USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=35 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 79 HIS :FLIP no HD1:sc= -0.754 F(o=-4.9,f=-4.2) USER MOD Set 1.2: B 9 ASN :FLIP amide:sc= -3.45! C(o=-7.7!,f=-4.2!) USER MOD Set 2.1: A 22 GLN : amide:sc= -2.83 K(o=-2.8,f=-5.7!) USER MOD Set 2.2: A 23 MET CE :methyl -164:sc= 0 (180deg=0) USER MOD Set 3.1: A 18 GLN : amide:sc= 0.423 X(o=0.87,f=1.1) USER MOD Set 3.2: B 18 TYR OH : rot -84:sc= 0.317 USER MOD Set 3.3: B 20 SER OG : rot -120:sc= 0.128 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 152:sc= -4.1! (180deg=-7.02!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.6!) USER MOD Single : A 21 LYS NZ :NH3+ 141:sc= -0.31 (180deg=-1.02) USER MOD Single : A 33 GLN : amide:sc= -0.0328 K(o=-0.033,f=-0.74) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -7.47! C(o=-9.5!,f=-7.5!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.832 USER MOD Single : A 42 LYS NZ :NH3+ -115:sc= 0.62 (180deg=-1.09!) USER MOD Single : A 44 THR OG1 : rot 86:sc= -0.907 USER MOD Single : A 46 MET CE :methyl -121:sc= -0.153 (180deg=-2.15!) USER MOD Single : A 52 ASN :FLIP amide:sc= -3.61! C(o=-5.5!,f=-3.6!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.026 X(o=-0.026,f=-0.19) USER MOD Single : A 58 MET CE :methyl 148:sc= -3.01 (180deg=-4.81!) USER MOD Single : A 61 SER OG : rot -136:sc= 0.113 USER MOD Single : A 64 SER OG : rot -90:sc= 1.33 USER MOD Single : A 67 SER OG : rot 79:sc= 1.24 USER MOD Single : A 68 LYS NZ :NH3+ -95:sc= 1.24 (180deg=-0.448) USER MOD Single : A 77 GLN : amide:sc= -0.491 K(o=-0.49,f=-1.1) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.2) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0.482 K(o=0.48,f=-5.7!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0688 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0348 USER MOD Single : B 1 VAL N :NH3+ -164:sc= -0.17 (180deg=-0.669) 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+ 147:sc= 0.0454 (180deg=0) USER MOD Single : B 7 SER OG : rot -88:sc= -3.86! USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 70:sc= -3.82! USER MOD Single : B 19 SER OG : 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 -5.840 -19.689 -8.825 1.00 0.00 N ATOM 2 CA GLY A 1 -6.505 -19.446 -7.515 1.00 0.00 C ATOM 3 C GLY A 1 -5.520 -19.442 -6.359 1.00 0.00 C ATOM 4 O GLY A 1 -4.728 -18.510 -6.225 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.553 -19.683 -9.583 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.139 -18.941 -9.003 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.363 -20.613 -8.806 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.027 -18.490 -7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.258 -20.215 -7.345 1.00 0.00 H new ATOM 10 N PRO A 2 -5.542 -20.478 -5.499 1.00 0.00 N ATOM 11 CA PRO A 2 -4.631 -20.566 -4.354 1.00 0.00 C ATOM 12 C PRO A 2 -3.190 -20.825 -4.782 1.00 0.00 C ATOM 13 O PRO A 2 -2.252 -20.279 -4.203 1.00 0.00 O ATOM 14 CB PRO A 2 -5.175 -21.754 -3.556 1.00 0.00 C ATOM 15 CG PRO A 2 -5.882 -22.593 -4.561 1.00 0.00 C ATOM 16 CD PRO A 2 -6.449 -21.639 -5.576 1.00 0.00 C ATOM 0 HA PRO A 2 -4.597 -19.636 -3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.370 -22.308 -3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.852 -21.425 -2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.197 -23.299 -5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.673 -23.179 -4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.460 -22.075 -6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.476 -21.363 -5.338 1.00 0.00 H new ATOM 24 N LEU A 3 -3.024 -21.663 -5.801 1.00 0.00 N ATOM 25 CA LEU A 3 -1.697 -21.995 -6.309 1.00 0.00 C ATOM 26 C LEU A 3 -1.310 -21.089 -7.477 1.00 0.00 C ATOM 27 O LEU A 3 -0.338 -21.358 -8.183 1.00 0.00 O ATOM 28 CB LEU A 3 -1.650 -23.458 -6.750 1.00 0.00 C ATOM 29 CG LEU A 3 -1.487 -24.472 -5.615 1.00 0.00 C ATOM 30 CD1 LEU A 3 -2.169 -25.788 -5.970 1.00 0.00 C ATOM 31 CD2 LEU A 3 -0.013 -24.694 -5.311 1.00 0.00 C ATOM 0 H LEU A 3 -3.791 -22.124 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.981 -21.839 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.567 -23.688 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.825 -23.584 -7.451 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.966 -24.072 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.042 -26.496 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.232 -25.613 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.721 -26.197 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.087 -25.417 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.489 -25.074 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.443 -23.750 -5.012 1.00 0.00 H new ATOM 43 N GLY A 4 -2.072 -20.016 -7.678 1.00 0.00 N ATOM 44 CA GLY A 4 -1.784 -19.096 -8.763 1.00 0.00 C ATOM 45 C GLY A 4 -1.200 -17.786 -8.271 1.00 0.00 C ATOM 46 O GLY A 4 -1.093 -17.560 -7.067 1.00 0.00 O ATOM 0 H GLY A 4 -2.882 -19.769 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.086 -19.564 -9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.700 -18.896 -9.319 1.00 0.00 H new ATOM 50 N SER A 5 -0.822 -16.921 -9.207 1.00 0.00 N ATOM 51 CA SER A 5 -0.247 -15.627 -8.860 1.00 0.00 C ATOM 52 C SER A 5 -1.292 -14.518 -8.978 1.00 0.00 C ATOM 53 O SER A 5 -1.825 -14.273 -10.060 1.00 0.00 O ATOM 54 CB SER A 5 0.945 -15.318 -9.769 1.00 0.00 C ATOM 55 OG SER A 5 2.121 -15.958 -9.305 1.00 0.00 O ATOM 0 H SER A 5 -0.903 -17.092 -10.209 1.00 0.00 H new ATOM 0 HA SER A 5 0.094 -15.672 -7.826 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.726 -15.646 -10.785 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.106 -14.241 -9.809 1.00 0.00 H new ATOM 0 HG SER A 5 2.867 -15.746 -9.904 1.00 0.00 H new ATOM 61 N PRO A 6 -1.601 -13.826 -7.865 1.00 0.00 N ATOM 62 CA PRO A 6 -2.587 -12.741 -7.861 1.00 0.00 C ATOM 63 C PRO A 6 -2.319 -11.711 -8.954 1.00 0.00 C ATOM 64 O PRO A 6 -1.499 -10.808 -8.781 1.00 0.00 O ATOM 65 CB PRO A 6 -2.415 -12.110 -6.476 1.00 0.00 C ATOM 66 CG PRO A 6 -1.879 -13.209 -5.626 1.00 0.00 C ATOM 67 CD PRO A 6 -1.015 -14.046 -6.528 1.00 0.00 C ATOM 0 HA PRO A 6 -3.596 -13.105 -8.055 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -1.729 -11.264 -6.509 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.364 -11.737 -6.090 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.301 -12.811 -4.792 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.688 -13.802 -5.199 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.028 -13.732 -6.490 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -1.041 -15.099 -6.246 1.00 0.00 H new ATOM 75 N LEU A 7 -3.010 -11.855 -10.080 1.00 0.00 N ATOM 76 CA LEU A 7 -2.841 -10.937 -11.203 1.00 0.00 C ATOM 77 C LEU A 7 -3.722 -9.698 -11.041 1.00 0.00 C ATOM 78 O LEU A 7 -4.835 -9.773 -10.516 1.00 0.00 O ATOM 79 CB LEU A 7 -3.164 -11.643 -12.524 1.00 0.00 C ATOM 80 CG LEU A 7 -2.045 -11.614 -13.570 1.00 0.00 C ATOM 81 CD1 LEU A 7 -1.486 -10.207 -13.723 1.00 0.00 C ATOM 82 CD2 LEU A 7 -0.940 -12.591 -13.195 1.00 0.00 C ATOM 0 H LEU A 7 -3.691 -12.597 -10.240 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.800 -10.615 -11.218 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.413 -12.682 -12.310 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.054 -11.184 -12.955 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.465 -11.919 -14.528 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.693 -10.210 -14.471 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.281 -9.532 -14.040 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.083 -9.870 -12.768 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.153 -12.557 -13.949 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.525 -12.316 -12.225 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.349 -13.600 -13.142 1.00 0.00 H new ATOM 94 N THR A 8 -3.204 -8.553 -11.472 1.00 0.00 N ATOM 95 CA THR A 8 -3.925 -7.294 -11.336 1.00 0.00 C ATOM 96 C THR A 8 -4.858 -7.079 -12.510 1.00 0.00 C ATOM 97 O THR A 8 -5.941 -6.517 -12.352 1.00 0.00 O ATOM 98 CB THR A 8 -2.935 -6.129 -11.244 1.00 0.00 C ATOM 99 OG1 THR A 8 -1.795 -6.369 -12.054 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.452 -5.861 -9.835 1.00 0.00 C ATOM 0 H THR A 8 -2.290 -8.471 -11.917 1.00 0.00 H new ATOM 0 HA THR A 8 -4.519 -7.338 -10.423 1.00 0.00 H new ATOM 0 HB THR A 8 -3.487 -5.256 -11.592 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.177 -5.612 -11.982 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.754 -5.024 -9.843 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.303 -5.618 -9.199 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.951 -6.748 -9.447 1.00 0.00 H new ATOM 108 N ALA A 9 -4.466 -7.560 -13.681 1.00 0.00 N ATOM 109 CA ALA A 9 -5.319 -7.438 -14.848 1.00 0.00 C ATOM 110 C ALA A 9 -6.638 -8.139 -14.566 1.00 0.00 C ATOM 111 O ALA A 9 -7.690 -7.503 -14.493 1.00 0.00 O ATOM 112 CB ALA A 9 -4.640 -8.031 -16.075 1.00 0.00 C ATOM 0 H ALA A 9 -3.576 -8.031 -13.845 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.506 -6.384 -15.056 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.297 -7.929 -16.939 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.706 -7.503 -16.265 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.431 -9.086 -15.901 1.00 0.00 H new ATOM 118 N SER A 10 -6.576 -9.459 -14.437 1.00 0.00 N ATOM 119 CA SER A 10 -7.768 -10.262 -14.195 1.00 0.00 C ATOM 120 C SER A 10 -8.513 -9.811 -12.942 1.00 0.00 C ATOM 121 O SER A 10 -9.723 -10.018 -12.833 1.00 0.00 O ATOM 122 CB SER A 10 -7.395 -11.739 -14.067 1.00 0.00 C ATOM 123 OG SER A 10 -8.480 -12.571 -14.432 1.00 0.00 O ATOM 0 H SER A 10 -5.711 -9.997 -14.496 1.00 0.00 H new ATOM 0 HA SER A 10 -8.431 -10.124 -15.049 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.536 -11.957 -14.702 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.096 -11.954 -13.041 1.00 0.00 H new ATOM 0 HG SER A 10 -8.216 -13.511 -14.343 1.00 0.00 H new ATOM 129 N MET A 11 -7.813 -9.175 -12.001 1.00 0.00 N ATOM 130 CA MET A 11 -8.465 -8.708 -10.782 1.00 0.00 C ATOM 131 C MET A 11 -9.525 -7.678 -11.134 1.00 0.00 C ATOM 132 O MET A 11 -10.642 -7.713 -10.619 1.00 0.00 O ATOM 133 CB MET A 11 -7.440 -8.094 -9.821 1.00 0.00 C ATOM 134 CG MET A 11 -6.897 -9.073 -8.792 1.00 0.00 C ATOM 135 SD MET A 11 -7.597 -8.820 -7.148 1.00 0.00 S ATOM 136 CE MET A 11 -9.310 -8.491 -7.549 1.00 0.00 C ATOM 0 H MET A 11 -6.814 -8.975 -12.059 1.00 0.00 H new ATOM 0 HA MET A 11 -8.934 -9.559 -10.288 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.609 -7.692 -10.400 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.901 -7.254 -9.301 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.108 -10.091 -9.119 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.813 -8.974 -8.739 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.944 -8.799 -6.717 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.443 -7.425 -7.731 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.588 -9.049 -8.443 1.00 0.00 H new ATOM 146 N LEU A 12 -9.163 -6.772 -12.022 1.00 0.00 N ATOM 147 CA LEU A 12 -10.078 -5.729 -12.464 1.00 0.00 C ATOM 148 C LEU A 12 -11.252 -6.331 -13.232 1.00 0.00 C ATOM 149 O LEU A 12 -12.406 -6.171 -12.834 1.00 0.00 O ATOM 150 CB LEU A 12 -9.336 -4.695 -13.321 1.00 0.00 C ATOM 151 CG LEU A 12 -9.574 -3.223 -12.943 1.00 0.00 C ATOM 152 CD1 LEU A 12 -10.854 -2.712 -13.586 1.00 0.00 C ATOM 153 CD2 LEU A 12 -9.630 -3.033 -11.428 1.00 0.00 C ATOM 0 H LEU A 12 -8.240 -6.735 -12.454 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.476 -5.222 -11.585 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.267 -4.899 -13.259 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.628 -4.836 -14.362 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.731 -2.644 -13.320 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.009 -1.669 -13.309 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.774 -2.792 -14.670 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.698 -3.308 -13.240 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.799 -1.981 -11.199 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.444 -3.629 -11.016 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.686 -3.353 -10.986 1.00 0.00 H new ATOM 165 N ALA A 13 -10.963 -7.030 -14.329 1.00 0.00 N ATOM 166 CA ALA A 13 -12.008 -7.660 -15.138 1.00 0.00 C ATOM 167 C ALA A 13 -12.646 -8.856 -14.428 1.00 0.00 C ATOM 168 O ALA A 13 -13.394 -9.622 -15.038 1.00 0.00 O ATOM 169 CB ALA A 13 -11.433 -8.102 -16.467 1.00 0.00 C ATOM 0 H ALA A 13 -10.016 -7.175 -14.678 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.789 -6.917 -15.298 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.215 -8.570 -17.064 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.039 -7.236 -16.999 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.630 -8.819 -16.296 1.00 0.00 H new ATOM 175 N SER A 14 -12.374 -8.993 -13.140 1.00 0.00 N ATOM 176 CA SER A 14 -12.949 -10.072 -12.344 1.00 0.00 C ATOM 177 C SER A 14 -14.303 -9.646 -11.788 1.00 0.00 C ATOM 178 O SER A 14 -15.234 -10.448 -11.704 1.00 0.00 O ATOM 179 CB SER A 14 -12.026 -10.455 -11.185 1.00 0.00 C ATOM 180 OG SER A 14 -12.089 -11.846 -10.920 1.00 0.00 O ATOM 0 H SER A 14 -11.757 -8.369 -12.620 1.00 0.00 H new ATOM 0 HA SER A 14 -13.072 -10.938 -12.994 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.001 -10.173 -11.425 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.309 -9.898 -10.292 1.00 0.00 H new ATOM 0 HG SER A 14 -11.489 -12.065 -10.177 1.00 0.00 H new ATOM 186 N ALA A 15 -14.388 -8.384 -11.375 1.00 0.00 N ATOM 187 CA ALA A 15 -15.611 -7.857 -10.783 1.00 0.00 C ATOM 188 C ALA A 15 -16.066 -6.554 -11.447 1.00 0.00 C ATOM 189 O ALA A 15 -16.033 -5.489 -10.832 1.00 0.00 O ATOM 190 CB ALA A 15 -15.388 -7.642 -9.302 1.00 0.00 C ATOM 0 H ALA A 15 -13.625 -7.710 -11.440 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.406 -8.585 -10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.298 -7.248 -8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.131 -8.591 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.574 -6.932 -9.156 1.00 0.00 H new ATOM 196 N PRO A 16 -16.497 -6.627 -12.721 1.00 0.00 N ATOM 197 CA PRO A 16 -16.958 -5.463 -13.481 1.00 0.00 C ATOM 198 C PRO A 16 -17.863 -4.522 -12.674 1.00 0.00 C ATOM 199 O PRO A 16 -17.637 -3.313 -12.659 1.00 0.00 O ATOM 200 CB PRO A 16 -17.745 -6.068 -14.657 1.00 0.00 C ATOM 201 CG PRO A 16 -17.618 -7.559 -14.546 1.00 0.00 C ATOM 202 CD PRO A 16 -16.552 -7.851 -13.527 1.00 0.00 C ATOM 0 HA PRO A 16 -16.112 -4.845 -13.783 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.791 -5.766 -14.617 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.347 -5.716 -15.609 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.567 -8.003 -14.245 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.355 -7.994 -15.510 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.806 -8.720 -12.919 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.593 -8.062 -14.000 1.00 0.00 H new ATOM 210 N PRO A 17 -18.911 -5.057 -12.010 1.00 0.00 N ATOM 211 CA PRO A 17 -19.851 -4.245 -11.220 1.00 0.00 C ATOM 212 C PRO A 17 -19.155 -3.305 -10.242 1.00 0.00 C ATOM 213 O PRO A 17 -17.976 -2.999 -10.391 1.00 0.00 O ATOM 214 CB PRO A 17 -20.665 -5.286 -10.456 1.00 0.00 C ATOM 215 CG PRO A 17 -20.616 -6.504 -11.307 1.00 0.00 C ATOM 216 CD PRO A 17 -19.275 -6.487 -11.989 1.00 0.00 C ATOM 0 HA PRO A 17 -20.445 -3.593 -11.860 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -20.240 -5.475 -9.470 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.691 -4.951 -10.302 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.735 -7.405 -10.705 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.424 -6.501 -12.038 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.541 -7.079 -11.443 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -19.333 -6.900 -12.996 1.00 0.00 H new ATOM 224 N GLN A 18 -19.897 -2.855 -9.232 1.00 0.00 N ATOM 225 CA GLN A 18 -19.353 -1.948 -8.222 1.00 0.00 C ATOM 226 C GLN A 18 -18.071 -2.497 -7.620 1.00 0.00 C ATOM 227 O GLN A 18 -17.291 -1.752 -7.029 1.00 0.00 O ATOM 228 CB GLN A 18 -20.377 -1.689 -7.112 1.00 0.00 C ATOM 229 CG GLN A 18 -21.220 -2.906 -6.753 1.00 0.00 C ATOM 230 CD GLN A 18 -21.991 -2.723 -5.459 1.00 0.00 C ATOM 231 OE1 GLN A 18 -21.611 -3.252 -4.417 1.00 0.00 O ATOM 232 NE2 GLN A 18 -23.084 -1.969 -5.524 1.00 0.00 N ATOM 0 H GLN A 18 -20.876 -3.103 -9.091 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.125 -1.006 -8.721 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.852 -1.347 -6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.038 -0.880 -7.423 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -21.921 -3.109 -7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.572 -3.778 -6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.362 -1.549 -6.411 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -23.645 -1.810 -4.687 1.00 0.00 H new ATOM 241 N GLU A 19 -17.840 -3.796 -7.782 1.00 0.00 N ATOM 242 CA GLU A 19 -16.636 -4.411 -7.261 1.00 0.00 C ATOM 243 C GLU A 19 -15.486 -4.270 -8.259 1.00 0.00 C ATOM 244 O GLU A 19 -14.635 -5.152 -8.369 1.00 0.00 O ATOM 245 CB GLU A 19 -16.889 -5.889 -6.950 1.00 0.00 C ATOM 246 CG GLU A 19 -18.076 -6.124 -6.032 1.00 0.00 C ATOM 247 CD GLU A 19 -18.525 -7.573 -6.021 1.00 0.00 C ATOM 248 OE1 GLU A 19 -19.321 -7.954 -6.905 1.00 0.00 O ATOM 249 OE2 GLU A 19 -18.075 -8.329 -5.135 1.00 0.00 O ATOM 0 H GLU A 19 -18.469 -4.435 -8.267 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.358 -3.900 -6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.052 -6.425 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.996 -6.313 -6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.813 -5.821 -5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.906 -5.492 -6.348 1.00 0.00 H new ATOM 256 N GLN A 20 -15.445 -3.131 -8.945 1.00 0.00 N ATOM 257 CA GLN A 20 -14.373 -2.849 -9.888 1.00 0.00 C ATOM 258 C GLN A 20 -13.062 -2.598 -9.141 1.00 0.00 C ATOM 259 O GLN A 20 -12.272 -3.512 -8.905 1.00 0.00 O ATOM 260 CB GLN A 20 -14.699 -1.653 -10.818 1.00 0.00 C ATOM 261 CG GLN A 20 -15.883 -0.793 -10.391 1.00 0.00 C ATOM 262 CD GLN A 20 -16.334 0.160 -11.482 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.515 0.216 -11.821 1.00 0.00 O ATOM 264 NE2 GLN A 20 -15.392 0.911 -12.040 1.00 0.00 N ATOM 0 H GLN A 20 -16.142 -2.391 -8.864 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.266 -3.728 -10.523 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.816 -1.017 -10.886 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.893 -2.037 -11.820 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.715 -1.439 -10.111 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.611 -0.221 -9.504 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.424 0.831 -11.727 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.636 1.568 -12.782 1.00 0.00 H new ATOM 273 N LYS A 21 -12.857 -1.334 -8.777 1.00 0.00 N ATOM 274 CA LYS A 21 -11.663 -0.891 -8.053 1.00 0.00 C ATOM 275 C LYS A 21 -11.746 -1.184 -6.556 1.00 0.00 C ATOM 276 O LYS A 21 -10.989 -0.610 -5.774 1.00 0.00 O ATOM 277 CB LYS A 21 -11.449 0.610 -8.266 1.00 0.00 C ATOM 278 CG LYS A 21 -11.984 1.122 -9.594 1.00 0.00 C ATOM 279 CD LYS A 21 -10.873 1.299 -10.615 1.00 0.00 C ATOM 280 CE LYS A 21 -10.358 -0.043 -11.108 1.00 0.00 C ATOM 281 NZ LYS A 21 -9.239 0.115 -12.076 1.00 0.00 N ATOM 0 H LYS A 21 -13.517 -0.582 -8.976 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.819 -1.453 -8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.932 1.155 -7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.383 0.828 -8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.726 0.424 -9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.492 2.074 -9.439 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.241 1.882 -11.459 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.054 1.864 -10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.022 -0.638 -10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.172 -0.593 -11.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.525 -0.621 -11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.603 0.024 -13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.806 1.053 -11.956 1.00 0.00 H new ATOM 295 N GLN A 22 -12.657 -2.062 -6.148 1.00 0.00 N ATOM 296 CA GLN A 22 -12.809 -2.378 -4.723 1.00 0.00 C ATOM 297 C GLN A 22 -11.585 -3.066 -4.141 1.00 0.00 C ATOM 298 O GLN A 22 -10.999 -2.577 -3.174 1.00 0.00 O ATOM 299 CB GLN A 22 -14.051 -3.236 -4.471 1.00 0.00 C ATOM 300 CG GLN A 22 -14.106 -4.508 -5.299 1.00 0.00 C ATOM 301 CD GLN A 22 -14.551 -5.720 -4.502 1.00 0.00 C ATOM 302 OE1 GLN A 22 -14.108 -6.839 -4.760 1.00 0.00 O ATOM 303 NE2 GLN A 22 -15.435 -5.507 -3.532 1.00 0.00 N ATOM 0 H GLN A 22 -13.294 -2.562 -6.768 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.926 -1.421 -4.215 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.087 -3.501 -3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -14.939 -2.640 -4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.789 -4.360 -6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -13.120 -4.701 -5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.776 -4.563 -3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.772 -6.288 -2.968 1.00 0.00 H new ATOM 312 N MET A 23 -11.196 -4.196 -4.712 1.00 0.00 N ATOM 313 CA MET A 23 -10.045 -4.923 -4.217 1.00 0.00 C ATOM 314 C MET A 23 -8.803 -4.043 -4.303 1.00 0.00 C ATOM 315 O MET A 23 -8.489 -3.332 -3.359 1.00 0.00 O ATOM 316 CB MET A 23 -9.877 -6.234 -4.996 1.00 0.00 C ATOM 317 CG MET A 23 -11.166 -7.039 -5.118 1.00 0.00 C ATOM 318 SD MET A 23 -11.493 -8.059 -3.667 1.00 0.00 S ATOM 319 CE MET A 23 -12.294 -9.474 -4.417 1.00 0.00 C ATOM 0 H MET A 23 -11.659 -4.624 -5.513 1.00 0.00 H new ATOM 0 HA MET A 23 -10.195 -5.183 -3.169 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.503 -6.008 -5.995 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.121 -6.846 -4.503 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.002 -6.357 -5.273 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.108 -7.677 -6.000 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.805 -10.053 -3.648 1.00 0.00 H new ATOM 0 HE2 MET A 23 -13.019 -9.132 -5.156 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.546 -10.099 -4.905 1.00 0.00 H new ATOM 329 N LEU A 24 -8.106 -4.088 -5.430 1.00 0.00 N ATOM 330 CA LEU A 24 -6.894 -3.287 -5.630 1.00 0.00 C ATOM 331 C LEU A 24 -7.171 -1.776 -5.564 1.00 0.00 C ATOM 332 O LEU A 24 -6.783 -1.046 -6.477 1.00 0.00 O ATOM 333 CB LEU A 24 -6.247 -3.619 -6.994 1.00 0.00 C ATOM 334 CG LEU A 24 -7.012 -4.610 -7.879 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.215 -3.930 -8.520 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.093 -5.194 -8.938 1.00 0.00 C ATOM 0 H LEU A 24 -8.357 -4.673 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.214 -3.543 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.121 -2.690 -7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.250 -4.020 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.375 -5.427 -7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.748 -4.647 -9.145 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.882 -3.561 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.877 -3.095 -9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.652 -5.895 -9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.701 -4.391 -9.562 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.266 -5.715 -8.455 1.00 0.00 H new ATOM 348 N GLY A 25 -7.834 -1.297 -4.497 1.00 0.00 N ATOM 349 CA GLY A 25 -8.129 0.127 -4.383 1.00 0.00 C ATOM 350 C GLY A 25 -8.300 0.796 -5.739 1.00 0.00 C ATOM 351 O GLY A 25 -8.814 0.187 -6.678 1.00 0.00 O ATOM 0 H GLY A 25 -8.167 -1.868 -3.720 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.039 0.261 -3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.324 0.619 -3.837 1.00 0.00 H new ATOM 355 N GLU A 26 -7.847 2.038 -5.856 1.00 0.00 N ATOM 356 CA GLU A 26 -7.933 2.749 -7.125 1.00 0.00 C ATOM 357 C GLU A 26 -6.894 2.181 -8.102 1.00 0.00 C ATOM 358 O GLU A 26 -7.222 1.392 -8.989 1.00 0.00 O ATOM 359 CB GLU A 26 -7.752 4.277 -6.941 1.00 0.00 C ATOM 360 CG GLU A 26 -7.711 4.744 -5.486 1.00 0.00 C ATOM 361 CD GLU A 26 -8.040 6.217 -5.327 1.00 0.00 C ATOM 362 OE1 GLU A 26 -7.444 7.042 -6.050 1.00 0.00 O ATOM 363 OE2 GLU A 26 -8.891 6.546 -4.476 1.00 0.00 O ATOM 0 H GLU A 26 -7.421 2.569 -5.097 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.930 2.599 -7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.828 4.582 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.568 4.790 -7.450 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.417 4.154 -4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.719 4.553 -5.076 1.00 0.00 H new ATOM 370 N ARG A 27 -5.650 2.619 -7.939 1.00 0.00 N ATOM 371 CA ARG A 27 -4.554 2.195 -8.812 1.00 0.00 C ATOM 372 C ARG A 27 -3.215 2.088 -8.072 1.00 0.00 C ATOM 373 O ARG A 27 -2.167 1.929 -8.705 1.00 0.00 O ATOM 374 CB ARG A 27 -4.409 3.191 -9.966 1.00 0.00 C ATOM 375 CG ARG A 27 -5.257 2.861 -11.179 1.00 0.00 C ATOM 376 CD ARG A 27 -4.950 1.476 -11.715 1.00 0.00 C ATOM 377 NE ARG A 27 -5.183 1.384 -13.153 1.00 0.00 N ATOM 378 CZ ARG A 27 -5.089 0.254 -13.849 1.00 0.00 C ATOM 379 NH1 ARG A 27 -4.768 -0.880 -13.240 1.00 0.00 N ATOM 380 NH2 ARG A 27 -5.316 0.257 -15.154 1.00 0.00 N ATOM 0 H ARG A 27 -5.372 3.272 -7.206 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.804 1.201 -9.183 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.676 4.186 -9.609 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.362 3.231 -10.268 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.312 2.923 -10.914 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.080 3.601 -11.959 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.911 1.225 -11.499 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.569 0.742 -11.199 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.433 2.237 -13.654 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.592 -0.887 -12.235 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.697 -1.745 -13.777 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.563 1.126 -15.627 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.244 -0.610 -15.686 1.00 0.00 H new ATOM 394 N LEU A 28 -3.234 2.169 -6.745 1.00 0.00 N ATOM 395 CA LEU A 28 -1.996 2.080 -5.975 1.00 0.00 C ATOM 396 C LEU A 28 -1.526 0.639 -5.821 1.00 0.00 C ATOM 397 O LEU A 28 -0.330 0.370 -5.883 1.00 0.00 O ATOM 398 CB LEU A 28 -2.162 2.728 -4.602 1.00 0.00 C ATOM 399 CG LEU A 28 -2.400 4.233 -4.643 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.358 4.654 -3.535 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.083 4.987 -4.545 1.00 0.00 C ATOM 0 H LEU A 28 -4.078 2.294 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.233 2.623 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.998 2.254 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.269 2.529 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.860 4.484 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.516 5.732 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.312 4.142 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.933 4.390 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.275 6.060 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.588 4.734 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.441 4.709 -5.381 1.00 0.00 H new ATOM 413 N PHE A 29 -2.463 -0.287 -5.627 1.00 0.00 N ATOM 414 CA PHE A 29 -2.114 -1.699 -5.470 1.00 0.00 C ATOM 415 C PHE A 29 -1.219 -2.168 -6.620 1.00 0.00 C ATOM 416 O PHE A 29 -0.195 -2.804 -6.390 1.00 0.00 O ATOM 417 CB PHE A 29 -3.378 -2.565 -5.377 1.00 0.00 C ATOM 418 CG PHE A 29 -3.218 -3.853 -4.599 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.219 -4.018 -3.643 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.087 -4.912 -4.825 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.109 -5.214 -2.946 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.974 -6.094 -4.130 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.986 -6.244 -3.191 1.00 0.00 C ATOM 0 H PHE A 29 -3.462 -0.088 -5.575 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.557 -1.809 -4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.170 -1.976 -4.915 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.709 -2.807 -6.387 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.527 -3.213 -3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.869 -4.806 -5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.330 -5.336 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.663 -6.903 -4.324 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.897 -7.171 -2.644 1.00 0.00 H new ATOM 433 N PRO A 30 -1.576 -1.834 -7.872 1.00 0.00 N ATOM 434 CA PRO A 30 -0.776 -2.205 -9.044 1.00 0.00 C ATOM 435 C PRO A 30 0.627 -1.605 -8.980 1.00 0.00 C ATOM 436 O PRO A 30 1.620 -2.284 -9.236 1.00 0.00 O ATOM 437 CB PRO A 30 -1.546 -1.602 -10.226 1.00 0.00 C ATOM 438 CG PRO A 30 -2.911 -1.303 -9.709 1.00 0.00 C ATOM 439 CD PRO A 30 -2.766 -1.058 -8.236 1.00 0.00 C ATOM 0 HA PRO A 30 -0.642 -3.284 -9.117 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.059 -0.698 -10.590 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.588 -2.300 -11.062 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.332 -0.430 -10.208 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.588 -2.136 -9.899 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.636 0.002 -8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.646 -1.392 -7.686 1.00 0.00 H new ATOM 447 N LEU A 31 0.690 -0.317 -8.647 1.00 0.00 N ATOM 448 CA LEU A 31 1.967 0.400 -8.560 1.00 0.00 C ATOM 449 C LEU A 31 2.799 -0.077 -7.368 1.00 0.00 C ATOM 450 O LEU A 31 4.009 -0.323 -7.476 1.00 0.00 O ATOM 451 CB LEU A 31 1.711 1.904 -8.437 1.00 0.00 C ATOM 452 CG LEU A 31 0.673 2.471 -9.413 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.094 3.782 -8.894 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.290 2.666 -10.788 1.00 0.00 C ATOM 0 H LEU A 31 -0.127 0.254 -8.432 1.00 0.00 H new ATOM 0 HA LEU A 31 2.529 0.193 -9.471 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.385 2.119 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.654 2.430 -8.588 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.143 1.753 -9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.639 4.163 -9.605 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.388 3.611 -7.932 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.895 4.511 -8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.541 3.069 -11.469 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.126 3.361 -10.716 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.646 1.708 -11.166 1.00 0.00 H new ATOM 466 N ILE A 32 2.138 -0.229 -6.236 1.00 0.00 N ATOM 467 CA ILE A 32 2.809 -0.690 -5.040 1.00 0.00 C ATOM 468 C ILE A 32 3.256 -2.123 -5.251 1.00 0.00 C ATOM 469 O ILE A 32 4.382 -2.480 -4.921 1.00 0.00 O ATOM 470 CB ILE A 32 1.892 -0.581 -3.808 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.670 -0.811 -2.508 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.740 -1.551 -3.931 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.317 -2.164 -2.402 1.00 0.00 C ATOM 0 H ILE A 32 1.142 -0.041 -6.122 1.00 0.00 H new ATOM 0 HA ILE A 32 3.677 -0.059 -4.852 1.00 0.00 H new ATOM 0 HB ILE A 32 1.492 0.432 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.441 -0.045 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.992 -0.679 -1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.098 -1.466 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.164 -1.320 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.126 -2.568 -4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.846 -2.241 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.552 -2.938 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.023 -2.295 -3.222 1.00 0.00 H new ATOM 485 N GLN A 33 2.383 -2.941 -5.843 1.00 0.00 N ATOM 486 CA GLN A 33 2.736 -4.324 -6.124 1.00 0.00 C ATOM 487 C GLN A 33 4.138 -4.390 -6.734 1.00 0.00 C ATOM 488 O GLN A 33 4.936 -5.260 -6.393 1.00 0.00 O ATOM 489 CB GLN A 33 1.728 -4.976 -7.076 1.00 0.00 C ATOM 490 CG GLN A 33 1.261 -6.339 -6.599 1.00 0.00 C ATOM 491 CD GLN A 33 0.677 -7.184 -7.713 1.00 0.00 C ATOM 492 OE1 GLN A 33 1.191 -7.206 -8.830 1.00 0.00 O ATOM 493 NE2 GLN A 33 -0.404 -7.891 -7.406 1.00 0.00 N ATOM 0 H GLN A 33 1.443 -2.671 -6.131 1.00 0.00 H new ATOM 0 HA GLN A 33 2.718 -4.873 -5.182 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.864 -4.320 -7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.181 -5.077 -8.062 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.101 -6.869 -6.150 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.512 -6.208 -5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.796 -7.841 -6.466 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.843 -8.484 -8.111 1.00 0.00 H new ATOM 502 N ALA A 34 4.419 -3.453 -7.644 1.00 0.00 N ATOM 503 CA ALA A 34 5.716 -3.391 -8.312 1.00 0.00 C ATOM 504 C ALA A 34 6.849 -3.217 -7.313 1.00 0.00 C ATOM 505 O ALA A 34 7.957 -3.715 -7.516 1.00 0.00 O ATOM 506 CB ALA A 34 5.737 -2.268 -9.341 1.00 0.00 C ATOM 0 H ALA A 34 3.763 -2.728 -7.933 1.00 0.00 H new ATOM 0 HA ALA A 34 5.868 -4.340 -8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.712 -2.239 -9.828 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.964 -2.445 -10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.550 -1.316 -8.844 1.00 0.00 H new ATOM 512 N MET A 35 6.565 -2.501 -6.240 1.00 0.00 N ATOM 513 CA MET A 35 7.573 -2.254 -5.203 1.00 0.00 C ATOM 514 C MET A 35 7.408 -3.202 -4.012 1.00 0.00 C ATOM 515 O MET A 35 8.352 -3.887 -3.622 1.00 0.00 O ATOM 516 CB MET A 35 7.504 -0.806 -4.719 1.00 0.00 C ATOM 517 CG MET A 35 8.008 0.198 -5.743 1.00 0.00 C ATOM 518 SD MET A 35 9.742 -0.054 -6.171 1.00 0.00 S ATOM 519 CE MET A 35 10.554 0.822 -4.837 1.00 0.00 C ATOM 0 H MET A 35 5.654 -2.080 -6.057 1.00 0.00 H new ATOM 0 HA MET A 35 8.548 -2.440 -5.653 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.472 -0.565 -4.463 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.091 -0.708 -3.806 1.00 0.00 H new ATOM 0 HG2 MET A 35 7.401 0.126 -6.646 1.00 0.00 H new ATOM 0 HG3 MET A 35 7.878 1.207 -5.351 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.635 0.756 -4.963 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.250 1.869 -4.851 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.272 0.375 -3.884 1.00 0.00 H new ATOM 529 N HIS A 36 6.207 -3.248 -3.454 1.00 0.00 N ATOM 530 CA HIS A 36 5.920 -4.126 -2.323 1.00 0.00 C ATOM 531 C HIS A 36 6.840 -3.856 -1.138 1.00 0.00 C ATOM 532 O HIS A 36 7.437 -4.783 -0.586 1.00 0.00 O ATOM 533 CB HIS A 36 6.049 -5.592 -2.731 1.00 0.00 C ATOM 534 CG HIS A 36 4.759 -6.198 -3.172 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.514 -5.683 -3.181 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.645 -7.479 -3.669 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.672 -6.648 -3.679 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.380 -7.724 -3.966 1.00 0.00 N flip ATOM 0 H HIS A 36 5.413 -2.688 -3.765 1.00 0.00 H new ATOM 0 HA HIS A 36 4.895 -3.916 -2.017 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.776 -5.674 -3.539 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.442 -6.163 -1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.462 -8.174 -3.796 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.606 -6.543 -3.813 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.014 -8.595 -4.351 1.00 0.00 H new ATOM 546 N PRO A 37 6.959 -2.600 -0.702 1.00 0.00 N ATOM 547 CA PRO A 37 7.793 -2.277 0.441 1.00 0.00 C ATOM 548 C PRO A 37 7.201 -2.869 1.716 1.00 0.00 C ATOM 549 O PRO A 37 7.724 -3.840 2.259 1.00 0.00 O ATOM 550 CB PRO A 37 7.803 -0.746 0.483 1.00 0.00 C ATOM 551 CG PRO A 37 6.599 -0.317 -0.287 1.00 0.00 C ATOM 552 CD PRO A 37 6.275 -1.420 -1.256 1.00 0.00 C ATOM 0 HA PRO A 37 8.800 -2.687 0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.763 -0.382 1.509 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.715 -0.347 0.039 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.759 -0.134 0.383 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.793 0.616 -0.817 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.200 -1.582 -1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.633 -1.187 -2.259 1.00 0.00 H new ATOM 560 N THR A 38 6.117 -2.267 2.198 1.00 0.00 N ATOM 561 CA THR A 38 5.469 -2.729 3.425 1.00 0.00 C ATOM 562 C THR A 38 4.296 -3.653 3.121 1.00 0.00 C ATOM 563 O THR A 38 4.255 -4.792 3.588 1.00 0.00 O ATOM 564 CB THR A 38 4.990 -1.538 4.272 1.00 0.00 C ATOM 565 OG1 THR A 38 3.661 -1.171 3.934 1.00 0.00 O ATOM 566 CG2 THR A 38 5.857 -0.304 4.129 1.00 0.00 C ATOM 0 H THR A 38 5.669 -1.461 1.761 1.00 0.00 H new ATOM 0 HA THR A 38 6.211 -3.292 3.992 1.00 0.00 H new ATOM 0 HB THR A 38 5.051 -1.887 5.303 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.380 -0.413 4.488 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.459 0.495 4.755 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.875 -0.536 4.441 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.862 0.019 3.088 1.00 0.00 H new ATOM 574 N LEU A 39 3.336 -3.161 2.346 1.00 0.00 N ATOM 575 CA LEU A 39 2.165 -3.954 1.999 1.00 0.00 C ATOM 576 C LEU A 39 1.347 -3.272 0.910 1.00 0.00 C ATOM 577 O LEU A 39 0.729 -2.235 1.141 1.00 0.00 O ATOM 578 CB LEU A 39 1.303 -4.183 3.244 1.00 0.00 C ATOM 579 CG LEU A 39 0.259 -5.296 3.128 1.00 0.00 C ATOM 580 CD1 LEU A 39 0.906 -6.604 2.697 1.00 0.00 C ATOM 581 CD2 LEU A 39 -0.470 -5.475 4.452 1.00 0.00 C ATOM 0 H LEU A 39 3.346 -2.222 1.948 1.00 0.00 H new ATOM 0 HA LEU A 39 2.503 -4.917 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.961 -4.412 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.790 -3.252 3.486 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.465 -5.008 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.144 -7.379 2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.385 -6.471 1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.653 -6.900 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.210 -6.270 4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.247 -5.739 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.970 -4.545 4.721 1.00 0.00 H new ATOM 593 N ALA A 40 1.342 -3.872 -0.274 1.00 0.00 N ATOM 594 CA ALA A 40 0.598 -3.348 -1.418 1.00 0.00 C ATOM 595 C ALA A 40 -0.862 -3.058 -1.078 1.00 0.00 C ATOM 596 O ALA A 40 -1.355 -1.959 -1.340 1.00 0.00 O ATOM 597 CB ALA A 40 0.722 -4.328 -2.580 1.00 0.00 C ATOM 0 H ALA A 40 1.852 -4.734 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 40 1.030 -2.390 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.170 -3.946 -3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.772 -4.445 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.312 -5.294 -2.286 1.00 0.00 H new ATOM 603 N GLY A 41 -1.558 -4.037 -0.513 1.00 0.00 N ATOM 604 CA GLY A 41 -2.959 -3.846 -0.177 1.00 0.00 C ATOM 605 C GLY A 41 -3.187 -2.744 0.840 1.00 0.00 C ATOM 606 O GLY A 41 -4.179 -2.020 0.769 1.00 0.00 O ATOM 0 H GLY A 41 -1.181 -4.956 -0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.515 -3.613 -1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.363 -4.780 0.213 1.00 0.00 H new ATOM 610 N LYS A 42 -2.279 -2.634 1.799 1.00 0.00 N ATOM 611 CA LYS A 42 -2.396 -1.630 2.854 1.00 0.00 C ATOM 612 C LYS A 42 -1.874 -0.256 2.417 1.00 0.00 C ATOM 613 O LYS A 42 -2.488 0.767 2.719 1.00 0.00 O ATOM 614 CB LYS A 42 -1.664 -2.099 4.112 1.00 0.00 C ATOM 615 CG LYS A 42 -2.588 -2.345 5.292 1.00 0.00 C ATOM 616 CD LYS A 42 -3.264 -1.061 5.743 1.00 0.00 C ATOM 617 CE LYS A 42 -3.933 -1.231 7.098 1.00 0.00 C ATOM 618 NZ LYS A 42 -5.169 -2.055 7.010 1.00 0.00 N ATOM 0 H LYS A 42 -1.452 -3.226 1.871 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.458 -1.514 3.072 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.122 -3.018 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.922 -1.351 4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.345 -3.079 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.019 -2.769 6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.527 -0.260 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.007 -0.760 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.234 -1.699 7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.179 -0.251 7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.994 -1.470 7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.276 -2.419 6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.102 -2.853 7.674 1.00 0.00 H new ATOM 632 N ILE A 43 -0.741 -0.228 1.710 1.00 0.00 N ATOM 633 CA ILE A 43 -0.163 1.035 1.251 1.00 0.00 C ATOM 634 C ILE A 43 -1.184 1.825 0.454 1.00 0.00 C ATOM 635 O ILE A 43 -1.312 3.041 0.600 1.00 0.00 O ATOM 636 CB ILE A 43 1.122 0.808 0.407 1.00 0.00 C ATOM 637 CG1 ILE A 43 2.337 1.328 1.169 1.00 0.00 C ATOM 638 CG2 ILE A 43 1.052 1.474 -0.970 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.507 0.381 1.162 1.00 0.00 C ATOM 0 H ILE A 43 -0.211 -1.058 1.446 1.00 0.00 H new ATOM 0 HA ILE A 43 0.119 1.607 2.135 1.00 0.00 H new ATOM 0 HB ILE A 43 1.211 -0.265 0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.648 2.278 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.049 1.528 2.201 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.977 1.282 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.210 1.066 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.920 2.549 -0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.333 0.819 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.214 -0.562 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.822 0.200 0.134 1.00 0.00 H new ATOM 651 N THR A 44 -1.898 1.111 -0.395 1.00 0.00 N ATOM 652 CA THR A 44 -2.910 1.709 -1.241 1.00 0.00 C ATOM 653 C THR A 44 -3.926 2.489 -0.407 1.00 0.00 C ATOM 654 O THR A 44 -4.247 3.632 -0.719 1.00 0.00 O ATOM 655 CB THR A 44 -3.586 0.599 -2.060 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.698 0.099 -3.040 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.851 1.019 -2.772 1.00 0.00 C ATOM 0 H THR A 44 -1.793 0.104 -0.517 1.00 0.00 H new ATOM 0 HA THR A 44 -2.447 2.423 -1.922 1.00 0.00 H new ATOM 0 HB THR A 44 -3.856 -0.157 -1.322 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.139 -0.603 -2.647 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.257 0.171 -3.323 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.584 1.361 -2.041 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.626 1.829 -3.466 1.00 0.00 H new ATOM 665 N GLY A 45 -4.414 1.872 0.664 1.00 0.00 N ATOM 666 CA GLY A 45 -5.384 2.534 1.521 1.00 0.00 C ATOM 667 C GLY A 45 -4.915 3.891 1.986 1.00 0.00 C ATOM 668 O GLY A 45 -5.711 4.819 2.133 1.00 0.00 O ATOM 0 H GLY A 45 -4.157 0.929 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.325 2.644 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.585 1.906 2.389 1.00 0.00 H new ATOM 672 N MET A 46 -3.619 4.007 2.212 1.00 0.00 N ATOM 673 CA MET A 46 -3.035 5.256 2.661 1.00 0.00 C ATOM 674 C MET A 46 -2.926 6.252 1.513 1.00 0.00 C ATOM 675 O MET A 46 -3.421 7.372 1.608 1.00 0.00 O ATOM 676 CB MET A 46 -1.667 5.001 3.284 1.00 0.00 C ATOM 677 CG MET A 46 -1.739 4.524 4.726 1.00 0.00 C ATOM 678 SD MET A 46 -2.525 2.912 4.903 1.00 0.00 S ATOM 679 CE MET A 46 -2.030 2.487 6.571 1.00 0.00 C ATOM 0 H MET A 46 -2.949 3.247 2.091 1.00 0.00 H new ATOM 0 HA MET A 46 -3.689 5.689 3.417 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.138 4.256 2.689 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.080 5.918 3.242 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.730 4.476 5.137 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.289 5.256 5.317 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.466 1.554 6.557 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.406 3.282 6.979 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.916 2.365 7.194 1.00 0.00 H new ATOM 689 N LEU A 47 -2.261 5.851 0.433 1.00 0.00 N ATOM 690 CA LEU A 47 -2.090 6.742 -0.702 1.00 0.00 C ATOM 691 C LEU A 47 -3.445 7.179 -1.236 1.00 0.00 C ATOM 692 O LEU A 47 -3.545 8.212 -1.897 1.00 0.00 O ATOM 693 CB LEU A 47 -1.249 6.074 -1.796 1.00 0.00 C ATOM 694 CG LEU A 47 0.227 5.816 -1.461 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.144 6.742 -2.261 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.493 5.956 0.033 1.00 0.00 C ATOM 0 H LEU A 47 -1.839 4.929 0.323 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.553 7.631 -0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.713 5.121 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.293 6.698 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 47 0.449 4.787 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.183 6.537 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.994 6.571 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.910 7.780 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.547 5.767 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.238 6.966 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.116 5.236 0.580 1.00 0.00 H new ATOM 708 N LEU A 48 -4.490 6.384 -0.971 1.00 0.00 N ATOM 709 CA LEU A 48 -5.846 6.694 -1.449 1.00 0.00 C ATOM 710 C LEU A 48 -6.352 8.062 -0.973 1.00 0.00 C ATOM 711 O LEU A 48 -7.548 8.346 -1.057 1.00 0.00 O ATOM 712 CB LEU A 48 -6.822 5.604 -0.987 1.00 0.00 C ATOM 713 CG LEU A 48 -7.484 4.800 -2.111 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.559 3.698 -2.588 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.806 4.209 -1.649 1.00 0.00 C ATOM 0 H LEU A 48 -4.424 5.522 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.795 6.728 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.288 4.913 -0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.604 6.070 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.682 5.479 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.044 3.136 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.634 4.136 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.333 3.028 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.256 3.643 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.632 3.547 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.479 5.013 -1.350 1.00 0.00 H new ATOM 727 N GLU A 49 -5.453 8.915 -0.493 1.00 0.00 N ATOM 728 CA GLU A 49 -5.827 10.240 -0.030 1.00 0.00 C ATOM 729 C GLU A 49 -6.124 11.157 -1.213 1.00 0.00 C ATOM 730 O GLU A 49 -6.563 12.291 -1.030 1.00 0.00 O ATOM 731 CB GLU A 49 -4.687 10.841 0.795 1.00 0.00 C ATOM 732 CG GLU A 49 -3.404 11.032 -0.003 1.00 0.00 C ATOM 733 CD GLU A 49 -2.702 12.339 0.318 1.00 0.00 C ATOM 734 OE1 GLU A 49 -1.869 12.351 1.249 1.00 0.00 O ATOM 735 OE2 GLU A 49 -2.985 13.346 -0.362 1.00 0.00 O ATOM 0 H GLU A 49 -4.457 8.708 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.722 10.150 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.005 11.804 1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.484 10.193 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.728 10.202 0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.635 11.001 -1.068 1.00 0.00 H new ATOM 742 N ILE A 50 -5.858 10.670 -2.427 1.00 0.00 N ATOM 743 CA ILE A 50 -6.073 11.460 -3.629 1.00 0.00 C ATOM 744 C ILE A 50 -7.264 10.936 -4.450 1.00 0.00 C ATOM 745 O ILE A 50 -7.811 9.874 -4.156 1.00 0.00 O ATOM 746 CB ILE A 50 -4.764 11.500 -4.463 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.659 12.784 -5.293 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.621 10.273 -5.345 1.00 0.00 C ATOM 749 CD1 ILE A 50 -4.970 14.043 -4.512 1.00 0.00 C ATOM 0 H ILE A 50 -5.494 9.733 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.330 12.479 -3.339 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.938 11.496 -3.752 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.651 12.860 -5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.342 12.715 -6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.693 10.339 -5.912 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.603 9.378 -4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.464 10.220 -6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.875 14.910 -5.166 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.988 13.990 -4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.271 14.137 -3.681 1.00 0.00 H new ATOM 761 N ASP A 51 -7.642 11.680 -5.491 1.00 0.00 N ATOM 762 CA ASP A 51 -8.738 11.294 -6.369 1.00 0.00 C ATOM 763 C ASP A 51 -8.332 10.144 -7.287 1.00 0.00 C ATOM 764 O ASP A 51 -7.193 10.086 -7.747 1.00 0.00 O ATOM 765 CB ASP A 51 -9.187 12.494 -7.205 1.00 0.00 C ATOM 766 CG ASP A 51 -10.672 12.462 -7.514 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.186 11.373 -7.843 1.00 0.00 O ATOM 768 OD2 ASP A 51 -11.318 13.527 -7.428 1.00 0.00 O ATOM 0 H ASP A 51 -7.197 12.562 -5.745 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.566 10.956 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.950 13.414 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.625 12.513 -8.139 1.00 0.00 H new ATOM 773 N ASN A 52 -9.269 9.243 -7.574 1.00 0.00 N ATOM 774 CA ASN A 52 -8.990 8.119 -8.470 1.00 0.00 C ATOM 775 C ASN A 52 -8.305 8.602 -9.750 1.00 0.00 C ATOM 776 O ASN A 52 -7.582 7.852 -10.403 1.00 0.00 O ATOM 777 CB ASN A 52 -10.286 7.391 -8.849 1.00 0.00 C ATOM 778 CG ASN A 52 -10.031 6.081 -9.582 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.991 5.161 -9.518 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.984 5.897 -10.204 1.00 0.00 N flip ATOM 0 H ASN A 52 -10.219 9.266 -7.204 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.329 7.434 -7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.863 7.191 -7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.893 8.042 -9.478 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.271 6.626 -10.230 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.830 5.015 -10.693 1.00 0.00 H new ATOM 787 N SER A 53 -8.558 9.858 -10.108 1.00 0.00 N ATOM 788 CA SER A 53 -7.994 10.436 -11.327 1.00 0.00 C ATOM 789 C SER A 53 -6.501 10.718 -11.204 1.00 0.00 C ATOM 790 O SER A 53 -5.782 10.723 -12.204 1.00 0.00 O ATOM 791 CB SER A 53 -8.739 11.722 -11.693 1.00 0.00 C ATOM 792 OG SER A 53 -8.589 12.034 -13.068 1.00 0.00 O ATOM 0 H SER A 53 -9.149 10.495 -9.573 1.00 0.00 H new ATOM 0 HA SER A 53 -8.119 9.697 -12.119 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.797 11.611 -11.457 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.363 12.547 -11.088 1.00 0.00 H new ATOM 0 HG SER A 53 -9.077 12.859 -13.271 1.00 0.00 H new ATOM 798 N GLU A 54 -6.032 10.958 -9.986 1.00 0.00 N ATOM 799 CA GLU A 54 -4.621 11.248 -9.771 1.00 0.00 C ATOM 800 C GLU A 54 -3.786 9.978 -9.874 1.00 0.00 C ATOM 801 O GLU A 54 -2.718 9.974 -10.482 1.00 0.00 O ATOM 802 CB GLU A 54 -4.414 11.909 -8.408 1.00 0.00 C ATOM 803 CG GLU A 54 -4.294 13.423 -8.483 1.00 0.00 C ATOM 804 CD GLU A 54 -2.865 13.905 -8.323 1.00 0.00 C ATOM 805 OE1 GLU A 54 -2.408 14.035 -7.168 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.202 14.150 -9.353 1.00 0.00 O ATOM 0 H GLU A 54 -6.602 10.958 -9.140 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.293 11.938 -10.548 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.249 11.650 -7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.513 11.503 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.684 13.767 -9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.914 13.871 -7.706 1.00 0.00 H new ATOM 813 N LEU A 55 -4.287 8.899 -9.285 1.00 0.00 N ATOM 814 CA LEU A 55 -3.591 7.618 -9.317 1.00 0.00 C ATOM 815 C LEU A 55 -3.384 7.148 -10.751 1.00 0.00 C ATOM 816 O LEU A 55 -2.377 6.518 -11.075 1.00 0.00 O ATOM 817 CB LEU A 55 -4.392 6.572 -8.560 1.00 0.00 C ATOM 818 CG LEU A 55 -3.983 6.350 -7.108 1.00 0.00 C ATOM 819 CD1 LEU A 55 -4.040 7.644 -6.333 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.904 5.345 -6.480 1.00 0.00 C ATOM 0 H LEU A 55 -5.173 8.885 -8.779 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.618 7.751 -8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.443 6.859 -8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.310 5.623 -9.091 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.958 5.979 -7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.744 7.463 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.361 8.368 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.056 8.037 -6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.614 5.184 -5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.928 5.717 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.840 4.403 -7.024 1.00 0.00 H new ATOM 832 N LEU A 56 -4.351 7.458 -11.606 1.00 0.00 N ATOM 833 CA LEU A 56 -4.281 7.071 -13.006 1.00 0.00 C ATOM 834 C LEU A 56 -3.096 7.751 -13.683 1.00 0.00 C ATOM 835 O LEU A 56 -2.344 7.119 -14.425 1.00 0.00 O ATOM 836 CB LEU A 56 -5.580 7.425 -13.729 1.00 0.00 C ATOM 837 CG LEU A 56 -6.514 6.239 -13.987 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.631 6.200 -12.954 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.086 6.307 -15.395 1.00 0.00 C ATOM 0 H LEU A 56 -5.192 7.976 -11.353 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.143 5.991 -13.058 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.116 8.170 -13.141 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.333 7.890 -14.684 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.935 5.320 -13.896 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.283 5.350 -13.155 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.201 6.100 -11.957 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.209 7.122 -13.009 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.747 5.456 -15.561 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.649 7.233 -15.515 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.272 6.281 -16.120 1.00 0.00 H new ATOM 851 N HIS A 57 -2.932 9.039 -13.407 1.00 0.00 N ATOM 852 CA HIS A 57 -1.831 9.809 -13.974 1.00 0.00 C ATOM 853 C HIS A 57 -0.496 9.193 -13.583 1.00 0.00 C ATOM 854 O HIS A 57 0.400 9.036 -14.413 1.00 0.00 O ATOM 855 CB HIS A 57 -1.896 11.255 -13.481 1.00 0.00 C ATOM 856 CG HIS A 57 -2.926 12.081 -14.181 1.00 0.00 C ATOM 857 ND1 HIS A 57 -3.069 12.106 -15.551 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.873 12.917 -13.692 1.00 0.00 C ATOM 859 CE1 HIS A 57 -4.056 12.919 -15.877 1.00 0.00 C ATOM 860 NE2 HIS A 57 -4.562 13.423 -14.765 1.00 0.00 N ATOM 0 H HIS A 57 -3.548 9.573 -12.794 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.921 9.795 -15.060 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.107 11.256 -12.412 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.919 11.719 -13.613 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.052 13.143 -12.651 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.392 13.135 -16.880 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.339 14.082 -14.713 1.00 0.00 H new ATOM 868 N MET A 58 -0.378 8.845 -12.309 1.00 0.00 N ATOM 869 CA MET A 58 0.836 8.242 -11.780 1.00 0.00 C ATOM 870 C MET A 58 1.163 6.944 -12.511 1.00 0.00 C ATOM 871 O MET A 58 2.301 6.714 -12.918 1.00 0.00 O ATOM 872 CB MET A 58 0.667 7.977 -10.284 1.00 0.00 C ATOM 873 CG MET A 58 0.144 9.174 -9.502 1.00 0.00 C ATOM 874 SD MET A 58 0.916 10.733 -9.986 1.00 0.00 S ATOM 875 CE MET A 58 -0.500 11.830 -10.015 1.00 0.00 C ATOM 0 H MET A 58 -1.117 8.972 -11.617 1.00 0.00 H new ATOM 0 HA MET A 58 1.664 8.934 -11.934 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.017 7.139 -10.148 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.628 7.675 -9.867 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.934 9.250 -9.645 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.314 9.007 -8.438 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.187 12.835 -9.732 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.924 11.851 -11.019 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.252 11.472 -9.311 1.00 0.00 H new ATOM 885 N LEU A 59 0.155 6.095 -12.664 1.00 0.00 N ATOM 886 CA LEU A 59 0.333 4.810 -13.329 1.00 0.00 C ATOM 887 C LEU A 59 0.823 5.004 -14.763 1.00 0.00 C ATOM 888 O LEU A 59 1.486 4.132 -15.325 1.00 0.00 O ATOM 889 CB LEU A 59 -0.985 4.028 -13.305 1.00 0.00 C ATOM 890 CG LEU A 59 -1.125 2.917 -14.356 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.490 1.598 -13.697 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.167 3.304 -15.395 1.00 0.00 C ATOM 0 H LEU A 59 -0.795 6.273 -12.337 1.00 0.00 H new ATOM 0 HA LEU A 59 1.091 4.239 -12.794 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.103 3.584 -12.317 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.806 4.733 -13.438 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.165 2.791 -14.857 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.584 0.824 -14.459 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.710 1.317 -12.989 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.438 1.705 -13.169 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.257 2.508 -16.134 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.129 3.455 -14.906 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.862 4.226 -15.890 1.00 0.00 H new ATOM 904 N GLU A 60 0.519 6.159 -15.342 1.00 0.00 N ATOM 905 CA GLU A 60 0.956 6.461 -16.700 1.00 0.00 C ATOM 906 C GLU A 60 2.283 7.222 -16.689 1.00 0.00 C ATOM 907 O GLU A 60 2.881 7.459 -17.738 1.00 0.00 O ATOM 908 CB GLU A 60 -0.111 7.273 -17.436 1.00 0.00 C ATOM 909 CG GLU A 60 -1.362 6.474 -17.766 1.00 0.00 C ATOM 910 CD GLU A 60 -2.642 7.203 -17.398 1.00 0.00 C ATOM 911 OE1 GLU A 60 -2.563 8.389 -17.014 1.00 0.00 O ATOM 912 OE2 GLU A 60 -3.724 6.585 -17.492 1.00 0.00 O ATOM 0 H GLU A 60 -0.025 6.898 -14.896 1.00 0.00 H new ATOM 0 HA GLU A 60 1.105 5.518 -17.225 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.389 8.131 -16.824 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.315 7.664 -18.360 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.372 6.248 -18.832 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.328 5.521 -17.238 1.00 0.00 H new ATOM 919 N SER A 61 2.742 7.601 -15.494 1.00 0.00 N ATOM 920 CA SER A 61 3.996 8.330 -15.346 1.00 0.00 C ATOM 921 C SER A 61 4.769 7.839 -14.119 1.00 0.00 C ATOM 922 O SER A 61 4.514 8.280 -12.999 1.00 0.00 O ATOM 923 CB SER A 61 3.722 9.832 -15.221 1.00 0.00 C ATOM 924 OG SER A 61 4.383 10.557 -16.244 1.00 0.00 O ATOM 0 H SER A 61 2.260 7.413 -14.615 1.00 0.00 H new ATOM 0 HA SER A 61 4.602 8.149 -16.233 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.649 10.015 -15.276 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.056 10.186 -14.246 1.00 0.00 H new ATOM 0 HG SER A 61 4.805 11.354 -15.860 1.00 0.00 H new ATOM 930 N PRO A 62 5.728 6.915 -14.316 1.00 0.00 N ATOM 931 CA PRO A 62 6.536 6.368 -13.219 1.00 0.00 C ATOM 932 C PRO A 62 7.161 7.458 -12.351 1.00 0.00 C ATOM 933 O PRO A 62 7.346 7.278 -11.147 1.00 0.00 O ATOM 934 CB PRO A 62 7.626 5.577 -13.942 1.00 0.00 C ATOM 935 CG PRO A 62 7.017 5.201 -15.249 1.00 0.00 C ATOM 936 CD PRO A 62 6.100 6.331 -15.620 1.00 0.00 C ATOM 0 HA PRO A 62 5.935 5.770 -12.534 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.524 6.178 -14.082 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.918 4.695 -13.373 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.784 5.056 -16.009 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.467 4.263 -15.168 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.599 7.060 -16.259 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.225 5.976 -16.165 1.00 0.00 H new ATOM 944 N GLU A 63 7.489 8.584 -12.974 1.00 0.00 N ATOM 945 CA GLU A 63 8.102 9.708 -12.270 1.00 0.00 C ATOM 946 C GLU A 63 7.230 10.178 -11.110 1.00 0.00 C ATOM 947 O GLU A 63 7.681 10.244 -9.966 1.00 0.00 O ATOM 948 CB GLU A 63 8.343 10.868 -13.237 1.00 0.00 C ATOM 949 CG GLU A 63 7.141 11.194 -14.113 1.00 0.00 C ATOM 950 CD GLU A 63 6.379 12.416 -13.635 1.00 0.00 C ATOM 951 OE1 GLU A 63 6.735 12.962 -12.570 1.00 0.00 O ATOM 952 OE2 GLU A 63 5.424 12.827 -14.329 1.00 0.00 O ATOM 0 H GLU A 63 7.340 8.745 -13.970 1.00 0.00 H new ATOM 0 HA GLU A 63 9.055 9.368 -11.866 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.616 11.755 -12.666 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.192 10.626 -13.876 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.477 11.359 -15.137 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.468 10.337 -14.133 1.00 0.00 H new ATOM 959 N SER A 64 5.978 10.502 -11.411 1.00 0.00 N ATOM 960 CA SER A 64 5.038 10.965 -10.403 1.00 0.00 C ATOM 961 C SER A 64 4.564 9.795 -9.558 1.00 0.00 C ATOM 962 O SER A 64 4.263 9.938 -8.376 1.00 0.00 O ATOM 963 CB SER A 64 3.846 11.646 -11.078 1.00 0.00 C ATOM 964 OG SER A 64 3.202 12.547 -10.194 1.00 0.00 O ATOM 0 H SER A 64 5.590 10.451 -12.353 1.00 0.00 H new ATOM 0 HA SER A 64 5.536 11.686 -9.755 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.184 12.182 -11.965 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.135 10.891 -11.414 1.00 0.00 H new ATOM 0 HG SER A 64 2.502 12.074 -9.697 1.00 0.00 H new ATOM 970 N LEU A 65 4.482 8.635 -10.191 1.00 0.00 N ATOM 971 CA LEU A 65 4.032 7.435 -9.522 1.00 0.00 C ATOM 972 C LEU A 65 4.901 7.132 -8.317 1.00 0.00 C ATOM 973 O LEU A 65 4.413 7.090 -7.189 1.00 0.00 O ATOM 974 CB LEU A 65 4.041 6.256 -10.500 1.00 0.00 C ATOM 975 CG LEU A 65 3.979 4.856 -9.876 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.380 4.327 -9.607 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.160 4.864 -8.595 1.00 0.00 C ATOM 0 H LEU A 65 4.724 8.504 -11.173 1.00 0.00 H new ATOM 0 HA LEU A 65 3.012 7.595 -9.171 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.194 6.367 -11.177 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.945 6.321 -11.106 1.00 0.00 H new ATOM 0 HG LEU A 65 3.488 4.193 -10.588 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.315 3.333 -9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.934 4.271 -10.544 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.896 4.997 -8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.133 3.859 -8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.615 5.546 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.144 5.193 -8.815 1.00 0.00 H new ATOM 989 N ARG A 66 6.183 6.912 -8.551 1.00 0.00 N ATOM 990 CA ARG A 66 7.091 6.601 -7.459 1.00 0.00 C ATOM 991 C ARG A 66 7.091 7.717 -6.421 1.00 0.00 C ATOM 992 O ARG A 66 7.277 7.467 -5.236 1.00 0.00 O ATOM 993 CB ARG A 66 8.506 6.363 -7.987 1.00 0.00 C ATOM 994 CG ARG A 66 8.683 5.011 -8.660 1.00 0.00 C ATOM 995 CD ARG A 66 9.403 5.130 -9.995 1.00 0.00 C ATOM 996 NE ARG A 66 10.708 4.476 -9.970 1.00 0.00 N ATOM 997 CZ ARG A 66 11.795 5.011 -9.418 1.00 0.00 C ATOM 998 NH1 ARG A 66 11.745 6.222 -8.877 1.00 0.00 N ATOM 999 NH2 ARG A 66 12.936 4.336 -9.416 1.00 0.00 N ATOM 0 H ARG A 66 6.615 6.942 -9.474 1.00 0.00 H new ATOM 0 HA ARG A 66 6.743 5.687 -6.979 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.757 7.150 -8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.212 6.444 -7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.246 4.349 -8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.706 4.552 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.790 4.686 -10.779 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.529 6.183 -10.247 1.00 0.00 H new ATOM 0 HE ARG A 66 10.792 3.555 -10.401 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.871 6.747 -8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.581 6.627 -8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.980 3.408 -9.837 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.770 4.745 -8.993 1.00 0.00 H new ATOM 1013 N SER A 67 6.874 8.944 -6.876 1.00 0.00 N ATOM 1014 CA SER A 67 6.846 10.101 -5.986 1.00 0.00 C ATOM 1015 C SER A 67 5.898 9.896 -4.805 1.00 0.00 C ATOM 1016 O SER A 67 6.255 10.159 -3.657 1.00 0.00 O ATOM 1017 CB SER A 67 6.422 11.344 -6.765 1.00 0.00 C ATOM 1018 OG SER A 67 7.413 11.729 -7.703 1.00 0.00 O ATOM 0 H SER A 67 6.714 9.166 -7.859 1.00 0.00 H new ATOM 0 HA SER A 67 7.853 10.230 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.484 11.148 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.237 12.164 -6.072 1.00 0.00 H new ATOM 0 HG SER A 67 7.359 11.150 -8.492 1.00 0.00 H new ATOM 1024 N LYS A 68 4.684 9.441 -5.096 1.00 0.00 N ATOM 1025 CA LYS A 68 3.681 9.226 -4.055 1.00 0.00 C ATOM 1026 C LYS A 68 3.940 7.939 -3.284 1.00 0.00 C ATOM 1027 O LYS A 68 3.945 7.931 -2.052 1.00 0.00 O ATOM 1028 CB LYS A 68 2.275 9.185 -4.662 1.00 0.00 C ATOM 1029 CG LYS A 68 2.081 10.121 -5.848 1.00 0.00 C ATOM 1030 CD LYS A 68 0.891 11.047 -5.638 1.00 0.00 C ATOM 1031 CE LYS A 68 0.814 12.124 -6.707 1.00 0.00 C ATOM 1032 NZ LYS A 68 -0.022 13.278 -6.276 1.00 0.00 N ATOM 0 H LYS A 68 4.370 9.214 -6.040 1.00 0.00 H new ATOM 0 HA LYS A 68 3.752 10.063 -3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.057 8.165 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.550 9.440 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.983 10.714 -5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.932 9.535 -6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.029 10.463 -5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.964 11.515 -4.656 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.819 12.473 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.401 11.698 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.993 13.154 -6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.034 13.329 -5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.376 14.158 -6.661 1.00 0.00 H new ATOM 1046 N VAL A 69 4.154 6.854 -4.012 1.00 0.00 N ATOM 1047 CA VAL A 69 4.413 5.561 -3.398 1.00 0.00 C ATOM 1048 C VAL A 69 5.635 5.613 -2.493 1.00 0.00 C ATOM 1049 O VAL A 69 5.575 5.205 -1.333 1.00 0.00 O ATOM 1050 CB VAL A 69 4.631 4.480 -4.464 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.784 3.112 -3.813 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.486 4.495 -5.463 1.00 0.00 C ATOM 0 H VAL A 69 4.153 6.843 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 69 3.536 5.311 -2.801 1.00 0.00 H new ATOM 0 HB VAL A 69 5.554 4.693 -5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.938 2.357 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.641 3.123 -3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.882 2.875 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.650 3.724 -6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.547 4.301 -4.944 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.438 5.470 -5.947 1.00 0.00 H new ATOM 1062 N ASP A 70 6.744 6.119 -3.027 1.00 0.00 N ATOM 1063 CA ASP A 70 7.982 6.222 -2.255 1.00 0.00 C ATOM 1064 C ASP A 70 7.685 6.833 -0.899 1.00 0.00 C ATOM 1065 O ASP A 70 7.983 6.251 0.143 1.00 0.00 O ATOM 1066 CB ASP A 70 9.019 7.084 -2.985 1.00 0.00 C ATOM 1067 CG ASP A 70 10.284 6.320 -3.319 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.294 5.612 -4.346 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.264 6.434 -2.554 1.00 0.00 O ATOM 0 H ASP A 70 6.812 6.462 -3.985 1.00 0.00 H new ATOM 0 HA ASP A 70 8.392 5.220 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.580 7.472 -3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.272 7.944 -2.365 1.00 0.00 H new ATOM 1074 N GLU A 71 7.093 8.016 -0.931 1.00 0.00 N ATOM 1075 CA GLU A 71 6.744 8.723 0.286 1.00 0.00 C ATOM 1076 C GLU A 71 5.954 7.819 1.221 1.00 0.00 C ATOM 1077 O GLU A 71 6.278 7.710 2.400 1.00 0.00 O ATOM 1078 CB GLU A 71 5.969 9.987 -0.060 1.00 0.00 C ATOM 1079 CG GLU A 71 6.839 11.235 -0.063 1.00 0.00 C ATOM 1080 CD GLU A 71 8.185 11.029 -0.728 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.221 10.414 -1.814 1.00 0.00 O ATOM 1082 OE2 GLU A 71 9.201 11.489 -0.168 1.00 0.00 O ATOM 0 H GLU A 71 6.844 8.506 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 71 7.655 9.014 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.510 9.868 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.158 10.117 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.308 12.038 -0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.996 11.562 0.965 1.00 0.00 H new ATOM 1089 N ALA A 72 4.933 7.150 0.687 1.00 0.00 N ATOM 1090 CA ALA A 72 4.119 6.236 1.485 1.00 0.00 C ATOM 1091 C ALA A 72 5.000 5.362 2.359 1.00 0.00 C ATOM 1092 O ALA A 72 4.772 5.214 3.558 1.00 0.00 O ATOM 1093 CB ALA A 72 3.298 5.343 0.576 1.00 0.00 C ATOM 0 H ALA A 72 4.651 7.223 -0.291 1.00 0.00 H new ATOM 0 HA ALA A 72 3.460 6.833 2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.695 4.665 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.644 5.957 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.964 4.764 -0.063 1.00 0.00 H new ATOM 1099 N VAL A 73 6.004 4.785 1.726 1.00 0.00 N ATOM 1100 CA VAL A 73 6.941 3.913 2.408 1.00 0.00 C ATOM 1101 C VAL A 73 7.569 4.609 3.611 1.00 0.00 C ATOM 1102 O VAL A 73 7.700 4.017 4.678 1.00 0.00 O ATOM 1103 CB VAL A 73 8.048 3.431 1.449 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.875 2.330 2.092 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.445 2.957 0.131 1.00 0.00 C ATOM 0 H VAL A 73 6.192 4.906 0.731 1.00 0.00 H new ATOM 0 HA VAL A 73 6.379 3.048 2.760 1.00 0.00 H new ATOM 0 HB VAL A 73 8.710 4.271 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.650 2.005 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.339 2.708 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.230 1.486 2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.241 2.621 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.758 2.132 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.904 3.779 -0.338 1.00 0.00 H new ATOM 1115 N ALA A 74 7.952 5.868 3.440 1.00 0.00 N ATOM 1116 CA ALA A 74 8.553 6.626 4.527 1.00 0.00 C ATOM 1117 C ALA A 74 7.507 7.025 5.565 1.00 0.00 C ATOM 1118 O ALA A 74 7.686 6.790 6.757 1.00 0.00 O ATOM 1119 CB ALA A 74 9.270 7.857 3.992 1.00 0.00 C ATOM 0 H ALA A 74 7.858 6.382 2.564 1.00 0.00 H new ATOM 0 HA ALA A 74 9.286 5.984 5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.712 8.410 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.055 7.549 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.557 8.495 3.470 1.00 0.00 H new ATOM 1125 N VAL A 75 6.423 7.640 5.102 1.00 0.00 N ATOM 1126 CA VAL A 75 5.351 8.089 5.989 1.00 0.00 C ATOM 1127 C VAL A 75 4.610 6.925 6.624 1.00 0.00 C ATOM 1128 O VAL A 75 4.608 6.760 7.839 1.00 0.00 O ATOM 1129 CB VAL A 75 4.331 8.977 5.243 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.891 8.378 3.914 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.127 9.290 6.122 1.00 0.00 C ATOM 0 H VAL A 75 6.262 7.840 4.115 1.00 0.00 H new ATOM 0 HA VAL A 75 5.835 8.671 6.773 1.00 0.00 H new ATOM 0 HB VAL A 75 4.844 9.911 5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.175 9.045 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.759 8.251 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.424 7.409 4.089 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.426 9.917 5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.635 8.361 6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.457 9.817 7.017 1.00 0.00 H new ATOM 1141 N LEU A 76 3.958 6.146 5.787 1.00 0.00 N ATOM 1142 CA LEU A 76 3.170 5.003 6.243 1.00 0.00 C ATOM 1143 C LEU A 76 3.968 4.122 7.192 1.00 0.00 C ATOM 1144 O LEU A 76 3.552 3.865 8.321 1.00 0.00 O ATOM 1145 CB LEU A 76 2.712 4.172 5.050 1.00 0.00 C ATOM 1146 CG LEU A 76 1.444 3.356 5.278 1.00 0.00 C ATOM 1147 CD1 LEU A 76 0.923 2.814 3.958 1.00 0.00 C ATOM 1148 CD2 LEU A 76 1.700 2.219 6.256 1.00 0.00 C ATOM 0 H LEU A 76 3.954 6.279 4.776 1.00 0.00 H new ATOM 0 HA LEU A 76 2.303 5.392 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.549 4.839 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.517 3.493 4.770 1.00 0.00 H new ATOM 0 HG LEU A 76 0.688 4.011 5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.018 2.233 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.697 3.643 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.680 2.176 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.781 1.651 6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.472 1.562 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.030 2.628 7.211 1.00 0.00 H new ATOM 1160 N GLN A 77 5.118 3.666 6.722 1.00 0.00 N ATOM 1161 CA GLN A 77 5.972 2.816 7.536 1.00 0.00 C ATOM 1162 C GLN A 77 6.202 3.471 8.902 1.00 0.00 C ATOM 1163 O GLN A 77 6.301 2.792 9.924 1.00 0.00 O ATOM 1164 CB GLN A 77 7.307 2.560 6.841 1.00 0.00 C ATOM 1165 CG GLN A 77 8.133 1.468 7.499 1.00 0.00 C ATOM 1166 CD GLN A 77 7.869 0.101 6.901 1.00 0.00 C ATOM 1167 OE1 GLN A 77 8.621 -0.372 6.048 1.00 0.00 O ATOM 1168 NE2 GLN A 77 6.795 -0.542 7.345 1.00 0.00 N ATOM 0 H GLN A 77 5.479 3.868 5.790 1.00 0.00 H new ATOM 0 HA GLN A 77 5.475 1.856 7.676 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.120 2.287 5.802 1.00 0.00 H new ATOM 0 HB3 GLN A 77 7.885 3.484 6.829 1.00 0.00 H new ATOM 0 HG2 GLN A 77 9.192 1.707 7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.912 1.443 8.566 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.200 -0.112 8.053 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.566 -1.466 6.978 1.00 0.00 H new ATOM 1177 N ALA A 78 6.274 4.806 8.902 1.00 0.00 N ATOM 1178 CA ALA A 78 6.477 5.577 10.129 1.00 0.00 C ATOM 1179 C ALA A 78 5.168 5.765 10.897 1.00 0.00 C ATOM 1180 O ALA A 78 5.101 5.507 12.098 1.00 0.00 O ATOM 1181 CB ALA A 78 7.090 6.933 9.805 1.00 0.00 C ATOM 0 H ALA A 78 6.194 5.376 8.060 1.00 0.00 H new ATOM 0 HA ALA A 78 7.162 5.015 10.764 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.236 7.496 10.727 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.051 6.789 9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.422 7.486 9.144 1.00 0.00 H new ATOM 1187 N HIS A 79 4.135 6.225 10.193 1.00 0.00 N ATOM 1188 CA HIS A 79 2.827 6.462 10.801 1.00 0.00 C ATOM 1189 C HIS A 79 2.047 5.159 10.984 1.00 0.00 C ATOM 1190 O HIS A 79 0.845 5.181 11.246 1.00 0.00 O ATOM 1191 CB HIS A 79 2.018 7.449 9.948 1.00 0.00 C ATOM 1192 CG HIS A 79 2.130 8.869 10.416 1.00 0.00 C ATOM 1193 ND1 HIS A 79 2.628 9.969 9.801 1.00 0.00 N flip ATOM 1194 CD2 HIS A 79 1.703 9.290 11.656 1.00 0.00 C flip ATOM 1195 CE1 HIS A 79 2.492 11.020 10.674 1.00 0.00 C flip ATOM 1196 NE2 HIS A 79 1.930 10.586 11.787 1.00 0.00 N flip ATOM 0 H HIS A 79 4.179 6.442 9.197 1.00 0.00 H new ATOM 0 HA HIS A 79 2.992 6.892 11.789 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.357 7.387 8.914 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.969 7.152 9.958 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.252 8.658 12.407 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.796 12.038 10.481 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.709 11.152 12.606 1.00 0.00 H new ATOM 1204 N GLN A 80 2.738 4.027 10.856 1.00 0.00 N ATOM 1205 CA GLN A 80 2.113 2.722 11.018 1.00 0.00 C ATOM 1206 C GLN A 80 1.750 2.471 12.481 1.00 0.00 C ATOM 1207 O GLN A 80 0.929 1.608 12.785 1.00 0.00 O ATOM 1208 CB GLN A 80 3.059 1.627 10.520 1.00 0.00 C ATOM 1209 CG GLN A 80 2.353 0.343 10.117 1.00 0.00 C ATOM 1210 CD GLN A 80 3.283 -0.855 10.109 1.00 0.00 C ATOM 1211 OE1 GLN A 80 3.517 -1.480 11.142 1.00 0.00 O ATOM 1212 NE2 GLN A 80 3.819 -1.180 8.938 1.00 0.00 N ATOM 0 H GLN A 80 3.734 3.991 10.640 1.00 0.00 H new ATOM 0 HA GLN A 80 1.196 2.703 10.429 1.00 0.00 H new ATOM 0 HB2 GLN A 80 3.620 2.006 9.666 1.00 0.00 H new ATOM 0 HB3 GLN A 80 3.783 1.402 11.303 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.529 0.154 10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.918 0.468 9.125 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.597 -0.633 8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.453 -1.976 8.871 1.00 0.00 H new ATOM 1221 N ALA A 81 2.368 3.234 13.383 1.00 0.00 N ATOM 1222 CA ALA A 81 2.110 3.093 14.811 1.00 0.00 C ATOM 1223 C ALA A 81 2.021 4.457 15.493 1.00 0.00 C ATOM 1224 O ALA A 81 2.963 4.892 16.153 1.00 0.00 O ATOM 1225 CB ALA A 81 3.196 2.245 15.459 1.00 0.00 C ATOM 0 H ALA A 81 3.050 3.955 13.147 1.00 0.00 H new ATOM 0 HA ALA A 81 1.149 2.593 14.935 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.993 2.147 16.525 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.209 1.257 14.999 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.165 2.724 15.317 1.00 0.00 H new ATOM 1231 N LYS A 82 0.881 5.122 15.330 1.00 0.00 N ATOM 1232 CA LYS A 82 0.671 6.434 15.932 1.00 0.00 C ATOM 1233 C LYS A 82 0.778 6.356 17.453 1.00 0.00 C ATOM 1234 O LYS A 82 1.339 7.247 18.092 1.00 0.00 O ATOM 1235 CB LYS A 82 -0.697 6.991 15.528 1.00 0.00 C ATOM 1236 CG LYS A 82 -0.688 7.703 14.186 1.00 0.00 C ATOM 1237 CD LYS A 82 -2.092 8.092 13.752 1.00 0.00 C ATOM 1238 CE LYS A 82 -2.426 9.518 14.158 1.00 0.00 C ATOM 1239 NZ LYS A 82 -3.382 10.157 13.212 1.00 0.00 N ATOM 0 H LYS A 82 0.090 4.775 14.787 1.00 0.00 H new ATOM 0 HA LYS A 82 1.448 7.105 15.566 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.417 6.174 15.492 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.040 7.684 16.296 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.066 8.596 14.251 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.239 7.056 13.433 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.181 7.990 12.670 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.814 7.407 14.197 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.853 9.519 15.161 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.510 10.107 14.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.583 11.128 13.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.965 10.180 12.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.266 9.610 13.190 1.00 0.00 H new ATOM 1253 N GLU A 83 0.243 5.283 18.026 1.00 0.00 N ATOM 1254 CA GLU A 83 0.284 5.083 19.470 1.00 0.00 C ATOM 1255 C GLU A 83 1.618 4.463 19.884 1.00 0.00 C ATOM 1256 O GLU A 83 2.360 3.956 19.043 1.00 0.00 O ATOM 1257 CB GLU A 83 -0.876 4.187 19.914 1.00 0.00 C ATOM 1258 CG GLU A 83 -2.027 4.949 20.555 1.00 0.00 C ATOM 1259 CD GLU A 83 -1.593 5.753 21.764 1.00 0.00 C ATOM 1260 OE1 GLU A 83 -0.853 5.203 22.607 1.00 0.00 O ATOM 1261 OE2 GLU A 83 -1.995 6.931 21.870 1.00 0.00 O ATOM 0 H GLU A 83 -0.225 4.537 17.511 1.00 0.00 H new ATOM 0 HA GLU A 83 0.185 6.053 19.958 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.251 3.639 19.050 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.502 3.448 20.622 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.469 5.619 19.818 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.804 4.244 20.852 1.00 0.00 H new ATOM 1268 N ALA A 84 1.922 4.507 21.179 1.00 0.00 N ATOM 1269 CA ALA A 84 3.172 3.947 21.683 1.00 0.00 C ATOM 1270 C ALA A 84 3.266 2.458 21.387 1.00 0.00 C ATOM 1271 O ALA A 84 2.269 1.811 21.063 1.00 0.00 O ATOM 1272 CB ALA A 84 3.310 4.190 23.180 1.00 0.00 C ATOM 0 H ALA A 84 1.324 4.922 21.894 1.00 0.00 H new ATOM 0 HA ALA A 84 3.989 4.453 21.169 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.249 3.764 23.533 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.301 5.262 23.377 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.478 3.718 23.703 1.00 0.00 H new ATOM 1278 N ALA A 85 4.472 1.917 21.512 1.00 0.00 N ATOM 1279 CA ALA A 85 4.704 0.500 21.268 1.00 0.00 C ATOM 1280 C ALA A 85 4.388 -0.339 22.508 1.00 0.00 C ATOM 1281 O ALA A 85 4.691 -1.532 22.551 1.00 0.00 O ATOM 1282 CB ALA A 85 6.141 0.274 20.821 1.00 0.00 C ATOM 0 H ALA A 85 5.305 2.440 21.781 1.00 0.00 H new ATOM 0 HA ALA A 85 4.031 0.179 20.473 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.303 -0.789 20.641 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.328 0.830 19.902 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.822 0.619 21.599 1.00 0.00 H new ATOM 1288 N GLN A 86 3.778 0.286 23.514 1.00 0.00 N ATOM 1289 CA GLN A 86 3.425 -0.409 24.745 1.00 0.00 C ATOM 1290 C GLN A 86 2.085 -1.121 24.596 1.00 0.00 C ATOM 1291 O GLN A 86 1.081 -0.507 24.235 1.00 0.00 O ATOM 1292 CB GLN A 86 3.363 0.581 25.914 1.00 0.00 C ATOM 1293 CG GLN A 86 4.452 0.368 26.956 1.00 0.00 C ATOM 1294 CD GLN A 86 3.894 0.047 28.330 1.00 0.00 C ATOM 1295 OE1 GLN A 86 3.514 -1.091 28.609 1.00 0.00 O ATOM 1296 NE2 GLN A 86 3.839 1.051 29.198 1.00 0.00 N ATOM 0 H GLN A 86 3.519 1.272 23.498 1.00 0.00 H new ATOM 0 HA GLN A 86 4.194 -1.154 24.950 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.440 1.596 25.523 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.389 0.498 26.397 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.103 -0.445 26.634 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.069 1.265 27.019 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.164 1.979 28.926 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.471 0.894 30.136 1.00 0.00 H new ATOM 1305 N LYS A 87 2.073 -2.417 24.883 1.00 0.00 N ATOM 1306 CA LYS A 87 0.853 -3.207 24.787 1.00 0.00 C ATOM 1307 C LYS A 87 0.161 -3.290 26.142 1.00 0.00 C ATOM 1308 O LYS A 87 -1.050 -3.497 26.222 1.00 0.00 O ATOM 1309 CB LYS A 87 1.159 -4.612 24.274 1.00 0.00 C ATOM 1310 CG LYS A 87 1.318 -4.685 22.766 1.00 0.00 C ATOM 1311 CD LYS A 87 2.332 -5.744 22.365 1.00 0.00 C ATOM 1312 CE LYS A 87 3.303 -5.220 21.320 1.00 0.00 C ATOM 1313 NZ LYS A 87 4.253 -6.272 20.868 1.00 0.00 N ATOM 0 H LYS A 87 2.894 -2.942 25.184 1.00 0.00 H new ATOM 0 HA LYS A 87 0.186 -2.713 24.080 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.074 -4.971 24.746 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.357 -5.284 24.580 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.355 -4.910 22.308 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.634 -3.714 22.385 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.885 -6.071 23.245 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.811 -6.618 21.973 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.745 -4.842 20.463 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.861 -4.380 21.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.898 -5.874 20.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.804 -6.615 21.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.722 -7.063 20.451 1.00 0.00 H new ATOM 1327 N ALA A 88 0.939 -3.124 27.206 1.00 0.00 N ATOM 1328 CA ALA A 88 0.404 -3.174 28.559 1.00 0.00 C ATOM 1329 C ALA A 88 -0.126 -1.811 28.990 1.00 0.00 C ATOM 1330 O ALA A 88 0.036 -1.411 30.144 1.00 0.00 O ATOM 1331 CB ALA A 88 1.472 -3.659 29.530 1.00 0.00 C ATOM 0 H ALA A 88 1.943 -2.954 27.156 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.428 -3.878 28.569 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.059 -3.692 30.538 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.801 -4.657 29.240 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.321 -2.976 29.508 1.00 0.00 H new ATOM 1337 N VAL A 89 -0.769 -1.105 28.063 1.00 0.00 N ATOM 1338 CA VAL A 89 -1.331 0.207 28.358 1.00 0.00 C ATOM 1339 C VAL A 89 -2.698 0.072 29.018 1.00 0.00 C ATOM 1340 O VAL A 89 -3.679 0.672 28.576 1.00 0.00 O ATOM 1341 CB VAL A 89 -1.467 1.070 27.086 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -0.098 1.468 26.558 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.267 0.338 26.020 1.00 0.00 C ATOM 0 H VAL A 89 -0.913 -1.420 27.104 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.641 0.702 29.041 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.007 1.980 27.348 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.217 2.076 25.661 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.432 2.042 27.318 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.473 0.572 26.316 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.350 0.965 25.133 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.762 -0.592 25.761 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.264 0.116 26.402 1.00 0.00 H new ATOM 1353 N ASN A 90 -2.756 -0.720 30.084 1.00 0.00 N ATOM 1354 CA ASN A 90 -3.998 -0.935 30.811 1.00 0.00 C ATOM 1355 C ASN A 90 -4.131 0.058 31.963 1.00 0.00 C ATOM 1356 O ASN A 90 -4.927 -0.144 32.880 1.00 0.00 O ATOM 1357 CB ASN A 90 -4.058 -2.365 31.345 1.00 0.00 C ATOM 1358 CG ASN A 90 -2.823 -2.735 32.147 1.00 0.00 C ATOM 1359 OD1 ASN A 90 -1.861 -1.971 32.213 1.00 0.00 O ATOM 1360 ND2 ASN A 90 -2.848 -3.912 32.760 1.00 0.00 N ATOM 0 H ASN A 90 -1.954 -1.224 30.463 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.827 -0.778 30.121 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.943 -2.479 31.972 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.167 -3.057 30.510 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.047 -4.216 33.314 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.668 -4.513 32.677 1.00 0.00 H new ATOM 1367 N SER A 91 -3.353 1.134 31.906 1.00 0.00 N ATOM 1368 CA SER A 91 -3.387 2.159 32.936 1.00 0.00 C ATOM 1369 C SER A 91 -4.285 3.313 32.505 1.00 0.00 C ATOM 1370 O SER A 91 -4.563 3.484 31.317 1.00 0.00 O ATOM 1371 CB SER A 91 -1.973 2.672 33.220 1.00 0.00 C ATOM 1372 OG SER A 91 -1.042 1.604 33.267 1.00 0.00 O ATOM 0 H SER A 91 -2.690 1.317 31.153 1.00 0.00 H new ATOM 0 HA SER A 91 -3.792 1.721 33.848 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.678 3.382 32.447 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.962 3.210 34.168 1.00 0.00 H new ATOM 0 HG SER A 91 -0.146 1.958 33.448 1.00 0.00 H new ATOM 1378 N ALA A 92 -4.731 4.108 33.470 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.594 5.246 33.178 1.00 0.00 C ATOM 1380 C ALA A 92 -4.777 6.470 32.765 1.00 0.00 C ATOM 1381 O ALA A 92 -5.234 7.606 32.903 1.00 0.00 O ATOM 1382 CB ALA A 92 -6.465 5.568 34.383 1.00 0.00 C ATOM 0 H ALA A 92 -4.510 3.986 34.458 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.237 4.977 32.340 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.105 6.420 34.152 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.084 4.704 34.626 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.831 5.811 35.236 1.00 0.00 H new ATOM 1388 N THR A 93 -3.571 6.233 32.254 1.00 0.00 N ATOM 1389 CA THR A 93 -2.698 7.314 31.819 1.00 0.00 C ATOM 1390 C THR A 93 -2.669 7.402 30.297 1.00 0.00 C ATOM 1391 O THR A 93 -3.005 6.442 29.602 1.00 0.00 O ATOM 1392 CB THR A 93 -1.281 7.093 32.352 1.00 0.00 C ATOM 1393 OG1 THR A 93 -0.420 8.138 31.934 1.00 0.00 O ATOM 1394 CG2 THR A 93 -0.671 5.784 31.898 1.00 0.00 C ATOM 0 H THR A 93 -3.178 5.300 32.132 1.00 0.00 H new ATOM 0 HA THR A 93 -3.089 8.251 32.216 1.00 0.00 H new ATOM 0 HB THR A 93 -1.378 7.073 33.437 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.481 7.980 32.286 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.334 5.688 32.310 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.287 4.955 32.247 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.620 5.765 30.809 1.00 0.00 H new ATOM 1402 N GLY A 94 -2.265 8.557 29.784 1.00 0.00 N ATOM 1403 CA GLY A 94 -2.201 8.745 28.348 1.00 0.00 C ATOM 1404 C GLY A 94 -0.976 8.098 27.735 1.00 0.00 C ATOM 1405 O GLY A 94 -0.256 7.356 28.405 1.00 0.00 O ATOM 0 H GLY A 94 -1.981 9.366 30.336 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.097 8.327 27.889 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.196 9.812 28.124 1.00 0.00 H new ATOM 1409 N VAL A 95 -0.742 8.378 26.460 1.00 0.00 N ATOM 1410 CA VAL A 95 0.402 7.819 25.751 1.00 0.00 C ATOM 1411 C VAL A 95 1.624 8.729 25.873 1.00 0.00 C ATOM 1412 O VAL A 95 1.687 9.785 25.243 1.00 0.00 O ATOM 1413 CB VAL A 95 0.077 7.591 24.259 1.00 0.00 C ATOM 1414 CG1 VAL A 95 -0.251 8.904 23.561 1.00 0.00 C ATOM 1415 CG2 VAL A 95 1.226 6.885 23.564 1.00 0.00 C ATOM 0 H VAL A 95 -1.330 8.990 25.894 1.00 0.00 H new ATOM 0 HA VAL A 95 0.629 6.858 26.213 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.805 6.953 24.201 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.476 8.712 22.512 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.116 9.364 24.039 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.603 9.577 23.632 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.978 6.733 22.514 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.127 7.494 23.640 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.400 5.919 24.039 1.00 0.00 H new ATOM 1425 N PRO A 96 2.620 8.336 26.693 1.00 0.00 N ATOM 1426 CA PRO A 96 3.837 9.131 26.888 1.00 0.00 C ATOM 1427 C PRO A 96 4.733 9.138 25.656 1.00 0.00 C ATOM 1428 O PRO A 96 5.071 8.085 25.114 1.00 0.00 O ATOM 1429 CB PRO A 96 4.538 8.431 28.054 1.00 0.00 C ATOM 1430 CG PRO A 96 4.056 7.024 27.994 1.00 0.00 C ATOM 1431 CD PRO A 96 2.641 7.094 27.491 1.00 0.00 C ATOM 0 HA PRO A 96 3.609 10.180 27.077 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.622 8.483 27.953 1.00 0.00 H new ATOM 0 HB3 PRO A 96 4.284 8.897 29.006 1.00 0.00 H new ATOM 0 HG2 PRO A 96 4.678 6.426 27.328 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.098 6.554 28.977 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.387 6.224 26.886 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.925 7.132 28.312 1.00 0.00 H new ATOM 1439 N THR A 97 5.121 10.332 25.224 1.00 0.00 N ATOM 1440 CA THR A 97 5.985 10.482 24.059 1.00 0.00 C ATOM 1441 C THR A 97 7.433 10.738 24.479 1.00 0.00 C ATOM 1442 O THR A 97 8.344 10.701 23.651 1.00 0.00 O ATOM 1443 CB THR A 97 5.486 11.624 23.173 1.00 0.00 C ATOM 1444 OG1 THR A 97 4.923 12.661 23.960 1.00 0.00 O ATOM 1445 CG2 THR A 97 4.441 11.188 22.169 1.00 0.00 C ATOM 0 H THR A 97 4.851 11.212 25.664 1.00 0.00 H new ATOM 0 HA THR A 97 5.953 9.551 23.492 1.00 0.00 H new ATOM 0 HB THR A 97 6.364 11.974 22.630 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.611 13.383 23.375 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.130 12.045 21.572 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.861 10.424 21.515 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.578 10.780 22.696 1.00 0.00 H new ATOM 1453 N VAL A 98 7.639 10.995 25.770 1.00 0.00 N ATOM 1454 CA VAL A 98 8.973 11.253 26.298 1.00 0.00 C ATOM 1455 C VAL A 98 9.497 10.047 27.073 1.00 0.00 C ATOM 1456 O VAL A 98 10.714 10.002 27.346 1.00 0.00 O ATOM 1457 CB VAL A 98 8.984 12.490 27.220 1.00 0.00 C ATOM 1458 CG1 VAL A 98 8.025 12.301 28.387 1.00 0.00 C ATOM 1459 CG2 VAL A 98 10.392 12.778 27.721 1.00 0.00 C ATOM 1460 OXT VAL A 98 8.684 9.157 27.401 1.00 0.00 O ATOM 0 H VAL A 98 6.896 11.030 26.468 1.00 0.00 H new ATOM 0 HA VAL A 98 9.622 11.443 25.443 1.00 0.00 H new ATOM 0 HB VAL A 98 8.648 13.349 26.639 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.049 13.185 29.024 1.00 0.00 H new ATOM 0 HG12 VAL A 98 7.014 12.155 28.007 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.325 11.428 28.967 1.00 0.00 H new ATOM 0 HG21 VAL A 98 10.375 13.654 28.369 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.762 11.919 28.281 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.049 12.967 26.872 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 8.255 17.682 15.167 1.00 0.00 N ATOM 1472 CA VAL B 1 7.970 18.721 14.143 1.00 0.00 C ATOM 1473 C VAL B 1 8.809 18.505 12.886 1.00 0.00 C ATOM 1474 O VAL B 1 9.495 19.414 12.416 1.00 0.00 O ATOM 1475 CB VAL B 1 8.241 20.136 14.693 1.00 0.00 C ATOM 1476 CG1 VAL B 1 7.729 21.194 13.727 1.00 0.00 C ATOM 1477 CG2 VAL B 1 7.606 20.304 16.065 1.00 0.00 C ATOM 0 H1 VAL B 1 7.500 17.683 15.882 1.00 0.00 H new ATOM 0 H2 VAL B 1 8.298 16.748 14.711 1.00 0.00 H new ATOM 0 H3 VAL B 1 9.166 17.886 15.625 1.00 0.00 H new ATOM 0 HA VAL B 1 6.914 18.632 13.887 1.00 0.00 H new ATOM 0 HB VAL B 1 9.318 20.265 14.797 1.00 0.00 H new ATOM 0 HG11 VAL B 1 7.930 22.185 14.133 1.00 0.00 H new ATOM 0 HG12 VAL B 1 8.235 21.086 12.767 1.00 0.00 H new ATOM 0 HG13 VAL B 1 6.655 21.070 13.587 1.00 0.00 H new ATOM 0 HG21 VAL B 1 7.807 21.308 16.438 1.00 0.00 H new ATOM 0 HG22 VAL B 1 6.529 20.154 15.988 1.00 0.00 H new ATOM 0 HG23 VAL B 1 8.026 19.570 16.753 1.00 0.00 H new ATOM 1489 N LEU B 2 8.745 17.294 12.343 1.00 0.00 N ATOM 1490 CA LEU B 2 9.493 16.951 11.139 1.00 0.00 C ATOM 1491 C LEU B 2 8.643 17.188 9.894 1.00 0.00 C ATOM 1492 O LEU B 2 7.530 17.705 9.982 1.00 0.00 O ATOM 1493 CB LEU B 2 9.947 15.490 11.198 1.00 0.00 C ATOM 1494 CG LEU B 2 11.355 15.269 11.754 1.00 0.00 C ATOM 1495 CD1 LEU B 2 11.349 14.179 12.816 1.00 0.00 C ATOM 1496 CD2 LEU B 2 12.323 14.918 10.634 1.00 0.00 C ATOM 0 H LEU B 2 8.181 16.532 12.719 1.00 0.00 H new ATOM 0 HA LEU B 2 10.373 17.592 11.084 1.00 0.00 H new ATOM 0 HB2 LEU B 2 9.240 14.931 11.810 1.00 0.00 H new ATOM 0 HB3 LEU B 2 9.900 15.070 10.193 1.00 0.00 H new ATOM 0 HG LEU B 2 11.688 16.197 12.219 1.00 0.00 H new ATOM 0 HD11 LEU B 2 12.360 14.038 13.198 1.00 0.00 H new ATOM 0 HD12 LEU B 2 10.690 14.471 13.633 1.00 0.00 H new ATOM 0 HD13 LEU B 2 10.993 13.246 12.378 1.00 0.00 H new ATOM 0 HD21 LEU B 2 13.319 14.765 11.049 1.00 0.00 H new ATOM 0 HD22 LEU B 2 11.991 14.005 10.139 1.00 0.00 H new ATOM 0 HD23 LEU B 2 12.353 15.733 9.910 1.00 0.00 H new ATOM 1508 N MET B 3 9.173 16.807 8.737 1.00 0.00 N ATOM 1509 CA MET B 3 8.452 16.979 7.479 1.00 0.00 C ATOM 1510 C MET B 3 7.679 15.718 7.114 1.00 0.00 C ATOM 1511 O MET B 3 8.214 14.611 7.167 1.00 0.00 O ATOM 1512 CB MET B 3 9.413 17.345 6.344 1.00 0.00 C ATOM 1513 CG MET B 3 10.683 16.506 6.310 1.00 0.00 C ATOM 1514 SD MET B 3 12.176 17.496 6.525 1.00 0.00 S ATOM 1515 CE MET B 3 13.441 16.232 6.441 1.00 0.00 C ATOM 0 H MET B 3 10.094 16.379 8.643 1.00 0.00 H new ATOM 0 HA MET B 3 7.743 17.795 7.617 1.00 0.00 H new ATOM 0 HB2 MET B 3 8.893 17.236 5.392 1.00 0.00 H new ATOM 0 HB3 MET B 3 9.687 18.396 6.439 1.00 0.00 H new ATOM 0 HG2 MET B 3 10.636 15.751 7.095 1.00 0.00 H new ATOM 0 HG3 MET B 3 10.738 15.975 5.360 1.00 0.00 H new ATOM 0 HE1 MET B 3 14.423 16.691 6.558 1.00 0.00 H new ATOM 0 HE2 MET B 3 13.283 15.505 7.238 1.00 0.00 H new ATOM 0 HE3 MET B 3 13.389 15.729 5.476 1.00 0.00 H new ATOM 1525 N SER B 4 6.419 15.896 6.734 1.00 0.00 N ATOM 1526 CA SER B 4 5.572 14.775 6.350 1.00 0.00 C ATOM 1527 C SER B 4 5.779 14.433 4.881 1.00 0.00 C ATOM 1528 O SER B 4 6.330 15.230 4.121 1.00 0.00 O ATOM 1529 CB SER B 4 4.099 15.108 6.613 1.00 0.00 C ATOM 1530 OG SER B 4 3.500 14.142 7.459 1.00 0.00 O ATOM 0 H SER B 4 5.962 16.807 6.684 1.00 0.00 H new ATOM 0 HA SER B 4 5.849 13.909 6.952 1.00 0.00 H new ATOM 0 HB2 SER B 4 4.022 16.094 7.071 1.00 0.00 H new ATOM 0 HB3 SER B 4 3.559 15.153 5.667 1.00 0.00 H new ATOM 0 HG SER B 4 2.561 14.379 7.612 1.00 0.00 H new ATOM 1536 N LYS B 5 5.344 13.244 4.485 1.00 0.00 N ATOM 1537 CA LYS B 5 5.494 12.801 3.105 1.00 0.00 C ATOM 1538 C LYS B 5 4.391 13.395 2.223 1.00 0.00 C ATOM 1539 O LYS B 5 3.633 14.258 2.666 1.00 0.00 O ATOM 1540 CB LYS B 5 5.448 11.275 3.050 1.00 0.00 C ATOM 1541 CG LYS B 5 6.797 10.595 3.287 1.00 0.00 C ATOM 1542 CD LYS B 5 7.471 11.067 4.567 1.00 0.00 C ATOM 1543 CE LYS B 5 8.946 11.370 4.343 1.00 0.00 C ATOM 1544 NZ LYS B 5 9.324 12.713 4.865 1.00 0.00 N ATOM 0 H LYS B 5 4.885 12.570 5.098 1.00 0.00 H new ATOM 0 HA LYS B 5 6.456 13.147 2.727 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.738 10.918 3.796 1.00 0.00 H new ATOM 0 HB3 LYS B 5 5.067 10.970 2.076 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.653 9.516 3.333 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.454 10.793 2.440 1.00 0.00 H new ATOM 0 HD2 LYS B 5 6.967 11.960 4.936 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.369 10.302 5.337 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.551 10.607 4.832 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.169 11.319 3.277 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.303 12.687 5.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.247 13.416 4.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 8.686 12.975 5.643 1.00 0.00 H new ATOM 1558 N LEU B 6 4.301 12.928 0.978 1.00 0.00 N ATOM 1559 CA LEU B 6 3.284 13.416 0.049 1.00 0.00 C ATOM 1560 C LEU B 6 2.002 12.604 0.184 1.00 0.00 C ATOM 1561 O LEU B 6 0.900 13.147 0.118 1.00 0.00 O ATOM 1562 CB LEU B 6 3.785 13.351 -1.399 1.00 0.00 C ATOM 1563 CG LEU B 6 5.240 13.773 -1.619 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.822 13.070 -2.839 1.00 0.00 C ATOM 1565 CD2 LEU B 6 5.349 15.281 -1.767 1.00 0.00 C ATOM 0 H LEU B 6 4.918 12.214 0.591 1.00 0.00 H new ATOM 0 HA LEU B 6 3.077 14.456 0.300 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.664 12.330 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.146 13.984 -2.014 1.00 0.00 H new ATOM 0 HG LEU B 6 5.817 13.476 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.857 13.382 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.786 11.991 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.240 13.333 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU B 6 6.392 15.557 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.756 15.606 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.977 15.763 -0.863 1.00 0.00 H new ATOM 1577 N SER B 7 2.155 11.296 0.381 1.00 0.00 N ATOM 1578 CA SER B 7 1.012 10.408 0.537 1.00 0.00 C ATOM 1579 C SER B 7 0.893 9.937 1.982 1.00 0.00 C ATOM 1580 O SER B 7 1.269 8.812 2.313 1.00 0.00 O ATOM 1581 CB SER B 7 1.144 9.205 -0.400 1.00 0.00 C ATOM 1582 OG SER B 7 0.978 9.587 -1.755 1.00 0.00 O ATOM 0 H SER B 7 3.061 10.830 0.436 1.00 0.00 H new ATOM 0 HA SER B 7 0.109 10.960 0.277 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.123 8.744 -0.267 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.399 8.454 -0.138 1.00 0.00 H new ATOM 0 HG SER B 7 0.027 9.551 -1.991 1.00 0.00 H new ATOM 1588 N VAL B 8 0.371 10.809 2.839 1.00 0.00 N ATOM 1589 CA VAL B 8 0.203 10.489 4.254 1.00 0.00 C ATOM 1590 C VAL B 8 -0.514 9.156 4.437 1.00 0.00 C ATOM 1591 O VAL B 8 -0.972 8.549 3.470 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.592 11.583 4.988 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.226 12.863 5.085 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.919 11.837 4.289 1.00 0.00 C ATOM 0 H VAL B 8 0.057 11.744 2.579 1.00 0.00 H new ATOM 0 HA VAL B 8 1.204 10.425 4.681 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.803 11.239 6.000 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.352 13.626 5.607 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.146 12.666 5.635 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.470 13.216 4.083 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.468 12.614 4.822 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.735 12.161 3.265 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.507 10.919 4.279 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.602 8.702 5.682 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.257 7.437 5.983 1.00 0.00 C ATOM 1606 C ASN B 9 -2.780 7.581 6.017 1.00 0.00 C ATOM 1607 O ASN B 9 -3.411 7.290 7.033 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.758 6.899 7.325 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.047 7.849 8.472 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.137 8.786 8.713 1.00 0.00 O flip ATOM 1611 ND2 ASN B 9 -2.078 7.742 9.137 1.00 0.00 N flip ATOM 0 H ASN B 9 -0.229 9.190 6.496 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.005 6.735 5.188 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.230 5.937 7.526 1.00 0.00 H new ATOM 0 HB3 ASN B 9 0.316 6.721 7.266 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.752 7.008 8.919 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.258 8.388 9.906 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.372 8.046 4.914 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.821 8.238 4.843 1.00 0.00 C ATOM 1620 C ALA B 10 -5.589 6.975 5.246 1.00 0.00 C ATOM 1621 O ALA B 10 -4.988 5.984 5.659 1.00 0.00 O ATOM 1622 CB ALA B 10 -5.204 8.675 3.436 1.00 0.00 C ATOM 0 H ALA B 10 -2.871 8.296 4.061 1.00 0.00 H new ATOM 0 HA ALA B 10 -5.097 9.015 5.556 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.283 8.819 3.381 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.700 9.612 3.196 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.903 7.908 2.722 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.940 7.007 5.143 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.798 5.869 5.508 1.00 0.00 C ATOM 1630 C PRO B 11 -7.374 4.556 4.848 1.00 0.00 C ATOM 1631 O PRO B 11 -6.227 4.395 4.438 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.181 6.298 5.011 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.141 7.783 5.046 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.734 8.162 4.681 1.00 0.00 C ATOM 0 HA PRO B 11 -7.752 5.661 6.577 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.373 5.929 4.004 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -9.972 5.906 5.650 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.856 8.210 4.343 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.403 8.158 6.035 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.626 8.321 3.608 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.426 9.085 5.173 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.320 3.625 4.720 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.072 2.337 4.078 1.00 0.00 C ATOM 1644 C GLU B 12 -8.187 2.447 2.552 1.00 0.00 C ATOM 1645 O GLU B 12 -8.420 3.528 2.010 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.074 1.303 4.612 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.590 -0.142 4.560 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.417 -0.409 5.481 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -6.366 0.243 5.311 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -7.548 -1.277 6.368 1.00 0.00 O ATOM 0 H GLU B 12 -9.275 3.743 5.057 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.056 2.020 4.313 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.317 1.553 5.645 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.998 1.383 4.039 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.413 -0.804 4.828 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -8.304 -0.387 3.537 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.043 1.311 1.874 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.154 1.258 0.418 1.00 0.00 C ATOM 1659 C PHE B 13 -9.513 0.676 0.028 1.00 0.00 C ATOM 1660 O PHE B 13 -9.779 -0.511 0.221 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.006 0.443 -0.195 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.112 -1.041 -0.011 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.941 -1.623 1.237 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.374 -1.857 -1.094 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -7.035 -2.992 1.392 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.466 -3.222 -0.942 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.301 -3.788 0.294 1.00 0.00 C ATOM 0 H PHE B 13 -7.848 0.411 2.312 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.078 2.271 0.022 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -6.957 0.659 -1.262 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.067 0.782 0.242 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.733 -1.000 2.094 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.508 -1.419 -2.072 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.901 -3.438 2.366 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.669 -3.848 -1.799 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.379 -4.859 0.411 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.355 1.533 -0.544 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.686 1.144 -0.998 1.00 0.00 C ATOM 1679 C TYR B 14 -11.822 1.345 -2.512 1.00 0.00 C ATOM 1680 O TYR B 14 -10.927 1.908 -3.144 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.752 1.941 -0.243 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.589 1.086 0.684 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.993 0.281 1.645 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -14.974 1.073 0.587 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -13.752 -0.513 2.482 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.742 0.284 1.421 1.00 0.00 C ATOM 1687 CZ TYR B 14 -15.126 -0.509 2.366 1.00 0.00 C ATOM 1688 OH TYR B 14 -15.886 -1.300 3.198 1.00 0.00 O ATOM 0 H TYR B 14 -10.133 2.515 -0.705 1.00 0.00 H new ATOM 0 HA TYR B 14 -11.832 0.085 -0.787 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.267 2.727 0.336 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.406 2.433 -0.963 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.917 0.276 1.740 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.460 1.691 -0.154 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -13.272 -1.134 3.224 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.818 0.288 1.333 1.00 0.00 H new ATOM 0 HH TYR B 14 -16.835 -1.180 2.987 1.00 0.00 H new ATOM 1698 N PRO B 15 -12.944 0.903 -3.116 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.175 1.064 -4.556 1.00 0.00 C ATOM 1700 C PRO B 15 -13.301 2.522 -4.974 1.00 0.00 C ATOM 1701 O PRO B 15 -14.391 3.100 -4.965 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.493 0.343 -4.810 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.163 0.274 -3.482 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.068 0.225 -2.456 1.00 0.00 C ATOM 0 HA PRO B 15 -12.337 0.666 -5.129 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.105 0.884 -5.532 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.324 -0.654 -5.218 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.804 1.142 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -15.799 -0.609 -3.413 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.358 0.733 -1.536 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -13.816 -0.801 -2.188 1.00 0.00 H new ATOM 1712 N SER B 16 -12.182 3.099 -5.362 1.00 0.00 N ATOM 1713 CA SER B 16 -12.140 4.485 -5.811 1.00 0.00 C ATOM 1714 C SER B 16 -13.180 4.730 -6.891 1.00 0.00 C ATOM 1715 O SER B 16 -14.050 5.589 -6.755 1.00 0.00 O ATOM 1716 CB SER B 16 -10.757 4.809 -6.354 1.00 0.00 C ATOM 1717 OG SER B 16 -10.496 6.197 -6.284 1.00 0.00 O ATOM 0 H SER B 16 -11.278 2.627 -5.377 1.00 0.00 H new ATOM 0 HA SER B 16 -12.359 5.130 -4.960 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.003 4.265 -5.786 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.681 4.473 -7.388 1.00 0.00 H new ATOM 0 HG SER B 16 -10.391 6.463 -5.347 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.078 3.960 -7.964 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.008 4.092 -9.063 1.00 0.00 C ATOM 1725 C GLY B 17 -15.270 3.287 -8.845 1.00 0.00 C ATOM 1726 O GLY B 17 -15.647 2.477 -9.690 1.00 0.00 O ATOM 0 H GLY B 17 -12.364 3.243 -8.092 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.267 5.143 -9.193 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.526 3.766 -9.985 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.932 3.517 -7.715 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.163 2.805 -7.402 1.00 0.00 C ATOM 1732 C TYR B 18 -18.276 3.202 -8.365 1.00 0.00 C ATOM 1733 O TYR B 18 -18.497 4.384 -8.622 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.600 3.095 -5.966 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.180 1.891 -5.264 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.513 0.677 -5.275 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.393 1.967 -4.591 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.032 -0.431 -4.635 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -19.920 0.864 -3.945 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.235 -0.331 -3.969 1.00 0.00 C ATOM 1741 OH TYR B 18 -19.755 -1.430 -3.324 1.00 0.00 O ATOM 0 H TYR B 18 -15.637 4.188 -7.005 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.969 1.738 -7.507 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.743 3.460 -5.399 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.341 3.895 -5.973 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.569 0.596 -5.794 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -19.933 2.902 -4.572 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.499 -1.370 -4.656 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -20.863 0.939 -3.425 1.00 0.00 H new ATOM 0 HH TYR B 18 -20.248 -1.983 -3.965 1.00 0.00 H new ATOM 1751 N SER B 19 -18.979 2.204 -8.887 1.00 0.00 N ATOM 1752 CA SER B 19 -20.078 2.453 -9.812 1.00 0.00 C ATOM 1753 C SER B 19 -21.315 2.930 -9.056 1.00 0.00 C ATOM 1754 O SER B 19 -22.164 3.626 -9.611 1.00 0.00 O ATOM 1755 CB SER B 19 -20.406 1.187 -10.604 1.00 0.00 C ATOM 1756 OG SER B 19 -21.395 1.439 -11.587 1.00 0.00 O ATOM 0 H SER B 19 -18.809 1.218 -8.687 1.00 0.00 H new ATOM 0 HA SER B 19 -19.770 3.233 -10.508 1.00 0.00 H new ATOM 0 HB2 SER B 19 -19.502 0.810 -11.082 1.00 0.00 H new ATOM 0 HB3 SER B 19 -20.755 0.410 -9.924 1.00 0.00 H new ATOM 0 HG SER B 19 -21.585 0.613 -12.080 1.00 0.00 H new ATOM 1762 N SER B 20 -21.408 2.546 -7.786 1.00 0.00 N ATOM 1763 CA SER B 20 -22.537 2.931 -6.950 1.00 0.00 C ATOM 1764 C SER B 20 -22.181 4.119 -6.062 1.00 0.00 C ATOM 1765 O SER B 20 -21.007 4.425 -5.856 1.00 0.00 O ATOM 1766 CB SER B 20 -22.979 1.749 -6.081 1.00 0.00 C ATOM 1767 OG SER B 20 -23.215 0.589 -6.865 1.00 0.00 O ATOM 0 H SER B 20 -20.713 1.968 -7.314 1.00 0.00 H new ATOM 0 HA SER B 20 -23.357 3.224 -7.605 1.00 0.00 H new ATOM 0 HB2 SER B 20 -22.212 1.537 -5.336 1.00 0.00 H new ATOM 0 HB3 SER B 20 -23.886 2.014 -5.538 1.00 0.00 H new ATOM 0 HG SER B 20 -24.146 0.304 -6.755 1.00 0.00 H new ATOM 1773 N SER B 21 -23.205 4.782 -5.535 1.00 0.00 N ATOM 1774 CA SER B 21 -23.006 5.935 -4.665 1.00 0.00 C ATOM 1775 C SER B 21 -23.007 5.522 -3.195 1.00 0.00 C ATOM 1776 O SER B 21 -22.652 6.313 -2.320 1.00 0.00 O ATOM 1777 CB SER B 21 -24.095 6.979 -4.913 1.00 0.00 C ATOM 1778 OG SER B 21 -23.626 8.285 -4.630 1.00 0.00 O ATOM 0 H SER B 21 -24.183 4.540 -5.696 1.00 0.00 H new ATOM 0 HA SER B 21 -22.033 6.368 -4.898 1.00 0.00 H new ATOM 0 HB2 SER B 21 -24.425 6.925 -5.951 1.00 0.00 H new ATOM 0 HB3 SER B 21 -24.962 6.758 -4.291 1.00 0.00 H new ATOM 0 HG SER B 21 -24.341 8.933 -4.798 1.00 0.00 H new ATOM 1784 N TYR B 22 -23.407 4.283 -2.925 1.00 0.00 N ATOM 1785 CA TYR B 22 -23.453 3.773 -1.560 1.00 0.00 C ATOM 1786 C TYR B 22 -22.409 2.681 -1.350 1.00 0.00 C ATOM 1787 O TYR B 22 -21.447 2.626 -2.143 1.00 0.00 O ATOM 1788 CB TYR B 22 -24.848 3.230 -1.245 1.00 0.00 C ATOM 1789 CG TYR B 22 -25.093 2.999 0.230 1.00 0.00 C ATOM 1790 CD1 TYR B 22 -24.652 3.913 1.179 1.00 0.00 C ATOM 1791 CD2 TYR B 22 -25.766 1.868 0.672 1.00 0.00 C ATOM 1792 CE1 TYR B 22 -24.874 3.706 2.527 1.00 0.00 C ATOM 1793 CE2 TYR B 22 -25.993 1.652 2.019 1.00 0.00 C ATOM 1794 CZ TYR B 22 -25.547 2.573 2.942 1.00 0.00 C ATOM 1795 OH TYR B 22 -25.772 2.360 4.285 1.00 0.00 O ATOM 1796 OXT TYR B 22 -22.562 1.892 -0.394 1.00 0.00 O ATOM 0 H TYR B 22 -23.704 3.613 -3.635 1.00 0.00 H new ATOM 0 HA TYR B 22 -23.229 4.597 -0.883 1.00 0.00 H new ATOM 0 HB2 TYR B 22 -25.594 3.929 -1.623 1.00 0.00 H new ATOM 0 HB3 TYR B 22 -24.992 2.291 -1.779 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -24.127 4.800 0.858 1.00 0.00 H new ATOM 0 HD2 TYR B 22 -26.118 1.145 -0.048 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -24.523 4.426 3.252 1.00 0.00 H new ATOM 0 HE2 TYR B 22 -26.517 0.766 2.346 1.00 0.00 H new ATOM 0 HH TYR B 22 -26.259 1.518 4.406 1.00 0.00 H new TER 1806 TYR B 22