USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 773 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 9 SER OG : rot 85:sc= 0.694 USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -1.95! C(o=-7!,f=-1.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.148 USER MOD Single : A 6 SER OG : rot 39:sc= 0.328 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.9!) USER MOD Single : A 18 SER OG : rot 73:sc= 0.917 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0568 X(o=-0.057,f=0.19) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.602 K(o=-0.6,f=-6.3!) USER MOD Single : A 35 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.051) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -28:sc= 0.964 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.047) USER MOD Single : A 63 HIS : no HD1:sc= -3.37! C(o=-3.4!,f=-3.3!) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.285 F(o=-1.6!,f=-0.29) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00191 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -4.54! C(o=-5.5!,f=-4.5!) USER MOD Single : A 81 GLN : amide:sc= 0.00773 K(o=0.0077,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -95:sc= 1.07 USER MOD Single : A 90 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.862) USER MOD Single : A 101 THR OG1 : rot 31:sc= 0.0853 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 59:sc= 0.178 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.109 -25.648 -6.064 1.00 0.00 N ATOM 2 CA GLY A 1 -16.157 -24.550 -6.073 1.00 0.00 C ATOM 3 C GLY A 1 -16.340 -23.676 -7.315 1.00 0.00 C ATOM 4 O GLY A 1 -16.101 -24.125 -8.435 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.964 -26.226 -5.212 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.077 -25.268 -6.064 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.968 -26.237 -6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.286 -23.945 -5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.141 -24.944 -6.048 1.00 0.00 H new ATOM 8 N SER A 2 -16.763 -22.444 -7.075 1.00 0.00 N ATOM 9 CA SER A 2 -16.981 -21.502 -8.160 1.00 0.00 C ATOM 10 C SER A 2 -17.149 -20.088 -7.601 1.00 0.00 C ATOM 11 O SER A 2 -16.375 -19.190 -7.931 1.00 0.00 O ATOM 12 CB SER A 2 -18.205 -21.893 -8.991 1.00 0.00 C ATOM 13 OG SER A 2 -17.953 -21.797 -10.390 1.00 0.00 O ATOM 0 H SER A 2 -16.961 -22.076 -6.145 1.00 0.00 H new ATOM 0 HA SER A 2 -16.109 -21.526 -8.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.499 -22.913 -8.745 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.043 -21.247 -8.728 1.00 0.00 H new ATOM 0 HG SER A 2 -18.758 -22.056 -10.886 1.00 0.00 H new ATOM 19 N SER A 3 -18.164 -19.934 -6.763 1.00 0.00 N ATOM 20 CA SER A 3 -18.443 -18.645 -6.155 1.00 0.00 C ATOM 21 C SER A 3 -17.561 -18.447 -4.920 1.00 0.00 C ATOM 22 O SER A 3 -17.491 -19.320 -4.057 1.00 0.00 O ATOM 23 CB SER A 3 -19.920 -18.522 -5.778 1.00 0.00 C ATOM 24 OG SER A 3 -20.779 -18.860 -6.864 1.00 0.00 O ATOM 0 H SER A 3 -18.803 -20.681 -6.491 1.00 0.00 H new ATOM 0 HA SER A 3 -18.216 -17.867 -6.884 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.133 -19.174 -4.931 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.128 -17.502 -5.455 1.00 0.00 H new ATOM 0 HG SER A 3 -21.713 -18.770 -6.582 1.00 0.00 H new ATOM 30 N GLY A 4 -16.911 -17.293 -4.875 1.00 0.00 N ATOM 31 CA GLY A 4 -16.037 -16.969 -3.761 1.00 0.00 C ATOM 32 C GLY A 4 -16.145 -15.488 -3.392 1.00 0.00 C ATOM 33 O GLY A 4 -16.472 -14.657 -4.237 1.00 0.00 O ATOM 0 H GLY A 4 -16.973 -16.571 -5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.299 -17.582 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.006 -17.208 -4.021 1.00 0.00 H new ATOM 37 N SER A 5 -15.862 -15.204 -2.129 1.00 0.00 N ATOM 38 CA SER A 5 -15.923 -13.838 -1.638 1.00 0.00 C ATOM 39 C SER A 5 -15.019 -13.681 -0.413 1.00 0.00 C ATOM 40 O SER A 5 -14.628 -14.670 0.204 1.00 0.00 O ATOM 41 CB SER A 5 -17.359 -13.440 -1.292 1.00 0.00 C ATOM 42 OG SER A 5 -18.240 -13.603 -2.401 1.00 0.00 O ATOM 0 H SER A 5 -15.590 -15.896 -1.431 1.00 0.00 H new ATOM 0 HA SER A 5 -15.572 -13.175 -2.429 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.712 -14.045 -0.457 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.378 -12.401 -0.963 1.00 0.00 H new ATOM 0 HG SER A 5 -19.147 -13.340 -2.140 1.00 0.00 H new ATOM 48 N SER A 6 -14.715 -12.431 -0.098 1.00 0.00 N ATOM 49 CA SER A 6 -13.865 -12.132 1.042 1.00 0.00 C ATOM 50 C SER A 6 -14.052 -10.674 1.466 1.00 0.00 C ATOM 51 O SER A 6 -14.579 -10.400 2.543 1.00 0.00 O ATOM 52 CB SER A 6 -12.394 -12.407 0.719 1.00 0.00 C ATOM 53 OG SER A 6 -11.989 -13.707 1.139 1.00 0.00 O ATOM 0 H SER A 6 -15.042 -11.613 -0.612 1.00 0.00 H new ATOM 0 HA SER A 6 -14.156 -12.783 1.866 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.234 -12.307 -0.354 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.770 -11.658 1.206 1.00 0.00 H new ATOM 0 HG SER A 6 -12.714 -14.345 0.973 1.00 0.00 H new ATOM 59 N GLY A 7 -13.609 -9.777 0.598 1.00 0.00 N ATOM 60 CA GLY A 7 -13.721 -8.354 0.869 1.00 0.00 C ATOM 61 C GLY A 7 -13.742 -7.548 -0.431 1.00 0.00 C ATOM 62 O GLY A 7 -14.139 -8.060 -1.477 1.00 0.00 O ATOM 0 H GLY A 7 -13.172 -10.008 -0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.631 -8.159 1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.884 -8.031 1.488 1.00 0.00 H new ATOM 66 N LYS A 8 -13.310 -6.300 -0.323 1.00 0.00 N ATOM 67 CA LYS A 8 -13.275 -5.418 -1.477 1.00 0.00 C ATOM 68 C LYS A 8 -11.856 -4.875 -1.656 1.00 0.00 C ATOM 69 O LYS A 8 -11.078 -4.837 -0.704 1.00 0.00 O ATOM 70 CB LYS A 8 -14.339 -4.326 -1.350 1.00 0.00 C ATOM 71 CG LYS A 8 -15.417 -4.483 -2.424 1.00 0.00 C ATOM 72 CD LYS A 8 -16.662 -5.168 -1.856 1.00 0.00 C ATOM 73 CE LYS A 8 -17.909 -4.310 -2.077 1.00 0.00 C ATOM 74 NZ LYS A 8 -18.758 -4.895 -3.139 1.00 0.00 N ATOM 0 H LYS A 8 -12.981 -5.879 0.546 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.523 -5.969 -2.384 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.796 -4.372 -0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.871 -3.346 -1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.685 -3.504 -2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.024 -5.067 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.796 -6.140 -2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.526 -5.351 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.476 -4.236 -1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.617 -3.297 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.600 -4.301 -3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.219 -4.943 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.052 -5.853 -2.860 1.00 0.00 H new ATOM 88 N SER A 9 -11.562 -4.469 -2.883 1.00 0.00 N ATOM 89 CA SER A 9 -10.250 -3.931 -3.198 1.00 0.00 C ATOM 90 C SER A 9 -10.372 -2.462 -3.608 1.00 0.00 C ATOM 91 O SER A 9 -11.120 -2.130 -4.526 1.00 0.00 O ATOM 92 CB SER A 9 -9.576 -4.738 -4.310 1.00 0.00 C ATOM 93 OG SER A 9 -10.098 -4.414 -5.596 1.00 0.00 O ATOM 0 H SER A 9 -12.210 -4.502 -3.670 1.00 0.00 H new ATOM 0 HA SER A 9 -9.628 -4.003 -2.306 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.503 -4.548 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.714 -5.802 -4.120 1.00 0.00 H new ATOM 0 HG SER A 9 -9.634 -3.626 -5.948 1.00 0.00 H new ATOM 99 N LEU A 10 -9.625 -1.621 -2.907 1.00 0.00 N ATOM 100 CA LEU A 10 -9.640 -0.195 -3.186 1.00 0.00 C ATOM 101 C LEU A 10 -8.278 0.226 -3.742 1.00 0.00 C ATOM 102 O LEU A 10 -7.275 -0.446 -3.509 1.00 0.00 O ATOM 103 CB LEU A 10 -10.067 0.589 -1.944 1.00 0.00 C ATOM 104 CG LEU A 10 -11.068 -0.108 -1.021 1.00 0.00 C ATOM 105 CD1 LEU A 10 -12.228 -0.705 -1.821 1.00 0.00 C ATOM 106 CD2 LEU A 10 -10.373 -1.157 -0.151 1.00 0.00 C ATOM 0 H LEU A 10 -9.005 -1.900 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.382 0.036 -3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.175 0.828 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.500 1.536 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.491 0.639 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.925 -1.195 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.745 0.089 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.842 -1.435 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.107 -1.638 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.905 -1.907 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.611 -0.675 0.461 1.00 0.00 H new ATOM 118 N THR A 11 -8.288 1.336 -4.465 1.00 0.00 N ATOM 119 CA THR A 11 -7.066 1.854 -5.056 1.00 0.00 C ATOM 120 C THR A 11 -6.621 3.126 -4.331 1.00 0.00 C ATOM 121 O THR A 11 -7.449 3.960 -3.968 1.00 0.00 O ATOM 122 CB THR A 11 -7.314 2.062 -6.551 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.220 1.019 -6.901 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.072 1.776 -7.397 1.00 0.00 C ATOM 0 H THR A 11 -9.123 1.891 -4.655 1.00 0.00 H new ATOM 0 HA THR A 11 -6.243 1.148 -4.944 1.00 0.00 H new ATOM 0 HB THR A 11 -7.643 3.087 -6.725 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.436 1.080 -7.855 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.303 1.939 -8.450 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.265 2.443 -7.095 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.762 0.742 -7.250 1.00 0.00 H new ATOM 132 N LEU A 12 -5.314 3.235 -4.142 1.00 0.00 N ATOM 133 CA LEU A 12 -4.750 4.391 -3.467 1.00 0.00 C ATOM 134 C LEU A 12 -3.450 4.799 -4.164 1.00 0.00 C ATOM 135 O LEU A 12 -2.616 3.950 -4.476 1.00 0.00 O ATOM 136 CB LEU A 12 -4.584 4.111 -1.972 1.00 0.00 C ATOM 137 CG LEU A 12 -5.023 2.724 -1.497 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.831 1.767 -1.424 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.770 2.812 -0.164 1.00 0.00 C ATOM 0 H LEU A 12 -4.630 2.542 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.429 5.241 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.534 4.247 -1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.150 4.859 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.719 2.316 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.170 0.789 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.380 1.672 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.093 2.158 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.071 1.813 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.117 3.249 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.655 3.437 -0.284 1.00 0.00 H new ATOM 151 N VAL A 13 -3.319 6.098 -4.388 1.00 0.00 N ATOM 152 CA VAL A 13 -2.135 6.629 -5.042 1.00 0.00 C ATOM 153 C VAL A 13 -1.172 7.171 -3.984 1.00 0.00 C ATOM 154 O VAL A 13 -1.497 8.121 -3.273 1.00 0.00 O ATOM 155 CB VAL A 13 -2.537 7.680 -6.079 1.00 0.00 C ATOM 156 CG1 VAL A 13 -1.309 8.416 -6.619 1.00 0.00 C ATOM 157 CG2 VAL A 13 -3.341 7.048 -7.217 1.00 0.00 C ATOM 0 H VAL A 13 -4.013 6.799 -4.128 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.612 5.841 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.175 8.412 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.623 9.157 -7.354 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.794 8.915 -5.798 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.634 7.701 -7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.614 7.817 -7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.738 6.285 -7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.245 6.591 -6.814 1.00 0.00 H new ATOM 167 N LEU A 14 -0.007 6.545 -3.914 1.00 0.00 N ATOM 168 CA LEU A 14 1.005 6.953 -2.954 1.00 0.00 C ATOM 169 C LEU A 14 2.161 7.628 -3.695 1.00 0.00 C ATOM 170 O LEU A 14 2.384 7.365 -4.876 1.00 0.00 O ATOM 171 CB LEU A 14 1.437 5.764 -2.093 1.00 0.00 C ATOM 172 CG LEU A 14 0.308 4.965 -1.437 1.00 0.00 C ATOM 173 CD1 LEU A 14 0.868 3.863 -0.536 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.652 5.889 -0.685 1.00 0.00 C ATOM 0 H LEU A 14 0.259 5.758 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 14 0.598 7.688 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.023 5.085 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.099 6.130 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.266 4.476 -2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.045 3.311 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.478 3.182 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.480 4.310 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.445 5.296 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.107 6.426 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.089 6.604 -1.382 1.00 0.00 H new ATOM 186 N HIS A 15 2.866 8.484 -2.970 1.00 0.00 N ATOM 187 CA HIS A 15 3.994 9.199 -3.544 1.00 0.00 C ATOM 188 C HIS A 15 5.215 9.045 -2.635 1.00 0.00 C ATOM 189 O HIS A 15 5.091 8.611 -1.491 1.00 0.00 O ATOM 190 CB HIS A 15 3.632 10.662 -3.808 1.00 0.00 C ATOM 191 CG HIS A 15 2.561 10.850 -4.855 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.841 11.244 -6.152 1.00 0.00 N ATOM 193 CD2 HIS A 15 1.207 10.694 -4.784 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.700 11.319 -6.822 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.689 10.978 -5.972 1.00 0.00 N ATOM 0 H HIS A 15 2.678 8.699 -1.991 1.00 0.00 H new ATOM 0 HA HIS A 15 4.248 8.768 -4.512 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.298 11.117 -2.876 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.529 11.197 -4.120 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.651 10.391 -3.909 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.590 11.601 -7.859 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.302 10.947 -6.211 1.00 0.00 H new ATOM 203 N ARG A 16 6.367 9.408 -3.179 1.00 0.00 N ATOM 204 CA ARG A 16 7.610 9.316 -2.432 1.00 0.00 C ATOM 205 C ARG A 16 8.145 10.714 -2.117 1.00 0.00 C ATOM 206 O ARG A 16 8.911 11.279 -2.896 1.00 0.00 O ATOM 207 CB ARG A 16 8.668 8.537 -3.216 1.00 0.00 C ATOM 208 CG ARG A 16 8.252 7.076 -3.395 1.00 0.00 C ATOM 209 CD ARG A 16 9.469 6.190 -3.671 1.00 0.00 C ATOM 210 NE ARG A 16 9.641 6.008 -5.130 1.00 0.00 N ATOM 211 CZ ARG A 16 10.257 6.890 -5.929 1.00 0.00 C ATOM 212 NH1 ARG A 16 10.762 8.020 -5.416 1.00 0.00 N ATOM 213 NH2 ARG A 16 10.367 6.642 -7.241 1.00 0.00 N ATOM 0 H ARG A 16 6.466 9.767 -4.129 1.00 0.00 H new ATOM 0 HA ARG A 16 7.400 8.786 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.816 8.999 -4.192 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.623 8.585 -2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.740 6.727 -2.498 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.543 6.994 -4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.364 6.644 -3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.341 5.221 -3.188 1.00 0.00 H new ATOM 0 HE ARG A 16 9.267 5.159 -5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.678 8.209 -4.417 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.231 8.691 -6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.982 5.782 -7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.836 7.313 -7.849 1.00 0.00 H new ATOM 227 N ASP A 17 7.720 11.232 -0.974 1.00 0.00 N ATOM 228 CA ASP A 17 8.147 12.554 -0.547 1.00 0.00 C ATOM 229 C ASP A 17 9.651 12.534 -0.268 1.00 0.00 C ATOM 230 O ASP A 17 10.269 13.584 -0.102 1.00 0.00 O ATOM 231 CB ASP A 17 7.433 12.974 0.740 1.00 0.00 C ATOM 232 CG ASP A 17 8.144 14.062 1.548 1.00 0.00 C ATOM 233 OD1 ASP A 17 8.159 15.213 1.060 1.00 0.00 O ATOM 234 OD2 ASP A 17 8.656 13.718 2.635 1.00 0.00 O ATOM 0 H ASP A 17 7.085 10.760 -0.330 1.00 0.00 H new ATOM 0 HA ASP A 17 7.904 13.260 -1.341 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.434 13.326 0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.309 12.095 1.373 1.00 0.00 H new ATOM 239 N SER A 18 10.197 11.327 -0.226 1.00 0.00 N ATOM 240 CA SER A 18 11.617 11.157 0.029 1.00 0.00 C ATOM 241 C SER A 18 11.886 9.753 0.575 1.00 0.00 C ATOM 242 O SER A 18 12.243 9.595 1.741 1.00 0.00 O ATOM 243 CB SER A 18 12.131 12.214 1.008 1.00 0.00 C ATOM 244 OG SER A 18 12.767 13.299 0.337 1.00 0.00 O ATOM 0 H SER A 18 9.681 10.458 -0.364 1.00 0.00 H new ATOM 0 HA SER A 18 12.151 11.283 -0.913 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.299 12.593 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.835 11.754 1.702 1.00 0.00 H new ATOM 0 HG SER A 18 12.090 13.852 -0.106 1.00 0.00 H new ATOM 250 N GLY A 19 11.703 8.770 -0.294 1.00 0.00 N ATOM 251 CA GLY A 19 11.921 7.384 0.086 1.00 0.00 C ATOM 252 C GLY A 19 11.369 7.107 1.486 1.00 0.00 C ATOM 253 O GLY A 19 12.117 6.745 2.392 1.00 0.00 O ATOM 0 H GLY A 19 11.406 8.906 -1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.439 6.725 -0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.987 7.159 0.060 1.00 0.00 H new ATOM 257 N SER A 20 10.063 7.287 1.619 1.00 0.00 N ATOM 258 CA SER A 20 9.401 7.060 2.892 1.00 0.00 C ATOM 259 C SER A 20 7.989 6.521 2.660 1.00 0.00 C ATOM 260 O SER A 20 7.560 5.583 3.331 1.00 0.00 O ATOM 261 CB SER A 20 9.349 8.345 3.722 1.00 0.00 C ATOM 262 OG SER A 20 9.685 8.112 5.087 1.00 0.00 O ATOM 0 H SER A 20 9.445 7.588 0.865 1.00 0.00 H new ATOM 0 HA SER A 20 9.977 6.322 3.450 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.036 9.078 3.299 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.349 8.775 3.663 1.00 0.00 H new ATOM 0 HG SER A 20 9.642 8.956 5.583 1.00 0.00 H new ATOM 268 N LEU A 21 7.304 7.137 1.708 1.00 0.00 N ATOM 269 CA LEU A 21 5.948 6.730 1.378 1.00 0.00 C ATOM 270 C LEU A 21 5.016 7.095 2.535 1.00 0.00 C ATOM 271 O LEU A 21 3.818 6.820 2.482 1.00 0.00 O ATOM 272 CB LEU A 21 5.910 5.248 1.001 1.00 0.00 C ATOM 273 CG LEU A 21 6.346 4.907 -0.425 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.468 5.623 -1.453 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.832 5.209 -0.631 1.00 0.00 C ATOM 0 H LEU A 21 7.662 7.915 1.154 1.00 0.00 H new ATOM 0 HA LEU A 21 5.592 7.267 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.547 4.701 1.695 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.893 4.883 1.146 1.00 0.00 H new ATOM 0 HG LEU A 21 6.211 3.836 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.799 5.363 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.430 5.316 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.548 6.701 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.116 4.958 -1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.016 6.269 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.424 4.616 0.066 1.00 0.00 H new ATOM 287 N GLY A 22 5.601 7.707 3.554 1.00 0.00 N ATOM 288 CA GLY A 22 4.837 8.112 4.722 1.00 0.00 C ATOM 289 C GLY A 22 4.110 6.918 5.343 1.00 0.00 C ATOM 290 O GLY A 22 2.963 7.038 5.769 1.00 0.00 O ATOM 0 H GLY A 22 6.595 7.932 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.503 8.560 5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.113 8.877 4.440 1.00 0.00 H new ATOM 294 N PHE A 23 4.808 5.792 5.375 1.00 0.00 N ATOM 295 CA PHE A 23 4.244 4.577 5.936 1.00 0.00 C ATOM 296 C PHE A 23 5.264 3.436 5.913 1.00 0.00 C ATOM 297 O PHE A 23 6.418 3.639 5.540 1.00 0.00 O ATOM 298 CB PHE A 23 3.048 4.193 5.062 1.00 0.00 C ATOM 299 CG PHE A 23 3.397 3.249 3.910 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.417 3.556 3.064 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.688 2.102 3.732 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.741 2.680 1.995 1.00 0.00 C ATOM 303 CE2 PHE A 23 3.012 1.226 2.662 1.00 0.00 C ATOM 304 CZ PHE A 23 4.032 1.533 1.816 1.00 0.00 C ATOM 0 H PHE A 23 5.760 5.696 5.021 1.00 0.00 H new ATOM 0 HA PHE A 23 3.953 4.747 6.972 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.290 3.721 5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.604 5.100 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.980 4.466 3.206 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.879 1.857 4.404 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.551 2.924 1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.448 0.316 2.520 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.279 0.867 1.003 1.00 0.00 H new ATOM 314 N ASN A 24 4.801 2.263 6.317 1.00 0.00 N ATOM 315 CA ASN A 24 5.658 1.090 6.348 1.00 0.00 C ATOM 316 C ASN A 24 4.836 -0.147 5.982 1.00 0.00 C ATOM 317 O ASN A 24 3.674 -0.033 5.596 1.00 0.00 O ATOM 318 CB ASN A 24 6.244 0.873 7.744 1.00 0.00 C ATOM 319 CG ASN A 24 7.767 1.023 7.729 1.00 0.00 C ATOM 320 OD1 ASN A 24 8.326 1.879 7.063 1.00 0.00 O ATOM 321 ND2 ASN A 24 8.405 0.145 8.498 1.00 0.00 N ATOM 0 H ASN A 24 3.843 2.099 6.626 1.00 0.00 H new ATOM 0 HA ASN A 24 6.469 1.246 5.637 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.811 1.592 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.976 -0.120 8.104 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.423 0.163 8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.876 -0.546 9.030 1.00 0.00 H new ATOM 328 N ILE A 25 5.472 -1.302 6.117 1.00 0.00 N ATOM 329 CA ILE A 25 4.814 -2.559 5.806 1.00 0.00 C ATOM 330 C ILE A 25 5.410 -3.670 6.673 1.00 0.00 C ATOM 331 O ILE A 25 6.533 -3.548 7.159 1.00 0.00 O ATOM 332 CB ILE A 25 4.886 -2.845 4.305 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.208 -2.349 3.715 1.00 0.00 C ATOM 334 CG2 ILE A 25 3.677 -2.256 3.576 1.00 0.00 C ATOM 335 CD1 ILE A 25 6.309 -2.693 2.228 1.00 0.00 C ATOM 0 H ILE A 25 6.436 -1.393 6.438 1.00 0.00 H new ATOM 0 HA ILE A 25 3.752 -2.502 6.045 1.00 0.00 H new ATOM 0 HB ILE A 25 4.854 -3.925 4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.288 -1.270 3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.042 -2.799 4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.753 -2.474 2.511 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.763 -2.698 3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.653 -1.177 3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.258 -2.329 1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.254 -3.774 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.488 -2.221 1.689 1.00 0.00 H new ATOM 347 N ILE A 26 4.632 -4.730 6.839 1.00 0.00 N ATOM 348 CA ILE A 26 5.069 -5.861 7.639 1.00 0.00 C ATOM 349 C ILE A 26 4.926 -7.145 6.819 1.00 0.00 C ATOM 350 O ILE A 26 4.271 -7.151 5.777 1.00 0.00 O ATOM 351 CB ILE A 26 4.321 -5.897 8.972 1.00 0.00 C ATOM 352 CG1 ILE A 26 2.959 -6.577 8.819 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.196 -4.493 9.568 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.330 -6.860 10.185 1.00 0.00 C ATOM 0 H ILE A 26 3.702 -4.829 6.433 1.00 0.00 H new ATOM 0 HA ILE A 26 6.124 -5.761 7.895 1.00 0.00 H new ATOM 0 HB ILE A 26 4.902 -6.495 9.674 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.295 -5.941 8.234 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.074 -7.510 8.268 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.660 -4.546 10.516 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.190 -4.079 9.736 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.648 -3.852 8.877 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.363 -7.343 10.047 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.985 -7.516 10.758 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.193 -5.922 10.724 1.00 0.00 H new ATOM 366 N GLY A 27 5.549 -8.202 7.319 1.00 0.00 N ATOM 367 CA GLY A 27 5.498 -9.489 6.646 1.00 0.00 C ATOM 368 C GLY A 27 6.675 -9.649 5.682 1.00 0.00 C ATOM 369 O GLY A 27 7.113 -8.679 5.064 1.00 0.00 O ATOM 0 H GLY A 27 6.092 -8.194 8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.516 -10.291 7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.560 -9.581 6.099 1.00 0.00 H new ATOM 373 N GLY A 28 7.154 -10.880 5.582 1.00 0.00 N ATOM 374 CA GLY A 28 8.271 -11.180 4.703 1.00 0.00 C ATOM 375 C GLY A 28 9.203 -12.216 5.334 1.00 0.00 C ATOM 376 O GLY A 28 9.186 -12.414 6.548 1.00 0.00 O ATOM 0 H GLY A 28 6.789 -11.682 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.898 -11.554 3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.827 -10.267 4.491 1.00 0.00 H new ATOM 380 N ARG A 29 9.994 -12.851 4.482 1.00 0.00 N ATOM 381 CA ARG A 29 10.931 -13.862 4.941 1.00 0.00 C ATOM 382 C ARG A 29 12.354 -13.501 4.512 1.00 0.00 C ATOM 383 O ARG A 29 12.593 -13.179 3.349 1.00 0.00 O ATOM 384 CB ARG A 29 10.571 -15.241 4.383 1.00 0.00 C ATOM 385 CG ARG A 29 10.624 -16.307 5.479 1.00 0.00 C ATOM 386 CD ARG A 29 10.210 -17.675 4.934 1.00 0.00 C ATOM 387 NE ARG A 29 11.408 -18.439 4.519 1.00 0.00 N ATOM 388 CZ ARG A 29 12.205 -19.105 5.366 1.00 0.00 C ATOM 389 NH1 ARG A 29 11.936 -19.105 6.679 1.00 0.00 N ATOM 390 NH2 ARG A 29 13.270 -19.770 4.901 1.00 0.00 N ATOM 0 H ARG A 29 10.005 -12.685 3.476 1.00 0.00 H new ATOM 0 HA ARG A 29 10.874 -13.897 6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.572 -15.212 3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.261 -15.504 3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.633 -16.364 5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.964 -16.024 6.299 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.662 -18.228 5.696 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.537 -17.549 4.086 1.00 0.00 H new ATOM 0 HE ARG A 29 11.642 -18.460 3.526 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.125 -18.598 7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.542 -19.612 7.324 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.475 -19.770 3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.876 -20.277 5.546 1.00 0.00 H new ATOM 404 N PRO A 30 13.287 -13.569 5.499 1.00 0.00 N ATOM 405 CA PRO A 30 14.681 -13.253 5.235 1.00 0.00 C ATOM 406 C PRO A 30 15.363 -14.385 4.465 1.00 0.00 C ATOM 407 O PRO A 30 16.304 -15.000 4.963 1.00 0.00 O ATOM 408 CB PRO A 30 15.295 -13.011 6.603 1.00 0.00 C ATOM 409 CG PRO A 30 14.348 -13.651 7.605 1.00 0.00 C ATOM 410 CD PRO A 30 13.041 -13.947 6.888 1.00 0.00 C ATOM 0 HA PRO A 30 14.801 -12.376 4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.289 -13.453 6.668 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.407 -11.944 6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.780 -14.568 8.006 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.177 -12.983 8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.774 -15.001 6.970 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.217 -13.375 7.314 1.00 0.00 H new ATOM 418 N SER A 31 14.862 -14.626 3.262 1.00 0.00 N ATOM 419 CA SER A 31 15.411 -15.674 2.418 1.00 0.00 C ATOM 420 C SER A 31 16.904 -15.431 2.189 1.00 0.00 C ATOM 421 O SER A 31 17.332 -14.291 2.015 1.00 0.00 O ATOM 422 CB SER A 31 14.674 -15.747 1.080 1.00 0.00 C ATOM 423 OG SER A 31 13.272 -15.940 1.253 1.00 0.00 O ATOM 0 H SER A 31 14.082 -14.113 2.852 1.00 0.00 H new ATOM 0 HA SER A 31 15.278 -16.629 2.927 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.847 -14.828 0.520 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.082 -16.564 0.485 1.00 0.00 H new ATOM 0 HG SER A 31 12.837 -15.980 0.376 1.00 0.00 H new ATOM 429 N VAL A 32 17.656 -16.522 2.196 1.00 0.00 N ATOM 430 CA VAL A 32 19.093 -16.442 1.990 1.00 0.00 C ATOM 431 C VAL A 32 19.524 -17.531 1.006 1.00 0.00 C ATOM 432 O VAL A 32 20.083 -18.550 1.408 1.00 0.00 O ATOM 433 CB VAL A 32 19.819 -16.529 3.334 1.00 0.00 C ATOM 434 CG1 VAL A 32 19.364 -15.414 4.277 1.00 0.00 C ATOM 435 CG2 VAL A 32 19.622 -17.904 3.976 1.00 0.00 C ATOM 0 H VAL A 32 17.298 -17.466 2.341 1.00 0.00 H new ATOM 0 HA VAL A 32 19.364 -15.482 1.551 1.00 0.00 H new ATOM 0 HB VAL A 32 20.885 -16.396 3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 32 19.896 -15.499 5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 32 19.580 -14.445 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.292 -15.501 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 32 20.148 -17.939 4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 32 18.559 -18.079 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 32 20.018 -18.674 3.315 1.00 0.00 H new ATOM 445 N ASP A 33 19.248 -17.278 -0.265 1.00 0.00 N ATOM 446 CA ASP A 33 19.600 -18.224 -1.310 1.00 0.00 C ATOM 447 C ASP A 33 18.875 -19.547 -1.060 1.00 0.00 C ATOM 448 O ASP A 33 19.111 -20.207 -0.049 1.00 0.00 O ATOM 449 CB ASP A 33 21.104 -18.503 -1.316 1.00 0.00 C ATOM 450 CG ASP A 33 21.986 -17.290 -1.620 1.00 0.00 C ATOM 451 OD1 ASP A 33 21.863 -16.297 -0.871 1.00 0.00 O ATOM 452 OD2 ASP A 33 22.763 -17.382 -2.595 1.00 0.00 O ATOM 0 H ASP A 33 18.785 -16.431 -0.595 1.00 0.00 H new ATOM 0 HA ASP A 33 19.309 -17.792 -2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.388 -18.905 -0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 33 21.311 -19.278 -2.054 1.00 0.00 H new ATOM 457 N ASN A 34 18.007 -19.896 -1.998 1.00 0.00 N ATOM 458 CA ASN A 34 17.245 -21.130 -1.891 1.00 0.00 C ATOM 459 C ASN A 34 16.261 -21.219 -3.060 1.00 0.00 C ATOM 460 O ASN A 34 15.395 -20.359 -3.214 1.00 0.00 O ATOM 461 CB ASN A 34 16.440 -21.169 -0.591 1.00 0.00 C ATOM 462 CG ASN A 34 15.611 -19.895 -0.421 1.00 0.00 C ATOM 463 OD1 ASN A 34 16.129 -18.807 -0.229 1.00 0.00 O ATOM 464 ND2 ASN A 34 14.298 -20.090 -0.501 1.00 0.00 N ATOM 0 H ASN A 34 17.814 -19.347 -2.835 1.00 0.00 H new ATOM 0 HA ASN A 34 17.948 -21.963 -1.905 1.00 0.00 H new ATOM 0 HB2 ASN A 34 15.782 -22.038 -0.593 1.00 0.00 H new ATOM 0 HB3 ASN A 34 17.116 -21.283 0.256 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.658 -19.302 -0.400 1.00 0.00 H new ATOM 0 HD22 ASN A 34 13.931 -21.028 -0.664 1.00 0.00 H new ATOM 471 N HIS A 35 16.428 -22.267 -3.853 1.00 0.00 N ATOM 472 CA HIS A 35 15.565 -22.479 -5.003 1.00 0.00 C ATOM 473 C HIS A 35 14.950 -23.879 -4.931 1.00 0.00 C ATOM 474 O HIS A 35 15.342 -24.772 -5.680 1.00 0.00 O ATOM 475 CB HIS A 35 16.327 -22.233 -6.307 1.00 0.00 C ATOM 476 CG HIS A 35 17.687 -22.887 -6.357 1.00 0.00 C ATOM 477 ND1 HIS A 35 17.936 -24.044 -7.076 1.00 0.00 N ATOM 478 CD2 HIS A 35 18.867 -22.536 -5.772 1.00 0.00 C ATOM 479 CE1 HIS A 35 19.212 -24.365 -6.922 1.00 0.00 C ATOM 480 NE2 HIS A 35 19.787 -23.429 -6.113 1.00 0.00 N ATOM 0 H HIS A 35 17.147 -22.978 -3.722 1.00 0.00 H new ATOM 0 HA HIS A 35 14.747 -21.759 -4.987 1.00 0.00 H new ATOM 0 HB2 HIS A 35 15.728 -22.600 -7.140 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.446 -21.159 -6.449 1.00 0.00 H new ATOM 0 HD2 HIS A 35 19.026 -21.676 -5.138 1.00 0.00 H new ATOM 0 HE1 HIS A 35 19.710 -25.218 -7.360 1.00 0.00 H new ATOM 0 HE2 HIS A 35 20.764 -23.418 -5.819 1.00 0.00 H new ATOM 488 N ASP A 36 13.996 -24.025 -4.023 1.00 0.00 N ATOM 489 CA ASP A 36 13.323 -25.300 -3.844 1.00 0.00 C ATOM 490 C ASP A 36 12.337 -25.192 -2.680 1.00 0.00 C ATOM 491 O ASP A 36 12.709 -25.396 -1.525 1.00 0.00 O ATOM 492 CB ASP A 36 14.324 -26.410 -3.514 1.00 0.00 C ATOM 493 CG ASP A 36 14.611 -27.383 -4.659 1.00 0.00 C ATOM 494 OD1 ASP A 36 14.051 -27.154 -5.753 1.00 0.00 O ATOM 495 OD2 ASP A 36 15.384 -28.334 -4.415 1.00 0.00 O ATOM 0 H ASP A 36 13.673 -23.282 -3.404 1.00 0.00 H new ATOM 0 HA ASP A 36 12.808 -25.543 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.263 -25.951 -3.203 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.948 -26.976 -2.662 1.00 0.00 H new ATOM 500 N GLY A 37 11.098 -24.872 -3.023 1.00 0.00 N ATOM 501 CA GLY A 37 10.055 -24.734 -2.021 1.00 0.00 C ATOM 502 C GLY A 37 10.378 -23.600 -1.046 1.00 0.00 C ATOM 503 O GLY A 37 11.536 -23.397 -0.686 1.00 0.00 O ATOM 0 H GLY A 37 10.793 -24.704 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.100 -24.538 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.946 -25.670 -1.473 1.00 0.00 H new ATOM 507 N SER A 38 9.332 -22.890 -0.647 1.00 0.00 N ATOM 508 CA SER A 38 9.490 -21.782 0.279 1.00 0.00 C ATOM 509 C SER A 38 8.118 -21.260 0.709 1.00 0.00 C ATOM 510 O SER A 38 7.152 -21.347 -0.047 1.00 0.00 O ATOM 511 CB SER A 38 10.314 -20.654 -0.346 1.00 0.00 C ATOM 512 OG SER A 38 9.736 -20.180 -1.559 1.00 0.00 O ATOM 0 H SER A 38 8.373 -23.061 -0.948 1.00 0.00 H new ATOM 0 HA SER A 38 10.026 -22.144 1.156 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.397 -19.830 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.326 -21.009 -0.541 1.00 0.00 H new ATOM 0 HG SER A 38 10.290 -19.460 -1.926 1.00 0.00 H new ATOM 518 N SER A 39 8.075 -20.730 1.923 1.00 0.00 N ATOM 519 CA SER A 39 6.837 -20.194 2.462 1.00 0.00 C ATOM 520 C SER A 39 6.443 -18.923 1.706 1.00 0.00 C ATOM 521 O SER A 39 7.235 -18.385 0.935 1.00 0.00 O ATOM 522 CB SER A 39 6.970 -19.902 3.958 1.00 0.00 C ATOM 523 OG SER A 39 6.555 -21.007 4.757 1.00 0.00 O ATOM 0 H SER A 39 8.878 -20.661 2.548 1.00 0.00 H new ATOM 0 HA SER A 39 6.055 -20.942 2.333 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.007 -19.657 4.189 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.372 -19.027 4.211 1.00 0.00 H new ATOM 0 HG SER A 39 6.657 -20.782 5.705 1.00 0.00 H new ATOM 529 N SER A 40 5.219 -18.481 1.954 1.00 0.00 N ATOM 530 CA SER A 40 4.710 -17.285 1.306 1.00 0.00 C ATOM 531 C SER A 40 4.104 -16.343 2.349 1.00 0.00 C ATOM 532 O SER A 40 3.088 -16.663 2.964 1.00 0.00 O ATOM 533 CB SER A 40 3.670 -17.635 0.240 1.00 0.00 C ATOM 534 OG SER A 40 4.276 -18.088 -0.968 1.00 0.00 O ATOM 0 H SER A 40 4.565 -18.930 2.595 1.00 0.00 H new ATOM 0 HA SER A 40 5.542 -16.784 0.812 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.004 -18.408 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.056 -16.759 0.031 1.00 0.00 H new ATOM 0 HG SER A 40 3.579 -18.303 -1.623 1.00 0.00 H new ATOM 540 N GLU A 41 4.754 -15.200 2.516 1.00 0.00 N ATOM 541 CA GLU A 41 4.292 -14.209 3.473 1.00 0.00 C ATOM 542 C GLU A 41 3.367 -13.201 2.789 1.00 0.00 C ATOM 543 O GLU A 41 3.167 -13.259 1.577 1.00 0.00 O ATOM 544 CB GLU A 41 5.472 -13.504 4.145 1.00 0.00 C ATOM 545 CG GLU A 41 6.265 -14.475 5.021 1.00 0.00 C ATOM 546 CD GLU A 41 5.577 -14.683 6.372 1.00 0.00 C ATOM 547 OE1 GLU A 41 5.016 -13.689 6.881 1.00 0.00 O ATOM 548 OE2 GLU A 41 5.629 -15.830 6.864 1.00 0.00 O ATOM 0 H GLU A 41 5.597 -14.938 2.005 1.00 0.00 H new ATOM 0 HA GLU A 41 3.726 -14.720 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.126 -13.078 3.385 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.107 -12.676 4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.366 -15.432 4.509 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.272 -14.089 5.178 1.00 0.00 H new ATOM 555 N GLY A 42 2.827 -12.299 3.596 1.00 0.00 N ATOM 556 CA GLY A 42 1.928 -11.279 3.083 1.00 0.00 C ATOM 557 C GLY A 42 2.445 -9.877 3.412 1.00 0.00 C ATOM 558 O GLY A 42 3.310 -9.716 4.272 1.00 0.00 O ATOM 0 H GLY A 42 2.995 -12.253 4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.826 -11.389 2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.935 -11.415 3.512 1.00 0.00 H new ATOM 562 N ILE A 43 1.893 -8.898 2.711 1.00 0.00 N ATOM 563 CA ILE A 43 2.288 -7.515 2.917 1.00 0.00 C ATOM 564 C ILE A 43 1.128 -6.748 3.555 1.00 0.00 C ATOM 565 O ILE A 43 0.004 -6.788 3.057 1.00 0.00 O ATOM 566 CB ILE A 43 2.786 -6.899 1.609 1.00 0.00 C ATOM 567 CG1 ILE A 43 3.902 -7.746 0.993 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.219 -5.446 1.816 1.00 0.00 C ATOM 569 CD1 ILE A 43 4.921 -8.166 2.054 1.00 0.00 C ATOM 0 H ILE A 43 1.175 -9.035 1.999 1.00 0.00 H new ATOM 0 HA ILE A 43 3.128 -7.458 3.609 1.00 0.00 H new ATOM 0 HB ILE A 43 1.958 -6.891 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.474 -8.632 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.402 -7.179 0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.569 -5.032 0.870 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.372 -4.862 2.177 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.025 -5.407 2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.703 -8.767 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.365 -7.278 2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.422 -8.753 2.825 1.00 0.00 H new ATOM 581 N PHE A 44 1.440 -6.068 4.649 1.00 0.00 N ATOM 582 CA PHE A 44 0.438 -5.294 5.360 1.00 0.00 C ATOM 583 C PHE A 44 1.048 -4.024 5.957 1.00 0.00 C ATOM 584 O PHE A 44 2.227 -4.002 6.306 1.00 0.00 O ATOM 585 CB PHE A 44 -0.086 -6.175 6.496 1.00 0.00 C ATOM 586 CG PHE A 44 -0.845 -7.416 6.021 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.159 -8.508 5.588 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.205 -7.427 6.031 1.00 0.00 C ATOM 589 CE1 PHE A 44 -0.864 -9.660 5.147 1.00 0.00 C ATOM 590 CE2 PHE A 44 -2.909 -8.578 5.590 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.223 -9.670 5.157 1.00 0.00 C ATOM 0 H PHE A 44 2.373 -6.038 5.060 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.357 -4.997 4.675 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.754 -6.490 7.115 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.743 -5.580 7.130 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.921 -8.499 5.579 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.749 -6.560 6.375 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.320 -10.528 4.804 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.989 -8.587 5.598 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.759 -10.546 4.821 1.00 0.00 H new ATOM 601 N VAL A 45 0.217 -2.996 6.055 1.00 0.00 N ATOM 602 CA VAL A 45 0.660 -1.725 6.603 1.00 0.00 C ATOM 603 C VAL A 45 0.432 -1.720 8.116 1.00 0.00 C ATOM 604 O VAL A 45 -0.692 -1.913 8.578 1.00 0.00 O ATOM 605 CB VAL A 45 -0.046 -0.572 5.888 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.338 0.774 6.505 1.00 0.00 C ATOM 607 CG2 VAL A 45 0.254 -0.592 4.387 1.00 0.00 C ATOM 0 H VAL A 45 -0.760 -3.018 5.764 1.00 0.00 H new ATOM 0 HA VAL A 45 1.728 -1.588 6.435 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.120 -0.706 6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.178 1.576 5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.051 0.787 7.556 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.415 0.919 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.260 0.238 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.328 -0.496 4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.092 -1.533 3.959 1.00 0.00 H new ATOM 617 N SER A 46 1.515 -1.497 8.845 1.00 0.00 N ATOM 618 CA SER A 46 1.446 -1.463 10.296 1.00 0.00 C ATOM 619 C SER A 46 1.858 -0.082 10.808 1.00 0.00 C ATOM 620 O SER A 46 1.936 0.139 12.016 1.00 0.00 O ATOM 621 CB SER A 46 2.335 -2.545 10.915 1.00 0.00 C ATOM 622 OG SER A 46 2.312 -2.504 12.339 1.00 0.00 O ATOM 0 H SER A 46 2.445 -1.338 8.458 1.00 0.00 H new ATOM 0 HA SER A 46 0.416 -1.661 10.594 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.002 -3.526 10.575 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.359 -2.417 10.565 1.00 0.00 H new ATOM 0 HG SER A 46 2.129 -1.588 12.637 1.00 0.00 H new ATOM 628 N LYS A 47 2.111 0.813 9.864 1.00 0.00 N ATOM 629 CA LYS A 47 2.513 2.167 10.204 1.00 0.00 C ATOM 630 C LYS A 47 2.134 3.109 9.061 1.00 0.00 C ATOM 631 O LYS A 47 2.138 2.712 7.897 1.00 0.00 O ATOM 632 CB LYS A 47 3.998 2.209 10.569 1.00 0.00 C ATOM 633 CG LYS A 47 4.250 3.168 11.735 1.00 0.00 C ATOM 634 CD LYS A 47 5.470 4.051 11.466 1.00 0.00 C ATOM 635 CE LYS A 47 5.799 4.917 12.683 1.00 0.00 C ATOM 636 NZ LYS A 47 7.263 4.976 12.896 1.00 0.00 N ATOM 0 H LYS A 47 2.045 0.626 8.863 1.00 0.00 H new ATOM 0 HA LYS A 47 1.981 2.511 11.091 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.339 1.209 10.836 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.580 2.523 9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.371 3.794 11.892 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.404 2.599 12.652 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.328 3.426 11.217 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.279 4.688 10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.406 5.923 12.538 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.313 4.509 13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.469 5.568 13.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.630 4.016 13.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.720 5.386 12.056 1.00 0.00 H new ATOM 650 N ILE A 48 1.816 4.341 9.432 1.00 0.00 N ATOM 651 CA ILE A 48 1.435 5.343 8.451 1.00 0.00 C ATOM 652 C ILE A 48 1.748 6.735 9.003 1.00 0.00 C ATOM 653 O ILE A 48 1.295 7.093 10.090 1.00 0.00 O ATOM 654 CB ILE A 48 -0.027 5.160 8.038 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.227 3.835 7.300 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.518 6.354 7.217 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.646 3.728 6.739 1.00 0.00 C ATOM 0 H ILE A 48 1.814 4.668 10.398 1.00 0.00 H new ATOM 0 HA ILE A 48 2.018 5.223 7.538 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.635 5.119 8.942 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.496 3.754 6.488 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.037 3.004 7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.560 6.199 6.936 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.434 7.264 7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.090 6.451 6.317 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.761 2.777 6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.365 3.785 7.556 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.824 4.546 6.041 1.00 0.00 H new ATOM 669 N VAL A 49 2.521 7.484 8.230 1.00 0.00 N ATOM 670 CA VAL A 49 2.900 8.829 8.628 1.00 0.00 C ATOM 671 C VAL A 49 1.748 9.789 8.326 1.00 0.00 C ATOM 672 O VAL A 49 1.331 9.922 7.177 1.00 0.00 O ATOM 673 CB VAL A 49 4.207 9.228 7.941 1.00 0.00 C ATOM 674 CG1 VAL A 49 4.639 10.635 8.360 1.00 0.00 C ATOM 675 CG2 VAL A 49 5.311 8.208 8.227 1.00 0.00 C ATOM 0 H VAL A 49 2.895 7.185 7.330 1.00 0.00 H new ATOM 0 HA VAL A 49 3.086 8.872 9.701 1.00 0.00 H new ATOM 0 HB VAL A 49 4.030 9.238 6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.571 10.894 7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.865 11.351 8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.789 10.663 9.439 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.229 8.516 7.727 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.485 8.151 9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.007 7.229 7.857 1.00 0.00 H new ATOM 685 N ASP A 50 1.267 10.434 9.378 1.00 0.00 N ATOM 686 CA ASP A 50 0.171 11.379 9.240 1.00 0.00 C ATOM 687 C ASP A 50 0.438 12.291 8.041 1.00 0.00 C ATOM 688 O ASP A 50 -0.138 12.099 6.971 1.00 0.00 O ATOM 689 CB ASP A 50 0.043 12.260 10.485 1.00 0.00 C ATOM 690 CG ASP A 50 -1.007 11.800 11.497 1.00 0.00 C ATOM 691 OD1 ASP A 50 -2.202 11.835 11.131 1.00 0.00 O ATOM 692 OD2 ASP A 50 -0.592 11.422 12.614 1.00 0.00 O ATOM 0 H ASP A 50 1.616 10.321 10.330 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.749 10.811 9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.012 12.302 10.983 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.198 13.275 10.170 1.00 0.00 H new ATOM 697 N SER A 51 1.310 13.263 8.260 1.00 0.00 N ATOM 698 CA SER A 51 1.660 14.205 7.211 1.00 0.00 C ATOM 699 C SER A 51 2.093 13.450 5.952 1.00 0.00 C ATOM 700 O SER A 51 2.040 13.992 4.850 1.00 0.00 O ATOM 701 CB SER A 51 2.770 15.153 7.669 1.00 0.00 C ATOM 702 OG SER A 51 2.352 16.516 7.646 1.00 0.00 O ATOM 0 H SER A 51 1.785 13.419 9.149 1.00 0.00 H new ATOM 0 HA SER A 51 0.779 14.804 6.983 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.081 14.886 8.679 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.641 15.030 7.025 1.00 0.00 H new ATOM 0 HG SER A 51 3.088 17.089 7.947 1.00 0.00 H new ATOM 708 N GLY A 52 2.512 12.210 6.160 1.00 0.00 N ATOM 709 CA GLY A 52 2.954 11.375 5.056 1.00 0.00 C ATOM 710 C GLY A 52 1.987 11.472 3.874 1.00 0.00 C ATOM 711 O GLY A 52 0.797 11.724 4.059 1.00 0.00 O ATOM 0 H GLY A 52 2.555 11.764 7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.951 11.681 4.741 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.028 10.339 5.386 1.00 0.00 H new ATOM 715 N PRO A 53 2.549 11.262 2.653 1.00 0.00 N ATOM 716 CA PRO A 53 1.750 11.324 1.441 1.00 0.00 C ATOM 717 C PRO A 53 0.880 10.074 1.294 1.00 0.00 C ATOM 718 O PRO A 53 0.101 9.962 0.348 1.00 0.00 O ATOM 719 CB PRO A 53 2.757 11.482 0.314 1.00 0.00 C ATOM 720 CG PRO A 53 4.094 11.039 0.884 1.00 0.00 C ATOM 721 CD PRO A 53 3.954 10.962 2.396 1.00 0.00 C ATOM 0 HA PRO A 53 1.043 12.154 1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.479 10.874 -0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.802 12.516 -0.028 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.380 10.069 0.477 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.879 11.744 0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.223 9.974 2.769 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.609 11.679 2.891 1.00 0.00 H new ATOM 729 N ALA A 54 1.041 9.164 2.244 1.00 0.00 N ATOM 730 CA ALA A 54 0.280 7.926 2.232 1.00 0.00 C ATOM 731 C ALA A 54 -1.026 8.128 3.003 1.00 0.00 C ATOM 732 O ALA A 54 -2.052 7.546 2.655 1.00 0.00 O ATOM 733 CB ALA A 54 1.133 6.797 2.815 1.00 0.00 C ATOM 0 H ALA A 54 1.687 9.259 3.027 1.00 0.00 H new ATOM 0 HA ALA A 54 0.020 7.645 1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.563 5.868 2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.034 6.675 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.410 7.043 3.840 1.00 0.00 H new ATOM 739 N ALA A 55 -0.945 8.955 4.034 1.00 0.00 N ATOM 740 CA ALA A 55 -2.109 9.241 4.857 1.00 0.00 C ATOM 741 C ALA A 55 -2.825 10.477 4.308 1.00 0.00 C ATOM 742 O ALA A 55 -4.053 10.536 4.304 1.00 0.00 O ATOM 743 CB ALA A 55 -1.673 9.419 6.313 1.00 0.00 C ATOM 0 H ALA A 55 -0.092 9.436 4.319 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.814 8.410 4.827 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.545 9.633 6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.196 8.504 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.967 10.246 6.383 1.00 0.00 H new ATOM 749 N LYS A 56 -2.026 11.433 3.857 1.00 0.00 N ATOM 750 CA LYS A 56 -2.569 12.663 3.306 1.00 0.00 C ATOM 751 C LYS A 56 -3.562 12.325 2.193 1.00 0.00 C ATOM 752 O LYS A 56 -4.769 12.280 2.426 1.00 0.00 O ATOM 753 CB LYS A 56 -1.439 13.594 2.860 1.00 0.00 C ATOM 754 CG LYS A 56 -1.346 14.819 3.773 1.00 0.00 C ATOM 755 CD LYS A 56 -1.965 16.049 3.105 1.00 0.00 C ATOM 756 CE LYS A 56 -2.729 16.899 4.123 1.00 0.00 C ATOM 757 NZ LYS A 56 -3.365 18.057 3.457 1.00 0.00 N ATOM 0 H LYS A 56 -1.007 11.381 3.862 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.121 13.211 4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.492 13.054 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.611 13.914 1.832 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.858 14.616 4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.302 15.019 4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.182 16.648 2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.640 15.734 2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.489 16.292 4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.048 17.247 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.879 18.623 4.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.633 18.644 3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.030 17.719 2.733 1.00 0.00 H new ATOM 771 N GLU A 57 -3.017 12.095 1.007 1.00 0.00 N ATOM 772 CA GLU A 57 -3.841 11.762 -0.143 1.00 0.00 C ATOM 773 C GLU A 57 -3.790 10.257 -0.413 1.00 0.00 C ATOM 774 O GLU A 57 -4.734 9.689 -0.960 1.00 0.00 O ATOM 775 CB GLU A 57 -3.407 12.556 -1.376 1.00 0.00 C ATOM 776 CG GLU A 57 -3.935 13.991 -1.318 1.00 0.00 C ATOM 777 CD GLU A 57 -5.420 14.044 -1.680 1.00 0.00 C ATOM 778 OE1 GLU A 57 -5.807 13.294 -2.601 1.00 0.00 O ATOM 779 OE2 GLU A 57 -6.136 14.833 -1.026 1.00 0.00 O ATOM 0 H GLU A 57 -2.015 12.133 0.818 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.872 12.037 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.319 12.567 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.775 12.065 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.786 14.397 -0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.367 14.619 -2.004 1.00 0.00 H new ATOM 786 N GLY A 58 -2.678 9.654 -0.019 1.00 0.00 N ATOM 787 CA GLY A 58 -2.492 8.226 -0.212 1.00 0.00 C ATOM 788 C GLY A 58 -3.823 7.479 -0.097 1.00 0.00 C ATOM 789 O GLY A 58 -4.260 6.833 -1.048 1.00 0.00 O ATOM 0 H GLY A 58 -1.896 10.129 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.051 8.042 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.791 7.843 0.530 1.00 0.00 H new ATOM 793 N GLY A 59 -4.429 7.592 1.075 1.00 0.00 N ATOM 794 CA GLY A 59 -5.701 6.936 1.327 1.00 0.00 C ATOM 795 C GLY A 59 -5.495 5.596 2.035 1.00 0.00 C ATOM 796 O GLY A 59 -6.450 4.851 2.252 1.00 0.00 O ATOM 0 H GLY A 59 -4.063 8.128 1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.332 7.581 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.225 6.777 0.385 1.00 0.00 H new ATOM 800 N LEU A 60 -4.243 5.329 2.377 1.00 0.00 N ATOM 801 CA LEU A 60 -3.900 4.092 3.057 1.00 0.00 C ATOM 802 C LEU A 60 -4.461 4.124 4.480 1.00 0.00 C ATOM 803 O LEU A 60 -4.905 5.170 4.952 1.00 0.00 O ATOM 804 CB LEU A 60 -2.391 3.848 2.996 1.00 0.00 C ATOM 805 CG LEU A 60 -1.943 2.388 3.094 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.739 1.505 2.131 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.434 2.261 2.873 1.00 0.00 C ATOM 0 H LEU A 60 -3.453 5.949 2.196 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.358 3.241 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.014 4.261 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.920 4.407 3.804 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.151 2.034 4.104 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.401 0.473 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.799 1.562 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.584 1.850 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.142 1.213 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.178 2.639 1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.095 2.840 3.630 1.00 0.00 H new ATOM 819 N GLN A 61 -4.422 2.967 5.124 1.00 0.00 N ATOM 820 CA GLN A 61 -4.921 2.850 6.483 1.00 0.00 C ATOM 821 C GLN A 61 -4.278 1.651 7.183 1.00 0.00 C ATOM 822 O GLN A 61 -4.368 0.524 6.699 1.00 0.00 O ATOM 823 CB GLN A 61 -6.447 2.741 6.500 1.00 0.00 C ATOM 824 CG GLN A 61 -7.087 4.068 6.913 1.00 0.00 C ATOM 825 CD GLN A 61 -8.553 4.128 6.477 1.00 0.00 C ATOM 826 OE1 GLN A 61 -9.457 4.317 7.275 1.00 0.00 O ATOM 827 NE2 GLN A 61 -8.737 3.958 5.171 1.00 0.00 N ATOM 0 H GLN A 61 -4.052 2.102 4.729 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.648 3.754 7.028 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.806 2.452 5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.751 1.956 7.192 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.020 4.187 7.994 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.537 4.896 6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.936 3.804 4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.679 3.982 4.781 1.00 0.00 H new ATOM 836 N ILE A 62 -3.644 1.935 8.311 1.00 0.00 N ATOM 837 CA ILE A 62 -2.986 0.894 9.083 1.00 0.00 C ATOM 838 C ILE A 62 -3.833 -0.379 9.040 1.00 0.00 C ATOM 839 O ILE A 62 -5.055 -0.312 8.909 1.00 0.00 O ATOM 840 CB ILE A 62 -2.686 1.386 10.500 1.00 0.00 C ATOM 841 CG1 ILE A 62 -1.822 2.648 10.471 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.054 0.277 11.343 1.00 0.00 C ATOM 843 CD1 ILE A 62 -0.939 2.736 11.717 1.00 0.00 C ATOM 0 H ILE A 62 -3.572 2.871 8.709 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.019 0.649 8.645 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.630 1.653 10.976 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.197 2.645 9.578 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.461 3.529 10.410 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.851 0.653 12.346 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.739 -0.569 11.405 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.121 -0.045 10.880 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.335 3.642 11.672 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.567 2.763 12.607 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.285 1.865 11.761 1.00 0.00 H new ATOM 855 N HIS A 63 -3.152 -1.510 9.153 1.00 0.00 N ATOM 856 CA HIS A 63 -3.827 -2.796 9.129 1.00 0.00 C ATOM 857 C HIS A 63 -4.441 -3.028 7.746 1.00 0.00 C ATOM 858 O HIS A 63 -5.614 -3.381 7.635 1.00 0.00 O ATOM 859 CB HIS A 63 -4.855 -2.891 10.258 1.00 0.00 C ATOM 860 CG HIS A 63 -4.361 -2.366 11.584 1.00 0.00 C ATOM 861 ND1 HIS A 63 -3.262 -2.895 12.238 1.00 0.00 N ATOM 862 CD2 HIS A 63 -4.826 -1.353 12.371 1.00 0.00 C ATOM 863 CE1 HIS A 63 -3.084 -2.224 13.367 1.00 0.00 C ATOM 864 NE2 HIS A 63 -4.055 -1.270 13.447 1.00 0.00 N ATOM 0 H HIS A 63 -2.139 -1.562 9.261 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.105 -3.593 9.306 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.748 -2.337 9.970 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.151 -3.933 10.379 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.678 -0.725 12.154 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.307 -2.402 14.095 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.170 -0.602 14.209 1.00 0.00 H new ATOM 872 N ASP A 64 -3.620 -2.819 6.727 1.00 0.00 N ATOM 873 CA ASP A 64 -4.067 -3.001 5.357 1.00 0.00 C ATOM 874 C ASP A 64 -3.313 -4.175 4.730 1.00 0.00 C ATOM 875 O ASP A 64 -2.370 -4.698 5.321 1.00 0.00 O ATOM 876 CB ASP A 64 -3.786 -1.754 4.516 1.00 0.00 C ATOM 877 CG ASP A 64 -2.430 -1.745 3.807 1.00 0.00 C ATOM 878 OD1 ASP A 64 -1.517 -2.429 4.319 1.00 0.00 O ATOM 879 OD2 ASP A 64 -2.337 -1.055 2.769 1.00 0.00 O ATOM 0 H ASP A 64 -2.648 -2.525 6.823 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.140 -3.189 5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.572 -1.655 3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.848 -0.877 5.161 1.00 0.00 H new ATOM 884 N ARG A 65 -3.756 -4.554 3.540 1.00 0.00 N ATOM 885 CA ARG A 65 -3.135 -5.657 2.827 1.00 0.00 C ATOM 886 C ARG A 65 -2.923 -5.286 1.358 1.00 0.00 C ATOM 887 O ARG A 65 -3.755 -5.599 0.508 1.00 0.00 O ATOM 888 CB ARG A 65 -3.994 -6.920 2.908 1.00 0.00 C ATOM 889 CG ARG A 65 -3.177 -8.163 2.550 1.00 0.00 C ATOM 890 CD ARG A 65 -4.068 -9.405 2.486 1.00 0.00 C ATOM 891 NE ARG A 65 -3.584 -10.322 1.430 1.00 0.00 N ATOM 892 CZ ARG A 65 -4.253 -11.404 1.010 1.00 0.00 C ATOM 893 NH1 ARG A 65 -5.439 -11.711 1.553 1.00 0.00 N ATOM 894 NH2 ARG A 65 -3.736 -12.179 0.047 1.00 0.00 N ATOM 0 H ARG A 65 -4.538 -4.117 3.052 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.173 -5.856 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.399 -7.024 3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.843 -6.831 2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.684 -8.014 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.392 -8.312 3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.066 -9.914 3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.098 -9.113 2.282 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.685 -10.117 0.995 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.832 -11.121 2.286 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.948 -12.535 1.233 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.833 -11.945 -0.366 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.245 -13.003 -0.273 1.00 0.00 H new ATOM 908 N ILE A 66 -1.803 -4.624 1.103 1.00 0.00 N ATOM 909 CA ILE A 66 -1.471 -4.207 -0.249 1.00 0.00 C ATOM 910 C ILE A 66 -1.602 -5.403 -1.193 1.00 0.00 C ATOM 911 O ILE A 66 -1.143 -6.500 -0.879 1.00 0.00 O ATOM 912 CB ILE A 66 -0.092 -3.545 -0.282 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.075 -2.568 0.884 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.161 -2.874 -1.633 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.067 -1.458 0.531 1.00 0.00 C ATOM 0 H ILE A 66 -1.114 -4.366 1.810 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.172 -3.448 -0.597 1.00 0.00 H new ATOM 0 HB ILE A 66 0.663 -4.322 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.891 -2.131 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.423 -3.105 1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.148 -2.411 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.113 -3.621 -2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.597 -2.111 -1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.167 -0.777 1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.038 -1.897 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.703 -0.908 -0.337 1.00 0.00 H new ATOM 927 N ILE A 67 -2.231 -5.152 -2.332 1.00 0.00 N ATOM 928 CA ILE A 67 -2.428 -6.194 -3.325 1.00 0.00 C ATOM 929 C ILE A 67 -1.518 -5.927 -4.526 1.00 0.00 C ATOM 930 O ILE A 67 -0.902 -6.849 -5.059 1.00 0.00 O ATOM 931 CB ILE A 67 -3.909 -6.314 -3.689 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.797 -5.854 -2.532 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.248 -7.736 -4.143 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.845 -6.909 -1.424 1.00 0.00 C ATOM 0 H ILE A 67 -2.611 -4.241 -2.589 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.144 -7.165 -2.920 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.109 -5.651 -4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.418 -4.915 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.805 -5.660 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.307 -7.795 -4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.651 -7.990 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.028 -8.437 -3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.483 -6.557 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.248 -7.839 -1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.838 -7.083 -1.044 1.00 0.00 H new ATOM 946 N GLU A 68 -1.464 -4.662 -4.916 1.00 0.00 N ATOM 947 CA GLU A 68 -0.640 -4.263 -6.045 1.00 0.00 C ATOM 948 C GLU A 68 -0.113 -2.841 -5.840 1.00 0.00 C ATOM 949 O GLU A 68 -0.758 -2.025 -5.183 1.00 0.00 O ATOM 950 CB GLU A 68 -1.417 -4.376 -7.358 1.00 0.00 C ATOM 951 CG GLU A 68 -0.647 -5.216 -8.379 1.00 0.00 C ATOM 952 CD GLU A 68 -1.428 -6.479 -8.751 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.373 -7.436 -7.949 1.00 0.00 O ATOM 954 OE2 GLU A 68 -2.062 -6.458 -9.828 1.00 0.00 O ATOM 0 H GLU A 68 -1.977 -3.901 -4.471 1.00 0.00 H new ATOM 0 HA GLU A 68 0.212 -4.940 -6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.391 -4.828 -7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.600 -3.381 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.459 -4.624 -9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.325 -5.492 -7.969 1.00 0.00 H new ATOM 961 N VAL A 69 1.053 -2.587 -6.416 1.00 0.00 N ATOM 962 CA VAL A 69 1.673 -1.278 -6.305 1.00 0.00 C ATOM 963 C VAL A 69 2.299 -0.900 -7.648 1.00 0.00 C ATOM 964 O VAL A 69 3.217 -1.569 -8.120 1.00 0.00 O ATOM 965 CB VAL A 69 2.681 -1.272 -5.153 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.094 -1.570 -5.659 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.638 0.055 -4.394 1.00 0.00 C ATOM 0 H VAL A 69 1.585 -3.266 -6.961 1.00 0.00 H new ATOM 0 HA VAL A 69 0.926 -0.520 -6.069 1.00 0.00 H new ATOM 0 HB VAL A 69 2.401 -2.064 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.790 -1.560 -4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.111 -2.551 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.388 -0.811 -6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.364 0.033 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.880 0.871 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.639 0.208 -3.985 1.00 0.00 H new ATOM 977 N ASN A 70 1.778 0.173 -8.226 1.00 0.00 N ATOM 978 CA ASN A 70 2.274 0.648 -9.507 1.00 0.00 C ATOM 979 C ASN A 70 2.124 -0.460 -10.551 1.00 0.00 C ATOM 980 O ASN A 70 2.739 -0.404 -11.614 1.00 0.00 O ATOM 981 CB ASN A 70 3.757 1.018 -9.420 1.00 0.00 C ATOM 982 CG ASN A 70 4.104 2.128 -10.414 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.379 3.298 -9.844 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.122 1.935 -11.618 1.00 0.00 N flip ATOM 0 H ASN A 70 1.018 0.727 -7.831 1.00 0.00 H new ATOM 0 HA ASN A 70 1.697 1.530 -9.786 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.995 1.344 -8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.368 0.138 -9.624 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.900 1.011 -11.990 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.359 2.697 -12.253 1.00 0.00 H new ATOM 991 N GLY A 71 1.302 -1.442 -10.211 1.00 0.00 N ATOM 992 CA GLY A 71 1.062 -2.561 -11.106 1.00 0.00 C ATOM 993 C GLY A 71 1.867 -3.789 -10.674 1.00 0.00 C ATOM 994 O GLY A 71 1.777 -4.845 -11.299 1.00 0.00 O ATOM 0 H GLY A 71 0.794 -1.486 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.001 -2.803 -11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.334 -2.282 -12.124 1.00 0.00 H new ATOM 998 N ARG A 72 2.634 -3.610 -9.609 1.00 0.00 N ATOM 999 CA ARG A 72 3.453 -4.691 -9.087 1.00 0.00 C ATOM 1000 C ARG A 72 2.704 -5.439 -7.983 1.00 0.00 C ATOM 1001 O ARG A 72 2.220 -4.828 -7.032 1.00 0.00 O ATOM 1002 CB ARG A 72 4.774 -4.159 -8.528 1.00 0.00 C ATOM 1003 CG ARG A 72 5.968 -4.798 -9.241 1.00 0.00 C ATOM 1004 CD ARG A 72 7.031 -5.246 -8.236 1.00 0.00 C ATOM 1005 NE ARG A 72 8.142 -5.922 -8.942 1.00 0.00 N ATOM 1006 CZ ARG A 72 9.145 -6.563 -8.326 1.00 0.00 C ATOM 1007 NH1 ARG A 72 9.181 -6.620 -6.988 1.00 0.00 N ATOM 1008 NH2 ARG A 72 10.110 -7.148 -9.048 1.00 0.00 N ATOM 0 H ARG A 72 2.706 -2.733 -9.093 1.00 0.00 H new ATOM 0 HA ARG A 72 3.668 -5.372 -9.910 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.813 -3.076 -8.645 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.831 -4.366 -7.459 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.631 -5.654 -9.826 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.402 -4.085 -9.941 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.409 -4.384 -7.686 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.589 -5.922 -7.504 1.00 0.00 H new ATOM 0 HE ARG A 72 8.145 -5.899 -9.962 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.445 -6.176 -6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.944 -7.108 -6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.082 -7.106 -10.067 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.873 -7.636 -8.579 1.00 0.00 H new ATOM 1022 N ASP A 73 2.632 -6.752 -8.146 1.00 0.00 N ATOM 1023 CA ASP A 73 1.950 -7.591 -7.175 1.00 0.00 C ATOM 1024 C ASP A 73 2.897 -7.889 -6.011 1.00 0.00 C ATOM 1025 O ASP A 73 4.011 -8.368 -6.219 1.00 0.00 O ATOM 1026 CB ASP A 73 1.530 -8.924 -7.797 1.00 0.00 C ATOM 1027 CG ASP A 73 0.479 -9.705 -7.005 1.00 0.00 C ATOM 1028 OD1 ASP A 73 -0.223 -9.055 -6.200 1.00 0.00 O ATOM 1029 OD2 ASP A 73 0.401 -10.933 -7.223 1.00 0.00 O ATOM 0 H ASP A 73 3.035 -7.256 -8.936 1.00 0.00 H new ATOM 0 HA ASP A 73 1.063 -7.058 -6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.142 -8.734 -8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.415 -9.549 -7.912 1.00 0.00 H new ATOM 1034 N LEU A 74 2.419 -7.594 -4.811 1.00 0.00 N ATOM 1035 CA LEU A 74 3.209 -7.825 -3.614 1.00 0.00 C ATOM 1036 C LEU A 74 2.423 -8.720 -2.653 1.00 0.00 C ATOM 1037 O LEU A 74 2.891 -9.022 -1.557 1.00 0.00 O ATOM 1038 CB LEU A 74 3.647 -6.495 -2.996 1.00 0.00 C ATOM 1039 CG LEU A 74 4.103 -5.416 -3.981 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.268 -4.068 -3.278 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.379 -5.843 -4.709 1.00 0.00 C ATOM 0 H LEU A 74 1.495 -7.197 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 74 4.129 -8.354 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.817 -6.098 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.462 -6.692 -2.300 1.00 0.00 H new ATOM 0 HG LEU A 74 3.327 -5.292 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.593 -3.319 -4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.315 -3.765 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.014 -4.158 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.682 -5.059 -5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.174 -6.011 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.192 -6.764 -5.261 1.00 0.00 H new ATOM 1053 N SER A 75 1.241 -9.118 -3.100 1.00 0.00 N ATOM 1054 CA SER A 75 0.385 -9.972 -2.294 1.00 0.00 C ATOM 1055 C SER A 75 1.178 -11.177 -1.785 1.00 0.00 C ATOM 1056 O SER A 75 0.993 -11.611 -0.649 1.00 0.00 O ATOM 1057 CB SER A 75 -0.835 -10.438 -3.091 1.00 0.00 C ATOM 1058 OG SER A 75 -1.435 -11.598 -2.520 1.00 0.00 O ATOM 0 H SER A 75 0.856 -8.865 -4.010 1.00 0.00 H new ATOM 0 HA SER A 75 0.029 -9.393 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.569 -9.634 -3.133 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.537 -10.652 -4.118 1.00 0.00 H new ATOM 0 HG SER A 75 -2.211 -11.863 -3.057 1.00 0.00 H new ATOM 1064 N ARG A 76 2.045 -11.682 -2.650 1.00 0.00 N ATOM 1065 CA ARG A 76 2.868 -12.828 -2.301 1.00 0.00 C ATOM 1066 C ARG A 76 4.339 -12.418 -2.210 1.00 0.00 C ATOM 1067 O ARG A 76 5.230 -13.258 -2.325 1.00 0.00 O ATOM 1068 CB ARG A 76 2.720 -13.946 -3.336 1.00 0.00 C ATOM 1069 CG ARG A 76 3.200 -13.485 -4.713 1.00 0.00 C ATOM 1070 CD ARG A 76 3.137 -14.630 -5.727 1.00 0.00 C ATOM 1071 NE ARG A 76 4.505 -15.079 -6.070 1.00 0.00 N ATOM 1072 CZ ARG A 76 4.812 -15.779 -7.170 1.00 0.00 C ATOM 1073 NH1 ARG A 76 3.850 -16.115 -8.041 1.00 0.00 N ATOM 1074 NH2 ARG A 76 6.080 -16.144 -7.400 1.00 0.00 N ATOM 0 H ARG A 76 2.196 -11.319 -3.591 1.00 0.00 H new ATOM 0 HA ARG A 76 2.530 -13.197 -1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.294 -14.817 -3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.677 -14.256 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.584 -12.655 -5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.222 -13.114 -4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.566 -15.461 -5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.617 -14.302 -6.627 1.00 0.00 H new ATOM 0 HE ARG A 76 5.261 -14.840 -5.429 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.884 -15.838 -7.866 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.084 -16.648 -8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.812 -15.889 -6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.313 -16.677 -8.238 1.00 0.00 H new ATOM 1088 N ALA A 77 4.548 -11.126 -2.004 1.00 0.00 N ATOM 1089 CA ALA A 77 5.896 -10.594 -1.896 1.00 0.00 C ATOM 1090 C ALA A 77 6.258 -10.429 -0.419 1.00 0.00 C ATOM 1091 O ALA A 77 5.439 -10.700 0.458 1.00 0.00 O ATOM 1092 CB ALA A 77 5.989 -9.277 -2.669 1.00 0.00 C ATOM 0 H ALA A 77 3.807 -10.432 -1.909 1.00 0.00 H new ATOM 0 HA ALA A 77 6.616 -11.283 -2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.000 -8.878 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.752 -9.453 -3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.282 -8.560 -2.252 1.00 0.00 H new ATOM 1098 N THR A 78 7.485 -9.987 -0.189 1.00 0.00 N ATOM 1099 CA THR A 78 7.965 -9.784 1.167 1.00 0.00 C ATOM 1100 C THR A 78 8.270 -8.304 1.409 1.00 0.00 C ATOM 1101 O THR A 78 8.055 -7.471 0.530 1.00 0.00 O ATOM 1102 CB THR A 78 9.175 -10.696 1.383 1.00 0.00 C ATOM 1103 OG1 THR A 78 10.266 -9.960 0.837 1.00 0.00 O ATOM 1104 CG2 THR A 78 9.114 -11.961 0.525 1.00 0.00 C ATOM 0 H THR A 78 8.162 -9.764 -0.919 1.00 0.00 H new ATOM 0 HA THR A 78 7.203 -10.051 1.899 1.00 0.00 H new ATOM 0 HB THR A 78 9.238 -10.973 2.435 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.092 -10.478 0.936 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.995 -12.573 0.716 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.217 -12.528 0.776 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.086 -11.685 -0.529 1.00 0.00 H new ATOM 1112 N HIS A 79 8.765 -8.022 2.605 1.00 0.00 N ATOM 1113 CA HIS A 79 9.101 -6.657 2.973 1.00 0.00 C ATOM 1114 C HIS A 79 10.243 -6.153 2.089 1.00 0.00 C ATOM 1115 O HIS A 79 10.299 -4.971 1.754 1.00 0.00 O ATOM 1116 CB HIS A 79 9.420 -6.560 4.467 1.00 0.00 C ATOM 1117 CG HIS A 79 9.401 -5.151 5.008 1.00 0.00 C ATOM 1118 ND1 HIS A 79 8.363 -4.369 5.422 1.00 0.00 N flip ATOM 1119 CD2 HIS A 79 10.548 -4.394 5.170 1.00 0.00 C flip ATOM 1120 CE1 HIS A 79 8.850 -3.199 5.817 1.00 0.00 C flip ATOM 1121 NE2 HIS A 79 10.205 -3.212 5.661 1.00 0.00 N flip ATOM 0 H HIS A 79 8.942 -8.715 3.332 1.00 0.00 H new ATOM 0 HA HIS A 79 8.242 -6.008 2.801 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.700 -7.161 5.022 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.403 -6.994 4.647 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.553 -4.713 4.936 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.269 -2.373 6.199 1.00 0.00 H new ATOM 0 HE2 HIS A 79 10.842 -2.447 5.883 1.00 0.00 H new ATOM 1129 N ASP A 80 11.126 -7.076 1.736 1.00 0.00 N ATOM 1130 CA ASP A 80 12.264 -6.740 0.897 1.00 0.00 C ATOM 1131 C ASP A 80 11.767 -6.344 -0.495 1.00 0.00 C ATOM 1132 O ASP A 80 12.144 -5.296 -1.017 1.00 0.00 O ATOM 1133 CB ASP A 80 13.205 -7.937 0.741 1.00 0.00 C ATOM 1134 CG ASP A 80 14.592 -7.754 1.360 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.884 -6.611 1.772 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.329 -8.762 1.408 1.00 0.00 O ATOM 0 H ASP A 80 11.076 -8.056 2.016 1.00 0.00 H new ATOM 0 HA ASP A 80 12.801 -5.918 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.735 -8.811 1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.323 -8.151 -0.321 1.00 0.00 H new ATOM 1141 N GLN A 81 10.929 -7.204 -1.055 1.00 0.00 N ATOM 1142 CA GLN A 81 10.377 -6.957 -2.376 1.00 0.00 C ATOM 1143 C GLN A 81 9.386 -5.792 -2.328 1.00 0.00 C ATOM 1144 O GLN A 81 9.427 -4.902 -3.176 1.00 0.00 O ATOM 1145 CB GLN A 81 9.715 -8.217 -2.938 1.00 0.00 C ATOM 1146 CG GLN A 81 10.761 -9.284 -3.269 1.00 0.00 C ATOM 1147 CD GLN A 81 10.520 -9.875 -4.659 1.00 0.00 C ATOM 1148 OE1 GLN A 81 10.540 -9.187 -5.667 1.00 0.00 O ATOM 1149 NE2 GLN A 81 10.292 -11.186 -4.658 1.00 0.00 N ATOM 0 H GLN A 81 10.619 -8.072 -0.618 1.00 0.00 H new ATOM 0 HA GLN A 81 11.194 -6.686 -3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.003 -8.613 -2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.150 -7.966 -3.835 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.759 -8.847 -3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.726 -10.077 -2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.289 -11.702 -3.778 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.120 -11.674 -5.537 1.00 0.00 H new ATOM 1158 N ALA A 82 8.518 -5.837 -1.328 1.00 0.00 N ATOM 1159 CA ALA A 82 7.518 -4.796 -1.158 1.00 0.00 C ATOM 1160 C ALA A 82 8.212 -3.433 -1.098 1.00 0.00 C ATOM 1161 O ALA A 82 7.853 -2.518 -1.838 1.00 0.00 O ATOM 1162 CB ALA A 82 6.690 -5.084 0.096 1.00 0.00 C ATOM 0 H ALA A 82 8.486 -6.578 -0.627 1.00 0.00 H new ATOM 0 HA ALA A 82 6.832 -4.780 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.940 -4.304 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.195 -6.049 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.344 -5.104 0.967 1.00 0.00 H new ATOM 1168 N VAL A 83 9.191 -3.342 -0.211 1.00 0.00 N ATOM 1169 CA VAL A 83 9.938 -2.106 -0.046 1.00 0.00 C ATOM 1170 C VAL A 83 10.532 -1.690 -1.393 1.00 0.00 C ATOM 1171 O VAL A 83 10.304 -0.574 -1.858 1.00 0.00 O ATOM 1172 CB VAL A 83 10.996 -2.277 1.047 1.00 0.00 C ATOM 1173 CG1 VAL A 83 11.978 -1.104 1.046 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.343 -2.444 2.420 1.00 0.00 C ATOM 0 H VAL A 83 9.485 -4.103 0.401 1.00 0.00 H new ATOM 0 HA VAL A 83 9.279 -1.302 0.280 1.00 0.00 H new ATOM 0 HB VAL A 83 11.558 -3.185 0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.719 -1.250 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.479 -1.050 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.436 -0.176 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.116 -2.564 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.744 -1.562 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.702 -3.326 2.413 1.00 0.00 H new ATOM 1184 N GLU A 84 11.283 -2.609 -1.982 1.00 0.00 N ATOM 1185 CA GLU A 84 11.912 -2.351 -3.266 1.00 0.00 C ATOM 1186 C GLU A 84 10.874 -1.855 -4.275 1.00 0.00 C ATOM 1187 O GLU A 84 11.151 -0.953 -5.064 1.00 0.00 O ATOM 1188 CB GLU A 84 12.629 -3.599 -3.786 1.00 0.00 C ATOM 1189 CG GLU A 84 13.352 -3.307 -5.103 1.00 0.00 C ATOM 1190 CD GLU A 84 14.660 -4.095 -5.196 1.00 0.00 C ATOM 1191 OE1 GLU A 84 14.580 -5.289 -5.557 1.00 0.00 O ATOM 1192 OE2 GLU A 84 15.712 -3.485 -4.904 1.00 0.00 O ATOM 0 H GLU A 84 11.470 -3.533 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 84 12.661 -1.571 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.346 -3.947 -3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.907 -4.403 -3.933 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.706 -3.567 -5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.560 -2.240 -5.179 1.00 0.00 H new ATOM 1199 N ALA A 85 9.700 -2.466 -4.217 1.00 0.00 N ATOM 1200 CA ALA A 85 8.619 -2.098 -5.115 1.00 0.00 C ATOM 1201 C ALA A 85 8.323 -0.605 -4.965 1.00 0.00 C ATOM 1202 O ALA A 85 8.332 0.136 -5.947 1.00 0.00 O ATOM 1203 CB ALA A 85 7.394 -2.968 -4.824 1.00 0.00 C ATOM 0 H ALA A 85 9.474 -3.214 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 85 8.905 -2.275 -6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.583 -2.692 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.649 -4.017 -4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.076 -2.816 -3.792 1.00 0.00 H new ATOM 1209 N PHE A 86 8.067 -0.207 -3.727 1.00 0.00 N ATOM 1210 CA PHE A 86 7.768 1.185 -3.435 1.00 0.00 C ATOM 1211 C PHE A 86 8.982 2.075 -3.709 1.00 0.00 C ATOM 1212 O PHE A 86 8.834 3.262 -3.996 1.00 0.00 O ATOM 1213 CB PHE A 86 7.417 1.265 -1.948 1.00 0.00 C ATOM 1214 CG PHE A 86 5.957 0.931 -1.635 1.00 0.00 C ATOM 1215 CD1 PHE A 86 4.992 1.874 -1.805 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.624 -0.309 -1.186 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.637 1.564 -1.515 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.269 -0.619 -0.896 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.304 0.324 -1.066 1.00 0.00 C ATOM 0 H PHE A 86 8.060 -0.824 -2.915 1.00 0.00 H new ATOM 0 HA PHE A 86 6.948 1.530 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.062 0.582 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.635 2.270 -1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.256 2.859 -2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.390 -1.058 -1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.871 2.313 -1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.005 -1.604 -0.540 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.274 0.088 -0.845 1.00 0.00 H new ATOM 1229 N LYS A 87 10.155 1.468 -3.611 1.00 0.00 N ATOM 1230 CA LYS A 87 11.394 2.190 -3.844 1.00 0.00 C ATOM 1231 C LYS A 87 11.582 2.400 -5.348 1.00 0.00 C ATOM 1232 O LYS A 87 11.874 3.509 -5.792 1.00 0.00 O ATOM 1233 CB LYS A 87 12.567 1.474 -3.171 1.00 0.00 C ATOM 1234 CG LYS A 87 13.904 1.978 -3.719 1.00 0.00 C ATOM 1235 CD LYS A 87 15.078 1.334 -2.979 1.00 0.00 C ATOM 1236 CE LYS A 87 15.333 2.034 -1.642 1.00 0.00 C ATOM 1237 NZ LYS A 87 16.748 1.877 -1.237 1.00 0.00 N ATOM 0 H LYS A 87 10.274 0.483 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 87 11.350 3.179 -3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.527 1.636 -2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.484 0.400 -3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.973 1.753 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.957 3.062 -3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.869 0.278 -2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.974 1.385 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.088 3.093 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.681 1.616 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.904 2.358 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.970 0.866 -1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.365 2.297 -1.961 1.00 0.00 H new ATOM 1251 N THR A 88 11.407 1.316 -6.090 1.00 0.00 N ATOM 1252 CA THR A 88 11.554 1.367 -7.535 1.00 0.00 C ATOM 1253 C THR A 88 10.259 1.859 -8.185 1.00 0.00 C ATOM 1254 O THR A 88 10.212 2.077 -9.395 1.00 0.00 O ATOM 1255 CB THR A 88 11.986 -0.020 -8.015 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.968 -0.889 -7.526 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.259 -0.510 -7.322 1.00 0.00 C ATOM 0 H THR A 88 11.165 0.398 -5.718 1.00 0.00 H new ATOM 0 HA THR A 88 12.321 2.083 -7.830 1.00 0.00 H new ATOM 0 HB THR A 88 12.146 0.003 -9.093 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.251 -1.276 -6.671 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.521 -1.498 -7.699 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.074 0.184 -7.526 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.090 -0.565 -6.247 1.00 0.00 H new ATOM 1265 N ALA A 89 9.241 2.021 -7.353 1.00 0.00 N ATOM 1266 CA ALA A 89 7.949 2.484 -7.832 1.00 0.00 C ATOM 1267 C ALA A 89 8.053 3.961 -8.217 1.00 0.00 C ATOM 1268 O ALA A 89 8.763 4.727 -7.568 1.00 0.00 O ATOM 1269 CB ALA A 89 6.887 2.233 -6.760 1.00 0.00 C ATOM 0 H ALA A 89 9.284 1.840 -6.350 1.00 0.00 H new ATOM 0 HA ALA A 89 7.649 1.932 -8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.918 2.580 -7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.833 1.166 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.152 2.774 -5.852 1.00 0.00 H new ATOM 1275 N LYS A 90 7.334 4.316 -9.272 1.00 0.00 N ATOM 1276 CA LYS A 90 7.335 5.688 -9.751 1.00 0.00 C ATOM 1277 C LYS A 90 5.979 6.330 -9.451 1.00 0.00 C ATOM 1278 O LYS A 90 4.971 5.634 -9.334 1.00 0.00 O ATOM 1279 CB LYS A 90 7.727 5.739 -11.229 1.00 0.00 C ATOM 1280 CG LYS A 90 9.242 5.879 -11.391 1.00 0.00 C ATOM 1281 CD LYS A 90 9.707 7.283 -11.000 1.00 0.00 C ATOM 1282 CE LYS A 90 11.208 7.451 -11.241 1.00 0.00 C ATOM 1283 NZ LYS A 90 11.980 6.918 -10.096 1.00 0.00 N ATOM 0 H LYS A 90 6.747 3.677 -9.808 1.00 0.00 H new ATOM 0 HA LYS A 90 8.088 6.275 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.386 4.833 -11.730 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.227 6.578 -11.713 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.748 5.139 -10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.521 5.674 -12.424 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.157 8.026 -11.578 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.481 7.465 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.496 6.931 -12.155 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.443 8.505 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.919 6.613 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.088 7.659 -9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.476 6.106 -9.685 1.00 0.00 H new ATOM 1297 N GLU A 91 5.998 7.650 -9.336 1.00 0.00 N ATOM 1298 CA GLU A 91 4.782 8.393 -9.053 1.00 0.00 C ATOM 1299 C GLU A 91 4.105 8.822 -10.357 1.00 0.00 C ATOM 1300 O GLU A 91 4.780 9.167 -11.326 1.00 0.00 O ATOM 1301 CB GLU A 91 5.074 9.603 -8.163 1.00 0.00 C ATOM 1302 CG GLU A 91 5.971 9.215 -6.986 1.00 0.00 C ATOM 1303 CD GLU A 91 7.118 10.213 -6.819 1.00 0.00 C ATOM 1304 OE1 GLU A 91 8.159 9.997 -7.476 1.00 0.00 O ATOM 1305 OE2 GLU A 91 6.929 11.169 -6.036 1.00 0.00 O ATOM 0 H GLU A 91 6.836 8.224 -9.434 1.00 0.00 H new ATOM 0 HA GLU A 91 4.099 7.740 -8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.557 10.383 -8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.138 10.019 -7.790 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.380 9.178 -6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.374 8.215 -7.146 1.00 0.00 H new ATOM 1312 N PRO A 92 2.746 8.784 -10.338 1.00 0.00 N ATOM 1313 CA PRO A 92 2.025 8.362 -9.150 1.00 0.00 C ATOM 1314 C PRO A 92 2.104 6.845 -8.970 1.00 0.00 C ATOM 1315 O PRO A 92 2.129 6.101 -9.949 1.00 0.00 O ATOM 1316 CB PRO A 92 0.604 8.863 -9.353 1.00 0.00 C ATOM 1317 CG PRO A 92 0.468 9.137 -10.842 1.00 0.00 C ATOM 1318 CD PRO A 92 1.863 9.141 -11.445 1.00 0.00 C ATOM 0 HA PRO A 92 2.450 8.771 -8.233 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.123 8.120 -9.025 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.421 9.767 -8.771 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.150 8.374 -11.315 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.023 10.095 -11.010 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.943 8.424 -12.262 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.115 10.120 -11.853 1.00 0.00 H new ATOM 1326 N ILE A 93 2.140 6.431 -7.711 1.00 0.00 N ATOM 1327 CA ILE A 93 2.215 5.016 -7.391 1.00 0.00 C ATOM 1328 C ILE A 93 0.813 4.495 -7.069 1.00 0.00 C ATOM 1329 O ILE A 93 0.224 4.872 -6.057 1.00 0.00 O ATOM 1330 CB ILE A 93 3.232 4.773 -6.274 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.596 5.364 -6.636 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.325 3.285 -5.931 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.396 5.711 -5.379 1.00 0.00 C ATOM 0 H ILE A 93 2.119 7.051 -6.901 1.00 0.00 H new ATOM 0 HA ILE A 93 2.577 4.450 -8.250 1.00 0.00 H new ATOM 0 HB ILE A 93 2.885 5.289 -5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.156 4.651 -7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.459 6.259 -7.242 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.055 3.140 -5.134 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.350 2.926 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.636 2.727 -6.814 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.361 6.129 -5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.845 6.442 -4.787 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.553 4.809 -4.787 1.00 0.00 H new ATOM 1345 N VAL A 94 0.319 3.637 -7.950 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.003 3.061 -7.773 1.00 0.00 C ATOM 1347 C VAL A 94 -0.905 1.848 -6.845 1.00 0.00 C ATOM 1348 O VAL A 94 -0.322 0.828 -7.209 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.614 2.724 -9.135 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -0.697 1.793 -9.931 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -3.008 2.115 -8.974 1.00 0.00 C ATOM 0 H VAL A 94 0.811 3.327 -8.788 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.673 3.779 -7.300 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.717 3.653 -9.696 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.154 1.569 -10.895 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.265 2.279 -10.090 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.548 0.867 -9.376 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.420 1.885 -9.956 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.940 1.200 -8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.659 2.826 -8.465 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.486 1.999 -5.663 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.472 0.929 -4.681 1.00 0.00 C ATOM 1363 C VAL A 95 -2.907 0.473 -4.409 1.00 0.00 C ATOM 1364 O VAL A 95 -3.838 1.275 -4.464 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.741 1.388 -3.417 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.084 0.249 -2.816 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.136 2.609 -3.704 1.00 0.00 C ATOM 0 H VAL A 95 -1.969 2.846 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.924 0.068 -5.063 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.492 1.680 -2.683 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.593 0.602 -1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.575 -0.580 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.823 -0.088 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.644 2.915 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.876 2.355 -4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.487 3.428 -4.064 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.040 -0.814 -4.123 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.346 -1.387 -3.843 1.00 0.00 C ATOM 1379 C GLN A 96 -4.296 -2.220 -2.561 1.00 0.00 C ATOM 1380 O GLN A 96 -3.316 -2.920 -2.308 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.841 -2.225 -5.023 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.024 -3.105 -4.612 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.075 -3.165 -5.722 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -8.172 -2.458 -5.467 1.00 0.00 O flip ATOM 1385 NE2 GLN A 96 -6.901 -3.810 -6.743 1.00 0.00 N flip ATOM 0 H GLN A 96 -2.265 -1.476 -4.079 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.055 -0.572 -3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.138 -1.568 -5.841 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.030 -2.851 -5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.672 -4.111 -4.385 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.475 -2.712 -3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.034 -4.331 -6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.622 -3.828 -7.464 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.365 -2.118 -1.785 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.456 -2.854 -0.535 1.00 0.00 C ATOM 1396 C VAL A 97 -6.790 -3.600 -0.483 1.00 0.00 C ATOM 1397 O VAL A 97 -7.697 -3.314 -1.264 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.256 -1.904 0.647 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.856 -1.286 0.624 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.334 -0.818 0.667 1.00 0.00 C ATOM 0 H VAL A 97 -6.176 -1.537 -1.998 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.664 -3.600 -0.473 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.350 -2.486 1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.741 -0.615 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.108 -2.077 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.721 -0.725 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.168 -0.156 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.286 -0.241 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.316 -1.282 0.755 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.869 -4.543 0.445 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.078 -5.332 0.609 1.00 0.00 C ATOM 1412 C LEU A 98 -8.731 -4.985 1.948 1.00 0.00 C ATOM 1413 O LEU A 98 -8.149 -5.219 3.006 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.771 -6.822 0.442 1.00 0.00 C ATOM 1415 CG LEU A 98 -7.867 -7.371 -0.983 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -7.348 -8.809 -1.052 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -9.293 -7.250 -1.523 1.00 0.00 C ATOM 0 H LEU A 98 -6.115 -4.778 1.091 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.800 -5.089 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.764 -7.009 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.456 -7.387 1.075 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.228 -6.766 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.427 -9.176 -2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.305 -8.835 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.942 -9.442 -0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.333 -7.647 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.973 -7.815 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.591 -6.202 -1.532 1.00 0.00 H new ATOM 1429 N ARG A 99 -9.932 -4.432 1.858 1.00 0.00 N ATOM 1430 CA ARG A 99 -10.670 -4.050 3.050 1.00 0.00 C ATOM 1431 C ARG A 99 -11.968 -4.854 3.151 1.00 0.00 C ATOM 1432 O ARG A 99 -12.636 -5.090 2.146 1.00 0.00 O ATOM 1433 CB ARG A 99 -11.004 -2.557 3.036 1.00 0.00 C ATOM 1434 CG ARG A 99 -9.747 -1.712 3.256 1.00 0.00 C ATOM 1435 CD ARG A 99 -10.089 -0.391 3.949 1.00 0.00 C ATOM 1436 NE ARG A 99 -9.216 -0.198 5.128 1.00 0.00 N ATOM 1437 CZ ARG A 99 -9.528 0.581 6.174 1.00 0.00 C ATOM 1438 NH1 ARG A 99 -10.692 1.243 6.192 1.00 0.00 N ATOM 1439 NH2 ARG A 99 -8.675 0.696 7.200 1.00 0.00 N ATOM 0 H ARG A 99 -10.412 -4.240 0.979 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.039 -4.262 3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.462 -2.292 2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.735 -2.337 3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.031 -2.269 3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.267 -1.511 2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.962 0.438 3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.135 -0.392 4.257 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.321 -0.688 5.146 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.341 1.155 5.410 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.929 1.836 6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.789 0.191 7.185 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.912 1.288 7.996 1.00 0.00 H new ATOM 1453 N ARG A 100 -12.285 -5.254 4.374 1.00 0.00 N ATOM 1454 CA ARG A 100 -13.490 -6.027 4.619 1.00 0.00 C ATOM 1455 C ARG A 100 -14.662 -5.450 3.823 1.00 0.00 C ATOM 1456 O ARG A 100 -14.583 -4.332 3.317 1.00 0.00 O ATOM 1457 CB ARG A 100 -13.847 -6.033 6.107 1.00 0.00 C ATOM 1458 CG ARG A 100 -13.846 -4.614 6.677 1.00 0.00 C ATOM 1459 CD ARG A 100 -15.273 -4.089 6.846 1.00 0.00 C ATOM 1460 NE ARG A 100 -15.378 -2.720 6.293 1.00 0.00 N ATOM 1461 CZ ARG A 100 -16.527 -2.039 6.188 1.00 0.00 C ATOM 1462 NH1 ARG A 100 -17.676 -2.594 6.598 1.00 0.00 N ATOM 1463 NH2 ARG A 100 -16.528 -0.801 5.674 1.00 0.00 N ATOM 0 H ARG A 100 -11.728 -5.057 5.205 1.00 0.00 H new ATOM 0 HA ARG A 100 -13.298 -7.051 4.299 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -14.829 -6.484 6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -13.133 -6.649 6.653 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -13.335 -4.606 7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -13.288 -3.953 6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -15.975 -4.750 6.338 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -15.545 -4.086 7.901 1.00 0.00 H new ATOM 0 HE ARG A 100 -14.522 -2.267 5.972 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -17.676 -3.536 6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -18.550 -2.075 6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -15.654 -0.377 5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -17.403 -0.283 5.594 1.00 0.00 H new ATOM 1477 N THR A 101 -15.723 -6.239 3.737 1.00 0.00 N ATOM 1478 CA THR A 101 -16.910 -5.821 3.011 1.00 0.00 C ATOM 1479 C THR A 101 -17.442 -4.501 3.574 1.00 0.00 C ATOM 1480 O THR A 101 -17.529 -4.331 4.789 1.00 0.00 O ATOM 1481 CB THR A 101 -17.928 -6.961 3.071 1.00 0.00 C ATOM 1482 OG1 THR A 101 -18.117 -7.186 4.465 1.00 0.00 O ATOM 1483 CG2 THR A 101 -17.356 -8.284 2.555 1.00 0.00 C ATOM 0 H THR A 101 -15.785 -7.166 4.158 1.00 0.00 H new ATOM 0 HA THR A 101 -16.683 -5.624 1.963 1.00 0.00 H new ATOM 0 HB THR A 101 -18.808 -6.692 2.486 1.00 0.00 H new ATOM 0 HG1 THR A 101 -17.998 -6.344 4.951 1.00 0.00 H new ATOM 0 HG21 THR A 101 -18.119 -9.060 2.619 1.00 0.00 H new ATOM 0 HG22 THR A 101 -17.045 -8.166 1.517 1.00 0.00 H new ATOM 0 HG23 THR A 101 -16.496 -8.570 3.161 1.00 0.00 H new ATOM 1491 N SER A 102 -17.786 -3.602 2.664 1.00 0.00 N ATOM 1492 CA SER A 102 -18.307 -2.303 3.054 1.00 0.00 C ATOM 1493 C SER A 102 -19.744 -2.144 2.553 1.00 0.00 C ATOM 1494 O SER A 102 -20.660 -1.922 3.343 1.00 0.00 O ATOM 1495 CB SER A 102 -17.428 -1.172 2.516 1.00 0.00 C ATOM 1496 OG SER A 102 -17.938 0.112 2.864 1.00 0.00 O ATOM 0 H SER A 102 -17.714 -3.748 1.657 1.00 0.00 H new ATOM 0 HA SER A 102 -18.300 -2.244 4.142 1.00 0.00 H new ATOM 0 HB2 SER A 102 -16.417 -1.280 2.910 1.00 0.00 H new ATOM 0 HB3 SER A 102 -17.358 -1.252 1.431 1.00 0.00 H new ATOM 0 HG SER A 102 -17.348 0.807 2.504 1.00 0.00 H new ATOM 1502 N GLY A 103 -19.896 -2.263 1.242 1.00 0.00 N ATOM 1503 CA GLY A 103 -21.205 -2.135 0.626 1.00 0.00 C ATOM 1504 C GLY A 103 -21.534 -0.669 0.336 1.00 0.00 C ATOM 1505 O GLY A 103 -20.637 0.170 0.268 1.00 0.00 O ATOM 0 H GLY A 103 -19.134 -2.447 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -21.232 -2.708 -0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -21.964 -2.558 1.284 1.00 0.00 H new ATOM 1509 N PRO A 104 -22.856 -0.399 0.168 1.00 0.00 N ATOM 1510 CA PRO A 104 -23.314 0.951 -0.113 1.00 0.00 C ATOM 1511 C PRO A 104 -23.260 1.821 1.144 1.00 0.00 C ATOM 1512 O PRO A 104 -24.245 1.925 1.874 1.00 0.00 O ATOM 1513 CB PRO A 104 -24.722 0.783 -0.659 1.00 0.00 C ATOM 1514 CG PRO A 104 -25.173 -0.604 -0.231 1.00 0.00 C ATOM 1515 CD PRO A 104 -23.946 -1.367 0.241 1.00 0.00 C ATOM 0 HA PRO A 104 -22.681 1.469 -0.834 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -25.388 1.550 -0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -24.734 0.880 -1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -25.911 -0.536 0.568 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -25.650 -1.124 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -24.078 -1.739 1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -23.750 -2.232 -0.392 1.00 0.00 H new ATOM 1523 N SER A 105 -22.100 2.425 1.359 1.00 0.00 N ATOM 1524 CA SER A 105 -21.905 3.282 2.515 1.00 0.00 C ATOM 1525 C SER A 105 -20.510 3.910 2.472 1.00 0.00 C ATOM 1526 O SER A 105 -19.612 3.390 1.812 1.00 0.00 O ATOM 1527 CB SER A 105 -22.096 2.503 3.818 1.00 0.00 C ATOM 1528 OG SER A 105 -23.302 2.865 4.485 1.00 0.00 O ATOM 0 H SER A 105 -21.286 2.337 0.751 1.00 0.00 H new ATOM 0 HA SER A 105 -22.654 4.073 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 105 -22.107 1.434 3.603 1.00 0.00 H new ATOM 0 HB3 SER A 105 -21.248 2.686 4.478 1.00 0.00 H new ATOM 0 HG SER A 105 -24.065 2.700 3.893 1.00 0.00 H new ATOM 1534 N SER A 106 -20.373 5.018 3.185 1.00 0.00 N ATOM 1535 CA SER A 106 -19.103 5.722 3.236 1.00 0.00 C ATOM 1536 C SER A 106 -18.571 5.946 1.819 1.00 0.00 C ATOM 1537 O SER A 106 -17.945 5.060 1.240 1.00 0.00 O ATOM 1538 CB SER A 106 -18.079 4.950 4.071 1.00 0.00 C ATOM 1539 OG SER A 106 -18.250 5.176 5.468 1.00 0.00 O ATOM 0 H SER A 106 -21.120 5.446 3.732 1.00 0.00 H new ATOM 0 HA SER A 106 -19.267 6.688 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 106 -18.171 3.884 3.862 1.00 0.00 H new ATOM 0 HB3 SER A 106 -17.073 5.247 3.776 1.00 0.00 H new ATOM 0 HG SER A 106 -17.579 4.665 5.967 1.00 0.00 H new ATOM 1545 N GLY A 107 -18.839 7.136 1.302 1.00 0.00 N ATOM 1546 CA GLY A 107 -18.395 7.488 -0.036 1.00 0.00 C ATOM 1547 C GLY A 107 -17.986 8.961 -0.108 1.00 0.00 C ATOM 1548 O GLY A 107 -18.821 9.829 -0.355 1.00 0.00 O ATOM 0 H GLY A 107 -19.358 7.869 1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -17.552 6.858 -0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -19.194 7.293 -0.751 1.00 0.00 H new TER 1552 GLY A 107