USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1127 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 43 GLN : amide:sc= 1.1 K(o=1.7,f=-2.4) USER MOD Set 1.2: A 115 SER OG : rot -167:sc= 0.631 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -1.76 K(o=-2.6,f=-3.6) USER MOD Set 2.2: A 30 LYS NZ :NH3+ -109:sc= -0.802 (180deg=-2.65!) USER MOD Single : A 0 SER N :NH3+ -162:sc= -0.133 (180deg=-0.451) USER MOD Single : A 0 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.00618 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0925 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.9) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.032) USER MOD Single : A 26 GLN : amide:sc= -2.41 X(o=-2.4,f=-2.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= -1.57 (180deg=-2.07!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -145:sc= -0.357 (180deg=-1.72!) USER MOD Single : A 57 HIS : no HD1:sc= -4.57! C(o=-4.6!,f=-7.4!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0822 F(o=-3.2!,f=-0.082) USER MOD Single : A 60 MET CE :methyl 148:sc= -5.1! (180deg=-7.04!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.553 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 74 ASN : amide:sc= -0.0361 X(o=-0.036,f=-0.13) USER MOD Single : A 76 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.073) USER MOD Single : A 84 ASN :FLIP amide:sc= -1.77 F(o=-3.9,f=-1.8) USER MOD Single : A 86 HIS : no HD1:sc= -6.58! C(o=-6.6!,f=-14!) USER MOD Single : A 87 SER OG : rot 140:sc= -0.471 USER MOD Single : A 88 MET CE :methyl -146:sc= -1.26 (180deg=-2.47!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.773 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0603 USER MOD Single : A 99 TYR OH : rot 174:sc= 0.559 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 30:sc= 0 USER MOD Single : A 111 MET CE :methyl -117:sc= -3.04 (180deg=-9.07!) USER MOD Single : A 113 TYR OH : rot 34:sc= 1.04 USER MOD Single : A 116 GLN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 118 THR OG1 : rot 53:sc= 0.331 USER MOD Single : B 331 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 332 SER OG : rot 180:sc= 0 USER MOD Single : B 339 THR OG1 : rot 49:sc= -1.46 USER MOD Single : B 340 HIS : no HD1:sc= -0.0574 K(o=-0.057,f=-0.87) USER MOD Single : B 342 SER OG : rot 176:sc= -0.475 USER MOD Single : B 343 SER OG : rot 180:sc= 0 USER MOD Single : B 344 LYS NZ :NH3+ -104:sc= -1.51! (180deg=-3.68!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -19.763 -13.935 -14.564 1.00 13.40 N ATOM 2 CA SER A 0 -21.131 -14.034 -14.084 1.00 44.32 C ATOM 3 C SER A 0 -21.146 -14.102 -12.556 1.00 24.50 C ATOM 4 O SER A 0 -22.149 -13.774 -11.925 1.00 54.43 O ATOM 5 CB SER A 0 -21.835 -15.256 -14.677 1.00 50.33 C ATOM 6 OG SER A 0 -21.051 -16.439 -14.546 1.00 54.05 O ATOM 0 H1 SER A 0 -19.763 -13.588 -15.544 1.00 13.40 H new ATOM 0 H2 SER A 0 -19.231 -13.274 -13.963 1.00 13.40 H new ATOM 0 H3 SER A 0 -19.314 -14.872 -14.529 1.00 13.40 H new ATOM 0 HA SER A 0 -21.672 -13.144 -14.407 1.00 44.32 H new ATOM 0 HB2 SER A 0 -22.794 -15.399 -14.179 1.00 50.33 H new ATOM 0 HB3 SER A 0 -22.047 -15.076 -15.731 1.00 50.33 H new ATOM 0 HG SER A 0 -21.535 -17.197 -14.935 1.00 54.05 H new ATOM 13 N MET A 1 -20.021 -14.532 -12.004 1.00 31.35 N ATOM 14 CA MET A 1 -19.892 -14.648 -10.561 1.00 61.55 C ATOM 15 C MET A 1 -20.253 -13.331 -9.870 1.00 74.03 C ATOM 16 O MET A 1 -20.117 -12.260 -10.459 1.00 34.20 O ATOM 17 CB MET A 1 -18.455 -15.033 -10.206 1.00 3.04 C ATOM 18 CG MET A 1 -18.178 -16.499 -10.549 1.00 13.42 C ATOM 19 SD MET A 1 -16.948 -17.164 -9.441 1.00 33.40 S ATOM 20 CE MET A 1 -17.951 -18.322 -8.524 1.00 2.42 C ATOM 0 H MET A 1 -19.190 -14.804 -12.530 1.00 31.35 H new ATOM 0 HA MET A 1 -20.580 -15.419 -10.215 1.00 61.55 H new ATOM 0 HB2 MET A 1 -17.759 -14.392 -10.747 1.00 3.04 H new ATOM 0 HB3 MET A 1 -18.282 -14.866 -9.143 1.00 3.04 H new ATOM 0 HG2 MET A 1 -19.098 -17.079 -10.474 1.00 13.42 H new ATOM 0 HG3 MET A 1 -17.833 -16.581 -11.580 1.00 13.42 H new ATOM 0 HE1 MET A 1 -17.334 -18.830 -7.782 1.00 2.42 H new ATOM 0 HE2 MET A 1 -18.757 -17.787 -8.021 1.00 2.42 H new ATOM 0 HE3 MET A 1 -18.375 -19.057 -9.208 1.00 2.42 H new ATOM 30 N PRO A 2 -20.719 -13.458 -8.599 1.00 72.22 N ATOM 31 CA PRO A 2 -21.102 -12.292 -7.823 1.00 32.22 C ATOM 32 C PRO A 2 -19.868 -11.532 -7.331 1.00 33.04 C ATOM 33 O PRO A 2 -19.487 -10.517 -7.913 1.00 20.31 O ATOM 34 CB PRO A 2 -21.955 -12.836 -6.688 1.00 4.41 C ATOM 35 CG PRO A 2 -21.637 -14.320 -6.603 1.00 61.45 C ATOM 36 CD PRO A 2 -20.895 -14.711 -7.871 1.00 64.53 C ATOM 0 HA PRO A 2 -21.661 -11.562 -8.409 1.00 32.22 H new ATOM 0 HB2 PRO A 2 -21.724 -12.332 -5.749 1.00 4.41 H new ATOM 0 HB3 PRO A 2 -23.015 -12.674 -6.884 1.00 4.41 H new ATOM 0 HG2 PRO A 2 -21.028 -14.530 -5.724 1.00 61.45 H new ATOM 0 HG3 PRO A 2 -22.553 -14.902 -6.502 1.00 61.45 H new ATOM 0 HD2 PRO A 2 -19.935 -15.174 -7.641 1.00 64.53 H new ATOM 0 HD3 PRO A 2 -21.465 -15.433 -8.457 1.00 64.53 H new ATOM 44 N SER A 3 -19.278 -12.052 -6.264 1.00 54.55 N ATOM 45 CA SER A 3 -18.095 -11.436 -5.689 1.00 22.24 C ATOM 46 C SER A 3 -16.841 -12.187 -6.141 1.00 14.34 C ATOM 47 O SER A 3 -16.927 -13.133 -6.921 1.00 50.13 O ATOM 48 CB SER A 3 -18.176 -11.410 -4.162 1.00 33.41 C ATOM 49 OG SER A 3 -18.752 -12.603 -3.637 1.00 60.34 O ATOM 0 H SER A 3 -19.598 -12.893 -5.783 1.00 54.55 H new ATOM 0 HA SER A 3 -18.040 -10.406 -6.041 1.00 22.24 H new ATOM 0 HB2 SER A 3 -17.176 -11.278 -3.748 1.00 33.41 H new ATOM 0 HB3 SER A 3 -18.768 -10.552 -3.845 1.00 33.41 H new ATOM 0 HG SER A 3 -18.784 -12.548 -2.659 1.00 60.34 H new ATOM 55 N GLU A 4 -15.704 -11.735 -5.632 1.00 34.45 N ATOM 56 CA GLU A 4 -14.433 -12.352 -5.973 1.00 54.11 C ATOM 57 C GLU A 4 -13.547 -12.464 -4.731 1.00 11.33 C ATOM 58 O GLU A 4 -13.933 -12.029 -3.648 1.00 33.54 O ATOM 59 CB GLU A 4 -13.726 -11.573 -7.084 1.00 54.23 C ATOM 60 CG GLU A 4 -13.152 -10.259 -6.552 1.00 71.21 C ATOM 61 CD GLU A 4 -12.625 -9.389 -7.694 1.00 41.21 C ATOM 62 OE1 GLU A 4 -13.380 -8.585 -8.262 1.00 71.45 O ATOM 63 OE2 GLU A 4 -11.382 -9.568 -7.987 1.00 44.24 O ATOM 0 H GLU A 4 -15.636 -10.949 -4.986 1.00 34.45 H new ATOM 0 HA GLU A 4 -14.628 -13.357 -6.347 1.00 54.11 H new ATOM 0 HB2 GLU A 4 -12.925 -12.180 -7.505 1.00 54.23 H new ATOM 0 HB3 GLU A 4 -14.428 -11.367 -7.892 1.00 54.23 H new ATOM 0 HG2 GLU A 4 -13.922 -9.717 -6.003 1.00 71.21 H new ATOM 0 HG3 GLU A 4 -12.347 -10.468 -5.848 1.00 71.21 H new ATOM 71 N LYS A 5 -12.375 -13.047 -4.931 1.00 65.13 N ATOM 72 CA LYS A 5 -11.429 -13.220 -3.841 1.00 64.22 C ATOM 73 C LYS A 5 -10.539 -11.980 -3.741 1.00 42.21 C ATOM 74 O LYS A 5 -10.620 -11.084 -4.580 1.00 42.45 O ATOM 75 CB LYS A 5 -10.649 -14.526 -4.011 1.00 3.33 C ATOM 76 CG LYS A 5 -11.551 -15.739 -3.777 1.00 34.13 C ATOM 77 CD LYS A 5 -11.915 -15.875 -2.296 1.00 12.43 C ATOM 78 CE LYS A 5 -12.735 -17.141 -2.047 1.00 30.32 C ATOM 79 NZ LYS A 5 -14.182 -16.851 -2.155 1.00 30.40 N ATOM 0 H LYS A 5 -12.058 -13.406 -5.832 1.00 65.13 H new ATOM 0 HA LYS A 5 -11.955 -13.311 -2.891 1.00 64.22 H new ATOM 0 HB2 LYS A 5 -10.225 -14.572 -5.014 1.00 3.33 H new ATOM 0 HB3 LYS A 5 -9.814 -14.549 -3.310 1.00 3.33 H new ATOM 0 HG2 LYS A 5 -12.460 -15.641 -4.371 1.00 34.13 H new ATOM 0 HG3 LYS A 5 -11.045 -16.643 -4.115 1.00 34.13 H new ATOM 0 HD2 LYS A 5 -11.006 -15.902 -1.695 1.00 12.43 H new ATOM 0 HD3 LYS A 5 -12.482 -15.001 -1.976 1.00 12.43 H new ATOM 0 HE2 LYS A 5 -12.457 -17.909 -2.769 1.00 30.32 H new ATOM 0 HE3 LYS A 5 -12.511 -17.538 -1.057 1.00 30.32 H new ATOM 0 HZ1 LYS A 5 -14.724 -17.722 -1.983 1.00 30.40 H new ATOM 0 HZ2 LYS A 5 -14.446 -16.134 -1.450 1.00 30.40 H new ATOM 0 HZ3 LYS A 5 -14.394 -16.494 -3.108 1.00 30.40 H new ATOM 92 N THR A 6 -9.709 -11.968 -2.709 1.00 33.53 N ATOM 93 CA THR A 6 -8.805 -10.853 -2.489 1.00 4.02 C ATOM 94 C THR A 6 -7.403 -11.194 -3.000 1.00 30.43 C ATOM 95 O THR A 6 -6.998 -12.355 -2.984 1.00 52.20 O ATOM 96 CB THR A 6 -8.840 -10.502 -1.000 1.00 22.24 C ATOM 97 OG1 THR A 6 -8.989 -11.761 -0.350 1.00 4.11 O ATOM 98 CG2 THR A 6 -10.101 -9.730 -0.610 1.00 10.13 C ATOM 0 H THR A 6 -9.644 -12.713 -2.016 1.00 33.53 H new ATOM 0 HA THR A 6 -9.117 -9.974 -3.052 1.00 4.02 H new ATOM 0 HB THR A 6 -7.960 -9.911 -0.746 1.00 22.24 H new ATOM 0 HG1 THR A 6 -9.019 -11.627 0.620 1.00 4.11 H new ATOM 0 HG21 THR A 6 -10.075 -9.506 0.456 1.00 10.13 H new ATOM 0 HG22 THR A 6 -10.147 -8.799 -1.175 1.00 10.13 H new ATOM 0 HG23 THR A 6 -10.981 -10.334 -0.833 1.00 10.13 H new ATOM 106 N PHE A 7 -6.700 -10.161 -3.440 1.00 14.25 N ATOM 107 CA PHE A 7 -5.353 -10.336 -3.954 1.00 2.32 C ATOM 108 C PHE A 7 -4.609 -11.428 -3.184 1.00 75.30 C ATOM 109 O PHE A 7 -3.798 -12.154 -3.756 1.00 5.33 O ATOM 110 CB PHE A 7 -4.624 -9.005 -3.761 1.00 22.33 C ATOM 111 CG PHE A 7 -4.941 -7.959 -4.832 1.00 1.32 C ATOM 112 CD1 PHE A 7 -4.298 -7.995 -6.030 1.00 23.32 C ATOM 113 CD2 PHE A 7 -5.867 -6.994 -4.586 1.00 42.21 C ATOM 114 CE1 PHE A 7 -4.593 -7.025 -7.023 1.00 4.32 C ATOM 115 CE2 PHE A 7 -6.162 -6.023 -5.580 1.00 62.01 C ATOM 116 CZ PHE A 7 -5.518 -6.059 -6.777 1.00 45.41 C ATOM 0 H PHE A 7 -7.039 -9.199 -3.451 1.00 14.25 H new ATOM 0 HA PHE A 7 -5.391 -10.631 -5.003 1.00 2.32 H new ATOM 0 HB2 PHE A 7 -4.884 -8.599 -2.783 1.00 22.33 H new ATOM 0 HB3 PHE A 7 -3.550 -9.189 -3.754 1.00 22.33 H new ATOM 0 HD1 PHE A 7 -3.563 -8.762 -6.226 1.00 23.32 H new ATOM 0 HD2 PHE A 7 -6.378 -6.966 -3.635 1.00 42.21 H new ATOM 0 HE1 PHE A 7 -4.083 -7.054 -7.974 1.00 4.32 H new ATOM 0 HE2 PHE A 7 -6.897 -5.257 -5.385 1.00 62.01 H new ATOM 0 HZ PHE A 7 -5.741 -5.320 -7.533 1.00 45.41 H new ATOM 126 N LYS A 8 -4.915 -11.512 -1.897 1.00 44.22 N ATOM 127 CA LYS A 8 -4.285 -12.504 -1.042 1.00 32.53 C ATOM 128 C LYS A 8 -4.745 -13.901 -1.464 1.00 55.43 C ATOM 129 O LYS A 8 -3.923 -14.771 -1.744 1.00 63.02 O ATOM 130 CB LYS A 8 -4.552 -12.189 0.431 1.00 13.04 C ATOM 131 CG LYS A 8 -6.048 -12.258 0.745 1.00 74.23 C ATOM 132 CD LYS A 8 -6.336 -11.753 2.160 1.00 43.31 C ATOM 133 CE LYS A 8 -7.251 -12.721 2.911 1.00 73.45 C ATOM 134 NZ LYS A 8 -7.593 -12.182 4.247 1.00 62.03 N ATOM 0 H LYS A 8 -5.590 -10.910 -1.426 1.00 44.22 H new ATOM 0 HA LYS A 8 -3.202 -12.475 -1.160 1.00 32.53 H new ATOM 0 HB2 LYS A 8 -4.012 -12.895 1.061 1.00 13.04 H new ATOM 0 HB3 LYS A 8 -4.173 -11.195 0.668 1.00 13.04 H new ATOM 0 HG2 LYS A 8 -6.603 -11.660 0.022 1.00 74.23 H new ATOM 0 HG3 LYS A 8 -6.397 -13.286 0.644 1.00 74.23 H new ATOM 0 HD2 LYS A 8 -5.400 -11.635 2.705 1.00 43.31 H new ATOM 0 HD3 LYS A 8 -6.803 -10.769 2.111 1.00 43.31 H new ATOM 0 HE2 LYS A 8 -8.162 -12.889 2.336 1.00 73.45 H new ATOM 0 HE3 LYS A 8 -6.758 -13.687 3.018 1.00 73.45 H new ATOM 0 HZ1 LYS A 8 -8.215 -12.852 4.743 1.00 62.03 H new ATOM 0 HZ2 LYS A 8 -6.722 -12.044 4.799 1.00 62.03 H new ATOM 0 HZ3 LYS A 8 -8.082 -11.271 4.139 1.00 62.03 H new ATOM 147 N GLN A 9 -6.059 -14.072 -1.498 1.00 11.21 N ATOM 148 CA GLN A 9 -6.638 -15.348 -1.881 1.00 54.31 C ATOM 149 C GLN A 9 -6.467 -15.578 -3.384 1.00 44.42 C ATOM 150 O GLN A 9 -5.885 -16.578 -3.801 1.00 24.31 O ATOM 151 CB GLN A 9 -8.113 -15.423 -1.480 1.00 22.42 C ATOM 152 CG GLN A 9 -8.260 -15.744 0.009 1.00 2.22 C ATOM 153 CD GLN A 9 -9.732 -15.771 0.421 1.00 30.23 C ATOM 154 OE1 GLN A 9 -10.381 -16.804 0.433 1.00 60.23 O ATOM 155 NE2 GLN A 9 -10.223 -14.582 0.758 1.00 51.32 N ATOM 0 H GLN A 9 -6.739 -13.348 -1.266 1.00 11.21 H new ATOM 0 HA GLN A 9 -6.110 -16.139 -1.349 1.00 54.31 H new ATOM 0 HB2 GLN A 9 -8.603 -14.475 -1.701 1.00 22.42 H new ATOM 0 HB3 GLN A 9 -8.616 -16.187 -2.072 1.00 22.42 H new ATOM 0 HG2 GLN A 9 -7.801 -16.709 0.224 1.00 2.22 H new ATOM 0 HG3 GLN A 9 -7.727 -14.999 0.600 1.00 2.22 H new ATOM 0 HE21 GLN A 9 -9.626 -13.756 0.726 1.00 51.32 H new ATOM 0 HE22 GLN A 9 -11.197 -14.496 1.048 1.00 51.32 H new ATOM 164 N ARG A 10 -6.984 -14.635 -4.158 1.00 33.32 N ATOM 165 CA ARG A 10 -6.897 -14.722 -5.606 1.00 63.54 C ATOM 166 C ARG A 10 -5.568 -15.359 -6.019 1.00 21.45 C ATOM 167 O ARG A 10 -5.539 -16.495 -6.488 1.00 12.11 O ATOM 168 CB ARG A 10 -7.013 -13.339 -6.249 1.00 14.11 C ATOM 169 CG ARG A 10 -7.467 -13.449 -7.706 1.00 62.12 C ATOM 170 CD ARG A 10 -6.897 -14.707 -8.365 1.00 31.52 C ATOM 171 NE ARG A 10 -7.340 -14.785 -9.775 1.00 21.25 N ATOM 172 CZ ARG A 10 -8.544 -15.254 -10.166 1.00 24.41 C ATOM 173 NH1 ARG A 10 -9.437 -15.693 -9.253 1.00 13.41 N ATOM 174 NH2 ARG A 10 -8.834 -15.279 -11.453 1.00 1.04 N ATOM 0 H ARG A 10 -7.465 -13.806 -3.809 1.00 33.32 H new ATOM 0 HA ARG A 10 -7.725 -15.341 -5.952 1.00 63.54 H new ATOM 0 HB2 ARG A 10 -7.723 -12.731 -5.688 1.00 14.11 H new ATOM 0 HB3 ARG A 10 -6.050 -12.830 -6.202 1.00 14.11 H new ATOM 0 HG2 ARG A 10 -8.556 -13.472 -7.750 1.00 62.12 H new ATOM 0 HG3 ARG A 10 -7.144 -12.567 -8.259 1.00 62.12 H new ATOM 0 HD2 ARG A 10 -5.808 -14.691 -8.318 1.00 31.52 H new ATOM 0 HD3 ARG A 10 -7.226 -15.593 -7.822 1.00 31.52 H new ATOM 0 HE ARG A 10 -6.695 -14.464 -10.497 1.00 21.25 H new ATOM 0 HH11 ARG A 10 -9.204 -15.672 -8.260 1.00 13.41 H new ATOM 0 HH12 ARG A 10 -10.345 -16.046 -9.556 1.00 13.41 H new ATOM 0 HH21 ARG A 10 -8.153 -14.947 -12.136 1.00 1.04 H new ATOM 0 HH22 ARG A 10 -9.739 -15.630 -11.765 1.00 1.04 H new ATOM 187 N ARG A 11 -4.500 -14.598 -5.829 1.00 45.45 N ATOM 188 CA ARG A 11 -3.171 -15.073 -6.177 1.00 60.44 C ATOM 189 C ARG A 11 -2.664 -16.053 -5.117 1.00 23.52 C ATOM 190 O ARG A 11 -2.801 -15.804 -3.920 1.00 70.40 O ATOM 191 CB ARG A 11 -2.185 -13.911 -6.300 1.00 33.13 C ATOM 192 CG ARG A 11 -2.088 -13.424 -7.748 1.00 63.31 C ATOM 193 CD ARG A 11 -3.279 -12.533 -8.107 1.00 62.03 C ATOM 194 NE ARG A 11 -3.463 -12.504 -9.575 1.00 52.54 N ATOM 195 CZ ARG A 11 -2.680 -11.804 -10.423 1.00 14.32 C ATOM 196 NH1 ARG A 11 -1.650 -11.067 -9.954 1.00 51.33 N ATOM 197 NH2 ARG A 11 -2.936 -11.850 -11.717 1.00 0.21 N ATOM 0 H ARG A 11 -4.528 -13.656 -5.439 1.00 45.45 H new ATOM 0 HA ARG A 11 -3.241 -15.578 -7.140 1.00 60.44 H new ATOM 0 HB2 ARG A 11 -2.503 -13.090 -5.657 1.00 33.13 H new ATOM 0 HB3 ARG A 11 -1.201 -14.226 -5.952 1.00 33.13 H new ATOM 0 HG2 ARG A 11 -1.160 -12.870 -7.888 1.00 63.31 H new ATOM 0 HG3 ARG A 11 -2.053 -14.280 -8.422 1.00 63.31 H new ATOM 0 HD2 ARG A 11 -4.182 -12.908 -7.626 1.00 62.03 H new ATOM 0 HD3 ARG A 11 -3.114 -11.523 -7.733 1.00 62.03 H new ATOM 0 HE ARG A 11 -4.230 -13.047 -9.971 1.00 52.54 H new ATOM 0 HH11 ARG A 11 -1.459 -11.037 -8.952 1.00 51.33 H new ATOM 0 HH12 ARG A 11 -1.063 -10.541 -10.601 1.00 51.33 H new ATOM 0 HH21 ARG A 11 -3.716 -12.409 -12.063 1.00 0.21 H new ATOM 0 HH22 ARG A 11 -2.354 -11.327 -12.371 1.00 0.21 H new ATOM 210 N SER A 12 -2.090 -17.147 -5.594 1.00 42.14 N ATOM 211 CA SER A 12 -1.561 -18.166 -4.702 1.00 40.31 C ATOM 212 C SER A 12 -0.237 -17.696 -4.098 1.00 43.33 C ATOM 213 O SER A 12 0.703 -17.378 -4.825 1.00 14.04 O ATOM 214 CB SER A 12 -1.369 -19.494 -5.436 1.00 20.01 C ATOM 215 OG SER A 12 -2.582 -20.236 -5.524 1.00 61.51 O ATOM 0 H SER A 12 -1.979 -17.351 -6.587 1.00 42.14 H new ATOM 0 HA SER A 12 -2.281 -18.327 -3.900 1.00 40.31 H new ATOM 0 HB2 SER A 12 -0.988 -19.302 -6.439 1.00 20.01 H new ATOM 0 HB3 SER A 12 -0.617 -20.089 -4.918 1.00 20.01 H new ATOM 0 HG SER A 12 -2.418 -21.076 -6.001 1.00 61.51 H new ATOM 221 N PHE A 13 -0.204 -17.668 -2.774 1.00 41.44 N ATOM 222 CA PHE A 13 0.990 -17.243 -2.064 1.00 63.33 C ATOM 223 C PHE A 13 2.254 -17.734 -2.773 1.00 44.41 C ATOM 224 O PHE A 13 3.061 -16.930 -3.239 1.00 20.03 O ATOM 225 CB PHE A 13 0.927 -17.868 -0.669 1.00 2.14 C ATOM 226 CG PHE A 13 1.621 -17.041 0.416 1.00 71.11 C ATOM 227 CD1 PHE A 13 1.460 -15.691 0.448 1.00 5.52 C ATOM 228 CD2 PHE A 13 2.397 -17.656 1.347 1.00 23.23 C ATOM 229 CE1 PHE A 13 2.105 -14.924 1.454 1.00 33.33 C ATOM 230 CE2 PHE A 13 3.041 -16.889 2.354 1.00 5.13 C ATOM 231 CZ PHE A 13 2.881 -15.538 2.386 1.00 61.43 C ATOM 0 H PHE A 13 -0.985 -17.933 -2.174 1.00 41.44 H new ATOM 0 HA PHE A 13 1.029 -16.155 -2.021 1.00 63.33 H new ATOM 0 HB2 PHE A 13 -0.118 -18.008 -0.392 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.383 -18.857 -0.705 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.842 -15.203 -0.291 1.00 5.52 H new ATOM 0 HD2 PHE A 13 2.524 -18.728 1.321 1.00 23.23 H new ATOM 0 HE1 PHE A 13 1.979 -13.852 1.479 1.00 33.33 H new ATOM 0 HE2 PHE A 13 3.657 -17.378 3.094 1.00 5.13 H new ATOM 0 HZ PHE A 13 3.370 -14.954 3.151 1.00 61.43 H new ATOM 241 N GLU A 14 2.388 -19.050 -2.832 1.00 55.44 N ATOM 242 CA GLU A 14 3.539 -19.658 -3.478 1.00 2.44 C ATOM 243 C GLU A 14 3.877 -18.914 -4.772 1.00 21.01 C ATOM 244 O GLU A 14 5.048 -18.722 -5.094 1.00 32.24 O ATOM 245 CB GLU A 14 3.296 -21.144 -3.747 1.00 3.33 C ATOM 246 CG GLU A 14 4.554 -21.967 -3.455 1.00 34.15 C ATOM 247 CD GLU A 14 4.687 -23.131 -4.437 1.00 72.44 C ATOM 248 OE1 GLU A 14 4.391 -24.282 -4.078 1.00 44.41 O ATOM 249 OE2 GLU A 14 5.112 -22.809 -5.612 1.00 21.22 O ATOM 0 H GLU A 14 1.718 -19.713 -2.443 1.00 55.44 H new ATOM 0 HA GLU A 14 4.392 -19.580 -2.804 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.473 -21.500 -3.128 1.00 3.33 H new ATOM 0 HB3 GLU A 14 2.998 -21.285 -4.786 1.00 3.33 H new ATOM 0 HG2 GLU A 14 5.435 -21.328 -3.521 1.00 34.15 H new ATOM 0 HG3 GLU A 14 4.514 -22.350 -2.435 1.00 34.15 H new ATOM 257 N GLN A 15 2.829 -18.516 -5.478 1.00 45.15 N ATOM 258 CA GLN A 15 3.000 -17.798 -6.729 1.00 41.13 C ATOM 259 C GLN A 15 3.424 -16.353 -6.458 1.00 53.54 C ATOM 260 O GLN A 15 4.277 -15.811 -7.160 1.00 72.22 O ATOM 261 CB GLN A 15 1.721 -17.846 -7.568 1.00 53.44 C ATOM 262 CG GLN A 15 2.043 -17.782 -9.062 1.00 54.20 C ATOM 263 CD GLN A 15 2.461 -19.155 -9.592 1.00 14.33 C ATOM 264 OE1 GLN A 15 3.631 -19.446 -9.780 1.00 75.04 O ATOM 265 NE2 GLN A 15 1.442 -19.979 -9.823 1.00 10.33 N ATOM 0 H GLN A 15 1.859 -18.677 -5.207 1.00 45.15 H new ATOM 0 HA GLN A 15 3.789 -18.286 -7.301 1.00 41.13 H new ATOM 0 HB2 GLN A 15 1.173 -18.762 -7.349 1.00 53.44 H new ATOM 0 HB3 GLN A 15 1.072 -17.014 -7.296 1.00 53.44 H new ATOM 0 HG2 GLN A 15 1.171 -17.427 -9.611 1.00 54.20 H new ATOM 0 HG3 GLN A 15 2.843 -17.062 -9.235 1.00 54.20 H new ATOM 0 HE21 GLN A 15 0.486 -19.671 -9.644 1.00 10.33 H new ATOM 0 HE22 GLN A 15 1.617 -20.919 -10.179 1.00 10.33 H new ATOM 274 N ARG A 16 2.809 -15.770 -5.440 1.00 3.03 N ATOM 275 CA ARG A 16 3.113 -14.400 -5.068 1.00 14.35 C ATOM 276 C ARG A 16 4.559 -14.289 -4.581 1.00 53.10 C ATOM 277 O ARG A 16 5.174 -13.229 -4.686 1.00 3.11 O ATOM 278 CB ARG A 16 2.172 -13.906 -3.967 1.00 24.11 C ATOM 279 CG ARG A 16 0.719 -13.913 -4.444 1.00 72.42 C ATOM 280 CD ARG A 16 -0.111 -12.872 -3.691 1.00 11.40 C ATOM 281 NE ARG A 16 0.527 -11.541 -3.802 1.00 51.11 N ATOM 282 CZ ARG A 16 0.586 -10.823 -4.944 1.00 12.01 C ATOM 283 NH1 ARG A 16 0.046 -11.302 -6.084 1.00 15.11 N ATOM 284 NH2 ARG A 16 1.182 -9.644 -4.928 1.00 73.11 N ATOM 0 H ARG A 16 2.101 -16.222 -4.861 1.00 3.03 H new ATOM 0 HA ARG A 16 2.976 -13.779 -5.953 1.00 14.35 H new ATOM 0 HB2 ARG A 16 2.272 -14.540 -3.086 1.00 24.11 H new ATOM 0 HB3 ARG A 16 2.455 -12.897 -3.667 1.00 24.11 H new ATOM 0 HG2 ARG A 16 0.683 -13.707 -5.514 1.00 72.42 H new ATOM 0 HG3 ARG A 16 0.289 -14.903 -4.295 1.00 72.42 H new ATOM 0 HD2 ARG A 16 -1.121 -12.836 -4.099 1.00 11.40 H new ATOM 0 HD3 ARG A 16 -0.201 -13.155 -2.642 1.00 11.40 H new ATOM 0 HE ARG A 16 0.948 -11.141 -2.964 1.00 51.11 H new ATOM 0 HH11 ARG A 16 -0.412 -12.214 -6.088 1.00 15.11 H new ATOM 0 HH12 ARG A 16 0.095 -10.752 -6.942 1.00 15.11 H new ATOM 0 HH21 ARG A 16 1.588 -9.290 -4.062 1.00 73.11 H new ATOM 0 HH22 ARG A 16 1.236 -9.088 -5.782 1.00 73.11 H new ATOM 297 N VAL A 17 5.060 -15.398 -4.059 1.00 23.21 N ATOM 298 CA VAL A 17 6.423 -15.439 -3.555 1.00 72.24 C ATOM 299 C VAL A 17 7.395 -15.521 -4.733 1.00 12.31 C ATOM 300 O VAL A 17 8.501 -14.987 -4.667 1.00 41.11 O ATOM 301 CB VAL A 17 6.581 -16.598 -2.569 1.00 61.12 C ATOM 302 CG1 VAL A 17 8.026 -16.707 -2.078 1.00 70.24 C ATOM 303 CG2 VAL A 17 5.611 -16.455 -1.393 1.00 4.10 C ATOM 0 H VAL A 17 4.547 -16.276 -3.974 1.00 23.21 H new ATOM 0 HA VAL A 17 6.655 -14.527 -3.005 1.00 72.24 H new ATOM 0 HB VAL A 17 6.335 -17.521 -3.095 1.00 61.12 H new ATOM 0 HG11 VAL A 17 8.111 -17.539 -1.378 1.00 70.24 H new ATOM 0 HG12 VAL A 17 8.687 -16.879 -2.928 1.00 70.24 H new ATOM 0 HG13 VAL A 17 8.311 -15.782 -1.578 1.00 70.24 H new ATOM 0 HG21 VAL A 17 5.744 -17.292 -0.707 1.00 4.10 H new ATOM 0 HG22 VAL A 17 5.811 -15.521 -0.868 1.00 4.10 H new ATOM 0 HG23 VAL A 17 4.586 -16.450 -1.765 1.00 4.10 H new ATOM 313 N GLU A 18 6.946 -16.191 -5.785 1.00 25.41 N ATOM 314 CA GLU A 18 7.763 -16.349 -6.976 1.00 5.04 C ATOM 315 C GLU A 18 7.730 -15.070 -7.815 1.00 14.13 C ATOM 316 O GLU A 18 8.729 -14.698 -8.428 1.00 42.13 O ATOM 317 CB GLU A 18 7.309 -17.556 -7.797 1.00 74.55 C ATOM 318 CG GLU A 18 8.421 -18.036 -8.730 1.00 43.23 C ATOM 319 CD GLU A 18 7.896 -19.074 -9.724 1.00 34.23 C ATOM 320 OE1 GLU A 18 8.585 -19.403 -10.700 1.00 42.32 O ATOM 321 OE2 GLU A 18 6.725 -19.544 -9.452 1.00 63.31 O ATOM 0 H GLU A 18 6.027 -16.630 -5.837 1.00 25.41 H new ATOM 0 HA GLU A 18 8.792 -16.530 -6.666 1.00 5.04 H new ATOM 0 HB2 GLU A 18 7.016 -18.365 -7.128 1.00 74.55 H new ATOM 0 HB3 GLU A 18 6.428 -17.291 -8.382 1.00 74.55 H new ATOM 0 HG2 GLU A 18 8.837 -17.187 -9.272 1.00 43.23 H new ATOM 0 HG3 GLU A 18 9.232 -18.468 -8.143 1.00 43.23 H new ATOM 329 N ASP A 19 6.568 -14.432 -7.817 1.00 32.14 N ATOM 330 CA ASP A 19 6.390 -13.203 -8.572 1.00 24.24 C ATOM 331 C ASP A 19 7.395 -12.158 -8.079 1.00 51.31 C ATOM 332 O ASP A 19 8.130 -11.576 -8.875 1.00 42.23 O ATOM 333 CB ASP A 19 4.984 -12.635 -8.376 1.00 51.12 C ATOM 334 CG ASP A 19 4.415 -11.887 -9.583 1.00 40.34 C ATOM 335 OD1 ASP A 19 4.431 -10.649 -9.633 1.00 21.13 O ATOM 336 OD2 ASP A 19 3.932 -12.640 -10.514 1.00 21.13 O ATOM 0 H ASP A 19 5.741 -14.743 -7.308 1.00 32.14 H new ATOM 0 HA ASP A 19 6.543 -13.430 -9.627 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.310 -13.453 -8.124 1.00 51.12 H new ATOM 0 HB3 ASP A 19 4.998 -11.958 -7.522 1.00 51.12 H new ATOM 342 N VAL A 20 7.393 -11.953 -6.771 1.00 71.23 N ATOM 343 CA VAL A 20 8.295 -10.989 -6.163 1.00 54.42 C ATOM 344 C VAL A 20 9.738 -11.346 -6.528 1.00 35.23 C ATOM 345 O VAL A 20 10.544 -10.465 -6.820 1.00 13.24 O ATOM 346 CB VAL A 20 8.056 -10.928 -4.653 1.00 4.51 C ATOM 347 CG1 VAL A 20 9.072 -11.793 -3.904 1.00 23.14 C ATOM 348 CG2 VAL A 20 8.089 -9.484 -4.151 1.00 35.51 C ATOM 0 H VAL A 20 6.781 -12.438 -6.114 1.00 71.23 H new ATOM 0 HA VAL A 20 8.101 -9.988 -6.549 1.00 54.42 H new ATOM 0 HB VAL A 20 7.062 -11.328 -4.453 1.00 4.51 H new ATOM 0 HG11 VAL A 20 8.881 -11.733 -2.833 1.00 23.14 H new ATOM 0 HG12 VAL A 20 8.980 -12.829 -4.232 1.00 23.14 H new ATOM 0 HG13 VAL A 20 10.080 -11.435 -4.114 1.00 23.14 H new ATOM 0 HG21 VAL A 20 7.916 -9.469 -3.075 1.00 35.51 H new ATOM 0 HG22 VAL A 20 9.063 -9.045 -4.369 1.00 35.51 H new ATOM 0 HG23 VAL A 20 7.311 -8.907 -4.651 1.00 35.51 H new ATOM 358 N ARG A 21 10.018 -12.640 -6.498 1.00 73.35 N ATOM 359 CA ARG A 21 11.349 -13.126 -6.821 1.00 12.33 C ATOM 360 C ARG A 21 11.924 -12.347 -8.006 1.00 3.32 C ATOM 361 O ARG A 21 13.127 -12.095 -8.062 1.00 20.04 O ATOM 362 CB ARG A 21 11.324 -14.617 -7.165 1.00 32.23 C ATOM 363 CG ARG A 21 12.729 -15.217 -7.102 1.00 24.21 C ATOM 364 CD ARG A 21 13.406 -14.891 -5.769 1.00 65.53 C ATOM 365 NE ARG A 21 14.498 -15.855 -5.508 1.00 31.50 N ATOM 366 CZ ARG A 21 15.382 -15.739 -4.493 1.00 64.23 C ATOM 367 NH1 ARG A 21 15.310 -14.699 -3.636 1.00 64.10 N ATOM 368 NH2 ARG A 21 16.318 -16.660 -4.353 1.00 2.31 N ATOM 0 H ARG A 21 9.346 -13.368 -6.255 1.00 73.35 H new ATOM 0 HA ARG A 21 11.978 -12.978 -5.943 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.668 -15.143 -6.471 1.00 32.23 H new ATOM 0 HB3 ARG A 21 10.909 -14.757 -8.163 1.00 32.23 H new ATOM 0 HG2 ARG A 21 12.673 -16.298 -7.230 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.331 -14.829 -7.924 1.00 24.21 H new ATOM 0 HD2 ARG A 21 13.803 -13.876 -5.792 1.00 65.53 H new ATOM 0 HD3 ARG A 21 12.675 -14.929 -4.961 1.00 65.53 H new ATOM 0 HE ARG A 21 14.589 -16.656 -6.133 1.00 31.50 H new ATOM 0 HH11 ARG A 21 14.584 -13.992 -3.752 1.00 64.10 H new ATOM 0 HH12 ARG A 21 15.982 -14.620 -2.873 1.00 64.10 H new ATOM 0 HH21 ARG A 21 16.365 -17.443 -5.005 1.00 2.31 H new ATOM 0 HH22 ARG A 21 16.994 -16.589 -3.592 1.00 2.31 H new ATOM 381 N LEU A 22 11.039 -11.986 -8.923 1.00 21.23 N ATOM 382 CA LEU A 22 11.444 -11.240 -10.102 1.00 44.20 C ATOM 383 C LEU A 22 11.935 -9.854 -9.680 1.00 44.01 C ATOM 384 O LEU A 22 13.020 -9.429 -10.074 1.00 64.33 O ATOM 385 CB LEU A 22 10.310 -11.204 -11.129 1.00 45.15 C ATOM 386 CG LEU A 22 9.925 -12.550 -11.749 1.00 0.33 C ATOM 387 CD1 LEU A 22 9.498 -12.379 -13.208 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.058 -13.568 -11.599 1.00 33.03 C ATOM 0 H LEU A 22 10.042 -12.196 -8.873 1.00 21.23 H new ATOM 0 HA LEU A 22 12.278 -11.736 -10.599 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.427 -10.780 -10.651 1.00 45.15 H new ATOM 0 HB3 LEU A 22 10.595 -10.524 -11.932 1.00 45.15 H new ATOM 0 HG LEU A 22 9.066 -12.943 -11.205 1.00 0.33 H new ATOM 0 HD11 LEU A 22 9.230 -13.350 -13.625 1.00 14.41 H new ATOM 0 HD12 LEU A 22 8.638 -11.712 -13.259 1.00 14.41 H new ATOM 0 HD13 LEU A 22 10.322 -11.953 -13.781 1.00 14.41 H new ATOM 0 HD21 LEU A 22 10.758 -14.515 -12.048 1.00 33.03 H new ATOM 0 HD22 LEU A 22 11.951 -13.195 -12.101 1.00 33.03 H new ATOM 0 HD23 LEU A 22 11.273 -13.720 -10.541 1.00 33.03 H new ATOM 400 N ILE A 23 11.112 -9.186 -8.886 1.00 72.43 N ATOM 401 CA ILE A 23 11.449 -7.856 -8.406 1.00 73.03 C ATOM 402 C ILE A 23 12.668 -7.945 -7.486 1.00 50.41 C ATOM 403 O ILE A 23 13.395 -6.967 -7.317 1.00 52.54 O ATOM 404 CB ILE A 23 10.231 -7.198 -7.753 1.00 1.30 C ATOM 405 CG1 ILE A 23 9.997 -5.796 -8.320 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.367 -7.185 -6.229 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.473 -5.866 -9.756 1.00 24.34 C ATOM 0 H ILE A 23 10.212 -9.541 -8.563 1.00 72.43 H new ATOM 0 HA ILE A 23 11.724 -7.208 -9.238 1.00 73.03 H new ATOM 0 HB ILE A 23 9.350 -7.794 -7.992 1.00 1.30 H new ATOM 0 HG12 ILE A 23 9.283 -5.261 -7.694 1.00 62.53 H new ATOM 0 HG13 ILE A 23 10.928 -5.230 -8.296 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.489 -6.712 -5.789 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.450 -8.208 -5.862 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.259 -6.625 -5.948 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.315 -4.856 -10.135 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.201 -6.380 -10.384 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.530 -6.412 -9.773 1.00 24.34 H new ATOM 419 N ARG A 24 12.854 -9.126 -6.915 1.00 12.34 N ATOM 420 CA ARG A 24 13.973 -9.354 -6.016 1.00 45.23 C ATOM 421 C ARG A 24 15.286 -9.386 -6.801 1.00 1.14 C ATOM 422 O ARG A 24 16.328 -8.973 -6.292 1.00 74.04 O ATOM 423 CB ARG A 24 13.810 -10.673 -5.257 1.00 34.14 C ATOM 424 CG ARG A 24 13.435 -10.420 -3.795 1.00 13.13 C ATOM 425 CD ARG A 24 14.646 -9.937 -2.995 1.00 0.34 C ATOM 426 NE ARG A 24 15.296 -11.082 -2.320 1.00 52.12 N ATOM 427 CZ ARG A 24 16.030 -10.978 -1.191 1.00 54.35 C ATOM 428 NH1 ARG A 24 16.212 -9.778 -0.600 1.00 71.43 N ATOM 429 NH2 ARG A 24 16.565 -12.068 -0.674 1.00 1.01 N ATOM 0 H ARG A 24 12.249 -9.935 -7.057 1.00 12.34 H new ATOM 0 HA ARG A 24 13.994 -8.534 -5.298 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.040 -11.279 -5.734 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.739 -11.242 -5.305 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.640 -9.676 -3.743 1.00 13.13 H new ATOM 0 HG3 ARG A 24 13.044 -11.336 -3.352 1.00 13.13 H new ATOM 0 HD2 ARG A 24 15.357 -9.444 -3.658 1.00 0.34 H new ATOM 0 HD3 ARG A 24 14.333 -9.199 -2.257 1.00 0.34 H new ATOM 0 HE ARG A 24 15.183 -12.008 -2.733 1.00 52.12 H new ATOM 0 HH11 ARG A 24 15.794 -8.941 -1.006 1.00 71.43 H new ATOM 0 HH12 ARG A 24 16.768 -9.708 0.252 1.00 71.43 H new ATOM 0 HH21 ARG A 24 16.421 -12.971 -1.127 1.00 1.01 H new ATOM 0 HH22 ARG A 24 17.122 -12.008 0.178 1.00 1.01 H new ATOM 442 N GLU A 25 15.195 -9.878 -8.028 1.00 75.54 N ATOM 443 CA GLU A 25 16.363 -9.969 -8.887 1.00 71.24 C ATOM 444 C GLU A 25 16.414 -8.773 -9.839 1.00 4.54 C ATOM 445 O GLU A 25 17.469 -8.458 -10.389 1.00 51.11 O ATOM 446 CB GLU A 25 16.371 -11.288 -9.663 1.00 21.24 C ATOM 447 CG GLU A 25 15.131 -11.411 -10.550 1.00 65.42 C ATOM 448 CD GLU A 25 15.235 -12.627 -11.472 1.00 43.43 C ATOM 449 OE1 GLU A 25 15.820 -12.531 -12.561 1.00 42.04 O ATOM 450 OE2 GLU A 25 14.682 -13.702 -11.021 1.00 50.21 O ATOM 0 H GLU A 25 14.330 -10.218 -8.448 1.00 75.54 H new ATOM 0 HA GLU A 25 17.255 -9.949 -8.260 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.269 -11.347 -10.278 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.407 -12.124 -8.965 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.241 -11.498 -9.927 1.00 65.42 H new ATOM 0 HG3 GLU A 25 15.015 -10.506 -11.147 1.00 65.42 H new ATOM 458 N GLN A 26 15.263 -8.139 -10.005 1.00 42.22 N ATOM 459 CA GLN A 26 15.164 -6.985 -10.882 1.00 1.04 C ATOM 460 C GLN A 26 15.422 -5.697 -10.096 1.00 74.23 C ATOM 461 O GLN A 26 16.338 -4.942 -10.416 1.00 72.32 O ATOM 462 CB GLN A 26 13.802 -6.939 -11.578 1.00 4.32 C ATOM 463 CG GLN A 26 13.691 -8.037 -12.637 1.00 11.50 C ATOM 464 CD GLN A 26 12.476 -7.807 -13.539 1.00 70.32 C ATOM 465 OE1 GLN A 26 12.253 -6.728 -14.063 1.00 21.42 O ATOM 466 NE2 GLN A 26 11.704 -8.881 -13.689 1.00 14.23 N ATOM 0 H GLN A 26 14.391 -8.403 -9.547 1.00 42.22 H new ATOM 0 HA GLN A 26 15.927 -7.075 -11.655 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.008 -7.058 -10.840 1.00 4.32 H new ATOM 0 HB3 GLN A 26 13.660 -5.964 -12.044 1.00 4.32 H new ATOM 0 HG2 GLN A 26 14.598 -8.058 -13.241 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.609 -9.009 -12.151 1.00 11.50 H new ATOM 0 HE21 GLN A 26 11.948 -9.754 -13.222 1.00 14.23 H new ATOM 0 HE22 GLN A 26 10.868 -8.831 -14.271 1.00 14.23 H new ATOM 475 N HIS A 27 14.596 -5.487 -9.080 1.00 51.23 N ATOM 476 CA HIS A 27 14.723 -4.304 -8.245 1.00 52.43 C ATOM 477 C HIS A 27 14.984 -4.723 -6.798 1.00 72.33 C ATOM 478 O HIS A 27 14.072 -4.720 -5.972 1.00 1.33 O ATOM 479 CB HIS A 27 13.494 -3.404 -8.390 1.00 21.24 C ATOM 480 CG HIS A 27 13.174 -3.024 -9.816 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.310 -1.734 -10.298 1.00 31.43 N ATOM 482 CD2 HIS A 27 12.724 -3.779 -10.860 1.00 21.41 C ATOM 483 CE1 HIS A 27 12.955 -1.723 -11.573 1.00 74.54 C ATOM 484 NE2 HIS A 27 12.591 -2.992 -11.920 1.00 22.24 N ATOM 0 H HIS A 27 13.837 -6.116 -8.817 1.00 51.23 H new ATOM 0 HA HIS A 27 15.577 -3.711 -8.574 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.632 -3.912 -7.958 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.652 -2.495 -7.810 1.00 21.24 H new ATOM 0 HD2 HIS A 27 12.512 -4.838 -10.829 1.00 21.41 H new ATOM 0 HE1 HIS A 27 12.954 -0.861 -12.224 1.00 74.54 H new ATOM 0 HE2 HIS A 27 12.270 -3.287 -12.842 1.00 22.24 H new ATOM 492 N PRO A 28 16.267 -5.085 -6.527 1.00 55.03 N ATOM 493 CA PRO A 28 16.660 -5.507 -5.194 1.00 41.14 C ATOM 494 C PRO A 28 16.762 -4.309 -4.248 1.00 41.12 C ATOM 495 O PRO A 28 16.514 -4.436 -3.050 1.00 74.04 O ATOM 496 CB PRO A 28 17.985 -6.228 -5.384 1.00 22.43 C ATOM 497 CG PRO A 28 18.512 -5.782 -6.738 1.00 40.31 C ATOM 498 CD PRO A 28 17.372 -5.103 -7.481 1.00 2.23 C ATOM 0 HA PRO A 28 15.927 -6.165 -4.728 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.686 -5.973 -4.589 1.00 22.43 H new ATOM 0 HB3 PRO A 28 17.849 -7.309 -5.355 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.350 -5.096 -6.614 1.00 40.31 H new ATOM 0 HG3 PRO A 28 18.881 -6.637 -7.304 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.646 -4.094 -7.789 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.106 -5.651 -8.385 1.00 2.23 H new ATOM 506 N THR A 29 17.127 -3.172 -4.822 1.00 63.23 N ATOM 507 CA THR A 29 17.266 -1.952 -4.045 1.00 35.40 C ATOM 508 C THR A 29 15.939 -1.189 -4.010 1.00 2.51 C ATOM 509 O THR A 29 15.927 0.038 -3.926 1.00 3.01 O ATOM 510 CB THR A 29 18.419 -1.140 -4.639 1.00 72.21 C ATOM 511 OG1 THR A 29 18.083 -1.020 -6.019 1.00 20.14 O ATOM 512 CG2 THR A 29 19.738 -1.914 -4.642 1.00 4.31 C ATOM 0 H THR A 29 17.331 -3.070 -5.816 1.00 63.23 H new ATOM 0 HA THR A 29 17.507 -2.171 -3.005 1.00 35.40 H new ATOM 0 HB THR A 29 18.542 -0.216 -4.074 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.777 -0.505 -6.481 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.523 -1.293 -5.073 1.00 4.31 H new ATOM 0 HG22 THR A 29 20.006 -2.180 -3.619 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.626 -2.822 -5.235 1.00 4.31 H new ATOM 520 N LYS A 30 14.856 -1.947 -4.079 1.00 73.12 N ATOM 521 CA LYS A 30 13.527 -1.359 -4.057 1.00 13.34 C ATOM 522 C LYS A 30 12.629 -2.171 -3.123 1.00 74.25 C ATOM 523 O LYS A 30 12.816 -3.377 -2.969 1.00 52.32 O ATOM 524 CB LYS A 30 12.977 -1.225 -5.478 1.00 53.11 C ATOM 525 CG LYS A 30 13.819 -0.248 -6.303 1.00 74.24 C ATOM 526 CD LYS A 30 13.268 1.175 -6.197 1.00 31.34 C ATOM 527 CE LYS A 30 13.289 1.874 -7.557 1.00 62.14 C ATOM 528 NZ LYS A 30 12.660 1.020 -8.589 1.00 64.44 N ATOM 0 H LYS A 30 14.871 -2.964 -4.150 1.00 73.12 H new ATOM 0 HA LYS A 30 13.566 -0.345 -3.659 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.969 -2.202 -5.962 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.944 -0.879 -5.441 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.852 -0.269 -5.955 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.828 -0.562 -7.347 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.248 1.146 -5.815 1.00 31.34 H new ATOM 0 HD3 LYS A 30 13.860 1.746 -5.482 1.00 31.34 H new ATOM 0 HE2 LYS A 30 12.760 2.825 -7.492 1.00 62.14 H new ATOM 0 HE3 LYS A 30 14.317 2.100 -7.841 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 13.391 0.661 -9.235 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 12.179 0.220 -8.131 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 11.967 1.579 -9.127 1.00 64.44 H new ATOM 541 N ILE A 31 11.672 -1.479 -2.523 1.00 11.23 N ATOM 542 CA ILE A 31 10.744 -2.121 -1.609 1.00 34.53 C ATOM 543 C ILE A 31 9.442 -2.437 -2.348 1.00 61.33 C ATOM 544 O ILE A 31 8.710 -1.530 -2.740 1.00 14.43 O ATOM 545 CB ILE A 31 10.546 -1.265 -0.356 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.882 -0.994 0.339 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.526 -1.903 0.590 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.409 -2.257 1.025 1.00 43.44 C ATOM 0 H ILE A 31 11.519 -0.479 -2.652 1.00 11.23 H new ATOM 0 HA ILE A 31 11.151 -3.069 -1.259 1.00 34.53 H new ATOM 0 HB ILE A 31 10.140 -0.301 -0.662 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.611 -0.641 -0.391 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.758 -0.200 1.076 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.405 -1.274 1.472 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.568 -2.001 0.080 1.00 3.42 H new ATOM 0 HG23 ILE A 31 9.878 -2.889 0.893 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.359 -2.037 1.511 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.689 -2.593 1.771 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.554 -3.041 0.282 1.00 43.44 H new ATOM 560 N PRO A 32 9.186 -3.762 -2.521 1.00 41.13 N ATOM 561 CA PRO A 32 7.986 -4.209 -3.207 1.00 31.23 C ATOM 562 C PRO A 32 6.754 -4.053 -2.314 1.00 60.01 C ATOM 563 O PRO A 32 6.811 -4.334 -1.118 1.00 33.01 O ATOM 564 CB PRO A 32 8.265 -5.654 -3.586 1.00 4.31 C ATOM 565 CG PRO A 32 9.415 -6.104 -2.699 1.00 32.45 C ATOM 566 CD PRO A 32 10.031 -4.865 -2.071 1.00 10.22 C ATOM 0 HA PRO A 32 7.762 -3.615 -4.093 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.384 -6.276 -3.428 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.529 -5.737 -4.640 1.00 4.31 H new ATOM 0 HG2 PRO A 32 9.058 -6.786 -1.927 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.159 -6.646 -3.283 1.00 32.45 H new ATOM 0 HD2 PRO A 32 10.043 -4.937 -0.983 1.00 10.22 H new ATOM 0 HD3 PRO A 32 11.064 -4.730 -2.393 1.00 10.22 H new ATOM 574 N VAL A 33 5.669 -3.606 -2.929 1.00 12.13 N ATOM 575 CA VAL A 33 4.425 -3.409 -2.205 1.00 24.23 C ATOM 576 C VAL A 33 3.246 -3.719 -3.130 1.00 4.32 C ATOM 577 O VAL A 33 3.400 -3.741 -4.350 1.00 1.31 O ATOM 578 CB VAL A 33 4.374 -1.993 -1.626 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.719 -1.605 -1.010 1.00 5.21 C ATOM 580 CG2 VAL A 33 3.946 -0.981 -2.692 1.00 4.04 C ATOM 0 H VAL A 33 5.626 -3.375 -3.921 1.00 12.13 H new ATOM 0 HA VAL A 33 4.364 -4.094 -1.359 1.00 24.23 H new ATOM 0 HB VAL A 33 3.626 -1.981 -0.833 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.656 -0.595 -0.606 1.00 5.21 H new ATOM 0 HG12 VAL A 33 5.967 -2.302 -0.209 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.494 -1.642 -1.776 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.918 0.017 -2.255 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.660 -0.997 -3.516 1.00 4.04 H new ATOM 0 HG23 VAL A 33 2.956 -1.242 -3.065 1.00 4.04 H new ATOM 590 N ILE A 34 2.097 -3.952 -2.513 1.00 53.34 N ATOM 591 CA ILE A 34 0.893 -4.260 -3.267 1.00 0.30 C ATOM 592 C ILE A 34 -0.247 -3.358 -2.789 1.00 63.12 C ATOM 593 O ILE A 34 -0.842 -3.607 -1.741 1.00 30.23 O ATOM 594 CB ILE A 34 0.574 -5.754 -3.180 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.531 -6.570 -4.052 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.891 -6.023 -3.528 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.002 -6.687 -5.483 1.00 42.24 C ATOM 0 H ILE A 34 1.974 -3.934 -1.501 1.00 53.34 H new ATOM 0 HA ILE A 34 1.042 -4.051 -4.326 1.00 0.30 H new ATOM 0 HB ILE A 34 0.724 -6.076 -2.150 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.513 -6.098 -4.061 1.00 35.11 H new ATOM 0 HG13 ILE A 34 1.659 -7.565 -3.625 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -1.091 -7.092 -3.458 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.535 -5.487 -2.831 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -1.092 -5.681 -4.543 1.00 40.24 H new ATOM 0 HD11 ILE A 34 1.700 -7.271 -6.082 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.031 -7.181 -5.473 1.00 42.24 H new ATOM 0 HD13 ILE A 34 0.898 -5.692 -5.915 1.00 42.24 H new ATOM 609 N ILE A 35 -0.518 -2.331 -3.579 1.00 13.32 N ATOM 610 CA ILE A 35 -1.576 -1.391 -3.250 1.00 43.02 C ATOM 611 C ILE A 35 -2.908 -1.922 -3.785 1.00 62.52 C ATOM 612 O ILE A 35 -3.067 -2.109 -4.990 1.00 31.22 O ATOM 613 CB ILE A 35 -1.225 0.009 -3.754 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.253 0.324 -3.517 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.143 1.063 -3.131 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.485 0.821 -2.088 1.00 12.23 C ATOM 0 H ILE A 35 -0.023 -2.128 -4.447 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.680 -1.298 -2.169 1.00 43.02 H new ATOM 0 HB ILE A 35 -1.390 0.034 -4.831 1.00 14.43 H new ATOM 0 HG12 ILE A 35 0.852 -0.568 -3.697 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.586 1.080 -4.228 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -1.872 2.050 -3.507 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.178 0.846 -3.395 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.034 1.045 -2.047 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.544 1.038 -1.946 1.00 12.23 H new ATOM 0 HD12 ILE A 35 -0.097 1.727 -1.919 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.174 0.053 -1.380 1.00 12.23 H new ATOM 628 N GLU A 36 -3.831 -2.150 -2.862 1.00 14.05 N ATOM 629 CA GLU A 36 -5.144 -2.655 -3.225 1.00 10.15 C ATOM 630 C GLU A 36 -6.237 -1.741 -2.668 1.00 32.02 C ATOM 631 O GLU A 36 -6.024 -1.047 -1.676 1.00 33.43 O ATOM 632 CB GLU A 36 -5.331 -4.094 -2.739 1.00 14.40 C ATOM 633 CG GLU A 36 -4.161 -4.976 -3.175 1.00 64.41 C ATOM 634 CD GLU A 36 -4.046 -6.215 -2.283 1.00 73.35 C ATOM 635 OE1 GLU A 36 -3.088 -6.990 -2.418 1.00 11.42 O ATOM 636 OE2 GLU A 36 -4.999 -6.358 -1.424 1.00 2.44 O ATOM 0 H GLU A 36 -3.695 -1.994 -1.863 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.222 -2.661 -4.312 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -5.415 -4.107 -1.652 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.263 -4.497 -3.136 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -4.298 -5.282 -4.212 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -3.234 -4.404 -3.131 1.00 64.41 H new ATOM 644 N ARG A 37 -7.383 -1.771 -3.332 1.00 33.23 N ATOM 645 CA ARG A 37 -8.510 -0.954 -2.915 1.00 73.24 C ATOM 646 C ARG A 37 -9.115 -1.502 -1.621 1.00 64.52 C ATOM 647 O ARG A 37 -9.263 -2.714 -1.466 1.00 12.04 O ATOM 648 CB ARG A 37 -9.591 -0.914 -3.997 1.00 51.13 C ATOM 649 CG ARG A 37 -10.290 -2.269 -4.125 1.00 1.41 C ATOM 650 CD ARG A 37 -10.788 -2.498 -5.554 1.00 24.11 C ATOM 651 NE ARG A 37 -11.949 -3.414 -5.545 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.834 -3.523 -6.559 1.00 70.24 C ATOM 653 NH1 ARG A 37 -12.696 -2.774 -7.673 1.00 72.20 N ATOM 654 NH2 ARG A 37 -13.837 -4.375 -6.444 1.00 44.03 N ATOM 0 H ARG A 37 -7.555 -2.348 -4.155 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.141 0.058 -2.747 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.324 -0.144 -3.755 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.144 -0.640 -4.953 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.601 -3.065 -3.845 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.130 -2.316 -3.432 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -11.068 -1.547 -6.007 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -9.988 -2.918 -6.164 1.00 24.11 H new ATOM 0 HE ARG A 37 -12.090 -4.000 -4.722 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -11.918 -2.119 -7.754 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -13.369 -2.863 -8.434 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -13.934 -4.938 -5.599 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -14.515 -4.470 -7.200 1.00 44.03 H new ATOM 667 N TYR A 38 -9.447 -0.585 -0.725 1.00 2.33 N ATOM 668 CA TYR A 38 -10.031 -0.962 0.551 1.00 20.32 C ATOM 669 C TYR A 38 -11.374 -1.666 0.352 1.00 54.11 C ATOM 670 O TYR A 38 -12.125 -1.331 -0.563 1.00 13.01 O ATOM 671 CB TYR A 38 -10.261 0.345 1.312 1.00 12.43 C ATOM 672 CG TYR A 38 -11.431 0.295 2.296 1.00 11.11 C ATOM 673 CD1 TYR A 38 -11.221 -0.114 3.598 1.00 12.43 C ATOM 674 CD2 TYR A 38 -12.697 0.658 1.884 1.00 42.23 C ATOM 675 CE1 TYR A 38 -12.322 -0.161 4.525 1.00 53.35 C ATOM 676 CE2 TYR A 38 -13.798 0.610 2.810 1.00 42.11 C ATOM 677 CZ TYR A 38 -13.557 0.202 4.084 1.00 23.24 C ATOM 678 OH TYR A 38 -14.597 0.157 4.959 1.00 23.44 O ATOM 0 H TYR A 38 -9.323 0.419 -0.857 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.374 -1.647 1.087 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.352 0.601 1.857 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -10.438 1.145 0.594 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -10.231 -0.399 3.921 1.00 12.43 H new ATOM 0 HD2 TYR A 38 -12.862 0.978 0.866 1.00 42.23 H new ATOM 0 HE1 TYR A 38 -12.171 -0.477 5.547 1.00 53.35 H new ATOM 0 HE2 TYR A 38 -14.793 0.892 2.499 1.00 42.11 H new ATOM 0 HH TYR A 38 -15.418 0.444 4.507 1.00 23.44 H new ATOM 688 N LYS A 39 -11.636 -2.628 1.224 1.00 73.55 N ATOM 689 CA LYS A 39 -12.877 -3.382 1.156 1.00 43.43 C ATOM 690 C LYS A 39 -14.061 -2.422 1.292 1.00 21.11 C ATOM 691 O LYS A 39 -14.430 -2.039 2.401 1.00 3.42 O ATOM 692 CB LYS A 39 -12.876 -4.509 2.191 1.00 73.41 C ATOM 693 CG LYS A 39 -11.749 -5.505 1.916 1.00 61.13 C ATOM 694 CD LYS A 39 -11.572 -6.471 3.090 1.00 10.22 C ATOM 695 CE LYS A 39 -12.927 -6.894 3.661 1.00 52.01 C ATOM 696 NZ LYS A 39 -12.768 -8.055 4.565 1.00 32.44 N ATOM 0 H LYS A 39 -11.011 -2.903 1.981 1.00 73.55 H new ATOM 0 HA LYS A 39 -12.973 -3.871 0.187 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -12.760 -4.090 3.190 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -13.835 -5.026 2.172 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.969 -6.067 1.008 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -10.818 -4.966 1.740 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -11.021 -7.352 2.761 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -10.977 -5.996 3.870 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -13.376 -6.062 4.203 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -13.607 -7.149 2.848 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -13.697 -8.330 4.944 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -12.360 -8.853 4.037 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -12.135 -7.800 5.350 1.00 32.44 H new ATOM 709 N GLY A 40 -14.623 -2.061 0.148 1.00 74.45 N ATOM 710 CA GLY A 40 -15.758 -1.154 0.125 1.00 3.24 C ATOM 711 C GLY A 40 -15.378 0.182 -0.517 1.00 12.21 C ATOM 712 O GLY A 40 -16.123 1.156 -0.417 1.00 40.33 O ATOM 0 H GLY A 40 -14.314 -2.380 -0.770 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.580 -1.608 -0.429 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.114 -0.985 1.141 1.00 3.24 H new ATOM 716 N GLU A 41 -14.221 0.184 -1.162 1.00 33.32 N ATOM 717 CA GLU A 41 -13.734 1.384 -1.821 1.00 32.55 C ATOM 718 C GLU A 41 -14.301 1.480 -3.238 1.00 20.11 C ATOM 719 O GLU A 41 -13.863 0.762 -4.136 1.00 31.05 O ATOM 720 CB GLU A 41 -12.204 1.418 -1.839 1.00 62.14 C ATOM 721 CG GLU A 41 -11.691 2.755 -2.374 1.00 52.41 C ATOM 722 CD GLU A 41 -12.519 3.919 -1.825 1.00 41.41 C ATOM 723 OE1 GLU A 41 -12.476 4.196 -0.618 1.00 62.12 O ATOM 724 OE2 GLU A 41 -13.224 4.548 -2.704 1.00 34.32 O ATOM 0 H GLU A 41 -13.607 -0.626 -1.242 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.077 2.250 -1.254 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -11.821 1.255 -0.832 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -11.826 0.605 -2.459 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -10.645 2.885 -2.096 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -11.734 2.755 -3.463 1.00 52.41 H new ATOM 732 N LYS A 42 -15.269 2.372 -3.395 1.00 64.40 N ATOM 733 CA LYS A 42 -15.901 2.570 -4.688 1.00 2.11 C ATOM 734 C LYS A 42 -15.530 3.954 -5.225 1.00 14.01 C ATOM 735 O LYS A 42 -15.476 4.160 -6.437 1.00 33.23 O ATOM 736 CB LYS A 42 -17.409 2.332 -4.589 1.00 13.31 C ATOM 737 CG LYS A 42 -18.096 3.473 -3.834 1.00 45.50 C ATOM 738 CD LYS A 42 -18.200 3.158 -2.341 1.00 43.25 C ATOM 739 CE LYS A 42 -19.520 3.671 -1.763 1.00 4.32 C ATOM 740 NZ LYS A 42 -20.496 2.566 -1.639 1.00 23.20 N ATOM 0 H LYS A 42 -15.630 2.965 -2.648 1.00 64.40 H new ATOM 0 HA LYS A 42 -15.533 1.839 -5.408 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -17.834 2.245 -5.589 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -17.599 1.387 -4.079 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -17.536 4.397 -3.976 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -19.092 3.638 -4.245 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -18.125 2.082 -2.187 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -17.365 3.615 -1.810 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -19.345 4.121 -0.786 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -19.926 4.452 -2.406 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -21.386 2.932 -1.245 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -20.676 2.155 -2.577 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -20.113 1.834 -1.007 1.00 23.20 H new ATOM 753 N GLN A 43 -15.285 4.868 -4.297 1.00 63.45 N ATOM 754 CA GLN A 43 -14.921 6.226 -4.661 1.00 43.21 C ATOM 755 C GLN A 43 -13.605 6.233 -5.442 1.00 65.15 C ATOM 756 O GLN A 43 -13.602 6.419 -6.658 1.00 23.23 O ATOM 757 CB GLN A 43 -14.828 7.121 -3.424 1.00 65.43 C ATOM 758 CG GLN A 43 -16.218 7.432 -2.866 1.00 61.32 C ATOM 759 CD GLN A 43 -16.151 8.538 -1.811 1.00 0.41 C ATOM 760 OE1 GLN A 43 -15.089 8.937 -1.361 1.00 34.35 O ATOM 761 NE2 GLN A 43 -17.339 9.010 -1.445 1.00 61.50 N ATOM 0 H GLN A 43 -15.332 4.694 -3.293 1.00 63.45 H new ATOM 0 HA GLN A 43 -15.704 6.630 -5.303 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -14.227 6.629 -2.659 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.319 8.050 -3.681 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -16.879 7.738 -3.677 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.647 6.531 -2.427 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -18.189 8.631 -1.862 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -17.400 9.751 -0.747 1.00 61.50 H new ATOM 770 N LEU A 44 -12.519 6.026 -4.711 1.00 70.13 N ATOM 771 CA LEU A 44 -11.200 6.005 -5.320 1.00 74.32 C ATOM 772 C LEU A 44 -11.186 4.984 -6.460 1.00 11.20 C ATOM 773 O LEU A 44 -11.922 4.000 -6.426 1.00 43.35 O ATOM 774 CB LEU A 44 -10.125 5.758 -4.261 1.00 23.41 C ATOM 775 CG LEU A 44 -9.837 6.924 -3.312 1.00 52.12 C ATOM 776 CD1 LEU A 44 -9.123 8.062 -4.044 1.00 50.33 C ATOM 777 CD2 LEU A 44 -11.118 7.399 -2.624 1.00 10.25 C ATOM 0 H LEU A 44 -12.526 5.871 -3.703 1.00 70.13 H new ATOM 0 HA LEU A 44 -10.967 6.976 -5.757 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.422 4.895 -3.665 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.198 5.491 -4.768 1.00 23.41 H new ATOM 0 HG LEU A 44 -9.164 6.572 -2.531 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -8.930 8.878 -3.348 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -8.178 7.698 -4.448 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.752 8.421 -4.859 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -10.886 8.228 -1.955 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -11.834 7.729 -3.376 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -11.548 6.579 -2.049 1.00 10.25 H new ATOM 789 N PRO A 45 -10.317 5.263 -7.470 1.00 31.11 N ATOM 790 CA PRO A 45 -10.197 4.381 -8.618 1.00 72.02 C ATOM 791 C PRO A 45 -9.424 3.111 -8.256 1.00 4.31 C ATOM 792 O PRO A 45 -8.988 2.949 -7.117 1.00 31.03 O ATOM 793 CB PRO A 45 -9.505 5.214 -9.684 1.00 14.10 C ATOM 794 CG PRO A 45 -8.849 6.371 -8.947 1.00 24.31 C ATOM 795 CD PRO A 45 -9.430 6.419 -7.544 1.00 12.34 C ATOM 0 HA PRO A 45 -11.162 4.023 -8.976 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -8.764 4.623 -10.222 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.220 5.576 -10.422 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -7.768 6.235 -8.908 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.034 7.310 -9.469 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -8.646 6.365 -6.789 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -9.975 7.348 -7.373 1.00 12.34 H new ATOM 803 N VAL A 46 -9.276 2.243 -9.246 1.00 55.41 N ATOM 804 CA VAL A 46 -8.563 0.994 -9.047 1.00 62.40 C ATOM 805 C VAL A 46 -7.071 1.218 -9.300 1.00 24.11 C ATOM 806 O VAL A 46 -6.330 0.267 -9.548 1.00 23.43 O ATOM 807 CB VAL A 46 -9.162 -0.098 -9.933 1.00 71.25 C ATOM 808 CG1 VAL A 46 -8.922 -1.486 -9.334 1.00 21.34 C ATOM 809 CG2 VAL A 46 -10.655 0.145 -10.171 1.00 2.32 C ATOM 0 H VAL A 46 -9.639 2.381 -10.189 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.671 0.653 -8.017 1.00 62.40 H new ATOM 0 HB VAL A 46 -8.657 -0.058 -10.898 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -9.359 -2.244 -9.985 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -7.850 -1.662 -9.241 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -9.386 -1.543 -8.349 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -11.056 -0.646 -10.804 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -11.180 0.147 -9.216 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -10.793 1.108 -10.663 1.00 2.32 H new ATOM 819 N LEU A 47 -6.673 2.480 -9.230 1.00 70.21 N ATOM 820 CA LEU A 47 -5.283 2.840 -9.448 1.00 52.54 C ATOM 821 C LEU A 47 -4.858 2.388 -10.847 1.00 0.41 C ATOM 822 O LEU A 47 -5.444 1.466 -11.411 1.00 44.05 O ATOM 823 CB LEU A 47 -4.402 2.283 -8.329 1.00 21.34 C ATOM 824 CG LEU A 47 -3.418 3.269 -7.695 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.186 3.460 -8.581 1.00 51.34 C ATOM 826 CD2 LEU A 47 -4.105 4.598 -7.375 1.00 2.31 C ATOM 0 H LEU A 47 -7.290 3.266 -9.025 1.00 70.21 H new ATOM 0 HA LEU A 47 -5.160 3.922 -9.409 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -5.050 1.892 -7.544 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.836 1.440 -8.725 1.00 21.34 H new ATOM 0 HG LEU A 47 -3.073 2.848 -6.750 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.503 4.165 -8.107 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.683 2.503 -8.716 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -2.493 3.849 -9.552 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -3.384 5.281 -6.925 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.496 5.036 -8.293 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.925 4.425 -6.678 1.00 2.31 H new ATOM 838 N ASP A 48 -3.841 3.060 -11.368 1.00 34.23 N ATOM 839 CA ASP A 48 -3.331 2.741 -12.690 1.00 65.12 C ATOM 840 C ASP A 48 -2.510 1.452 -12.616 1.00 61.25 C ATOM 841 O ASP A 48 -2.100 0.912 -13.643 1.00 1.55 O ATOM 842 CB ASP A 48 -2.419 3.852 -13.213 1.00 32.20 C ATOM 843 CG ASP A 48 -3.144 5.029 -13.868 1.00 54.14 C ATOM 844 OD1 ASP A 48 -4.031 5.650 -13.263 1.00 11.32 O ATOM 845 OD2 ASP A 48 -2.762 5.304 -15.069 1.00 33.14 O ATOM 0 H ASP A 48 -3.357 3.824 -10.897 1.00 34.23 H new ATOM 0 HA ASP A 48 -4.182 2.628 -13.361 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -1.820 4.230 -12.385 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -1.727 3.422 -13.937 1.00 32.20 H new ATOM 851 N LYS A 49 -2.294 0.994 -11.392 1.00 34.30 N ATOM 852 CA LYS A 49 -1.529 -0.222 -11.171 1.00 13.11 C ATOM 853 C LYS A 49 -1.653 -0.637 -9.703 1.00 55.44 C ATOM 854 O LYS A 49 -1.992 0.181 -8.849 1.00 64.03 O ATOM 855 CB LYS A 49 -0.084 -0.038 -11.638 1.00 53.23 C ATOM 856 CG LYS A 49 0.600 1.096 -10.873 1.00 52.12 C ATOM 857 CD LYS A 49 0.530 2.407 -11.658 1.00 15.23 C ATOM 858 CE LYS A 49 1.314 2.305 -12.967 1.00 51.44 C ATOM 859 NZ LYS A 49 0.535 2.888 -14.084 1.00 4.25 N ATOM 0 H LYS A 49 -2.635 1.443 -10.542 1.00 34.30 H new ATOM 0 HA LYS A 49 -1.931 -1.040 -11.769 1.00 13.11 H new ATOM 0 HB2 LYS A 49 0.470 -0.965 -11.492 1.00 53.23 H new ATOM 0 HB3 LYS A 49 -0.068 0.178 -12.706 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.123 1.224 -9.901 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.642 0.836 -10.685 1.00 52.12 H new ATOM 0 HD2 LYS A 49 -0.510 2.652 -11.871 1.00 15.23 H new ATOM 0 HD3 LYS A 49 0.931 3.220 -11.052 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.266 2.826 -12.869 1.00 51.44 H new ATOM 0 HE3 LYS A 49 1.542 1.261 -13.181 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 1.150 2.998 -14.916 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 -0.258 2.258 -14.320 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 0.166 3.818 -13.801 1.00 4.25 H new ATOM 872 N THR A 50 -1.371 -1.907 -9.456 1.00 62.40 N ATOM 873 CA THR A 50 -1.447 -2.442 -8.106 1.00 12.42 C ATOM 874 C THR A 50 -0.042 -2.653 -7.537 1.00 13.32 C ATOM 875 O THR A 50 0.151 -2.621 -6.323 1.00 13.53 O ATOM 876 CB THR A 50 -2.284 -3.721 -8.150 1.00 64.23 C ATOM 877 OG1 THR A 50 -3.343 -3.412 -9.051 1.00 33.22 O ATOM 878 CG2 THR A 50 -2.993 -4.003 -6.824 1.00 4.14 C ATOM 0 H THR A 50 -1.089 -2.582 -10.167 1.00 62.40 H new ATOM 0 HA THR A 50 -1.936 -1.741 -7.429 1.00 12.42 H new ATOM 0 HB THR A 50 -1.643 -4.565 -8.405 1.00 64.23 H new ATOM 0 HG1 THR A 50 -3.934 -4.189 -9.140 1.00 33.22 H new ATOM 0 HG21 THR A 50 -3.573 -4.922 -6.910 1.00 4.14 H new ATOM 0 HG22 THR A 50 -2.253 -4.114 -6.032 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.659 -3.174 -6.584 1.00 4.14 H new ATOM 886 N LYS A 51 0.902 -2.865 -8.442 1.00 63.11 N ATOM 887 CA LYS A 51 2.283 -3.082 -8.046 1.00 2.24 C ATOM 888 C LYS A 51 3.030 -1.747 -8.064 1.00 2.53 C ATOM 889 O LYS A 51 2.851 -0.943 -8.978 1.00 22.21 O ATOM 890 CB LYS A 51 2.928 -4.159 -8.920 1.00 62.34 C ATOM 891 CG LYS A 51 2.202 -5.497 -8.766 1.00 12.21 C ATOM 892 CD LYS A 51 3.178 -6.669 -8.890 1.00 14.34 C ATOM 893 CE LYS A 51 3.166 -7.246 -10.306 1.00 70.11 C ATOM 894 NZ LYS A 51 1.784 -7.577 -10.720 1.00 74.50 N ATOM 0 H LYS A 51 0.738 -2.891 -9.448 1.00 63.11 H new ATOM 0 HA LYS A 51 2.331 -3.461 -7.025 1.00 2.24 H new ATOM 0 HB2 LYS A 51 2.905 -3.847 -9.964 1.00 62.34 H new ATOM 0 HB3 LYS A 51 3.976 -4.276 -8.645 1.00 62.34 H new ATOM 0 HG2 LYS A 51 1.704 -5.535 -7.797 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.426 -5.583 -9.527 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.185 -6.336 -8.638 1.00 14.34 H new ATOM 0 HD3 LYS A 51 2.911 -7.447 -8.175 1.00 14.34 H new ATOM 0 HE2 LYS A 51 3.598 -6.526 -11.002 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.788 -8.140 -10.346 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 1.795 -8.429 -11.317 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 1.202 -7.752 -9.876 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 1.383 -6.783 -11.258 1.00 74.50 H new ATOM 907 N PHE A 52 3.852 -1.551 -7.043 1.00 55.52 N ATOM 908 CA PHE A 52 4.627 -0.328 -6.930 1.00 12.53 C ATOM 909 C PHE A 52 6.044 -0.619 -6.433 1.00 23.41 C ATOM 910 O PHE A 52 6.254 -1.556 -5.663 1.00 20.35 O ATOM 911 CB PHE A 52 3.913 0.562 -5.910 1.00 64.54 C ATOM 912 CG PHE A 52 2.467 0.898 -6.280 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.513 -0.070 -6.241 1.00 50.44 C ATOM 914 CD2 PHE A 52 2.138 2.164 -6.649 1.00 55.41 C ATOM 915 CE1 PHE A 52 0.170 0.242 -6.586 1.00 5.33 C ATOM 916 CE2 PHE A 52 0.796 2.477 -6.993 1.00 50.35 C ATOM 917 CZ PHE A 52 -0.159 1.509 -6.955 1.00 13.42 C ATOM 0 H PHE A 52 3.998 -2.219 -6.286 1.00 55.52 H new ATOM 0 HA PHE A 52 4.706 0.153 -7.905 1.00 12.53 H new ATOM 0 HB2 PHE A 52 3.923 0.065 -4.940 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.473 1.490 -5.798 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.776 -1.076 -5.948 1.00 50.44 H new ATOM 0 HD2 PHE A 52 2.897 2.932 -6.681 1.00 55.41 H new ATOM 0 HE1 PHE A 52 -0.588 -0.526 -6.555 1.00 5.33 H new ATOM 0 HE2 PHE A 52 0.534 3.483 -7.285 1.00 50.35 H new ATOM 0 HZ PHE A 52 -1.179 1.747 -7.218 1.00 13.42 H new ATOM 927 N LEU A 53 6.979 0.199 -6.892 1.00 0.05 N ATOM 928 CA LEU A 53 8.370 0.040 -6.502 1.00 15.10 C ATOM 929 C LEU A 53 8.840 1.304 -5.778 1.00 53.33 C ATOM 930 O LEU A 53 9.090 2.329 -6.410 1.00 23.21 O ATOM 931 CB LEU A 53 9.226 -0.328 -7.715 1.00 22.22 C ATOM 932 CG LEU A 53 9.212 -1.802 -8.124 1.00 23.31 C ATOM 933 CD1 LEU A 53 9.957 -2.013 -9.443 1.00 34.22 C ATOM 934 CD2 LEU A 53 9.767 -2.686 -7.004 1.00 70.04 C ATOM 0 H LEU A 53 6.801 0.974 -7.531 1.00 0.05 H new ATOM 0 HA LEU A 53 8.478 -0.788 -5.801 1.00 15.10 H new ATOM 0 HB2 LEU A 53 8.892 0.267 -8.565 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.256 -0.039 -7.509 1.00 22.22 H new ATOM 0 HG LEU A 53 8.177 -2.101 -8.289 1.00 23.31 H new ATOM 0 HD11 LEU A 53 9.932 -3.069 -9.710 1.00 34.22 H new ATOM 0 HD12 LEU A 53 9.478 -1.428 -10.229 1.00 34.22 H new ATOM 0 HD13 LEU A 53 10.993 -1.692 -9.331 1.00 34.22 H new ATOM 0 HD21 LEU A 53 9.746 -3.729 -7.320 1.00 70.04 H new ATOM 0 HD22 LEU A 53 10.794 -2.394 -6.785 1.00 70.04 H new ATOM 0 HD23 LEU A 53 9.157 -2.566 -6.109 1.00 70.04 H new ATOM 946 N VAL A 54 8.945 1.188 -4.463 1.00 12.25 N ATOM 947 CA VAL A 54 9.380 2.309 -3.645 1.00 54.11 C ATOM 948 C VAL A 54 10.898 2.245 -3.467 1.00 53.14 C ATOM 949 O VAL A 54 11.464 1.163 -3.321 1.00 2.34 O ATOM 950 CB VAL A 54 8.622 2.314 -2.316 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.633 3.706 -1.683 1.00 52.41 C ATOM 952 CG2 VAL A 54 7.190 1.806 -2.501 1.00 33.12 C ATOM 0 H VAL A 54 8.737 0.336 -3.943 1.00 12.25 H new ATOM 0 HA VAL A 54 9.149 3.253 -4.138 1.00 54.11 H new ATOM 0 HB VAL A 54 9.134 1.634 -1.635 1.00 50.23 H new ATOM 0 HG11 VAL A 54 8.087 3.681 -0.740 1.00 52.41 H new ATOM 0 HG12 VAL A 54 9.662 4.014 -1.499 1.00 52.41 H new ATOM 0 HG13 VAL A 54 8.157 4.417 -2.359 1.00 52.41 H new ATOM 0 HG21 VAL A 54 6.672 1.819 -1.542 1.00 33.12 H new ATOM 0 HG22 VAL A 54 6.664 2.449 -3.206 1.00 33.12 H new ATOM 0 HG23 VAL A 54 7.212 0.787 -2.887 1.00 33.12 H new ATOM 962 N PRO A 55 11.530 3.449 -3.486 1.00 45.33 N ATOM 963 CA PRO A 55 12.972 3.540 -3.329 1.00 0.21 C ATOM 964 C PRO A 55 13.380 3.310 -1.872 1.00 50.22 C ATOM 965 O PRO A 55 12.752 3.839 -0.957 1.00 54.10 O ATOM 966 CB PRO A 55 13.336 4.926 -3.836 1.00 72.21 C ATOM 967 CG PRO A 55 12.044 5.728 -3.824 1.00 64.33 C ATOM 968 CD PRO A 55 10.891 4.751 -3.658 1.00 22.13 C ATOM 0 HA PRO A 55 13.506 2.773 -3.890 1.00 0.21 H new ATOM 0 HB2 PRO A 55 14.089 5.389 -3.199 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.755 4.876 -4.841 1.00 72.21 H new ATOM 0 HG2 PRO A 55 12.051 6.452 -3.009 1.00 64.33 H new ATOM 0 HG3 PRO A 55 11.936 6.292 -4.750 1.00 64.33 H new ATOM 0 HD2 PRO A 55 10.276 5.007 -2.795 1.00 22.13 H new ATOM 0 HD3 PRO A 55 10.237 4.759 -4.530 1.00 22.13 H new ATOM 976 N ASP A 56 14.430 2.520 -1.703 1.00 15.23 N ATOM 977 CA ASP A 56 14.929 2.214 -0.374 1.00 24.22 C ATOM 978 C ASP A 56 15.863 3.334 0.087 1.00 33.22 C ATOM 979 O ASP A 56 16.977 3.073 0.537 1.00 24.04 O ATOM 980 CB ASP A 56 15.723 0.905 -0.371 1.00 14.44 C ATOM 981 CG ASP A 56 17.129 1.003 -0.967 1.00 63.42 C ATOM 982 OD1 ASP A 56 18.136 0.895 -0.250 1.00 73.21 O ATOM 983 OD2 ASP A 56 17.169 1.199 -2.241 1.00 53.21 O ATOM 0 H ASP A 56 14.949 2.083 -2.465 1.00 15.23 H new ATOM 0 HA ASP A 56 14.072 2.118 0.293 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.803 0.548 0.656 1.00 14.44 H new ATOM 0 HB3 ASP A 56 15.160 0.154 -0.926 1.00 14.44 H new ATOM 989 N HIS A 57 15.374 4.559 -0.042 1.00 42.54 N ATOM 990 CA HIS A 57 16.151 5.721 0.354 1.00 33.12 C ATOM 991 C HIS A 57 15.209 6.884 0.672 1.00 34.15 C ATOM 992 O HIS A 57 15.589 8.048 0.545 1.00 74.42 O ATOM 993 CB HIS A 57 17.187 6.073 -0.715 1.00 42.14 C ATOM 994 CG HIS A 57 16.601 6.305 -2.087 1.00 61.13 C ATOM 995 ND1 HIS A 57 15.793 7.389 -2.383 1.00 2.30 N ATOM 996 CD2 HIS A 57 16.712 5.582 -3.238 1.00 44.01 C ATOM 997 CE1 HIS A 57 15.441 7.312 -3.657 1.00 52.24 C ATOM 998 NE2 HIS A 57 16.011 6.191 -4.186 1.00 2.34 N ATOM 0 H HIS A 57 14.449 4.772 -0.415 1.00 42.54 H new ATOM 0 HA HIS A 57 16.713 5.495 1.260 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.724 6.969 -0.404 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.919 5.268 -0.776 1.00 42.14 H new ATOM 0 HD2 HIS A 57 17.275 4.668 -3.358 1.00 44.01 H new ATOM 0 HE1 HIS A 57 14.813 8.014 -4.185 1.00 52.24 H new ATOM 0 HE2 HIS A 57 15.914 5.874 -5.151 1.00 2.34 H new ATOM 1006 N VAL A 58 13.999 6.529 1.079 1.00 51.30 N ATOM 1007 CA VAL A 58 13.000 7.529 1.415 1.00 21.42 C ATOM 1008 C VAL A 58 12.177 7.040 2.609 1.00 52.34 C ATOM 1009 O VAL A 58 12.613 6.159 3.349 1.00 3.12 O ATOM 1010 CB VAL A 58 12.143 7.847 0.189 1.00 42.54 C ATOM 1011 CG1 VAL A 58 13.016 8.249 -1.002 1.00 63.40 C ATOM 1012 CG2 VAL A 58 11.239 6.665 -0.169 1.00 52.14 C ATOM 0 H VAL A 58 13.688 5.563 1.184 1.00 51.30 H new ATOM 0 HA VAL A 58 13.479 8.463 1.710 1.00 21.42 H new ATOM 0 HB VAL A 58 11.505 8.695 0.438 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.381 8.470 -1.860 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.598 9.134 -0.744 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.691 7.430 -1.251 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.640 6.917 -1.044 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.852 5.791 -0.389 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.580 6.444 0.670 1.00 52.14 H new ATOM 1022 N ASN A 59 11.001 7.632 2.759 1.00 3.10 N ATOM 1023 CA ASN A 59 10.114 7.267 3.851 1.00 53.34 C ATOM 1024 C ASN A 59 8.775 6.799 3.277 1.00 32.55 C ATOM 1025 O ASN A 59 8.431 7.129 2.144 1.00 53.32 O ATOM 1026 CB ASN A 59 9.845 8.464 4.764 1.00 31.55 C ATOM 1027 CG ASN A 59 10.066 9.783 4.021 1.00 54.00 C ATOM 1028 OD1 ASN A 59 9.445 9.852 2.847 1.00 22.23 O flip ATOM 1029 ND2 ASN A 59 10.754 10.678 4.483 1.00 14.31 N flip ATOM 0 H ASN A 59 10.642 8.361 2.143 1.00 3.10 H new ATOM 0 HA ASN A 59 10.593 6.475 4.427 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.821 8.419 5.136 1.00 31.55 H new ATOM 0 HB3 ASN A 59 10.502 8.418 5.633 1.00 31.55 H new ATOM 0 HD21 ASN A 59 11.203 10.559 5.391 1.00 14.31 H new ATOM 0 HD22 ASN A 59 10.880 11.545 3.961 1.00 14.31 H new ATOM 1036 N MET A 60 8.055 6.037 4.088 1.00 53.42 N ATOM 1037 CA MET A 60 6.761 5.521 3.676 1.00 63.50 C ATOM 1038 C MET A 60 5.839 6.653 3.219 1.00 72.03 C ATOM 1039 O MET A 60 4.885 6.420 2.477 1.00 33.53 O ATOM 1040 CB MET A 60 6.114 4.775 4.845 1.00 54.13 C ATOM 1041 CG MET A 60 5.367 5.742 5.766 1.00 71.53 C ATOM 1042 SD MET A 60 3.694 5.969 5.188 1.00 50.24 S ATOM 1043 CE MET A 60 3.144 4.271 5.156 1.00 24.12 C ATOM 0 H MET A 60 8.343 5.765 5.028 1.00 53.42 H new ATOM 0 HA MET A 60 6.912 4.841 2.838 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.423 4.023 4.464 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.880 4.246 5.412 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.359 5.354 6.784 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.884 6.701 5.795 1.00 71.53 H new ATOM 0 HE1 MET A 60 2.078 4.229 5.380 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.323 3.849 4.167 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.694 3.696 5.901 1.00 24.12 H new ATOM 1053 N SER A 61 6.155 7.853 3.680 1.00 31.15 N ATOM 1054 CA SER A 61 5.367 9.022 3.327 1.00 60.52 C ATOM 1055 C SER A 61 5.427 9.258 1.817 1.00 5.42 C ATOM 1056 O SER A 61 4.483 9.783 1.229 1.00 42.35 O ATOM 1057 CB SER A 61 5.854 10.262 4.078 1.00 24.14 C ATOM 1058 OG SER A 61 5.960 11.397 3.223 1.00 33.42 O ATOM 0 H SER A 61 6.946 8.042 4.295 1.00 31.15 H new ATOM 0 HA SER A 61 4.333 8.837 3.618 1.00 60.52 H new ATOM 0 HB2 SER A 61 5.166 10.485 4.893 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.825 10.055 4.528 1.00 24.14 H new ATOM 0 HG SER A 61 6.272 12.168 3.741 1.00 33.42 H new ATOM 1064 N GLU A 62 6.547 8.859 1.233 1.00 43.34 N ATOM 1065 CA GLU A 62 6.744 9.021 -0.198 1.00 62.30 C ATOM 1066 C GLU A 62 5.655 8.275 -0.971 1.00 2.22 C ATOM 1067 O GLU A 62 4.889 8.884 -1.716 1.00 1.22 O ATOM 1068 CB GLU A 62 8.137 8.546 -0.617 1.00 23.32 C ATOM 1069 CG GLU A 62 9.148 9.693 -0.559 1.00 33.21 C ATOM 1070 CD GLU A 62 8.675 10.884 -1.395 1.00 21.13 C ATOM 1071 OE1 GLU A 62 8.110 10.693 -2.483 1.00 65.32 O ATOM 1072 OE2 GLU A 62 8.910 12.042 -0.878 1.00 22.24 O ATOM 0 H GLU A 62 7.328 8.424 1.724 1.00 43.34 H new ATOM 0 HA GLU A 62 6.671 10.082 -0.437 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.461 7.737 0.038 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.098 8.141 -1.628 1.00 23.32 H new ATOM 0 HG2 GLU A 62 9.291 10.004 0.476 1.00 33.21 H new ATOM 0 HG3 GLU A 62 10.115 9.349 -0.925 1.00 33.21 H new ATOM 1080 N LEU A 63 5.621 6.966 -0.767 1.00 75.35 N ATOM 1081 CA LEU A 63 4.637 6.131 -1.436 1.00 71.31 C ATOM 1082 C LEU A 63 3.269 6.811 -1.374 1.00 34.30 C ATOM 1083 O LEU A 63 2.435 6.618 -2.257 1.00 74.31 O ATOM 1084 CB LEU A 63 4.648 4.717 -0.849 1.00 53.52 C ATOM 1085 CG LEU A 63 3.315 3.966 -0.886 1.00 3.21 C ATOM 1086 CD1 LEU A 63 2.844 3.755 -2.326 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.408 2.648 -0.115 1.00 23.34 C ATOM 0 H LEU A 63 6.258 6.464 -0.149 1.00 75.35 H new ATOM 0 HA LEU A 63 4.888 6.017 -2.491 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.390 4.127 -1.387 1.00 53.52 H new ATOM 0 HB3 LEU A 63 4.980 4.778 0.188 1.00 53.52 H new ATOM 0 HG LEU A 63 2.563 4.579 -0.388 1.00 3.21 H new ATOM 0 HD11 LEU A 63 1.895 3.219 -2.324 1.00 21.14 H new ATOM 0 HD12 LEU A 63 2.713 4.722 -2.812 1.00 21.14 H new ATOM 0 HD13 LEU A 63 3.588 3.173 -2.871 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.448 2.134 -0.157 1.00 23.34 H new ATOM 0 HD22 LEU A 63 4.177 2.018 -0.563 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.666 2.852 0.924 1.00 23.34 H new ATOM 1099 N ILE A 64 3.079 7.594 -0.322 1.00 23.04 N ATOM 1100 CA ILE A 64 1.826 8.305 -0.133 1.00 61.52 C ATOM 1101 C ILE A 64 1.751 9.469 -1.123 1.00 62.30 C ATOM 1102 O ILE A 64 0.791 9.580 -1.884 1.00 14.00 O ATOM 1103 CB ILE A 64 1.665 8.729 1.328 1.00 21.21 C ATOM 1104 CG1 ILE A 64 2.053 7.591 2.275 1.00 50.20 C ATOM 1105 CG2 ILE A 64 0.249 9.242 1.597 1.00 30.13 C ATOM 1106 CD1 ILE A 64 0.842 6.716 2.606 1.00 54.44 C ATOM 0 H ILE A 64 3.773 7.752 0.409 1.00 23.04 H new ATOM 0 HA ILE A 64 0.981 7.650 -0.345 1.00 61.52 H new ATOM 0 HB ILE A 64 2.349 9.556 1.522 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.832 6.982 1.817 1.00 50.20 H new ATOM 0 HG13 ILE A 64 2.470 8.004 3.194 1.00 50.20 H new ATOM 0 HG21 ILE A 64 0.161 9.537 2.643 1.00 30.13 H new ATOM 0 HG22 ILE A 64 0.046 10.102 0.959 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.471 8.453 1.381 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.145 5.915 3.280 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.075 7.323 3.086 1.00 54.44 H new ATOM 0 HD13 ILE A 64 0.442 6.285 1.688 1.00 54.44 H new ATOM 1118 N LYS A 65 2.776 10.307 -1.081 1.00 65.21 N ATOM 1119 CA LYS A 65 2.838 11.458 -1.964 1.00 4.50 C ATOM 1120 C LYS A 65 2.782 10.984 -3.418 1.00 41.42 C ATOM 1121 O LYS A 65 2.347 11.724 -4.300 1.00 64.31 O ATOM 1122 CB LYS A 65 4.066 12.314 -1.644 1.00 50.41 C ATOM 1123 CG LYS A 65 4.074 12.731 -0.172 1.00 31.50 C ATOM 1124 CD LYS A 65 5.488 13.094 0.287 1.00 14.42 C ATOM 1125 CE LYS A 65 5.448 13.990 1.528 1.00 43.24 C ATOM 1126 NZ LYS A 65 6.777 14.594 1.772 1.00 21.21 N ATOM 0 H LYS A 65 3.571 10.211 -0.449 1.00 65.21 H new ATOM 0 HA LYS A 65 1.976 12.106 -1.805 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.973 11.755 -1.872 1.00 50.41 H new ATOM 0 HB3 LYS A 65 4.071 13.201 -2.277 1.00 50.41 H new ATOM 0 HG2 LYS A 65 3.411 13.584 -0.028 1.00 31.50 H new ATOM 0 HG3 LYS A 65 3.686 11.918 0.442 1.00 31.50 H new ATOM 0 HD2 LYS A 65 6.047 12.185 0.508 1.00 14.42 H new ATOM 0 HD3 LYS A 65 6.016 13.605 -0.518 1.00 14.42 H new ATOM 0 HE2 LYS A 65 4.704 14.775 1.394 1.00 43.24 H new ATOM 0 HE3 LYS A 65 5.142 13.406 2.396 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 6.734 15.199 2.617 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 7.479 13.841 1.921 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 7.054 15.167 0.950 1.00 21.21 H new ATOM 1139 N ILE A 66 3.229 9.754 -3.623 1.00 54.04 N ATOM 1140 CA ILE A 66 3.234 9.171 -4.955 1.00 32.11 C ATOM 1141 C ILE A 66 1.818 8.717 -5.314 1.00 63.23 C ATOM 1142 O ILE A 66 1.238 9.191 -6.289 1.00 3.21 O ATOM 1143 CB ILE A 66 4.281 8.059 -5.049 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.647 8.548 -4.563 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.348 7.487 -6.466 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.457 9.143 -5.715 1.00 42.45 C ATOM 0 H ILE A 66 3.590 9.144 -2.889 1.00 54.04 H new ATOM 0 HA ILE A 66 3.527 9.915 -5.696 1.00 32.11 H new ATOM 0 HB ILE A 66 3.976 7.247 -4.388 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.513 9.297 -3.783 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.197 7.719 -4.117 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.100 6.699 -6.505 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.376 7.075 -6.739 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.616 8.279 -7.166 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.423 9.483 -5.343 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.610 8.384 -6.482 1.00 42.45 H new ATOM 0 HD13 ILE A 66 5.916 9.987 -6.143 1.00 42.45 H new ATOM 1158 N ILE A 67 1.303 7.801 -4.507 1.00 34.24 N ATOM 1159 CA ILE A 67 -0.034 7.276 -4.727 1.00 32.34 C ATOM 1160 C ILE A 67 -0.979 8.430 -5.071 1.00 73.40 C ATOM 1161 O ILE A 67 -1.552 8.463 -6.159 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.490 6.447 -3.524 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.211 5.087 -3.501 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -2.013 6.308 -3.499 1.00 30.32 C ATOM 1165 CD1 ILE A 67 -0.176 4.250 -4.722 1.00 74.11 C ATOM 0 H ILE A 67 1.788 7.409 -3.700 1.00 34.24 H new ATOM 0 HA ILE A 67 -0.040 6.593 -5.576 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.201 6.975 -2.615 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.291 5.231 -3.482 1.00 52.04 H new ATOM 0 HG13 ILE A 67 -0.055 4.552 -2.590 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.310 5.715 -2.634 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.468 7.297 -3.434 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.348 5.814 -4.411 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.336 3.289 -4.681 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -1.254 4.087 -4.725 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.114 4.777 -5.631 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.114 9.346 -4.123 1.00 44.40 N ATOM 1178 CA ARG A 68 -1.979 10.497 -4.313 1.00 13.42 C ATOM 1179 C ARG A 68 -1.666 11.183 -5.644 1.00 51.22 C ATOM 1180 O ARG A 68 -2.575 11.611 -6.355 1.00 0.23 O ATOM 1181 CB ARG A 68 -1.812 11.505 -3.175 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.408 12.115 -3.186 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.210 13.055 -1.995 1.00 24.23 C ATOM 1184 NE ARG A 68 0.850 14.042 -2.299 1.00 63.13 N ATOM 1185 CZ ARG A 68 1.489 14.779 -1.366 1.00 75.11 C ATOM 1186 NH1 ARG A 68 1.180 14.647 -0.059 1.00 73.42 N ATOM 1187 NH2 ARG A 68 2.420 15.632 -1.751 1.00 64.55 N ATOM 0 H ARG A 68 -0.639 9.314 -3.221 1.00 44.40 H new ATOM 0 HA ARG A 68 -3.009 10.140 -4.318 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.557 12.295 -3.272 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -1.991 11.013 -2.219 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.338 11.321 -3.155 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.253 12.662 -4.116 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -1.144 13.570 -1.769 1.00 24.23 H new ATOM 0 HD3 ARG A 68 0.060 12.481 -1.109 1.00 24.23 H new ATOM 0 HE ARG A 68 1.114 14.174 -3.275 1.00 63.13 H new ATOM 0 HH11 ARG A 68 0.459 13.986 0.230 1.00 73.42 H new ATOM 0 HH12 ARG A 68 1.668 15.208 0.640 1.00 73.42 H new ATOM 0 HH21 ARG A 68 2.647 15.727 -2.741 1.00 64.55 H new ATOM 0 HH22 ARG A 68 2.912 16.196 -1.059 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.378 11.267 -5.941 1.00 52.40 N ATOM 1201 CA ARG A 69 0.066 11.895 -7.174 1.00 45.24 C ATOM 1202 C ARG A 69 -0.381 11.067 -8.382 1.00 0.14 C ATOM 1203 O ARG A 69 -0.642 11.615 -9.452 1.00 4.20 O ATOM 1204 CB ARG A 69 1.589 12.041 -7.201 1.00 70.32 C ATOM 1205 CG ARG A 69 2.019 13.399 -6.644 1.00 44.21 C ATOM 1206 CD ARG A 69 2.158 14.431 -7.765 1.00 0.22 C ATOM 1207 NE ARG A 69 2.088 15.799 -7.205 1.00 10.40 N ATOM 1208 CZ ARG A 69 1.738 16.892 -7.916 1.00 73.23 C ATOM 1209 NH1 ARG A 69 1.421 16.785 -9.224 1.00 43.44 N ATOM 1210 NH2 ARG A 69 1.709 18.065 -7.314 1.00 11.44 N ATOM 0 H ARG A 69 0.373 10.911 -5.349 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.384 12.887 -7.221 1.00 45.24 H new ATOM 0 HB2 ARG A 69 2.045 11.243 -6.615 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.950 11.932 -8.224 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.287 13.745 -5.914 1.00 44.21 H new ATOM 0 HG3 ARG A 69 2.969 13.297 -6.119 1.00 44.21 H new ATOM 0 HD2 ARG A 69 3.106 14.290 -8.285 1.00 0.22 H new ATOM 0 HD3 ARG A 69 1.367 14.289 -8.501 1.00 0.22 H new ATOM 0 HE ARG A 69 2.319 15.924 -6.219 1.00 10.40 H new ATOM 0 HH11 ARG A 69 1.445 15.874 -9.682 1.00 43.44 H new ATOM 0 HH12 ARG A 69 1.158 17.615 -9.754 1.00 43.44 H new ATOM 0 HH21 ARG A 69 1.949 18.137 -6.325 1.00 11.44 H new ATOM 0 HH22 ARG A 69 1.447 18.900 -7.837 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.455 9.762 -8.169 1.00 44.14 N ATOM 1224 CA ARG A 70 -0.865 8.852 -9.226 1.00 12.55 C ATOM 1225 C ARG A 70 -2.364 9.000 -9.501 1.00 23.22 C ATOM 1226 O ARG A 70 -2.806 8.865 -10.640 1.00 5.20 O ATOM 1227 CB ARG A 70 -0.563 7.401 -8.854 1.00 25.13 C ATOM 1228 CG ARG A 70 0.899 7.236 -8.429 1.00 50.40 C ATOM 1229 CD ARG A 70 1.620 6.230 -9.328 1.00 24.25 C ATOM 1230 NE ARG A 70 2.673 6.914 -10.111 1.00 54.32 N ATOM 1231 CZ ARG A 70 3.619 6.274 -10.830 1.00 71.15 C ATOM 1232 NH1 ARG A 70 3.652 4.924 -10.870 1.00 51.00 N ATOM 1233 NH2 ARG A 70 4.511 6.986 -11.493 1.00 40.12 N ATOM 0 H ARG A 70 -0.238 9.312 -7.280 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.300 9.109 -10.122 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -1.219 7.086 -8.043 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -0.774 6.752 -9.704 1.00 25.13 H new ATOM 0 HG2 ARG A 70 1.406 8.200 -8.476 1.00 50.40 H new ATOM 0 HG3 ARG A 70 0.945 6.901 -7.393 1.00 50.40 H new ATOM 0 HD2 ARG A 70 2.062 5.440 -8.721 1.00 24.25 H new ATOM 0 HD3 ARG A 70 0.906 5.754 -10.001 1.00 24.25 H new ATOM 0 HE ARG A 70 2.685 7.934 -10.107 1.00 54.32 H new ATOM 0 HH11 ARG A 70 2.959 4.381 -10.355 1.00 51.00 H new ATOM 0 HH12 ARG A 70 4.370 4.447 -11.416 1.00 51.00 H new ATOM 0 HH21 ARG A 70 4.479 8.005 -11.457 1.00 40.12 H new ATOM 0 HH22 ARG A 70 5.232 6.517 -12.041 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.103 9.275 -8.436 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.542 9.442 -8.548 1.00 61.25 C ATOM 1248 C LEU A 71 -4.852 10.862 -9.025 1.00 45.53 C ATOM 1249 O LEU A 71 -5.942 11.129 -9.527 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.228 9.073 -7.231 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.017 7.638 -6.744 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -4.783 7.601 -5.232 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.182 6.739 -7.166 1.00 31.15 C ATOM 0 H LEU A 71 -2.732 9.386 -7.492 1.00 54.34 H new ATOM 0 HA LEU A 71 -4.947 8.759 -9.295 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.874 9.754 -6.457 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.299 9.244 -7.342 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.118 7.245 -7.219 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -4.636 6.570 -4.912 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -3.897 8.187 -4.986 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -5.649 8.020 -4.719 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.007 5.725 -6.807 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.109 7.120 -6.738 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -6.260 6.731 -8.253 1.00 31.15 H new ATOM 1265 N GLN A 72 -3.871 11.736 -8.852 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.024 13.123 -9.259 1.00 2.32 C ATOM 1267 C GLN A 72 -5.430 13.623 -8.920 1.00 41.52 C ATOM 1268 O GLN A 72 -6.074 14.276 -9.741 1.00 73.52 O ATOM 1269 CB GLN A 72 -3.726 13.294 -10.750 1.00 45.04 C ATOM 1270 CG GLN A 72 -4.249 12.100 -11.553 1.00 10.21 C ATOM 1271 CD GLN A 72 -3.900 12.243 -13.036 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -3.853 13.330 -13.587 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -3.659 11.087 -13.649 1.00 53.14 N ATOM 0 H GLN A 72 -2.967 11.511 -8.436 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.302 13.725 -8.707 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.187 14.212 -11.114 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -2.651 13.396 -10.901 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -3.820 11.178 -11.162 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -5.330 12.023 -11.436 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -3.716 10.212 -13.128 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -3.418 11.076 -14.640 1.00 53.14 H new ATOM 1282 N LEU A 73 -5.864 13.299 -7.712 1.00 45.22 N ATOM 1283 CA LEU A 73 -7.181 13.707 -7.255 1.00 53.22 C ATOM 1284 C LEU A 73 -7.149 15.188 -6.877 1.00 1.12 C ATOM 1285 O LEU A 73 -6.096 15.823 -6.927 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.663 12.794 -6.125 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.390 11.300 -6.308 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -7.025 10.643 -4.975 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.574 10.605 -6.983 1.00 40.04 C ATOM 0 H LEU A 73 -5.326 12.758 -7.035 1.00 45.22 H new ATOM 0 HA LEU A 73 -7.912 13.598 -8.056 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -7.192 13.118 -5.197 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.737 12.935 -6.004 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.531 11.188 -6.969 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.836 9.581 -5.132 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -6.130 11.115 -4.570 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.849 10.764 -4.272 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.354 9.544 -7.101 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.465 10.724 -6.367 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -8.747 11.051 -7.962 1.00 40.04 H new ATOM 1301 N ASN A 74 -8.314 15.698 -6.507 1.00 35.22 N ATOM 1302 CA ASN A 74 -8.432 17.094 -6.120 1.00 74.20 C ATOM 1303 C ASN A 74 -8.743 17.179 -4.624 1.00 51.40 C ATOM 1304 O ASN A 74 -9.091 16.178 -4.000 1.00 1.13 O ATOM 1305 CB ASN A 74 -9.570 17.781 -6.878 1.00 44.21 C ATOM 1306 CG ASN A 74 -9.097 18.276 -8.246 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -8.110 18.982 -8.373 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -9.852 17.866 -9.261 1.00 1.30 N ATOM 0 H ASN A 74 -9.185 15.169 -6.467 1.00 35.22 H new ATOM 0 HA ASN A 74 -7.490 17.590 -6.355 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -10.399 17.085 -7.006 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -9.946 18.621 -6.294 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -9.618 18.142 -10.215 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -10.665 17.276 -9.086 1.00 1.30 H new ATOM 1315 N ALA A 75 -8.605 18.385 -4.092 1.00 12.11 N ATOM 1316 CA ALA A 75 -8.866 18.615 -2.681 1.00 24.42 C ATOM 1317 C ALA A 75 -10.217 18.000 -2.310 1.00 44.43 C ATOM 1318 O ALA A 75 -10.345 17.355 -1.270 1.00 11.42 O ATOM 1319 CB ALA A 75 -8.807 20.115 -2.388 1.00 14.40 C ATOM 0 H ALA A 75 -8.316 19.213 -4.613 1.00 12.11 H new ATOM 0 HA ALA A 75 -8.105 18.134 -2.067 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -9.003 20.287 -1.330 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -7.818 20.496 -2.641 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -9.558 20.632 -2.985 1.00 14.40 H new ATOM 1325 N ASN A 76 -11.191 18.222 -3.180 1.00 1.33 N ATOM 1326 CA ASN A 76 -12.528 17.699 -2.958 1.00 24.12 C ATOM 1327 C ASN A 76 -12.439 16.205 -2.641 1.00 74.34 C ATOM 1328 O ASN A 76 -13.206 15.693 -1.826 1.00 61.04 O ATOM 1329 CB ASN A 76 -13.400 17.867 -4.203 1.00 13.50 C ATOM 1330 CG ASN A 76 -13.788 19.333 -4.407 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -14.514 19.924 -3.624 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -13.264 19.884 -5.499 1.00 33.55 N ATOM 0 H ASN A 76 -11.081 18.758 -4.041 1.00 1.33 H new ATOM 0 HA ASN A 76 -12.973 18.251 -2.130 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -12.863 17.504 -5.079 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -14.300 17.259 -4.106 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -13.462 20.859 -5.724 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -12.664 19.331 -6.111 1.00 33.55 H new ATOM 1339 N GLN A 77 -11.498 15.547 -3.301 1.00 5.11 N ATOM 1340 CA GLN A 77 -11.299 14.121 -3.100 1.00 23.14 C ATOM 1341 C GLN A 77 -10.309 13.879 -1.959 1.00 75.30 C ATOM 1342 O GLN A 77 -9.298 14.570 -1.852 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.825 13.447 -4.389 1.00 64.02 C ATOM 1344 CG GLN A 77 -10.416 11.995 -4.129 1.00 4.53 C ATOM 1345 CD GLN A 77 -11.644 11.111 -3.908 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -12.496 10.961 -4.769 1.00 32.13 O ATOM 1347 NE2 GLN A 77 -11.687 10.535 -2.710 1.00 2.12 N ATOM 0 H GLN A 77 -10.864 15.975 -3.976 1.00 5.11 H new ATOM 0 HA GLN A 77 -12.255 13.675 -2.826 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -11.621 13.477 -5.133 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.981 13.998 -4.803 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -9.840 11.619 -4.974 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -9.767 11.947 -3.255 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -10.940 10.703 -2.036 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -12.467 9.925 -2.465 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.637 12.895 -1.133 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.789 12.553 -0.003 1.00 43.41 C ATOM 1358 C ALA A 78 -9.121 11.202 -0.264 1.00 61.31 C ATOM 1359 O ALA A 78 -9.756 10.278 -0.770 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.623 12.555 1.279 1.00 61.34 C ATOM 0 H ALA A 78 -11.478 12.324 -1.224 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.998 13.292 0.123 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.988 12.299 2.127 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -11.051 13.545 1.433 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.425 11.822 1.192 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.847 11.129 0.094 1.00 75.54 N ATOM 1367 CA PHE A 79 -7.086 9.906 -0.093 1.00 50.43 C ATOM 1368 C PHE A 79 -6.338 9.523 1.185 1.00 43.02 C ATOM 1369 O PHE A 79 -5.612 10.339 1.751 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.069 10.178 -1.203 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.767 9.388 -1.063 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -4.767 8.039 -1.241 1.00 41.31 C ATOM 1373 CD2 PHE A 79 -3.609 10.032 -0.757 1.00 44.31 C ATOM 1374 CE1 PHE A 79 -3.559 7.306 -1.110 1.00 70.15 C ATOM 1375 CE2 PHE A 79 -2.401 9.298 -0.627 1.00 23.15 C ATOM 1376 CZ PHE A 79 -2.401 7.950 -0.806 1.00 20.55 C ATOM 0 H PHE A 79 -7.323 11.897 0.513 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.757 9.086 -0.347 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.524 9.940 -2.164 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -5.836 11.243 -1.215 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.686 7.526 -1.482 1.00 41.31 H new ATOM 0 HD2 PHE A 79 -3.608 11.102 -0.613 1.00 44.31 H new ATOM 0 HE1 PHE A 79 -3.560 6.235 -1.252 1.00 70.15 H new ATOM 0 HE2 PHE A 79 -1.481 9.810 -0.386 1.00 23.15 H new ATOM 0 HZ PHE A 79 -1.482 7.392 -0.707 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.540 8.282 1.602 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.894 7.782 2.804 1.00 53.43 C ATOM 1388 C PHE A 80 -5.296 6.394 2.567 1.00 1.31 C ATOM 1389 O PHE A 80 -6.022 5.438 2.300 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.973 7.682 3.884 1.00 51.05 C ATOM 1391 CG PHE A 80 -7.293 9.011 4.570 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -6.299 9.732 5.153 1.00 23.51 C ATOM 1393 CD2 PHE A 80 -8.572 9.473 4.594 1.00 20.11 C ATOM 1394 CE1 PHE A 80 -6.596 10.966 5.790 1.00 25.31 C ATOM 1395 CE2 PHE A 80 -8.869 10.707 5.230 1.00 2.11 C ATOM 1396 CZ PHE A 80 -7.874 11.427 5.815 1.00 53.22 C ATOM 0 H PHE A 80 -7.142 7.608 1.129 1.00 13.24 H new ATOM 0 HA PHE A 80 -5.086 8.452 3.098 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.885 7.287 3.436 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -6.652 6.964 4.638 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -5.283 9.366 5.132 1.00 23.51 H new ATOM 0 HD2 PHE A 80 -9.362 8.901 4.129 1.00 20.11 H new ATOM 0 HE1 PHE A 80 -5.806 11.538 6.254 1.00 25.31 H new ATOM 0 HE2 PHE A 80 -9.885 11.074 5.249 1.00 2.11 H new ATOM 0 HZ PHE A 80 -8.100 12.365 6.300 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.977 6.327 2.673 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.272 5.071 2.473 1.00 10.45 C ATOM 1408 C LEU A 81 -3.145 4.345 3.814 1.00 41.41 C ATOM 1409 O LEU A 81 -2.603 4.893 4.772 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.932 5.315 1.776 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.410 4.167 0.910 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -2.024 2.833 1.339 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -1.638 4.451 -0.576 1.00 32.24 C ATOM 0 H LEU A 81 -3.377 7.122 2.895 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.837 4.417 1.808 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -2.026 6.202 1.150 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.184 5.539 2.537 1.00 51.24 H new ATOM 0 HG LEU A 81 -0.333 4.090 1.061 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -1.636 2.034 0.707 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -1.766 2.631 2.379 1.00 70.10 H new ATOM 0 HD13 LEU A 81 -3.108 2.882 1.237 1.00 70.10 H new ATOM 0 HD21 LEU A 81 -1.257 3.619 -1.168 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -2.705 4.572 -0.764 1.00 32.24 H new ATOM 0 HD23 LEU A 81 -1.114 5.365 -0.856 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.654 3.122 3.838 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.604 2.314 5.045 1.00 2.41 C ATOM 1427 C LEU A 82 -2.557 1.212 4.872 1.00 23.30 C ATOM 1428 O LEU A 82 -2.700 0.343 4.014 1.00 74.12 O ATOM 1429 CB LEU A 82 -4.997 1.789 5.395 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.078 2.850 5.618 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.820 3.633 6.906 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.199 3.771 4.402 1.00 2.33 C ATOM 0 H LEU A 82 -4.103 2.671 3.041 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.293 2.919 5.897 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.326 1.127 4.594 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -4.919 1.183 6.298 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.036 2.343 5.736 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.602 4.380 7.041 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.822 2.949 7.754 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.852 4.129 6.842 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -6.973 4.516 4.585 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.247 4.273 4.229 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -6.463 3.182 3.524 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.526 1.284 5.701 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.455 0.303 5.652 1.00 54.23 C ATOM 1446 C VAL A 83 -0.849 -0.918 6.485 1.00 0.12 C ATOM 1447 O VAL A 83 -0.901 -0.847 7.712 1.00 11.13 O ATOM 1448 CB VAL A 83 0.860 0.940 6.110 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.803 -0.112 6.695 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.529 1.699 4.961 1.00 25.30 C ATOM 0 H VAL A 83 -1.409 2.007 6.411 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.297 -0.038 4.629 1.00 54.23 H new ATOM 0 HB VAL A 83 0.630 1.658 6.897 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.730 0.366 7.013 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.329 -0.589 7.552 1.00 75.33 H new ATOM 0 HG13 VAL A 83 2.024 -0.864 5.937 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.461 2.142 5.312 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.740 1.009 4.144 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.863 2.486 4.608 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.116 -2.011 5.784 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.504 -3.246 6.443 1.00 22.42 C ATOM 1462 C ASN A 84 -2.931 -3.108 6.979 1.00 41.23 C ATOM 1463 O ASN A 84 -3.398 -3.957 7.736 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.583 -3.551 7.627 1.00 70.52 C ATOM 1465 CG ASN A 84 0.103 -4.908 7.452 1.00 20.31 C ATOM 1466 OD1 ASN A 84 1.244 -4.853 6.771 1.00 32.51 O flip ATOM 1467 ND2 ASN A 84 -0.372 -5.936 7.906 1.00 73.33 N flip ATOM 0 H ASN A 84 -1.071 -2.066 4.766 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.435 -4.053 5.713 1.00 22.42 H new ATOM 0 HB2 ASN A 84 0.170 -2.768 7.718 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.160 -3.548 8.552 1.00 70.52 H new ATOM 0 HD21 ASN A 84 -1.253 -5.907 8.420 1.00 73.33 H new ATOM 0 HD22 ASN A 84 0.112 -6.824 7.772 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.583 -2.031 6.564 1.00 4.15 N ATOM 1475 CA GLY A 85 -4.946 -1.771 6.992 1.00 4.21 C ATOM 1476 C GLY A 85 -4.986 -0.675 8.060 1.00 61.15 C ATOM 1477 O GLY A 85 -6.045 -0.378 8.609 1.00 20.01 O ATOM 0 H GLY A 85 -3.192 -1.329 5.936 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.549 -1.471 6.135 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.387 -2.686 7.388 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.819 -0.106 8.321 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.707 0.950 9.313 1.00 11.12 C ATOM 1483 C HIS A 86 -3.017 2.167 8.693 1.00 50.33 C ATOM 1484 O HIS A 86 -1.970 2.036 8.061 1.00 50.41 O ATOM 1485 CB HIS A 86 -2.996 0.442 10.569 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.655 -0.197 10.300 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.529 0.535 9.964 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.270 -1.506 10.322 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.480 -0.305 9.793 1.00 52.33 C ATOM 1490 NE2 HIS A 86 0.018 -1.570 10.014 1.00 4.14 N ATOM 0 H HIS A 86 -2.943 -0.356 7.863 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.702 1.263 9.630 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -2.858 1.275 11.258 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.638 -0.283 11.070 1.00 31.02 H new ATOM 0 HD2 HIS A 86 -1.907 -2.348 10.551 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.491 -0.036 9.526 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.572 -2.424 9.952 1.00 4.14 H new ATOM 1498 N SER A 87 -3.632 3.323 8.896 1.00 21.12 N ATOM 1499 CA SER A 87 -3.090 4.562 8.364 1.00 35.33 C ATOM 1500 C SER A 87 -1.668 4.777 8.885 1.00 12.03 C ATOM 1501 O SER A 87 -1.202 4.037 9.750 1.00 44.20 O ATOM 1502 CB SER A 87 -3.977 5.753 8.732 1.00 21.01 C ATOM 1503 OG SER A 87 -4.756 5.499 9.897 1.00 72.54 O ATOM 0 H SER A 87 -4.500 3.428 9.421 1.00 21.12 H new ATOM 0 HA SER A 87 -3.064 4.486 7.277 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.354 6.632 8.897 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.638 5.984 7.897 1.00 21.01 H new ATOM 0 HG SER A 87 -4.784 6.305 10.454 1.00 72.54 H new ATOM 1509 N MET A 88 -1.019 5.794 8.337 1.00 23.44 N ATOM 1510 CA MET A 88 0.341 6.117 8.737 1.00 70.11 C ATOM 1511 C MET A 88 0.397 7.471 9.447 1.00 34.21 C ATOM 1512 O MET A 88 1.309 8.262 9.210 1.00 30.24 O ATOM 1513 CB MET A 88 1.241 6.150 7.500 1.00 23.21 C ATOM 1514 CG MET A 88 0.491 6.710 6.290 1.00 12.04 C ATOM 1515 SD MET A 88 -0.066 8.371 6.634 1.00 73.31 S ATOM 1516 CE MET A 88 -1.794 8.212 6.213 1.00 51.33 C ATOM 0 H MET A 88 -1.409 6.405 7.620 1.00 23.44 H new ATOM 0 HA MET A 88 0.689 5.351 9.430 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.120 6.762 7.702 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.597 5.144 7.278 1.00 23.21 H new ATOM 0 HG2 MET A 88 1.142 6.709 5.416 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.361 6.073 6.053 1.00 12.04 H new ATOM 0 HE1 MET A 88 -2.153 9.149 5.788 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.919 7.411 5.484 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.367 7.978 7.110 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.589 7.696 10.303 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.663 8.941 11.049 1.00 62.21 C ATOM 1528 C VAL A 89 0.747 9.367 11.462 1.00 24.13 C ATOM 1529 O VAL A 89 1.036 10.558 11.559 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.612 8.782 12.238 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -2.898 8.067 11.822 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -0.926 8.049 13.393 1.00 72.21 C ATOM 0 H VAL A 89 -1.343 7.037 10.497 1.00 62.44 H new ATOM 0 HA VAL A 89 -1.074 9.736 10.427 1.00 62.21 H new ATOM 0 HB VAL A 89 -1.881 9.779 12.587 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -3.555 7.967 12.686 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -3.402 8.646 11.048 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -2.655 7.078 11.435 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -1.623 7.949 14.225 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -0.613 7.059 13.061 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -0.053 8.616 13.716 1.00 72.21 H new ATOM 1542 N SER A 90 1.589 8.370 11.694 1.00 43.15 N ATOM 1543 CA SER A 90 2.961 8.626 12.094 1.00 5.54 C ATOM 1544 C SER A 90 3.927 7.946 11.121 1.00 40.34 C ATOM 1545 O SER A 90 4.129 6.734 11.187 1.00 35.33 O ATOM 1546 CB SER A 90 3.219 8.142 13.522 1.00 14.32 C ATOM 1547 OG SER A 90 2.114 8.407 14.383 1.00 2.52 O ATOM 0 H SER A 90 1.346 7.383 11.612 1.00 43.15 H new ATOM 0 HA SER A 90 3.128 9.703 12.068 1.00 5.54 H new ATOM 0 HB2 SER A 90 3.421 7.071 13.511 1.00 14.32 H new ATOM 0 HB3 SER A 90 4.110 8.631 13.915 1.00 14.32 H new ATOM 0 HG SER A 90 2.317 8.082 15.285 1.00 2.52 H new ATOM 1553 N VAL A 91 4.497 8.755 10.240 1.00 73.43 N ATOM 1554 CA VAL A 91 5.435 8.246 9.254 1.00 23.12 C ATOM 1555 C VAL A 91 6.849 8.701 9.620 1.00 2.11 C ATOM 1556 O VAL A 91 7.304 9.750 9.167 1.00 34.04 O ATOM 1557 CB VAL A 91 5.010 8.684 7.852 1.00 41.51 C ATOM 1558 CG1 VAL A 91 4.254 10.014 7.898 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.217 8.771 6.915 1.00 15.53 C ATOM 0 H VAL A 91 4.327 9.759 10.188 1.00 73.43 H new ATOM 0 HA VAL A 91 5.434 7.156 9.253 1.00 23.12 H new ATOM 0 HB VAL A 91 4.332 7.928 7.456 1.00 41.51 H new ATOM 0 HG11 VAL A 91 3.963 10.302 6.888 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.362 9.904 8.515 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.897 10.784 8.324 1.00 4.23 H new ATOM 0 HG21 VAL A 91 5.887 9.084 5.925 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.930 9.497 7.306 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.695 7.794 6.846 1.00 15.53 H new ATOM 1569 N SER A 92 7.505 7.890 10.437 1.00 1.13 N ATOM 1570 CA SER A 92 8.858 8.196 10.869 1.00 51.40 C ATOM 1571 C SER A 92 9.779 7.006 10.591 1.00 74.42 C ATOM 1572 O SER A 92 10.860 6.905 11.167 1.00 22.05 O ATOM 1573 CB SER A 92 8.893 8.559 12.355 1.00 12.45 C ATOM 1574 OG SER A 92 8.229 9.792 12.619 1.00 11.51 O ATOM 0 H SER A 92 7.124 7.021 10.811 1.00 1.13 H new ATOM 0 HA SER A 92 9.210 9.059 10.304 1.00 51.40 H new ATOM 0 HB2 SER A 92 8.424 7.763 12.934 1.00 12.45 H new ATOM 0 HB3 SER A 92 9.929 8.627 12.687 1.00 12.45 H new ATOM 0 HG SER A 92 8.272 9.988 13.578 1.00 11.51 H new ATOM 1580 N THR A 93 9.315 6.134 9.708 1.00 61.14 N ATOM 1581 CA THR A 93 10.082 4.955 9.347 1.00 63.22 C ATOM 1582 C THR A 93 10.221 4.852 7.827 1.00 21.35 C ATOM 1583 O THR A 93 9.306 5.219 7.091 1.00 40.15 O ATOM 1584 CB THR A 93 9.404 3.737 9.979 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.697 3.857 11.368 1.00 4.41 O ATOM 1586 CG2 THR A 93 10.067 2.420 9.570 1.00 72.01 C ATOM 0 H THR A 93 8.417 6.221 9.232 1.00 61.14 H new ATOM 0 HA THR A 93 11.100 5.014 9.731 1.00 63.22 H new ATOM 0 HB THR A 93 8.352 3.718 9.693 1.00 14.31 H new ATOM 0 HG1 THR A 93 9.293 3.108 11.853 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.548 1.588 10.046 1.00 72.01 H new ATOM 0 HG22 THR A 93 10.016 2.308 8.487 1.00 72.01 H new ATOM 0 HG23 THR A 93 11.110 2.424 9.886 1.00 72.01 H new ATOM 1594 N PRO A 94 11.403 4.340 7.390 1.00 14.14 N ATOM 1595 CA PRO A 94 11.673 4.186 5.971 1.00 74.20 C ATOM 1596 C PRO A 94 10.904 2.996 5.393 1.00 15.02 C ATOM 1597 O PRO A 94 10.819 1.942 6.022 1.00 45.33 O ATOM 1598 CB PRO A 94 13.180 4.024 5.873 1.00 44.34 C ATOM 1599 CG PRO A 94 13.648 3.628 7.263 1.00 22.42 C ATOM 1600 CD PRO A 94 12.510 3.897 8.233 1.00 54.04 C ATOM 0 HA PRO A 94 11.339 5.041 5.384 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.444 3.262 5.140 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.652 4.952 5.552 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.928 2.575 7.286 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.533 4.199 7.545 1.00 22.42 H new ATOM 0 HD2 PRO A 94 12.247 3.000 8.794 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.783 4.660 8.962 1.00 54.04 H new ATOM 1608 N ILE A 95 10.361 3.205 4.202 1.00 43.23 N ATOM 1609 CA ILE A 95 9.603 2.162 3.532 1.00 11.34 C ATOM 1610 C ILE A 95 10.385 0.849 3.593 1.00 4.52 C ATOM 1611 O ILE A 95 9.799 -0.230 3.527 1.00 11.01 O ATOM 1612 CB ILE A 95 9.237 2.596 2.111 1.00 53.24 C ATOM 1613 CG1 ILE A 95 8.094 1.744 1.555 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.465 2.574 1.198 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.863 2.603 1.258 1.00 23.35 C ATOM 0 H ILE A 95 10.431 4.081 3.684 1.00 43.23 H new ATOM 0 HA ILE A 95 8.655 1.991 4.043 1.00 11.34 H new ATOM 0 HB ILE A 95 8.882 3.626 2.149 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.420 1.242 0.644 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.834 0.965 2.272 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.178 2.887 0.194 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.221 3.256 1.588 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.873 1.564 1.161 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.066 1.973 0.864 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.525 3.084 2.176 1.00 23.35 H new ATOM 0 HD13 ILE A 95 7.120 3.365 0.522 1.00 23.35 H new ATOM 1627 N SER A 96 11.697 0.984 3.717 1.00 11.42 N ATOM 1628 CA SER A 96 12.566 -0.179 3.788 1.00 51.52 C ATOM 1629 C SER A 96 12.266 -0.980 5.056 1.00 41.31 C ATOM 1630 O SER A 96 12.200 -2.208 5.017 1.00 24.42 O ATOM 1631 CB SER A 96 14.040 0.232 3.755 1.00 73.11 C ATOM 1632 OG SER A 96 14.437 0.888 4.956 1.00 50.12 O ATOM 0 H SER A 96 12.180 1.881 3.770 1.00 11.42 H new ATOM 0 HA SER A 96 12.372 -0.805 2.917 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.660 -0.652 3.602 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.213 0.893 2.906 1.00 73.11 H new ATOM 0 HG SER A 96 15.384 1.133 4.897 1.00 50.12 H new ATOM 1638 N GLU A 97 12.093 -0.253 6.149 1.00 73.25 N ATOM 1639 CA GLU A 97 11.801 -0.881 7.426 1.00 22.40 C ATOM 1640 C GLU A 97 10.315 -1.231 7.519 1.00 74.43 C ATOM 1641 O GLU A 97 9.958 -2.380 7.776 1.00 53.53 O ATOM 1642 CB GLU A 97 12.226 0.018 8.589 1.00 24.31 C ATOM 1643 CG GLU A 97 13.750 0.073 8.711 1.00 14.32 C ATOM 1644 CD GLU A 97 14.172 0.702 10.040 1.00 13.10 C ATOM 1645 OE1 GLU A 97 13.688 0.286 11.103 1.00 33.11 O ATOM 1646 OE2 GLU A 97 15.036 1.655 9.943 1.00 21.14 O ATOM 0 H GLU A 97 12.149 0.765 6.177 1.00 73.25 H new ATOM 0 HA GLU A 97 12.376 -1.804 7.494 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.833 1.024 8.438 1.00 24.31 H new ATOM 0 HB3 GLU A 97 11.796 -0.356 9.518 1.00 24.31 H new ATOM 0 HG2 GLU A 97 14.161 -0.934 8.634 1.00 14.32 H new ATOM 0 HG3 GLU A 97 14.164 0.650 7.884 1.00 14.32 H new ATOM 1654 N VAL A 98 9.487 -0.219 7.307 1.00 73.03 N ATOM 1655 CA VAL A 98 8.047 -0.405 7.363 1.00 14.31 C ATOM 1656 C VAL A 98 7.675 -1.698 6.634 1.00 14.23 C ATOM 1657 O VAL A 98 6.704 -2.361 6.995 1.00 62.31 O ATOM 1658 CB VAL A 98 7.337 0.826 6.796 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.906 0.488 6.373 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.354 1.980 7.801 1.00 53.40 C ATOM 0 H VAL A 98 9.786 0.733 7.096 1.00 73.03 H new ATOM 0 HA VAL A 98 7.716 -0.507 8.396 1.00 14.31 H new ATOM 0 HB VAL A 98 7.881 1.147 5.908 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.424 1.380 5.974 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.927 -0.287 5.607 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.346 0.129 7.237 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.843 2.843 7.373 1.00 53.40 H new ATOM 0 HG22 VAL A 98 6.846 1.674 8.715 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.385 2.247 8.031 1.00 53.40 H new ATOM 1670 N TYR A 99 8.467 -2.017 5.621 1.00 23.41 N ATOM 1671 CA TYR A 99 8.234 -3.218 4.838 1.00 72.23 C ATOM 1672 C TYR A 99 8.798 -4.452 5.546 1.00 41.42 C ATOM 1673 O TYR A 99 8.135 -5.485 5.623 1.00 44.51 O ATOM 1674 CB TYR A 99 8.982 -3.014 3.519 1.00 73.42 C ATOM 1675 CG TYR A 99 9.347 -4.316 2.803 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.465 -5.027 3.190 1.00 10.12 C ATOM 1677 CD2 TYR A 99 8.558 -4.780 1.770 1.00 72.44 C ATOM 1678 CE1 TYR A 99 10.809 -6.252 2.516 1.00 13.41 C ATOM 1679 CE2 TYR A 99 8.901 -6.005 1.096 1.00 65.15 C ATOM 1680 CZ TYR A 99 10.010 -6.681 1.502 1.00 12.34 C ATOM 1681 OH TYR A 99 10.335 -7.838 0.866 1.00 34.03 O ATOM 0 H TYR A 99 9.271 -1.464 5.324 1.00 23.41 H new ATOM 0 HA TYR A 99 7.166 -3.379 4.692 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.368 -2.406 2.855 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.894 -2.450 3.714 1.00 73.42 H new ATOM 0 HD1 TYR A 99 11.082 -4.664 3.999 1.00 10.12 H new ATOM 0 HD2 TYR A 99 7.683 -4.224 1.467 1.00 72.44 H new ATOM 0 HE1 TYR A 99 11.681 -6.817 2.809 1.00 13.41 H new ATOM 0 HE2 TYR A 99 8.292 -6.379 0.286 1.00 65.15 H new ATOM 0 HH TYR A 99 9.623 -8.076 0.236 1.00 34.03 H new ATOM 1691 N GLU A 100 10.016 -4.303 6.043 1.00 24.12 N ATOM 1692 CA GLU A 100 10.678 -5.393 6.742 1.00 10.14 C ATOM 1693 C GLU A 100 10.036 -5.611 8.113 1.00 24.24 C ATOM 1694 O GLU A 100 10.400 -6.540 8.832 1.00 64.34 O ATOM 1695 CB GLU A 100 12.179 -5.128 6.875 1.00 52.12 C ATOM 1696 CG GLU A 100 12.485 -4.330 8.145 1.00 41.55 C ATOM 1697 CD GLU A 100 13.835 -3.619 8.033 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.408 -3.546 6.935 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.287 -3.130 9.138 1.00 74.24 O ATOM 0 H GLU A 100 10.563 -3.445 5.976 1.00 24.12 H new ATOM 0 HA GLU A 100 10.554 -6.303 6.155 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.718 -6.075 6.897 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.534 -4.580 6.002 1.00 52.12 H new ATOM 0 HG2 GLU A 100 11.697 -3.597 8.317 1.00 41.55 H new ATOM 0 HG3 GLU A 100 12.492 -4.998 9.006 1.00 41.55 H new ATOM 1707 N SER A 101 9.093 -4.738 8.435 1.00 23.43 N ATOM 1708 CA SER A 101 8.398 -4.824 9.708 1.00 33.22 C ATOM 1709 C SER A 101 6.930 -5.189 9.479 1.00 63.15 C ATOM 1710 O SER A 101 6.192 -5.440 10.432 1.00 0.10 O ATOM 1711 CB SER A 101 8.501 -3.508 10.483 1.00 23.11 C ATOM 1712 OG SER A 101 9.684 -3.448 11.276 1.00 11.13 O ATOM 0 H SER A 101 8.794 -3.968 7.837 1.00 23.43 H new ATOM 0 HA SER A 101 8.872 -5.604 10.304 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.491 -2.673 9.783 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.628 -3.396 11.125 1.00 23.11 H new ATOM 0 HG SER A 101 9.714 -2.593 11.754 1.00 11.13 H new ATOM 1718 N GLU A 102 6.550 -5.209 8.210 1.00 74.03 N ATOM 1719 CA GLU A 102 5.183 -5.540 7.843 1.00 73.55 C ATOM 1720 C GLU A 102 5.167 -6.702 6.848 1.00 44.54 C ATOM 1721 O GLU A 102 4.547 -7.733 7.100 1.00 34.43 O ATOM 1722 CB GLU A 102 4.457 -4.320 7.275 1.00 0.30 C ATOM 1723 CG GLU A 102 4.049 -3.356 8.390 1.00 75.10 C ATOM 1724 CD GLU A 102 2.774 -3.833 9.088 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.066 -3.025 9.707 1.00 30.04 O ATOM 1726 OE2 GLU A 102 2.528 -5.094 8.972 1.00 73.01 O ATOM 0 H GLU A 102 7.165 -5.001 7.423 1.00 74.03 H new ATOM 0 HA GLU A 102 4.651 -5.851 8.742 1.00 73.55 H new ATOM 0 HB2 GLU A 102 5.104 -3.806 6.564 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.572 -4.642 6.726 1.00 0.30 H new ATOM 0 HG2 GLU A 102 4.857 -3.273 9.117 1.00 75.10 H new ATOM 0 HG3 GLU A 102 3.890 -2.361 7.975 1.00 75.10 H new ATOM 1734 N ARG A 103 5.858 -6.495 5.736 1.00 73.01 N ATOM 1735 CA ARG A 103 5.931 -7.512 4.700 1.00 11.32 C ATOM 1736 C ARG A 103 5.993 -8.906 5.329 1.00 10.30 C ATOM 1737 O ARG A 103 6.489 -9.067 6.442 1.00 22.34 O ATOM 1738 CB ARG A 103 7.160 -7.306 3.812 1.00 73.24 C ATOM 1739 CG ARG A 103 8.428 -7.809 4.505 1.00 1.11 C ATOM 1740 CD ARG A 103 8.674 -9.286 4.192 1.00 64.23 C ATOM 1741 NE ARG A 103 10.122 -9.585 4.269 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.711 -10.639 3.665 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.979 -11.505 2.932 1.00 40.42 N ATOM 1744 NH2 ARG A 103 12.013 -10.810 3.801 1.00 53.31 N ATOM 0 H ARG A 103 6.372 -5.638 5.530 1.00 73.01 H new ATOM 0 HA ARG A 103 5.034 -7.426 4.086 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.024 -7.834 2.868 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.267 -6.248 3.573 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.284 -7.217 4.180 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.337 -7.672 5.583 1.00 1.11 H new ATOM 0 HD2 ARG A 103 8.127 -9.912 4.897 1.00 64.23 H new ATOM 0 HD3 ARG A 103 8.298 -9.523 3.197 1.00 64.23 H new ATOM 0 HE ARG A 103 10.712 -8.955 4.813 1.00 73.51 H new ATOM 0 HH11 ARG A 103 8.974 -11.365 2.832 1.00 40.42 H new ATOM 0 HH12 ARG A 103 10.431 -12.299 2.479 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.559 -10.151 4.356 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.473 -11.601 3.351 1.00 53.31 H new ATOM 1757 N ASP A 104 5.480 -9.877 4.587 1.00 3.22 N ATOM 1758 CA ASP A 104 5.471 -11.252 5.057 1.00 24.23 C ATOM 1759 C ASP A 104 6.587 -12.033 4.360 1.00 52.11 C ATOM 1760 O ASP A 104 7.332 -11.475 3.557 1.00 14.33 O ATOM 1761 CB ASP A 104 4.141 -11.936 4.733 1.00 21.34 C ATOM 1762 CG ASP A 104 3.144 -11.992 5.892 1.00 33.24 C ATOM 1763 OD1 ASP A 104 1.978 -11.594 5.752 1.00 13.53 O ATOM 1764 OD2 ASP A 104 3.613 -12.476 6.993 1.00 12.42 O ATOM 0 H ASP A 104 5.068 -9.739 3.664 1.00 3.22 H new ATOM 0 HA ASP A 104 5.617 -11.240 6.137 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.675 -11.414 3.897 1.00 21.34 H new ATOM 0 HB3 ASP A 104 4.345 -12.953 4.399 1.00 21.34 H new ATOM 1770 N GLU A 105 6.665 -13.314 4.691 1.00 4.45 N ATOM 1771 CA GLU A 105 7.677 -14.177 4.106 1.00 23.41 C ATOM 1772 C GLU A 105 7.690 -14.024 2.585 1.00 43.50 C ATOM 1773 O GLU A 105 8.755 -13.959 1.972 1.00 71.12 O ATOM 1774 CB GLU A 105 7.453 -15.635 4.510 1.00 74.25 C ATOM 1775 CG GLU A 105 7.430 -15.786 6.032 1.00 61.33 C ATOM 1776 CD GLU A 105 7.858 -17.195 6.450 1.00 54.43 C ATOM 1777 OE1 GLU A 105 9.056 -17.513 6.420 1.00 41.24 O ATOM 1778 OE2 GLU A 105 6.895 -17.971 6.816 1.00 31.11 O ATOM 0 H GLU A 105 6.044 -13.775 5.356 1.00 4.45 H new ATOM 0 HA GLU A 105 8.651 -13.874 4.489 1.00 23.41 H new ATOM 0 HB2 GLU A 105 6.512 -15.991 4.092 1.00 74.25 H new ATOM 0 HB3 GLU A 105 8.244 -16.257 4.091 1.00 74.25 H new ATOM 0 HG2 GLU A 105 8.096 -15.051 6.484 1.00 61.33 H new ATOM 0 HG3 GLU A 105 6.427 -15.581 6.406 1.00 61.33 H new ATOM 1786 N ASP A 106 6.494 -13.972 2.017 1.00 14.21 N ATOM 1787 CA ASP A 106 6.354 -13.828 0.578 1.00 71.01 C ATOM 1788 C ASP A 106 7.322 -12.752 0.081 1.00 12.41 C ATOM 1789 O ASP A 106 8.014 -12.948 -0.917 1.00 41.35 O ATOM 1790 CB ASP A 106 4.934 -13.397 0.203 1.00 4.22 C ATOM 1791 CG ASP A 106 4.256 -12.462 1.206 1.00 72.31 C ATOM 1792 OD1 ASP A 106 3.796 -12.896 2.273 1.00 41.53 O ATOM 1793 OD2 ASP A 106 4.209 -11.223 0.851 1.00 55.23 O ATOM 0 H ASP A 106 5.613 -14.027 2.528 1.00 14.21 H new ATOM 0 HA ASP A 106 6.571 -14.793 0.120 1.00 71.01 H new ATOM 0 HB2 ASP A 106 4.965 -12.903 -0.768 1.00 4.22 H new ATOM 0 HB3 ASP A 106 4.318 -14.289 0.087 1.00 4.22 H new ATOM 1799 N GLY A 107 7.339 -11.639 0.799 1.00 33.44 N ATOM 1800 CA GLY A 107 8.210 -10.532 0.443 1.00 23.13 C ATOM 1801 C GLY A 107 7.425 -9.417 -0.250 1.00 31.21 C ATOM 1802 O GLY A 107 8.014 -8.517 -0.846 1.00 13.31 O ATOM 0 H GLY A 107 6.763 -11.480 1.626 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.691 -10.140 1.339 1.00 23.13 H new ATOM 0 HA3 GLY A 107 9.003 -10.886 -0.215 1.00 23.13 H new ATOM 1806 N PHE A 108 6.107 -9.514 -0.149 1.00 52.33 N ATOM 1807 CA PHE A 108 5.235 -8.525 -0.760 1.00 14.14 C ATOM 1808 C PHE A 108 4.449 -7.756 0.304 1.00 21.33 C ATOM 1809 O PHE A 108 3.850 -8.358 1.194 1.00 22.32 O ATOM 1810 CB PHE A 108 4.253 -9.285 -1.653 1.00 51.42 C ATOM 1811 CG PHE A 108 4.387 -8.961 -3.143 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.379 -7.667 -3.560 1.00 14.11 C ATOM 1813 CD2 PHE A 108 4.515 -9.967 -4.049 1.00 32.51 C ATOM 1814 CE1 PHE A 108 4.504 -7.366 -4.942 1.00 54.21 C ATOM 1815 CE2 PHE A 108 4.640 -9.667 -5.431 1.00 73.31 C ATOM 1816 CZ PHE A 108 4.631 -8.373 -5.848 1.00 4.21 C ATOM 0 H PHE A 108 5.622 -10.262 0.347 1.00 52.33 H new ATOM 0 HA PHE A 108 5.827 -7.806 -1.327 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.401 -10.355 -1.510 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.236 -9.058 -1.332 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.278 -6.868 -2.840 1.00 14.11 H new ATOM 0 HD2 PHE A 108 4.522 -10.995 -3.717 1.00 32.51 H new ATOM 0 HE1 PHE A 108 4.498 -6.338 -5.274 1.00 54.21 H new ATOM 0 HE2 PHE A 108 4.742 -10.466 -6.150 1.00 73.31 H new ATOM 0 HZ PHE A 108 4.725 -8.144 -6.899 1.00 4.21 H new ATOM 1826 N LEU A 109 4.476 -6.438 0.176 1.00 21.41 N ATOM 1827 CA LEU A 109 3.774 -5.581 1.116 1.00 35.21 C ATOM 1828 C LEU A 109 2.304 -5.473 0.702 1.00 20.13 C ATOM 1829 O LEU A 109 1.995 -5.400 -0.486 1.00 53.12 O ATOM 1830 CB LEU A 109 4.478 -4.228 1.238 1.00 71.00 C ATOM 1831 CG LEU A 109 5.177 -3.954 2.572 1.00 51.53 C ATOM 1832 CD1 LEU A 109 5.625 -2.494 2.666 1.00 10.31 C ATOM 1833 CD2 LEU A 109 4.289 -4.358 3.750 1.00 53.35 C ATOM 0 H LEU A 109 4.973 -5.942 -0.564 1.00 21.41 H new ATOM 0 HA LEU A 109 3.794 -6.016 2.115 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.217 -4.152 0.441 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.743 -3.441 1.067 1.00 71.00 H new ATOM 0 HG LEU A 109 6.075 -4.570 2.620 1.00 51.53 H new ATOM 0 HD11 LEU A 109 6.119 -2.326 3.623 1.00 10.31 H new ATOM 0 HD12 LEU A 109 6.320 -2.274 1.856 1.00 10.31 H new ATOM 0 HD13 LEU A 109 4.756 -1.841 2.586 1.00 10.31 H new ATOM 0 HD21 LEU A 109 4.810 -4.153 4.685 1.00 53.35 H new ATOM 0 HD22 LEU A 109 3.361 -3.787 3.719 1.00 53.35 H new ATOM 0 HD23 LEU A 109 4.063 -5.422 3.687 1.00 53.35 H new ATOM 1845 N TYR A 110 1.439 -5.468 1.704 1.00 30.44 N ATOM 1846 CA TYR A 110 0.010 -5.371 1.459 1.00 32.34 C ATOM 1847 C TYR A 110 -0.570 -4.102 2.088 1.00 41.52 C ATOM 1848 O TYR A 110 -0.613 -3.973 3.310 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.618 -6.592 2.135 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.173 -7.930 1.540 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.882 -8.490 0.497 1.00 65.35 C ATOM 1852 CD2 TYR A 110 0.937 -8.574 2.046 1.00 40.13 C ATOM 1853 CE1 TYR A 110 -0.464 -9.750 -0.063 1.00 23.30 C ATOM 1854 CE2 TYR A 110 1.356 -9.834 1.486 1.00 12.12 C ATOM 1855 CZ TYR A 110 0.634 -10.359 0.460 1.00 64.21 C ATOM 1856 OH TYR A 110 1.031 -11.548 -0.069 1.00 75.44 O ATOM 0 H TYR A 110 1.700 -5.530 2.688 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.193 -5.334 0.389 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.367 -6.576 3.196 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.703 -6.517 2.063 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -1.750 -7.984 0.101 1.00 65.35 H new ATOM 0 HD2 TYR A 110 1.492 -8.134 2.862 1.00 40.13 H new ATOM 0 HE1 TYR A 110 -1.010 -10.200 -0.879 1.00 23.30 H new ATOM 0 HE2 TYR A 110 2.223 -10.349 1.872 1.00 12.12 H new ATOM 0 HH TYR A 110 0.785 -11.583 -1.017 1.00 75.44 H new ATOM 1866 N MET A 111 -1.000 -3.196 1.222 1.00 11.54 N ATOM 1867 CA MET A 111 -1.575 -1.941 1.677 1.00 54.55 C ATOM 1868 C MET A 111 -2.976 -1.739 1.097 1.00 15.42 C ATOM 1869 O MET A 111 -3.290 -2.253 0.025 1.00 64.01 O ATOM 1870 CB MET A 111 -0.673 -0.781 1.248 1.00 60.14 C ATOM 1871 CG MET A 111 0.680 -0.849 1.958 1.00 4.13 C ATOM 1872 SD MET A 111 1.697 0.533 1.467 1.00 11.21 S ATOM 1873 CE MET A 111 3.234 -0.312 1.138 1.00 41.54 C ATOM 0 H MET A 111 -0.962 -3.306 0.209 1.00 11.54 H new ATOM 0 HA MET A 111 -1.652 -1.971 2.764 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.524 -0.811 0.169 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.160 0.167 1.476 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.534 -0.838 3.038 1.00 4.13 H new ATOM 0 HG3 MET A 111 1.182 -1.785 1.714 1.00 4.13 H new ATOM 0 HE1 MET A 111 4.000 0.044 1.827 1.00 41.54 H new ATOM 0 HE2 MET A 111 3.096 -1.385 1.273 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.547 -0.112 0.113 1.00 41.54 H new ATOM 1883 N VAL A 112 -3.784 -0.987 1.832 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.144 -0.710 1.406 1.00 51.41 C ATOM 1885 C VAL A 112 -5.395 0.798 1.464 1.00 34.21 C ATOM 1886 O VAL A 112 -5.166 1.430 2.494 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.132 -1.514 2.252 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.494 -0.819 2.315 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.270 -2.944 1.725 1.00 14.04 C ATOM 0 H VAL A 112 -3.521 -0.561 2.721 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.292 -1.024 0.373 1.00 51.41 H new ATOM 0 HB VAL A 112 -5.736 -1.568 3.266 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.177 -1.412 2.923 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.378 0.169 2.759 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -7.898 -0.719 1.308 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -6.978 -3.493 2.345 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.630 -2.920 0.697 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.299 -3.439 1.758 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.863 1.332 0.345 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.148 2.754 0.256 1.00 64.13 C ATOM 1901 C TYR A 113 -7.642 3.001 0.036 1.00 45.34 C ATOM 1902 O TYR A 113 -8.345 2.142 -0.494 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.374 3.264 -0.961 1.00 30.31 C ATOM 1904 CG TYR A 113 -5.943 2.794 -2.302 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.055 3.414 -2.834 1.00 73.00 C ATOM 1906 CD2 TYR A 113 -5.343 1.752 -2.979 1.00 33.02 C ATOM 1907 CE1 TYR A 113 -7.592 2.972 -4.096 1.00 24.44 C ATOM 1908 CE2 TYR A 113 -5.879 1.311 -4.240 1.00 63.43 C ATOM 1909 CZ TYR A 113 -6.977 1.942 -4.737 1.00 23.23 C ATOM 1910 OH TYR A 113 -7.483 1.525 -5.928 1.00 43.21 O ATOM 0 H TYR A 113 -6.052 0.805 -0.508 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.860 3.261 1.177 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.366 4.354 -0.943 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.337 2.936 -0.883 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.523 4.231 -2.304 1.00 73.00 H new ATOM 0 HD2 TYR A 113 -4.472 1.268 -2.563 1.00 33.02 H new ATOM 0 HE1 TYR A 113 -8.463 3.448 -4.523 1.00 24.44 H new ATOM 0 HE2 TYR A 113 -5.419 0.497 -4.780 1.00 63.43 H new ATOM 0 HH TYR A 113 -7.851 2.292 -6.414 1.00 43.21 H new ATOM 1920 N ALA A 114 -8.082 4.179 0.453 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.480 4.550 0.309 1.00 1.44 C ATOM 1922 C ALA A 114 -9.642 6.040 0.617 1.00 2.12 C ATOM 1923 O ALA A 114 -8.668 6.721 0.934 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.338 3.669 1.218 1.00 12.02 C ATOM 0 H ALA A 114 -7.495 4.889 0.891 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.817 4.387 -0.715 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.386 3.947 1.110 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.209 2.623 0.938 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -10.031 3.808 2.255 1.00 12.02 H new ATOM 1930 N SER A 115 -10.879 6.501 0.514 1.00 54.31 N ATOM 1931 CA SER A 115 -11.181 7.898 0.778 1.00 61.52 C ATOM 1932 C SER A 115 -11.452 8.102 2.271 1.00 53.55 C ATOM 1933 O SER A 115 -12.128 9.054 2.658 1.00 63.34 O ATOM 1934 CB SER A 115 -12.381 8.367 -0.048 1.00 1.23 C ATOM 1935 OG SER A 115 -13.516 8.644 0.767 1.00 60.44 O ATOM 0 H SER A 115 -11.684 5.933 0.251 1.00 54.31 H new ATOM 0 HA SER A 115 -10.317 8.496 0.487 1.00 61.52 H new ATOM 0 HB2 SER A 115 -12.109 9.263 -0.606 1.00 1.23 H new ATOM 0 HB3 SER A 115 -12.639 7.601 -0.780 1.00 1.23 H new ATOM 0 HG SER A 115 -14.310 8.741 0.200 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.912 7.191 3.067 1.00 43.31 N ATOM 1942 CA GLN A 116 -11.087 7.259 4.508 1.00 53.23 C ATOM 1943 C GLN A 116 -9.861 6.683 5.219 1.00 50.42 C ATOM 1944 O GLN A 116 -9.197 5.790 4.694 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.363 6.533 4.939 1.00 2.11 C ATOM 1946 CG GLN A 116 -12.576 6.651 6.449 1.00 21.34 C ATOM 1947 CD GLN A 116 -14.067 6.674 6.792 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -14.690 7.719 6.896 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -14.602 5.468 6.962 1.00 55.11 N ATOM 0 H GLN A 116 -10.353 6.402 2.742 1.00 43.31 H new ATOM 0 HA GLN A 116 -11.189 8.306 4.794 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -13.220 6.953 4.413 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -12.300 5.482 4.658 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -12.096 5.813 6.954 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -12.100 7.560 6.817 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -14.023 4.634 6.860 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -15.591 5.377 7.194 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.597 7.217 6.402 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.462 6.768 7.190 1.00 34.21 C ATOM 1960 C GLU A 117 -8.927 6.309 8.574 1.00 42.32 C ATOM 1961 O GLU A 117 -8.117 5.867 9.389 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.404 7.866 7.303 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.705 7.817 8.663 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.631 8.902 8.767 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -5.623 9.846 7.963 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -4.784 8.739 9.727 1.00 14.44 O ATOM 0 H GLU A 117 -10.150 7.957 6.834 1.00 13.30 H new ATOM 0 HA GLU A 117 -8.004 5.920 6.682 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.668 7.750 6.508 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.871 8.841 7.165 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.439 7.949 9.458 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.252 6.836 8.808 1.00 44.23 H new ATOM 1974 N THR A 118 -10.226 6.431 8.798 1.00 32.30 N ATOM 1975 CA THR A 118 -10.807 6.034 10.069 1.00 34.24 C ATOM 1976 C THR A 118 -12.109 5.263 9.843 1.00 33.31 C ATOM 1977 O THR A 118 -13.189 5.852 9.823 1.00 43.32 O ATOM 1978 CB THR A 118 -10.988 7.294 10.920 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.642 8.211 10.048 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.657 7.974 11.247 1.00 11.22 C ATOM 0 H THR A 118 -10.894 6.799 8.121 1.00 32.30 H new ATOM 0 HA THR A 118 -10.150 5.351 10.608 1.00 34.24 H new ATOM 0 HB THR A 118 -11.502 7.036 11.846 1.00 61.45 H new ATOM 0 HG1 THR A 118 -12.442 7.789 9.670 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.841 8.862 11.852 1.00 11.22 H new ATOM 0 HG22 THR A 118 -9.022 7.283 11.801 1.00 11.22 H new ATOM 0 HG23 THR A 118 -9.159 8.262 10.321 1.00 11.22 H new ATOM 1988 N PHE A 119 -11.963 3.956 9.680 1.00 75.13 N ATOM 1989 CA PHE A 119 -13.114 3.098 9.456 1.00 65.24 C ATOM 1990 C PHE A 119 -13.281 2.096 10.600 1.00 62.50 C ATOM 1991 O PHE A 119 -14.401 1.708 10.932 1.00 23.21 O ATOM 1992 CB PHE A 119 -12.855 2.331 8.158 1.00 51.32 C ATOM 1993 CG PHE A 119 -11.407 1.868 7.986 1.00 24.22 C ATOM 1994 CD1 PHE A 119 -10.455 2.748 7.575 1.00 71.14 C ATOM 1995 CD2 PHE A 119 -11.071 0.576 8.247 1.00 35.43 C ATOM 1996 CE1 PHE A 119 -9.111 2.318 7.417 1.00 72.22 C ATOM 1997 CE2 PHE A 119 -9.727 0.146 8.089 1.00 64.44 C ATOM 1998 CZ PHE A 119 -8.775 1.026 7.677 1.00 71.41 C ATOM 0 H PHE A 119 -11.066 3.471 9.699 1.00 75.13 H new ATOM 0 HA PHE A 119 -14.021 3.700 9.399 1.00 65.24 H new ATOM 0 HB2 PHE A 119 -13.510 1.460 8.126 1.00 51.32 H new ATOM 0 HB3 PHE A 119 -13.126 2.965 7.314 1.00 51.32 H new ATOM 0 HD1 PHE A 119 -10.721 3.774 7.369 1.00 71.14 H new ATOM 0 HD2 PHE A 119 -11.827 -0.123 8.574 1.00 35.43 H new ATOM 0 HE1 PHE A 119 -8.355 3.017 7.090 1.00 72.22 H new ATOM 0 HE2 PHE A 119 -9.461 -0.880 8.296 1.00 64.44 H new ATOM 0 HZ PHE A 119 -7.753 0.699 7.556 1.00 71.41 H new ATOM 2008 N GLY A 120 -12.152 1.704 11.171 1.00 23.42 N ATOM 2009 CA GLY A 120 -12.158 0.755 12.272 1.00 75.54 C ATOM 2010 C GLY A 120 -10.804 0.056 12.401 1.00 62.20 C ATOM 2011 O GLY A 120 -10.738 -1.172 12.461 1.00 22.03 O ATOM 0 H GLY A 120 -11.225 2.027 10.892 1.00 23.42 H new ATOM 0 HA2 GLY A 120 -12.394 1.273 13.202 1.00 75.54 H new ATOM 0 HA3 GLY A 120 -12.941 0.013 12.113 1.00 75.54 H new TER 2015 GLY A 120 ATOM 2016 N MET B 331 -2.907 -1.385 -21.261 1.00 41.43 N ATOM 2017 CA MET B 331 -1.487 -1.077 -21.224 1.00 14.21 C ATOM 2018 C MET B 331 -0.806 -1.775 -20.046 1.00 62.23 C ATOM 2019 O MET B 331 -0.159 -1.128 -19.224 1.00 54.13 O ATOM 2020 CB MET B 331 -1.297 0.437 -21.099 1.00 42.31 C ATOM 2021 CG MET B 331 -2.024 0.981 -19.868 1.00 43.21 C ATOM 2022 SD MET B 331 -2.203 2.752 -19.999 1.00 31.54 S ATOM 2023 CE MET B 331 -3.980 2.876 -20.119 1.00 4.21 C ATOM 0 HA MET B 331 -1.032 -1.435 -22.147 1.00 14.21 H new ATOM 0 HB2 MET B 331 -0.234 0.669 -21.030 1.00 42.31 H new ATOM 0 HB3 MET B 331 -1.674 0.930 -21.995 1.00 42.31 H new ATOM 0 HG2 MET B 331 -3.005 0.514 -19.778 1.00 43.21 H new ATOM 0 HG3 MET B 331 -1.467 0.729 -18.966 1.00 43.21 H new ATOM 0 HE1 MET B 331 -4.266 3.924 -20.208 1.00 4.21 H new ATOM 0 HE2 MET B 331 -4.324 2.330 -20.997 1.00 4.21 H new ATOM 0 HE3 MET B 331 -4.436 2.450 -19.225 1.00 4.21 H new ATOM 2034 N SER B 332 -0.972 -3.090 -20.003 1.00 34.14 N ATOM 2035 CA SER B 332 -0.381 -3.884 -18.939 1.00 51.00 C ATOM 2036 C SER B 332 0.408 -5.052 -19.536 1.00 31.33 C ATOM 2037 O SER B 332 0.269 -6.190 -19.091 1.00 65.52 O ATOM 2038 CB SER B 332 -1.453 -4.402 -17.978 1.00 43.13 C ATOM 2039 OG SER B 332 -2.647 -4.774 -18.661 1.00 61.41 O ATOM 0 H SER B 332 -1.507 -3.624 -20.688 1.00 34.14 H new ATOM 0 HA SER B 332 0.298 -3.247 -18.372 1.00 51.00 H new ATOM 0 HB2 SER B 332 -1.065 -5.262 -17.431 1.00 43.13 H new ATOM 0 HB3 SER B 332 -1.682 -3.632 -17.241 1.00 43.13 H new ATOM 0 HG SER B 332 -3.306 -5.101 -18.013 1.00 61.41 H new ATOM 2045 N GLY B 333 1.217 -4.729 -20.533 1.00 3.32 N ATOM 2046 CA GLY B 333 2.028 -5.737 -21.195 1.00 43.01 C ATOM 2047 C GLY B 333 3.207 -6.157 -20.315 1.00 10.30 C ATOM 2048 O GLY B 333 4.166 -5.404 -20.155 1.00 23.54 O ATOM 0 H GLY B 333 1.329 -3.784 -20.899 1.00 3.32 H new ATOM 0 HA2 GLY B 333 1.415 -6.608 -21.427 1.00 43.01 H new ATOM 0 HA3 GLY B 333 2.398 -5.346 -22.143 1.00 43.01 H new ATOM 2052 N GLY B 334 3.097 -7.359 -19.768 1.00 31.32 N ATOM 2053 CA GLY B 334 4.142 -7.888 -18.907 1.00 53.43 C ATOM 2054 C GLY B 334 4.213 -7.113 -17.591 1.00 13.31 C ATOM 2055 O GLY B 334 3.919 -5.919 -17.552 1.00 50.55 O ATOM 0 H GLY B 334 2.301 -7.982 -19.904 1.00 31.32 H new ATOM 0 HA2 GLY B 334 3.951 -8.942 -18.703 1.00 53.43 H new ATOM 0 HA3 GLY B 334 5.103 -7.832 -19.419 1.00 53.43 H new ATOM 2059 N ASP B 335 4.605 -7.823 -16.544 1.00 5.13 N ATOM 2060 CA ASP B 335 4.719 -7.216 -15.228 1.00 5.01 C ATOM 2061 C ASP B 335 6.140 -7.422 -14.697 1.00 71.13 C ATOM 2062 O ASP B 335 6.402 -7.208 -13.515 1.00 10.34 O ATOM 2063 CB ASP B 335 3.747 -7.860 -14.238 1.00 53.42 C ATOM 2064 CG ASP B 335 2.364 -8.183 -14.808 1.00 1.34 C ATOM 2065 OD1 ASP B 335 2.237 -8.921 -15.796 1.00 41.32 O ATOM 2066 OD2 ASP B 335 1.376 -7.635 -14.185 1.00 4.34 O ATOM 0 H ASP B 335 4.848 -8.813 -16.580 1.00 5.13 H new ATOM 0 HA ASP B 335 4.485 -6.156 -15.325 1.00 5.01 H new ATOM 0 HB2 ASP B 335 4.192 -8.781 -13.861 1.00 53.42 H new ATOM 0 HB3 ASP B 335 3.625 -7.193 -13.385 1.00 53.42 H new ATOM 2072 N ASP B 336 7.020 -7.837 -15.597 1.00 54.12 N ATOM 2073 CA ASP B 336 8.407 -8.075 -15.235 1.00 73.32 C ATOM 2074 C ASP B 336 8.930 -6.884 -14.430 1.00 13.01 C ATOM 2075 O ASP B 336 9.811 -7.039 -13.587 1.00 45.13 O ATOM 2076 CB ASP B 336 9.283 -8.226 -16.479 1.00 42.24 C ATOM 2077 CG ASP B 336 8.768 -9.228 -17.515 1.00 61.12 C ATOM 2078 OD1 ASP B 336 8.373 -10.353 -17.174 1.00 34.03 O ATOM 2079 OD2 ASP B 336 8.785 -8.809 -18.735 1.00 11.32 O ATOM 0 H ASP B 336 6.799 -8.015 -16.577 1.00 54.12 H new ATOM 0 HA ASP B 336 8.450 -8.994 -14.651 1.00 73.32 H new ATOM 0 HB2 ASP B 336 9.381 -7.251 -16.956 1.00 42.24 H new ATOM 0 HB3 ASP B 336 10.282 -8.530 -16.167 1.00 42.24 H new ATOM 2085 N ASP B 337 8.364 -5.721 -14.718 1.00 34.41 N ATOM 2086 CA ASP B 337 8.762 -4.504 -14.031 1.00 41.12 C ATOM 2087 C ASP B 337 7.512 -3.745 -13.580 1.00 44.23 C ATOM 2088 O ASP B 337 6.756 -3.241 -14.409 1.00 22.34 O ATOM 2089 CB ASP B 337 9.565 -3.587 -14.956 1.00 74.41 C ATOM 2090 CG ASP B 337 9.005 -3.447 -16.373 1.00 74.24 C ATOM 2091 OD1 ASP B 337 7.828 -3.106 -16.563 1.00 11.21 O ATOM 2092 OD2 ASP B 337 9.841 -3.709 -17.319 1.00 24.22 O ATOM 0 H ASP B 337 7.633 -5.596 -15.418 1.00 34.41 H new ATOM 0 HA ASP B 337 9.379 -4.785 -13.178 1.00 41.12 H new ATOM 0 HB2 ASP B 337 9.619 -2.597 -14.504 1.00 74.41 H new ATOM 0 HB3 ASP B 337 10.586 -3.964 -15.020 1.00 74.41 H new ATOM 2098 N TRP B 338 7.335 -3.687 -12.269 1.00 31.21 N ATOM 2099 CA TRP B 338 6.190 -2.998 -11.699 1.00 33.50 C ATOM 2100 C TRP B 338 6.290 -1.519 -12.078 1.00 43.13 C ATOM 2101 O TRP B 338 6.882 -1.177 -13.101 1.00 24.04 O ATOM 2102 CB TRP B 338 6.112 -3.224 -10.187 1.00 13.13 C ATOM 2103 CG TRP B 338 6.368 -4.669 -9.759 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.515 -5.747 -10.541 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.502 -5.155 -8.407 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.733 -6.888 -9.795 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.725 -6.516 -8.456 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.436 -4.467 -7.182 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 6.901 -7.306 -7.313 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.614 -5.271 -6.049 1.00 42.51 C ATOM 2111 CH2 TRP B 338 6.839 -6.642 -6.082 1.00 22.23 C ATOM 0 H TRP B 338 7.965 -4.106 -11.585 1.00 31.21 H new ATOM 0 HA TRP B 338 5.260 -3.398 -12.102 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.838 -2.577 -9.696 1.00 13.13 H new ATOM 0 HB3 TRP B 338 5.126 -2.921 -9.835 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.469 -5.726 -11.620 1.00 63.32 H new ATOM 0 HE1 TRP B 338 6.874 -7.830 -10.159 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.262 -3.403 -7.120 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.075 -8.370 -7.378 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.574 -4.792 -5.082 1.00 42.51 H new ATOM 0 HH2 TRP B 338 6.966 -7.193 -5.162 1.00 22.23 H new ATOM 2122 N THR B 339 5.702 -0.684 -11.235 1.00 11.15 N ATOM 2123 CA THR B 339 5.718 0.751 -11.470 1.00 63.24 C ATOM 2124 C THR B 339 6.997 1.370 -10.901 1.00 75.25 C ATOM 2125 O THR B 339 7.907 0.653 -10.486 1.00 55.55 O ATOM 2126 CB THR B 339 4.439 1.341 -10.873 1.00 43.14 C ATOM 2127 OG1 THR B 339 4.113 2.417 -11.749 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.682 2.020 -9.523 1.00 73.05 C ATOM 0 H THR B 339 5.211 -0.972 -10.388 1.00 11.15 H new ATOM 0 HA THR B 339 5.731 0.978 -12.536 1.00 63.24 H new ATOM 0 HB THR B 339 3.696 0.553 -10.754 1.00 43.14 H new ATOM 0 HG1 THR B 339 4.145 2.104 -12.677 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.742 2.422 -9.143 1.00 73.05 H new ATOM 0 HG22 THR B 339 5.078 1.291 -8.815 1.00 73.05 H new ATOM 0 HG23 THR B 339 5.399 2.831 -9.648 1.00 73.05 H new ATOM 2136 N HIS B 340 7.024 2.694 -10.900 1.00 23.10 N ATOM 2137 CA HIS B 340 8.176 3.418 -10.388 1.00 53.35 C ATOM 2138 C HIS B 340 7.704 4.609 -9.552 1.00 55.35 C ATOM 2139 O HIS B 340 7.073 5.527 -10.074 1.00 75.31 O ATOM 2140 CB HIS B 340 9.110 3.827 -11.528 1.00 52.13 C ATOM 2141 CG HIS B 340 8.499 3.686 -12.903 1.00 4.34 C ATOM 2142 ND1 HIS B 340 8.378 2.468 -13.548 1.00 2.03 N ATOM 2143 CD2 HIS B 340 7.978 4.623 -13.747 1.00 35.32 C ATOM 2144 CE1 HIS B 340 7.808 2.674 -14.726 1.00 52.42 C ATOM 2145 NE2 HIS B 340 7.562 4.010 -14.848 1.00 32.50 N ATOM 0 H HIS B 340 6.267 3.285 -11.245 1.00 23.10 H new ATOM 0 HA HIS B 340 8.758 2.768 -9.734 1.00 53.35 H new ATOM 0 HB2 HIS B 340 9.414 4.863 -11.381 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.014 3.220 -11.479 1.00 52.13 H new ATOM 0 HD2 HIS B 340 7.915 5.683 -13.552 1.00 35.32 H new ATOM 0 HE1 HIS B 340 7.578 1.917 -15.461 1.00 52.42 H new ATOM 0 HE2 HIS B 340 7.130 4.463 -15.653 1.00 32.50 H new ATOM 2153 N LEU B 341 8.027 4.556 -8.268 1.00 42.45 N ATOM 2154 CA LEU B 341 7.644 5.618 -7.355 1.00 42.21 C ATOM 2155 C LEU B 341 8.744 6.683 -7.328 1.00 60.12 C ATOM 2156 O LEU B 341 9.735 6.538 -6.614 1.00 1.40 O ATOM 2157 CB LEU B 341 7.309 5.046 -5.976 1.00 45.14 C ATOM 2158 CG LEU B 341 6.084 4.133 -5.910 1.00 73.23 C ATOM 2159 CD1 LEU B 341 4.894 4.857 -5.275 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.742 3.572 -7.291 1.00 55.44 C ATOM 0 H LEU B 341 8.550 3.793 -7.839 1.00 42.45 H new ATOM 0 HA LEU B 341 6.733 6.107 -7.701 1.00 42.21 H new ATOM 0 HB2 LEU B 341 8.173 4.488 -5.616 1.00 45.14 H new ATOM 0 HB3 LEU B 341 7.156 5.877 -5.287 1.00 45.14 H new ATOM 0 HG LEU B 341 6.325 3.285 -5.269 1.00 73.23 H new ATOM 0 HD11 LEU B 341 4.036 4.186 -5.240 1.00 65.35 H new ATOM 0 HD12 LEU B 341 5.154 5.166 -4.263 1.00 65.35 H new ATOM 0 HD13 LEU B 341 4.643 5.736 -5.869 1.00 65.35 H new ATOM 0 HD21 LEU B 341 4.867 2.926 -7.215 1.00 55.44 H new ATOM 0 HD22 LEU B 341 5.528 4.394 -7.975 1.00 55.44 H new ATOM 0 HD23 LEU B 341 6.586 2.996 -7.669 1.00 55.44 H new ATOM 2172 N SER B 342 8.531 7.727 -8.114 1.00 53.43 N ATOM 2173 CA SER B 342 9.491 8.816 -8.189 1.00 62.22 C ATOM 2174 C SER B 342 9.051 9.965 -7.281 1.00 15.10 C ATOM 2175 O SER B 342 7.960 10.509 -7.447 1.00 21.54 O ATOM 2176 CB SER B 342 9.654 9.308 -9.629 1.00 33.03 C ATOM 2177 OG SER B 342 9.329 8.297 -10.579 1.00 21.10 O ATOM 0 H SER B 342 7.708 7.843 -8.705 1.00 53.43 H new ATOM 0 HA SER B 342 10.458 8.444 -7.850 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.014 10.176 -9.790 1.00 33.03 H new ATOM 0 HB3 SER B 342 10.682 9.636 -9.786 1.00 33.03 H new ATOM 0 HG SER B 342 9.385 8.668 -11.484 1.00 21.10 H new ATOM 2183 N SER B 343 9.922 10.301 -6.342 1.00 0.25 N ATOM 2184 CA SER B 343 9.638 11.377 -5.407 1.00 53.03 C ATOM 2185 C SER B 343 9.865 12.731 -6.082 1.00 5.52 C ATOM 2186 O SER B 343 9.664 13.777 -5.468 1.00 30.55 O ATOM 2187 CB SER B 343 10.501 11.258 -4.151 1.00 24.32 C ATOM 2188 OG SER B 343 11.724 11.980 -4.272 1.00 14.53 O ATOM 0 H SER B 343 10.826 9.847 -6.208 1.00 0.25 H new ATOM 0 HA SER B 343 8.594 11.300 -5.105 1.00 53.03 H new ATOM 0 HB2 SER B 343 9.944 11.631 -3.292 1.00 24.32 H new ATOM 0 HB3 SER B 343 10.718 10.207 -3.959 1.00 24.32 H new ATOM 0 HG SER B 343 12.246 11.880 -3.448 1.00 14.53 H new ATOM 2194 N LYS B 344 10.284 12.667 -7.337 1.00 41.31 N ATOM 2195 CA LYS B 344 10.541 13.876 -8.103 1.00 25.42 C ATOM 2196 C LYS B 344 9.277 14.269 -8.869 1.00 71.41 C ATOM 2197 O LYS B 344 9.066 15.443 -9.166 1.00 5.30 O ATOM 2198 CB LYS B 344 11.770 13.691 -8.996 1.00 31.02 C ATOM 2199 CG LYS B 344 11.768 12.309 -9.653 1.00 5.42 C ATOM 2200 CD LYS B 344 12.638 11.328 -8.866 1.00 64.43 C ATOM 2201 CE LYS B 344 14.122 11.668 -9.012 1.00 14.43 C ATOM 2202 NZ LYS B 344 14.554 12.579 -7.927 1.00 22.20 N ATOM 0 H LYS B 344 10.452 11.797 -7.843 1.00 41.31 H new ATOM 0 HA LYS B 344 10.780 14.706 -7.438 1.00 25.42 H new ATOM 0 HB2 LYS B 344 11.784 14.463 -9.765 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.676 13.814 -8.403 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.747 11.931 -9.710 1.00 5.42 H new ATOM 0 HG3 LYS B 344 12.136 12.388 -10.676 1.00 5.42 H new ATOM 0 HD2 LYS B 344 12.358 11.353 -7.813 1.00 64.43 H new ATOM 0 HD3 LYS B 344 12.458 10.313 -9.220 1.00 64.43 H new ATOM 0 HE2 LYS B 344 14.715 10.754 -8.985 1.00 14.43 H new ATOM 0 HE3 LYS B 344 14.301 12.136 -9.980 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 14.650 13.544 -8.302 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 13.846 12.572 -7.165 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 15.470 12.261 -7.551 1.00 22.20 H new ATOM 2215 N GLU B 345 8.469 13.263 -9.167 1.00 53.15 N ATOM 2216 CA GLU B 345 7.230 13.488 -9.894 1.00 4.44 C ATOM 2217 C GLU B 345 6.139 13.986 -8.943 1.00 23.22 C ATOM 2218 O GLU B 345 5.021 14.268 -9.369 1.00 21.12 O ATOM 2219 CB GLU B 345 6.784 12.220 -10.624 1.00 53.02 C ATOM 2220 CG GLU B 345 7.916 11.657 -11.486 1.00 14.22 C ATOM 2221 CD GLU B 345 7.679 10.179 -11.805 1.00 0.42 C ATOM 2222 OE1 GLU B 345 6.779 9.557 -11.222 1.00 61.52 O ATOM 2223 OE2 GLU B 345 8.468 9.680 -12.695 1.00 24.43 O ATOM 0 H GLU B 345 8.647 12.290 -8.919 1.00 53.15 H new ATOM 0 HA GLU B 345 7.408 14.257 -10.646 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.467 11.471 -9.899 1.00 53.02 H new ATOM 0 HB3 GLU B 345 5.920 12.442 -11.251 1.00 53.02 H new ATOM 0 HG2 GLU B 345 7.989 12.226 -12.413 1.00 14.22 H new ATOM 0 HG3 GLU B 345 8.867 11.772 -10.965 1.00 14.22 H new ATOM 2231 N VAL B 346 6.504 14.077 -7.672 1.00 4.42 N ATOM 2232 CA VAL B 346 5.571 14.535 -6.657 1.00 33.24 C ATOM 2233 C VAL B 346 5.519 16.065 -6.671 1.00 64.22 C ATOM 2234 O VAL B 346 6.227 16.706 -7.445 1.00 4.44 O ATOM 2235 CB VAL B 346 5.960 13.963 -5.292 1.00 73.12 C ATOM 2236 CG1 VAL B 346 6.265 12.467 -5.392 1.00 34.11 C ATOM 2237 CG2 VAL B 346 7.144 14.726 -4.695 1.00 13.23 C ATOM 0 H VAL B 346 7.433 13.841 -7.323 1.00 4.42 H new ATOM 0 HA VAL B 346 4.565 14.173 -6.872 1.00 33.24 H new ATOM 0 HB VAL B 346 5.110 14.087 -4.621 1.00 73.12 H new ATOM 0 HG11 VAL B 346 6.539 12.085 -4.409 1.00 34.11 H new ATOM 0 HG12 VAL B 346 5.383 11.939 -5.754 1.00 34.11 H new ATOM 0 HG13 VAL B 346 7.091 12.310 -6.085 1.00 34.11 H new ATOM 0 HG21 VAL B 346 7.400 14.299 -3.725 1.00 13.23 H new ATOM 0 HG22 VAL B 346 8.001 14.648 -5.364 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.875 15.775 -4.570 1.00 13.23 H new ATOM 2247 N ASP B 347 4.673 16.605 -5.806 1.00 64.45 N ATOM 2248 CA ASP B 347 4.520 18.045 -5.709 1.00 13.23 C ATOM 2249 C ASP B 347 5.839 18.665 -5.243 1.00 41.10 C ATOM 2250 O ASP B 347 6.083 18.784 -4.043 1.00 60.02 O ATOM 2251 CB ASP B 347 3.438 18.417 -4.693 1.00 11.14 C ATOM 2252 CG ASP B 347 3.208 19.919 -4.512 1.00 55.41 C ATOM 2253 OD1 ASP B 347 3.171 20.681 -5.490 1.00 44.22 O ATOM 2254 OD2 ASP B 347 3.062 20.306 -3.290 1.00 54.24 O ATOM 0 H ASP B 347 4.086 16.070 -5.166 1.00 64.45 H new ATOM 0 HA ASP B 347 4.236 18.420 -6.692 1.00 13.23 H new ATOM 0 HB2 ASP B 347 2.499 17.956 -5.000 1.00 11.14 H new ATOM 0 HB3 ASP B 347 3.704 17.987 -3.728 1.00 11.14 H new TER 2260 ASP B 347