.117 7.358 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.479 4.854 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.929 6.377 -2.419 1.00 0.00 H new ATOM 0 HG LEU A 47 0.712 4.451 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.495 6.165 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.371 6.544 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.245 7.412 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.761 4.887 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.473 6.056 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.075 4.336 0.631 1.00 0.00 H new ATOM 708 N LEU A 48 -4.112 6.318 -0.834 1.00 0.00 N ATOM 709 CA LEU A 48 -5.421 6.705 -1.385 1.00 0.00 C ATOM 710 C LEU A 48 -5.900 8.078 -0.890 1.00 0.00 C ATOM 711 O LEU A 48 -7.098 8.357 -0.897 1.00 0.00 O ATOM 712 CB LEU A 48 -6.472 5.635 -1.043 1.00 0.00 C ATOM 713 CG LEU A 48 -7.159 4.981 -2.251 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.227 3.989 -2.926 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.450 4.287 -1.832 1.00 0.00 C ATOM 0 H LEU A 48 -4.125 5.453 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.297 6.781 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.993 4.855 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.237 6.089 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.406 5.768 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.733 3.537 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.331 4.507 -3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.948 3.211 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.918 3.832 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.226 3.515 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.131 5.018 -1.395 1.00 0.00 H new ATOM 727 N GLU A 49 -4.969 8.935 -0.481 1.00 0.00 N ATOM 728 CA GLU A 49 -5.307 10.274 -0.010 1.00 0.00 C ATOM 729 C GLU A 49 -5.667 11.190 -1.176 1.00 0.00 C ATOM 730 O GLU A 49 -6.156 12.302 -0.975 1.00 0.00 O ATOM 731 CB GLU A 49 -4.126 10.878 0.756 1.00 0.00 C ATOM 732 CG GLU A 49 -2.792 10.716 0.038 1.00 0.00 C ATOM 733 CD GLU A 49 -2.121 12.039 -0.277 1.00 0.00 C ATOM 734 OE1 GLU A 49 -2.532 13.068 0.299 1.00 0.00 O ATOM 735 OE2 GLU A 49 -1.181 12.045 -1.101 1.00 0.00 O ATOM 0 H GLU A 49 -3.971 8.725 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.170 10.187 0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.314 11.939 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.061 10.409 1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.125 10.115 0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.950 10.166 -0.890 1.00 0.00 H new ATOM 742 N ILE A 50 -5.412 10.722 -2.398 1.00 0.00 N ATOM 743 CA ILE A 50 -5.694 11.503 -3.594 1.00 0.00 C ATOM 744 C ILE A 50 -6.889 10.916 -4.362 1.00 0.00 C ATOM 745 O ILE A 50 -7.352 9.821 -4.048 1.00 0.00 O ATOM 746 CB ILE A 50 -4.426 11.584 -4.485 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.474 12.789 -5.428 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.225 10.301 -5.273 1.00 0.00 C ATOM 749 CD1 ILE A 50 -4.907 14.076 -4.757 1.00 0.00 C ATOM 0 H ILE A 50 -5.010 9.803 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.967 12.516 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.574 11.715 -3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.487 12.934 -5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.158 12.570 -6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.329 10.388 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.112 9.464 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.089 10.129 -5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.916 14.883 -5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.907 13.951 -4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.210 14.321 -3.956 1.00 0.00 H new ATOM 761 N ASP A 51 -7.371 11.639 -5.374 1.00 0.00 N ATOM 762 CA ASP A 51 -8.492 11.181 -6.197 1.00 0.00 C ATOM 763 C ASP A 51 -8.081 10.064 -7.155 1.00 0.00 C ATOM 764 O ASP A 51 -6.937 10.010 -7.603 1.00 0.00 O ATOM 765 CB ASP A 51 -9.071 12.348 -6.999 1.00 0.00 C ATOM 766 CG ASP A 51 -8.005 13.124 -7.746 1.00 0.00 C ATOM 767 OD1 ASP A 51 -6.816 12.778 -7.609 1.00 0.00 O ATOM 768 OD2 ASP A 51 -8.361 14.076 -8.471 1.00 0.00 O ATOM 0 H ASP A 51 -7.000 12.550 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.247 10.784 -5.519 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.804 11.968 -7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.600 13.021 -6.325 1.00 0.00 H new ATOM 773 N ASN A 52 -9.031 9.190 -7.493 1.00 0.00 N ATOM 774 CA ASN A 52 -8.764 8.100 -8.431 1.00 0.00 C ATOM 775 C ASN A 52 -8.083 8.623 -9.694 1.00 0.00 C ATOM 776 O ASN A 52 -7.378 7.887 -10.381 1.00 0.00 O ATOM 777 CB ASN A 52 -10.064 7.403 -8.834 1.00 0.00 C ATOM 778 CG ASN A 52 -9.819 6.023 -9.423 1.00 0.00 C ATOM 779 OD1 ASN A 52 -8.676 5.639 -9.669 1.00 0.00 O ATOM 780 ND2 ASN A 52 -10.892 5.270 -9.656 1.00 0.00 N ATOM 0 H ASN A 52 -9.985 9.216 -7.134 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.106 7.392 -7.927 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.712 7.314 -7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.593 8.018 -9.562 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.784 4.337 -10.053 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.822 5.626 -9.437 1.00 0.00 H new ATOM 787 N SER A 53 -8.325 9.894 -10.005 1.00 0.00 N ATOM 788 CA SER A 53 -7.764 10.512 -11.200 1.00 0.00 C ATOM 789 C SER A 53 -6.258 10.725 -11.089 1.00 0.00 C ATOM 790 O SER A 53 -5.544 10.652 -12.089 1.00 0.00 O ATOM 791 CB SER A 53 -8.456 11.847 -11.476 1.00 0.00 C ATOM 792 OG SER A 53 -8.503 12.117 -12.866 1.00 0.00 O ATOM 0 H SER A 53 -8.907 10.516 -9.444 1.00 0.00 H new ATOM 0 HA SER A 53 -7.939 9.826 -12.029 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.468 11.827 -11.072 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.924 12.649 -10.964 1.00 0.00 H new ATOM 0 HG SER A 53 -8.951 12.975 -13.018 1.00 0.00 H new ATOM 798 N GLU A 54 -5.769 10.984 -9.881 1.00 0.00 N ATOM 799 CA GLU A 54 -4.337 11.197 -9.689 1.00 0.00 C ATOM 800 C GLU A 54 -3.586 9.873 -9.751 1.00 0.00 C ATOM 801 O GLU A 54 -2.493 9.795 -10.312 1.00 0.00 O ATOM 802 CB GLU A 54 -4.059 11.900 -8.359 1.00 0.00 C ATOM 803 CG GLU A 54 -2.668 12.509 -8.283 1.00 0.00 C ATOM 804 CD GLU A 54 -2.657 13.989 -8.615 1.00 0.00 C ATOM 805 OE1 GLU A 54 -3.698 14.504 -9.076 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.607 14.634 -8.415 1.00 0.00 O ATOM 0 H GLU A 54 -6.331 11.051 -9.032 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.983 11.839 -10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.801 12.684 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.181 11.185 -7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.266 12.363 -7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.007 11.982 -8.971 1.00 0.00 H new ATOM 813 N LEU A 55 -4.183 8.834 -9.180 1.00 0.00 N ATOM 814 CA LEU A 55 -3.576 7.510 -9.181 1.00 0.00 C ATOM 815 C LEU A 55 -3.348 7.023 -10.606 1.00 0.00 C ATOM 816 O LEU A 55 -2.396 6.289 -10.879 1.00 0.00 O ATOM 817 CB LEU A 55 -4.468 6.529 -8.427 1.00 0.00 C ATOM 818 CG LEU A 55 -4.235 6.492 -6.917 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.354 7.217 -6.185 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.109 5.059 -6.427 1.00 0.00 C ATOM 0 H LEU A 55 -5.087 8.883 -8.710 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.609 7.571 -8.681 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.510 6.787 -8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.309 5.529 -8.831 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.298 7.006 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.170 7.180 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.389 8.256 -6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.306 6.735 -6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.944 5.056 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.025 4.515 -6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.267 4.577 -6.925 1.00 0.00 H new ATOM 832 N LEU A 56 -4.220 7.449 -11.512 1.00 0.00 N ATOM 833 CA LEU A 56 -4.107 7.072 -12.914 1.00 0.00 C ATOM 834 C LEU A 56 -2.873 7.714 -13.539 1.00 0.00 C ATOM 835 O LEU A 56 -2.120 7.062 -14.262 1.00 0.00 O ATOM 836 CB LEU A 56 -5.367 7.480 -13.680 1.00 0.00 C ATOM 837 CG LEU A 56 -6.384 6.358 -13.894 1.00 0.00 C ATOM 838 CD1 LEU A 56 -6.763 5.715 -12.569 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.620 6.892 -14.602 1.00 0.00 C ATOM 0 H LEU A 56 -5.012 8.055 -11.300 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.002 5.989 -12.974 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.854 8.294 -13.142 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.072 7.873 -14.653 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.926 5.595 -14.523 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.487 4.920 -12.745 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.872 5.298 -12.099 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.201 6.466 -11.912 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.335 6.082 -14.747 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.077 7.675 -13.996 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.335 7.303 -15.571 1.00 0.00 H new ATOM 851 N HIS A 57 -2.671 8.998 -13.248 1.00 0.00 N ATOM 852 CA HIS A 57 -1.524 9.730 -13.774 1.00 0.00 C ATOM 853 C HIS A 57 -0.227 9.042 -13.371 1.00 0.00 C ATOM 854 O HIS A 57 0.734 8.994 -14.139 1.00 0.00 O ATOM 855 CB HIS A 57 -1.523 11.172 -13.261 1.00 0.00 C ATOM 856 CG HIS A 57 -2.584 12.033 -13.874 1.00 0.00 C ATOM 857 ND1 HIS A 57 -3.732 12.529 -13.356 1.00 0.00 N flip ATOM 858 CD2 HIS A 57 -2.527 12.489 -15.173 1.00 0.00 C flip ATOM 859 CE1 HIS A 57 -4.338 13.270 -14.340 1.00 0.00 C flip ATOM 860 NE2 HIS A 57 -3.591 13.229 -15.429 1.00 0.00 N flip ATOM 0 H HIS A 57 -3.287 9.551 -12.652 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.599 9.743 -14.861 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.656 11.163 -12.179 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.548 11.617 -13.459 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.734 12.274 -15.874 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.273 13.800 -14.240 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.800 13.689 -16.315 1.00 0.00 H new ATOM 868 N MET A 58 -0.206 8.514 -12.155 1.00 0.00 N ATOM 869 CA MET A 58 0.972 7.831 -11.646 1.00 0.00 C ATOM 870 C MET A 58 1.220 6.537 -12.424 1.00 0.00 C ATOM 871 O MET A 58 2.355 6.220 -12.777 1.00 0.00 O ATOM 872 CB MET A 58 0.804 7.560 -10.146 1.00 0.00 C ATOM 873 CG MET A 58 0.842 8.833 -9.310 1.00 0.00 C ATOM 874 SD MET A 58 -0.492 8.925 -8.101 1.00 0.00 S ATOM 875 CE MET A 58 -0.266 7.375 -7.233 1.00 0.00 C ATOM 0 H MET A 58 -0.991 8.546 -11.504 1.00 0.00 H new ATOM 0 HA MET A 58 1.846 8.468 -11.784 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.143 7.048 -9.978 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.594 6.887 -9.812 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.799 8.892 -8.791 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.785 9.697 -9.972 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.562 7.495 -6.191 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.881 6.604 -7.698 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.782 7.081 -7.281 1.00 0.00 H new ATOM 885 N LEU A 59 0.148 5.798 -12.691 1.00 0.00 N ATOM 886 CA LEU A 59 0.252 4.540 -13.431 1.00 0.00 C ATOM 887 C LEU A 59 0.817 4.773 -14.832 1.00 0.00 C ATOM 888 O LEU A 59 1.510 3.914 -15.380 1.00 0.00 O ATOM 889 CB LEU A 59 -1.118 3.854 -13.519 1.00 0.00 C ATOM 890 CG LEU A 59 -1.310 2.908 -14.714 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.965 1.607 -14.274 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.138 3.585 -15.798 1.00 0.00 C ATOM 0 H LEU A 59 -0.800 6.045 -12.408 1.00 0.00 H new ATOM 0 HA LEU A 59 0.938 3.888 -12.891 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.281 3.289 -12.601 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.888 4.624 -13.561 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.329 2.671 -15.125 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.091 0.953 -15.137 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.334 1.114 -13.534 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.940 1.821 -13.835 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.265 2.902 -16.638 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.115 3.852 -15.396 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.627 4.486 -16.137 1.00 0.00 H new ATOM 904 N GLU A 60 0.527 5.934 -15.407 1.00 0.00 N ATOM 905 CA GLU A 60 1.017 6.261 -16.743 1.00 0.00 C ATOM 906 C GLU A 60 2.296 7.096 -16.675 1.00 0.00 C ATOM 907 O GLU A 60 2.950 7.327 -17.692 1.00 0.00 O ATOM 908 CB GLU A 60 -0.056 7.006 -17.544 1.00 0.00 C ATOM 909 CG GLU A 60 -0.546 8.279 -16.873 1.00 0.00 C ATOM 910 CD GLU A 60 -0.532 9.482 -17.800 1.00 0.00 C ATOM 911 OE1 GLU A 60 -0.049 9.349 -18.944 1.00 0.00 O ATOM 912 OE2 GLU A 60 -1.005 10.558 -17.379 1.00 0.00 O ATOM 0 H GLU A 60 -0.041 6.662 -14.973 1.00 0.00 H new ATOM 0 HA GLU A 60 1.248 5.324 -17.249 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.344 7.255 -18.527 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.904 6.341 -17.704 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.560 8.122 -16.506 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.079 8.489 -16.005 1.00 0.00 H new ATOM 919 N SER A 61 2.651 7.545 -15.472 1.00 0.00 N ATOM 920 CA SER A 61 3.853 8.349 -15.284 1.00 0.00 C ATOM 921 C SER A 61 4.633 7.882 -14.056 1.00 0.00 C ATOM 922 O SER A 61 4.399 8.359 -12.945 1.00 0.00 O ATOM 923 CB SER A 61 3.486 9.826 -15.141 1.00 0.00 C ATOM 924 OG SER A 61 4.262 10.630 -16.012 1.00 0.00 O ATOM 0 H SER A 61 2.124 7.365 -14.617 1.00 0.00 H new ATOM 0 HA SER A 61 4.486 8.224 -16.162 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.427 9.964 -15.360 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.642 10.145 -14.110 1.00 0.00 H new ATOM 0 HG SER A 61 4.008 11.570 -15.903 1.00 0.00 H new ATOM 930 N PRO A 62 5.574 6.940 -14.240 1.00 0.00 N ATOM 931 CA PRO A 62 6.388 6.411 -13.139 1.00 0.00 C ATOM 932 C PRO A 62 7.047 7.516 -12.321 1.00 0.00 C ATOM 933 O PRO A 62 7.229 7.385 -11.111 1.00 0.00 O ATOM 934 CB PRO A 62 7.450 5.574 -13.853 1.00 0.00 C ATOM 935 CG PRO A 62 6.819 5.177 -15.142 1.00 0.00 C ATOM 936 CD PRO A 62 5.917 6.316 -15.532 1.00 0.00 C ATOM 0 HA PRO A 62 5.788 5.847 -12.425 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.361 6.149 -14.019 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.728 4.701 -13.263 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.574 4.998 -15.907 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.253 4.252 -15.031 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.421 7.018 -16.196 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.029 5.963 -16.056 1.00 0.00 H new ATOM 944 N GLU A 63 7.408 8.603 -12.995 1.00 0.00 N ATOM 945 CA GLU A 63 8.055 9.735 -12.341 1.00 0.00 C ATOM 946 C GLU A 63 7.217 10.257 -11.173 1.00 0.00 C ATOM 947 O GLU A 63 7.701 10.358 -10.046 1.00 0.00 O ATOM 948 CB GLU A 63 8.305 10.860 -13.349 1.00 0.00 C ATOM 949 CG GLU A 63 7.099 11.196 -14.211 1.00 0.00 C ATOM 950 CD GLU A 63 7.486 11.824 -15.535 1.00 0.00 C ATOM 951 OE1 GLU A 63 8.120 12.901 -15.517 1.00 0.00 O ATOM 952 OE2 GLU A 63 7.160 11.240 -16.588 1.00 0.00 O ATOM 0 H GLU A 63 7.263 8.724 -13.997 1.00 0.00 H new ATOM 0 HA GLU A 63 9.010 9.389 -11.946 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.614 11.755 -12.810 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.134 10.576 -13.997 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.526 10.288 -14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.446 11.878 -13.666 1.00 0.00 H new ATOM 959 N SER A 64 5.959 10.580 -11.449 1.00 0.00 N ATOM 960 CA SER A 64 5.055 11.083 -10.422 1.00 0.00 C ATOM 961 C SER A 64 4.594 9.940 -9.535 1.00 0.00 C ATOM 962 O SER A 64 4.301 10.124 -8.356 1.00 0.00 O ATOM 963 CB SER A 64 3.855 11.779 -11.067 1.00 0.00 C ATOM 964 OG SER A 64 4.267 12.648 -12.110 1.00 0.00 O ATOM 0 H SER A 64 5.542 10.502 -12.376 1.00 0.00 H new ATOM 0 HA SER A 64 5.585 11.811 -9.808 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.167 11.032 -11.463 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.310 12.345 -10.312 1.00 0.00 H new ATOM 0 HG SER A 64 3.481 13.079 -12.506 1.00 0.00 H new ATOM 970 N LEU A 65 4.527 8.757 -10.127 1.00 0.00 N ATOM 971 CA LEU A 65 4.102 7.569 -9.419 1.00 0.00 C ATOM 972 C LEU A 65 4.967 7.350 -8.194 1.00 0.00 C ATOM 973 O LEU A 65 4.477 7.368 -7.066 1.00 0.00 O ATOM 974 CB LEU A 65 4.211 6.364 -10.352 1.00 0.00 C ATOM 975 CG LEU A 65 3.415 5.132 -9.933 1.00 0.00 C ATOM 976 CD1 LEU A 65 3.517 4.054 -10.997 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.909 4.614 -8.592 1.00 0.00 C ATOM 0 H LEU A 65 4.765 8.599 -11.106 1.00 0.00 H new ATOM 0 HA LEU A 65 3.068 7.693 -9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.882 6.666 -11.346 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.261 6.085 -10.435 1.00 0.00 H new ATOM 0 HG LEU A 65 2.367 5.411 -9.826 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.945 3.180 -10.686 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.118 4.433 -11.938 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.562 3.774 -11.132 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.331 3.735 -8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.963 4.346 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.788 5.389 -7.835 1.00 0.00 H new ATOM 989 N ARG A 66 6.252 7.134 -8.421 1.00 0.00 N ATOM 990 CA ARG A 66 7.182 6.896 -7.325 1.00 0.00 C ATOM 991 C ARG A 66 7.172 8.047 -6.335 1.00 0.00 C ATOM 992 O ARG A 66 7.359 7.849 -5.137 1.00 0.00 O ATOM 993 CB ARG A 66 8.594 6.686 -7.868 1.00 0.00 C ATOM 994 CG ARG A 66 9.553 6.076 -6.858 1.00 0.00 C ATOM 995 CD ARG A 66 10.977 6.057 -7.388 1.00 0.00 C ATOM 996 NE ARG A 66 11.067 5.391 -8.683 1.00 0.00 N ATOM 997 CZ ARG A 66 10.937 6.014 -9.854 1.00 0.00 C ATOM 998 NH1 ARG A 66 10.724 7.325 -9.899 1.00 0.00 N ATOM 999 NH2 ARG A 66 11.026 5.324 -10.982 1.00 0.00 N ATOM 0 H ARG A 66 6.675 7.118 -9.349 1.00 0.00 H new ATOM 0 HA ARG A 66 6.861 5.995 -6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.544 6.040 -8.745 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.992 7.645 -8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.516 6.645 -5.929 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.237 5.060 -6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.344 7.079 -7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.624 5.549 -6.673 1.00 0.00 H new ATOM 0 HE ARG A 66 11.240 4.386 -8.693 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.659 7.861 -9.034 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.626 7.795 -10.799 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.194 4.318 -10.953 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.927 5.799 -11.879 1.00 0.00 H new ATOM 1013 N SER A 67 6.947 9.250 -6.838 1.00 0.00 N ATOM 1014 CA SER A 67 6.914 10.431 -5.984 1.00 0.00 C ATOM 1015 C SER A 67 5.970 10.234 -4.798 1.00 0.00 C ATOM 1016 O SER A 67 6.305 10.577 -3.666 1.00 0.00 O ATOM 1017 CB SER A 67 6.477 11.652 -6.790 1.00 0.00 C ATOM 1018 OG SER A 67 7.415 11.963 -7.809 1.00 0.00 O ATOM 0 H SER A 67 6.785 9.436 -7.828 1.00 0.00 H new ATOM 0 HA SER A 67 7.921 10.590 -5.598 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.501 11.464 -7.237 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.364 12.508 -6.124 1.00 0.00 H new ATOM 0 HG SER A 67 7.371 11.282 -8.513 1.00 0.00 H new ATOM 1024 N LYS A 68 4.789 9.691 -5.067 1.00 0.00 N ATOM 1025 CA LYS A 68 3.798 9.468 -4.018 1.00 0.00 C ATOM 1026 C LYS A 68 4.072 8.182 -3.249 1.00 0.00 C ATOM 1027 O LYS A 68 4.090 8.181 -2.019 1.00 0.00 O ATOM 1028 CB LYS A 68 2.385 9.426 -4.609 1.00 0.00 C ATOM 1029 CG LYS A 68 2.170 10.377 -5.777 1.00 0.00 C ATOM 1030 CD LYS A 68 1.386 11.612 -5.356 1.00 0.00 C ATOM 1031 CE LYS A 68 0.298 11.953 -6.361 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.013 13.415 -6.394 1.00 0.00 N ATOM 0 H LYS A 68 4.494 9.398 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 68 3.872 10.303 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.171 8.409 -4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.667 9.664 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.135 10.679 -6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.636 9.860 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.938 11.443 -4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.066 12.458 -5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.602 11.620 -7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.613 11.411 -6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.506 13.648 -7.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.563 13.675 -5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.908 13.944 -6.372 1.00 0.00 H new ATOM 1046 N VAL A 69 4.294 7.091 -3.972 1.00 0.00 N ATOM 1047 CA VAL A 69 4.571 5.808 -3.342 1.00 0.00 C ATOM 1048 C VAL A 69 5.780 5.899 -2.423 1.00 0.00 C ATOM 1049 O VAL A 69 5.699 5.580 -1.238 1.00 0.00 O ATOM 1050 CB VAL A 69 4.829 4.711 -4.385 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.849 3.350 -3.714 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.783 4.767 -5.484 1.00 0.00 C ATOM 0 H VAL A 69 4.288 7.070 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 69 3.686 5.548 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 69 5.803 4.879 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.033 2.578 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.641 3.325 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.888 3.167 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.981 3.983 -6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.793 4.619 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.823 5.739 -5.975 1.00 0.00 H new ATOM 1062 N ASP A 70 6.898 6.343 -2.981 1.00 0.00 N ATOM 1063 CA ASP A 70 8.137 6.484 -2.221 1.00 0.00 C ATOM 1064 C ASP A 70 7.887 7.249 -0.928 1.00 0.00 C ATOM 1065 O ASP A 70 8.169 6.759 0.164 1.00 0.00 O ATOM 1066 CB ASP A 70 9.197 7.203 -3.061 1.00 0.00 C ATOM 1067 CG ASP A 70 10.600 6.712 -2.771 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.971 6.635 -1.582 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.332 6.406 -3.737 1.00 0.00 O ATOM 0 H ASP A 70 6.974 6.613 -3.962 1.00 0.00 H new ATOM 0 HA ASP A 70 8.502 5.488 -1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.977 7.059 -4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.144 8.274 -2.868 1.00 0.00 H new ATOM 1074 N GLU A 71 7.360 8.455 -1.063 1.00 0.00 N ATOM 1075 CA GLU A 71 7.069 9.302 0.089 1.00 0.00 C ATOM 1076 C GLU A 71 6.275 8.548 1.143 1.00 0.00 C ATOM 1077 O GLU A 71 6.652 8.517 2.313 1.00 0.00 O ATOM 1078 CB GLU A 71 6.305 10.535 -0.374 1.00 0.00 C ATOM 1079 CG GLU A 71 7.215 11.693 -0.752 1.00 0.00 C ATOM 1080 CD GLU A 71 8.197 11.338 -1.851 1.00 0.00 C ATOM 1081 OE1 GLU A 71 9.002 10.404 -1.648 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.164 11.996 -2.912 1.00 0.00 O ATOM 0 H GLU A 71 7.123 8.874 -1.962 1.00 0.00 H new ATOM 0 HA GLU A 71 8.011 9.607 0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.687 10.271 -1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.629 10.855 0.419 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.605 12.537 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.767 12.018 0.130 1.00 0.00 H new ATOM 1089 N ALA A 72 5.174 7.948 0.732 1.00 0.00 N ATOM 1090 CA ALA A 72 4.336 7.203 1.653 1.00 0.00 C ATOM 1091 C ALA A 72 5.119 6.130 2.396 1.00 0.00 C ATOM 1092 O ALA A 72 4.916 5.933 3.592 1.00 0.00 O ATOM 1093 CB ALA A 72 3.174 6.597 0.911 1.00 0.00 C ATOM 0 H ALA A 72 4.839 7.962 -0.231 1.00 0.00 H new ATOM 0 HA ALA A 72 3.960 7.899 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.549 6.039 1.608 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.585 7.389 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.547 5.924 0.139 1.00 0.00 H new ATOM 1099 N VAL A 73 6.017 5.434 1.697 1.00 0.00 N ATOM 1100 CA VAL A 73 6.808 4.392 2.349 1.00 0.00 C ATOM 1101 C VAL A 73 7.455 4.967 3.599 1.00 0.00 C ATOM 1102 O VAL A 73 7.621 4.278 4.599 1.00 0.00 O ATOM 1103 CB VAL A 73 7.891 3.774 1.426 1.00 0.00 C ATOM 1104 CG1 VAL A 73 7.376 3.628 0.002 1.00 0.00 C ATOM 1105 CG2 VAL A 73 9.182 4.586 1.454 1.00 0.00 C ATOM 0 H VAL A 73 6.211 5.568 0.705 1.00 0.00 H new ATOM 0 HA VAL A 73 6.126 3.581 2.605 1.00 0.00 H new ATOM 0 HB VAL A 73 8.118 2.780 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.155 3.193 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.501 2.978 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.103 4.608 -0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.917 4.123 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.980 5.602 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.572 4.614 2.471 1.00 0.00 H new ATOM 1115 N ALA A 74 7.799 6.248 3.532 1.00 0.00 N ATOM 1116 CA ALA A 74 8.404 6.941 4.652 1.00 0.00 C ATOM 1117 C ALA A 74 7.361 7.217 5.734 1.00 0.00 C ATOM 1118 O ALA A 74 7.483 6.744 6.864 1.00 0.00 O ATOM 1119 CB ALA A 74 9.045 8.236 4.175 1.00 0.00 C ATOM 0 H ALA A 74 7.666 6.828 2.704 1.00 0.00 H new ATOM 0 HA ALA A 74 9.180 6.309 5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.498 8.751 5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.813 8.011 3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.284 8.875 3.726 1.00 0.00 H new ATOM 1125 N VAL A 75 6.333 7.986 5.377 1.00 0.00 N ATOM 1126 CA VAL A 75 5.266 8.325 6.315 1.00 0.00 C ATOM 1127 C VAL A 75 4.539 7.079 6.821 1.00 0.00 C ATOM 1128 O VAL A 75 4.490 6.826 8.021 1.00 0.00 O ATOM 1129 CB VAL A 75 4.214 9.276 5.696 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.884 10.401 6.666 1.00 0.00 C ATOM 1131 CG2 VAL A 75 4.676 9.834 4.359 1.00 0.00 C ATOM 0 H VAL A 75 6.217 8.385 4.446 1.00 0.00 H new ATOM 0 HA VAL A 75 5.762 8.829 7.145 1.00 0.00 H new ATOM 0 HB VAL A 75 3.310 8.696 5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.143 11.062 6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.484 9.980 7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.789 10.967 6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.910 10.497 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.602 10.392 4.498 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.848 9.014 3.662 1.00 0.00 H new ATOM 1141 N LEU A 76 3.960 6.315 5.896 1.00 0.00 N ATOM 1142 CA LEU A 76 3.212 5.108 6.243 1.00 0.00 C ATOM 1143 C LEU A 76 4.012 4.194 7.160 1.00 0.00 C ATOM 1144 O LEU A 76 3.559 3.839 8.247 1.00 0.00 O ATOM 1145 CB LEU A 76 2.826 4.348 4.973 1.00 0.00 C ATOM 1146 CG LEU A 76 1.658 3.374 5.131 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.169 2.898 3.776 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.055 2.189 5.998 1.00 0.00 C ATOM 0 H LEU A 76 3.995 6.512 4.896 1.00 0.00 H new ATOM 0 HA LEU A 76 2.313 5.419 6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.574 5.071 4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.696 3.794 4.621 1.00 0.00 H new ATOM 0 HG LEU A 76 0.843 3.903 5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.338 2.206 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.837 3.754 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.981 2.392 3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.208 1.510 6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.890 1.663 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.352 2.544 6.985 1.00 0.00 H new ATOM 1160 N GLN A 77 5.194 3.802 6.708 1.00 0.00 N ATOM 1161 CA GLN A 77 6.038 2.910 7.497 1.00 0.00 C ATOM 1162 C GLN A 77 6.192 3.449 8.920 1.00 0.00 C ATOM 1163 O GLN A 77 6.274 2.687 9.883 1.00 0.00 O ATOM 1164 CB GLN A 77 7.422 2.755 6.868 1.00 0.00 C ATOM 1165 CG GLN A 77 7.568 1.504 6.024 1.00 0.00 C ATOM 1166 CD GLN A 77 8.737 0.641 6.458 1.00 0.00 C ATOM 1167 OE1 GLN A 77 8.784 0.167 7.593 1.00 0.00 O ATOM 1168 NE2 GLN A 77 9.687 0.435 5.556 1.00 0.00 N ATOM 0 H GLN A 77 5.589 4.082 5.810 1.00 0.00 H new ATOM 0 HA GLN A 77 5.553 1.934 7.522 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.630 3.627 6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.172 2.739 7.659 1.00 0.00 H new ATOM 0 HG2 GLN A 77 6.649 0.921 6.083 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.699 1.788 4.980 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.606 0.848 4.627 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.498 -0.136 5.791 1.00 0.00 H new ATOM 1177 N ALA A 78 6.224 4.775 9.032 1.00 0.00 N ATOM 1178 CA ALA A 78 6.362 5.444 10.323 1.00 0.00 C ATOM 1179 C ALA A 78 5.021 5.536 11.051 1.00 0.00 C ATOM 1180 O ALA A 78 4.924 5.227 12.238 1.00 0.00 O ATOM 1181 CB ALA A 78 6.959 6.831 10.131 1.00 0.00 C ATOM 0 H ALA A 78 6.156 5.411 8.238 1.00 0.00 H new ATOM 0 HA ALA A 78 7.034 4.849 10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.058 7.322 11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.941 6.743 9.667 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.306 7.423 9.489 1.00 0.00 H new ATOM 1187 N HIS A 79 3.992 5.971 10.327 1.00 0.00 N ATOM 1188 CA HIS A 79 2.655 6.117 10.892 1.00 0.00 C ATOM 1189 C HIS A 79 2.049 4.761 11.258 1.00 0.00 C ATOM 1190 O HIS A 79 0.992 4.700 11.886 1.00 0.00 O ATOM 1191 CB HIS A 79 1.743 6.857 9.911 1.00 0.00 C ATOM 1192 CG HIS A 79 1.656 8.329 10.169 1.00 0.00 C ATOM 1193 ND1 HIS A 79 2.514 9.335 9.874 1.00 0.00 N flip ATOM 1194 CD2 HIS A 79 0.585 8.919 10.806 1.00 0.00 C flip ATOM 1195 CE1 HIS A 79 1.949 10.500 10.333 1.00 0.00 C flip ATOM 1196 NE2 HIS A 79 0.786 10.222 10.891 1.00 0.00 N flip ATOM 0 H HIS A 79 4.061 6.229 9.343 1.00 0.00 H new ATOM 0 HA HIS A 79 2.743 6.701 11.808 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.107 6.695 8.896 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.743 6.428 9.963 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -0.284 8.397 11.178 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.386 11.484 10.251 1.00 0.00 H new ATOM 0 HE2 HIS A 79 0.151 10.898 11.315 1.00 0.00 H new ATOM 1204 N GLN A 80 2.720 3.677 10.870 1.00 0.00 N ATOM 1205 CA GLN A 80 2.237 2.332 11.173 1.00 0.00 C ATOM 1206 C GLN A 80 2.607 1.917 12.596 1.00 0.00 C ATOM 1207 O GLN A 80 2.560 0.735 12.938 1.00 0.00 O ATOM 1208 CB GLN A 80 2.810 1.326 10.171 1.00 0.00 C ATOM 1209 CG GLN A 80 1.768 0.746 9.229 1.00 0.00 C ATOM 1210 CD GLN A 80 1.764 -0.770 9.215 1.00 0.00 C ATOM 1211 OE1 GLN A 80 2.301 -1.412 10.117 1.00 0.00 O ATOM 1212 NE2 GLN A 80 1.155 -1.347 8.186 1.00 0.00 N ATOM 0 H GLN A 80 3.596 3.704 10.348 1.00 0.00 H new ATOM 0 HA GLN A 80 1.150 2.341 11.093 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.588 1.814 9.583 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.287 0.512 10.718 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.781 1.104 9.522 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.954 1.113 8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.724 -0.773 7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.119 -2.364 8.120 1.00 0.00 H new ATOM 1221 N ALA A 81 2.974 2.891 13.425 1.00 0.00 N ATOM 1222 CA ALA A 81 3.347 2.624 14.807 1.00 0.00 C ATOM 1223 C ALA A 81 2.579 3.525 15.770 1.00 0.00 C ATOM 1224 O ALA A 81 2.914 3.613 16.951 1.00 0.00 O ATOM 1225 CB ALA A 81 4.847 2.812 14.989 1.00 0.00 C ATOM 0 H ALA A 81 3.020 3.875 13.160 1.00 0.00 H new ATOM 0 HA ALA A 81 3.087 1.590 15.036 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.116 2.610 16.026 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.382 2.124 14.335 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.118 3.837 14.737 1.00 0.00 H new ATOM 1231 N LYS A 82 1.550 4.203 15.261 1.00 0.00 N ATOM 1232 CA LYS A 82 0.747 5.099 16.082 1.00 0.00 C ATOM 1233 C LYS A 82 -0.274 4.328 16.912 1.00 0.00 C ATOM 1234 O LYS A 82 -0.305 3.097 16.890 1.00 0.00 O ATOM 1235 CB LYS A 82 0.036 6.135 15.203 1.00 0.00 C ATOM 1236 CG LYS A 82 0.914 6.714 14.102 1.00 0.00 C ATOM 1237 CD LYS A 82 1.443 8.091 14.474 1.00 0.00 C ATOM 1238 CE LYS A 82 2.949 8.076 14.693 1.00 0.00 C ATOM 1239 NZ LYS A 82 3.310 7.589 16.053 1.00 0.00 N ATOM 0 H LYS A 82 1.256 4.147 14.286 1.00 0.00 H new ATOM 0 HA LYS A 82 1.420 5.614 16.768 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.841 5.673 14.750 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.323 6.948 15.834 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.750 6.042 13.911 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.342 6.781 13.177 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.197 8.801 13.684 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.947 8.439 15.380 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.418 7.439 13.943 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.346 9.081 14.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.280 7.887 16.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.651 7.988 16.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.252 6.551 16.077 1.00 0.00 H new ATOM 1253 N GLU A 83 -1.099 5.061 17.651 1.00 0.00 N ATOM 1254 CA GLU A 83 -2.117 4.454 18.503 1.00 0.00 C ATOM 1255 C GLU A 83 -3.341 4.035 17.691 1.00 0.00 C ATOM 1256 O GLU A 83 -3.709 4.694 16.718 1.00 0.00 O ATOM 1257 CB GLU A 83 -2.536 5.431 19.606 1.00 0.00 C ATOM 1258 CG GLU A 83 -3.266 6.664 19.091 1.00 0.00 C ATOM 1259 CD GLU A 83 -2.325 7.801 18.744 1.00 0.00 C ATOM 1260 OE1 GLU A 83 -1.132 7.717 19.103 1.00 0.00 O ATOM 1261 OE2 GLU A 83 -2.782 8.776 18.111 1.00 0.00 O ATOM 0 H GLU A 83 -1.083 6.081 17.678 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.685 3.562 18.956 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.179 4.910 20.315 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.649 5.748 20.154 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.845 6.395 18.208 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.975 7.003 19.846 1.00 0.00 H new ATOM 1268 N ALA A 84 -3.968 2.939 18.105 1.00 0.00 N ATOM 1269 CA ALA A 84 -5.155 2.433 17.426 1.00 0.00 C ATOM 1270 C ALA A 84 -6.356 3.345 17.666 1.00 0.00 C ATOM 1271 O ALA A 84 -7.326 3.322 16.909 1.00 0.00 O ATOM 1272 CB ALA A 84 -5.464 1.016 17.888 1.00 0.00 C ATOM 0 H ALA A 84 -3.673 2.384 18.908 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.952 2.418 16.355 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.353 0.651 17.373 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.619 0.366 17.659 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.642 1.015 18.963 1.00 0.00 H new ATOM 1278 N ALA A 85 -6.285 4.148 18.726 1.00 0.00 N ATOM 1279 CA ALA A 85 -7.364 5.069 19.063 1.00 0.00 C ATOM 1280 C ALA A 85 -7.544 6.120 17.973 1.00 0.00 C ATOM 1281 O ALA A 85 -6.793 7.093 17.906 1.00 0.00 O ATOM 1282 CB ALA A 85 -7.087 5.736 20.402 1.00 0.00 C ATOM 0 H ALA A 85 -5.491 4.178 19.365 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.289 4.498 19.139 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.900 6.421 20.642 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.012 4.975 21.179 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.150 6.290 20.346 1.00 0.00 H new ATOM 1288 N GLN A 86 -8.538 5.914 17.116 1.00 0.00 N ATOM 1289 CA GLN A 86 -8.811 6.841 16.025 1.00 0.00 C ATOM 1290 C GLN A 86 -9.737 7.967 16.473 1.00 0.00 C ATOM 1291 O GLN A 86 -9.569 9.117 16.072 1.00 0.00 O ATOM 1292 CB GLN A 86 -9.427 6.099 14.839 1.00 0.00 C ATOM 1293 CG GLN A 86 -9.426 6.907 13.552 1.00 0.00 C ATOM 1294 CD GLN A 86 -8.129 6.772 12.780 1.00 0.00 C ATOM 1295 OE1 GLN A 86 -7.146 7.452 13.071 1.00 0.00 O ATOM 1296 NE2 GLN A 86 -8.121 5.888 11.788 1.00 0.00 N ATOM 0 H GLN A 86 -9.168 5.113 17.156 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.863 7.283 15.718 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.879 5.171 14.677 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.453 5.824 15.085 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.255 6.582 12.923 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.597 7.958 13.787 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -8.960 5.345 11.582 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -7.276 5.752 11.233 1.00 0.00 H new ATOM 1305 N LYS A 87 -10.714 7.631 17.309 1.00 0.00 N ATOM 1306 CA LYS A 87 -11.659 8.623 17.808 1.00 0.00 C ATOM 1307 C LYS A 87 -11.217 9.174 19.163 1.00 0.00 C ATOM 1308 O LYS A 87 -11.752 10.175 19.640 1.00 0.00 O ATOM 1309 CB LYS A 87 -13.064 8.022 17.917 1.00 0.00 C ATOM 1310 CG LYS A 87 -13.199 6.961 18.997 1.00 0.00 C ATOM 1311 CD LYS A 87 -14.530 6.232 18.894 1.00 0.00 C ATOM 1312 CE LYS A 87 -15.571 6.840 19.821 1.00 0.00 C ATOM 1313 NZ LYS A 87 -16.385 7.882 19.136 1.00 0.00 N ATOM 0 H LYS A 87 -10.872 6.684 17.654 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.682 9.447 17.095 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.776 8.823 18.117 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.337 7.585 16.956 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.382 6.245 18.910 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.112 7.426 19.979 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.889 6.272 17.866 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.390 5.180 19.142 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.228 6.054 20.194 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.074 7.278 20.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.157 8.187 19.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.783 8.698 18.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.785 7.490 18.260 1.00 0.00 H new ATOM 1327 N ALA A 88 -10.237 8.515 19.781 1.00 0.00 N ATOM 1328 CA ALA A 88 -9.730 8.946 21.078 1.00 0.00 C ATOM 1329 C ALA A 88 -8.574 9.936 20.930 1.00 0.00 C ATOM 1330 O ALA A 88 -7.824 10.167 21.878 1.00 0.00 O ATOM 1331 CB ALA A 88 -9.293 7.740 21.900 1.00 0.00 C ATOM 0 H ALA A 88 -9.782 7.684 19.404 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.539 9.458 21.598 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.916 8.075 22.866 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -10.144 7.076 22.053 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.506 7.204 21.370 1.00 0.00 H new ATOM 1337 N VAL A 89 -8.436 10.522 19.742 1.00 0.00 N ATOM 1338 CA VAL A 89 -7.372 11.488 19.492 1.00 0.00 C ATOM 1339 C VAL A 89 -7.841 12.900 19.826 1.00 0.00 C ATOM 1340 O VAL A 89 -8.926 13.316 19.424 1.00 0.00 O ATOM 1341 CB VAL A 89 -6.899 11.450 18.024 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -5.569 12.171 17.875 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -6.791 10.014 17.528 1.00 0.00 C ATOM 0 H VAL A 89 -9.045 10.345 18.943 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.535 11.214 20.135 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.640 11.965 17.412 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.250 12.135 16.833 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.682 13.210 18.184 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.820 11.686 18.501 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.456 10.012 16.491 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.074 9.470 18.142 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.766 9.531 17.595 1.00 0.00 H new ATOM 1353 N ASN A 90 -7.018 13.630 20.570 1.00 0.00 N ATOM 1354 CA ASN A 90 -7.358 14.995 20.961 1.00 0.00 C ATOM 1355 C ASN A 90 -6.682 16.012 20.049 1.00 0.00 C ATOM 1356 O ASN A 90 -5.461 16.169 20.072 1.00 0.00 O ATOM 1357 CB ASN A 90 -6.965 15.257 22.418 1.00 0.00 C ATOM 1358 CG ASN A 90 -5.645 14.614 22.798 1.00 0.00 C ATOM 1359 OD1 ASN A 90 -4.577 15.197 22.605 1.00 0.00 O ATOM 1360 ND2 ASN A 90 -5.712 13.403 23.338 1.00 0.00 N ATOM 0 H ASN A 90 -6.115 13.303 20.914 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.438 15.107 20.863 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -6.901 16.332 22.584 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.749 14.880 23.074 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.857 12.918 23.611 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.618 12.957 23.480 1.00 0.00 H new ATOM 1367 N SER A 91 -7.489 16.706 19.254 1.00 0.00 N ATOM 1368 CA SER A 91 -6.977 17.716 18.338 1.00 0.00 C ATOM 1369 C SER A 91 -7.051 19.099 18.975 1.00 0.00 C ATOM 1370 O SER A 91 -8.130 19.569 19.336 1.00 0.00 O ATOM 1371 CB SER A 91 -7.769 17.697 17.028 1.00 0.00 C ATOM 1372 OG SER A 91 -6.943 17.327 15.938 1.00 0.00 O ATOM 0 H SER A 91 -8.502 16.587 19.226 1.00 0.00 H new ATOM 0 HA SER A 91 -5.934 17.487 18.121 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.600 16.997 17.112 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.199 18.682 16.845 1.00 0.00 H new ATOM 0 HG SER A 91 -7.473 17.321 15.114 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.899 19.747 19.111 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.838 21.077 19.707 1.00 0.00 C ATOM 1380 C ALA A 92 -6.147 22.167 18.680 1.00 0.00 C ATOM 1381 O ALA A 92 -5.934 23.352 18.940 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.473 21.309 20.334 1.00 0.00 C ATOM 0 H ALA A 92 -4.996 19.374 18.817 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.600 21.131 20.485 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.440 22.305 20.775 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.297 20.563 21.109 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.702 21.226 19.568 1.00 0.00 H new ATOM 1388 N THR A 93 -6.650 21.763 17.515 1.00 0.00 N ATOM 1389 CA THR A 93 -6.987 22.710 16.458 1.00 0.00 C ATOM 1390 C THR A 93 -8.499 22.801 16.269 1.00 0.00 C ATOM 1391 O THR A 93 -9.013 23.817 15.799 1.00 0.00 O ATOM 1392 CB THR A 93 -6.320 22.296 15.145 1.00 0.00 C ATOM 1393 OG1 THR A 93 -6.422 20.896 14.948 1.00 0.00 O ATOM 1394 CG2 THR A 93 -4.855 22.670 15.073 1.00 0.00 C ATOM 0 H THR A 93 -6.832 20.787 17.281 1.00 0.00 H new ATOM 0 HA THR A 93 -6.618 23.692 16.752 1.00 0.00 H new ATOM 0 HB THR A 93 -6.853 22.841 14.366 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.991 20.652 14.102 1.00 0.00 H new ATOM 0 HG21 THR A 93 -4.444 22.348 14.116 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.750 23.751 15.167 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.314 22.181 15.884 1.00 0.00 H new ATOM 1402 N GLY A 94 -9.207 21.736 16.635 1.00 0.00 N ATOM 1403 CA GLY A 94 -10.651 21.722 16.493 1.00 0.00 C ATOM 1404 C GLY A 94 -11.369 22.084 17.781 1.00 0.00 C ATOM 1405 O GLY A 94 -11.199 23.184 18.306 1.00 0.00 O ATOM 0 H GLY A 94 -8.806 20.884 17.027 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.942 22.422 15.710 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.971 20.731 16.169 1.00 0.00 H new ATOM 1409 N VAL A 95 -12.175 21.155 18.286 1.00 0.00 N ATOM 1410 CA VAL A 95 -12.924 21.382 19.517 1.00 0.00 C ATOM 1411 C VAL A 95 -12.157 20.862 20.734 1.00 0.00 C ATOM 1412 O VAL A 95 -11.723 19.712 20.754 1.00 0.00 O ATOM 1413 CB VAL A 95 -14.304 20.697 19.467 1.00 0.00 C ATOM 1414 CG1 VAL A 95 -15.154 21.116 20.658 1.00 0.00 C ATOM 1415 CG2 VAL A 95 -15.012 21.011 18.158 1.00 0.00 C ATOM 0 H VAL A 95 -12.326 20.239 17.863 1.00 0.00 H new ATOM 0 HA VAL A 95 -13.061 22.459 19.610 1.00 0.00 H new ATOM 0 HB VAL A 95 -14.154 19.619 19.520 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -16.124 20.622 20.604 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -14.652 20.830 21.582 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -15.296 22.197 20.642 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -15.984 20.518 18.143 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -15.150 22.089 18.068 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.410 20.652 17.323 1.00 0.00 H new ATOM 1425 N PRO A 96 -11.982 21.705 21.769 1.00 0.00 N ATOM 1426 CA PRO A 96 -11.264 21.314 22.988 1.00 0.00 C ATOM 1427 C PRO A 96 -12.031 20.279 23.804 1.00 0.00 C ATOM 1428 O PRO A 96 -12.688 20.613 24.790 1.00 0.00 O ATOM 1429 CB PRO A 96 -11.143 22.626 23.768 1.00 0.00 C ATOM 1430 CG PRO A 96 -12.274 23.463 23.281 1.00 0.00 C ATOM 1431 CD PRO A 96 -12.467 23.097 21.836 1.00 0.00 C ATOM 0 HA PRO A 96 -10.305 20.847 22.763 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.211 22.455 24.842 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.184 23.110 23.582 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.179 23.269 23.857 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.049 24.524 23.388 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.513 23.173 21.538 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.899 23.753 21.176 1.00 0.00 H new ATOM 1439 N THR A 97 -11.941 19.021 23.386 1.00 0.00 N ATOM 1440 CA THR A 97 -12.625 17.933 24.077 1.00 0.00 C ATOM 1441 C THR A 97 -11.675 17.207 25.023 1.00 0.00 C ATOM 1442 O THR A 97 -10.464 17.179 24.800 1.00 0.00 O ATOM 1443 CB THR A 97 -13.208 16.948 23.064 1.00 0.00 C ATOM 1444 OG1 THR A 97 -13.927 17.634 22.053 1.00 0.00 O ATOM 1445 CG2 THR A 97 -14.146 15.934 23.684 1.00 0.00 C ATOM 0 H THR A 97 -11.401 18.729 22.572 1.00 0.00 H new ATOM 0 HA THR A 97 -13.436 18.361 24.666 1.00 0.00 H new ATOM 0 HB THR A 97 -12.349 16.420 22.650 1.00 0.00 H new ATOM 0 HG1 THR A 97 -14.291 16.986 21.414 1.00 0.00 H new ATOM 0 HG21 THR A 97 -14.523 15.266 22.910 1.00 0.00 H new ATOM 0 HG22 THR A 97 -13.609 15.353 24.434 1.00 0.00 H new ATOM 0 HG23 THR A 97 -14.981 16.452 24.155 1.00 0.00 H new ATOM 1453 N VAL A 98 -12.230 16.621 26.079 1.00 0.00 N ATOM 1454 CA VAL A 98 -11.430 15.891 27.057 1.00 0.00 C ATOM 1455 C VAL A 98 -11.959 14.476 27.254 1.00 0.00 C ATOM 1456 O VAL A 98 -12.910 14.303 28.045 1.00 0.00 O ATOM 1457 CB VAL A 98 -11.405 16.613 28.420 1.00 0.00 C ATOM 1458 CG1 VAL A 98 -10.549 17.868 28.344 1.00 0.00 C ATOM 1459 CG2 VAL A 98 -12.817 16.950 28.879 1.00 0.00 C ATOM 1460 OXT VAL A 98 -11.417 13.549 26.614 1.00 0.00 O ATOM 0 H VAL A 98 -13.230 16.637 26.280 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.415 15.845 26.662 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.962 15.941 29.155 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.543 18.364 29.315 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.530 17.597 28.069 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.960 18.544 27.594 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -12.775 17.459 29.842 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -13.292 17.601 28.145 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -13.396 16.032 28.979 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 13.222 9.074 8.024 1.00 0.00 N ATOM 1472 CA VAL B 1 12.233 7.972 7.866 1.00 0.00 C ATOM 1473 C VAL B 1 10.916 8.299 8.564 1.00 0.00 C ATOM 1474 O VAL B 1 9.843 7.932 8.085 1.00 0.00 O ATOM 1475 CB VAL B 1 12.780 6.636 8.416 1.00 0.00 C ATOM 1476 CG1 VAL B 1 14.018 6.205 7.644 1.00 0.00 C ATOM 1477 CG2 VAL B 1 13.082 6.750 9.905 1.00 0.00 C ATOM 0 H1 VAL B 1 14.094 8.835 7.510 1.00 0.00 H new ATOM 0 H2 VAL B 1 12.824 9.955 7.640 1.00 0.00 H new ATOM 0 H3 VAL B 1 13.440 9.203 9.033 1.00 0.00 H new ATOM 0 HA VAL B 1 12.052 7.868 6.796 1.00 0.00 H new ATOM 0 HB VAL B 1 12.014 5.872 8.283 1.00 0.00 H new ATOM 0 HG11 VAL B 1 14.388 5.262 8.047 1.00 0.00 H new ATOM 0 HG12 VAL B 1 13.764 6.076 6.592 1.00 0.00 H new ATOM 0 HG13 VAL B 1 14.790 6.968 7.740 1.00 0.00 H new ATOM 0 HG21 VAL B 1 13.466 5.798 10.272 1.00 0.00 H new ATOM 0 HG22 VAL B 1 13.827 7.529 10.066 1.00 0.00 H new ATOM 0 HG23 VAL B 1 12.169 7.005 10.443 1.00 0.00 H new ATOM 1489 N LEU B 2 11.002 8.996 9.695 1.00 0.00 N ATOM 1490 CA LEU B 2 9.811 9.376 10.449 1.00 0.00 C ATOM 1491 C LEU B 2 9.354 10.785 10.077 1.00 0.00 C ATOM 1492 O LEU B 2 8.638 11.435 10.837 1.00 0.00 O ATOM 1493 CB LEU B 2 10.074 9.305 11.957 1.00 0.00 C ATOM 1494 CG LEU B 2 11.037 8.205 12.413 1.00 0.00 C ATOM 1495 CD1 LEU B 2 11.955 8.724 13.509 1.00 0.00 C ATOM 1496 CD2 LEU B 2 10.263 6.986 12.896 1.00 0.00 C ATOM 0 H LEU B 2 11.881 9.308 10.108 1.00 0.00 H new ATOM 0 HA LEU B 2 9.022 8.670 10.192 1.00 0.00 H new ATOM 0 HB2 LEU B 2 10.470 10.267 12.284 1.00 0.00 H new ATOM 0 HB3 LEU B 2 9.121 9.162 12.467 1.00 0.00 H new ATOM 0 HG LEU B 2 11.650 7.907 11.562 1.00 0.00 H new ATOM 0 HD11 LEU B 2 12.633 7.930 13.822 1.00 0.00 H new ATOM 0 HD12 LEU B 2 12.533 9.567 13.130 1.00 0.00 H new ATOM 0 HD13 LEU B 2 11.357 9.048 14.361 1.00 0.00 H new ATOM 0 HD21 LEU B 2 10.963 6.214 13.216 1.00 0.00 H new ATOM 0 HD22 LEU B 2 9.626 7.268 13.734 1.00 0.00 H new ATOM 0 HD23 LEU B 2 9.646 6.602 12.084 1.00 0.00 H new ATOM 1508 N MET B 3 9.776 11.256 8.905 1.00 0.00 N ATOM 1509 CA MET B 3 9.411 12.590 8.442 1.00 0.00 C ATOM 1510 C MET B 3 8.126 12.554 7.615 1.00 0.00 C ATOM 1511 O MET B 3 7.765 11.520 7.054 1.00 0.00 O ATOM 1512 CB MET B 3 10.552 13.189 7.614 1.00 0.00 C ATOM 1513 CG MET B 3 10.883 14.625 7.984 1.00 0.00 C ATOM 1514 SD MET B 3 12.265 15.287 7.035 1.00 0.00 S ATOM 1515 CE MET B 3 13.267 15.991 8.341 1.00 0.00 C ATOM 0 H MET B 3 10.370 10.733 8.261 1.00 0.00 H new ATOM 0 HA MET B 3 9.234 13.216 9.316 1.00 0.00 H new ATOM 0 HB2 MET B 3 11.444 12.575 7.742 1.00 0.00 H new ATOM 0 HB3 MET B 3 10.284 13.147 6.558 1.00 0.00 H new ATOM 0 HG2 MET B 3 10.004 15.249 7.822 1.00 0.00 H new ATOM 0 HG3 MET B 3 11.119 14.677 9.047 1.00 0.00 H new ATOM 0 HE1 MET B 3 14.162 16.440 7.911 1.00 0.00 H new ATOM 0 HE2 MET B 3 12.694 16.755 8.867 1.00 0.00 H new ATOM 0 HE3 MET B 3 13.555 15.207 9.041 1.00 0.00 H new ATOM 1525 N SER B 4 7.440 13.694 7.547 1.00 0.00 N ATOM 1526 CA SER B 4 6.195 13.800 6.791 1.00 0.00 C ATOM 1527 C SER B 4 6.471 13.895 5.295 1.00 0.00 C ATOM 1528 O SER B 4 7.234 14.752 4.849 1.00 0.00 O ATOM 1529 CB SER B 4 5.400 15.024 7.251 1.00 0.00 C ATOM 1530 OG SER B 4 4.858 14.827 8.545 1.00 0.00 O ATOM 0 H SER B 4 7.727 14.558 8.007 1.00 0.00 H new ATOM 0 HA SER B 4 5.609 12.900 6.977 1.00 0.00 H new ATOM 0 HB2 SER B 4 6.047 15.901 7.255 1.00 0.00 H new ATOM 0 HB3 SER B 4 4.595 15.225 6.544 1.00 0.00 H new ATOM 0 HG SER B 4 4.357 15.625 8.815 1.00 0.00 H new ATOM 1536 N LYS B 5 5.853 13.007 4.524 1.00 0.00 N ATOM 1537 CA LYS B 5 6.042 12.990 3.079 1.00 0.00 C ATOM 1538 C LYS B 5 4.769 13.389 2.328 1.00 0.00 C ATOM 1539 O LYS B 5 3.819 13.900 2.920 1.00 0.00 O ATOM 1540 CB LYS B 5 6.532 11.622 2.622 1.00 0.00 C ATOM 1541 CG LYS B 5 7.672 11.087 3.467 1.00 0.00 C ATOM 1542 CD LYS B 5 9.012 11.626 2.990 1.00 0.00 C ATOM 1543 CE LYS B 5 10.122 11.337 3.988 1.00 0.00 C ATOM 1544 NZ LYS B 5 11.286 10.668 3.343 1.00 0.00 N ATOM 0 H LYS B 5 5.218 12.291 4.875 1.00 0.00 H new ATOM 0 HA LYS B 5 6.802 13.734 2.840 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.702 10.916 2.653 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.857 11.687 1.583 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.516 11.364 4.510 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.679 9.998 3.424 1.00 0.00 H new ATOM 0 HD2 LYS B 5 9.262 11.179 2.028 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.936 12.702 2.832 1.00 0.00 H new ATOM 0 HE2 LYS B 5 10.448 12.269 4.449 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.736 10.704 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 12.022 10.488 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.980 9.766 2.925 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 11.670 11.283 2.597 1.00 0.00 H new ATOM 1558 N LEU B 6 4.772 13.168 1.012 1.00 0.00 N ATOM 1559 CA LEU B 6 3.637 13.518 0.156 1.00 0.00 C ATOM 1560 C LEU B 6 2.407 12.648 0.425 1.00 0.00 C ATOM 1561 O LEU B 6 1.282 13.147 0.422 1.00 0.00 O ATOM 1562 CB LEU B 6 4.032 13.403 -1.317 1.00 0.00 C ATOM 1563 CG LEU B 6 5.021 14.460 -1.817 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.938 13.868 -2.877 1.00 0.00 C ATOM 1565 CD2 LEU B 6 4.276 15.673 -2.365 1.00 0.00 C ATOM 0 H LEU B 6 5.554 12.745 0.513 1.00 0.00 H new ATOM 0 HA LEU B 6 3.369 14.548 0.392 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.466 12.417 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.128 13.460 -1.923 1.00 0.00 H new ATOM 0 HG LEU B 6 5.633 14.787 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.635 14.631 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.495 13.034 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.341 13.514 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.995 16.414 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.639 15.365 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.661 16.109 -1.577 1.00 0.00 H new ATOM 1577 N SER B 7 2.612 11.351 0.657 1.00 0.00 N ATOM 1578 CA SER B 7 1.500 10.450 0.926 1.00 0.00 C ATOM 1579 C SER B 7 1.505 9.994 2.381 1.00 0.00 C ATOM 1580 O SER B 7 2.334 9.181 2.782 1.00 0.00 O ATOM 1581 CB SER B 7 1.567 9.242 -0.001 1.00 0.00 C ATOM 1582 OG SER B 7 1.211 9.597 -1.327 1.00 0.00 O ATOM 0 H SER B 7 3.530 10.907 0.663 1.00 0.00 H new ATOM 0 HA SER B 7 0.572 10.991 0.741 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.575 8.827 0.010 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.897 8.463 0.363 1.00 0.00 H new ATOM 0 HG SER B 7 0.282 9.337 -1.497 1.00 0.00 H new ATOM 1588 N VAL B 8 0.574 10.522 3.168 1.00 0.00 N ATOM 1589 CA VAL B 8 0.479 10.165 4.580 1.00 0.00 C ATOM 1590 C VAL B 8 -0.354 8.899 4.778 1.00 0.00 C ATOM 1591 O VAL B 8 -0.788 8.272 3.811 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.133 11.312 5.406 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.810 12.507 5.446 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.489 11.710 4.842 1.00 0.00 C ATOM 0 H VAL B 8 -0.124 11.197 2.854 1.00 0.00 H new ATOM 0 HA VAL B 8 1.495 9.979 4.929 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.279 10.962 6.428 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.359 13.306 6.034 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.755 12.210 5.901 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.992 12.861 4.431 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.907 12.522 5.438 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.371 12.041 3.810 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.162 10.853 4.874 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.564 8.524 6.037 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.332 7.327 6.374 1.00 0.00 C ATOM 1606 C ASN B 9 -2.841 7.550 6.221 1.00 0.00 C ATOM 1607 O ASN B 9 -3.606 7.313 7.156 1.00 0.00 O ATOM 1608 CB ASN B 9 -1.012 6.905 7.812 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.269 5.432 8.055 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.340 4.594 7.618 1.00 0.00 O flip ATOM 1611 ND2 ASN B 9 -2.291 5.054 8.630 1.00 0.00 N flip ATOM 0 H ASN B 9 -0.211 9.035 6.846 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.046 6.538 5.678 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.032 7.129 8.029 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.615 7.495 8.503 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.979 5.736 8.949 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.449 4.059 8.787 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.265 8.024 5.047 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.679 8.297 4.791 1.00 0.00 C ATOM 1620 C ALA B 10 -5.572 7.111 5.156 1.00 0.00 C ATOM 1621 O ALA B 10 -5.083 6.072 5.599 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.873 8.677 3.333 1.00 0.00 C ATOM 0 H ALA B 10 -2.649 8.226 4.260 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.977 9.129 5.429 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.928 8.879 3.147 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.287 9.568 3.108 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.543 7.856 2.696 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.902 7.257 4.973 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.874 6.199 5.281 1.00 0.00 C ATOM 1630 C PRO B 11 -7.499 4.862 4.645 1.00 0.00 C ATOM 1631 O PRO B 11 -6.364 4.670 4.215 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.179 6.735 4.693 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.021 8.215 4.725 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.564 8.473 4.456 1.00 0.00 C ATOM 0 HA PRO B 11 -7.930 5.992 6.350 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.334 6.374 3.676 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.040 6.415 5.280 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.649 8.692 3.973 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.319 8.620 5.692 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.370 8.615 3.393 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.213 9.370 4.967 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.461 3.947 4.548 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.227 2.654 3.915 1.00 0.00 C ATOM 1644 C GLU B 12 -8.384 2.743 2.397 1.00 0.00 C ATOM 1645 O GLU B 12 -8.620 3.817 1.845 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.183 1.603 4.485 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.498 0.302 4.877 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.523 0.475 6.028 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -6.975 1.587 6.181 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -7.305 -0.503 6.772 1.00 0.00 O ATOM 0 H GLU B 12 -9.409 4.078 4.900 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.201 2.356 4.131 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.685 2.017 5.360 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.955 1.389 3.746 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.254 -0.432 5.154 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.967 -0.098 4.014 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.282 1.594 1.733 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.446 1.537 0.282 1.00 0.00 C ATOM 1659 C PHE B 13 -9.814 0.964 -0.063 1.00 0.00 C ATOM 1660 O PHE B 13 -10.114 -0.193 0.231 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.329 0.734 -0.396 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.372 -0.751 -0.183 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -7.237 -1.304 1.082 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.523 -1.601 -1.266 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -7.258 -2.676 1.256 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.541 -2.969 -1.095 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.412 -3.506 0.164 1.00 0.00 C ATOM 0 H PHE B 13 -8.088 0.695 2.173 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.378 2.555 -0.101 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.365 0.930 -1.468 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.370 1.106 -0.036 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -7.114 -0.658 1.938 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.628 -1.187 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -7.154 -3.097 2.245 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.656 -3.619 -1.950 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.431 -4.577 0.299 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.636 1.793 -0.702 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.974 1.396 -1.119 1.00 0.00 C ATOM 1679 C TYR B 14 -12.129 1.483 -2.636 1.00 0.00 C ATOM 1680 O TYR B 14 -11.256 2.014 -3.320 1.00 0.00 O ATOM 1681 CB TYR B 14 -13.016 2.257 -0.407 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.454 1.656 0.907 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.531 1.406 1.915 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -14.781 1.323 1.135 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -12.921 0.841 3.115 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.179 0.761 2.332 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.245 0.521 3.318 1.00 0.00 C ATOM 1688 OH TYR B 14 -14.637 -0.043 4.509 1.00 0.00 O ATOM 0 H TYR B 14 -10.393 2.754 -0.943 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.131 0.355 -0.838 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.604 3.251 -0.230 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.884 2.382 -1.054 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.492 1.657 1.759 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.515 1.506 0.364 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.192 0.652 3.889 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.217 0.511 2.495 1.00 0.00 H new ATOM 0 HH TYR B 14 -15.603 -0.206 4.491 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.249 0.979 -3.189 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.498 1.031 -4.632 1.00 0.00 C ATOM 1700 C PRO B 15 -13.551 2.458 -5.162 1.00 0.00 C ATOM 1701 O PRO B 15 -14.595 3.114 -5.136 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.857 0.358 -4.798 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.490 0.435 -3.452 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.361 0.334 -2.468 1.00 0.00 C ATOM 0 HA PRO B 15 -12.699 0.544 -5.191 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.461 0.868 -5.548 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.748 -0.676 -5.125 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -16.035 1.371 -3.328 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.207 -0.373 -3.310 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.590 0.847 -1.534 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.134 -0.702 -2.216 1.00 0.00 H new ATOM 1712 N SER B 16 -12.419 2.922 -5.661 1.00 0.00 N ATOM 1713 CA SER B 16 -12.308 4.264 -6.215 1.00 0.00 C ATOM 1714 C SER B 16 -13.385 4.500 -7.264 1.00 0.00 C ATOM 1715 O SER B 16 -14.283 5.321 -7.080 1.00 0.00 O ATOM 1716 CB SER B 16 -10.931 4.434 -6.833 1.00 0.00 C ATOM 1717 OG SER B 16 -10.510 5.781 -6.778 1.00 0.00 O ATOM 0 H SER B 16 -11.553 2.384 -5.695 1.00 0.00 H new ATOM 0 HA SER B 16 -12.445 4.994 -5.417 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.213 3.804 -6.308 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.951 4.098 -7.870 1.00 0.00 H new ATOM 0 HG SER B 16 -10.225 5.998 -5.866 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.286 3.764 -8.358 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.257 3.885 -9.425 1.00 0.00 C ATOM 1725 C GLY B 17 -15.515 3.085 -9.155 1.00 0.00 C ATOM 1726 O GLY B 17 -15.933 2.274 -9.979 1.00 0.00 O ATOM 0 H GLY B 17 -12.547 3.081 -8.528 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.519 4.935 -9.557 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.809 3.548 -10.360 1.00 0.00 H new ATOM 1730 N TYR B 18 -16.129 3.325 -7.999 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.357 2.636 -7.629 1.00 0.00 C ATOM 1732 C TYR B 18 -18.490 3.028 -8.573 1.00 0.00 C ATOM 1733 O TYR B 18 -18.609 4.192 -8.955 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.733 2.985 -6.189 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.402 1.858 -5.442 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.838 0.594 -5.414 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.596 2.059 -4.766 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.443 -0.441 -4.729 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.210 1.029 -4.079 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.629 -0.219 -4.064 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.235 -1.248 -3.380 1.00 0.00 O ATOM 0 H TYR B 18 -15.794 3.992 -7.304 1.00 0.00 H new ATOM 0 HA TYR B 18 -17.194 1.561 -7.707 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.833 3.281 -5.650 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.398 3.848 -6.197 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.910 0.415 -5.936 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.054 3.037 -4.777 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.988 -1.421 -4.715 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.140 1.202 -3.557 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.062 -0.923 -2.966 1.00 0.00 H new ATOM 1751 N SER B 19 -19.323 2.061 -8.947 1.00 0.00 N ATOM 1752 CA SER B 19 -20.439 2.331 -9.846 1.00 0.00 C ATOM 1753 C SER B 19 -21.672 2.792 -9.069 1.00 0.00 C ATOM 1754 O SER B 19 -22.787 2.337 -9.327 1.00 0.00 O ATOM 1755 CB SER B 19 -20.774 1.087 -10.671 1.00 0.00 C ATOM 1756 OG SER B 19 -19.600 0.368 -11.008 1.00 0.00 O ATOM 0 H SER B 19 -19.247 1.090 -8.644 1.00 0.00 H new ATOM 0 HA SER B 19 -20.139 3.133 -10.520 1.00 0.00 H new ATOM 0 HB2 SER B 19 -21.449 0.444 -10.107 1.00 0.00 H new ATOM 0 HB3 SER B 19 -21.299 1.380 -11.580 1.00 0.00 H new ATOM 0 HG SER B 19 -19.006 0.941 -11.536 1.00 0.00 H new ATOM 1762 N SER B 20 -21.460 3.701 -8.122 1.00 0.00 N ATOM 1763 CA SER B 20 -22.548 4.230 -7.310 1.00 0.00 C ATOM 1764 C SER B 20 -22.889 5.652 -7.741 1.00 0.00 C ATOM 1765 O SER B 20 -24.059 6.019 -7.843 1.00 0.00 O ATOM 1766 CB SER B 20 -22.160 4.213 -5.831 1.00 0.00 C ATOM 1767 OG SER B 20 -22.760 3.119 -5.156 1.00 0.00 O ATOM 0 H SER B 20 -20.542 4.086 -7.899 1.00 0.00 H new ATOM 0 HA SER B 20 -23.425 3.599 -7.454 1.00 0.00 H new ATOM 0 HB2 SER B 20 -21.076 4.151 -5.737 1.00 0.00 H new ATOM 0 HB3 SER B 20 -22.468 5.147 -5.361 1.00 0.00 H new ATOM 0 HG SER B 20 -22.064 2.499 -4.854 1.00 0.00 H new ATOM 1773 N SER B 21 -21.853 6.447 -7.990 1.00 0.00 N ATOM 1774 CA SER B 21 -22.030 7.831 -8.410 1.00 0.00 C ATOM 1775 C SER B 21 -21.507 8.037 -9.828 1.00 0.00 C ATOM 1776 O SER B 21 -22.145 8.700 -10.647 1.00 0.00 O ATOM 1777 CB SER B 21 -21.308 8.772 -7.444 1.00 0.00 C ATOM 1778 OG SER B 21 -22.096 9.914 -7.158 1.00 0.00 O ATOM 0 H SER B 21 -20.879 6.154 -7.908 1.00 0.00 H new ATOM 0 HA SER B 21 -23.096 8.058 -8.399 1.00 0.00 H new ATOM 0 HB2 SER B 21 -21.080 8.243 -6.519 1.00 0.00 H new ATOM 0 HB3 SER B 21 -20.357 9.082 -7.877 1.00 0.00 H new ATOM 0 HG SER B 21 -21.612 10.498 -6.537 1.00 0.00 H new ATOM 1784 N TYR B 22 -20.343 7.464 -10.112 1.00 0.00 N ATOM 1785 CA TYR B 22 -19.734 7.581 -11.431 1.00 0.00 C ATOM 1786 C TYR B 22 -19.926 6.298 -12.234 1.00 0.00 C ATOM 1787 O TYR B 22 -19.805 6.355 -13.476 1.00 0.00 O ATOM 1788 CB TYR B 22 -18.244 7.903 -11.303 1.00 0.00 C ATOM 1789 CG TYR B 22 -17.873 9.267 -11.838 1.00 0.00 C ATOM 1790 CD1 TYR B 22 -18.390 9.724 -13.043 1.00 0.00 C ATOM 1791 CD2 TYR B 22 -17.004 10.095 -11.140 1.00 0.00 C ATOM 1792 CE1 TYR B 22 -18.053 10.971 -13.537 1.00 0.00 C ATOM 1793 CE2 TYR B 22 -16.663 11.344 -11.627 1.00 0.00 C ATOM 1794 CZ TYR B 22 -17.190 11.776 -12.825 1.00 0.00 C ATOM 1795 OH TYR B 22 -16.853 13.017 -13.314 1.00 0.00 O ATOM 1796 OXT TYR B 22 -20.194 5.248 -11.613 1.00 0.00 O ATOM 0 H TYR B 22 -19.802 6.913 -9.445 1.00 0.00 H new ATOM 0 HA TYR B 22 -20.227 8.396 -11.961 1.00 0.00 H new ATOM 0 HB2 TYR B 22 -17.956 7.843 -10.253 1.00 0.00 H new ATOM 0 HB3 TYR B 22 -17.670 7.144 -11.835 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -19.066 9.095 -13.603 1.00 0.00 H new ATOM 0 HD2 TYR B 22 -16.588 9.759 -10.202 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -18.464 11.312 -14.476 1.00 0.00 H new ATOM 0 HE2 TYR B 22 -15.987 11.977 -11.071 1.00 0.00 H new ATOM 0 HH TYR B 22 -16.237 13.457 -12.692 1.00 0.00 H new TER 1806 TYR B 22