USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 674 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 86 MET CE :methyl -134:sc= -5.99! (180deg=-10.7!) USER MOD Set 1.2: A 90 TYR OH : rot 166:sc= 0.875 USER MOD Set 2.1: A 68 HIS : no HD1:sc= -4.97! K(o=-4.2!,f=-0.76) USER MOD Set 2.2: A 69 THR OG1 : rot -20:sc= 0.793 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.15 (180deg=-0.0431) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -1.46 K(o=-1.5,f=-5.2!) USER MOD Single : A 7 ASN : amide:sc= -0.924 K(o=-0.92,f=-2.7!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.768 K(o=0.77,f=-6.4!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 31 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.8!) USER MOD Single : A 33 THR OG1 : rot 90:sc= -0.0276 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.52) USER MOD Single : A 38 ASN : amide:sc= 0.915 K(o=0.91,f=-6.8!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.719 K(o=-0.72,f=-4.9!) USER MOD Single : A 45 ASN : amide:sc= -0.84 K(o=-0.84,f=-3.5!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.733 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -152:sc= 0.5 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -139:sc= 0.13 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc=-0.00431 X(o=-0.0043,f=-0.012) USER MOD Single : A 84 SER OG : rot 40:sc= -0.765 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.12) USER MOD Single : A 94 ASN : amide:sc= -2.35! C(o=-2.4!,f=-4.5!) USER MOD Single : A 95 SER OG : rot -54:sc= 0.0935 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 4:sc= 0.403 USER MOD Single : A 106 ASN : amide:sc= -1.02 X(o=-1,f=-0.67) USER MOD Single : A 109 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-0.89) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -49:sc= 0.0906 USER MOD Single : A 114 SER OG : rot 180:sc= 0.111 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.475 0.529 -1.897 1.00 0.00 N ATOM 2 CA MET A 1 16.136 -0.911 -1.848 1.00 0.00 C ATOM 3 C MET A 1 14.711 -1.123 -2.334 1.00 0.00 C ATOM 4 O MET A 1 13.969 -0.161 -2.528 1.00 0.00 O ATOM 5 CB MET A 1 16.285 -1.451 -0.423 1.00 0.00 C ATOM 6 CG MET A 1 17.714 -1.454 0.092 1.00 0.00 C ATOM 7 SD MET A 1 17.840 -2.145 1.754 1.00 0.00 S ATOM 8 CE MET A 1 19.603 -2.019 2.044 1.00 0.00 C ATOM 0 H1 MET A 1 17.287 0.673 -2.530 1.00 0.00 H new ATOM 0 H2 MET A 1 15.659 1.066 -2.253 1.00 0.00 H new ATOM 0 H3 MET A 1 16.718 0.861 -0.942 1.00 0.00 H new ATOM 0 HA MET A 1 16.823 -1.452 -2.498 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.670 -0.851 0.248 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.896 -2.468 -0.389 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.342 -2.030 -0.588 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.099 -0.434 0.094 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.838 -2.408 3.035 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.138 -2.598 1.291 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.908 -0.974 1.983 1.00 0.00 H new ATOM 18 N GLN A 2 14.334 -2.375 -2.545 1.00 0.00 N ATOM 19 CA GLN A 2 12.991 -2.699 -3.012 1.00 0.00 C ATOM 20 C GLN A 2 12.419 -3.857 -2.207 1.00 0.00 C ATOM 21 O GLN A 2 13.088 -4.869 -1.996 1.00 0.00 O ATOM 22 CB GLN A 2 13.001 -3.067 -4.502 1.00 0.00 C ATOM 23 CG GLN A 2 13.577 -1.986 -5.403 1.00 0.00 C ATOM 24 CD GLN A 2 13.537 -2.368 -6.868 1.00 0.00 C ATOM 25 OE1 GLN A 2 12.572 -2.080 -7.572 1.00 0.00 O ATOM 26 NE2 GLN A 2 14.584 -3.031 -7.333 1.00 0.00 N ATOM 0 H GLN A 2 14.938 -3.184 -2.401 1.00 0.00 H new ATOM 0 HA GLN A 2 12.366 -1.817 -2.874 1.00 0.00 H new ATOM 0 HB2 GLN A 2 13.578 -3.982 -4.636 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.981 -3.284 -4.819 1.00 0.00 H new ATOM 0 HG2 GLN A 2 13.019 -1.061 -5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.608 -1.786 -5.111 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.365 -3.250 -6.714 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.610 -3.323 -8.310 1.00 0.00 H new ATOM 33 N CYS A 3 11.195 -3.687 -1.739 1.00 0.00 N ATOM 34 CA CYS A 3 10.520 -4.719 -0.964 1.00 0.00 C ATOM 35 C CYS A 3 9.741 -5.638 -1.896 1.00 0.00 C ATOM 36 O CYS A 3 9.890 -6.859 -1.839 1.00 0.00 O ATOM 37 CB CYS A 3 9.598 -4.080 0.070 1.00 0.00 C ATOM 38 SG CYS A 3 10.470 -3.117 1.347 1.00 0.00 S ATOM 0 H CYS A 3 10.644 -2.841 -1.882 1.00 0.00 H new ATOM 0 HA CYS A 3 11.262 -5.315 -0.433 1.00 0.00 H new ATOM 0 HB2 CYS A 3 8.891 -3.428 -0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 3 9.015 -4.863 0.555 1.00 0.00 H new ATOM 42 N ASN A 4 8.917 -5.034 -2.753 1.00 0.00 N ATOM 43 CA ASN A 4 8.128 -5.767 -3.744 1.00 0.00 C ATOM 44 C ASN A 4 7.320 -6.903 -3.120 1.00 0.00 C ATOM 45 O ASN A 4 7.661 -8.073 -3.300 1.00 0.00 O ATOM 46 CB ASN A 4 9.053 -6.341 -4.827 1.00 0.00 C ATOM 47 CG ASN A 4 9.765 -5.275 -5.643 1.00 0.00 C ATOM 48 OD1 ASN A 4 10.017 -4.168 -5.174 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.116 -5.615 -6.872 1.00 0.00 N ATOM 0 H ASN A 4 8.778 -4.024 -2.780 1.00 0.00 H new ATOM 0 HA ASN A 4 7.424 -5.058 -4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.797 -6.983 -4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.468 -6.970 -5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.613 -4.949 -7.463 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.890 -6.544 -7.228 1.00 0.00 H new ATOM 55 N PHE A 5 6.244 -6.575 -2.400 1.00 0.00 N ATOM 56 CA PHE A 5 5.415 -7.610 -1.778 1.00 0.00 C ATOM 57 C PHE A 5 4.866 -8.584 -2.827 1.00 0.00 C ATOM 58 O PHE A 5 4.802 -9.789 -2.601 1.00 0.00 O ATOM 59 CB PHE A 5 4.257 -6.980 -0.985 1.00 0.00 C ATOM 60 CG PHE A 5 3.134 -6.433 -1.831 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.364 -5.448 -2.784 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.844 -6.912 -1.672 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.328 -4.953 -3.555 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.806 -6.421 -2.440 1.00 0.00 C ATOM 65 CZ PHE A 5 1.049 -5.441 -3.381 1.00 0.00 C ATOM 0 H PHE A 5 5.930 -5.618 -2.235 1.00 0.00 H new ATOM 0 HA PHE A 5 6.048 -8.169 -1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.850 -7.730 -0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.654 -6.174 -0.368 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.364 -5.064 -2.924 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.647 -7.679 -0.938 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.519 -4.187 -4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.195 -6.804 -2.304 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.238 -5.056 -3.981 1.00 0.00 H new ATOM 74 N ALA A 6 4.526 -8.047 -3.996 1.00 0.00 N ATOM 75 CA ALA A 6 3.955 -8.828 -5.090 1.00 0.00 C ATOM 76 C ALA A 6 4.872 -9.960 -5.553 1.00 0.00 C ATOM 77 O ALA A 6 4.406 -10.937 -6.139 1.00 0.00 O ATOM 78 CB ALA A 6 3.625 -7.909 -6.255 1.00 0.00 C ATOM 0 H ALA A 6 4.639 -7.056 -4.212 1.00 0.00 H new ATOM 0 HA ALA A 6 3.046 -9.297 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.199 -8.494 -7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.905 -7.157 -5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.534 -7.416 -6.599 1.00 0.00 H new ATOM 84 N ASN A 7 6.165 -9.840 -5.283 1.00 0.00 N ATOM 85 CA ASN A 7 7.128 -10.863 -5.691 1.00 0.00 C ATOM 86 C ASN A 7 6.902 -12.169 -4.942 1.00 0.00 C ATOM 87 O ASN A 7 7.333 -13.233 -5.389 1.00 0.00 O ATOM 88 CB ASN A 7 8.566 -10.387 -5.463 1.00 0.00 C ATOM 89 CG ASN A 7 9.034 -9.390 -6.508 1.00 0.00 C ATOM 90 OD1 ASN A 7 8.243 -8.621 -7.059 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.326 -9.398 -6.790 1.00 0.00 N ATOM 0 H ASN A 7 6.574 -9.049 -4.785 1.00 0.00 H new ATOM 0 HA ASN A 7 6.975 -11.039 -6.756 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.640 -9.931 -4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.233 -11.249 -5.467 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.700 -8.752 -7.485 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.948 -10.050 -6.312 1.00 0.00 H new ATOM 97 N SER A 8 6.225 -12.094 -3.807 1.00 0.00 N ATOM 98 CA SER A 8 5.958 -13.280 -3.011 1.00 0.00 C ATOM 99 C SER A 8 4.508 -13.308 -2.529 1.00 0.00 C ATOM 100 O SER A 8 4.161 -14.059 -1.622 1.00 0.00 O ATOM 101 CB SER A 8 6.917 -13.326 -1.818 1.00 0.00 C ATOM 102 OG SER A 8 8.270 -13.212 -2.241 1.00 0.00 O ATOM 0 H SER A 8 5.852 -11.228 -3.418 1.00 0.00 H new ATOM 0 HA SER A 8 6.117 -14.158 -3.636 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.680 -12.518 -1.126 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.781 -14.261 -1.274 1.00 0.00 H new ATOM 0 HG SER A 8 8.861 -13.243 -1.460 1.00 0.00 H new ATOM 107 N CYS A 9 3.664 -12.500 -3.153 1.00 0.00 N ATOM 108 CA CYS A 9 2.255 -12.424 -2.781 1.00 0.00 C ATOM 109 C CYS A 9 1.364 -12.693 -3.984 1.00 0.00 C ATOM 110 O CYS A 9 1.621 -12.199 -5.083 1.00 0.00 O ATOM 111 CB CYS A 9 1.943 -11.052 -2.186 1.00 0.00 C ATOM 112 SG CYS A 9 2.779 -10.720 -0.599 1.00 0.00 S ATOM 0 H CYS A 9 3.929 -11.885 -3.922 1.00 0.00 H new ATOM 0 HA CYS A 9 2.054 -13.189 -2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.230 -10.283 -2.903 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.866 -10.967 -2.042 1.00 0.00 H new ATOM 116 N THR A 10 0.321 -13.483 -3.775 1.00 0.00 N ATOM 117 CA THR A 10 -0.605 -13.828 -4.838 1.00 0.00 C ATOM 118 C THR A 10 -2.051 -13.667 -4.386 1.00 0.00 C ATOM 119 O THR A 10 -2.367 -13.858 -3.212 1.00 0.00 O ATOM 120 CB THR A 10 -0.389 -15.279 -5.312 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.316 -16.164 -4.182 1.00 0.00 O ATOM 122 CG2 THR A 10 0.880 -15.398 -6.139 1.00 0.00 C ATOM 0 H THR A 10 0.096 -13.899 -2.871 1.00 0.00 H new ATOM 0 HA THR A 10 -0.409 -13.144 -5.664 1.00 0.00 H new ATOM 0 HB THR A 10 -1.237 -15.560 -5.937 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.180 -17.083 -4.494 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.009 -16.431 -6.461 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.806 -14.752 -7.014 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.737 -15.096 -5.536 1.00 0.00 H new ATOM 130 N GLY A 11 -2.912 -13.301 -5.325 1.00 0.00 N ATOM 131 CA GLY A 11 -4.324 -13.133 -5.028 1.00 0.00 C ATOM 132 C GLY A 11 -4.595 -11.951 -4.121 1.00 0.00 C ATOM 133 O GLY A 11 -5.388 -12.048 -3.185 1.00 0.00 O ATOM 0 H GLY A 11 -2.657 -13.116 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.874 -13.004 -5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.702 -14.041 -4.558 1.00 0.00 H new ATOM 137 N VAL A 12 -3.934 -10.836 -4.395 1.00 0.00 N ATOM 138 CA VAL A 12 -4.107 -9.632 -3.596 1.00 0.00 C ATOM 139 C VAL A 12 -5.348 -8.853 -4.020 1.00 0.00 C ATOM 140 O VAL A 12 -5.472 -8.415 -5.166 1.00 0.00 O ATOM 141 CB VAL A 12 -2.863 -8.723 -3.660 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.772 -9.270 -2.756 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.352 -8.596 -5.086 1.00 0.00 C ATOM 0 H VAL A 12 -3.272 -10.740 -5.165 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.240 -9.956 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.147 -7.729 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.897 -8.621 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.135 -9.308 -1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.499 -10.274 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.474 -7.950 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.083 -9.582 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.131 -8.165 -5.715 1.00 0.00 H new ATOM 153 N GLU A 13 -6.268 -8.694 -3.083 1.00 0.00 N ATOM 154 CA GLU A 13 -7.513 -7.984 -3.337 1.00 0.00 C ATOM 155 C GLU A 13 -7.610 -6.735 -2.468 1.00 0.00 C ATOM 156 O GLU A 13 -7.341 -6.784 -1.265 1.00 0.00 O ATOM 157 CB GLU A 13 -8.703 -8.903 -3.067 1.00 0.00 C ATOM 158 CG GLU A 13 -8.670 -10.184 -3.882 1.00 0.00 C ATOM 159 CD GLU A 13 -9.830 -11.105 -3.573 1.00 0.00 C ATOM 160 OE1 GLU A 13 -9.834 -11.719 -2.491 1.00 0.00 O ATOM 161 OE2 GLU A 13 -10.739 -11.230 -4.421 1.00 0.00 O ATOM 0 H GLU A 13 -6.176 -9.050 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.527 -7.677 -4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.725 -9.156 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.625 -8.365 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.682 -9.935 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.734 -10.708 -3.689 1.00 0.00 H new ATOM 166 N LEU A 14 -7.986 -5.621 -3.083 1.00 0.00 N ATOM 167 CA LEU A 14 -8.115 -4.358 -2.370 1.00 0.00 C ATOM 168 C LEU A 14 -9.579 -3.966 -2.203 1.00 0.00 C ATOM 169 O LEU A 14 -10.309 -3.818 -3.180 1.00 0.00 O ATOM 170 CB LEU A 14 -7.355 -3.257 -3.116 1.00 0.00 C ATOM 171 CG LEU A 14 -7.492 -1.844 -2.536 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.076 -1.806 -1.073 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.660 -0.878 -3.336 1.00 0.00 C ATOM 0 H LEU A 14 -8.207 -5.567 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.685 -4.482 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.298 -3.521 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.699 -3.240 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.541 -1.552 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.184 -0.791 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.709 -2.481 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.036 -2.119 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.763 0.123 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.614 -1.181 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.000 -0.875 -4.371 1.00 0.00 H new ATOM 184 N TYR A 15 -9.999 -3.810 -0.956 1.00 0.00 N ATOM 185 CA TYR A 15 -11.370 -3.423 -0.652 1.00 0.00 C ATOM 186 C TYR A 15 -11.396 -2.173 0.217 1.00 0.00 C ATOM 187 O TYR A 15 -11.091 -2.231 1.407 1.00 0.00 O ATOM 188 CB TYR A 15 -12.110 -4.562 0.053 1.00 0.00 C ATOM 189 CG TYR A 15 -12.339 -5.769 -0.826 1.00 0.00 C ATOM 190 CD1 TYR A 15 -13.329 -5.759 -1.798 1.00 0.00 C ATOM 191 CD2 TYR A 15 -11.572 -6.919 -0.680 1.00 0.00 C ATOM 192 CE1 TYR A 15 -13.547 -6.856 -2.604 1.00 0.00 C ATOM 193 CE2 TYR A 15 -11.784 -8.023 -1.484 1.00 0.00 C ATOM 194 CZ TYR A 15 -12.774 -7.986 -2.442 1.00 0.00 C ATOM 195 OH TYR A 15 -12.996 -9.084 -3.243 1.00 0.00 O ATOM 0 H TYR A 15 -9.408 -3.946 -0.136 1.00 0.00 H new ATOM 0 HA TYR A 15 -11.874 -3.207 -1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.540 -4.865 0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.072 -4.194 0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.939 -4.877 -1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.799 -6.950 0.073 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -14.319 -6.830 -3.358 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.178 -8.909 -1.362 1.00 0.00 H new ATOM 0 HH TYR A 15 -12.367 -9.796 -3.003 1.00 0.00 H new ATOM 204 N GLY A 16 -11.741 -1.043 -0.385 1.00 0.00 N ATOM 205 CA GLY A 16 -11.806 0.208 0.351 1.00 0.00 C ATOM 206 C GLY A 16 -10.432 0.780 0.647 1.00 0.00 C ATOM 207 O GLY A 16 -10.069 1.835 0.132 1.00 0.00 O ATOM 0 H GLY A 16 -11.978 -0.968 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.382 0.934 -0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.339 0.047 1.288 1.00 0.00 H new ATOM 211 N TYR A 17 -9.683 0.083 1.486 1.00 0.00 N ATOM 212 CA TYR A 17 -8.338 0.496 1.871 1.00 0.00 C ATOM 213 C TYR A 17 -7.574 -0.651 2.528 1.00 0.00 C ATOM 214 O TYR A 17 -6.574 -0.430 3.221 1.00 0.00 O ATOM 215 CB TYR A 17 -8.382 1.707 2.812 1.00 0.00 C ATOM 216 CG TYR A 17 -9.465 1.647 3.876 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.325 0.847 5.005 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.628 2.399 3.749 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.311 0.797 5.972 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.617 2.354 4.713 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.454 1.552 5.822 1.00 0.00 C ATOM 222 OH TYR A 17 -12.438 1.505 6.783 1.00 0.00 O ATOM 0 H TYR A 17 -9.989 -0.787 1.922 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.812 0.782 0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.414 1.803 3.304 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.527 2.608 2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.430 0.255 5.128 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.760 3.029 2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.186 0.169 6.842 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.514 2.945 4.598 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.176 2.097 6.525 1.00 0.00 H new ATOM 231 N ILE A 18 -8.044 -1.875 2.311 1.00 0.00 N ATOM 232 CA ILE A 18 -7.405 -3.056 2.869 1.00 0.00 C ATOM 233 C ILE A 18 -7.010 -4.013 1.755 1.00 0.00 C ATOM 234 O ILE A 18 -7.792 -4.275 0.841 1.00 0.00 O ATOM 235 CB ILE A 18 -8.299 -3.797 3.890 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.654 -4.164 3.275 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.487 -2.950 5.139 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.548 -4.966 4.198 1.00 0.00 C ATOM 0 H ILE A 18 -8.871 -2.073 1.748 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.519 -2.710 3.402 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.799 -4.724 4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.172 -3.249 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.485 -4.735 2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.118 -3.484 5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.516 -2.752 5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.961 -2.006 4.870 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.488 -5.187 3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.052 -5.899 4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.749 -4.390 5.101 1.00 0.00 H new ATOM 249 N LEU A 19 -5.794 -4.511 1.835 1.00 0.00 N ATOM 250 CA LEU A 19 -5.268 -5.427 0.842 1.00 0.00 C ATOM 251 C LEU A 19 -5.032 -6.792 1.459 1.00 0.00 C ATOM 252 O LEU A 19 -4.187 -6.942 2.333 1.00 0.00 O ATOM 253 CB LEU A 19 -3.954 -4.880 0.297 1.00 0.00 C ATOM 254 CG LEU A 19 -3.955 -4.494 -1.179 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.645 -3.812 -1.534 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.171 -5.722 -2.047 1.00 0.00 C ATOM 0 H LEU A 19 -5.142 -4.293 2.589 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.991 -5.527 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.677 -4.003 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.177 -5.628 0.457 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.774 -3.799 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.651 -3.539 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.526 -2.914 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.816 -4.493 -1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.169 -5.430 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.370 -6.439 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.129 -6.179 -1.799 1.00 0.00 H new ATOM 267 N ARG A 20 -5.771 -7.784 1.012 1.00 0.00 N ATOM 268 CA ARG A 20 -5.610 -9.124 1.539 1.00 0.00 C ATOM 269 C ARG A 20 -5.172 -10.063 0.429 1.00 0.00 C ATOM 270 O ARG A 20 -5.633 -9.948 -0.705 1.00 0.00 O ATOM 271 CB ARG A 20 -6.909 -9.633 2.164 1.00 0.00 C ATOM 272 CG ARG A 20 -6.718 -10.900 2.984 1.00 0.00 C ATOM 273 CD ARG A 20 -7.737 -11.961 2.614 1.00 0.00 C ATOM 274 NE ARG A 20 -7.668 -13.119 3.505 1.00 0.00 N ATOM 275 CZ ARG A 20 -8.279 -14.277 3.269 1.00 0.00 C ATOM 276 NH1 ARG A 20 -9.015 -14.434 2.175 1.00 0.00 N ATOM 277 NH2 ARG A 20 -8.158 -15.273 4.134 1.00 0.00 N ATOM 0 H ARG A 20 -6.485 -7.691 0.290 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.847 -9.094 2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.329 -8.854 2.801 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.635 -9.824 1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.712 -11.289 2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.805 -10.665 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.738 -11.532 2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.569 -12.283 1.586 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.118 -13.033 4.360 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.113 -13.665 1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.482 -15.323 1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.598 -15.151 4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.625 -16.162 3.956 1.00 0.00 H new ATOM 288 N GLY A 21 -4.277 -10.974 0.754 1.00 0.00 N ATOM 289 CA GLY A 21 -3.807 -11.924 -0.231 1.00 0.00 C ATOM 290 C GLY A 21 -2.999 -13.039 0.389 1.00 0.00 C ATOM 291 O GLY A 21 -2.881 -13.118 1.611 1.00 0.00 O ATOM 0 H GLY A 21 -3.865 -11.076 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.661 -12.348 -0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.198 -11.405 -0.971 1.00 0.00 H new ATOM 295 N ASP A 22 -2.431 -13.892 -0.448 1.00 0.00 N ATOM 296 CA ASP A 22 -1.638 -15.015 0.020 1.00 0.00 C ATOM 297 C ASP A 22 -0.171 -14.792 -0.282 1.00 0.00 C ATOM 298 O ASP A 22 0.247 -14.854 -1.439 1.00 0.00 O ATOM 299 CB ASP A 22 -2.095 -16.317 -0.641 1.00 0.00 C ATOM 300 CG ASP A 22 -3.377 -16.863 -0.047 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.314 -17.492 1.029 1.00 0.00 O ATOM 302 OD2 ASP A 22 -4.448 -16.683 -0.663 1.00 0.00 O ATOM 0 H ASP A 22 -2.506 -13.826 -1.463 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.778 -15.094 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.239 -16.146 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.308 -17.064 -0.542 1.00 0.00 H new ATOM 306 N CYS A 23 0.610 -14.536 0.747 1.00 0.00 N ATOM 307 CA CYS A 23 2.028 -14.309 0.573 1.00 0.00 C ATOM 308 C CYS A 23 2.812 -15.514 1.075 1.00 0.00 C ATOM 309 O CYS A 23 2.571 -16.008 2.173 1.00 0.00 O ATOM 310 CB CYS A 23 2.439 -13.048 1.326 1.00 0.00 C ATOM 311 SG CYS A 23 1.551 -11.549 0.786 1.00 0.00 S ATOM 0 H CYS A 23 0.286 -14.480 1.713 1.00 0.00 H new ATOM 0 HA CYS A 23 2.248 -14.173 -0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.265 -13.199 2.391 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.510 -12.891 1.197 1.00 0.00 H new ATOM 315 N ILE A 24 3.756 -15.971 0.270 1.00 0.00 N ATOM 316 CA ILE A 24 4.564 -17.135 0.605 1.00 0.00 C ATOM 317 C ILE A 24 5.488 -16.833 1.777 1.00 0.00 C ATOM 318 O ILE A 24 6.023 -15.731 1.884 1.00 0.00 O ATOM 319 CB ILE A 24 5.406 -17.588 -0.610 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.493 -17.871 -1.808 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.235 -18.817 -0.270 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.231 -18.334 -3.047 1.00 0.00 C ATOM 0 H ILE A 24 3.985 -15.549 -0.630 1.00 0.00 H new ATOM 0 HA ILE A 24 3.884 -17.939 0.886 1.00 0.00 H new ATOM 0 HB ILE A 24 6.092 -16.782 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.765 -18.631 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.933 -16.967 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.818 -19.115 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.909 -18.585 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.573 -19.633 0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.516 -18.513 -3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.940 -17.566 -3.357 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.769 -19.256 -2.827 1.00 0.00 H new ATOM 333 N ASN A 25 5.646 -17.804 2.665 1.00 0.00 N ATOM 334 CA ASN A 25 6.513 -17.636 3.819 1.00 0.00 C ATOM 335 C ASN A 25 7.764 -18.490 3.659 1.00 0.00 C ATOM 336 O ASN A 25 7.954 -19.111 2.611 1.00 0.00 O ATOM 337 CB ASN A 25 5.771 -17.990 5.119 1.00 0.00 C ATOM 338 CG ASN A 25 5.663 -19.478 5.375 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.494 -20.059 6.068 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.640 -20.100 4.826 1.00 0.00 N ATOM 0 H ASN A 25 5.186 -18.713 2.608 1.00 0.00 H new ATOM 0 HA ASN A 25 6.811 -16.589 3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.285 -17.523 5.959 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.769 -17.563 5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.515 -21.102 4.970 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.972 -19.580 4.257 1.00 0.00 H new ATOM 346 N GLU A 26 8.604 -18.519 4.684 1.00 0.00 N ATOM 347 CA GLU A 26 9.843 -19.295 4.667 1.00 0.00 C ATOM 348 C GLU A 26 9.605 -20.747 4.238 1.00 0.00 C ATOM 349 O GLU A 26 10.419 -21.338 3.528 1.00 0.00 O ATOM 350 CB GLU A 26 10.475 -19.258 6.058 1.00 0.00 C ATOM 351 CG GLU A 26 11.686 -20.155 6.208 1.00 0.00 C ATOM 352 CD GLU A 26 12.276 -20.090 7.594 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.857 -20.884 8.462 1.00 0.00 O ATOM 354 OE2 GLU A 26 13.158 -19.240 7.826 1.00 0.00 O ATOM 0 H GLU A 26 8.449 -18.006 5.552 1.00 0.00 H new ATOM 0 HA GLU A 26 10.515 -18.847 3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.765 -18.232 6.287 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.726 -19.550 6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.404 -21.184 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.443 -19.865 5.479 1.00 0.00 H new ATOM 359 N ASP A 27 8.474 -21.296 4.661 1.00 0.00 N ATOM 360 CA ASP A 27 8.096 -22.674 4.349 1.00 0.00 C ATOM 361 C ASP A 27 7.997 -22.908 2.843 1.00 0.00 C ATOM 362 O ASP A 27 8.159 -24.029 2.366 1.00 0.00 O ATOM 363 CB ASP A 27 6.757 -22.998 5.013 1.00 0.00 C ATOM 364 CG ASP A 27 6.335 -24.441 4.830 1.00 0.00 C ATOM 365 OD1 ASP A 27 7.019 -25.341 5.368 1.00 0.00 O ATOM 366 OD2 ASP A 27 5.314 -24.684 4.151 1.00 0.00 O ATOM 0 H ASP A 27 7.789 -20.800 5.232 1.00 0.00 H new ATOM 0 HA ASP A 27 8.874 -23.332 4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.824 -22.778 6.078 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.987 -22.346 4.601 1.00 0.00 H new ATOM 370 N GLY A 28 7.740 -21.845 2.097 1.00 0.00 N ATOM 371 CA GLY A 28 7.615 -21.962 0.659 1.00 0.00 C ATOM 372 C GLY A 28 6.168 -22.081 0.240 1.00 0.00 C ATOM 373 O GLY A 28 5.858 -22.285 -0.933 1.00 0.00 O ATOM 0 H GLY A 28 7.615 -20.901 2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.063 -21.091 0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.168 -22.835 0.314 1.00 0.00 H new ATOM 377 N HIS A 29 5.283 -21.957 1.217 1.00 0.00 N ATOM 378 CA HIS A 29 3.848 -22.039 0.984 1.00 0.00 C ATOM 379 C HIS A 29 3.196 -20.683 1.239 1.00 0.00 C ATOM 380 O HIS A 29 3.658 -19.916 2.087 1.00 0.00 O ATOM 381 CB HIS A 29 3.223 -23.111 1.884 1.00 0.00 C ATOM 382 CG HIS A 29 3.462 -24.512 1.407 1.00 0.00 C ATOM 383 ND1 HIS A 29 2.440 -25.393 1.134 1.00 0.00 N ATOM 384 CD2 HIS A 29 4.611 -25.186 1.154 1.00 0.00 C ATOM 385 CE1 HIS A 29 2.944 -26.543 0.733 1.00 0.00 C ATOM 386 NE2 HIS A 29 4.259 -26.444 0.737 1.00 0.00 N ATOM 0 H HIS A 29 5.538 -21.797 2.192 1.00 0.00 H new ATOM 0 HA HIS A 29 3.677 -22.318 -0.056 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.625 -23.006 2.892 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.149 -22.937 1.949 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.615 -24.804 1.261 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.377 -27.417 0.450 1.00 0.00 H new ATOM 0 HE2 HIS A 29 4.909 -27.184 0.473 1.00 0.00 H new ATOM 394 N PRO A 30 2.134 -20.364 0.486 1.00 0.00 N ATOM 395 CA PRO A 30 1.417 -19.094 0.619 1.00 0.00 C ATOM 396 C PRO A 30 0.587 -19.011 1.899 1.00 0.00 C ATOM 397 O PRO A 30 -0.132 -19.946 2.255 1.00 0.00 O ATOM 398 CB PRO A 30 0.509 -19.068 -0.613 1.00 0.00 C ATOM 399 CG PRO A 30 0.296 -20.500 -0.964 1.00 0.00 C ATOM 400 CD PRO A 30 1.555 -21.220 -0.570 1.00 0.00 C ATOM 0 HA PRO A 30 2.103 -18.249 0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.436 -18.570 -0.397 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.975 -18.525 -1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.566 -20.906 -0.435 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.099 -20.614 -2.030 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.343 -22.223 -0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.235 -21.328 -1.415 1.00 0.00 H new ATOM 405 N HIS A 31 0.703 -17.885 2.582 1.00 0.00 N ATOM 406 CA HIS A 31 -0.022 -17.636 3.815 1.00 0.00 C ATOM 407 C HIS A 31 -0.878 -16.380 3.662 1.00 0.00 C ATOM 408 O HIS A 31 -0.390 -15.341 3.215 1.00 0.00 O ATOM 409 CB HIS A 31 0.963 -17.473 4.980 1.00 0.00 C ATOM 410 CG HIS A 31 0.323 -17.098 6.285 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.602 -15.923 6.945 1.00 0.00 N ATOM 412 CD2 HIS A 31 -0.580 -17.751 7.054 1.00 0.00 C ATOM 413 CE1 HIS A 31 -0.097 -15.869 8.061 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.825 -16.964 8.152 1.00 0.00 N ATOM 0 H HIS A 31 1.306 -17.114 2.295 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.673 -18.484 4.028 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.509 -18.407 5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.696 -16.710 4.716 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.250 -15.205 6.621 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.025 -18.712 6.843 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.077 -15.063 8.780 1.00 0.00 H new ATOM 422 N ALA A 32 -2.148 -16.487 4.025 1.00 0.00 N ATOM 423 CA ALA A 32 -3.073 -15.366 3.924 1.00 0.00 C ATOM 424 C ALA A 32 -2.685 -14.238 4.877 1.00 0.00 C ATOM 425 O ALA A 32 -2.442 -14.464 6.063 1.00 0.00 O ATOM 426 CB ALA A 32 -4.494 -15.829 4.202 1.00 0.00 C ATOM 0 H ALA A 32 -2.563 -17.342 4.394 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.020 -14.977 2.907 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.175 -14.981 4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.777 -16.591 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.550 -16.247 5.207 1.00 0.00 H new ATOM 432 N THR A 33 -2.610 -13.032 4.338 1.00 0.00 N ATOM 433 CA THR A 33 -2.260 -11.849 5.109 1.00 0.00 C ATOM 434 C THR A 33 -3.051 -10.649 4.599 1.00 0.00 C ATOM 435 O THR A 33 -3.556 -10.666 3.474 1.00 0.00 O ATOM 436 CB THR A 33 -0.743 -11.557 5.027 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.402 -10.401 5.809 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.316 -11.334 3.585 1.00 0.00 C ATOM 0 H THR A 33 -2.790 -12.845 3.352 1.00 0.00 H new ATOM 0 HA THR A 33 -2.512 -12.034 6.153 1.00 0.00 H new ATOM 0 HB THR A 33 -0.217 -12.424 5.426 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.182 -10.678 6.723 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.754 -11.130 3.550 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.535 -12.226 2.999 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.861 -10.485 3.171 1.00 0.00 H new ATOM 446 N SER A 34 -3.162 -9.619 5.418 1.00 0.00 N ATOM 447 CA SER A 34 -3.896 -8.428 5.039 1.00 0.00 C ATOM 448 C SER A 34 -3.175 -7.183 5.515 1.00 0.00 C ATOM 449 O SER A 34 -2.639 -7.162 6.620 1.00 0.00 O ATOM 450 CB SER A 34 -5.293 -8.469 5.637 1.00 0.00 C ATOM 451 OG SER A 34 -5.238 -8.576 7.051 1.00 0.00 O ATOM 0 H SER A 34 -2.752 -9.584 6.351 1.00 0.00 H new ATOM 0 HA SER A 34 -3.967 -8.398 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.838 -7.568 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.844 -9.315 5.226 1.00 0.00 H new ATOM 0 HG SER A 34 -6.148 -8.599 7.413 1.00 0.00 H new ATOM 456 N ILE A 35 -3.163 -6.154 4.684 1.00 0.00 N ATOM 457 CA ILE A 35 -2.511 -4.909 5.033 1.00 0.00 C ATOM 458 C ILE A 35 -3.490 -3.745 4.916 1.00 0.00 C ATOM 459 O ILE A 35 -4.351 -3.733 4.035 1.00 0.00 O ATOM 460 CB ILE A 35 -1.285 -4.607 4.132 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.436 -5.857 3.896 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.426 -3.511 4.745 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.794 -6.611 2.630 1.00 0.00 C ATOM 0 H ILE A 35 -3.599 -6.159 3.762 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.166 -5.021 6.061 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.667 -4.268 3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.614 -5.568 3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.546 -6.526 4.749 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.429 -3.314 4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.018 -2.602 4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.073 -3.831 5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.149 -7.484 2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.834 -6.932 2.680 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.656 -5.959 1.767 1.00 0.00 H new ATOM 474 N ASN A 36 -3.354 -2.769 5.798 1.00 0.00 N ATOM 475 CA ASN A 36 -4.222 -1.598 5.780 1.00 0.00 C ATOM 476 C ASN A 36 -3.464 -0.423 5.169 1.00 0.00 C ATOM 477 O ASN A 36 -2.794 0.330 5.873 1.00 0.00 O ATOM 478 CB ASN A 36 -4.681 -1.252 7.199 1.00 0.00 C ATOM 479 CG ASN A 36 -6.079 -0.661 7.248 1.00 0.00 C ATOM 480 OD1 ASN A 36 -6.786 -0.810 8.241 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.501 -0.005 6.178 1.00 0.00 N ATOM 0 H ASN A 36 -2.651 -2.762 6.537 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.106 -1.813 5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.652 -2.152 7.813 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.979 -0.544 7.639 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.439 0.395 6.162 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.888 0.101 5.370 1.00 0.00 H new ATOM 487 N LEU A 37 -3.594 -0.265 3.853 1.00 0.00 N ATOM 488 CA LEU A 37 -2.895 0.789 3.112 1.00 0.00 C ATOM 489 C LEU A 37 -3.237 2.178 3.633 1.00 0.00 C ATOM 490 O LEU A 37 -2.444 3.106 3.498 1.00 0.00 O ATOM 491 CB LEU A 37 -3.225 0.742 1.610 1.00 0.00 C ATOM 492 CG LEU A 37 -2.954 -0.579 0.879 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.673 -1.234 1.376 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.141 -1.514 1.015 1.00 0.00 C ATOM 0 H LEU A 37 -4.183 -0.860 3.271 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.832 0.600 3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.280 0.987 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.655 1.527 1.113 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.815 -0.359 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.510 -2.168 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.831 -0.564 1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.760 -1.440 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.932 -2.446 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.320 -1.723 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.025 -1.045 0.583 1.00 0.00 H new ATOM 505 N ASN A 38 -4.414 2.318 4.229 1.00 0.00 N ATOM 506 CA ASN A 38 -4.859 3.609 4.748 1.00 0.00 C ATOM 507 C ASN A 38 -3.904 4.167 5.800 1.00 0.00 C ATOM 508 O ASN A 38 -3.887 5.362 6.058 1.00 0.00 O ATOM 509 CB ASN A 38 -6.270 3.498 5.324 1.00 0.00 C ATOM 510 CG ASN A 38 -6.976 4.840 5.350 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.612 5.751 4.613 1.00 0.00 O ATOM 512 ND2 ASN A 38 -8.011 4.961 6.161 1.00 0.00 N ATOM 0 H ASN A 38 -5.078 1.556 4.366 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.867 4.306 3.910 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.851 2.793 4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.219 3.095 6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.538 5.834 6.189 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.284 4.181 6.759 1.00 0.00 H new ATOM 518 N TYR A 39 -3.096 3.304 6.394 1.00 0.00 N ATOM 519 CA TYR A 39 -2.149 3.743 7.404 1.00 0.00 C ATOM 520 C TYR A 39 -0.724 3.762 6.861 1.00 0.00 C ATOM 521 O TYR A 39 0.226 3.971 7.613 1.00 0.00 O ATOM 522 CB TYR A 39 -2.225 2.833 8.631 1.00 0.00 C ATOM 523 CG TYR A 39 -3.568 2.866 9.324 1.00 0.00 C ATOM 524 CD1 TYR A 39 -3.935 3.950 10.106 1.00 0.00 C ATOM 525 CD2 TYR A 39 -4.464 1.814 9.202 1.00 0.00 C ATOM 526 CE1 TYR A 39 -5.159 3.989 10.745 1.00 0.00 C ATOM 527 CE2 TYR A 39 -5.692 1.845 9.837 1.00 0.00 C ATOM 528 CZ TYR A 39 -6.033 2.933 10.609 1.00 0.00 C ATOM 529 OH TYR A 39 -7.255 2.966 11.244 1.00 0.00 O ATOM 0 H TYR A 39 -3.077 2.304 6.196 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.417 4.760 7.690 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.006 1.809 8.328 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.452 3.128 9.340 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.252 4.779 10.218 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.198 0.957 8.601 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.429 4.843 11.348 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.380 1.020 9.728 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.750 2.144 11.043 1.00 0.00 H new ATOM 538 N TYR A 40 -0.571 3.553 5.555 1.00 0.00 N ATOM 539 CA TYR A 40 0.762 3.534 4.950 1.00 0.00 C ATOM 540 C TYR A 40 0.867 4.446 3.732 1.00 0.00 C ATOM 541 O TYR A 40 1.953 4.921 3.406 1.00 0.00 O ATOM 542 CB TYR A 40 1.165 2.099 4.592 1.00 0.00 C ATOM 543 CG TYR A 40 1.158 1.173 5.789 1.00 0.00 C ATOM 544 CD1 TYR A 40 1.952 1.445 6.898 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.339 0.052 5.826 1.00 0.00 C ATOM 546 CE1 TYR A 40 1.934 0.623 8.006 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.310 -0.773 6.936 1.00 0.00 C ATOM 548 CZ TYR A 40 1.111 -0.480 8.025 1.00 0.00 C ATOM 549 OH TYR A 40 1.085 -1.293 9.135 1.00 0.00 O ATOM 0 H TYR A 40 -1.339 3.397 4.903 1.00 0.00 H new ATOM 0 HA TYR A 40 1.457 3.925 5.693 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.482 1.713 3.835 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.161 2.106 4.149 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.593 2.314 6.892 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.285 -0.179 4.975 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.563 0.844 8.855 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.334 -1.640 6.952 1.00 0.00 H new ATOM 0 HH TYR A 40 0.452 -2.026 8.989 1.00 0.00 H new ATOM 558 N ILE A 41 -0.252 4.700 3.075 1.00 0.00 N ATOM 559 CA ILE A 41 -0.271 5.564 1.904 1.00 0.00 C ATOM 560 C ILE A 41 -0.935 6.892 2.245 1.00 0.00 C ATOM 561 O ILE A 41 -1.920 6.927 2.988 1.00 0.00 O ATOM 562 CB ILE A 41 -1.019 4.908 0.724 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.144 3.871 0.015 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.491 5.958 -0.267 1.00 0.00 C ATOM 565 CD1 ILE A 41 0.001 2.567 0.766 1.00 0.00 C ATOM 0 H ILE A 41 -1.163 4.319 3.333 1.00 0.00 H new ATOM 0 HA ILE A 41 0.763 5.731 1.603 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.889 4.396 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.567 3.666 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.846 4.297 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.015 5.472 -1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.165 6.653 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.631 6.503 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.635 1.888 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.454 2.756 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.981 2.116 0.904 1.00 0.00 H new ATOM 576 N GLY A 42 -0.395 7.985 1.720 1.00 0.00 N ATOM 577 CA GLY A 42 -0.965 9.284 2.007 1.00 0.00 C ATOM 578 C GLY A 42 -1.622 9.925 0.807 1.00 0.00 C ATOM 579 O GLY A 42 -1.402 9.516 -0.334 1.00 0.00 O ATOM 0 H GLY A 42 0.420 7.994 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.701 9.182 2.805 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.181 9.943 2.379 1.00 0.00 H new ATOM 583 N ASN A 43 -2.420 10.941 1.082 1.00 0.00 N ATOM 584 CA ASN A 43 -3.144 11.669 0.051 1.00 0.00 C ATOM 585 C ASN A 43 -2.624 13.098 -0.045 1.00 0.00 C ATOM 586 O ASN A 43 -2.838 13.911 0.861 1.00 0.00 O ATOM 587 CB ASN A 43 -4.648 11.665 0.364 1.00 0.00 C ATOM 588 CG ASN A 43 -5.454 12.576 -0.545 1.00 0.00 C ATOM 589 OD1 ASN A 43 -5.084 12.830 -1.690 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.574 13.069 -0.034 1.00 0.00 N ATOM 0 H ASN A 43 -2.586 11.286 2.027 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.986 11.177 -0.909 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.028 10.647 0.275 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.797 11.972 1.399 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.164 13.683 -0.596 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.846 12.834 0.921 1.00 0.00 H new ATOM 596 N ASP A 44 -1.908 13.383 -1.124 1.00 0.00 N ATOM 597 CA ASP A 44 -1.360 14.713 -1.354 1.00 0.00 C ATOM 598 C ASP A 44 -2.071 15.383 -2.519 1.00 0.00 C ATOM 599 O ASP A 44 -1.918 14.970 -3.668 1.00 0.00 O ATOM 600 CB ASP A 44 0.143 14.649 -1.636 1.00 0.00 C ATOM 601 CG ASP A 44 0.740 16.028 -1.863 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.117 16.684 -0.866 1.00 0.00 O ATOM 603 OD2 ASP A 44 0.836 16.463 -3.028 1.00 0.00 O ATOM 0 H ASP A 44 -1.692 12.707 -1.857 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.518 15.300 -0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.649 14.169 -0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.321 14.028 -2.514 1.00 0.00 H new ATOM 607 N ASN A 45 -2.879 16.390 -2.204 1.00 0.00 N ATOM 608 CA ASN A 45 -3.620 17.143 -3.214 1.00 0.00 C ATOM 609 C ASN A 45 -4.452 16.237 -4.111 1.00 0.00 C ATOM 610 O ASN A 45 -4.542 16.454 -5.322 1.00 0.00 O ATOM 611 CB ASN A 45 -2.668 17.979 -4.066 1.00 0.00 C ATOM 612 CG ASN A 45 -2.378 19.334 -3.463 1.00 0.00 C ATOM 613 OD1 ASN A 45 -3.203 19.899 -2.741 1.00 0.00 O ATOM 614 ND2 ASN A 45 -1.215 19.873 -3.770 1.00 0.00 N ATOM 0 H ASN A 45 -3.039 16.707 -1.248 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.304 17.802 -2.680 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.732 17.436 -4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.098 18.113 -5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.968 20.793 -3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.562 19.370 -4.371 1.00 0.00 H new ATOM 620 N GLY A 46 -5.052 15.219 -3.523 1.00 0.00 N ATOM 621 CA GLY A 46 -5.877 14.317 -4.292 1.00 0.00 C ATOM 622 C GLY A 46 -5.074 13.281 -5.052 1.00 0.00 C ATOM 623 O GLY A 46 -5.569 12.685 -6.007 1.00 0.00 O ATOM 0 H GLY A 46 -4.983 15.001 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.572 13.810 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.476 14.893 -4.997 1.00 0.00 H new ATOM 627 N ARG A 47 -3.834 13.071 -4.639 1.00 0.00 N ATOM 628 CA ARG A 47 -2.961 12.107 -5.295 1.00 0.00 C ATOM 629 C ARG A 47 -2.433 11.085 -4.304 1.00 0.00 C ATOM 630 O ARG A 47 -2.332 11.355 -3.105 1.00 0.00 O ATOM 631 CB ARG A 47 -1.794 12.822 -5.975 1.00 0.00 C ATOM 632 CG ARG A 47 -1.839 12.760 -7.493 1.00 0.00 C ATOM 633 CD ARG A 47 -3.173 13.247 -8.039 1.00 0.00 C ATOM 634 NE ARG A 47 -3.462 14.620 -7.626 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.661 15.626 -8.474 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.577 15.426 -9.785 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.930 16.837 -8.004 1.00 0.00 N ATOM 0 H ARG A 47 -3.407 13.556 -3.850 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.548 11.584 -6.050 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.788 13.866 -5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.859 12.381 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.034 13.368 -7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.665 11.735 -7.820 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.163 13.190 -9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.969 12.588 -7.693 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.514 14.819 -6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.359 14.497 -10.146 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.731 16.201 -10.430 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.983 16.993 -6.997 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.083 17.612 -8.649 1.00 0.00 H new ATOM 648 N LEU A 48 -2.084 9.921 -4.823 1.00 0.00 N ATOM 649 CA LEU A 48 -1.571 8.834 -4.007 1.00 0.00 C ATOM 650 C LEU A 48 -0.062 8.948 -3.862 1.00 0.00 C ATOM 651 O LEU A 48 0.680 8.814 -4.833 1.00 0.00 O ATOM 652 CB LEU A 48 -1.948 7.495 -4.645 1.00 0.00 C ATOM 653 CG LEU A 48 -3.433 7.321 -4.945 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.707 5.936 -5.495 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.255 7.575 -3.696 1.00 0.00 C ATOM 0 H LEU A 48 -2.148 9.703 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.014 8.892 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.389 7.382 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.630 6.691 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.722 8.050 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.772 5.831 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.142 5.792 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.405 5.187 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.313 7.447 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.964 6.868 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.080 8.592 -3.346 1.00 0.00 H new ATOM 666 N GLU A 49 0.380 9.203 -2.645 1.00 0.00 N ATOM 667 CA GLU A 49 1.794 9.340 -2.356 1.00 0.00 C ATOM 668 C GLU A 49 2.267 8.136 -1.552 1.00 0.00 C ATOM 669 O GLU A 49 1.547 7.677 -0.660 1.00 0.00 O ATOM 670 CB GLU A 49 2.044 10.640 -1.587 1.00 0.00 C ATOM 671 CG GLU A 49 3.510 10.933 -1.325 1.00 0.00 C ATOM 672 CD GLU A 49 4.261 11.327 -2.586 1.00 0.00 C ATOM 673 OE1 GLU A 49 4.509 10.446 -3.438 1.00 0.00 O ATOM 674 OE2 GLU A 49 4.597 12.522 -2.733 1.00 0.00 O ATOM 0 H GLU A 49 -0.227 9.320 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 49 2.357 9.380 -3.289 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.613 11.470 -2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.518 10.592 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.591 11.736 -0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.980 10.053 -0.887 1.00 0.00 H new ATOM 679 N TYR A 50 3.456 7.622 -1.896 1.00 0.00 N ATOM 680 CA TYR A 50 4.044 6.457 -1.231 1.00 0.00 C ATOM 681 C TYR A 50 3.836 6.432 0.180 1.00 0.00 C ATOM 682 O TYR A 50 3.053 5.599 0.639 1.00 0.00 O ATOM 683 CB TYR A 50 5.528 6.215 -1.538 1.00 0.00 C ATOM 684 CG TYR A 50 6.220 7.230 -2.443 1.00 0.00 C ATOM 685 CD1 TYR A 50 5.802 7.439 -3.752 1.00 0.00 C ATOM 686 CD2 TYR A 50 7.308 7.967 -1.985 1.00 0.00 C ATOM 687 CE1 TYR A 50 6.439 8.346 -4.572 1.00 0.00 C ATOM 688 CE2 TYR A 50 7.951 8.877 -2.803 1.00 0.00 C ATOM 689 CZ TYR A 50 7.512 9.062 -4.094 1.00 0.00 C ATOM 690 OH TYR A 50 8.145 9.968 -4.914 1.00 0.00 O ATOM 0 H TYR A 50 4.035 8.004 -2.644 1.00 0.00 H new ATOM 0 HA TYR A 50 3.486 5.633 -1.676 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.069 6.180 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.623 5.231 -1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.961 6.880 -4.135 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.656 7.825 -0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.097 8.494 -5.586 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.794 9.440 -2.431 1.00 0.00 H new ATOM 0 HH TYR A 50 8.882 10.391 -4.426 1.00 0.00 H new ATOM 699 N PRO A 51 4.447 7.237 0.955 1.00 0.00 N ATOM 700 CA PRO A 51 4.190 7.037 2.260 1.00 0.00 C ATOM 701 C PRO A 51 3.324 8.107 2.864 1.00 0.00 C ATOM 702 O PRO A 51 3.577 9.309 2.747 1.00 0.00 O ATOM 703 CB PRO A 51 5.571 6.994 2.773 1.00 0.00 C ATOM 704 CG PRO A 51 6.261 8.109 2.030 1.00 0.00 C ATOM 705 CD PRO A 51 5.475 8.259 0.743 1.00 0.00 C ATOM 0 HA PRO A 51 3.601 6.150 2.495 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.603 7.151 3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.042 6.031 2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.254 9.033 2.608 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.305 7.865 1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.053 9.257 0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.081 8.064 -0.141 1.00 0.00 H new ATOM 710 N GLY A 52 2.311 7.655 3.511 1.00 0.00 N ATOM 711 CA GLY A 52 1.381 8.563 4.095 1.00 0.00 C ATOM 712 C GLY A 52 0.465 7.917 5.100 1.00 0.00 C ATOM 713 O GLY A 52 0.728 6.812 5.572 1.00 0.00 O ATOM 0 H GLY A 52 2.102 6.667 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.929 9.371 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.781 9.015 3.305 1.00 0.00 H new ATOM 717 N GLU A 53 -0.622 8.611 5.403 1.00 0.00 N ATOM 718 CA GLU A 53 -1.614 8.142 6.359 1.00 0.00 C ATOM 719 C GLU A 53 -2.963 8.793 6.088 1.00 0.00 C ATOM 720 O GLU A 53 -3.028 9.953 5.673 1.00 0.00 O ATOM 721 CB GLU A 53 -1.202 8.479 7.797 1.00 0.00 C ATOM 722 CG GLU A 53 -0.033 7.672 8.330 1.00 0.00 C ATOM 723 CD GLU A 53 0.505 8.229 9.627 1.00 0.00 C ATOM 724 OE1 GLU A 53 1.225 9.247 9.582 1.00 0.00 O ATOM 725 OE2 GLU A 53 0.216 7.656 10.697 1.00 0.00 O ATOM 0 H GLU A 53 -0.842 9.518 4.991 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.685 7.060 6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.948 9.538 7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.060 8.325 8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.347 6.640 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.764 7.656 7.586 1.00 0.00 H new ATOM 730 N SER A 54 -4.024 8.028 6.310 1.00 0.00 N ATOM 731 CA SER A 54 -5.394 8.502 6.156 1.00 0.00 C ATOM 732 C SER A 54 -5.697 8.988 4.731 1.00 0.00 C ATOM 733 O SER A 54 -6.360 10.011 4.541 1.00 0.00 O ATOM 734 CB SER A 54 -5.666 9.615 7.182 1.00 0.00 C ATOM 735 OG SER A 54 -7.021 10.032 7.168 1.00 0.00 O ATOM 0 H SER A 54 -3.958 7.054 6.604 1.00 0.00 H new ATOM 0 HA SER A 54 -6.061 7.659 6.339 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.407 9.260 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.022 10.468 6.970 1.00 0.00 H new ATOM 0 HG SER A 54 -7.153 10.738 7.834 1.00 0.00 H new ATOM 740 N PHE A 55 -5.224 8.266 3.722 1.00 0.00 N ATOM 741 CA PHE A 55 -5.509 8.665 2.350 1.00 0.00 C ATOM 742 C PHE A 55 -6.979 8.376 2.050 1.00 0.00 C ATOM 743 O PHE A 55 -7.669 9.175 1.421 1.00 0.00 O ATOM 744 CB PHE A 55 -4.590 7.954 1.336 1.00 0.00 C ATOM 745 CG PHE A 55 -4.984 6.536 1.003 1.00 0.00 C ATOM 746 CD1 PHE A 55 -4.620 5.485 1.827 1.00 0.00 C ATOM 747 CD2 PHE A 55 -5.723 6.257 -0.139 1.00 0.00 C ATOM 748 CE1 PHE A 55 -4.988 4.189 1.522 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.092 4.962 -0.448 1.00 0.00 C ATOM 750 CZ PHE A 55 -5.723 3.928 0.385 1.00 0.00 C ATOM 0 H PHE A 55 -4.657 7.424 3.822 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.312 9.732 2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.572 8.536 0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.574 7.950 1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.042 5.680 2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.014 7.064 -0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.700 3.379 2.175 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.668 4.761 -1.339 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.009 2.914 0.147 1.00 0.00 H new ATOM 759 N GLY A 56 -7.464 7.260 2.589 1.00 0.00 N ATOM 760 CA GLY A 56 -8.835 6.835 2.385 1.00 0.00 C ATOM 761 C GLY A 56 -9.854 7.844 2.871 1.00 0.00 C ATOM 762 O GLY A 56 -11.011 7.802 2.463 1.00 0.00 O ATOM 0 H GLY A 56 -6.916 6.631 3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.996 6.649 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.996 5.889 2.902 1.00 0.00 H new ATOM 766 N SER A 57 -9.419 8.758 3.734 1.00 0.00 N ATOM 767 CA SER A 57 -10.296 9.789 4.279 1.00 0.00 C ATOM 768 C SER A 57 -10.835 10.686 3.160 1.00 0.00 C ATOM 769 O SER A 57 -11.852 11.363 3.325 1.00 0.00 O ATOM 770 CB SER A 57 -9.533 10.622 5.315 1.00 0.00 C ATOM 771 OG SER A 57 -10.405 11.437 6.080 1.00 0.00 O ATOM 0 H SER A 57 -8.458 8.805 4.072 1.00 0.00 H new ATOM 0 HA SER A 57 -11.145 9.309 4.765 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.980 9.958 5.979 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.800 11.250 4.808 1.00 0.00 H new ATOM 0 HG SER A 57 -9.884 11.952 6.731 1.00 0.00 H new ATOM 776 N SER A 58 -10.150 10.698 2.020 1.00 0.00 N ATOM 777 CA SER A 58 -10.575 11.501 0.885 1.00 0.00 C ATOM 778 C SER A 58 -10.279 10.787 -0.433 1.00 0.00 C ATOM 779 O SER A 58 -10.146 11.426 -1.479 1.00 0.00 O ATOM 780 CB SER A 58 -9.885 12.867 0.920 1.00 0.00 C ATOM 781 OG SER A 58 -10.164 13.540 2.139 1.00 0.00 O ATOM 0 H SER A 58 -9.298 10.160 1.861 1.00 0.00 H new ATOM 0 HA SER A 58 -11.653 11.647 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.808 12.739 0.808 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.223 13.472 0.079 1.00 0.00 H new ATOM 0 HG SER A 58 -9.713 14.410 2.143 1.00 0.00 H new ATOM 786 N CYS A 59 -10.186 9.461 -0.381 1.00 0.00 N ATOM 787 CA CYS A 59 -9.908 8.670 -1.571 1.00 0.00 C ATOM 788 C CYS A 59 -10.966 7.604 -1.789 1.00 0.00 C ATOM 789 O CYS A 59 -11.434 6.965 -0.845 1.00 0.00 O ATOM 790 CB CYS A 59 -8.544 7.992 -1.476 1.00 0.00 C ATOM 791 SG CYS A 59 -7.132 9.134 -1.403 1.00 0.00 S ATOM 0 H CYS A 59 -10.299 8.914 0.473 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.914 9.361 -2.414 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.529 7.360 -0.588 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.419 7.336 -2.337 1.00 0.00 H new ATOM 795 N VAL A 60 -11.331 7.423 -3.044 1.00 0.00 N ATOM 796 CA VAL A 60 -12.311 6.428 -3.445 1.00 0.00 C ATOM 797 C VAL A 60 -11.805 5.704 -4.682 1.00 0.00 C ATOM 798 O VAL A 60 -10.737 6.039 -5.193 1.00 0.00 O ATOM 799 CB VAL A 60 -13.692 7.055 -3.755 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.319 7.642 -2.502 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.572 8.116 -4.840 1.00 0.00 C ATOM 0 H VAL A 60 -10.954 7.966 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.441 5.736 -2.613 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.345 6.262 -4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.288 8.076 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.452 6.856 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.667 8.417 -2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.554 8.543 -5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.896 8.903 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.180 7.663 -5.750 1.00 0.00 H new ATOM 811 N LYS A 61 -12.559 4.714 -5.150 1.00 0.00 N ATOM 812 CA LYS A 61 -12.197 3.948 -6.346 1.00 0.00 C ATOM 813 C LYS A 61 -10.873 3.211 -6.157 1.00 0.00 C ATOM 814 O LYS A 61 -10.060 3.137 -7.076 1.00 0.00 O ATOM 815 CB LYS A 61 -12.110 4.865 -7.573 1.00 0.00 C ATOM 816 CG LYS A 61 -13.393 5.623 -7.872 1.00 0.00 C ATOM 817 CD LYS A 61 -14.560 4.678 -8.086 1.00 0.00 C ATOM 818 CE LYS A 61 -15.828 5.427 -8.459 1.00 0.00 C ATOM 819 NZ LYS A 61 -16.976 4.503 -8.634 1.00 0.00 N ATOM 0 H LYS A 61 -13.434 4.419 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.981 3.209 -6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.304 5.582 -7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.843 4.265 -8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.618 6.299 -7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.254 6.239 -8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.312 3.967 -8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.732 4.101 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -16.062 6.156 -7.684 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -15.664 5.984 -9.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.825 5.048 -8.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.762 3.823 -9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.147 3.990 -7.746 1.00 0.00 H new ATOM 829 N THR A 62 -10.668 2.664 -4.968 1.00 0.00 N ATOM 830 CA THR A 62 -9.447 1.939 -4.656 1.00 0.00 C ATOM 831 C THR A 62 -9.371 0.603 -5.397 1.00 0.00 C ATOM 832 O THR A 62 -10.290 -0.216 -5.324 1.00 0.00 O ATOM 833 CB THR A 62 -9.332 1.695 -3.141 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.608 1.309 -2.611 1.00 0.00 O ATOM 835 CG2 THR A 62 -8.839 2.937 -2.420 1.00 0.00 C ATOM 0 H THR A 62 -11.337 2.710 -4.199 1.00 0.00 H new ATOM 0 HA THR A 62 -8.615 2.559 -4.988 1.00 0.00 H new ATOM 0 HB THR A 62 -8.609 0.895 -2.982 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.665 1.574 -1.669 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.768 2.733 -1.352 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.857 3.214 -2.803 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.538 3.756 -2.588 1.00 0.00 H new ATOM 843 N ALA A 63 -8.274 0.398 -6.106 1.00 0.00 N ATOM 844 CA ALA A 63 -8.053 -0.825 -6.859 1.00 0.00 C ATOM 845 C ALA A 63 -6.560 -1.089 -6.990 1.00 0.00 C ATOM 846 O ALA A 63 -5.762 -0.151 -7.007 1.00 0.00 O ATOM 847 CB ALA A 63 -8.704 -0.737 -8.230 1.00 0.00 C ATOM 0 H ALA A 63 -7.513 1.073 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.511 -1.655 -6.322 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.526 -1.663 -8.777 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.777 -0.584 -8.114 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.276 0.099 -8.783 1.00 0.00 H new ATOM 853 N LEU A 64 -6.184 -2.352 -7.078 1.00 0.00 N ATOM 854 CA LEU A 64 -4.780 -2.723 -7.191 1.00 0.00 C ATOM 855 C LEU A 64 -4.439 -3.165 -8.608 1.00 0.00 C ATOM 856 O LEU A 64 -4.910 -4.201 -9.079 1.00 0.00 O ATOM 857 CB LEU A 64 -4.453 -3.841 -6.194 1.00 0.00 C ATOM 858 CG LEU A 64 -3.430 -3.482 -5.111 1.00 0.00 C ATOM 859 CD1 LEU A 64 -2.033 -3.411 -5.688 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.780 -2.161 -4.455 1.00 0.00 C ATOM 0 H LEU A 64 -6.830 -3.141 -7.074 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.176 -1.846 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.377 -4.151 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.081 -4.702 -6.750 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.459 -4.269 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.326 -3.155 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.766 -4.378 -6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.999 -2.649 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.040 -1.927 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.786 -1.372 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.766 -2.233 -3.996 1.00 0.00 H new ATOM 871 N ASN A 65 -3.606 -2.379 -9.280 1.00 0.00 N ATOM 872 CA ASN A 65 -3.192 -2.683 -10.639 1.00 0.00 C ATOM 873 C ASN A 65 -2.027 -3.647 -10.612 1.00 0.00 C ATOM 874 O ASN A 65 -1.011 -3.390 -9.956 1.00 0.00 O ATOM 875 CB ASN A 65 -2.775 -1.417 -11.377 1.00 0.00 C ATOM 876 CG ASN A 65 -2.825 -1.574 -12.885 1.00 0.00 C ATOM 877 OD1 ASN A 65 -3.863 -1.351 -13.509 1.00 0.00 O ATOM 878 ND2 ASN A 65 -1.699 -1.932 -13.484 1.00 0.00 N ATOM 0 H ASN A 65 -3.204 -1.522 -8.901 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.037 -3.131 -11.161 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.428 -0.596 -11.080 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.763 -1.144 -11.078 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.671 -2.032 -14.499 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.860 -2.108 -12.931 1.00 0.00 H new ATOM 884 N ASP A 66 -2.208 -4.771 -11.286 1.00 0.00 N ATOM 885 CA ASP A 66 -1.188 -5.821 -11.387 1.00 0.00 C ATOM 886 C ASP A 66 -0.821 -6.392 -10.011 1.00 0.00 C ATOM 887 O ASP A 66 0.105 -7.186 -9.879 1.00 0.00 O ATOM 888 CB ASP A 66 0.055 -5.263 -12.089 1.00 0.00 C ATOM 889 CG ASP A 66 1.052 -6.334 -12.490 1.00 0.00 C ATOM 890 OD1 ASP A 66 0.835 -6.989 -13.530 1.00 0.00 O ATOM 891 OD2 ASP A 66 2.064 -6.517 -11.776 1.00 0.00 O ATOM 0 H ASP A 66 -3.071 -4.989 -11.785 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.600 -6.641 -11.975 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.255 -4.714 -12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.546 -4.549 -11.428 1.00 0.00 H new ATOM 895 N GLY A 67 -1.569 -5.998 -8.992 1.00 0.00 N ATOM 896 CA GLY A 67 -1.309 -6.467 -7.645 1.00 0.00 C ATOM 897 C GLY A 67 -0.036 -5.891 -7.052 1.00 0.00 C ATOM 898 O GLY A 67 0.622 -6.540 -6.243 1.00 0.00 O ATOM 0 H GLY A 67 -2.358 -5.357 -9.074 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.152 -6.205 -7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.240 -7.555 -7.652 1.00 0.00 H new ATOM 902 N HIS A 68 0.316 -4.673 -7.452 1.00 0.00 N ATOM 903 CA HIS A 68 1.518 -4.019 -6.929 1.00 0.00 C ATOM 904 C HIS A 68 1.367 -2.494 -6.919 1.00 0.00 C ATOM 905 O HIS A 68 2.070 -1.801 -6.192 1.00 0.00 O ATOM 906 CB HIS A 68 2.787 -4.448 -7.702 1.00 0.00 C ATOM 907 CG HIS A 68 2.901 -3.949 -9.121 1.00 0.00 C ATOM 908 ND1 HIS A 68 4.094 -3.935 -9.812 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.976 -3.456 -9.979 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.894 -3.455 -11.025 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.618 -3.158 -11.154 1.00 0.00 N ATOM 0 H HIS A 68 -0.207 -4.120 -8.131 1.00 0.00 H new ATOM 0 HA HIS A 68 1.638 -4.348 -5.897 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.660 -4.104 -7.146 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.828 -5.537 -7.717 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.924 -3.322 -9.775 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.651 -3.327 -11.785 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.179 -2.770 -11.989 1.00 0.00 H new ATOM 919 N THR A 69 0.444 -1.984 -7.720 1.00 0.00 N ATOM 920 CA THR A 69 0.195 -0.561 -7.806 1.00 0.00 C ATOM 921 C THR A 69 -1.216 -0.235 -7.322 1.00 0.00 C ATOM 922 O THR A 69 -2.164 -0.922 -7.666 1.00 0.00 O ATOM 923 CB THR A 69 0.352 -0.093 -9.260 1.00 0.00 C ATOM 924 OG1 THR A 69 1.719 -0.212 -9.682 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.137 1.334 -9.442 1.00 0.00 C ATOM 0 H THR A 69 -0.151 -2.548 -8.327 1.00 0.00 H new ATOM 0 HA THR A 69 0.916 -0.045 -7.173 1.00 0.00 H new ATOM 0 HB THR A 69 -0.266 -0.738 -9.884 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.302 -0.256 -8.895 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.011 1.632 -10.483 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.191 1.394 -9.173 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.440 2.001 -8.801 1.00 0.00 H new ATOM 933 N LEU A 70 -1.347 0.801 -6.523 1.00 0.00 N ATOM 934 CA LEU A 70 -2.644 1.216 -6.020 1.00 0.00 C ATOM 935 C LEU A 70 -3.190 2.349 -6.867 1.00 0.00 C ATOM 936 O LEU A 70 -2.497 3.318 -7.137 1.00 0.00 O ATOM 937 CB LEU A 70 -2.537 1.646 -4.550 1.00 0.00 C ATOM 938 CG LEU A 70 -3.680 2.522 -4.016 1.00 0.00 C ATOM 939 CD1 LEU A 70 -5.009 1.787 -4.065 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.379 2.970 -2.597 1.00 0.00 C ATOM 0 H LEU A 70 -0.568 1.377 -6.204 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.331 0.372 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.476 0.749 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.600 2.187 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.758 3.400 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.797 2.434 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.235 1.513 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.949 0.886 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.197 3.590 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.270 2.096 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.454 3.546 -2.586 1.00 0.00 H new ATOM 951 N THR A 71 -4.419 2.207 -7.304 1.00 0.00 N ATOM 952 CA THR A 71 -5.064 3.227 -8.098 1.00 0.00 C ATOM 953 C THR A 71 -6.329 3.689 -7.407 1.00 0.00 C ATOM 954 O THR A 71 -7.138 2.868 -6.972 1.00 0.00 O ATOM 955 CB THR A 71 -5.389 2.725 -9.516 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.462 1.289 -9.532 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.337 3.202 -10.499 1.00 0.00 C ATOM 0 H THR A 71 -4.997 1.387 -7.121 1.00 0.00 H new ATOM 0 HA THR A 71 -4.373 4.064 -8.196 1.00 0.00 H new ATOM 0 HB THR A 71 -6.356 3.130 -9.813 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.671 0.982 -10.439 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.581 2.839 -11.497 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.312 4.292 -10.505 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.361 2.819 -10.202 1.00 0.00 H new ATOM 965 N ALA A 72 -6.475 4.995 -7.270 1.00 0.00 N ATOM 966 CA ALA A 72 -7.642 5.563 -6.621 1.00 0.00 C ATOM 967 C ALA A 72 -7.854 7.005 -7.057 1.00 0.00 C ATOM 968 O ALA A 72 -7.031 7.581 -7.765 1.00 0.00 O ATOM 969 CB ALA A 72 -7.494 5.478 -5.108 1.00 0.00 C ATOM 0 H ALA A 72 -5.798 5.683 -7.600 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.518 4.987 -6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.375 5.907 -4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.393 4.434 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.608 6.032 -4.797 1.00 0.00 H new ATOM 975 N SER A 73 -8.967 7.568 -6.635 1.00 0.00 N ATOM 976 CA SER A 73 -9.313 8.940 -6.954 1.00 0.00 C ATOM 977 C SER A 73 -9.446 9.694 -5.643 1.00 0.00 C ATOM 978 O SER A 73 -10.271 9.339 -4.798 1.00 0.00 O ATOM 979 CB SER A 73 -10.617 8.985 -7.758 1.00 0.00 C ATOM 980 OG SER A 73 -10.904 10.297 -8.205 1.00 0.00 O ATOM 0 H SER A 73 -9.659 7.088 -6.060 1.00 0.00 H new ATOM 0 HA SER A 73 -8.542 9.403 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.541 8.316 -8.615 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.439 8.621 -7.141 1.00 0.00 H new ATOM 0 HG SER A 73 -11.862 10.476 -8.101 1.00 0.00 H new ATOM 985 N CYS A 74 -8.629 10.713 -5.457 1.00 0.00 N ATOM 986 CA CYS A 74 -8.645 11.451 -4.209 1.00 0.00 C ATOM 987 C CYS A 74 -8.917 12.930 -4.395 1.00 0.00 C ATOM 988 O CYS A 74 -8.549 13.531 -5.404 1.00 0.00 O ATOM 989 CB CYS A 74 -7.309 11.278 -3.502 1.00 0.00 C ATOM 990 SG CYS A 74 -6.775 9.553 -3.348 1.00 0.00 S ATOM 0 H CYS A 74 -7.954 11.046 -6.145 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.461 11.044 -3.612 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.547 11.836 -4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.377 11.717 -2.507 1.00 0.00 H new ATOM 994 N LYS A 75 -9.596 13.494 -3.413 1.00 0.00 N ATOM 995 CA LYS A 75 -9.909 14.911 -3.385 1.00 0.00 C ATOM 996 C LYS A 75 -8.928 15.619 -2.452 1.00 0.00 C ATOM 997 O LYS A 75 -8.492 15.032 -1.460 1.00 0.00 O ATOM 998 CB LYS A 75 -11.371 15.115 -2.934 1.00 0.00 C ATOM 999 CG LYS A 75 -11.696 16.521 -2.444 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.408 16.661 -0.960 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.355 18.110 -0.527 1.00 0.00 C ATOM 1002 NZ LYS A 75 -11.042 18.236 0.919 1.00 0.00 N ATOM 0 H LYS A 75 -9.948 12.978 -2.607 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.808 15.340 -4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.031 14.874 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.593 14.406 -2.136 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.108 17.249 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.745 16.743 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.178 16.140 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.459 16.178 -0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.601 18.638 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.312 18.588 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.014 19.242 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.775 17.753 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.117 17.801 1.113 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.566 16.862 -2.762 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.656 17.577 -1.885 1.00 0.00 C ATOM 1014 C GLY A 76 -6.913 18.716 -2.547 1.00 0.00 C ATOM 1015 O GLY A 76 -6.477 19.640 -1.868 1.00 0.00 O ATOM 0 H GLY A 76 -8.878 17.377 -3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.220 17.971 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.929 16.871 -1.482 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.745 18.659 -3.859 1.00 0.00 N ATOM 1020 CA ALA A 77 -6.031 19.722 -4.563 1.00 0.00 C ATOM 1021 C ALA A 77 -6.822 21.030 -4.570 1.00 0.00 C ATOM 1022 O ALA A 77 -6.245 22.113 -4.490 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.684 19.300 -5.979 1.00 0.00 C ATOM 0 H ALA A 77 -7.085 17.903 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.103 19.901 -4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.153 20.109 -6.480 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.050 18.414 -5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.599 19.073 -6.526 1.00 0.00 H new ATOM 1029 N ASP A 78 -8.145 20.926 -4.639 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.999 22.115 -4.660 1.00 0.00 C ATOM 1031 C ASP A 78 -10.465 21.725 -4.484 1.00 0.00 C ATOM 1032 O ASP A 78 -11.316 22.062 -5.304 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.810 22.887 -5.970 1.00 0.00 C ATOM 1034 CG ASP A 78 -9.373 24.295 -5.903 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.804 25.132 -5.167 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -10.370 24.577 -6.598 1.00 0.00 O ATOM 0 H ASP A 78 -8.649 20.040 -4.681 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.709 22.760 -3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.748 22.935 -6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.295 22.344 -6.781 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.746 20.988 -3.414 1.00 0.00 N ATOM 1041 CA GLY A 79 -12.105 20.546 -3.132 1.00 0.00 C ATOM 1042 C GLY A 79 -12.618 19.521 -4.128 1.00 0.00 C ATOM 1043 O GLY A 79 -13.730 19.013 -3.996 1.00 0.00 O ATOM 0 H GLY A 79 -10.052 20.686 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.141 20.119 -2.130 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.769 21.410 -3.135 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.796 19.204 -5.113 1.00 0.00 N ATOM 1048 CA GLN A 80 -12.158 18.251 -6.146 1.00 0.00 C ATOM 1049 C GLN A 80 -11.201 17.068 -6.150 1.00 0.00 C ATOM 1050 O GLN A 80 -10.086 17.153 -5.620 1.00 0.00 O ATOM 1051 CB GLN A 80 -12.161 18.936 -7.511 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.872 19.678 -7.826 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.907 20.355 -9.177 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -11.970 20.742 -9.667 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.742 20.523 -9.777 1.00 0.00 N ATOM 0 H GLN A 80 -10.862 19.599 -5.219 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.160 17.876 -5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.336 18.187 -8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.994 19.638 -7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.689 20.425 -7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.037 18.978 -7.796 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.887 20.186 -9.334 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.698 20.989 -10.683 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.646 15.974 -6.750 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.859 14.752 -6.826 1.00 0.00 C ATOM 1064 C TYR A 81 -10.135 14.638 -8.166 1.00 0.00 C ATOM 1065 O TYR A 81 -10.416 15.389 -9.102 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.765 13.532 -6.617 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.871 13.412 -7.644 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.646 12.775 -8.855 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.133 13.938 -7.403 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.642 12.666 -9.799 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.138 13.833 -8.343 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.888 13.196 -9.540 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.889 13.088 -10.480 1.00 0.00 O ATOM 0 H TYR A 81 -12.561 15.908 -7.197 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.107 14.787 -6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.155 12.629 -6.645 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.209 13.586 -5.623 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.672 12.357 -9.061 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.331 14.437 -6.466 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.448 12.168 -10.738 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.115 14.247 -8.142 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.704 13.513 -10.140 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.214 13.688 -8.246 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.438 13.440 -9.453 1.00 0.00 C ATOM 1084 C HIS A 82 -7.942 12.002 -9.461 1.00 0.00 C ATOM 1085 O HIS A 82 -7.701 11.416 -8.405 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.246 14.400 -9.554 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.533 15.636 -10.356 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -7.434 16.914 -9.846 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -7.911 15.781 -11.650 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -7.741 17.787 -10.791 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -8.031 17.125 -11.891 1.00 0.00 N ATOM 0 H HIS A 82 -8.983 13.065 -7.472 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.086 13.609 -10.313 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.940 14.692 -8.549 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.404 13.874 -10.003 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -8.085 14.985 -12.359 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.752 18.861 -10.679 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -8.302 17.545 -12.780 1.00 0.00 H new ATOM 1099 N ASP A 83 -7.812 11.442 -10.654 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.341 10.070 -10.823 1.00 0.00 C ATOM 1101 C ASP A 83 -5.856 9.982 -10.497 1.00 0.00 C ATOM 1102 O ASP A 83 -5.075 10.818 -10.955 1.00 0.00 O ATOM 1103 CB ASP A 83 -7.590 9.612 -12.262 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.136 8.192 -12.515 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -7.902 7.258 -12.201 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -6.019 7.998 -13.039 1.00 0.00 O ATOM 0 H ASP A 83 -8.028 11.920 -11.529 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.888 9.419 -10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.654 9.693 -12.485 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.069 10.282 -12.946 1.00 0.00 H new ATOM 1110 N SER A 84 -5.464 8.992 -9.701 1.00 0.00 N ATOM 1111 CA SER A 84 -4.067 8.842 -9.328 1.00 0.00 C ATOM 1112 C SER A 84 -3.706 7.391 -9.023 1.00 0.00 C ATOM 1113 O SER A 84 -4.571 6.549 -8.781 1.00 0.00 O ATOM 1114 CB SER A 84 -3.769 9.722 -8.109 1.00 0.00 C ATOM 1115 OG SER A 84 -2.394 9.684 -7.752 1.00 0.00 O ATOM 0 H SER A 84 -6.089 8.289 -9.306 1.00 0.00 H new ATOM 0 HA SER A 84 -3.458 9.156 -10.176 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.060 10.750 -8.324 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.373 9.389 -7.265 1.00 0.00 H new ATOM 0 HG SER A 84 -1.845 9.689 -8.564 1.00 0.00 H new ATOM 1120 N SER A 85 -2.409 7.111 -9.061 1.00 0.00 N ATOM 1121 CA SER A 85 -1.895 5.787 -8.769 1.00 0.00 C ATOM 1122 C SER A 85 -0.651 5.894 -7.900 1.00 0.00 C ATOM 1123 O SER A 85 0.003 6.936 -7.857 1.00 0.00 O ATOM 1124 CB SER A 85 -1.546 5.038 -10.047 1.00 0.00 C ATOM 1125 OG SER A 85 -2.193 5.612 -11.173 1.00 0.00 O ATOM 0 H SER A 85 -1.690 7.795 -9.295 1.00 0.00 H new ATOM 0 HA SER A 85 -2.673 5.235 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.467 5.054 -10.198 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.839 3.993 -9.950 1.00 0.00 H new ATOM 0 HG SER A 85 -1.950 5.112 -11.980 1.00 0.00 H new ATOM 1130 N MET A 86 -0.331 4.807 -7.230 1.00 0.00 N ATOM 1131 CA MET A 86 0.817 4.742 -6.351 1.00 0.00 C ATOM 1132 C MET A 86 1.413 3.343 -6.392 1.00 0.00 C ATOM 1133 O MET A 86 0.753 2.380 -6.012 1.00 0.00 O ATOM 1134 CB MET A 86 0.381 5.080 -4.927 1.00 0.00 C ATOM 1135 CG MET A 86 1.494 4.950 -3.912 1.00 0.00 C ATOM 1136 SD MET A 86 2.933 5.909 -4.395 1.00 0.00 S ATOM 1137 CE MET A 86 4.198 4.663 -4.255 1.00 0.00 C ATOM 0 H MET A 86 -0.863 3.938 -7.280 1.00 0.00 H new ATOM 0 HA MET A 86 1.570 5.459 -6.678 1.00 0.00 H new ATOM 0 HB2 MET A 86 -0.004 6.100 -4.905 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.440 4.423 -4.641 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.141 5.286 -2.937 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.772 3.901 -3.806 1.00 0.00 H new ATOM 0 HE1 MET A 86 5.057 5.075 -3.726 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.807 3.808 -3.703 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.505 4.342 -5.251 1.00 0.00 H new ATOM 1145 N ASP A 87 2.648 3.218 -6.851 1.00 0.00 N ATOM 1146 CA ASP A 87 3.277 1.907 -6.933 1.00 0.00 C ATOM 1147 C ASP A 87 3.735 1.453 -5.555 1.00 0.00 C ATOM 1148 O ASP A 87 4.763 1.895 -5.043 1.00 0.00 O ATOM 1149 CB ASP A 87 4.462 1.928 -7.895 1.00 0.00 C ATOM 1150 CG ASP A 87 4.840 0.541 -8.366 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.050 -0.402 -8.140 1.00 0.00 O ATOM 1152 OD2 ASP A 87 5.915 0.396 -8.983 1.00 0.00 O ATOM 0 H ASP A 87 3.228 3.994 -7.168 1.00 0.00 H new ATOM 0 HA ASP A 87 2.538 1.202 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.217 2.548 -8.757 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.319 2.389 -7.404 1.00 0.00 H new ATOM 1156 N LEU A 88 2.988 0.529 -4.978 1.00 0.00 N ATOM 1157 CA LEU A 88 3.280 0.007 -3.650 1.00 0.00 C ATOM 1158 C LEU A 88 4.478 -0.918 -3.698 1.00 0.00 C ATOM 1159 O LEU A 88 4.970 -1.367 -2.664 1.00 0.00 O ATOM 1160 CB LEU A 88 2.074 -0.743 -3.088 1.00 0.00 C ATOM 1161 CG LEU A 88 0.714 -0.087 -3.339 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.395 -0.916 -2.711 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.697 1.333 -2.789 1.00 0.00 C ATOM 0 H LEU A 88 2.162 0.118 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 88 3.506 0.850 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.059 -1.745 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.209 -0.859 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 88 0.544 -0.040 -4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.357 -0.438 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.395 -1.914 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.229 -0.991 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.277 1.784 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.886 1.310 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.470 1.923 -3.281 1.00 0.00 H new ATOM 1174 N ASN A 89 4.918 -1.216 -4.915 1.00 0.00 N ATOM 1175 CA ASN A 89 6.062 -2.089 -5.148 1.00 0.00 C ATOM 1176 C ASN A 89 7.233 -1.699 -4.250 1.00 0.00 C ATOM 1177 O ASN A 89 8.000 -2.553 -3.812 1.00 0.00 O ATOM 1178 CB ASN A 89 6.494 -1.994 -6.614 1.00 0.00 C ATOM 1179 CG ASN A 89 7.156 -3.259 -7.123 1.00 0.00 C ATOM 1180 OD1 ASN A 89 8.118 -3.207 -7.893 1.00 0.00 O ATOM 1181 ND2 ASN A 89 6.611 -4.407 -6.747 1.00 0.00 N ATOM 0 H ASN A 89 4.491 -0.858 -5.769 1.00 0.00 H new ATOM 0 HA ASN A 89 5.767 -3.112 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.622 -1.775 -7.230 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.184 -1.158 -6.730 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.987 -5.289 -7.096 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.816 -4.409 -6.108 1.00 0.00 H new ATOM 1187 N TYR A 90 7.343 -0.410 -3.943 1.00 0.00 N ATOM 1188 CA TYR A 90 8.427 0.070 -3.110 1.00 0.00 C ATOM 1189 C TYR A 90 7.907 0.712 -1.825 1.00 0.00 C ATOM 1190 O TYR A 90 8.575 1.556 -1.227 1.00 0.00 O ATOM 1191 CB TYR A 90 9.321 1.043 -3.894 1.00 0.00 C ATOM 1192 CG TYR A 90 8.599 2.225 -4.518 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.019 2.131 -5.782 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.530 3.446 -3.856 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.397 3.218 -6.362 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.901 4.532 -4.430 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.340 4.412 -5.683 1.00 0.00 C ATOM 1198 OH TYR A 90 6.729 5.497 -6.264 1.00 0.00 O ATOM 0 H TYR A 90 6.696 0.313 -4.259 1.00 0.00 H new ATOM 0 HA TYR A 90 9.030 -0.790 -2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.093 1.422 -3.224 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.828 0.489 -4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.057 1.193 -6.316 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.976 3.546 -2.877 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.957 3.131 -7.345 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.849 5.471 -3.900 1.00 0.00 H new ATOM 0 HH TYR A 90 6.566 6.184 -5.584 1.00 0.00 H new ATOM 1207 N VAL A 91 6.705 0.323 -1.405 1.00 0.00 N ATOM 1208 CA VAL A 91 6.137 0.857 -0.170 1.00 0.00 C ATOM 1209 C VAL A 91 5.624 -0.270 0.730 1.00 0.00 C ATOM 1210 O VAL A 91 5.198 -0.035 1.863 1.00 0.00 O ATOM 1211 CB VAL A 91 5.022 1.910 -0.419 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.368 2.794 -1.582 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.654 1.308 -0.624 1.00 0.00 C ATOM 0 H VAL A 91 6.114 -0.350 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 91 6.948 1.375 0.341 1.00 0.00 H new ATOM 0 HB VAL A 91 4.972 2.504 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.571 3.522 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.302 3.316 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.482 2.186 -2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.928 2.103 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.674 0.646 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.370 0.739 0.261 1.00 0.00 H new ATOM 1223 N VAL A 92 5.690 -1.499 0.225 1.00 0.00 N ATOM 1224 CA VAL A 92 5.241 -2.664 0.985 1.00 0.00 C ATOM 1225 C VAL A 92 5.979 -3.934 0.547 1.00 0.00 C ATOM 1226 O VAL A 92 6.303 -4.098 -0.633 1.00 0.00 O ATOM 1227 CB VAL A 92 3.713 -2.868 0.850 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.306 -3.090 -0.594 1.00 0.00 C ATOM 1229 CG2 VAL A 92 3.226 -4.011 1.732 1.00 0.00 C ATOM 0 H VAL A 92 6.049 -1.715 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 92 5.474 -2.472 2.032 1.00 0.00 H new ATOM 0 HB VAL A 92 3.234 -1.951 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.226 -3.230 -0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.591 -2.223 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.807 -3.977 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.149 -4.128 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.726 -4.935 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.455 -3.789 2.774 1.00 0.00 H new ATOM 1239 N GLY A 93 6.253 -4.816 1.506 1.00 0.00 N ATOM 1240 CA GLY A 93 6.943 -6.059 1.221 1.00 0.00 C ATOM 1241 C GLY A 93 6.357 -7.230 1.985 1.00 0.00 C ATOM 1242 O GLY A 93 5.317 -7.099 2.639 1.00 0.00 O ATOM 0 H GLY A 93 6.005 -4.687 2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.892 -6.264 0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.998 -5.953 1.475 1.00 0.00 H new ATOM 1246 N ASN A 94 7.030 -8.369 1.915 1.00 0.00 N ATOM 1247 CA ASN A 94 6.579 -9.580 2.595 1.00 0.00 C ATOM 1248 C ASN A 94 7.726 -10.233 3.358 1.00 0.00 C ATOM 1249 O ASN A 94 8.848 -10.327 2.854 1.00 0.00 O ATOM 1250 CB ASN A 94 6.005 -10.575 1.579 1.00 0.00 C ATOM 1251 CG ASN A 94 5.658 -11.924 2.195 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.219 -12.011 3.341 1.00 0.00 O ATOM 1253 ND2 ASN A 94 5.871 -12.988 1.439 1.00 0.00 N ATOM 0 H ASN A 94 7.897 -8.483 1.390 1.00 0.00 H new ATOM 0 HA ASN A 94 5.801 -9.299 3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.110 -10.148 1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.728 -10.724 0.777 1.00 0.00 H new ATOM 0 HD21 ASN A 94 5.670 -13.920 1.802 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.236 -12.877 0.493 1.00 0.00 H new ATOM 1259 N SER A 95 7.441 -10.693 4.567 1.00 0.00 N ATOM 1260 CA SER A 95 8.440 -11.344 5.392 1.00 0.00 C ATOM 1261 C SER A 95 7.791 -12.458 6.195 1.00 0.00 C ATOM 1262 O SER A 95 6.910 -12.203 7.021 1.00 0.00 O ATOM 1263 CB SER A 95 9.091 -10.335 6.332 1.00 0.00 C ATOM 1264 OG SER A 95 10.356 -10.788 6.785 1.00 0.00 O ATOM 0 H SER A 95 6.519 -10.625 4.998 1.00 0.00 H new ATOM 0 HA SER A 95 9.211 -11.766 4.748 1.00 0.00 H new ATOM 0 HB2 SER A 95 9.208 -9.381 5.819 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.439 -10.159 7.187 1.00 0.00 H new ATOM 0 HG SER A 95 10.262 -11.679 7.181 1.00 0.00 H new ATOM 1269 N TYR A 96 8.221 -13.688 5.936 1.00 0.00 N ATOM 1270 CA TYR A 96 7.691 -14.862 6.621 1.00 0.00 C ATOM 1271 C TYR A 96 6.192 -14.995 6.371 1.00 0.00 C ATOM 1272 O TYR A 96 5.427 -15.335 7.274 1.00 0.00 O ATOM 1273 CB TYR A 96 7.970 -14.801 8.129 1.00 0.00 C ATOM 1274 CG TYR A 96 9.441 -14.795 8.489 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.133 -15.984 8.677 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.132 -13.601 8.652 1.00 0.00 C ATOM 1277 CE1 TYR A 96 11.474 -15.983 9.012 1.00 0.00 C ATOM 1278 CE2 TYR A 96 11.471 -13.592 8.989 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.137 -14.787 9.167 1.00 0.00 C ATOM 1280 OH TYR A 96 13.470 -14.783 9.513 1.00 0.00 O ATOM 0 H TYR A 96 8.944 -13.899 5.248 1.00 0.00 H new ATOM 0 HA TYR A 96 8.197 -15.739 6.217 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.504 -13.904 8.537 1.00 0.00 H new ATOM 0 HB3 TYR A 96 7.493 -15.655 8.610 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.615 -16.925 8.560 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.613 -12.664 8.513 1.00 0.00 H new ATOM 0 HE1 TYR A 96 11.999 -16.916 9.151 1.00 0.00 H new ATOM 0 HE2 TYR A 96 11.994 -12.655 9.113 1.00 0.00 H new ATOM 0 HH TYR A 96 13.788 -13.858 9.581 1.00 0.00 H new ATOM 1289 N GLY A 97 5.790 -14.744 5.128 1.00 0.00 N ATOM 1290 CA GLY A 97 4.391 -14.826 4.754 1.00 0.00 C ATOM 1291 C GLY A 97 3.508 -13.899 5.566 1.00 0.00 C ATOM 1292 O GLY A 97 2.344 -14.212 5.817 1.00 0.00 O ATOM 0 H GLY A 97 6.417 -14.483 4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.288 -14.584 3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.046 -15.852 4.881 1.00 0.00 H new ATOM 1296 N TYR A 98 4.049 -12.765 5.984 1.00 0.00 N ATOM 1297 CA TYR A 98 3.285 -11.816 6.771 1.00 0.00 C ATOM 1298 C TYR A 98 3.542 -10.402 6.267 1.00 0.00 C ATOM 1299 O TYR A 98 4.625 -10.103 5.757 1.00 0.00 O ATOM 1300 CB TYR A 98 3.645 -11.938 8.255 1.00 0.00 C ATOM 1301 CG TYR A 98 2.524 -11.513 9.178 1.00 0.00 C ATOM 1302 CD1 TYR A 98 1.567 -12.429 9.597 1.00 0.00 C ATOM 1303 CD2 TYR A 98 2.412 -10.201 9.617 1.00 0.00 C ATOM 1304 CE1 TYR A 98 0.530 -12.051 10.427 1.00 0.00 C ATOM 1305 CE2 TYR A 98 1.379 -9.814 10.450 1.00 0.00 C ATOM 1306 CZ TYR A 98 0.440 -10.743 10.851 1.00 0.00 C ATOM 1307 OH TYR A 98 -0.595 -10.362 11.675 1.00 0.00 O ATOM 0 H TYR A 98 5.010 -12.482 5.791 1.00 0.00 H new ATOM 0 HA TYR A 98 2.223 -12.038 6.662 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.914 -12.972 8.473 1.00 0.00 H new ATOM 0 HB3 TYR A 98 4.526 -11.329 8.460 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.635 -13.455 9.268 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.143 -9.471 9.303 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.206 -12.776 10.742 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.307 -8.790 10.785 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.513 -9.408 11.883 1.00 0.00 H new ATOM 1316 N MET A 99 2.530 -9.551 6.404 1.00 0.00 N ATOM 1317 CA MET A 99 2.598 -8.161 5.959 1.00 0.00 C ATOM 1318 C MET A 99 3.778 -7.412 6.568 1.00 0.00 C ATOM 1319 O MET A 99 3.964 -7.400 7.783 1.00 0.00 O ATOM 1320 CB MET A 99 1.303 -7.421 6.312 1.00 0.00 C ATOM 1321 CG MET A 99 1.031 -7.327 7.807 1.00 0.00 C ATOM 1322 SD MET A 99 -0.274 -6.154 8.206 1.00 0.00 S ATOM 1323 CE MET A 99 -0.311 -6.298 9.991 1.00 0.00 C ATOM 0 H MET A 99 1.637 -9.805 6.827 1.00 0.00 H new ATOM 0 HA MET A 99 2.734 -8.187 4.878 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.348 -6.414 5.897 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.465 -7.927 5.832 1.00 0.00 H new ATOM 0 HG2 MET A 99 0.756 -8.312 8.184 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.947 -7.033 8.320 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.073 -5.630 10.394 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.546 -7.326 10.268 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.663 -6.026 10.398 1.00 0.00 H new ATOM 1331 N GLU A 100 4.572 -6.798 5.706 1.00 0.00 N ATOM 1332 CA GLU A 100 5.720 -6.004 6.125 1.00 0.00 C ATOM 1333 C GLU A 100 5.842 -4.782 5.225 1.00 0.00 C ATOM 1334 O GLU A 100 6.653 -4.753 4.301 1.00 0.00 O ATOM 1335 CB GLU A 100 7.003 -6.831 6.077 1.00 0.00 C ATOM 1336 CG GLU A 100 7.144 -7.798 7.240 1.00 0.00 C ATOM 1337 CD GLU A 100 7.623 -7.123 8.512 1.00 0.00 C ATOM 1338 OE1 GLU A 100 6.803 -6.500 9.215 1.00 0.00 O ATOM 1339 OE2 GLU A 100 8.831 -7.213 8.816 1.00 0.00 O ATOM 0 H GLU A 100 4.440 -6.835 4.695 1.00 0.00 H new ATOM 0 HA GLU A 100 5.570 -5.683 7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.030 -7.392 5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 100 7.860 -6.158 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.182 -8.276 7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.844 -8.587 6.967 1.00 0.00 H new ATOM 1344 N PRO A 101 5.003 -3.767 5.466 1.00 0.00 N ATOM 1345 CA PRO A 101 5.003 -2.541 4.671 1.00 0.00 C ATOM 1346 C PRO A 101 6.253 -1.695 4.877 1.00 0.00 C ATOM 1347 O PRO A 101 6.327 -0.873 5.793 1.00 0.00 O ATOM 1348 CB PRO A 101 3.769 -1.794 5.156 1.00 0.00 C ATOM 1349 CG PRO A 101 3.521 -2.312 6.531 1.00 0.00 C ATOM 1350 CD PRO A 101 3.990 -3.738 6.534 1.00 0.00 C ATOM 0 HA PRO A 101 4.993 -2.763 3.604 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.937 -0.717 5.164 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.915 -1.978 4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.062 -1.723 7.272 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.463 -2.250 6.785 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.414 -4.019 7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.173 -4.430 6.331 1.00 0.00 H new ATOM 1355 N CYS A 102 7.226 -1.909 4.018 1.00 0.00 N ATOM 1356 CA CYS A 102 8.475 -1.175 4.068 1.00 0.00 C ATOM 1357 C CYS A 102 8.590 -0.248 2.868 1.00 0.00 C ATOM 1358 O CYS A 102 8.607 -0.697 1.721 1.00 0.00 O ATOM 1359 CB CYS A 102 9.665 -2.137 4.128 1.00 0.00 C ATOM 1360 SG CYS A 102 9.496 -3.610 3.059 1.00 0.00 S ATOM 0 H CYS A 102 7.175 -2.596 3.265 1.00 0.00 H new ATOM 0 HA CYS A 102 8.485 -0.569 4.974 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.568 -1.597 3.843 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.801 -2.464 5.159 1.00 0.00 H new ATOM 1364 N ARG A 103 8.630 1.046 3.133 1.00 0.00 N ATOM 1365 CA ARG A 103 8.740 2.026 2.067 1.00 0.00 C ATOM 1366 C ARG A 103 10.204 2.335 1.802 1.00 0.00 C ATOM 1367 O ARG A 103 11.026 2.323 2.717 1.00 0.00 O ATOM 1368 CB ARG A 103 7.984 3.319 2.408 1.00 0.00 C ATOM 1369 CG ARG A 103 8.750 4.280 3.313 1.00 0.00 C ATOM 1370 CD ARG A 103 8.877 3.758 4.733 1.00 0.00 C ATOM 1371 NE ARG A 103 7.569 3.577 5.363 1.00 0.00 N ATOM 1372 CZ ARG A 103 7.293 3.891 6.633 1.00 0.00 C ATOM 1373 NH1 ARG A 103 8.217 4.459 7.403 1.00 0.00 N ATOM 1374 NH2 ARG A 103 6.082 3.654 7.122 1.00 0.00 N ATOM 0 H ARG A 103 8.588 1.441 4.072 1.00 0.00 H new ATOM 0 HA ARG A 103 8.287 1.602 1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 103 7.734 3.834 1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 103 7.042 3.058 2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.745 4.449 2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 103 8.243 5.245 3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 103 9.411 2.808 4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.472 4.454 5.324 1.00 0.00 H new ATOM 0 HE ARG A 103 6.817 3.185 4.795 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.143 4.658 7.026 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.999 4.696 8.371 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.366 3.234 6.529 1.00 0.00 H new ATOM 0 HH22 ARG A 103 5.867 3.892 8.090 1.00 0.00 H new ATOM 1385 N ALA A 104 10.525 2.619 0.555 1.00 0.00 N ATOM 1386 CA ALA A 104 11.892 2.933 0.184 1.00 0.00 C ATOM 1387 C ALA A 104 12.081 4.431 0.027 1.00 0.00 C ATOM 1388 O ALA A 104 12.827 4.897 -0.838 1.00 0.00 O ATOM 1389 CB ALA A 104 12.252 2.226 -1.105 1.00 0.00 C ATOM 0 H ALA A 104 9.860 2.639 -0.218 1.00 0.00 H new ATOM 0 HA ALA A 104 12.552 2.588 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.280 2.467 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.155 1.149 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.580 2.553 -1.899 1.00 0.00 H new ATOM 1395 N SER A 105 11.384 5.184 0.853 1.00 0.00 N ATOM 1396 CA SER A 105 11.446 6.621 0.825 1.00 0.00 C ATOM 1397 C SER A 105 11.072 7.154 2.208 1.00 0.00 C ATOM 1398 O SER A 105 11.567 6.650 3.216 1.00 0.00 O ATOM 1399 CB SER A 105 10.508 7.137 -0.271 1.00 0.00 C ATOM 1400 OG SER A 105 10.961 6.743 -1.556 1.00 0.00 O ATOM 0 H SER A 105 10.757 4.809 1.565 1.00 0.00 H new ATOM 0 HA SER A 105 12.452 6.971 0.592 1.00 0.00 H new ATOM 0 HB2 SER A 105 9.502 6.754 -0.103 1.00 0.00 H new ATOM 0 HB3 SER A 105 10.448 8.224 -0.221 1.00 0.00 H new ATOM 0 HG SER A 105 11.752 6.172 -1.463 1.00 0.00 H new ATOM 1405 N ASN A 106 10.193 8.148 2.250 1.00 0.00 N ATOM 1406 CA ASN A 106 9.742 8.763 3.512 1.00 0.00 C ATOM 1407 C ASN A 106 10.916 9.450 4.224 1.00 0.00 C ATOM 1408 O ASN A 106 10.873 9.733 5.419 1.00 0.00 O ATOM 1409 CB ASN A 106 9.078 7.696 4.408 1.00 0.00 C ATOM 1410 CG ASN A 106 8.371 8.254 5.639 1.00 0.00 C ATOM 1411 OD1 ASN A 106 8.948 8.328 6.724 1.00 0.00 O ATOM 1412 ND2 ASN A 106 7.111 8.635 5.484 1.00 0.00 N ATOM 0 H ASN A 106 9.768 8.556 1.417 1.00 0.00 H new ATOM 0 HA ASN A 106 8.999 9.530 3.293 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.356 7.138 3.812 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.840 6.987 4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.588 9.004 6.279 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.664 8.560 4.570 1.00 0.00 H new ATOM 1418 N ALA A 107 11.960 9.738 3.455 1.00 0.00 N ATOM 1419 CA ALA A 107 13.154 10.385 3.983 1.00 0.00 C ATOM 1420 C ALA A 107 12.874 11.838 4.353 1.00 0.00 C ATOM 1421 O ALA A 107 11.944 12.457 3.829 1.00 0.00 O ATOM 1422 CB ALA A 107 14.284 10.302 2.967 1.00 0.00 C ATOM 0 H ALA A 107 12.003 9.532 2.457 1.00 0.00 H new ATOM 0 HA ALA A 107 13.454 9.862 4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 107 15.172 10.788 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 107 14.507 9.256 2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 107 13.983 10.802 2.046 1.00 0.00 H new ATOM 1428 N ASP A 108 13.686 12.374 5.252 1.00 0.00 N ATOM 1429 CA ASP A 108 13.535 13.750 5.708 1.00 0.00 C ATOM 1430 C ASP A 108 14.075 14.736 4.679 1.00 0.00 C ATOM 1431 O ASP A 108 15.273 15.020 4.643 1.00 0.00 O ATOM 1432 CB ASP A 108 14.249 13.954 7.045 1.00 0.00 C ATOM 1433 CG ASP A 108 14.194 15.395 7.512 1.00 0.00 C ATOM 1434 OD1 ASP A 108 13.105 15.854 7.907 1.00 0.00 O ATOM 1435 OD2 ASP A 108 15.240 16.079 7.477 1.00 0.00 O ATOM 0 H ASP A 108 14.463 11.873 5.684 1.00 0.00 H new ATOM 0 HA ASP A 108 12.469 13.939 5.839 1.00 0.00 H new ATOM 0 HB2 ASP A 108 13.794 13.312 7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 108 15.290 13.645 6.950 1.00 0.00 H new ATOM 1439 N HIS A 109 13.190 15.222 3.825 1.00 0.00 N ATOM 1440 CA HIS A 109 13.540 16.185 2.806 1.00 0.00 C ATOM 1441 C HIS A 109 12.268 16.854 2.303 1.00 0.00 C ATOM 1442 O HIS A 109 11.169 16.487 2.721 1.00 0.00 O ATOM 1443 CB HIS A 109 14.291 15.507 1.656 1.00 0.00 C ATOM 1444 CG HIS A 109 13.466 14.594 0.796 1.00 0.00 C ATOM 1445 ND1 HIS A 109 13.174 14.875 -0.518 1.00 0.00 N ATOM 1446 CD2 HIS A 109 12.900 13.394 1.052 1.00 0.00 C ATOM 1447 CE1 HIS A 109 12.466 13.892 -1.033 1.00 0.00 C ATOM 1448 NE2 HIS A 109 12.283 12.974 -0.102 1.00 0.00 N ATOM 0 H HIS A 109 12.205 14.956 3.823 1.00 0.00 H new ATOM 0 HA HIS A 109 14.202 16.940 3.230 1.00 0.00 H new ATOM 0 HB2 HIS A 109 14.725 16.280 1.023 1.00 0.00 H new ATOM 0 HB3 HIS A 109 15.119 14.935 2.073 1.00 0.00 H new ATOM 0 HD2 HIS A 109 12.927 12.862 1.992 1.00 0.00 H new ATOM 0 HE1 HIS A 109 12.097 13.844 -2.047 1.00 0.00 H new ATOM 0 HE2 HIS A 109 11.770 12.100 -0.219 1.00 0.00 H new ATOM 1456 N VAL A 110 12.407 17.821 1.409 1.00 0.00 N ATOM 1457 CA VAL A 110 11.252 18.525 0.875 1.00 0.00 C ATOM 1458 C VAL A 110 10.650 17.746 -0.285 1.00 0.00 C ATOM 1459 O VAL A 110 10.937 18.007 -1.454 1.00 0.00 O ATOM 1460 CB VAL A 110 11.616 19.956 0.420 1.00 0.00 C ATOM 1461 CG1 VAL A 110 10.378 20.716 -0.027 1.00 0.00 C ATOM 1462 CG2 VAL A 110 12.325 20.706 1.536 1.00 0.00 C ATOM 0 H VAL A 110 13.304 18.135 1.039 1.00 0.00 H new ATOM 0 HA VAL A 110 10.516 18.606 1.675 1.00 0.00 H new ATOM 0 HB VAL A 110 12.292 19.878 -0.431 1.00 0.00 H new ATOM 0 HG11 VAL A 110 10.662 21.720 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 110 9.911 20.192 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.672 20.781 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.574 21.712 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 110 11.671 20.767 2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 110 13.239 20.178 1.806 1.00 0.00 H new ATOM 1472 N LEU A 111 9.822 16.771 0.051 1.00 0.00 N ATOM 1473 CA LEU A 111 9.177 15.945 -0.955 1.00 0.00 C ATOM 1474 C LEU A 111 7.832 16.546 -1.353 1.00 0.00 C ATOM 1475 O LEU A 111 6.768 16.037 -1.004 1.00 0.00 O ATOM 1476 CB LEU A 111 9.028 14.489 -0.471 1.00 0.00 C ATOM 1477 CG LEU A 111 8.077 14.231 0.710 1.00 0.00 C ATOM 1478 CD1 LEU A 111 7.726 12.753 0.781 1.00 0.00 C ATOM 1479 CD2 LEU A 111 8.696 14.675 2.026 1.00 0.00 C ATOM 0 H LEU A 111 9.581 16.532 1.013 1.00 0.00 H new ATOM 0 HA LEU A 111 9.812 15.924 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 111 8.690 13.886 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.017 14.123 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 111 7.171 14.815 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.052 12.579 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.238 12.450 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.636 12.169 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.999 14.479 2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 111 9.620 14.123 2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.914 15.742 1.984 1.00 0.00 H new ATOM 1490 N LYS A 112 7.897 17.635 -2.106 1.00 0.00 N ATOM 1491 CA LYS A 112 6.704 18.334 -2.576 1.00 0.00 C ATOM 1492 C LYS A 112 6.075 17.601 -3.766 1.00 0.00 C ATOM 1493 O LYS A 112 5.652 18.224 -4.742 1.00 0.00 O ATOM 1494 CB LYS A 112 7.071 19.777 -2.957 1.00 0.00 C ATOM 1495 CG LYS A 112 8.197 19.878 -3.984 1.00 0.00 C ATOM 1496 CD LYS A 112 8.701 21.309 -4.151 1.00 0.00 C ATOM 1497 CE LYS A 112 7.606 22.252 -4.629 1.00 0.00 C ATOM 1498 NZ LYS A 112 8.115 23.634 -4.838 1.00 0.00 N ATOM 0 H LYS A 112 8.774 18.060 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 112 5.967 18.355 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.186 20.274 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.364 20.317 -2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.024 19.237 -3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.844 19.505 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.096 21.666 -3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.525 21.321 -4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.185 21.876 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.798 22.270 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.338 24.245 -5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.494 24.003 -3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.869 23.622 -5.554 1.00 0.00 H new ATOM 1508 N SER A 113 6.023 16.271 -3.661 1.00 0.00 N ATOM 1509 CA SER A 113 5.478 15.402 -4.702 1.00 0.00 C ATOM 1510 C SER A 113 6.168 15.680 -6.041 1.00 0.00 C ATOM 1511 O SER A 113 5.600 15.477 -7.114 1.00 0.00 O ATOM 1512 CB SER A 113 3.961 15.594 -4.804 1.00 0.00 C ATOM 1513 OG SER A 113 3.347 14.521 -5.501 1.00 0.00 O ATOM 0 H SER A 113 6.361 15.764 -2.843 1.00 0.00 H new ATOM 0 HA SER A 113 5.670 14.362 -4.438 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.535 15.671 -3.804 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.745 16.532 -5.315 1.00 0.00 H new ATOM 0 HG SER A 113 3.831 14.354 -6.337 1.00 0.00 H new ATOM 1518 N SER A 114 7.411 16.134 -5.957 1.00 0.00 N ATOM 1519 CA SER A 114 8.197 16.465 -7.127 1.00 0.00 C ATOM 1520 C SER A 114 9.655 16.623 -6.726 1.00 0.00 C ATOM 1521 O SER A 114 9.953 17.043 -5.606 1.00 0.00 O ATOM 1522 CB SER A 114 7.681 17.773 -7.747 1.00 0.00 C ATOM 1523 OG SER A 114 8.454 18.159 -8.873 1.00 0.00 O ATOM 0 H SER A 114 7.899 16.282 -5.073 1.00 0.00 H new ATOM 0 HA SER A 114 8.109 15.666 -7.863 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.640 17.649 -8.045 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.706 18.565 -6.999 1.00 0.00 H new ATOM 0 HG SER A 114 8.098 18.993 -9.244 1.00 0.00 H new ATOM 1528 N SER A 115 10.556 16.261 -7.628 1.00 0.00 N ATOM 1529 CA SER A 115 11.981 16.388 -7.379 1.00 0.00 C ATOM 1530 C SER A 115 12.397 17.838 -7.558 1.00 0.00 C ATOM 1531 O SER A 115 13.478 18.253 -7.134 1.00 0.00 O ATOM 1532 CB SER A 115 12.766 15.508 -8.341 1.00 0.00 C ATOM 1533 OG SER A 115 12.361 14.150 -8.239 1.00 0.00 O ATOM 0 H SER A 115 10.322 15.875 -8.543 1.00 0.00 H new ATOM 0 HA SER A 115 12.193 16.068 -6.359 1.00 0.00 H new ATOM 0 HB2 SER A 115 12.618 15.859 -9.362 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.832 15.590 -8.127 1.00 0.00 H new ATOM 0 HG SER A 115 12.879 13.606 -8.868 1.00 0.00 H new ATOM 1538 N GLU A 116 11.531 18.593 -8.214 1.00 0.00 N ATOM 1539 CA GLU A 116 11.766 19.993 -8.451 1.00 0.00 C ATOM 1540 C GLU A 116 10.493 20.777 -8.166 1.00 0.00 C ATOM 1541 O GLU A 116 10.481 21.565 -7.198 1.00 0.00 O ATOM 1542 CB GLU A 116 12.237 20.239 -9.886 1.00 0.00 C ATOM 1543 CG GLU A 116 12.519 21.703 -10.176 1.00 0.00 C ATOM 1544 CD GLU A 116 13.218 21.918 -11.499 1.00 0.00 C ATOM 1545 OE1 GLU A 116 14.465 21.832 -11.536 1.00 0.00 O ATOM 1546 OE2 GLU A 116 12.530 22.185 -12.506 1.00 0.00 O ATOM 0 H GLU A 116 10.650 18.246 -8.593 1.00 0.00 H new ATOM 0 HA GLU A 116 12.557 20.332 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.140 19.657 -10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 116 11.477 19.877 -10.579 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.580 22.256 -10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.133 22.115 -9.375 1.00 0.00 H new TER 1551 GLU A 116