USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 917 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 132 THR OG1 : rot 76:sc= 1.73 USER MOD Set 1.2: B 27 SER OG : rot 5:sc= 1.13 USER MOD Set 2.1: A 106 CYS SG : rot 139:sc= 1.18 USER MOD Set 2.2: A 110 SER OG : rot 80:sc= 0.587 USER MOD Set 3.1: A 74 CYS SG : rot -49:sc= -0.218 USER MOD Set 3.2: A 78 THR OG1 : rot -33:sc= 2.25 USER MOD Single : A 52 SER OG : rot 180:sc= -0.0346 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 0.985 (180deg=0.711) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot 39:sc= 0.00866 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -4.06! K(o=-4.1!,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= -0.0307 (180deg=-0.272) USER MOD Single : A 76 MET CE :methyl -123:sc= -1.16 (180deg=-4.08!) USER MOD Single : A 77 GLN : amide:sc= -2.7! C(o=-2.7!,f=-4.3!) USER MOD Single : A 81 HIS : no HE2:sc= 0.216 K(o=0.22,f=-7.1!) USER MOD Single : A 89 TYR OH : rot 44:sc= 1.18 USER MOD Single : A 90 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.05) USER MOD Single : A 92 GLN : amide:sc= -0.0495 K(o=-0.05,f=-0.87) USER MOD Single : A 93 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.038) USER MOD Single : A 96 HIS : no HD1:sc= -0.713 K(o=-0.71,f=-4.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -66:sc= 1.19 USER MOD Single : A 107 ASN : amide:sc= 1.13 K(o=1.1,f=-0.13) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 164:sc= -0.0424 (180deg=-0.24) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.21 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -11.8! C(o=-12!,f=-12!) USER MOD Single : A 131 CYS SG : rot 152:sc= -0.357 USER MOD Single : A 135 LYS NZ :NH3+ 148:sc= 1.32 (180deg=0.71) USER MOD Single : A 137 HIS : no HD1:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 138 SER OG : rot -110:sc= 1.33 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ -159:sc= 0.525 (180deg=-0.265) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 ASN : amide:sc= -2.2! K(o=-2.2!,f=-0.15) USER MOD Single : B 23 SER OG : rot -104:sc= 1.03 USER MOD Single : B 24 GLN : amide:sc= -0.523 X(o=-0.52,f=-0.32) USER MOD Single : B 29 SER OG : rot 113:sc= 1.25 USER MOD Single : B 33 GLN : amide:sc= 0.459 X(o=0.46,f=-0.02) USER MOD Single : B 34 TYR OH : rot 15:sc= 0.525 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 51 -24.442 -4.044 2.817 1.00 10.57 N ATOM 2 CA GLY A 51 -24.028 -3.246 3.997 1.00 9.93 C ATOM 3 C GLY A 51 -25.145 -2.350 4.486 1.00 9.27 C ATOM 4 O GLY A 51 -26.258 -2.393 3.958 1.00 9.29 O ATOM 0 HA2 GLY A 51 -23.721 -3.916 4.800 1.00 9.93 H new ATOM 0 HA3 GLY A 51 -23.160 -2.639 3.739 1.00 9.93 H new ATOM 10 N SER A 52 -24.874 -1.545 5.504 1.00 8.95 N ATOM 11 CA SER A 52 -25.867 -0.610 6.009 1.00 8.59 C ATOM 12 C SER A 52 -25.203 0.623 6.615 1.00 7.80 C ATOM 13 O SER A 52 -25.201 1.696 6.009 1.00 7.91 O ATOM 14 CB SER A 52 -26.768 -1.295 7.045 1.00 9.23 C ATOM 15 OG SER A 52 -27.442 -2.411 6.481 1.00 9.51 O ATOM 0 H SER A 52 -23.979 -1.521 5.994 1.00 8.95 H new ATOM 0 HA SER A 52 -26.481 -0.284 5.170 1.00 8.59 H new ATOM 0 HB2 SER A 52 -26.168 -1.621 7.894 1.00 9.23 H new ATOM 0 HB3 SER A 52 -27.498 -0.580 7.426 1.00 9.23 H new ATOM 0 HG SER A 52 -28.008 -2.830 7.163 1.00 9.51 H new ATOM 21 N HIS A 53 -24.605 0.459 7.787 1.00 7.28 N ATOM 22 CA HIS A 53 -24.059 1.593 8.516 1.00 6.80 C ATOM 23 C HIS A 53 -22.545 1.678 8.352 1.00 5.91 C ATOM 24 O HIS A 53 -21.809 0.856 8.899 1.00 6.03 O ATOM 25 CB HIS A 53 -24.424 1.494 10.001 1.00 7.25 C ATOM 26 CG HIS A 53 -24.172 2.757 10.768 1.00 7.97 C ATOM 27 ND1 HIS A 53 -23.144 2.863 11.674 1.00 8.46 N ATOM 28 CD2 HIS A 53 -24.854 3.926 10.739 1.00 8.53 C ATOM 29 CE1 HIS A 53 -23.226 4.086 12.173 1.00 9.23 C ATOM 30 NE2 HIS A 53 -24.247 4.766 11.636 1.00 9.30 N ATOM 0 H HIS A 53 -24.487 -0.442 8.250 1.00 7.28 H new ATOM 0 HA HIS A 53 -24.496 2.501 8.101 1.00 6.80 H new ATOM 0 HB2 HIS A 53 -25.478 1.229 10.090 1.00 7.25 H new ATOM 0 HB3 HIS A 53 -23.852 0.684 10.454 1.00 7.25 H new ATOM 0 HD2 HIS A 53 -25.713 4.154 10.126 1.00 8.53 H new ATOM 0 HE1 HIS A 53 -22.555 4.485 12.919 1.00 9.23 H new ATOM 0 HE2 HIS A 53 -24.520 5.724 11.853 1.00 9.30 H new ATOM 38 N MET A 54 -22.105 2.664 7.565 1.00 5.30 N ATOM 39 CA MET A 54 -20.682 2.995 7.384 1.00 4.57 C ATOM 40 C MET A 54 -19.920 1.934 6.578 1.00 4.14 C ATOM 41 O MET A 54 -18.915 2.244 5.937 1.00 4.31 O ATOM 42 CB MET A 54 -20.003 3.230 8.739 1.00 4.58 C ATOM 43 CG MET A 54 -18.573 3.737 8.627 1.00 4.17 C ATOM 44 SD MET A 54 -17.840 4.102 10.233 1.00 4.68 S ATOM 45 CE MET A 54 -16.202 4.630 9.739 1.00 5.36 C ATOM 0 H MET A 54 -22.731 3.264 7.028 1.00 5.30 H new ATOM 0 HA MET A 54 -20.649 3.916 6.803 1.00 4.57 H new ATOM 0 HB2 MET A 54 -20.590 3.949 9.310 1.00 4.58 H new ATOM 0 HB3 MET A 54 -20.005 2.297 9.303 1.00 4.58 H new ATOM 0 HG2 MET A 54 -17.966 2.990 8.116 1.00 4.17 H new ATOM 0 HG3 MET A 54 -18.557 4.636 8.012 1.00 4.17 H new ATOM 0 HE1 MET A 54 -15.622 4.892 10.624 1.00 5.36 H new ATOM 0 HE2 MET A 54 -15.704 3.820 9.205 1.00 5.36 H new ATOM 0 HE3 MET A 54 -16.281 5.500 9.087 1.00 5.36 H new ATOM 55 N GLY A 55 -20.402 0.698 6.595 1.00 4.00 N ATOM 56 CA GLY A 55 -19.739 -0.379 5.875 1.00 3.88 C ATOM 57 C GLY A 55 -19.749 -0.183 4.371 1.00 3.32 C ATOM 58 O GLY A 55 -18.980 -0.814 3.647 1.00 3.61 O ATOM 0 H GLY A 55 -21.245 0.418 7.097 1.00 4.00 H new ATOM 0 HA2 GLY A 55 -18.707 -0.457 6.219 1.00 3.88 H new ATOM 0 HA3 GLY A 55 -20.227 -1.323 6.116 1.00 3.88 H new ATOM 62 N LYS A 56 -20.626 0.687 3.899 1.00 2.94 N ATOM 63 CA LYS A 56 -20.722 0.979 2.477 1.00 2.69 C ATOM 64 C LYS A 56 -20.136 2.355 2.170 1.00 2.34 C ATOM 65 O LYS A 56 -20.517 3.001 1.190 1.00 2.48 O ATOM 66 CB LYS A 56 -22.177 0.923 2.010 1.00 2.93 C ATOM 67 CG LYS A 56 -23.064 1.976 2.659 1.00 3.20 C ATOM 68 CD LYS A 56 -24.321 2.227 1.842 1.00 3.88 C ATOM 69 CE LYS A 56 -23.986 2.685 0.427 1.00 4.35 C ATOM 70 NZ LYS A 56 -23.137 3.911 0.418 1.00 4.58 N ATOM 0 H LYS A 56 -21.284 1.205 4.481 1.00 2.94 H new ATOM 0 HA LYS A 56 -20.150 0.222 1.940 1.00 2.69 H new ATOM 0 HB2 LYS A 56 -22.208 1.050 0.928 1.00 2.93 H new ATOM 0 HB3 LYS A 56 -22.582 -0.065 2.227 1.00 2.93 H new ATOM 0 HG2 LYS A 56 -23.340 1.652 3.663 1.00 3.20 H new ATOM 0 HG3 LYS A 56 -22.507 2.907 2.766 1.00 3.20 H new ATOM 0 HD2 LYS A 56 -24.916 1.315 1.799 1.00 3.88 H new ATOM 0 HD3 LYS A 56 -24.932 2.983 2.335 1.00 3.88 H new ATOM 0 HE2 LYS A 56 -23.469 1.883 -0.100 1.00 4.35 H new ATOM 0 HE3 LYS A 56 -24.909 2.881 -0.118 1.00 4.35 H new ATOM 0 HZ1 LYS A 56 -23.130 4.321 -0.538 1.00 4.58 H new ATOM 0 HZ2 LYS A 56 -23.523 4.605 1.090 1.00 4.58 H new ATOM 0 HZ3 LYS A 56 -22.166 3.663 0.696 1.00 4.58 H new ATOM 84 N LYS A 57 -19.234 2.814 3.026 1.00 2.10 N ATOM 85 CA LYS A 57 -18.570 4.091 2.824 1.00 1.85 C ATOM 86 C LYS A 57 -17.629 4.034 1.639 1.00 1.54 C ATOM 87 O LYS A 57 -16.823 3.116 1.516 1.00 1.68 O ATOM 88 CB LYS A 57 -17.808 4.506 4.068 1.00 1.99 C ATOM 89 CG LYS A 57 -18.497 5.587 4.883 1.00 1.98 C ATOM 90 CD LYS A 57 -18.613 6.894 4.112 1.00 2.02 C ATOM 91 CE LYS A 57 -18.999 8.046 5.027 1.00 2.40 C ATOM 92 NZ LYS A 57 -18.935 9.363 4.336 1.00 3.04 N ATOM 0 H LYS A 57 -18.945 2.318 3.869 1.00 2.10 H new ATOM 0 HA LYS A 57 -19.341 4.834 2.620 1.00 1.85 H new ATOM 0 HB2 LYS A 57 -17.658 3.630 4.699 1.00 1.99 H new ATOM 0 HB3 LYS A 57 -16.820 4.861 3.775 1.00 1.99 H new ATOM 0 HG2 LYS A 57 -19.492 5.246 5.171 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -17.940 5.757 5.804 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -17.663 7.116 3.625 1.00 2.02 H new ATOM 0 HD3 LYS A 57 -19.358 6.788 3.324 1.00 2.02 H new ATOM 0 HE2 LYS A 57 -20.009 7.885 5.404 1.00 2.40 H new ATOM 0 HE3 LYS A 57 -18.335 8.059 5.891 1.00 2.40 H new ATOM 0 HZ1 LYS A 57 -19.206 10.117 4.999 1.00 3.04 H new ATOM 0 HZ2 LYS A 57 -17.966 9.531 3.999 1.00 3.04 H new ATOM 0 HZ3 LYS A 57 -19.588 9.363 3.527 1.00 3.04 H new ATOM 106 N CYS A 58 -17.722 5.036 0.791 1.00 1.34 N ATOM 107 CA CYS A 58 -16.992 5.046 -0.458 1.00 1.07 C ATOM 108 C CYS A 58 -15.931 6.146 -0.472 1.00 0.85 C ATOM 109 O CYS A 58 -16.242 7.336 -0.473 1.00 1.07 O ATOM 110 CB CYS A 58 -17.985 5.202 -1.605 1.00 1.26 C ATOM 111 SG CYS A 58 -19.089 6.626 -1.447 1.00 1.99 S ATOM 0 H CYS A 58 -18.301 5.861 0.946 1.00 1.34 H new ATOM 0 HA CYS A 58 -16.458 4.103 -0.576 1.00 1.07 H new ATOM 0 HB2 CYS A 58 -17.431 5.289 -2.540 1.00 1.26 H new ATOM 0 HB3 CYS A 58 -18.587 4.296 -1.674 1.00 1.26 H new ATOM 0 HG CYS A 58 -18.426 7.639 -0.974 1.00 1.99 H new ATOM 117 N TYR A 59 -14.673 5.729 -0.451 1.00 0.57 N ATOM 118 CA TYR A 59 -13.544 6.653 -0.435 1.00 0.44 C ATOM 119 C TYR A 59 -12.617 6.368 -1.603 1.00 0.41 C ATOM 120 O TYR A 59 -11.420 6.626 -1.520 1.00 0.42 O ATOM 121 CB TYR A 59 -12.762 6.524 0.876 1.00 0.66 C ATOM 122 CG TYR A 59 -13.481 7.066 2.084 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.621 6.452 2.546 1.00 1.04 C ATOM 124 CD2 TYR A 59 -13.011 8.179 2.765 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.286 6.926 3.656 1.00 1.27 C ATOM 126 CE2 TYR A 59 -13.669 8.665 3.878 1.00 1.30 C ATOM 127 CZ TYR A 59 -14.809 8.032 4.319 1.00 1.34 C ATOM 128 OH TYR A 59 -15.471 8.496 5.433 1.00 1.64 O ATOM 0 H TYR A 59 -14.405 4.745 -0.445 1.00 0.57 H new ATOM 0 HA TYR A 59 -13.933 7.668 -0.520 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.532 5.472 1.046 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.810 7.045 0.770 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -15.002 5.583 2.030 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -12.116 8.674 2.419 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.180 6.430 4.004 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -13.292 9.534 4.398 1.00 1.30 H new ATOM 0 HH TYR A 59 -15.006 9.283 5.786 1.00 1.64 H new ATOM 138 N LYS A 60 -13.182 5.840 -2.689 1.00 0.42 N ATOM 139 CA LYS A 60 -12.385 5.364 -3.818 1.00 0.43 C ATOM 140 C LYS A 60 -11.459 6.450 -4.368 1.00 0.40 C ATOM 141 O LYS A 60 -10.243 6.298 -4.326 1.00 0.41 O ATOM 142 CB LYS A 60 -13.275 4.790 -4.932 1.00 0.52 C ATOM 143 CG LYS A 60 -14.328 5.741 -5.479 1.00 1.16 C ATOM 144 CD LYS A 60 -14.929 5.194 -6.763 1.00 1.35 C ATOM 145 CE LYS A 60 -15.818 6.216 -7.448 1.00 1.75 C ATOM 146 NZ LYS A 60 -16.133 5.820 -8.845 1.00 2.29 N ATOM 0 H LYS A 60 -14.189 5.731 -2.810 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.755 4.560 -3.439 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -12.637 4.469 -5.755 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.776 3.900 -4.551 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -15.113 5.888 -4.737 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -13.881 6.717 -5.668 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -14.129 4.895 -7.441 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -15.509 4.298 -6.540 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -16.744 6.329 -6.884 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -15.323 7.187 -7.448 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -16.742 6.541 -9.281 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -15.251 5.736 -9.389 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -16.627 4.905 -8.843 1.00 2.29 H new ATOM 160 N LEU A 61 -12.038 7.551 -4.845 1.00 0.45 N ATOM 161 CA LEU A 61 -11.265 8.649 -5.428 1.00 0.49 C ATOM 162 C LEU A 61 -10.140 9.081 -4.498 1.00 0.38 C ATOM 163 O LEU A 61 -9.020 9.353 -4.934 1.00 0.41 O ATOM 164 CB LEU A 61 -12.167 9.854 -5.729 1.00 0.62 C ATOM 165 CG LEU A 61 -12.917 10.443 -4.527 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.225 11.913 -4.767 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.208 9.683 -4.262 1.00 0.81 C ATOM 0 H LEU A 61 -13.046 7.707 -4.839 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.833 8.284 -6.360 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.556 10.640 -6.172 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -12.899 9.557 -6.480 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.275 10.348 -3.651 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.757 12.318 -3.907 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.294 12.461 -4.909 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -13.845 12.014 -5.658 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.719 10.122 -3.405 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.853 9.744 -5.139 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -13.979 8.638 -4.052 1.00 0.81 H new ATOM 179 N GLU A 62 -10.460 9.137 -3.217 1.00 0.33 N ATOM 180 CA GLU A 62 -9.510 9.490 -2.185 1.00 0.30 C ATOM 181 C GLU A 62 -8.279 8.606 -2.201 1.00 0.26 C ATOM 182 O GLU A 62 -7.165 9.103 -2.334 1.00 0.32 O ATOM 183 CB GLU A 62 -10.200 9.396 -0.835 1.00 0.41 C ATOM 184 CG GLU A 62 -10.957 10.647 -0.494 1.00 0.50 C ATOM 185 CD GLU A 62 -11.742 10.523 0.788 1.00 1.29 C ATOM 186 OE1 GLU A 62 -11.117 10.509 1.872 1.00 1.51 O ATOM 187 OE2 GLU A 62 -12.986 10.428 0.720 1.00 2.00 O ATOM 0 H GLU A 62 -11.396 8.936 -2.864 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.168 10.508 -2.373 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.886 8.549 -0.838 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.456 9.202 -0.062 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.257 11.478 -0.407 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.638 10.888 -1.310 1.00 0.50 H new ATOM 194 N ASN A 63 -8.478 7.301 -2.122 1.00 0.24 N ATOM 195 CA ASN A 63 -7.354 6.377 -1.994 1.00 0.23 C ATOM 196 C ASN A 63 -6.648 6.184 -3.326 1.00 0.21 C ATOM 197 O ASN A 63 -5.489 5.772 -3.362 1.00 0.22 O ATOM 198 CB ASN A 63 -7.788 5.029 -1.406 1.00 0.33 C ATOM 199 CG ASN A 63 -8.759 4.259 -2.270 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.365 3.516 -3.167 1.00 2.24 O ATOM 201 ND2 ASN A 63 -10.033 4.415 -1.983 1.00 0.90 N ATOM 0 H ASN A 63 -9.396 6.857 -2.144 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.647 6.826 -1.296 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -6.902 4.416 -1.240 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -8.244 5.201 -0.431 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.741 3.908 -2.514 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.313 5.043 -1.229 1.00 0.90 H new ATOM 208 N GLU A 64 -7.336 6.497 -4.419 1.00 0.23 N ATOM 209 CA GLU A 64 -6.713 6.479 -5.726 1.00 0.29 C ATOM 210 C GLU A 64 -5.612 7.526 -5.788 1.00 0.29 C ATOM 211 O GLU A 64 -4.470 7.217 -6.111 1.00 0.35 O ATOM 212 CB GLU A 64 -7.745 6.753 -6.816 1.00 0.38 C ATOM 213 CG GLU A 64 -8.872 5.748 -6.866 1.00 0.41 C ATOM 214 CD GLU A 64 -9.779 5.964 -8.057 1.00 0.56 C ATOM 215 OE1 GLU A 64 -10.754 6.733 -7.934 1.00 0.69 O ATOM 216 OE2 GLU A 64 -9.528 5.361 -9.121 1.00 0.88 O ATOM 0 H GLU A 64 -8.320 6.764 -4.420 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.284 5.491 -5.892 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.165 7.747 -6.662 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.242 6.767 -7.783 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.457 4.741 -6.906 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.457 5.815 -5.949 1.00 0.41 H new ATOM 223 N LYS A 65 -5.960 8.759 -5.439 1.00 0.27 N ATOM 224 CA LYS A 65 -4.998 9.855 -5.459 1.00 0.30 C ATOM 225 C LYS A 65 -4.032 9.711 -4.299 1.00 0.23 C ATOM 226 O LYS A 65 -2.865 10.083 -4.389 1.00 0.30 O ATOM 227 CB LYS A 65 -5.713 11.193 -5.363 1.00 0.39 C ATOM 228 CG LYS A 65 -6.901 11.303 -6.284 1.00 0.65 C ATOM 229 CD LYS A 65 -7.540 12.679 -6.213 1.00 1.23 C ATOM 230 CE LYS A 65 -8.113 12.969 -4.836 1.00 2.14 C ATOM 231 NZ LYS A 65 -8.710 14.328 -4.765 1.00 2.98 N ATOM 0 H LYS A 65 -6.898 9.025 -5.140 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.448 9.817 -6.399 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.043 11.347 -4.336 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.008 11.991 -5.595 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.588 11.099 -7.308 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.638 10.545 -6.019 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -6.798 13.437 -6.464 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -8.333 12.750 -6.958 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -8.872 12.225 -4.593 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -7.326 12.878 -4.088 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -9.091 14.490 -3.811 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -7.980 15.039 -4.972 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -9.478 14.407 -5.462 1.00 2.98 H new ATOM 245 N LEU A 66 -4.550 9.174 -3.212 1.00 0.16 N ATOM 246 CA LEU A 66 -3.779 8.935 -2.007 1.00 0.15 C ATOM 247 C LEU A 66 -2.605 7.993 -2.247 1.00 0.15 C ATOM 248 O LEU A 66 -1.479 8.279 -1.846 1.00 0.18 O ATOM 249 CB LEU A 66 -4.702 8.359 -0.952 1.00 0.15 C ATOM 250 CG LEU A 66 -4.815 9.204 0.291 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.048 8.822 1.091 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.543 9.044 1.093 1.00 0.22 C ATOM 0 H LEU A 66 -5.527 8.889 -3.139 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.357 9.884 -1.674 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.695 8.231 -1.383 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.345 7.367 -0.674 1.00 0.15 H new ATOM 0 HG LEU A 66 -4.934 10.254 0.025 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.110 9.444 1.984 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -6.939 8.973 0.481 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -5.982 7.774 1.383 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.605 9.649 1.998 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.413 7.996 1.365 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.692 9.372 0.495 1.00 0.22 H new ATOM 264 N PHE A 67 -2.882 6.862 -2.876 1.00 0.14 N ATOM 265 CA PHE A 67 -1.845 5.896 -3.206 1.00 0.15 C ATOM 266 C PHE A 67 -0.730 6.555 -4.026 1.00 0.17 C ATOM 267 O PHE A 67 0.455 6.305 -3.799 1.00 0.20 O ATOM 268 CB PHE A 67 -2.453 4.719 -3.967 1.00 0.15 C ATOM 269 CG PHE A 67 -1.760 3.429 -3.685 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.631 3.061 -4.386 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.236 2.593 -2.697 1.00 0.17 C ATOM 272 CE1 PHE A 67 0.013 1.872 -4.109 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.602 1.406 -2.411 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.473 1.042 -3.118 1.00 0.19 C ATOM 0 H PHE A 67 -3.820 6.589 -3.169 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.405 5.525 -2.280 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.506 4.626 -3.702 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.410 4.923 -5.037 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.247 3.710 -5.159 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.118 2.874 -2.140 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.895 1.591 -4.666 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -1.986 0.760 -1.635 1.00 0.18 H new ATOM 0 HZ PHE A 67 0.028 0.111 -2.897 1.00 0.19 H new ATOM 284 N GLU A 68 -1.127 7.413 -4.961 1.00 0.18 N ATOM 285 CA GLU A 68 -0.185 8.193 -5.770 1.00 0.23 C ATOM 286 C GLU A 68 0.727 9.001 -4.882 1.00 0.19 C ATOM 287 O GLU A 68 1.937 9.021 -5.068 1.00 0.24 O ATOM 288 CB GLU A 68 -0.934 9.174 -6.645 1.00 0.40 C ATOM 289 CG GLU A 68 -2.116 8.575 -7.315 1.00 0.54 C ATOM 290 CD GLU A 68 -1.765 7.809 -8.575 1.00 1.13 C ATOM 291 OE1 GLU A 68 -1.317 6.646 -8.457 1.00 1.39 O ATOM 292 OE2 GLU A 68 -1.949 8.344 -9.684 1.00 1.81 O ATOM 0 H GLU A 68 -2.107 7.590 -5.182 1.00 0.18 H new ATOM 0 HA GLU A 68 0.388 7.491 -6.375 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -1.258 10.019 -6.038 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -0.256 9.567 -7.402 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.619 7.904 -6.618 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -2.824 9.366 -7.564 1.00 0.54 H new ATOM 299 N GLU A 69 0.118 9.670 -3.915 1.00 0.19 N ATOM 300 CA GLU A 69 0.854 10.525 -2.983 1.00 0.22 C ATOM 301 C GLU A 69 2.006 9.764 -2.332 1.00 0.20 C ATOM 302 O GLU A 69 3.089 10.315 -2.121 1.00 0.28 O ATOM 303 CB GLU A 69 -0.091 11.035 -1.904 1.00 0.26 C ATOM 304 CG GLU A 69 -1.241 11.852 -2.451 1.00 0.34 C ATOM 305 CD GLU A 69 -0.897 13.316 -2.587 1.00 1.02 C ATOM 306 OE1 GLU A 69 -0.791 14.000 -1.547 1.00 1.78 O ATOM 307 OE2 GLU A 69 -0.744 13.795 -3.732 1.00 1.31 O ATOM 0 H GLU A 69 -0.888 9.640 -3.751 1.00 0.19 H new ATOM 0 HA GLU A 69 1.268 11.364 -3.542 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.490 10.186 -1.349 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.472 11.642 -1.195 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.531 11.458 -3.425 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -2.104 11.744 -1.794 1.00 0.34 H new ATOM 314 N PHE A 70 1.767 8.496 -2.032 1.00 0.15 N ATOM 315 CA PHE A 70 2.791 7.633 -1.465 1.00 0.13 C ATOM 316 C PHE A 70 3.799 7.235 -2.538 1.00 0.13 C ATOM 317 O PHE A 70 5.004 7.268 -2.311 1.00 0.14 O ATOM 318 CB PHE A 70 2.132 6.394 -0.856 1.00 0.12 C ATOM 319 CG PHE A 70 3.043 5.569 0.012 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.188 5.008 -0.509 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.733 5.333 1.339 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.012 4.225 0.267 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.557 4.555 2.130 1.00 0.11 C ATOM 324 CZ PHE A 70 4.698 3.998 1.591 1.00 0.11 C ATOM 0 H PHE A 70 0.866 8.040 -2.173 1.00 0.15 H new ATOM 0 HA PHE A 70 3.325 8.171 -0.682 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.273 6.708 -0.264 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.751 5.767 -1.662 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.443 5.185 -1.543 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.837 5.762 1.762 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.903 3.789 -0.160 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.308 4.384 3.167 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.344 3.386 2.204 1.00 0.11 H new ATOM 334 N LEU A 71 3.305 6.887 -3.711 1.00 0.14 N ATOM 335 CA LEU A 71 4.144 6.381 -4.779 1.00 0.15 C ATOM 336 C LEU A 71 5.036 7.445 -5.360 1.00 0.16 C ATOM 337 O LEU A 71 6.202 7.201 -5.654 1.00 0.18 O ATOM 338 CB LEU A 71 3.258 5.826 -5.859 1.00 0.17 C ATOM 339 CG LEU A 71 2.558 4.556 -5.458 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.672 4.094 -6.577 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.598 3.520 -5.118 1.00 0.16 C ATOM 0 H LEU A 71 2.315 6.947 -3.949 1.00 0.14 H new ATOM 0 HA LEU A 71 4.792 5.608 -4.365 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.513 6.574 -6.129 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.857 5.637 -6.750 1.00 0.17 H new ATOM 0 HG LEU A 71 1.930 4.724 -4.583 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.166 3.174 -6.284 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.930 4.863 -6.795 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.275 3.909 -7.466 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.106 2.593 -4.825 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.228 3.337 -5.989 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.214 3.880 -4.294 1.00 0.16 H new ATOM 353 N GLU A 72 4.482 8.615 -5.544 1.00 0.16 N ATOM 354 CA GLU A 72 5.227 9.727 -6.075 1.00 0.19 C ATOM 355 C GLU A 72 6.284 10.157 -5.078 1.00 0.18 C ATOM 356 O GLU A 72 7.352 10.635 -5.452 1.00 0.21 O ATOM 357 CB GLU A 72 4.276 10.841 -6.463 1.00 0.24 C ATOM 358 CG GLU A 72 3.324 10.381 -7.554 1.00 0.29 C ATOM 359 CD GLU A 72 2.325 11.444 -7.955 1.00 0.73 C ATOM 360 OE1 GLU A 72 2.705 12.628 -8.032 1.00 1.21 O ATOM 361 OE2 GLU A 72 1.142 11.102 -8.169 1.00 1.17 O ATOM 0 H GLU A 72 3.506 8.824 -5.331 1.00 0.16 H new ATOM 0 HA GLU A 72 5.754 9.436 -6.983 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.708 11.161 -5.590 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.843 11.705 -6.809 1.00 0.24 H new ATOM 0 HG2 GLU A 72 3.901 10.084 -8.430 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.787 9.497 -7.211 1.00 0.29 H new ATOM 368 N LEU A 73 5.979 9.964 -3.804 1.00 0.16 N ATOM 369 CA LEU A 73 6.967 10.091 -2.758 1.00 0.16 C ATOM 370 C LEU A 73 7.985 8.962 -2.883 1.00 0.15 C ATOM 371 O LEU A 73 9.190 9.194 -2.803 1.00 0.18 O ATOM 372 CB LEU A 73 6.272 10.030 -1.399 1.00 0.16 C ATOM 373 CG LEU A 73 7.180 9.753 -0.206 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.433 11.022 0.589 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.556 8.677 0.660 1.00 0.16 C ATOM 0 H LEU A 73 5.046 9.717 -3.474 1.00 0.16 H new ATOM 0 HA LEU A 73 7.485 11.045 -2.850 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.759 10.977 -1.230 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.506 9.255 -1.437 1.00 0.16 H new ATOM 0 HG LEU A 73 8.147 9.400 -0.565 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.083 10.798 1.435 1.00 0.23 H new ATOM 0 HD12 LEU A 73 7.912 11.763 -0.051 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.485 11.417 0.955 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.203 8.477 1.514 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.582 9.014 1.014 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.434 7.765 0.076 1.00 0.16 H new ATOM 387 N CYS A 74 7.492 7.743 -3.108 1.00 0.13 N ATOM 388 CA CYS A 74 8.344 6.574 -3.234 1.00 0.13 C ATOM 389 C CYS A 74 9.317 6.741 -4.401 1.00 0.15 C ATOM 390 O CYS A 74 10.466 6.325 -4.314 1.00 0.18 O ATOM 391 CB CYS A 74 7.480 5.325 -3.417 1.00 0.16 C ATOM 392 SG CYS A 74 8.378 3.769 -3.261 1.00 0.50 S ATOM 0 H CYS A 74 6.496 7.546 -3.207 1.00 0.13 H new ATOM 0 HA CYS A 74 8.933 6.462 -2.324 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.677 5.342 -2.680 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.011 5.363 -4.400 1.00 0.16 H new ATOM 0 HG CYS A 74 9.454 3.814 -3.989 1.00 0.50 H new ATOM 398 N LYS A 75 8.861 7.374 -5.483 1.00 0.18 N ATOM 399 CA LYS A 75 9.716 7.688 -6.615 1.00 0.22 C ATOM 400 C LYS A 75 10.940 8.499 -6.194 1.00 0.22 C ATOM 401 O LYS A 75 12.001 8.399 -6.806 1.00 0.26 O ATOM 402 CB LYS A 75 8.946 8.461 -7.677 1.00 0.28 C ATOM 403 CG LYS A 75 8.582 7.583 -8.846 1.00 0.57 C ATOM 404 CD LYS A 75 7.349 6.753 -8.567 1.00 0.61 C ATOM 405 CE LYS A 75 6.068 7.480 -8.945 1.00 0.38 C ATOM 406 NZ LYS A 75 5.931 7.640 -10.414 1.00 0.96 N ATOM 0 H LYS A 75 7.894 7.679 -5.594 1.00 0.18 H new ATOM 0 HA LYS A 75 10.054 6.738 -7.028 1.00 0.22 H new ATOM 0 HB2 LYS A 75 8.040 8.879 -7.239 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.548 9.301 -8.025 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.410 8.203 -9.726 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.418 6.924 -9.079 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.410 5.817 -9.122 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.319 6.495 -7.508 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.211 6.928 -8.559 1.00 0.38 H new ATOM 0 HE3 LYS A 75 6.055 8.461 -8.471 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 4.935 7.819 -10.652 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.512 8.442 -10.732 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 6.250 6.772 -10.889 1.00 0.96 H new ATOM 420 N MET A 76 10.788 9.288 -5.139 1.00 0.22 N ATOM 421 CA MET A 76 11.853 10.172 -4.695 1.00 0.26 C ATOM 422 C MET A 76 12.726 9.443 -3.702 1.00 0.25 C ATOM 423 O MET A 76 13.940 9.623 -3.665 1.00 0.32 O ATOM 424 CB MET A 76 11.289 11.429 -4.018 1.00 0.29 C ATOM 425 CG MET A 76 10.090 12.043 -4.708 1.00 0.27 C ATOM 426 SD MET A 76 9.586 13.610 -3.966 1.00 0.32 S ATOM 427 CE MET A 76 9.150 13.082 -2.311 1.00 0.35 C ATOM 0 H MET A 76 9.938 9.333 -4.577 1.00 0.22 H new ATOM 0 HA MET A 76 12.429 10.472 -5.570 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.011 11.179 -2.994 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.079 12.178 -3.960 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.324 12.203 -5.761 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.256 11.343 -4.670 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.118 13.363 -2.099 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.254 12.000 -2.235 1.00 0.35 H new ATOM 0 HE3 MET A 76 9.812 13.561 -1.590 1.00 0.35 H new ATOM 437 N GLN A 77 12.084 8.614 -2.901 1.00 0.21 N ATOM 438 CA GLN A 77 12.751 7.907 -1.830 1.00 0.22 C ATOM 439 C GLN A 77 13.469 6.677 -2.365 1.00 0.21 C ATOM 440 O GLN A 77 14.692 6.564 -2.273 1.00 0.24 O ATOM 441 CB GLN A 77 11.713 7.470 -0.801 1.00 0.23 C ATOM 442 CG GLN A 77 10.782 8.571 -0.319 1.00 0.30 C ATOM 443 CD GLN A 77 11.426 9.546 0.637 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.621 9.825 0.566 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.621 10.067 1.550 1.00 0.48 N ATOM 0 H GLN A 77 11.087 8.413 -2.976 1.00 0.21 H new ATOM 0 HA GLN A 77 13.485 8.571 -1.373 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.112 6.669 -1.231 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.232 7.051 0.061 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.407 9.119 -1.183 1.00 0.30 H new ATOM 0 HG3 GLN A 77 9.920 8.116 0.169 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.635 9.805 1.570 1.00 0.48 H new ATOM 0 HE22 GLN A 77 10.986 10.730 2.233 1.00 0.48 H new ATOM 454 N THR A 78 12.702 5.774 -2.960 1.00 0.18 N ATOM 455 CA THR A 78 13.247 4.549 -3.505 1.00 0.20 C ATOM 456 C THR A 78 13.713 4.788 -4.929 1.00 0.22 C ATOM 457 O THR A 78 13.402 4.029 -5.844 1.00 0.24 O ATOM 458 CB THR A 78 12.210 3.406 -3.477 1.00 0.20 C ATOM 459 OG1 THR A 78 11.128 3.688 -4.372 1.00 0.56 O ATOM 460 CG2 THR A 78 11.662 3.217 -2.075 1.00 0.42 C ATOM 0 H THR A 78 11.693 5.873 -3.076 1.00 0.18 H new ATOM 0 HA THR A 78 14.092 4.249 -2.885 1.00 0.20 H new ATOM 0 HB THR A 78 12.711 2.491 -3.793 1.00 0.20 H new ATOM 0 HG1 THR A 78 10.973 4.655 -4.403 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.933 2.407 -2.076 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.478 2.970 -1.396 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.181 4.138 -1.745 1.00 0.42 H new ATOM 468 N ALA A 79 14.449 5.866 -5.107 1.00 0.25 N ATOM 469 CA ALA A 79 14.969 6.229 -6.408 1.00 0.30 C ATOM 470 C ALA A 79 16.051 5.245 -6.833 1.00 0.34 C ATOM 471 O ALA A 79 16.294 5.038 -8.024 1.00 0.42 O ATOM 472 CB ALA A 79 15.493 7.648 -6.357 1.00 0.32 C ATOM 0 H ALA A 79 14.702 6.511 -4.359 1.00 0.25 H new ATOM 0 HA ALA A 79 14.174 6.183 -7.153 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.886 7.926 -7.335 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.683 8.325 -6.085 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.288 7.716 -5.614 1.00 0.32 H new ATOM 478 N ASP A 80 16.687 4.633 -5.841 1.00 0.35 N ATOM 479 CA ASP A 80 17.673 3.585 -6.075 1.00 0.44 C ATOM 480 C ASP A 80 16.987 2.293 -6.488 1.00 0.38 C ATOM 481 O ASP A 80 17.554 1.471 -7.208 1.00 0.44 O ATOM 482 CB ASP A 80 18.492 3.328 -4.813 1.00 0.59 C ATOM 483 CG ASP A 80 19.443 4.450 -4.476 1.00 1.31 C ATOM 484 OD1 ASP A 80 18.985 5.508 -3.992 1.00 2.29 O ATOM 485 OD2 ASP A 80 20.663 4.269 -4.667 1.00 1.68 O ATOM 0 H ASP A 80 16.535 4.848 -4.856 1.00 0.35 H new ATOM 0 HA ASP A 80 18.334 3.920 -6.875 1.00 0.44 H new ATOM 0 HB2 ASP A 80 17.814 3.173 -3.974 1.00 0.59 H new ATOM 0 HB3 ASP A 80 19.060 2.406 -4.939 1.00 0.59 H new ATOM 490 N HIS A 81 15.754 2.127 -6.032 1.00 0.35 N ATOM 491 CA HIS A 81 14.992 0.912 -6.295 1.00 0.39 C ATOM 492 C HIS A 81 13.589 1.249 -6.776 1.00 0.34 C ATOM 493 O HIS A 81 12.629 1.174 -6.007 1.00 0.30 O ATOM 494 CB HIS A 81 14.899 0.031 -5.043 1.00 0.49 C ATOM 495 CG HIS A 81 16.152 -0.728 -4.731 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.430 -1.962 -5.270 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.191 -0.435 -3.914 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.582 -2.396 -4.802 1.00 2.11 C ATOM 499 NE2 HIS A 81 18.068 -1.490 -3.974 1.00 1.12 N ATOM 0 H HIS A 81 15.257 2.822 -5.475 1.00 0.35 H new ATOM 0 HA HIS A 81 15.519 0.362 -7.074 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.646 0.659 -4.189 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.081 -0.678 -5.171 1.00 0.49 H new ATOM 0 HD1 HIS A 81 15.836 -2.464 -5.930 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.308 0.462 -3.324 1.00 0.60 H new ATOM 0 HE1 HIS A 81 18.051 -3.336 -5.054 1.00 2.11 H new ATOM 508 N PRO A 82 13.448 1.623 -8.056 1.00 0.39 N ATOM 509 CA PRO A 82 12.147 1.944 -8.650 1.00 0.39 C ATOM 510 C PRO A 82 11.267 0.708 -8.856 1.00 0.35 C ATOM 511 O PRO A 82 10.396 0.693 -9.719 1.00 0.39 O ATOM 512 CB PRO A 82 12.526 2.560 -9.993 1.00 0.50 C ATOM 513 CG PRO A 82 13.835 1.953 -10.333 1.00 0.53 C ATOM 514 CD PRO A 82 14.547 1.785 -9.027 1.00 0.48 C ATOM 0 HA PRO A 82 11.557 2.599 -8.009 1.00 0.39 H new ATOM 0 HB2 PRO A 82 11.778 2.339 -10.754 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.599 3.645 -9.924 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.705 0.995 -10.836 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.401 2.593 -11.009 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.205 0.916 -9.037 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.166 2.651 -8.793 1.00 0.48 H new ATOM 522 N GLU A 83 11.513 -0.323 -8.056 1.00 0.29 N ATOM 523 CA GLU A 83 10.746 -1.561 -8.107 1.00 0.26 C ATOM 524 C GLU A 83 9.534 -1.467 -7.176 1.00 0.19 C ATOM 525 O GLU A 83 8.483 -2.047 -7.441 1.00 0.22 O ATOM 526 CB GLU A 83 11.639 -2.731 -7.680 1.00 0.33 C ATOM 527 CG GLU A 83 12.975 -2.778 -8.404 1.00 0.49 C ATOM 528 CD GLU A 83 14.002 -3.627 -7.682 1.00 1.32 C ATOM 529 OE1 GLU A 83 14.589 -3.139 -6.696 1.00 2.05 O ATOM 530 OE2 GLU A 83 14.248 -4.775 -8.107 1.00 1.72 O ATOM 0 H GLU A 83 12.252 -0.324 -7.352 1.00 0.29 H new ATOM 0 HA GLU A 83 10.395 -1.724 -9.126 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.820 -2.665 -6.607 1.00 0.33 H new ATOM 0 HB3 GLU A 83 11.107 -3.666 -7.857 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.825 -3.173 -9.409 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.360 -1.764 -8.514 1.00 0.49 H new ATOM 537 N VAL A 84 9.711 -0.720 -6.085 1.00 0.15 N ATOM 538 CA VAL A 84 8.688 -0.555 -5.050 1.00 0.11 C ATOM 539 C VAL A 84 7.368 -0.024 -5.609 1.00 0.11 C ATOM 540 O VAL A 84 6.311 -0.626 -5.434 1.00 0.13 O ATOM 541 CB VAL A 84 9.158 0.458 -3.999 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.203 0.459 -2.833 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.584 0.184 -3.550 1.00 0.14 C ATOM 0 H VAL A 84 10.573 -0.209 -5.893 1.00 0.15 H new ATOM 0 HA VAL A 84 8.532 -1.545 -4.622 1.00 0.11 H new ATOM 0 HB VAL A 84 9.160 1.450 -4.452 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.539 1.180 -2.088 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.206 0.733 -3.179 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.171 -0.535 -2.388 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.879 0.923 -2.805 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.643 -0.813 -3.114 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.254 0.245 -4.408 1.00 0.14 H new ATOM 553 N VAL A 85 7.460 1.124 -6.261 1.00 0.11 N ATOM 554 CA VAL A 85 6.301 1.825 -6.817 1.00 0.13 C ATOM 555 C VAL A 85 5.455 0.917 -7.729 1.00 0.15 C ATOM 556 O VAL A 85 4.259 0.757 -7.489 1.00 0.16 O ATOM 557 CB VAL A 85 6.760 3.088 -7.575 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.587 3.973 -7.943 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.770 3.859 -6.744 1.00 0.15 C ATOM 0 H VAL A 85 8.345 1.604 -6.423 1.00 0.11 H new ATOM 0 HA VAL A 85 5.662 2.120 -5.984 1.00 0.13 H new ATOM 0 HB VAL A 85 7.234 2.769 -8.503 1.00 0.15 H new ATOM 0 HG11 VAL A 85 5.948 4.853 -8.476 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.899 3.419 -8.582 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.068 4.285 -7.037 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.087 4.748 -7.289 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.314 4.156 -5.800 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.636 3.227 -6.546 1.00 0.15 H new ATOM 569 N PRO A 86 6.048 0.305 -8.780 1.00 0.17 N ATOM 570 CA PRO A 86 5.329 -0.643 -9.644 1.00 0.20 C ATOM 571 C PRO A 86 4.775 -1.835 -8.866 1.00 0.18 C ATOM 572 O PRO A 86 3.736 -2.391 -9.223 1.00 0.20 O ATOM 573 CB PRO A 86 6.391 -1.113 -10.643 1.00 0.23 C ATOM 574 CG PRO A 86 7.435 -0.054 -10.624 1.00 0.22 C ATOM 575 CD PRO A 86 7.439 0.497 -9.230 1.00 0.17 C ATOM 0 HA PRO A 86 4.464 -0.176 -10.114 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.804 -2.079 -10.354 1.00 0.23 H new ATOM 0 HB3 PRO A 86 5.969 -1.233 -11.641 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.411 -0.464 -10.885 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.212 0.727 -11.351 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.145 -0.034 -8.591 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.724 1.549 -9.215 1.00 0.17 H new ATOM 583 N PHE A 87 5.476 -2.227 -7.807 1.00 0.16 N ATOM 584 CA PHE A 87 5.013 -3.305 -6.941 1.00 0.15 C ATOM 585 C PHE A 87 3.731 -2.877 -6.230 1.00 0.14 C ATOM 586 O PHE A 87 2.708 -3.556 -6.320 1.00 0.16 O ATOM 587 CB PHE A 87 6.105 -3.678 -5.924 1.00 0.17 C ATOM 588 CG PHE A 87 5.767 -4.821 -4.997 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.547 -5.476 -5.064 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.685 -5.236 -4.053 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.250 -6.514 -4.209 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.393 -6.275 -3.194 1.00 0.25 C ATOM 593 CZ PHE A 87 5.175 -6.915 -3.272 1.00 0.38 C ATOM 0 H PHE A 87 6.366 -1.814 -7.528 1.00 0.16 H new ATOM 0 HA PHE A 87 4.800 -4.187 -7.546 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.014 -3.932 -6.470 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.331 -2.799 -5.321 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.818 -5.167 -5.798 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.643 -4.741 -3.986 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.294 -7.012 -4.274 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.120 -6.587 -2.459 1.00 0.25 H new ATOM 0 HZ PHE A 87 4.947 -7.729 -2.600 1.00 0.38 H new ATOM 603 N LEU A 88 3.790 -1.747 -5.535 1.00 0.12 N ATOM 604 CA LEU A 88 2.628 -1.230 -4.828 1.00 0.13 C ATOM 605 C LEU A 88 1.454 -1.049 -5.778 1.00 0.14 C ATOM 606 O LEU A 88 0.318 -1.401 -5.453 1.00 0.16 O ATOM 607 CB LEU A 88 2.958 0.092 -4.137 1.00 0.13 C ATOM 608 CG LEU A 88 3.960 -0.005 -2.993 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.965 1.294 -2.199 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.631 -1.200 -2.108 1.00 0.20 C ATOM 0 H LEU A 88 4.629 -1.173 -5.447 1.00 0.12 H new ATOM 0 HA LEU A 88 2.347 -1.958 -4.067 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.348 0.785 -4.882 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.034 0.523 -3.753 1.00 0.13 H new ATOM 0 HG LEU A 88 4.961 -0.157 -3.398 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.683 1.219 -1.383 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.245 2.119 -2.854 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.970 1.475 -1.792 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.353 -1.260 -1.294 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.629 -1.083 -1.696 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.675 -2.114 -2.700 1.00 0.20 H new ATOM 622 N TYR A 89 1.744 -0.517 -6.960 1.00 0.16 N ATOM 623 CA TYR A 89 0.736 -0.386 -8.006 1.00 0.20 C ATOM 624 C TYR A 89 0.116 -1.741 -8.317 1.00 0.21 C ATOM 625 O TYR A 89 -1.102 -1.907 -8.294 1.00 0.25 O ATOM 626 CB TYR A 89 1.349 0.164 -9.296 1.00 0.22 C ATOM 627 CG TYR A 89 1.195 1.651 -9.486 1.00 0.26 C ATOM 628 CD1 TYR A 89 -0.061 2.221 -9.643 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.304 2.482 -9.522 1.00 0.28 C ATOM 630 CE1 TYR A 89 -0.207 3.580 -9.830 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.169 3.841 -9.711 1.00 0.37 C ATOM 632 CZ TYR A 89 0.910 4.388 -9.865 1.00 0.43 C ATOM 633 OH TYR A 89 0.767 5.744 -10.052 1.00 0.54 O ATOM 0 H TYR A 89 2.668 -0.170 -7.218 1.00 0.16 H new ATOM 0 HA TYR A 89 -0.024 0.304 -7.639 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.411 -0.082 -9.310 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.892 -0.346 -10.144 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.938 1.591 -9.618 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.290 2.058 -9.400 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -1.191 4.009 -9.948 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.043 4.475 -9.739 1.00 0.37 H new ATOM 0 HH TYR A 89 0.032 6.075 -9.494 1.00 0.54 H new ATOM 643 N ASN A 90 0.982 -2.715 -8.562 1.00 0.19 N ATOM 644 CA ASN A 90 0.568 -4.042 -8.992 1.00 0.23 C ATOM 645 C ASN A 90 -0.241 -4.736 -7.907 1.00 0.22 C ATOM 646 O ASN A 90 -1.204 -5.446 -8.197 1.00 0.27 O ATOM 647 CB ASN A 90 1.798 -4.877 -9.330 1.00 0.27 C ATOM 648 CG ASN A 90 1.548 -5.904 -10.412 1.00 0.48 C ATOM 649 OD1 ASN A 90 2.456 -6.245 -11.167 1.00 1.33 O ATOM 650 ND2 ASN A 90 0.330 -6.407 -10.501 1.00 0.67 N ATOM 0 H ASN A 90 1.992 -2.606 -8.468 1.00 0.19 H new ATOM 0 HA ASN A 90 -0.061 -3.939 -9.876 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.602 -4.214 -9.648 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.142 -5.385 -8.429 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.117 -7.104 -11.215 1.00 0.67 H new ATOM 0 HD22 ASN A 90 -0.397 -6.099 -9.856 1.00 0.67 H new ATOM 657 N ARG A 91 0.158 -4.528 -6.659 1.00 0.19 N ATOM 658 CA ARG A 91 -0.539 -5.107 -5.523 1.00 0.20 C ATOM 659 C ARG A 91 -1.943 -4.530 -5.414 1.00 0.20 C ATOM 660 O ARG A 91 -2.896 -5.251 -5.135 1.00 0.22 O ATOM 661 CB ARG A 91 0.245 -4.845 -4.239 1.00 0.22 C ATOM 662 CG ARG A 91 -0.406 -5.400 -2.981 1.00 0.26 C ATOM 663 CD ARG A 91 -0.536 -6.907 -3.019 1.00 0.36 C ATOM 664 NE ARG A 91 0.748 -7.543 -3.338 1.00 0.80 N ATOM 665 CZ ARG A 91 1.013 -8.837 -3.167 1.00 0.73 C ATOM 666 NH1 ARG A 91 0.073 -9.654 -2.721 1.00 1.38 N ATOM 667 NH2 ARG A 91 2.228 -9.308 -3.441 1.00 1.25 N ATOM 0 H ARG A 91 0.966 -3.958 -6.409 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.619 -6.184 -5.671 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.240 -5.279 -4.340 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.377 -3.769 -4.121 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.184 -5.110 -2.111 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.394 -4.955 -2.859 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -0.894 -7.268 -2.055 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.280 -7.192 -3.762 1.00 0.36 H new ATOM 0 HE ARG A 91 1.489 -6.953 -3.717 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -0.857 -9.293 -2.507 1.00 1.38 H new ATOM 0 HH12 ARG A 91 0.278 -10.645 -2.591 1.00 1.38 H new ATOM 0 HH21 ARG A 91 2.954 -8.678 -3.781 1.00 1.25 H new ATOM 0 HH22 ARG A 91 2.432 -10.299 -3.310 1.00 1.25 H new ATOM 681 N GLN A 92 -2.062 -3.229 -5.652 1.00 0.19 N ATOM 682 CA GLN A 92 -3.353 -2.552 -5.598 1.00 0.21 C ATOM 683 C GLN A 92 -4.263 -3.077 -6.700 1.00 0.24 C ATOM 684 O GLN A 92 -5.473 -3.182 -6.526 1.00 0.26 O ATOM 685 CB GLN A 92 -3.178 -1.039 -5.736 1.00 0.23 C ATOM 686 CG GLN A 92 -4.445 -0.248 -5.439 1.00 0.34 C ATOM 687 CD GLN A 92 -4.288 1.233 -5.717 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.528 1.634 -6.596 1.00 0.71 O ATOM 689 NE2 GLN A 92 -5.006 2.059 -4.969 1.00 0.78 N ATOM 0 H GLN A 92 -1.278 -2.620 -5.885 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.810 -2.757 -4.630 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.388 -0.710 -5.061 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.847 -0.811 -6.749 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.264 -0.642 -6.041 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.721 -0.390 -4.394 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -5.626 1.687 -4.249 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -4.939 3.067 -5.113 1.00 0.78 H new ATOM 698 N GLN A 93 -3.660 -3.406 -7.837 1.00 0.26 N ATOM 699 CA GLN A 93 -4.404 -3.931 -8.977 1.00 0.32 C ATOM 700 C GLN A 93 -4.917 -5.334 -8.674 1.00 0.34 C ATOM 701 O GLN A 93 -5.938 -5.761 -9.211 1.00 0.40 O ATOM 702 CB GLN A 93 -3.531 -3.978 -10.239 1.00 0.36 C ATOM 703 CG GLN A 93 -2.852 -2.670 -10.593 1.00 0.38 C ATOM 704 CD GLN A 93 -3.811 -1.515 -10.695 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.367 -1.234 -11.755 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.000 -0.835 -9.587 1.00 0.57 N ATOM 0 H GLN A 93 -2.656 -3.318 -7.994 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.245 -3.261 -9.156 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.766 -4.743 -10.106 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.150 -4.289 -11.080 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.098 -2.443 -9.839 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.329 -2.785 -11.542 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.515 -1.108 -8.732 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.632 -0.034 -9.582 1.00 0.57 H new ATOM 715 N ARG A 94 -4.195 -6.056 -7.822 1.00 0.33 N ATOM 716 CA ARG A 94 -4.604 -7.402 -7.447 1.00 0.38 C ATOM 717 C ARG A 94 -5.581 -7.373 -6.286 1.00 0.32 C ATOM 718 O ARG A 94 -6.380 -8.294 -6.109 1.00 0.46 O ATOM 719 CB ARG A 94 -3.407 -8.272 -7.098 1.00 0.47 C ATOM 720 CG ARG A 94 -2.848 -8.971 -8.312 1.00 0.70 C ATOM 721 CD ARG A 94 -1.390 -8.655 -8.493 1.00 0.95 C ATOM 722 NE ARG A 94 -0.552 -9.296 -7.477 1.00 1.67 N ATOM 723 CZ ARG A 94 0.779 -9.197 -7.431 1.00 2.40 C ATOM 724 NH1 ARG A 94 1.428 -8.465 -8.329 1.00 2.73 N ATOM 725 NH2 ARG A 94 1.464 -9.847 -6.501 1.00 3.24 N ATOM 0 H ARG A 94 -3.332 -5.734 -7.383 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.103 -7.838 -8.313 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.631 -7.656 -6.644 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.701 -9.014 -6.355 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.980 -10.048 -8.209 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -3.403 -8.666 -9.199 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -1.070 -8.981 -9.483 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -1.247 -7.575 -8.451 1.00 0.95 H new ATOM 0 HE ARG A 94 -1.014 -9.854 -6.759 1.00 1.67 H new ATOM 0 HH11 ARG A 94 0.910 -7.975 -9.058 1.00 2.73 H new ATOM 0 HH12 ARG A 94 2.445 -8.393 -8.289 1.00 2.73 H new ATOM 0 HH21 ARG A 94 0.975 -10.425 -5.818 1.00 3.24 H new ATOM 0 HH22 ARG A 94 2.481 -9.769 -6.469 1.00 3.24 H new ATOM 739 N ALA A 95 -5.506 -6.312 -5.496 1.00 0.28 N ATOM 740 CA ALA A 95 -6.388 -6.136 -4.368 1.00 0.25 C ATOM 741 C ALA A 95 -7.804 -5.842 -4.852 1.00 0.26 C ATOM 742 O ALA A 95 -8.002 -5.084 -5.803 1.00 0.36 O ATOM 743 CB ALA A 95 -5.854 -5.019 -3.488 1.00 0.25 C ATOM 0 H ALA A 95 -4.833 -5.556 -5.624 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.427 -7.051 -3.778 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.516 -4.881 -2.633 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.856 -5.279 -3.135 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.806 -4.094 -4.063 1.00 0.25 H new ATOM 749 N HIS A 96 -8.778 -6.476 -4.217 1.00 0.29 N ATOM 750 CA HIS A 96 -10.172 -6.310 -4.596 1.00 0.29 C ATOM 751 C HIS A 96 -10.622 -4.879 -4.349 1.00 0.27 C ATOM 752 O HIS A 96 -10.334 -4.290 -3.302 1.00 0.29 O ATOM 753 CB HIS A 96 -11.074 -7.277 -3.832 1.00 0.33 C ATOM 754 CG HIS A 96 -12.427 -7.433 -4.454 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.467 -6.596 -4.133 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.846 -8.319 -5.391 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.489 -6.989 -4.878 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.160 -8.028 -5.657 1.00 0.50 N ATOM 0 H HIS A 96 -8.627 -7.112 -3.434 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.255 -6.533 -5.660 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.590 -8.252 -3.780 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.190 -6.924 -2.807 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.257 -9.104 -5.842 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.466 -6.529 -4.860 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.768 -8.509 -6.319 1.00 0.50 H new ATOM 766 N SER A 97 -11.362 -4.353 -5.313 1.00 0.32 N ATOM 767 CA SER A 97 -11.725 -2.943 -5.354 1.00 0.37 C ATOM 768 C SER A 97 -12.618 -2.519 -4.186 1.00 0.33 C ATOM 769 O SER A 97 -12.708 -1.332 -3.885 1.00 0.39 O ATOM 770 CB SER A 97 -12.435 -2.649 -6.676 1.00 0.48 C ATOM 771 OG SER A 97 -11.732 -3.228 -7.767 1.00 1.46 O ATOM 0 H SER A 97 -11.730 -4.895 -6.094 1.00 0.32 H new ATOM 0 HA SER A 97 -10.803 -2.367 -5.270 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.451 -3.042 -6.643 1.00 0.48 H new ATOM 0 HB3 SER A 97 -12.514 -1.571 -6.820 1.00 0.48 H new ATOM 0 HG SER A 97 -12.204 -3.029 -8.603 1.00 1.46 H new ATOM 777 N LEU A 98 -13.262 -3.472 -3.518 1.00 0.29 N ATOM 778 CA LEU A 98 -14.238 -3.134 -2.491 1.00 0.32 C ATOM 779 C LEU A 98 -13.582 -2.573 -1.237 1.00 0.35 C ATOM 780 O LEU A 98 -13.980 -1.515 -0.752 1.00 0.43 O ATOM 781 CB LEU A 98 -15.101 -4.342 -2.150 1.00 0.35 C ATOM 782 CG LEU A 98 -16.234 -4.614 -3.138 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.090 -5.775 -2.657 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.079 -3.360 -3.334 1.00 0.67 C ATOM 0 H LEU A 98 -13.127 -4.472 -3.668 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.876 -2.350 -2.900 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.463 -5.224 -2.097 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.529 -4.198 -1.158 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.801 -4.887 -4.100 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.893 -5.956 -3.372 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.474 -6.670 -2.569 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.518 -5.533 -1.684 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.882 -3.569 -4.041 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.506 -3.056 -2.378 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.453 -2.557 -3.723 1.00 0.67 H new ATOM 796 N PHE A 99 -12.584 -3.272 -0.711 1.00 0.32 N ATOM 797 CA PHE A 99 -11.866 -2.775 0.456 1.00 0.34 C ATOM 798 C PHE A 99 -11.166 -1.468 0.115 1.00 0.34 C ATOM 799 O PHE A 99 -11.180 -0.528 0.908 1.00 0.39 O ATOM 800 CB PHE A 99 -10.872 -3.824 0.991 1.00 0.36 C ATOM 801 CG PHE A 99 -9.459 -3.322 1.199 1.00 0.31 C ATOM 802 CD1 PHE A 99 -9.199 -2.371 2.163 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.395 -3.800 0.445 1.00 0.38 C ATOM 804 CE1 PHE A 99 -7.921 -1.901 2.375 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.112 -3.332 0.662 1.00 0.49 C ATOM 806 CZ PHE A 99 -6.852 -2.420 1.537 1.00 0.58 C ATOM 0 H PHE A 99 -12.257 -4.170 -1.067 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.586 -2.584 1.252 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.248 -4.208 1.939 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.844 -4.663 0.296 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -10.011 -1.988 2.763 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.571 -4.544 -0.318 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -7.719 -1.168 3.142 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.301 -3.743 0.080 1.00 0.49 H new ATOM 0 HZ PHE A 99 -5.845 -2.044 1.646 1.00 0.58 H new ATOM 816 N LEU A 100 -10.550 -1.417 -1.061 1.00 0.31 N ATOM 817 CA LEU A 100 -9.885 -0.206 -1.507 1.00 0.36 C ATOM 818 C LEU A 100 -10.844 0.982 -1.458 1.00 0.45 C ATOM 819 O LEU A 100 -10.530 2.021 -0.886 1.00 0.79 O ATOM 820 CB LEU A 100 -9.357 -0.397 -2.928 1.00 0.37 C ATOM 821 CG LEU A 100 -8.585 -1.699 -3.156 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.115 -1.797 -4.596 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.401 -1.805 -2.206 1.00 0.70 C ATOM 0 H LEU A 100 -10.499 -2.197 -1.717 1.00 0.31 H new ATOM 0 HA LEU A 100 -9.048 -0.001 -0.839 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.198 -0.364 -3.621 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.707 0.442 -3.175 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.261 -2.529 -2.953 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.568 -2.729 -4.738 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -8.977 -1.777 -5.262 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.461 -0.955 -4.823 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.870 -2.739 -2.389 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.726 -0.965 -2.371 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.758 -1.787 -1.176 1.00 0.70 H new ATOM 835 N ALA A 101 -12.039 0.795 -2.004 1.00 0.28 N ATOM 836 CA ALA A 101 -13.018 1.870 -2.107 1.00 0.33 C ATOM 837 C ALA A 101 -13.828 2.040 -0.819 1.00 0.36 C ATOM 838 O ALA A 101 -15.053 2.120 -0.859 1.00 0.57 O ATOM 839 CB ALA A 101 -13.950 1.607 -3.283 1.00 0.36 C ATOM 0 H ALA A 101 -12.355 -0.097 -2.385 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.472 2.799 -2.270 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.680 2.413 -3.356 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.369 1.559 -4.204 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.469 0.660 -3.132 1.00 0.36 H new ATOM 845 N SER A 102 -13.144 2.132 0.314 1.00 0.34 N ATOM 846 CA SER A 102 -13.815 2.282 1.592 1.00 0.36 C ATOM 847 C SER A 102 -13.062 3.268 2.468 1.00 0.36 C ATOM 848 O SER A 102 -11.986 3.748 2.092 1.00 0.46 O ATOM 849 CB SER A 102 -13.932 0.937 2.312 1.00 0.40 C ATOM 850 OG SER A 102 -12.665 0.488 2.758 1.00 1.39 O ATOM 0 H SER A 102 -12.126 2.105 0.371 1.00 0.34 H new ATOM 0 HA SER A 102 -14.819 2.661 1.402 1.00 0.36 H new ATOM 0 HB2 SER A 102 -14.608 1.033 3.162 1.00 0.40 H new ATOM 0 HB3 SER A 102 -14.368 0.198 1.640 1.00 0.40 H new ATOM 0 HG SER A 102 -12.095 0.296 1.984 1.00 1.39 H new ATOM 856 N ALA A 103 -13.615 3.562 3.633 1.00 0.35 N ATOM 857 CA ALA A 103 -12.960 4.447 4.580 1.00 0.36 C ATOM 858 C ALA A 103 -11.680 3.816 5.086 1.00 0.29 C ATOM 859 O ALA A 103 -10.709 4.507 5.393 1.00 0.30 O ATOM 860 CB ALA A 103 -13.882 4.750 5.745 1.00 0.44 C ATOM 0 H ALA A 103 -14.516 3.200 3.945 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.719 5.380 4.071 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.376 5.414 6.446 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.787 5.232 5.377 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.146 3.821 6.251 1.00 0.44 H new ATOM 866 N GLU A 104 -11.681 2.494 5.128 1.00 0.29 N ATOM 867 CA GLU A 104 -10.587 1.747 5.708 1.00 0.30 C ATOM 868 C GLU A 104 -9.281 2.038 4.984 1.00 0.26 C ATOM 869 O GLU A 104 -8.297 2.448 5.602 1.00 0.30 O ATOM 870 CB GLU A 104 -10.905 0.254 5.667 1.00 0.39 C ATOM 871 CG GLU A 104 -9.784 -0.619 6.196 1.00 0.49 C ATOM 872 CD GLU A 104 -10.198 -2.063 6.355 1.00 1.02 C ATOM 873 OE1 GLU A 104 -10.837 -2.391 7.375 1.00 1.15 O ATOM 874 OE2 GLU A 104 -9.888 -2.880 5.468 1.00 1.81 O ATOM 0 H GLU A 104 -12.437 1.915 4.762 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.465 2.057 6.746 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -11.807 0.067 6.250 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.125 -0.034 4.639 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -8.933 -0.562 5.518 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.451 -0.232 7.159 1.00 0.49 H new ATOM 881 N PHE A 105 -9.286 1.862 3.670 1.00 0.22 N ATOM 882 CA PHE A 105 -8.079 2.041 2.885 1.00 0.20 C ATOM 883 C PHE A 105 -7.648 3.504 2.871 1.00 0.19 C ATOM 884 O PHE A 105 -6.453 3.801 2.916 1.00 0.16 O ATOM 885 CB PHE A 105 -8.274 1.524 1.462 1.00 0.21 C ATOM 886 CG PHE A 105 -6.981 1.392 0.714 1.00 0.18 C ATOM 887 CD1 PHE A 105 -5.858 0.893 1.354 1.00 0.18 C ATOM 888 CD2 PHE A 105 -6.884 1.758 -0.617 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.664 0.763 0.685 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.688 1.631 -1.295 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.578 1.134 -0.643 1.00 0.16 C ATOM 0 H PHE A 105 -10.110 1.597 3.130 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.286 1.459 3.354 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.770 0.554 1.497 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -8.935 2.201 0.921 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -5.921 0.602 2.392 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.751 2.146 -1.130 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.796 0.372 1.196 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.621 1.920 -2.333 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.641 1.035 -1.171 1.00 0.16 H new ATOM 901 N CYS A 106 -8.620 4.413 2.803 1.00 0.27 N ATOM 902 CA CYS A 106 -8.341 5.844 2.912 1.00 0.27 C ATOM 903 C CYS A 106 -7.501 6.148 4.157 1.00 0.27 C ATOM 904 O CYS A 106 -6.474 6.827 4.070 1.00 0.28 O ATOM 905 CB CYS A 106 -9.645 6.645 2.954 1.00 0.29 C ATOM 906 SG CYS A 106 -9.408 8.430 3.136 1.00 0.59 S ATOM 0 H CYS A 106 -9.606 4.184 2.673 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.772 6.140 2.031 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.206 6.455 2.039 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.255 6.284 3.782 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.238 9.059 2.358 1.00 0.59 H new ATOM 912 N ASN A 107 -7.936 5.632 5.308 1.00 0.28 N ATOM 913 CA ASN A 107 -7.195 5.806 6.562 1.00 0.30 C ATOM 914 C ASN A 107 -5.819 5.187 6.464 1.00 0.24 C ATOM 915 O ASN A 107 -4.827 5.821 6.803 1.00 0.23 O ATOM 916 CB ASN A 107 -7.923 5.161 7.734 1.00 0.37 C ATOM 917 CG ASN A 107 -9.087 5.997 8.243 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.909 6.877 9.085 1.00 0.78 O ATOM 919 ND2 ASN A 107 -10.286 5.724 7.754 1.00 0.64 N ATOM 0 H ASN A 107 -8.796 5.091 5.399 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.113 6.880 6.731 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -8.292 4.181 7.431 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -7.217 4.998 8.548 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -11.099 6.250 8.074 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.397 4.988 7.057 1.00 0.64 H new ATOM 926 N ILE A 108 -5.777 3.952 5.987 1.00 0.21 N ATOM 927 CA ILE A 108 -4.531 3.220 5.843 1.00 0.17 C ATOM 928 C ILE A 108 -3.502 4.049 5.091 1.00 0.12 C ATOM 929 O ILE A 108 -2.397 4.285 5.575 1.00 0.12 O ATOM 930 CB ILE A 108 -4.793 1.915 5.094 1.00 0.17 C ATOM 931 CG1 ILE A 108 -5.146 0.824 6.081 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.614 1.503 4.222 1.00 0.14 C ATOM 933 CD1 ILE A 108 -6.248 -0.045 5.572 1.00 0.39 C ATOM 0 H ILE A 108 -6.603 3.432 5.690 1.00 0.21 H new ATOM 0 HA ILE A 108 -4.136 3.002 6.835 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.634 2.077 4.420 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.265 0.215 6.281 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -5.444 1.273 7.028 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.849 0.570 3.710 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.417 2.281 3.485 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.731 1.363 4.846 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -6.473 -0.816 6.309 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -7.137 0.560 5.397 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -5.939 -0.514 4.638 1.00 0.39 H new ATOM 945 N LEU A 109 -3.901 4.505 3.918 1.00 0.12 N ATOM 946 CA LEU A 109 -3.060 5.344 3.083 1.00 0.12 C ATOM 947 C LEU A 109 -2.669 6.635 3.775 1.00 0.13 C ATOM 948 O LEU A 109 -1.490 6.951 3.881 1.00 0.13 O ATOM 949 CB LEU A 109 -3.792 5.658 1.798 1.00 0.15 C ATOM 950 CG LEU A 109 -3.645 4.595 0.732 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.732 4.742 -0.294 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.288 4.716 0.085 1.00 0.17 C ATOM 0 H LEU A 109 -4.817 4.304 3.517 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.141 4.795 2.876 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -4.851 5.793 2.019 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.425 6.606 1.405 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.733 3.609 1.188 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.618 3.972 -1.058 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.704 4.634 0.188 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.664 5.726 -0.758 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.182 3.950 -0.683 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.188 5.702 -0.369 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.512 4.584 0.839 1.00 0.17 H new ATOM 964 N SER A 110 -3.663 7.366 4.249 1.00 0.16 N ATOM 965 CA SER A 110 -3.431 8.640 4.915 1.00 0.20 C ATOM 966 C SER A 110 -2.478 8.468 6.099 1.00 0.19 C ATOM 967 O SER A 110 -1.691 9.360 6.414 1.00 0.22 O ATOM 968 CB SER A 110 -4.761 9.235 5.378 1.00 0.28 C ATOM 969 OG SER A 110 -5.634 9.463 4.281 1.00 1.18 O ATOM 0 H SER A 110 -4.645 7.098 4.185 1.00 0.16 H new ATOM 0 HA SER A 110 -2.966 9.325 4.206 1.00 0.20 H new ATOM 0 HB2 SER A 110 -5.236 8.559 6.089 1.00 0.28 H new ATOM 0 HB3 SER A 110 -4.579 10.173 5.902 1.00 0.28 H new ATOM 0 HG SER A 110 -6.062 8.620 4.023 1.00 1.18 H new ATOM 975 N ARG A 111 -2.559 7.313 6.744 1.00 0.18 N ATOM 976 CA ARG A 111 -1.706 6.992 7.868 1.00 0.19 C ATOM 977 C ARG A 111 -0.289 6.596 7.434 1.00 0.16 C ATOM 978 O ARG A 111 0.682 7.226 7.851 1.00 0.17 O ATOM 979 CB ARG A 111 -2.353 5.903 8.707 1.00 0.25 C ATOM 980 CG ARG A 111 -3.539 6.414 9.500 1.00 0.33 C ATOM 981 CD ARG A 111 -3.263 7.789 10.086 1.00 1.22 C ATOM 982 NE ARG A 111 -2.258 7.749 11.148 1.00 1.97 N ATOM 983 CZ ARG A 111 -1.619 8.821 11.611 1.00 2.79 C ATOM 984 NH1 ARG A 111 -1.810 10.011 11.049 1.00 3.10 N ATOM 985 NH2 ARG A 111 -0.774 8.700 12.628 1.00 3.73 N ATOM 0 H ARG A 111 -3.219 6.575 6.499 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.597 7.891 8.474 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.677 5.091 8.056 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.613 5.487 9.391 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -4.417 6.461 8.855 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -3.770 5.714 10.303 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -2.925 8.458 9.294 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -4.189 8.206 10.481 1.00 1.22 H new ATOM 0 HE ARG A 111 -2.033 6.843 11.559 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -2.449 10.105 10.259 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -1.318 10.829 11.408 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -0.615 7.787 13.053 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -0.284 9.520 12.984 1.00 3.73 H new ATOM 999 N VAL A 112 -0.165 5.579 6.576 1.00 0.15 N ATOM 1000 CA VAL A 112 1.155 5.054 6.216 1.00 0.14 C ATOM 1001 C VAL A 112 1.925 6.016 5.321 1.00 0.14 C ATOM 1002 O VAL A 112 3.134 6.169 5.476 1.00 0.15 O ATOM 1003 CB VAL A 112 1.106 3.669 5.531 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.467 2.632 6.434 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.390 3.738 4.200 1.00 0.15 C ATOM 0 H VAL A 112 -0.949 5.109 6.124 1.00 0.15 H new ATOM 0 HA VAL A 112 1.673 4.940 7.168 1.00 0.14 H new ATOM 0 HB VAL A 112 2.135 3.362 5.342 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.447 1.669 5.924 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.046 2.544 7.354 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.552 2.937 6.674 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.373 2.748 3.744 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.632 4.084 4.354 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.913 4.432 3.541 1.00 0.15 H new ATOM 1015 N LEU A 113 1.235 6.667 4.390 1.00 0.15 N ATOM 1016 CA LEU A 113 1.875 7.605 3.503 1.00 0.16 C ATOM 1017 C LEU A 113 2.481 8.754 4.295 1.00 0.17 C ATOM 1018 O LEU A 113 3.631 9.125 4.079 1.00 0.20 O ATOM 1019 CB LEU A 113 0.857 8.109 2.483 1.00 0.16 C ATOM 1020 CG LEU A 113 0.951 9.583 2.149 1.00 0.20 C ATOM 1021 CD1 LEU A 113 2.159 9.840 1.269 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.321 10.056 1.476 1.00 0.27 C ATOM 0 H LEU A 113 0.233 6.555 4.238 1.00 0.15 H new ATOM 0 HA LEU A 113 2.687 7.110 2.970 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.975 7.537 1.563 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.144 7.902 2.861 1.00 0.16 H new ATOM 0 HG LEU A 113 1.072 10.148 3.073 1.00 0.20 H new ATOM 0 HD11 LEU A 113 2.218 10.903 1.034 1.00 0.20 H new ATOM 0 HD12 LEU A 113 3.064 9.533 1.794 1.00 0.20 H new ATOM 0 HD13 LEU A 113 2.064 9.269 0.345 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.236 11.117 1.243 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.476 9.494 0.555 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.167 9.898 2.145 1.00 0.27 H new ATOM 1034 N SER A 114 1.712 9.295 5.229 1.00 0.17 N ATOM 1035 CA SER A 114 2.176 10.400 6.049 1.00 0.21 C ATOM 1036 C SER A 114 3.328 9.941 6.942 1.00 0.18 C ATOM 1037 O SER A 114 4.288 10.678 7.163 1.00 0.20 O ATOM 1038 CB SER A 114 1.017 10.956 6.880 1.00 0.26 C ATOM 1039 OG SER A 114 1.405 12.105 7.616 1.00 1.06 O ATOM 0 H SER A 114 0.763 8.985 5.436 1.00 0.17 H new ATOM 0 HA SER A 114 2.545 11.198 5.405 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.185 11.209 6.222 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.659 10.188 7.566 1.00 0.26 H new ATOM 0 HG SER A 114 0.641 12.435 8.134 1.00 1.06 H new ATOM 1045 N ARG A 115 3.238 8.709 7.435 1.00 0.15 N ATOM 1046 CA ARG A 115 4.312 8.115 8.205 1.00 0.16 C ATOM 1047 C ARG A 115 5.581 7.962 7.377 1.00 0.15 C ATOM 1048 O ARG A 115 6.663 8.271 7.851 1.00 0.18 O ATOM 1049 CB ARG A 115 3.877 6.767 8.767 1.00 0.20 C ATOM 1050 CG ARG A 115 3.019 6.906 10.004 1.00 0.31 C ATOM 1051 CD ARG A 115 3.751 7.717 11.053 1.00 0.53 C ATOM 1052 NE ARG A 115 3.030 7.782 12.320 1.00 0.89 N ATOM 1053 CZ ARG A 115 3.045 8.846 13.124 1.00 1.21 C ATOM 1054 NH1 ARG A 115 3.734 9.930 12.782 1.00 1.63 N ATOM 1055 NH2 ARG A 115 2.369 8.834 14.263 1.00 1.62 N ATOM 0 H ARG A 115 2.426 8.105 7.311 1.00 0.15 H new ATOM 0 HA ARG A 115 4.538 8.788 9.032 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.323 6.220 8.004 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.760 6.174 9.006 1.00 0.20 H new ATOM 0 HG2 ARG A 115 2.076 7.391 9.750 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.774 5.920 10.400 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.735 7.281 11.222 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.911 8.728 10.678 1.00 0.53 H new ATOM 0 HE ARG A 115 2.485 6.969 12.606 1.00 0.89 H new ATOM 0 HH11 ARG A 115 4.252 9.949 11.904 1.00 1.63 H new ATOM 0 HH12 ARG A 115 3.745 10.743 13.398 1.00 1.63 H new ATOM 0 HH21 ARG A 115 1.833 8.008 14.529 1.00 1.62 H new ATOM 0 HH22 ARG A 115 2.384 9.651 14.874 1.00 1.62 H new ATOM 1069 N ALA A 116 5.446 7.492 6.145 1.00 0.15 N ATOM 1070 CA ALA A 116 6.599 7.317 5.266 1.00 0.18 C ATOM 1071 C ALA A 116 7.128 8.660 4.775 1.00 0.21 C ATOM 1072 O ALA A 116 8.303 8.796 4.440 1.00 0.25 O ATOM 1073 CB ALA A 116 6.243 6.423 4.098 1.00 0.20 C ATOM 0 H ALA A 116 4.553 7.225 5.730 1.00 0.15 H new ATOM 0 HA ALA A 116 7.391 6.838 5.841 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.113 6.303 3.453 1.00 0.20 H new ATOM 0 HB2 ALA A 116 5.929 5.447 4.469 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.430 6.874 3.530 1.00 0.20 H new ATOM 1079 N ARG A 117 6.243 9.638 4.721 1.00 0.23 N ATOM 1080 CA ARG A 117 6.606 10.997 4.404 1.00 0.28 C ATOM 1081 C ARG A 117 7.426 11.594 5.550 1.00 0.29 C ATOM 1082 O ARG A 117 8.402 12.313 5.335 1.00 0.39 O ATOM 1083 CB ARG A 117 5.316 11.786 4.158 1.00 0.38 C ATOM 1084 CG ARG A 117 5.440 13.259 4.423 1.00 1.06 C ATOM 1085 CD ARG A 117 6.216 13.938 3.319 1.00 1.15 C ATOM 1086 NE ARG A 117 6.909 15.127 3.793 1.00 1.75 N ATOM 1087 CZ ARG A 117 7.618 15.937 3.011 1.00 2.25 C ATOM 1088 NH1 ARG A 117 7.643 15.739 1.699 1.00 2.33 N ATOM 1089 NH2 ARG A 117 8.282 16.956 3.542 1.00 2.99 N ATOM 0 H ARG A 117 5.247 9.506 4.898 1.00 0.23 H new ATOM 0 HA ARG A 117 7.225 11.038 3.508 1.00 0.28 H new ATOM 0 HB2 ARG A 117 5.004 11.638 3.124 1.00 0.38 H new ATOM 0 HB3 ARG A 117 4.527 11.379 4.790 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.448 13.704 4.503 1.00 1.06 H new ATOM 0 HG3 ARG A 117 5.940 13.421 5.378 1.00 1.06 H new ATOM 0 HD2 ARG A 117 6.940 13.238 2.901 1.00 1.15 H new ATOM 0 HD3 ARG A 117 5.536 14.212 2.513 1.00 1.15 H new ATOM 0 HE ARG A 117 6.847 15.353 4.786 1.00 1.75 H new ATOM 0 HH11 ARG A 117 7.119 14.966 1.290 1.00 2.33 H new ATOM 0 HH12 ARG A 117 8.187 16.360 1.100 1.00 2.33 H new ATOM 0 HH21 ARG A 117 8.248 17.118 4.549 1.00 2.99 H new ATOM 0 HH22 ARG A 117 8.826 17.578 2.944 1.00 2.99 H new ATOM 1103 N SER A 118 7.015 11.265 6.764 1.00 0.28 N ATOM 1104 CA SER A 118 7.686 11.714 7.974 1.00 0.33 C ATOM 1105 C SER A 118 8.970 10.934 8.191 1.00 0.32 C ATOM 1106 O SER A 118 10.016 11.481 8.545 1.00 0.41 O ATOM 1107 CB SER A 118 6.751 11.490 9.156 1.00 0.38 C ATOM 1108 OG SER A 118 7.178 12.193 10.313 1.00 0.62 O ATOM 0 H SER A 118 6.201 10.675 6.939 1.00 0.28 H new ATOM 0 HA SER A 118 7.936 12.771 7.879 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.744 11.811 8.888 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.697 10.424 9.379 1.00 0.38 H new ATOM 0 HG SER A 118 6.552 12.025 11.048 1.00 0.62 H new ATOM 1114 N ARG A 119 8.854 9.641 7.987 1.00 0.26 N ATOM 1115 CA ARG A 119 9.949 8.709 8.176 1.00 0.28 C ATOM 1116 C ARG A 119 10.268 7.954 6.892 1.00 0.26 C ATOM 1117 O ARG A 119 9.822 6.821 6.703 1.00 0.25 O ATOM 1118 CB ARG A 119 9.607 7.698 9.268 1.00 0.33 C ATOM 1119 CG ARG A 119 9.348 8.312 10.625 1.00 0.47 C ATOM 1120 CD ARG A 119 10.608 8.944 11.173 1.00 1.28 C ATOM 1121 NE ARG A 119 10.408 9.492 12.508 1.00 1.54 N ATOM 1122 CZ ARG A 119 10.468 10.788 12.801 1.00 2.39 C ATOM 1123 NH1 ARG A 119 10.622 11.690 11.835 1.00 3.26 N ATOM 1124 NH2 ARG A 119 10.349 11.180 14.061 1.00 2.60 N ATOM 0 H ARG A 119 7.987 9.199 7.681 1.00 0.26 H new ATOM 0 HA ARG A 119 10.822 9.293 8.469 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.725 7.135 8.962 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.426 6.984 9.355 1.00 0.33 H new ATOM 0 HG2 ARG A 119 8.562 9.064 10.546 1.00 0.47 H new ATOM 0 HG3 ARG A 119 8.989 7.547 11.314 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.404 8.200 11.202 1.00 1.28 H new ATOM 0 HD3 ARG A 119 10.938 9.737 10.501 1.00 1.28 H new ATOM 0 HE ARG A 119 10.209 8.840 13.267 1.00 1.54 H new ATOM 0 HH11 ARG A 119 10.695 11.389 10.863 1.00 3.26 H new ATOM 0 HH12 ARG A 119 10.667 12.682 12.066 1.00 3.26 H new ATOM 0 HH21 ARG A 119 10.212 10.489 14.799 1.00 2.60 H new ATOM 0 HH22 ARG A 119 10.394 12.172 14.293 1.00 2.60 H new ATOM 1138 N PRO A 120 11.053 8.566 5.998 1.00 0.29 N ATOM 1139 CA PRO A 120 11.573 7.892 4.804 1.00 0.30 C ATOM 1140 C PRO A 120 12.418 6.689 5.199 1.00 0.27 C ATOM 1141 O PRO A 120 12.530 5.705 4.467 1.00 0.28 O ATOM 1142 CB PRO A 120 12.453 8.961 4.146 1.00 0.37 C ATOM 1143 CG PRO A 120 12.727 9.953 5.221 1.00 0.38 C ATOM 1144 CD PRO A 120 11.499 9.961 6.073 1.00 0.35 C ATOM 0 HA PRO A 120 10.786 7.519 4.149 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.378 8.529 3.763 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.944 9.425 3.301 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.606 9.672 5.801 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.923 10.941 4.804 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.717 10.263 7.097 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.745 10.649 5.692 1.00 0.35 H new ATOM 1152 N ALA A 121 12.980 6.790 6.395 1.00 0.25 N ATOM 1153 CA ALA A 121 13.818 5.757 6.971 1.00 0.28 C ATOM 1154 C ALA A 121 13.085 4.421 7.076 1.00 0.27 C ATOM 1155 O ALA A 121 13.691 3.358 6.959 1.00 0.35 O ATOM 1156 CB ALA A 121 14.289 6.209 8.342 1.00 0.33 C ATOM 0 H ALA A 121 12.863 7.604 6.998 1.00 0.25 H new ATOM 0 HA ALA A 121 14.674 5.602 6.314 1.00 0.28 H new ATOM 0 HB1 ALA A 121 14.920 5.437 8.783 1.00 0.33 H new ATOM 0 HB2 ALA A 121 14.860 7.133 8.244 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.426 6.382 8.985 1.00 0.33 H new ATOM 1162 N LYS A 122 11.784 4.475 7.311 1.00 0.22 N ATOM 1163 CA LYS A 122 10.988 3.267 7.414 1.00 0.27 C ATOM 1164 C LYS A 122 9.868 3.269 6.390 1.00 0.19 C ATOM 1165 O LYS A 122 8.869 2.569 6.548 1.00 0.18 O ATOM 1166 CB LYS A 122 10.442 3.124 8.826 1.00 0.39 C ATOM 1167 CG LYS A 122 11.517 2.773 9.834 1.00 0.49 C ATOM 1168 CD LYS A 122 11.519 1.288 10.144 1.00 0.66 C ATOM 1169 CE LYS A 122 12.507 0.948 11.245 1.00 1.28 C ATOM 1170 NZ LYS A 122 12.131 1.565 12.544 1.00 1.79 N ATOM 0 H LYS A 122 11.259 5.341 7.433 1.00 0.22 H new ATOM 0 HA LYS A 122 11.624 2.408 7.202 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.962 4.057 9.122 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.672 2.352 8.837 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.492 3.067 9.446 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.356 3.338 10.752 1.00 0.49 H new ATOM 0 HD2 LYS A 122 10.518 0.977 10.444 1.00 0.66 H new ATOM 0 HD3 LYS A 122 11.770 0.728 9.243 1.00 0.66 H new ATOM 0 HE2 LYS A 122 12.562 -0.134 11.361 1.00 1.28 H new ATOM 0 HE3 LYS A 122 13.502 1.288 10.957 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 12.657 1.103 13.313 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 12.362 2.579 12.527 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 11.110 1.445 12.703 1.00 1.79 H new ATOM 1184 N LEU A 123 10.065 4.053 5.334 1.00 0.17 N ATOM 1185 CA LEU A 123 9.164 4.092 4.196 1.00 0.14 C ATOM 1186 C LEU A 123 8.796 2.689 3.737 1.00 0.12 C ATOM 1187 O LEU A 123 7.642 2.409 3.426 1.00 0.12 O ATOM 1188 CB LEU A 123 9.855 4.833 3.064 1.00 0.16 C ATOM 1189 CG LEU A 123 9.250 4.641 1.681 1.00 0.14 C ATOM 1190 CD1 LEU A 123 8.022 5.507 1.494 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.294 4.950 0.643 1.00 0.21 C ATOM 0 H LEU A 123 10.863 4.683 5.247 1.00 0.17 H new ATOM 0 HA LEU A 123 8.245 4.601 4.486 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.852 5.898 3.297 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.898 4.517 3.031 1.00 0.16 H new ATOM 0 HG LEU A 123 8.928 3.605 1.572 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.613 5.347 0.496 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.273 5.242 2.240 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.295 6.556 1.611 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.869 4.815 -0.352 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.628 5.981 0.758 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.143 4.278 0.769 1.00 0.21 H new ATOM 1203 N TYR A 124 9.785 1.801 3.733 1.00 0.13 N ATOM 1204 CA TYR A 124 9.591 0.450 3.243 1.00 0.13 C ATOM 1205 C TYR A 124 8.614 -0.306 4.112 1.00 0.13 C ATOM 1206 O TYR A 124 7.786 -1.028 3.602 1.00 0.14 O ATOM 1207 CB TYR A 124 10.918 -0.292 3.159 1.00 0.14 C ATOM 1208 CG TYR A 124 11.796 0.162 2.026 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.662 1.239 2.159 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.757 -0.499 0.816 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.465 1.637 1.107 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.546 -0.114 -0.229 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.404 0.954 -0.089 1.00 0.24 C ATOM 1214 OH TYR A 124 14.197 1.336 -1.146 1.00 0.31 O ATOM 0 H TYR A 124 10.729 1.998 4.065 1.00 0.13 H new ATOM 0 HA TYR A 124 9.172 0.516 2.239 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.456 -0.162 4.098 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.721 -1.358 3.049 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.709 1.773 3.097 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.089 -1.338 0.693 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.135 2.476 1.221 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.497 -0.648 -1.167 1.00 0.19 H new ATOM 0 HH TYR A 124 14.029 0.747 -1.911 1.00 0.31 H new ATOM 1224 N VAL A 125 8.700 -0.130 5.420 1.00 0.13 N ATOM 1225 CA VAL A 125 7.734 -0.749 6.326 1.00 0.14 C ATOM 1226 C VAL A 125 6.310 -0.358 5.955 1.00 0.12 C ATOM 1227 O VAL A 125 5.407 -1.191 5.966 1.00 0.14 O ATOM 1228 CB VAL A 125 8.005 -0.375 7.794 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.881 -0.867 8.704 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.348 -0.942 8.221 1.00 0.23 C ATOM 0 H VAL A 125 9.419 0.429 5.879 1.00 0.13 H new ATOM 0 HA VAL A 125 7.849 -1.828 6.220 1.00 0.14 H new ATOM 0 HB VAL A 125 8.037 0.711 7.883 1.00 0.18 H new ATOM 0 HG11 VAL A 125 7.099 -0.589 9.735 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.939 -0.412 8.397 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.801 -1.952 8.630 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.541 -0.677 9.261 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.334 -2.027 8.119 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.135 -0.529 7.590 1.00 0.23 H new ATOM 1240 N TYR A 126 6.122 0.900 5.600 1.00 0.11 N ATOM 1241 CA TYR A 126 4.811 1.393 5.213 1.00 0.11 C ATOM 1242 C TYR A 126 4.454 0.889 3.821 1.00 0.10 C ATOM 1243 O TYR A 126 3.290 0.642 3.520 1.00 0.11 O ATOM 1244 CB TYR A 126 4.805 2.914 5.301 1.00 0.12 C ATOM 1245 CG TYR A 126 5.304 3.387 6.646 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.769 2.867 7.817 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.329 4.317 6.750 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.235 3.265 9.052 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.803 4.720 7.985 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.252 4.189 9.134 1.00 0.20 C ATOM 1251 OH TYR A 126 6.715 4.590 10.367 1.00 0.25 O ATOM 0 H TYR A 126 6.862 1.601 5.571 1.00 0.11 H new ATOM 0 HA TYR A 126 4.047 1.015 5.892 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.432 3.329 4.512 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.794 3.286 5.134 1.00 0.12 H new ATOM 0 HD1 TYR A 126 3.974 2.138 7.759 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.763 4.732 5.853 1.00 0.17 H new ATOM 0 HE1 TYR A 126 4.803 2.853 9.952 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.600 5.446 8.050 1.00 0.20 H new ATOM 0 HH TYR A 126 7.434 5.245 10.249 1.00 0.25 H new ATOM 1261 N ILE A 127 5.475 0.726 2.989 1.00 0.11 N ATOM 1262 CA ILE A 127 5.342 0.027 1.715 1.00 0.11 C ATOM 1263 C ILE A 127 4.860 -1.403 1.962 1.00 0.11 C ATOM 1264 O ILE A 127 3.895 -1.866 1.356 1.00 0.11 O ATOM 1265 CB ILE A 127 6.698 0.001 0.967 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.045 1.405 0.471 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.669 -0.985 -0.186 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.517 1.613 0.194 1.00 0.11 C ATOM 0 H ILE A 127 6.416 1.073 3.176 1.00 0.11 H new ATOM 0 HA ILE A 127 4.614 0.555 1.099 1.00 0.11 H new ATOM 0 HB ILE A 127 7.470 -0.329 1.662 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.482 1.607 -0.440 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.719 2.133 1.214 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.634 -0.981 -0.692 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.463 -1.985 0.196 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.889 -0.698 -0.891 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.681 2.633 -0.154 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.087 1.445 1.108 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.846 0.911 -0.572 1.00 0.11 H new ATOM 1280 N ASN A 128 5.547 -2.077 2.879 1.00 0.12 N ATOM 1281 CA ASN A 128 5.215 -3.425 3.304 1.00 0.14 C ATOM 1282 C ASN A 128 3.781 -3.489 3.797 1.00 0.14 C ATOM 1283 O ASN A 128 3.000 -4.343 3.369 1.00 0.16 O ATOM 1284 CB ASN A 128 6.150 -3.846 4.446 1.00 0.20 C ATOM 1285 CG ASN A 128 7.586 -4.114 4.018 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.316 -4.823 4.697 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.002 -3.556 2.901 1.00 0.26 N ATOM 0 H ASN A 128 6.364 -1.692 3.353 1.00 0.12 H new ATOM 0 HA ASN A 128 5.332 -4.096 2.453 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.150 -3.064 5.206 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.750 -4.745 4.914 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.958 -3.710 2.579 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.369 -2.970 2.357 1.00 0.26 H new ATOM 1294 N GLU A 129 3.448 -2.575 4.709 1.00 0.13 N ATOM 1295 CA GLU A 129 2.108 -2.496 5.263 1.00 0.16 C ATOM 1296 C GLU A 129 1.091 -2.314 4.169 1.00 0.15 C ATOM 1297 O GLU A 129 0.266 -3.176 3.952 1.00 0.17 O ATOM 1298 CB GLU A 129 1.990 -1.334 6.244 1.00 0.23 C ATOM 1299 CG GLU A 129 2.693 -1.584 7.556 1.00 0.29 C ATOM 1300 CD GLU A 129 2.420 -0.511 8.593 1.00 0.60 C ATOM 1301 OE1 GLU A 129 1.396 0.193 8.474 1.00 1.03 O ATOM 1302 OE2 GLU A 129 3.222 -0.378 9.541 1.00 0.90 O ATOM 0 H GLU A 129 4.096 -1.878 5.077 1.00 0.13 H new ATOM 0 HA GLU A 129 1.917 -3.432 5.789 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.403 -0.436 5.784 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.936 -1.137 6.437 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.379 -2.550 7.951 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.767 -1.645 7.380 1.00 0.29 H new ATOM 1309 N LEU A 130 1.204 -1.207 3.464 1.00 0.14 N ATOM 1310 CA LEU A 130 0.275 -0.847 2.403 1.00 0.15 C ATOM 1311 C LEU A 130 0.070 -1.997 1.416 1.00 0.15 C ATOM 1312 O LEU A 130 -1.057 -2.293 1.021 1.00 0.18 O ATOM 1313 CB LEU A 130 0.824 0.386 1.692 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.150 1.135 0.801 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.458 1.388 1.536 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.486 2.447 0.377 1.00 0.12 C ATOM 0 H LEU A 130 1.948 -0.524 3.609 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.702 -0.631 2.835 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.200 1.077 2.446 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.677 0.081 1.086 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.374 0.536 -0.082 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.145 1.926 0.882 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.903 0.436 1.825 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.265 1.984 2.428 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.204 2.995 -0.264 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.713 3.044 1.261 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.407 2.245 -0.170 1.00 0.12 H new ATOM 1328 N CYS A 131 1.158 -2.656 1.044 1.00 0.14 N ATOM 1329 CA CYS A 131 1.096 -3.789 0.129 1.00 0.17 C ATOM 1330 C CYS A 131 0.322 -4.953 0.750 1.00 0.18 C ATOM 1331 O CYS A 131 -0.572 -5.526 0.119 1.00 0.21 O ATOM 1332 CB CYS A 131 2.512 -4.237 -0.247 1.00 0.20 C ATOM 1333 SG CYS A 131 2.582 -5.728 -1.267 1.00 0.53 S ATOM 0 H CYS A 131 2.099 -2.425 1.363 1.00 0.14 H new ATOM 0 HA CYS A 131 0.569 -3.473 -0.772 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.007 -3.425 -0.779 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.079 -4.411 0.667 1.00 0.20 H new ATOM 0 HG CYS A 131 3.654 -5.701 -2.002 1.00 0.53 H new ATOM 1339 N THR A 132 0.649 -5.291 1.991 1.00 0.19 N ATOM 1340 CA THR A 132 -0.020 -6.392 2.675 1.00 0.23 C ATOM 1341 C THR A 132 -1.454 -6.009 3.003 1.00 0.21 C ATOM 1342 O THR A 132 -2.365 -6.827 2.925 1.00 0.22 O ATOM 1343 CB THR A 132 0.708 -6.778 3.973 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.086 -7.063 3.690 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.045 -7.989 4.613 1.00 0.36 C ATOM 0 H THR A 132 1.368 -4.823 2.542 1.00 0.19 H new ATOM 0 HA THR A 132 -0.007 -7.251 2.004 1.00 0.23 H new ATOM 0 HB THR A 132 0.651 -5.943 4.671 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.571 -6.224 3.546 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.572 -8.250 5.531 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.994 -7.755 4.845 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.081 -8.831 3.922 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.629 -4.742 3.344 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.926 -4.158 3.623 1.00 0.17 C ATOM 1355 C VAL A 133 -3.887 -4.462 2.487 1.00 0.18 C ATOM 1356 O VAL A 133 -5.036 -4.852 2.709 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.773 -2.626 3.790 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.072 -1.898 3.517 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.250 -2.276 5.178 1.00 0.18 C ATOM 0 H VAL A 133 -0.858 -4.081 3.436 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.325 -4.585 4.543 1.00 0.17 H new ATOM 0 HB VAL A 133 -2.044 -2.295 3.050 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.922 -0.826 3.645 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.395 -2.100 2.496 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.836 -2.243 4.214 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.152 -1.194 5.268 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.947 -2.641 5.932 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.276 -2.742 5.328 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.382 -4.317 1.276 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.159 -4.563 0.082 1.00 0.20 C ATOM 1371 C LEU A 134 -4.716 -5.977 0.058 1.00 0.23 C ATOM 1372 O LEU A 134 -5.909 -6.168 -0.108 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.303 -4.293 -1.149 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.871 -2.838 -1.280 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.985 -2.623 -2.488 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -4.083 -1.947 -1.358 1.00 0.20 C ATOM 0 H LEU A 134 -2.421 -4.025 1.096 1.00 0.18 H new ATOM 0 HA LEU A 134 -5.012 -3.885 0.080 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.416 -4.925 -1.111 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.861 -4.580 -2.040 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.289 -2.581 -0.395 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.698 -1.573 -2.547 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -1.090 -3.239 -2.397 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.527 -2.902 -3.391 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.766 -0.908 -1.451 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.682 -2.223 -2.226 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.679 -2.064 -0.453 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.868 -6.970 0.253 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.314 -8.348 0.157 1.00 0.29 C ATOM 1390 C LYS A 135 -5.010 -8.825 1.420 1.00 0.30 C ATOM 1391 O LYS A 135 -5.880 -9.689 1.366 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.155 -9.262 -0.206 1.00 0.33 C ATOM 1393 CG LYS A 135 -2.994 -9.398 -1.705 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.279 -9.915 -2.336 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.517 -11.379 -1.991 1.00 0.91 C ATOM 1396 NZ LYS A 135 -5.736 -11.924 -2.645 1.00 1.59 N ATOM 0 H LYS A 135 -2.880 -6.852 0.476 1.00 0.25 H new ATOM 0 HA LYS A 135 -5.055 -8.389 -0.641 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.234 -8.869 0.224 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.317 -10.246 0.233 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.733 -8.432 -2.137 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.173 -10.079 -1.928 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -5.122 -9.317 -1.991 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -4.227 -9.798 -3.419 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -3.651 -11.967 -2.295 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -4.610 -11.484 -0.910 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -5.596 -12.933 -2.854 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -6.551 -11.812 -2.009 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -5.915 -11.409 -3.530 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.627 -8.257 2.545 1.00 0.27 N ATOM 1411 CA ALA A 136 -5.173 -8.664 3.835 1.00 0.30 C ATOM 1412 C ALA A 136 -6.661 -8.347 3.951 1.00 0.31 C ATOM 1413 O ALA A 136 -7.426 -9.141 4.496 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.415 -7.993 4.973 1.00 0.33 C ATOM 0 H ALA A 136 -3.937 -7.508 2.598 1.00 0.27 H new ATOM 0 HA ALA A 136 -5.053 -9.745 3.906 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.837 -8.309 5.927 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -3.364 -8.279 4.928 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.501 -6.910 4.879 1.00 0.33 H new ATOM 1420 N HIS A 137 -7.070 -7.187 3.449 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.432 -6.723 3.658 1.00 0.35 C ATOM 1422 C HIS A 137 -9.286 -6.843 2.403 1.00 0.35 C ATOM 1423 O HIS A 137 -10.514 -6.771 2.465 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.417 -5.289 4.165 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.505 -5.088 5.335 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -7.735 -5.634 6.578 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -6.321 -4.439 5.427 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -6.731 -5.332 7.379 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -5.860 -4.607 6.708 1.00 0.49 N ATOM 0 H HIS A 137 -6.483 -6.558 2.900 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.889 -7.368 4.409 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -8.110 -4.627 3.355 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.429 -4.999 4.447 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -5.830 -3.890 4.637 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -6.639 -5.630 8.413 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -4.987 -4.232 7.079 1.00 0.49 H new ATOM 1438 N SER A 138 -8.638 -7.028 1.270 1.00 0.31 N ATOM 1439 CA SER A 138 -9.338 -7.231 0.013 1.00 0.33 C ATOM 1440 C SER A 138 -9.457 -8.729 -0.238 1.00 0.55 C ATOM 1441 O SER A 138 -9.152 -9.507 0.663 1.00 1.05 O ATOM 1442 CB SER A 138 -8.630 -6.519 -1.146 1.00 0.38 C ATOM 1443 OG SER A 138 -7.588 -7.310 -1.686 1.00 1.00 O ATOM 0 H SER A 138 -7.621 -7.042 1.192 1.00 0.31 H new ATOM 0 HA SER A 138 -10.335 -6.794 0.077 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.354 -6.287 -1.927 1.00 0.38 H new ATOM 0 HB3 SER A 138 -8.223 -5.570 -0.796 1.00 0.38 H new ATOM 0 HG SER A 138 -6.722 -6.911 -1.457 1.00 1.00 H new ATOM 1449 N ALA A 139 -9.927 -9.104 -1.432 1.00 0.38 N ATOM 1450 CA ALA A 139 -10.238 -10.500 -1.794 1.00 0.60 C ATOM 1451 C ALA A 139 -9.320 -11.521 -1.112 1.00 1.01 C ATOM 1452 O ALA A 139 -8.244 -11.857 -1.617 1.00 1.45 O ATOM 1453 CB ALA A 139 -10.173 -10.671 -3.302 1.00 1.41 C ATOM 0 H ALA A 139 -10.106 -8.442 -2.187 1.00 0.38 H new ATOM 0 HA ALA A 139 -11.248 -10.699 -1.436 1.00 0.60 H new ATOM 0 HB1 ALA A 139 -10.404 -11.704 -3.561 1.00 1.41 H new ATOM 0 HB2 ALA A 139 -10.897 -10.008 -3.775 1.00 1.41 H new ATOM 0 HB3 ALA A 139 -9.171 -10.424 -3.653 1.00 1.41 H new ATOM 1459 N LYS A 140 -9.773 -11.984 0.046 1.00 1.55 N ATOM 1460 CA LYS A 140 -9.049 -12.935 0.883 1.00 2.37 C ATOM 1461 C LYS A 140 -9.834 -13.092 2.169 1.00 2.97 C ATOM 1462 O LYS A 140 -9.979 -14.183 2.721 1.00 3.60 O ATOM 1463 CB LYS A 140 -7.633 -12.417 1.188 1.00 2.91 C ATOM 1464 CG LYS A 140 -6.926 -13.126 2.335 1.00 3.65 C ATOM 1465 CD LYS A 140 -6.705 -14.601 2.050 1.00 4.31 C ATOM 1466 CE LYS A 140 -5.934 -15.267 3.175 1.00 5.16 C ATOM 1467 NZ LYS A 140 -5.703 -16.709 2.914 1.00 5.98 N ATOM 0 H LYS A 140 -10.672 -11.704 0.438 1.00 1.55 H new ATOM 0 HA LYS A 140 -8.947 -13.892 0.371 1.00 2.37 H new ATOM 0 HB2 LYS A 140 -7.024 -12.515 0.289 1.00 2.91 H new ATOM 0 HB3 LYS A 140 -7.692 -11.353 1.419 1.00 2.91 H new ATOM 0 HG2 LYS A 140 -5.965 -12.646 2.519 1.00 3.65 H new ATOM 0 HG3 LYS A 140 -7.516 -13.018 3.245 1.00 3.65 H new ATOM 0 HD2 LYS A 140 -7.667 -15.097 1.921 1.00 4.31 H new ATOM 0 HD3 LYS A 140 -6.159 -14.716 1.114 1.00 4.31 H new ATOM 0 HE2 LYS A 140 -4.976 -14.764 3.305 1.00 5.16 H new ATOM 0 HE3 LYS A 140 -6.484 -15.151 4.109 1.00 5.16 H new ATOM 0 HZ1 LYS A 140 -5.173 -17.125 3.707 1.00 5.98 H new ATOM 0 HZ2 LYS A 140 -6.617 -17.195 2.816 1.00 5.98 H new ATOM 0 HZ3 LYS A 140 -5.156 -16.820 2.036 1.00 5.98 H new ATOM 1481 N LYS A 141 -10.361 -11.968 2.603 1.00 3.06 N ATOM 1482 CA LYS A 141 -11.149 -11.873 3.808 1.00 3.93 C ATOM 1483 C LYS A 141 -12.634 -12.046 3.503 1.00 4.23 C ATOM 1484 O LYS A 141 -13.142 -11.507 2.518 1.00 4.43 O ATOM 1485 CB LYS A 141 -10.897 -10.502 4.413 1.00 4.13 C ATOM 1486 CG LYS A 141 -11.927 -10.081 5.446 1.00 5.03 C ATOM 1487 CD LYS A 141 -11.668 -8.679 5.967 1.00 5.51 C ATOM 1488 CE LYS A 141 -12.870 -8.155 6.732 1.00 6.31 C ATOM 1489 NZ LYS A 141 -14.089 -8.129 5.878 1.00 6.50 N ATOM 0 H LYS A 141 -10.250 -11.078 2.117 1.00 3.06 H new ATOM 0 HA LYS A 141 -10.864 -12.662 4.503 1.00 3.93 H new ATOM 0 HB2 LYS A 141 -9.910 -10.497 4.876 1.00 4.13 H new ATOM 0 HB3 LYS A 141 -10.877 -9.762 3.613 1.00 4.13 H new ATOM 0 HG2 LYS A 141 -12.923 -10.126 5.005 1.00 5.03 H new ATOM 0 HG3 LYS A 141 -11.915 -10.785 6.278 1.00 5.03 H new ATOM 0 HD2 LYS A 141 -10.793 -8.684 6.616 1.00 5.51 H new ATOM 0 HD3 LYS A 141 -11.443 -8.013 5.134 1.00 5.51 H new ATOM 0 HE2 LYS A 141 -13.049 -8.782 7.605 1.00 6.31 H new ATOM 0 HE3 LYS A 141 -12.660 -7.150 7.099 1.00 6.31 H new ATOM 0 HZ1 LYS A 141 -14.780 -7.463 6.279 1.00 6.50 H new ATOM 0 HZ2 LYS A 141 -13.833 -7.826 4.917 1.00 6.50 H new ATOM 0 HZ3 LYS A 141 -14.507 -9.080 5.841 1.00 6.50 H new ATOM 1503 N LYS A 142 -13.320 -12.817 4.336 1.00 4.72 N ATOM 1504 CA LYS A 142 -14.768 -12.944 4.246 1.00 5.36 C ATOM 1505 C LYS A 142 -15.453 -11.597 4.469 1.00 5.84 C ATOM 1506 O LYS A 142 -15.125 -10.861 5.402 1.00 6.44 O ATOM 1507 CB LYS A 142 -15.278 -13.962 5.268 1.00 6.09 C ATOM 1508 CG LYS A 142 -14.780 -15.375 5.019 1.00 6.27 C ATOM 1509 CD LYS A 142 -15.066 -15.810 3.596 1.00 6.25 C ATOM 1510 CE LYS A 142 -14.722 -17.272 3.371 1.00 7.00 C ATOM 1511 NZ LYS A 142 -15.074 -17.709 1.995 1.00 7.51 N ATOM 0 H LYS A 142 -12.895 -13.365 5.084 1.00 4.72 H new ATOM 0 HA LYS A 142 -15.012 -13.292 3.242 1.00 5.36 H new ATOM 0 HB2 LYS A 142 -14.971 -13.648 6.266 1.00 6.09 H new ATOM 0 HB3 LYS A 142 -16.368 -13.962 5.255 1.00 6.09 H new ATOM 0 HG2 LYS A 142 -13.708 -15.425 5.210 1.00 6.27 H new ATOM 0 HG3 LYS A 142 -15.260 -16.062 5.716 1.00 6.27 H new ATOM 0 HD2 LYS A 142 -16.120 -15.646 3.371 1.00 6.25 H new ATOM 0 HD3 LYS A 142 -14.493 -15.192 2.905 1.00 6.25 H new ATOM 0 HE2 LYS A 142 -13.657 -17.427 3.542 1.00 7.00 H new ATOM 0 HE3 LYS A 142 -15.254 -17.888 4.097 1.00 7.00 H new ATOM 0 HZ1 LYS A 142 -14.826 -18.712 1.875 1.00 7.51 H new ATOM 0 HZ2 LYS A 142 -16.095 -17.584 1.842 1.00 7.51 H new ATOM 0 HZ3 LYS A 142 -14.548 -17.137 1.304 1.00 7.51 H new ATOM 1525 N LEU A 143 -16.393 -11.277 3.588 1.00 5.94 N ATOM 1526 CA LEU A 143 -17.142 -10.038 3.679 1.00 6.75 C ATOM 1527 C LEU A 143 -18.186 -10.114 4.788 1.00 7.48 C ATOM 1528 O LEU A 143 -18.563 -9.095 5.368 1.00 8.28 O ATOM 1529 CB LEU A 143 -17.818 -9.702 2.344 1.00 7.07 C ATOM 1530 CG LEU A 143 -16.888 -9.260 1.202 1.00 7.20 C ATOM 1531 CD1 LEU A 143 -15.965 -8.144 1.665 1.00 7.67 C ATOM 1532 CD2 LEU A 143 -16.090 -10.436 0.656 1.00 7.50 C ATOM 0 H LEU A 143 -16.653 -11.867 2.797 1.00 5.94 H new ATOM 0 HA LEU A 143 -16.435 -9.243 3.918 1.00 6.75 H new ATOM 0 HB2 LEU A 143 -18.375 -10.578 2.012 1.00 7.07 H new ATOM 0 HB3 LEU A 143 -18.546 -8.910 2.519 1.00 7.07 H new ATOM 0 HG LEU A 143 -17.508 -8.876 0.391 1.00 7.20 H new ATOM 0 HD11 LEU A 143 -15.315 -7.845 0.843 1.00 7.67 H new ATOM 0 HD12 LEU A 143 -16.560 -7.289 1.986 1.00 7.67 H new ATOM 0 HD13 LEU A 143 -15.357 -8.497 2.498 1.00 7.67 H new ATOM 0 HD21 LEU A 143 -15.442 -10.093 -0.150 1.00 7.50 H new ATOM 0 HD22 LEU A 143 -15.482 -10.865 1.453 1.00 7.50 H new ATOM 0 HD23 LEU A 143 -16.774 -11.194 0.274 1.00 7.50 H new ATOM 1544 N ASN A 144 -18.641 -11.327 5.076 1.00 7.45 N ATOM 1545 CA ASN A 144 -19.628 -11.556 6.114 1.00 8.37 C ATOM 1546 C ASN A 144 -19.502 -12.974 6.650 1.00 8.41 C ATOM 1547 O ASN A 144 -19.449 -13.138 7.883 1.00 8.66 O ATOM 1548 CB ASN A 144 -21.064 -11.287 5.626 1.00 8.96 C ATOM 1549 CG ASN A 144 -21.558 -12.226 4.527 1.00 9.14 C ATOM 1550 OD1 ASN A 144 -22.722 -12.631 4.529 1.00 9.67 O ATOM 1551 ND2 ASN A 144 -20.710 -12.535 3.559 1.00 8.96 N ATOM 1552 OXT ASN A 144 -19.405 -13.914 5.833 1.00 8.44 O ATOM 0 H ASN A 144 -18.335 -12.174 4.597 1.00 7.45 H new ATOM 0 HA ASN A 144 -19.428 -10.847 6.918 1.00 8.37 H new ATOM 0 HB2 ASN A 144 -21.741 -11.360 6.477 1.00 8.96 H new ATOM 0 HB3 ASN A 144 -21.122 -10.262 5.260 1.00 8.96 H new ATOM 0 HD21 ASN A 144 -21.013 -13.125 2.784 1.00 8.96 H new ATOM 0 HD22 ASN A 144 -19.753 -12.183 3.588 1.00 8.96 H new TER 1559 ASN A 144 ATOM 1560 N GLY B 22 -1.360 -20.600 5.817 1.00 6.31 N ATOM 1561 CA GLY B 22 -0.764 -19.250 5.929 1.00 6.12 C ATOM 1562 C GLY B 22 -0.721 -18.552 4.590 1.00 5.43 C ATOM 1563 O GLY B 22 -1.299 -19.040 3.615 1.00 5.38 O ATOM 0 HA2 GLY B 22 -1.343 -18.653 6.634 1.00 6.12 H new ATOM 0 HA3 GLY B 22 0.246 -19.329 6.332 1.00 6.12 H new ATOM 1569 N SER B 23 -0.042 -17.419 4.528 1.00 5.22 N ATOM 1570 CA SER B 23 0.087 -16.680 3.286 1.00 4.79 C ATOM 1571 C SER B 23 1.139 -17.338 2.404 1.00 4.18 C ATOM 1572 O SER B 23 2.298 -17.469 2.795 1.00 4.62 O ATOM 1573 CB SER B 23 0.465 -15.220 3.563 1.00 5.71 C ATOM 1574 OG SER B 23 0.481 -14.461 2.367 1.00 6.30 O ATOM 0 H SER B 23 0.429 -16.991 5.325 1.00 5.22 H new ATOM 0 HA SER B 23 -0.873 -16.692 2.769 1.00 4.79 H new ATOM 0 HB2 SER B 23 -0.246 -14.784 4.264 1.00 5.71 H new ATOM 0 HB3 SER B 23 1.446 -15.179 4.037 1.00 5.71 H new ATOM 0 HG SER B 23 1.408 -14.299 2.095 1.00 6.30 H new ATOM 1580 N GLN B 24 0.730 -17.764 1.216 1.00 3.65 N ATOM 1581 CA GLN B 24 1.647 -18.397 0.281 1.00 3.63 C ATOM 1582 C GLN B 24 2.321 -17.349 -0.594 1.00 2.91 C ATOM 1583 O GLN B 24 2.780 -17.635 -1.700 1.00 3.33 O ATOM 1584 CB GLN B 24 0.923 -19.437 -0.575 1.00 4.12 C ATOM 1585 CG GLN B 24 0.472 -20.651 0.209 1.00 4.90 C ATOM 1586 CD GLN B 24 1.606 -21.309 0.976 1.00 5.51 C ATOM 1587 OE1 GLN B 24 2.305 -22.179 0.457 1.00 5.87 O ATOM 1588 NE2 GLN B 24 1.788 -20.905 2.223 1.00 6.00 N ATOM 0 H GLN B 24 -0.229 -17.682 0.879 1.00 3.65 H new ATOM 0 HA GLN B 24 2.417 -18.914 0.854 1.00 3.63 H new ATOM 0 HB2 GLN B 24 0.055 -18.972 -1.042 1.00 4.12 H new ATOM 0 HB3 GLN B 24 1.584 -19.758 -1.380 1.00 4.12 H new ATOM 0 HG2 GLN B 24 -0.311 -20.357 0.908 1.00 4.90 H new ATOM 0 HG3 GLN B 24 0.032 -21.377 -0.475 1.00 4.90 H new ATOM 0 HE21 GLN B 24 1.187 -20.181 2.617 1.00 6.00 H new ATOM 0 HE22 GLN B 24 2.529 -21.318 2.790 1.00 6.00 H new ATOM 1597 N GLU B 25 2.349 -16.125 -0.099 1.00 2.35 N ATOM 1598 CA GLU B 25 3.040 -15.047 -0.762 1.00 2.01 C ATOM 1599 C GLU B 25 3.639 -14.129 0.287 1.00 1.56 C ATOM 1600 O GLU B 25 3.032 -13.895 1.336 1.00 1.77 O ATOM 1601 CB GLU B 25 2.091 -14.295 -1.697 1.00 2.30 C ATOM 1602 CG GLU B 25 0.769 -13.889 -1.064 1.00 2.88 C ATOM 1603 CD GLU B 25 -0.180 -13.280 -2.074 1.00 3.50 C ATOM 1604 OE1 GLU B 25 0.127 -12.197 -2.615 1.00 3.84 O ATOM 1605 OE2 GLU B 25 -1.242 -13.876 -2.324 1.00 4.06 O ATOM 0 H GLU B 25 1.893 -15.856 0.773 1.00 2.35 H new ATOM 0 HA GLU B 25 3.845 -15.446 -1.379 1.00 2.01 H new ATOM 0 HB2 GLU B 25 2.595 -13.400 -2.061 1.00 2.30 H new ATOM 0 HB3 GLU B 25 1.886 -14.921 -2.566 1.00 2.30 H new ATOM 0 HG2 GLU B 25 0.302 -14.762 -0.608 1.00 2.88 H new ATOM 0 HG3 GLU B 25 0.955 -13.173 -0.264 1.00 2.88 H new ATOM 1612 N ASP B 26 4.846 -13.660 0.021 1.00 1.15 N ATOM 1613 CA ASP B 26 5.578 -12.847 0.963 1.00 0.84 C ATOM 1614 C ASP B 26 4.852 -11.545 1.244 1.00 0.89 C ATOM 1615 O ASP B 26 4.407 -10.848 0.334 1.00 1.83 O ATOM 1616 CB ASP B 26 6.974 -12.579 0.426 1.00 0.68 C ATOM 1617 CG ASP B 26 7.932 -13.707 0.728 1.00 1.00 C ATOM 1618 OD1 ASP B 26 7.951 -14.692 -0.039 1.00 1.49 O ATOM 1619 OD2 ASP B 26 8.656 -13.621 1.745 1.00 1.27 O ATOM 0 H ASP B 26 5.341 -13.834 -0.854 1.00 1.15 H new ATOM 0 HA ASP B 26 5.655 -13.389 1.906 1.00 0.84 H new ATOM 0 HB2 ASP B 26 6.923 -12.428 -0.652 1.00 0.68 H new ATOM 0 HB3 ASP B 26 7.356 -11.655 0.860 1.00 0.68 H new ATOM 1624 N SER B 27 4.741 -11.243 2.522 1.00 0.55 N ATOM 1625 CA SER B 27 4.000 -10.094 2.993 1.00 0.54 C ATOM 1626 C SER B 27 4.874 -8.843 2.995 1.00 0.44 C ATOM 1627 O SER B 27 4.927 -8.101 2.015 1.00 0.53 O ATOM 1628 CB SER B 27 3.456 -10.418 4.386 1.00 0.75 C ATOM 1629 OG SER B 27 2.757 -9.327 4.963 1.00 1.37 O ATOM 0 H SER B 27 5.167 -11.794 3.268 1.00 0.55 H new ATOM 0 HA SER B 27 3.167 -9.881 2.324 1.00 0.54 H new ATOM 0 HB2 SER B 27 2.790 -11.279 4.321 1.00 0.75 H new ATOM 0 HB3 SER B 27 4.282 -10.702 5.038 1.00 0.75 H new ATOM 0 HG SER B 27 2.693 -8.598 4.311 1.00 1.37 H new ATOM 1635 N ASP B 28 5.562 -8.626 4.091 1.00 0.43 N ATOM 1636 CA ASP B 28 6.483 -7.505 4.219 1.00 0.37 C ATOM 1637 C ASP B 28 7.853 -7.892 3.671 1.00 0.33 C ATOM 1638 O ASP B 28 8.555 -7.078 3.071 1.00 0.31 O ATOM 1639 CB ASP B 28 6.587 -7.066 5.691 1.00 0.44 C ATOM 1640 CG ASP B 28 7.084 -8.172 6.600 1.00 0.95 C ATOM 1641 OD1 ASP B 28 6.488 -9.267 6.594 1.00 1.07 O ATOM 1642 OD2 ASP B 28 8.083 -7.952 7.320 1.00 1.83 O ATOM 0 H ASP B 28 5.504 -9.216 4.921 1.00 0.43 H new ATOM 0 HA ASP B 28 6.103 -6.664 3.639 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.260 -6.212 5.764 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.609 -6.731 6.035 1.00 0.44 H new ATOM 1647 N SER B 29 8.203 -9.158 3.840 1.00 0.36 N ATOM 1648 CA SER B 29 9.501 -9.658 3.416 1.00 0.34 C ATOM 1649 C SER B 29 9.655 -9.626 1.900 1.00 0.33 C ATOM 1650 O SER B 29 10.774 -9.583 1.388 1.00 0.34 O ATOM 1651 CB SER B 29 9.694 -11.072 3.943 1.00 0.39 C ATOM 1652 OG SER B 29 8.543 -11.868 3.701 1.00 1.07 O ATOM 0 H SER B 29 7.602 -9.861 4.270 1.00 0.36 H new ATOM 0 HA SER B 29 10.270 -9.005 3.829 1.00 0.34 H new ATOM 0 HB2 SER B 29 10.562 -11.527 3.465 1.00 0.39 H new ATOM 0 HB3 SER B 29 9.900 -11.040 5.013 1.00 0.39 H new ATOM 0 HG SER B 29 8.760 -12.568 3.051 1.00 1.07 H new ATOM 1658 N GLU B 30 8.526 -9.621 1.204 1.00 0.35 N ATOM 1659 CA GLU B 30 8.498 -9.567 -0.257 1.00 0.37 C ATOM 1660 C GLU B 30 9.332 -8.401 -0.765 1.00 0.34 C ATOM 1661 O GLU B 30 10.039 -8.505 -1.760 1.00 0.39 O ATOM 1662 CB GLU B 30 7.066 -9.413 -0.732 1.00 0.45 C ATOM 1663 CG GLU B 30 6.919 -9.495 -2.224 1.00 0.68 C ATOM 1664 CD GLU B 30 7.296 -10.839 -2.812 1.00 1.37 C ATOM 1665 OE1 GLU B 30 6.431 -11.741 -2.854 1.00 1.57 O ATOM 1666 OE2 GLU B 30 8.445 -10.985 -3.273 1.00 2.33 O ATOM 0 H GLU B 30 7.602 -9.654 1.634 1.00 0.35 H new ATOM 0 HA GLU B 30 8.918 -10.493 -0.649 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.453 -10.188 -0.271 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.679 -8.454 -0.389 1.00 0.45 H new ATOM 0 HG2 GLU B 30 5.885 -9.272 -2.489 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.539 -8.724 -2.682 1.00 0.68 H new ATOM 1673 N LEU B 31 9.254 -7.303 -0.048 1.00 0.28 N ATOM 1674 CA LEU B 31 9.983 -6.107 -0.391 1.00 0.24 C ATOM 1675 C LEU B 31 11.454 -6.315 -0.112 1.00 0.25 C ATOM 1676 O LEU B 31 12.317 -6.113 -0.968 1.00 0.26 O ATOM 1677 CB LEU B 31 9.504 -4.944 0.446 1.00 0.20 C ATOM 1678 CG LEU B 31 8.072 -4.455 0.216 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.885 -3.881 -1.173 1.00 0.19 C ATOM 1680 CD2 LEU B 31 7.067 -5.554 0.477 1.00 0.24 C ATOM 0 H LEU B 31 8.681 -7.216 0.791 1.00 0.28 H new ATOM 0 HA LEU B 31 9.820 -5.894 -1.447 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.601 -5.222 1.496 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.178 -4.105 0.275 1.00 0.20 H new ATOM 0 HG LEU B 31 7.895 -3.652 0.931 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.855 -3.546 -1.293 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.559 -3.036 -1.311 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.106 -4.647 -1.916 1.00 0.19 H new ATOM 0 HD21 LEU B 31 6.060 -5.174 0.305 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.259 -6.390 -0.195 1.00 0.24 H new ATOM 0 HD23 LEU B 31 7.156 -5.891 1.510 1.00 0.24 H new ATOM 1692 N GLU B 32 11.700 -6.745 1.116 1.00 0.26 N ATOM 1693 CA GLU B 32 13.047 -6.952 1.650 1.00 0.29 C ATOM 1694 C GLU B 32 13.895 -7.848 0.758 1.00 0.33 C ATOM 1695 O GLU B 32 15.125 -7.818 0.822 1.00 0.38 O ATOM 1696 CB GLU B 32 12.991 -7.582 3.037 1.00 0.29 C ATOM 1697 CG GLU B 32 11.909 -7.035 3.954 1.00 0.26 C ATOM 1698 CD GLU B 32 12.100 -7.534 5.372 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.690 -8.676 5.672 1.00 0.59 O ATOM 1700 OE2 GLU B 32 12.622 -6.766 6.208 1.00 0.47 O ATOM 0 H GLU B 32 10.961 -6.965 1.784 1.00 0.26 H new ATOM 0 HA GLU B 32 13.506 -5.964 1.697 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.841 -8.656 2.925 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.958 -7.444 3.520 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.932 -5.945 3.941 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.928 -7.337 3.587 1.00 0.26 H new ATOM 1707 N GLN B 33 13.226 -8.646 -0.054 1.00 0.35 N ATOM 1708 CA GLN B 33 13.893 -9.587 -0.948 1.00 0.40 C ATOM 1709 C GLN B 33 14.915 -8.880 -1.818 1.00 0.39 C ATOM 1710 O GLN B 33 16.024 -9.371 -2.029 1.00 0.48 O ATOM 1711 CB GLN B 33 12.878 -10.277 -1.846 1.00 0.43 C ATOM 1712 CG GLN B 33 11.759 -10.951 -1.100 1.00 0.47 C ATOM 1713 CD GLN B 33 12.236 -12.068 -0.200 1.00 0.57 C ATOM 1714 OE1 GLN B 33 12.364 -13.217 -0.622 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.476 -11.742 1.053 1.00 0.57 N ATOM 0 H GLN B 33 12.208 -8.664 -0.116 1.00 0.35 H new ATOM 0 HA GLN B 33 14.400 -10.326 -0.328 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.454 -9.542 -2.530 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.393 -11.019 -2.456 1.00 0.43 H new ATOM 0 HG2 GLN B 33 11.231 -10.209 -0.500 1.00 0.47 H new ATOM 0 HG3 GLN B 33 11.041 -11.351 -1.816 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.357 -10.777 1.361 1.00 0.57 H new ATOM 0 HE22 GLN B 33 12.781 -12.455 1.716 1.00 0.57 H new ATOM 1724 N TYR B 34 14.533 -7.720 -2.315 1.00 0.32 N ATOM 1725 CA TYR B 34 15.375 -6.980 -3.234 1.00 0.32 C ATOM 1726 C TYR B 34 15.693 -5.577 -2.728 1.00 0.30 C ATOM 1727 O TYR B 34 16.729 -5.014 -3.082 1.00 0.37 O ATOM 1728 CB TYR B 34 14.711 -6.914 -4.612 1.00 0.32 C ATOM 1729 CG TYR B 34 13.208 -7.068 -4.569 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.417 -6.128 -3.935 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.582 -8.161 -5.154 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.057 -6.260 -3.878 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.208 -8.303 -5.106 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.448 -7.349 -4.465 1.00 0.34 C ATOM 1735 OH TYR B 34 9.080 -7.495 -4.400 1.00 0.40 O ATOM 0 H TYR B 34 13.644 -7.269 -2.098 1.00 0.32 H new ATOM 0 HA TYR B 34 16.323 -7.512 -3.311 1.00 0.32 H new ATOM 0 HB2 TYR B 34 14.957 -5.960 -5.079 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.130 -7.696 -5.245 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.884 -5.270 -3.474 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.177 -8.911 -5.654 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.461 -5.513 -3.374 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.733 -9.156 -5.568 1.00 0.42 H new ATOM 0 HH TYR B 34 8.673 -6.647 -4.124 1.00 0.40 H new ATOM 1745 N PHE B 35 14.826 -5.007 -1.896 1.00 0.27 N ATOM 1746 CA PHE B 35 15.040 -3.646 -1.434 1.00 0.26 C ATOM 1747 C PHE B 35 14.501 -3.413 -0.029 1.00 0.25 C ATOM 1748 O PHE B 35 13.500 -3.995 0.366 1.00 0.25 O ATOM 1749 CB PHE B 35 14.434 -2.628 -2.415 1.00 0.25 C ATOM 1750 CG PHE B 35 12.976 -2.800 -2.748 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.005 -2.766 -1.768 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.582 -2.968 -4.064 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.677 -2.899 -2.085 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.248 -3.107 -4.389 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.294 -3.074 -3.397 1.00 0.18 C ATOM 0 H PHE B 35 13.985 -5.458 -1.536 1.00 0.27 H new ATOM 0 HA PHE B 35 16.119 -3.499 -1.394 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.573 -1.630 -2.000 1.00 0.25 H new ATOM 0 HB3 PHE B 35 15.003 -2.669 -3.344 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.295 -2.633 -0.736 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.327 -2.991 -4.846 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.931 -2.867 -1.305 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.953 -3.241 -5.419 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.249 -3.185 -3.646 1.00 0.18 H new ATOM 1765 N THR B 36 15.205 -2.571 0.717 1.00 0.27 N ATOM 1766 CA THR B 36 14.758 -2.096 2.021 1.00 0.27 C ATOM 1767 C THR B 36 15.647 -0.953 2.493 1.00 0.32 C ATOM 1768 O THR B 36 16.642 -0.621 1.846 1.00 0.45 O ATOM 1769 CB THR B 36 14.742 -3.207 3.089 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.672 -4.242 2.744 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.348 -3.778 3.239 1.00 0.27 C ATOM 0 H THR B 36 16.110 -2.195 0.432 1.00 0.27 H new ATOM 0 HA THR B 36 13.732 -1.751 1.894 1.00 0.27 H new ATOM 0 HB THR B 36 15.041 -2.774 4.044 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.653 -4.941 3.431 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.355 -4.561 3.997 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.661 -2.987 3.541 1.00 0.27 H new ATOM 0 HG23 THR B 36 13.022 -4.198 2.287 1.00 0.27 H new ATOM 1779 N ALA B 37 15.280 -0.353 3.612 1.00 0.32 N ATOM 1780 CA ALA B 37 16.037 0.758 4.168 1.00 0.35 C ATOM 1781 C ALA B 37 16.905 0.274 5.312 1.00 0.43 C ATOM 1782 O ALA B 37 17.101 -0.928 5.486 1.00 0.53 O ATOM 1783 CB ALA B 37 15.102 1.848 4.666 1.00 0.29 C ATOM 0 H ALA B 37 14.459 -0.617 4.156 1.00 0.32 H new ATOM 0 HA ALA B 37 16.669 1.169 3.381 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.688 2.670 5.078 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.496 2.214 3.837 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.451 1.443 5.440 1.00 0.29 H new ATOM 1789 N ARG B 38 17.412 1.220 6.088 1.00 0.44 N ATOM 1790 CA ARG B 38 18.222 0.914 7.252 1.00 0.52 C ATOM 1791 C ARG B 38 17.487 -0.016 8.219 1.00 0.56 C ATOM 1792 O ARG B 38 18.042 -1.023 8.658 1.00 0.67 O ATOM 1793 CB ARG B 38 18.641 2.210 7.960 1.00 0.57 C ATOM 1794 CG ARG B 38 17.519 2.932 8.692 1.00 0.67 C ATOM 1795 CD ARG B 38 16.645 3.736 7.763 1.00 0.93 C ATOM 1796 NE ARG B 38 17.391 4.748 7.014 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.835 5.897 7.528 1.00 2.28 C ATOM 1798 NH1 ARG B 38 17.689 6.158 8.823 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.443 6.779 6.745 1.00 2.94 N ATOM 0 H ARG B 38 17.273 2.218 5.927 1.00 0.44 H new ATOM 0 HA ARG B 38 19.116 0.392 6.912 1.00 0.52 H new ATOM 0 HB2 ARG B 38 19.431 1.977 8.675 1.00 0.57 H new ATOM 0 HB3 ARG B 38 19.069 2.888 7.222 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.906 2.202 9.221 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.948 3.593 9.445 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.152 3.062 7.062 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.861 4.224 8.342 1.00 0.93 H new ATOM 0 HE ARG B 38 17.585 4.562 6.030 1.00 1.60 H new ATOM 0 HH11 ARG B 38 17.235 5.478 9.432 1.00 2.75 H new ATOM 0 HH12 ARG B 38 18.031 7.039 9.208 1.00 2.75 H new ATOM 0 HH21 ARG B 38 18.570 6.578 5.753 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.783 7.658 7.135 1.00 2.94 H new ATOM 1813 N TRP B 39 16.232 0.327 8.515 1.00 0.54 N ATOM 1814 CA TRP B 39 15.385 -0.442 9.418 1.00 0.64 C ATOM 1815 C TRP B 39 16.075 -0.699 10.753 1.00 0.85 C ATOM 1816 O TRP B 39 16.513 -1.841 11.000 1.00 1.41 O ATOM 1817 CB TRP B 39 14.963 -1.749 8.748 1.00 0.60 C ATOM 1818 CG TRP B 39 14.008 -1.524 7.631 1.00 0.43 C ATOM 1819 CD1 TRP B 39 14.022 -0.495 6.752 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.901 -2.342 7.283 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.970 -0.608 5.876 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.271 -1.747 6.179 1.00 0.23 C ATOM 1823 CE3 TRP B 39 12.378 -3.520 7.800 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 11.145 -2.301 5.583 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 11.265 -4.062 7.205 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.657 -3.455 6.108 1.00 0.25 C ATOM 1827 OXT TRP B 39 16.186 0.256 11.545 1.00 1.45 O ATOM 0 H TRP B 39 15.775 1.153 8.130 1.00 0.54 H new ATOM 0 HA TRP B 39 14.491 0.143 9.633 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.847 -2.264 8.370 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.505 -2.404 9.489 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.754 0.299 6.741 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.747 0.046 5.126 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.837 -4.000 8.652 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.674 -1.831 4.732 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.852 -4.980 7.596 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.782 -3.910 5.667 1.00 0.25 H new TER 1838 TRP B 39