USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 683 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 59 SER OG : rot 180:sc= 0.0984 USER MOD Set 1.2: A 74 CYS SG : rot -149:sc= -0.647 USER MOD Set 2.1: A 33 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Set 2.2: A 36 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0504 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0873 X(o=-0.087,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 151:sc= 1.27 (180deg=0.0422) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 76:sc= 1.2 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 2:sc= -0.0145 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0678 USER MOD Single : A 17 SER OG : rot 72:sc= 0.00575 USER MOD Single : A 20 GLN : amide:sc= -0.585 X(o=-0.59,f=-0.86) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -115:sc= 0.886 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.223) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.844 USER MOD Single : A 38 HIS : no HE2:sc= -1.88! C(o=-1.9!,f=-6.4!) USER MOD Single : A 39 ASN : amide:sc= 0.354 K(o=0.35,f=-3.8!) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 1.95 (180deg=1.74) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -172:sc= 0 (180deg=-0.131) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 154:sc= -0.193 (180deg=-0.919) USER MOD Single : A 65 GLN : amide:sc=-0.00393 X(o=-0.0039,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.0724 X(o=-0.072,f=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.919 K(o=0.92,f=-0.055) USER MOD Single : A 83 THR OG1 : rot 10:sc= 0.821 USER MOD Single : A 85 GLN : amide:sc= -0.237 K(o=-0.24,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.111 -1.460 11.821 1.00 0.00 N ATOM 2 CA GLY A 1 -14.055 -2.506 12.234 1.00 0.00 C ATOM 3 C GLY A 1 -14.657 -3.222 11.032 1.00 0.00 C ATOM 4 O GLY A 1 -14.031 -3.292 9.976 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.225 -1.560 12.357 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.913 -1.553 10.804 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.525 -0.525 12.009 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.544 -3.228 12.870 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.852 -2.063 12.831 1.00 0.00 H new ATOM 8 N HIS A 2 -15.837 -3.828 11.183 1.00 0.00 N ATOM 9 CA HIS A 2 -16.381 -4.753 10.190 1.00 0.00 C ATOM 10 C HIS A 2 -16.770 -4.045 8.889 1.00 0.00 C ATOM 11 O HIS A 2 -17.851 -3.462 8.784 1.00 0.00 O ATOM 12 CB HIS A 2 -17.540 -5.565 10.780 1.00 0.00 C ATOM 13 CG HIS A 2 -17.086 -6.536 11.843 1.00 0.00 C ATOM 14 ND1 HIS A 2 -17.623 -6.707 13.103 1.00 0.00 N ATOM 15 CD2 HIS A 2 -16.095 -7.461 11.682 1.00 0.00 C ATOM 16 CE1 HIS A 2 -16.974 -7.734 13.684 1.00 0.00 C ATOM 17 NE2 HIS A 2 -16.040 -8.211 12.840 1.00 0.00 N ATOM 0 H HIS A 2 -16.439 -3.691 11.995 1.00 0.00 H new ATOM 0 HA HIS A 2 -15.590 -5.454 9.924 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -18.276 -4.884 11.206 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -18.038 -6.114 9.981 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -15.470 -7.584 10.810 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -17.172 -8.116 14.674 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -15.405 -8.988 13.023 1.00 0.00 H new ATOM 26 N SER A 3 -15.880 -4.142 7.902 1.00 0.00 N ATOM 27 CA SER A 3 -15.956 -3.536 6.584 1.00 0.00 C ATOM 28 C SER A 3 -16.016 -1.999 6.662 1.00 0.00 C ATOM 29 O SER A 3 -16.154 -1.399 7.735 1.00 0.00 O ATOM 30 CB SER A 3 -17.090 -4.195 5.781 1.00 0.00 C ATOM 31 OG SER A 3 -17.043 -5.612 5.911 1.00 0.00 O ATOM 0 H SER A 3 -15.026 -4.688 8.017 1.00 0.00 H new ATOM 0 HA SER A 3 -15.037 -3.729 6.031 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.053 -3.825 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.006 -3.919 4.730 1.00 0.00 H new ATOM 0 HG SER A 3 -17.773 -6.012 5.394 1.00 0.00 H new ATOM 37 N LYS A 4 -15.814 -1.355 5.520 1.00 0.00 N ATOM 38 CA LYS A 4 -15.819 0.082 5.248 1.00 0.00 C ATOM 39 C LYS A 4 -15.641 0.219 3.731 1.00 0.00 C ATOM 40 O LYS A 4 -15.630 -0.812 3.049 1.00 0.00 O ATOM 41 CB LYS A 4 -14.711 0.817 6.029 1.00 0.00 C ATOM 42 CG LYS A 4 -13.307 0.261 5.744 1.00 0.00 C ATOM 43 CD LYS A 4 -12.190 1.013 6.470 1.00 0.00 C ATOM 44 CE LYS A 4 -12.184 2.520 6.187 1.00 0.00 C ATOM 45 NZ LYS A 4 -12.636 3.332 7.333 1.00 0.00 N ATOM 0 H LYS A 4 -15.622 -1.881 4.668 1.00 0.00 H new ATOM 0 HA LYS A 4 -16.749 0.544 5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -14.735 1.876 5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.916 0.742 7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.275 -0.789 6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.121 0.300 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.293 0.853 7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.229 0.592 6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.175 2.826 5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.826 2.724 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.178 4.265 7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.668 3.452 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.381 2.853 8.220 1.00 0.00 H new ATOM 59 N MET A 5 -15.447 1.433 3.216 1.00 0.00 N ATOM 60 CA MET A 5 -15.494 1.712 1.789 1.00 0.00 C ATOM 61 C MET A 5 -16.946 1.640 1.312 1.00 0.00 C ATOM 62 O MET A 5 -17.550 0.573 1.213 1.00 0.00 O ATOM 63 CB MET A 5 -14.401 0.959 0.988 1.00 0.00 C ATOM 64 CG MET A 5 -14.818 0.452 -0.396 1.00 0.00 C ATOM 65 SD MET A 5 -15.530 -1.211 -0.401 1.00 0.00 S ATOM 66 CE MET A 5 -16.539 -1.078 -1.898 1.00 0.00 C ATOM 0 H MET A 5 -15.251 2.255 3.787 1.00 0.00 H new ATOM 0 HA MET A 5 -15.194 2.738 1.573 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.544 1.622 0.868 1.00 0.00 H new ATOM 0 HB3 MET A 5 -14.065 0.108 1.580 1.00 0.00 H new ATOM 0 HG2 MET A 5 -15.544 1.146 -0.820 1.00 0.00 H new ATOM 0 HG3 MET A 5 -13.947 0.463 -1.051 1.00 0.00 H new ATOM 0 HE1 MET A 5 -17.062 -2.019 -2.069 1.00 0.00 H new ATOM 0 HE2 MET A 5 -17.267 -0.276 -1.776 1.00 0.00 H new ATOM 0 HE3 MET A 5 -15.897 -0.859 -2.751 1.00 0.00 H new ATOM 76 N SER A 6 -17.514 2.825 1.095 1.00 0.00 N ATOM 77 CA SER A 6 -18.809 3.038 0.489 1.00 0.00 C ATOM 78 C SER A 6 -18.716 2.735 -1.009 1.00 0.00 C ATOM 79 O SER A 6 -19.411 1.857 -1.518 1.00 0.00 O ATOM 80 CB SER A 6 -19.249 4.477 0.786 1.00 0.00 C ATOM 81 OG SER A 6 -18.184 5.406 0.633 1.00 0.00 O ATOM 0 H SER A 6 -17.054 3.698 1.352 1.00 0.00 H new ATOM 0 HA SER A 6 -19.564 2.369 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.066 4.750 0.119 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.636 4.534 1.803 1.00 0.00 H new ATOM 0 HG SER A 6 -18.024 5.567 -0.320 1.00 0.00 H new ATOM 87 N ASP A 7 -17.848 3.463 -1.709 1.00 0.00 N ATOM 88 CA ASP A 7 -17.902 3.687 -3.148 1.00 0.00 C ATOM 89 C ASP A 7 -16.484 3.845 -3.675 1.00 0.00 C ATOM 90 O ASP A 7 -15.791 4.826 -3.401 1.00 0.00 O ATOM 91 CB ASP A 7 -18.770 4.912 -3.468 1.00 0.00 C ATOM 92 CG ASP A 7 -18.156 6.226 -2.981 1.00 0.00 C ATOM 93 OD1 ASP A 7 -17.950 6.372 -1.752 1.00 0.00 O ATOM 94 OD2 ASP A 7 -17.802 7.077 -3.832 1.00 0.00 O ATOM 0 H ASP A 7 -17.056 3.931 -1.269 1.00 0.00 H new ATOM 0 HA ASP A 7 -18.364 2.832 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -18.926 4.968 -4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -19.751 4.784 -3.010 1.00 0.00 H new ATOM 99 N VAL A 8 -16.000 2.803 -4.337 1.00 0.00 N ATOM 100 CA VAL A 8 -14.628 2.630 -4.763 1.00 0.00 C ATOM 101 C VAL A 8 -14.660 1.927 -6.099 1.00 0.00 C ATOM 102 O VAL A 8 -14.896 0.722 -6.221 1.00 0.00 O ATOM 103 CB VAL A 8 -13.804 1.897 -3.688 1.00 0.00 C ATOM 104 CG1 VAL A 8 -12.372 1.612 -4.139 1.00 0.00 C ATOM 105 CG2 VAL A 8 -13.770 2.766 -2.433 1.00 0.00 C ATOM 0 H VAL A 8 -16.591 2.015 -4.603 1.00 0.00 H new ATOM 0 HA VAL A 8 -14.122 3.587 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.279 0.935 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.836 1.094 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.389 0.987 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.868 2.552 -4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.190 2.264 -1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -13.309 3.725 -2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.787 2.930 -2.076 1.00 0.00 H new ATOM 115 N LYS A 9 -14.473 2.747 -7.117 1.00 0.00 N ATOM 116 CA LYS A 9 -14.485 2.371 -8.520 1.00 0.00 C ATOM 117 C LYS A 9 -13.168 1.711 -8.941 1.00 0.00 C ATOM 118 O LYS A 9 -13.085 1.131 -10.019 1.00 0.00 O ATOM 119 CB LYS A 9 -14.746 3.654 -9.315 1.00 0.00 C ATOM 120 CG LYS A 9 -16.175 4.130 -9.014 1.00 0.00 C ATOM 121 CD LYS A 9 -17.144 3.437 -9.978 1.00 0.00 C ATOM 122 CE LYS A 9 -18.575 3.732 -9.563 1.00 0.00 C ATOM 123 NZ LYS A 9 -19.525 3.325 -10.618 1.00 0.00 N ATOM 0 H LYS A 9 -14.300 3.743 -6.981 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.261 1.630 -8.712 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.024 4.423 -9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.625 3.470 -10.382 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.440 3.898 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.243 5.212 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.971 3.785 -10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.968 2.361 -9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.805 3.204 -8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.686 4.797 -9.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.496 3.537 -10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.317 3.847 -11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.432 2.304 -10.794 1.00 0.00 H new ATOM 137 N CYS A 10 -12.154 1.777 -8.081 1.00 0.00 N ATOM 138 CA CYS A 10 -10.822 1.244 -8.263 1.00 0.00 C ATOM 139 C CYS A 10 -10.425 0.618 -6.941 1.00 0.00 C ATOM 140 O CYS A 10 -9.961 1.319 -6.043 1.00 0.00 O ATOM 141 CB CYS A 10 -9.898 2.402 -8.669 1.00 0.00 C ATOM 142 SG CYS A 10 -10.321 3.022 -10.316 1.00 0.00 S ATOM 0 H CYS A 10 -12.258 2.239 -7.177 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.761 0.488 -9.045 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.979 3.209 -7.941 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -8.861 2.066 -8.658 1.00 0.00 H new ATOM 0 HG CYS A 10 -11.350 2.372 -10.773 1.00 0.00 H new ATOM 148 N THR A 11 -10.638 -0.692 -6.828 1.00 0.00 N ATOM 149 CA THR A 11 -10.263 -1.459 -5.658 1.00 0.00 C ATOM 150 C THR A 11 -8.865 -2.039 -5.906 1.00 0.00 C ATOM 151 O THR A 11 -7.867 -1.370 -5.641 1.00 0.00 O ATOM 152 CB THR A 11 -11.326 -2.522 -5.324 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.658 -2.103 -5.541 1.00 0.00 O ATOM 154 CG2 THR A 11 -11.228 -2.868 -3.856 1.00 0.00 C ATOM 0 H THR A 11 -11.081 -1.250 -7.558 1.00 0.00 H new ATOM 0 HA THR A 11 -10.219 -0.825 -4.772 1.00 0.00 H new ATOM 0 HB THR A 11 -11.119 -3.361 -5.989 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.272 -2.831 -5.309 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.977 -3.620 -3.609 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.234 -3.260 -3.640 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.402 -1.973 -3.259 1.00 0.00 H new ATOM 162 N SER A 12 -8.742 -3.250 -6.452 1.00 0.00 N ATOM 163 CA SER A 12 -7.474 -3.955 -6.604 1.00 0.00 C ATOM 164 C SER A 12 -6.784 -3.578 -7.921 1.00 0.00 C ATOM 165 O SER A 12 -6.154 -4.413 -8.563 1.00 0.00 O ATOM 166 CB SER A 12 -7.766 -5.460 -6.465 1.00 0.00 C ATOM 167 OG SER A 12 -8.974 -5.832 -7.105 1.00 0.00 O ATOM 0 H SER A 12 -9.540 -3.777 -6.808 1.00 0.00 H new ATOM 0 HA SER A 12 -6.764 -3.665 -5.830 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.940 -6.029 -6.892 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.821 -5.722 -5.408 1.00 0.00 H new ATOM 0 HG SER A 12 -9.120 -6.795 -6.994 1.00 0.00 H new ATOM 173 N VAL A 13 -6.863 -2.298 -8.294 1.00 0.00 N ATOM 174 CA VAL A 13 -6.369 -1.756 -9.554 1.00 0.00 C ATOM 175 C VAL A 13 -5.333 -0.685 -9.200 1.00 0.00 C ATOM 176 O VAL A 13 -4.144 -0.976 -9.217 1.00 0.00 O ATOM 177 CB VAL A 13 -7.570 -1.383 -10.470 1.00 0.00 C ATOM 178 CG1 VAL A 13 -8.384 -2.641 -10.807 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.523 -0.352 -9.890 1.00 0.00 C ATOM 0 H VAL A 13 -7.290 -1.587 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.828 -2.462 -10.185 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.116 -0.935 -11.354 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.223 -2.371 -11.449 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.747 -3.358 -11.325 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.760 -3.088 -9.887 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.326 -0.158 -10.601 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.946 -0.730 -8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.982 0.573 -9.693 1.00 0.00 H new ATOM 189 N VAL A 14 -5.765 0.473 -8.699 1.00 0.00 N ATOM 190 CA VAL A 14 -5.008 1.585 -8.120 1.00 0.00 C ATOM 191 C VAL A 14 -3.636 1.190 -7.566 1.00 0.00 C ATOM 192 O VAL A 14 -2.600 1.651 -8.033 1.00 0.00 O ATOM 193 CB VAL A 14 -5.819 2.373 -7.063 1.00 0.00 C ATOM 194 CG1 VAL A 14 -6.478 3.636 -7.610 1.00 0.00 C ATOM 195 CG2 VAL A 14 -6.901 1.500 -6.450 1.00 0.00 C ATOM 0 H VAL A 14 -6.764 0.677 -8.688 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.819 2.247 -8.965 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.089 2.674 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.028 4.134 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.712 4.308 -7.997 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.166 3.369 -8.413 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.457 2.076 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.581 1.160 -7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.442 0.637 -5.968 1.00 0.00 H new ATOM 205 N LEU A 15 -3.615 0.333 -6.544 1.00 0.00 N ATOM 206 CA LEU A 15 -2.382 0.041 -5.832 1.00 0.00 C ATOM 207 C LEU A 15 -1.462 -0.891 -6.599 1.00 0.00 C ATOM 208 O LEU A 15 -0.247 -0.851 -6.402 1.00 0.00 O ATOM 209 CB LEU A 15 -2.741 -0.562 -4.481 1.00 0.00 C ATOM 210 CG LEU A 15 -1.544 -0.708 -3.527 1.00 0.00 C ATOM 211 CD1 LEU A 15 -0.791 0.610 -3.294 1.00 0.00 C ATOM 212 CD2 LEU A 15 -2.017 -1.227 -2.178 1.00 0.00 C ATOM 0 H LEU A 15 -4.435 -0.165 -6.197 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.831 0.973 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.498 0.061 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.189 -1.543 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.859 -1.408 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.042 0.438 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.410 0.984 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.469 1.345 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.164 -1.328 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.734 -0.527 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.493 -2.199 -2.309 1.00 0.00 H new ATOM 224 N LEU A 16 -2.012 -1.734 -7.471 1.00 0.00 N ATOM 225 CA LEU A 16 -1.197 -2.448 -8.446 1.00 0.00 C ATOM 226 C LEU A 16 -0.510 -1.379 -9.297 1.00 0.00 C ATOM 227 O LEU A 16 0.715 -1.383 -9.408 1.00 0.00 O ATOM 228 CB LEU A 16 -2.022 -3.443 -9.294 1.00 0.00 C ATOM 229 CG LEU A 16 -2.391 -4.774 -8.606 1.00 0.00 C ATOM 230 CD1 LEU A 16 -3.063 -4.608 -7.238 1.00 0.00 C ATOM 231 CD2 LEU A 16 -3.194 -5.653 -9.563 1.00 0.00 C ATOM 0 H LEU A 16 -3.010 -1.937 -7.521 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.458 -3.074 -7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.943 -2.949 -9.604 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.461 -3.669 -10.201 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.456 -5.284 -8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.290 -5.590 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.391 -4.075 -6.565 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.987 -4.040 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.450 -6.590 -9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.108 -5.135 -9.853 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.598 -5.862 -10.451 1.00 0.00 H new ATOM 243 N SER A 17 -1.271 -0.398 -9.774 1.00 0.00 N ATOM 244 CA SER A 17 -0.781 0.631 -10.686 1.00 0.00 C ATOM 245 C SER A 17 0.249 1.580 -10.057 1.00 0.00 C ATOM 246 O SER A 17 0.809 2.402 -10.773 1.00 0.00 O ATOM 247 CB SER A 17 -1.971 1.419 -11.242 1.00 0.00 C ATOM 248 OG SER A 17 -2.879 0.546 -11.883 1.00 0.00 O ATOM 0 H SER A 17 -2.257 -0.294 -9.535 1.00 0.00 H new ATOM 0 HA SER A 17 -0.252 0.119 -11.490 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.475 1.949 -10.434 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.620 2.172 -11.947 1.00 0.00 H new ATOM 0 HG SER A 17 -3.346 0.008 -11.210 1.00 0.00 H new ATOM 254 N VAL A 18 0.525 1.494 -8.749 1.00 0.00 N ATOM 255 CA VAL A 18 1.522 2.334 -8.085 1.00 0.00 C ATOM 256 C VAL A 18 2.639 1.527 -7.417 1.00 0.00 C ATOM 257 O VAL A 18 3.766 2.022 -7.309 1.00 0.00 O ATOM 258 CB VAL A 18 0.801 3.345 -7.163 1.00 0.00 C ATOM 259 CG1 VAL A 18 1.767 4.321 -6.472 1.00 0.00 C ATOM 260 CG2 VAL A 18 -0.196 4.189 -7.975 1.00 0.00 C ATOM 0 H VAL A 18 0.060 0.837 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 18 2.063 2.913 -8.833 1.00 0.00 H new ATOM 0 HB VAL A 18 0.298 2.748 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.202 5.005 -5.839 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.474 3.761 -5.860 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.311 4.890 -7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.697 4.897 -7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.338 4.735 -8.753 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.937 3.535 -8.434 1.00 0.00 H new ATOM 270 N LEU A 19 2.382 0.297 -6.966 1.00 0.00 N ATOM 271 CA LEU A 19 3.362 -0.458 -6.192 1.00 0.00 C ATOM 272 C LEU A 19 3.911 -1.580 -7.040 1.00 0.00 C ATOM 273 O LEU A 19 4.996 -1.420 -7.596 1.00 0.00 O ATOM 274 CB LEU A 19 2.796 -0.870 -4.822 1.00 0.00 C ATOM 275 CG LEU A 19 3.652 -0.301 -3.680 1.00 0.00 C ATOM 276 CD1 LEU A 19 2.745 0.342 -2.642 1.00 0.00 C ATOM 277 CD2 LEU A 19 4.633 -1.335 -3.121 1.00 0.00 C ATOM 0 H LEU A 19 1.503 -0.195 -7.125 1.00 0.00 H new ATOM 0 HA LEU A 19 4.218 0.167 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.771 -0.513 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.763 -1.957 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 19 4.300 0.486 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.350 0.746 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.175 1.147 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.059 -0.406 -2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.216 -0.886 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.079 -2.190 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.304 -1.666 -3.914 1.00 0.00 H new ATOM 289 N GLN A 20 3.157 -2.666 -7.206 1.00 0.00 N ATOM 290 CA GLN A 20 3.506 -3.773 -8.074 1.00 0.00 C ATOM 291 C GLN A 20 3.947 -3.343 -9.472 1.00 0.00 C ATOM 292 O GLN A 20 4.715 -4.084 -10.067 1.00 0.00 O ATOM 293 CB GLN A 20 2.337 -4.751 -8.132 1.00 0.00 C ATOM 294 CG GLN A 20 1.375 -4.637 -9.302 1.00 0.00 C ATOM 295 CD GLN A 20 1.660 -5.572 -10.475 1.00 0.00 C ATOM 296 OE1 GLN A 20 1.684 -6.785 -10.312 1.00 0.00 O ATOM 297 NE2 GLN A 20 1.790 -5.066 -11.696 1.00 0.00 N ATOM 0 H GLN A 20 2.267 -2.797 -6.726 1.00 0.00 H new ATOM 0 HA GLN A 20 4.379 -4.264 -7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.746 -5.762 -8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.761 -4.640 -7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.365 -4.831 -8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.391 -3.610 -9.666 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.770 -4.056 -11.834 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.910 -5.688 -12.496 1.00 0.00 H new ATOM 306 N GLN A 21 3.503 -2.159 -9.932 1.00 0.00 N ATOM 307 CA GLN A 21 3.913 -1.439 -11.131 1.00 0.00 C ATOM 308 C GLN A 21 5.370 -1.767 -11.483 1.00 0.00 C ATOM 309 O GLN A 21 5.660 -2.117 -12.628 1.00 0.00 O ATOM 310 CB GLN A 21 3.691 0.072 -10.871 1.00 0.00 C ATOM 311 CG GLN A 21 3.371 0.948 -12.093 1.00 0.00 C ATOM 312 CD GLN A 21 4.502 1.090 -13.106 1.00 0.00 C ATOM 313 OE1 GLN A 21 5.356 1.971 -13.018 1.00 0.00 O ATOM 314 NE2 GLN A 21 4.521 0.247 -14.118 1.00 0.00 N ATOM 0 H GLN A 21 2.785 -1.644 -9.422 1.00 0.00 H new ATOM 0 HA GLN A 21 3.319 -1.742 -11.993 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.875 0.177 -10.155 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.587 0.469 -10.394 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.501 0.531 -12.600 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.091 1.942 -11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.811 -0.482 -14.188 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.245 0.323 -14.832 1.00 0.00 H new ATOM 323 N LEU A 22 6.258 -1.714 -10.477 1.00 0.00 N ATOM 324 CA LEU A 22 7.560 -2.372 -10.533 1.00 0.00 C ATOM 325 C LEU A 22 8.083 -3.005 -9.235 1.00 0.00 C ATOM 326 O LEU A 22 9.090 -3.706 -9.284 1.00 0.00 O ATOM 327 CB LEU A 22 8.577 -1.620 -11.413 1.00 0.00 C ATOM 328 CG LEU A 22 8.956 -0.190 -11.016 1.00 0.00 C ATOM 329 CD1 LEU A 22 7.929 0.879 -11.390 1.00 0.00 C ATOM 330 CD2 LEU A 22 9.124 -0.259 -9.520 1.00 0.00 C ATOM 0 H LEU A 22 6.087 -1.212 -9.605 1.00 0.00 H new ATOM 0 HA LEU A 22 7.369 -3.295 -11.080 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.492 -2.211 -11.444 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.182 -1.591 -12.428 1.00 0.00 H new ATOM 0 HG LEU A 22 9.850 0.120 -11.557 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.288 1.857 -11.068 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.785 0.883 -12.470 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.981 0.660 -10.899 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.398 0.725 -9.139 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.187 -0.577 -9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.909 -0.975 -9.275 1.00 0.00 H new ATOM 342 N ARG A 23 7.472 -2.762 -8.070 1.00 0.00 N ATOM 343 CA ARG A 23 8.101 -3.117 -6.792 1.00 0.00 C ATOM 344 C ARG A 23 7.829 -4.554 -6.378 1.00 0.00 C ATOM 345 O ARG A 23 8.662 -5.150 -5.705 1.00 0.00 O ATOM 346 CB ARG A 23 7.594 -2.158 -5.708 1.00 0.00 C ATOM 347 CG ARG A 23 8.143 -0.739 -5.923 1.00 0.00 C ATOM 348 CD ARG A 23 7.085 0.363 -5.798 1.00 0.00 C ATOM 349 NE ARG A 23 7.583 1.542 -5.068 1.00 0.00 N ATOM 350 CZ ARG A 23 6.998 2.743 -4.957 1.00 0.00 C ATOM 351 NH1 ARG A 23 5.847 3.025 -5.564 1.00 0.00 N ATOM 352 NH2 ARG A 23 7.591 3.670 -4.219 1.00 0.00 N ATOM 0 H ARG A 23 6.554 -2.326 -7.985 1.00 0.00 H new ATOM 0 HA ARG A 23 9.180 -3.027 -6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.504 -2.135 -5.719 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.895 -2.523 -4.726 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.935 -0.553 -5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.597 -0.682 -6.912 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.761 0.666 -6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.209 -0.035 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 23 8.478 1.431 -4.591 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.384 2.317 -6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.428 3.949 -5.459 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.473 3.462 -3.751 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.166 4.592 -4.119 1.00 0.00 H new ATOM 366 N VAL A 24 6.635 -5.043 -6.702 1.00 0.00 N ATOM 367 CA VAL A 24 6.078 -6.300 -6.169 1.00 0.00 C ATOM 368 C VAL A 24 5.269 -7.079 -7.234 1.00 0.00 C ATOM 369 O VAL A 24 4.102 -7.403 -7.034 1.00 0.00 O ATOM 370 CB VAL A 24 5.330 -6.001 -4.837 1.00 0.00 C ATOM 371 CG1 VAL A 24 4.212 -4.962 -4.970 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.801 -7.252 -4.129 1.00 0.00 C ATOM 0 H VAL A 24 6.008 -4.573 -7.355 1.00 0.00 H new ATOM 0 HA VAL A 24 6.881 -6.994 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 24 6.108 -5.568 -4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.740 -4.809 -4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.631 -4.019 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.468 -5.317 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.292 -6.962 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.100 -7.771 -4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.633 -7.914 -3.890 1.00 0.00 H new ATOM 382 N GLU A 25 5.845 -7.335 -8.407 1.00 0.00 N ATOM 383 CA GLU A 25 5.102 -7.917 -9.539 1.00 0.00 C ATOM 384 C GLU A 25 4.961 -9.461 -9.499 1.00 0.00 C ATOM 385 O GLU A 25 5.513 -10.143 -8.630 1.00 0.00 O ATOM 386 CB GLU A 25 5.660 -7.427 -10.890 1.00 0.00 C ATOM 387 CG GLU A 25 4.481 -7.022 -11.793 1.00 0.00 C ATOM 388 CD GLU A 25 4.725 -6.905 -13.292 1.00 0.00 C ATOM 389 OE1 GLU A 25 5.791 -7.320 -13.793 1.00 0.00 O ATOM 390 OE2 GLU A 25 3.752 -6.542 -13.999 1.00 0.00 O ATOM 0 H GLU A 25 6.828 -7.150 -8.605 1.00 0.00 H new ATOM 0 HA GLU A 25 4.083 -7.545 -9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.328 -6.579 -10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.246 -8.214 -11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.682 -7.748 -11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.108 -6.060 -11.441 1.00 0.00 H new ATOM 397 N SER A 26 4.243 -10.008 -10.495 1.00 0.00 N ATOM 398 CA SER A 26 3.990 -11.422 -10.783 1.00 0.00 C ATOM 399 C SER A 26 3.470 -12.150 -9.539 1.00 0.00 C ATOM 400 O SER A 26 4.202 -12.881 -8.855 1.00 0.00 O ATOM 401 CB SER A 26 5.236 -12.045 -11.429 1.00 0.00 C ATOM 402 OG SER A 26 4.904 -13.152 -12.242 1.00 0.00 O ATOM 0 H SER A 26 3.783 -9.410 -11.182 1.00 0.00 H new ATOM 0 HA SER A 26 3.188 -11.527 -11.514 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.749 -11.294 -12.029 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.931 -12.360 -10.650 1.00 0.00 H new ATOM 0 HG SER A 26 5.720 -13.523 -12.639 1.00 0.00 H new ATOM 408 N SER A 27 2.210 -11.876 -9.191 1.00 0.00 N ATOM 409 CA SER A 27 1.716 -12.116 -7.851 1.00 0.00 C ATOM 410 C SER A 27 0.191 -12.216 -7.778 1.00 0.00 C ATOM 411 O SER A 27 -0.524 -11.616 -8.591 1.00 0.00 O ATOM 412 CB SER A 27 2.233 -10.951 -7.007 1.00 0.00 C ATOM 413 OG SER A 27 2.265 -11.276 -5.641 1.00 0.00 O ATOM 0 H SER A 27 1.517 -11.486 -9.830 1.00 0.00 H new ATOM 0 HA SER A 27 2.071 -13.080 -7.487 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.234 -10.676 -7.340 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.596 -10.080 -7.159 1.00 0.00 H new ATOM 0 HG SER A 27 1.634 -10.706 -5.154 1.00 0.00 H new ATOM 419 N SER A 28 -0.295 -12.909 -6.739 1.00 0.00 N ATOM 420 CA SER A 28 -1.707 -12.980 -6.354 1.00 0.00 C ATOM 421 C SER A 28 -1.932 -13.617 -4.964 1.00 0.00 C ATOM 422 O SER A 28 -3.042 -14.070 -4.691 1.00 0.00 O ATOM 423 CB SER A 28 -2.507 -13.709 -7.453 1.00 0.00 C ATOM 424 OG SER A 28 -1.874 -14.906 -7.875 1.00 0.00 O ATOM 0 H SER A 28 0.308 -13.454 -6.123 1.00 0.00 H new ATOM 0 HA SER A 28 -2.073 -11.958 -6.261 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.505 -13.940 -7.080 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.632 -13.046 -8.309 1.00 0.00 H new ATOM 0 HG SER A 28 -2.416 -15.335 -8.570 1.00 0.00 H new ATOM 430 N LYS A 29 -0.916 -13.716 -4.084 1.00 0.00 N ATOM 431 CA LYS A 29 -0.965 -14.567 -2.885 1.00 0.00 C ATOM 432 C LYS A 29 -0.790 -13.759 -1.581 1.00 0.00 C ATOM 433 O LYS A 29 -1.752 -13.126 -1.143 1.00 0.00 O ATOM 434 CB LYS A 29 0.041 -15.721 -3.075 1.00 0.00 C ATOM 435 CG LYS A 29 -0.169 -16.877 -2.087 1.00 0.00 C ATOM 436 CD LYS A 29 -1.001 -18.041 -2.639 1.00 0.00 C ATOM 437 CE LYS A 29 -0.179 -18.959 -3.558 1.00 0.00 C ATOM 438 NZ LYS A 29 -0.403 -18.725 -4.997 1.00 0.00 N ATOM 0 H LYS A 29 -0.039 -13.206 -4.187 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.956 -15.006 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.042 -16.102 -4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.054 -15.334 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.805 -17.257 -1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.657 -16.490 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.401 -18.624 -1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.853 -17.646 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.880 -18.821 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.420 -19.997 -3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.087 -19.556 -5.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.416 -18.565 -5.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.136 -17.889 -5.301 1.00 0.00 H new ATOM 452 N LEU A 30 0.393 -13.733 -0.952 1.00 0.00 N ATOM 453 CA LEU A 30 0.640 -13.006 0.302 1.00 0.00 C ATOM 454 C LEU A 30 0.521 -11.503 0.093 1.00 0.00 C ATOM 455 O LEU A 30 -0.121 -10.822 0.891 1.00 0.00 O ATOM 456 CB LEU A 30 2.025 -13.370 0.871 1.00 0.00 C ATOM 457 CG LEU A 30 2.591 -12.452 1.980 1.00 0.00 C ATOM 458 CD1 LEU A 30 1.688 -12.265 3.205 1.00 0.00 C ATOM 459 CD2 LEU A 30 3.907 -13.054 2.473 1.00 0.00 C ATOM 0 H LEU A 30 1.216 -14.222 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.119 -13.305 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.974 -14.385 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.737 -13.384 0.046 1.00 0.00 H new ATOM 0 HG LEU A 30 2.698 -11.469 1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.178 -11.605 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.741 -11.824 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.503 -13.233 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.325 -12.422 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.724 -14.052 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.611 -13.117 1.644 1.00 0.00 H new ATOM 471 N TRP A 31 1.130 -10.960 -0.963 1.00 0.00 N ATOM 472 CA TRP A 31 1.056 -9.523 -1.192 1.00 0.00 C ATOM 473 C TRP A 31 -0.415 -9.112 -1.366 1.00 0.00 C ATOM 474 O TRP A 31 -0.846 -8.095 -0.824 1.00 0.00 O ATOM 475 CB TRP A 31 1.898 -9.123 -2.410 1.00 0.00 C ATOM 476 CG TRP A 31 1.349 -8.016 -3.252 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.498 -6.694 -3.026 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.559 -8.125 -4.469 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.911 -5.984 -4.058 1.00 0.00 N ATOM 480 CE2 TRP A 31 0.383 -6.822 -5.007 1.00 0.00 C ATOM 481 CE3 TRP A 31 -0.007 -9.194 -5.188 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.211 -6.599 -6.251 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.608 -8.982 -6.439 1.00 0.00 C ATOM 484 CH2 TRP A 31 -0.670 -7.696 -6.990 1.00 0.00 C ATOM 0 H TRP A 31 1.667 -11.482 -1.656 1.00 0.00 H new ATOM 0 HA TRP A 31 1.466 -8.997 -0.330 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.889 -8.831 -2.062 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.029 -10.002 -3.041 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.997 -6.258 -2.173 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.875 -4.966 -4.107 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.021 -10.190 -4.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.315 -5.596 -6.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.026 -9.818 -6.981 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.071 -7.551 -7.982 1.00 0.00 H new ATOM 495 N ALA A 32 -1.194 -9.930 -2.082 1.00 0.00 N ATOM 496 CA ALA A 32 -2.621 -9.751 -2.321 1.00 0.00 C ATOM 497 C ALA A 32 -3.405 -9.701 -1.004 1.00 0.00 C ATOM 498 O ALA A 32 -4.273 -8.844 -0.834 1.00 0.00 O ATOM 499 CB ALA A 32 -3.158 -10.856 -3.231 1.00 0.00 C ATOM 0 H ALA A 32 -0.826 -10.770 -2.528 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.758 -8.794 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.225 -10.704 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.634 -10.827 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.999 -11.826 -2.759 1.00 0.00 H new ATOM 505 N GLN A 33 -3.031 -10.546 -0.038 1.00 0.00 N ATOM 506 CA GLN A 33 -3.534 -10.556 1.336 1.00 0.00 C ATOM 507 C GLN A 33 -3.286 -9.221 2.065 1.00 0.00 C ATOM 508 O GLN A 33 -3.882 -8.974 3.113 1.00 0.00 O ATOM 509 CB GLN A 33 -2.895 -11.742 2.096 1.00 0.00 C ATOM 510 CG GLN A 33 -3.921 -12.737 2.648 1.00 0.00 C ATOM 511 CD GLN A 33 -4.633 -12.220 3.894 1.00 0.00 C ATOM 512 OE1 GLN A 33 -5.676 -11.584 3.812 1.00 0.00 O ATOM 513 NE2 GLN A 33 -4.108 -12.501 5.071 1.00 0.00 N ATOM 0 H GLN A 33 -2.337 -11.275 -0.202 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.616 -10.681 1.306 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.214 -12.268 1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.296 -11.355 2.920 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.660 -12.956 1.877 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.420 -13.676 2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.239 -13.032 5.128 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.571 -12.188 5.924 1.00 0.00 H new ATOM 522 N CYS A 34 -2.458 -8.329 1.513 1.00 0.00 N ATOM 523 CA CYS A 34 -2.288 -6.958 1.967 1.00 0.00 C ATOM 524 C CYS A 34 -2.839 -5.942 0.989 1.00 0.00 C ATOM 525 O CYS A 34 -3.211 -4.845 1.418 1.00 0.00 O ATOM 526 CB CYS A 34 -0.810 -6.700 2.216 1.00 0.00 C ATOM 527 SG CYS A 34 -0.610 -5.443 3.489 1.00 0.00 S ATOM 0 H CYS A 34 -1.870 -8.556 0.711 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.858 -6.840 2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.318 -7.623 2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.329 -6.375 1.294 1.00 0.00 H new ATOM 0 HG CYS A 34 0.656 -5.232 3.695 1.00 0.00 H new ATOM 533 N VAL A 35 -2.958 -6.291 -0.292 1.00 0.00 N ATOM 534 CA VAL A 35 -3.665 -5.435 -1.209 1.00 0.00 C ATOM 535 C VAL A 35 -5.106 -5.298 -0.709 1.00 0.00 C ATOM 536 O VAL A 35 -5.609 -4.180 -0.716 1.00 0.00 O ATOM 537 CB VAL A 35 -3.518 -5.900 -2.679 1.00 0.00 C ATOM 538 CG1 VAL A 35 -4.840 -6.193 -3.408 1.00 0.00 C ATOM 539 CG2 VAL A 35 -2.738 -4.862 -3.493 1.00 0.00 C ATOM 0 H VAL A 35 -2.578 -7.145 -0.700 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.225 -4.438 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.982 -6.847 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.630 -6.511 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.376 -6.984 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.452 -5.291 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.644 -5.204 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.269 -3.910 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.746 -4.732 -3.061 1.00 0.00 H new ATOM 549 N GLN A 36 -5.736 -6.367 -0.206 1.00 0.00 N ATOM 550 CA GLN A 36 -7.118 -6.310 0.268 1.00 0.00 C ATOM 551 C GLN A 36 -7.324 -5.166 1.263 1.00 0.00 C ATOM 552 O GLN A 36 -8.274 -4.394 1.126 1.00 0.00 O ATOM 553 CB GLN A 36 -7.620 -7.650 0.838 1.00 0.00 C ATOM 554 CG GLN A 36 -6.784 -8.282 1.958 1.00 0.00 C ATOM 555 CD GLN A 36 -7.611 -9.298 2.740 1.00 0.00 C ATOM 556 OE1 GLN A 36 -7.934 -9.028 3.994 1.00 0.00 O flip ATOM 557 NE2 GLN A 36 -8.017 -10.324 2.220 1.00 0.00 N flip ATOM 0 H GLN A 36 -5.304 -7.287 -0.118 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.730 -6.106 -0.611 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.633 -7.502 1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.685 -8.365 0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.907 -8.770 1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.422 -7.505 2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.771 -10.538 1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.602 -10.968 2.752 1.00 0.00 H new ATOM 566 N LEU A 37 -6.416 -5.024 2.232 1.00 0.00 N ATOM 567 CA LEU A 37 -6.538 -4.048 3.297 1.00 0.00 C ATOM 568 C LEU A 37 -6.319 -2.635 2.788 1.00 0.00 C ATOM 569 O LEU A 37 -6.943 -1.722 3.318 1.00 0.00 O ATOM 570 CB LEU A 37 -5.579 -4.377 4.457 1.00 0.00 C ATOM 571 CG LEU A 37 -6.305 -4.759 5.760 1.00 0.00 C ATOM 572 CD1 LEU A 37 -7.172 -3.628 6.310 1.00 0.00 C ATOM 573 CD2 LEU A 37 -7.175 -6.009 5.589 1.00 0.00 C ATOM 0 H LEU A 37 -5.571 -5.592 2.292 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.558 -4.101 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.928 -5.198 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.939 -3.515 4.645 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.510 -4.966 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.658 -3.956 7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.547 -2.760 6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.930 -3.360 5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.668 -6.241 6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.928 -5.826 4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.549 -6.850 5.290 1.00 0.00 H new ATOM 585 N HIS A 38 -5.517 -2.423 1.734 1.00 0.00 N ATOM 586 CA HIS A 38 -5.353 -1.081 1.178 1.00 0.00 C ATOM 587 C HIS A 38 -6.706 -0.454 0.816 1.00 0.00 C ATOM 588 O HIS A 38 -6.817 0.764 0.868 1.00 0.00 O ATOM 589 CB HIS A 38 -4.401 -1.067 -0.014 1.00 0.00 C ATOM 590 CG HIS A 38 -5.065 -0.944 -1.367 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.468 -1.982 -2.168 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.384 0.216 -2.012 1.00 0.00 C ATOM 593 CE1 HIS A 38 -6.018 -1.472 -3.275 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.012 -0.126 -3.191 1.00 0.00 N ATOM 0 H HIS A 38 -4.983 -3.151 1.260 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.900 -0.469 1.958 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.704 -0.238 0.108 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.811 -1.984 0.002 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.366 -2.974 -1.955 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.182 1.218 -1.663 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -6.405 -2.046 -4.104 1.00 0.00 H new ATOM 603 N ASN A 39 -7.701 -1.262 0.411 1.00 0.00 N ATOM 604 CA ASN A 39 -9.042 -0.781 0.071 1.00 0.00 C ATOM 605 C ASN A 39 -9.712 -0.157 1.298 1.00 0.00 C ATOM 606 O ASN A 39 -10.343 0.894 1.237 1.00 0.00 O ATOM 607 CB ASN A 39 -9.921 -1.913 -0.476 1.00 0.00 C ATOM 608 CG ASN A 39 -11.350 -1.418 -0.673 1.00 0.00 C ATOM 609 OD1 ASN A 39 -11.563 -0.394 -1.304 1.00 0.00 O ATOM 610 ND2 ASN A 39 -12.338 -2.120 -0.145 1.00 0.00 N ATOM 0 H ASN A 39 -7.592 -2.271 0.311 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.933 -0.025 -0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.518 -2.271 -1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.912 -2.757 0.214 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.303 -1.810 -0.261 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.136 -2.972 0.378 1.00 0.00 H new ATOM 617 N ASP A 40 -9.563 -0.801 2.451 1.00 0.00 N ATOM 618 CA ASP A 40 -10.034 -0.309 3.727 1.00 0.00 C ATOM 619 C ASP A 40 -9.300 0.958 4.106 1.00 0.00 C ATOM 620 O ASP A 40 -9.938 1.951 4.445 1.00 0.00 O ATOM 621 CB ASP A 40 -9.948 -1.457 4.731 1.00 0.00 C ATOM 622 CG ASP A 40 -9.517 -1.229 6.184 1.00 0.00 C ATOM 623 OD1 ASP A 40 -8.546 -0.497 6.478 1.00 0.00 O ATOM 624 OD2 ASP A 40 -10.162 -1.858 7.052 1.00 0.00 O ATOM 0 H ASP A 40 -9.097 -1.706 2.518 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.080 -0.003 3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.933 -1.922 4.764 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.262 -2.193 4.311 1.00 0.00 H new ATOM 629 N ILE A 41 -7.992 0.979 3.912 1.00 0.00 N ATOM 630 CA ILE A 41 -7.165 2.106 4.262 1.00 0.00 C ATOM 631 C ILE A 41 -7.580 3.368 3.498 1.00 0.00 C ATOM 632 O ILE A 41 -7.322 4.432 4.036 1.00 0.00 O ATOM 633 CB ILE A 41 -5.684 1.709 4.101 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.292 0.570 5.077 1.00 0.00 C ATOM 635 CG2 ILE A 41 -4.725 2.883 4.294 1.00 0.00 C ATOM 636 CD1 ILE A 41 -5.182 0.963 6.554 1.00 0.00 C ATOM 0 H ILE A 41 -7.475 0.201 3.502 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.308 2.373 5.309 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.588 1.361 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.028 -0.229 4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.335 0.158 4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.698 2.539 4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.942 3.655 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.850 3.294 5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.903 0.089 7.143 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.422 1.736 6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.142 1.343 6.902 1.00 0.00 H new ATOM 648 N LEU A 42 -8.299 3.314 2.358 1.00 0.00 N ATOM 649 CA LEU A 42 -8.810 4.531 1.720 1.00 0.00 C ATOM 650 C LEU A 42 -9.642 5.379 2.665 1.00 0.00 C ATOM 651 O LEU A 42 -9.591 6.600 2.519 1.00 0.00 O ATOM 652 CB LEU A 42 -9.675 4.283 0.472 1.00 0.00 C ATOM 653 CG LEU A 42 -8.954 3.978 -0.851 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.488 4.430 -0.879 1.00 0.00 C ATOM 655 CD2 LEU A 42 -9.014 2.484 -1.114 1.00 0.00 C ATOM 0 H LEU A 42 -8.533 2.449 1.870 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.898 5.049 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.344 3.450 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.300 5.162 0.318 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.471 4.546 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.049 4.180 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.437 5.508 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.936 3.924 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.505 2.259 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.526 1.951 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.055 2.168 -1.182 1.00 0.00 H new ATOM 667 N LEU A 43 -10.382 4.790 3.617 1.00 0.00 N ATOM 668 CA LEU A 43 -11.147 5.639 4.551 1.00 0.00 C ATOM 669 C LEU A 43 -10.468 5.669 5.913 1.00 0.00 C ATOM 670 O LEU A 43 -11.121 5.580 6.955 1.00 0.00 O ATOM 671 CB LEU A 43 -12.658 5.323 4.490 1.00 0.00 C ATOM 672 CG LEU A 43 -13.474 6.313 3.631 1.00 0.00 C ATOM 673 CD1 LEU A 43 -12.804 6.699 2.307 1.00 0.00 C ATOM 674 CD2 LEU A 43 -14.835 5.687 3.317 1.00 0.00 C ATOM 0 H LEU A 43 -10.468 3.784 3.760 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.128 6.685 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.792 4.317 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.059 5.321 5.503 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.561 7.227 4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.443 7.397 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.842 7.170 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.650 5.805 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.422 6.377 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.690 4.756 2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.365 5.482 4.247 1.00 0.00 H new ATOM 686 N ALA A 44 -9.139 5.779 5.908 1.00 0.00 N ATOM 687 CA ALA A 44 -8.360 5.884 7.136 1.00 0.00 C ATOM 688 C ALA A 44 -8.173 7.366 7.456 1.00 0.00 C ATOM 689 O ALA A 44 -7.245 8.000 6.960 1.00 0.00 O ATOM 690 CB ALA A 44 -7.027 5.147 7.006 1.00 0.00 C ATOM 0 H ALA A 44 -8.578 5.797 5.057 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.889 5.406 7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.467 5.242 7.936 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.213 4.093 6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.450 5.580 6.189 1.00 0.00 H new ATOM 696 N LYS A 45 -9.065 7.920 8.284 1.00 0.00 N ATOM 697 CA LYS A 45 -9.144 9.339 8.643 1.00 0.00 C ATOM 698 C LYS A 45 -9.642 10.165 7.464 1.00 0.00 C ATOM 699 O LYS A 45 -10.773 10.648 7.511 1.00 0.00 O ATOM 700 CB LYS A 45 -7.854 9.830 9.353 1.00 0.00 C ATOM 701 CG LYS A 45 -7.892 11.259 9.937 1.00 0.00 C ATOM 702 CD LYS A 45 -7.837 12.315 8.831 1.00 0.00 C ATOM 703 CE LYS A 45 -7.540 13.755 9.239 1.00 0.00 C ATOM 704 NZ LYS A 45 -7.396 14.614 8.041 1.00 0.00 N ATOM 0 H LYS A 45 -9.786 7.364 8.744 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.905 9.488 9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.624 9.137 10.162 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.030 9.774 8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.802 11.390 10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.052 11.398 10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.079 12.007 8.111 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.794 12.305 8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.344 14.133 9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.626 13.790 9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.296 15.606 8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.553 14.325 7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.239 14.515 7.440 1.00 0.00 H new ATOM 718 N ASP A 46 -8.850 10.336 6.421 1.00 0.00 N ATOM 719 CA ASP A 46 -9.149 11.191 5.263 1.00 0.00 C ATOM 720 C ASP A 46 -8.478 10.604 4.043 1.00 0.00 C ATOM 721 O ASP A 46 -7.534 9.838 4.183 1.00 0.00 O ATOM 722 CB ASP A 46 -8.613 12.628 5.421 1.00 0.00 C ATOM 723 CG ASP A 46 -9.699 13.692 5.370 1.00 0.00 C ATOM 724 OD1 ASP A 46 -10.514 13.684 4.417 1.00 0.00 O ATOM 725 OD2 ASP A 46 -9.695 14.593 6.241 1.00 0.00 O ATOM 0 H ASP A 46 -7.946 9.871 6.344 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.234 11.232 5.173 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.083 12.707 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.886 12.824 4.633 1.00 0.00 H new ATOM 730 N THR A 47 -8.909 11.033 2.859 1.00 0.00 N ATOM 731 CA THR A 47 -8.434 10.592 1.556 1.00 0.00 C ATOM 732 C THR A 47 -6.901 10.604 1.439 1.00 0.00 C ATOM 733 O THR A 47 -6.359 9.726 0.765 1.00 0.00 O ATOM 734 CB THR A 47 -9.069 11.514 0.493 1.00 0.00 C ATOM 735 OG1 THR A 47 -10.404 11.854 0.835 1.00 0.00 O ATOM 736 CG2 THR A 47 -9.089 10.911 -0.912 1.00 0.00 C ATOM 0 H THR A 47 -9.642 11.739 2.782 1.00 0.00 H new ATOM 0 HA THR A 47 -8.731 9.554 1.407 1.00 0.00 H new ATOM 0 HB THR A 47 -8.432 12.398 0.480 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.779 12.440 0.145 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.550 11.616 -1.604 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.068 10.702 -1.233 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.663 9.985 -0.902 1.00 0.00 H new ATOM 744 N THR A 48 -6.226 11.583 2.050 1.00 0.00 N ATOM 745 CA THR A 48 -4.782 11.764 1.988 1.00 0.00 C ATOM 746 C THR A 48 -4.077 10.715 2.853 1.00 0.00 C ATOM 747 O THR A 48 -3.436 9.811 2.315 1.00 0.00 O ATOM 748 CB THR A 48 -4.442 13.208 2.406 1.00 0.00 C ATOM 749 OG1 THR A 48 -5.162 14.118 1.596 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.952 13.530 2.275 1.00 0.00 C ATOM 0 H THR A 48 -6.690 12.292 2.618 1.00 0.00 H new ATOM 0 HA THR A 48 -4.422 11.616 0.970 1.00 0.00 H new ATOM 0 HB THR A 48 -4.718 13.302 3.456 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.946 15.036 1.864 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.774 14.560 2.583 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.377 12.856 2.910 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.642 13.403 1.238 1.00 0.00 H new ATOM 758 N GLU A 49 -4.185 10.827 4.181 1.00 0.00 N ATOM 759 CA GLU A 49 -3.441 10.022 5.154 1.00 0.00 C ATOM 760 C GLU A 49 -3.743 8.529 4.995 1.00 0.00 C ATOM 761 O GLU A 49 -2.925 7.673 5.332 1.00 0.00 O ATOM 762 CB GLU A 49 -3.774 10.471 6.587 1.00 0.00 C ATOM 763 CG GLU A 49 -3.467 11.953 6.862 1.00 0.00 C ATOM 764 CD GLU A 49 -4.677 12.879 6.718 1.00 0.00 C ATOM 765 OE1 GLU A 49 -5.420 12.793 5.718 1.00 0.00 O ATOM 766 OE2 GLU A 49 -4.907 13.674 7.654 1.00 0.00 O ATOM 0 H GLU A 49 -4.812 11.501 4.621 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.379 10.176 4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.831 10.287 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.211 9.857 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.068 12.049 7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.686 12.284 6.178 1.00 0.00 H new ATOM 773 N ALA A 50 -4.918 8.244 4.447 1.00 0.00 N ATOM 774 CA ALA A 50 -5.350 6.978 3.922 1.00 0.00 C ATOM 775 C ALA A 50 -4.394 6.451 2.873 1.00 0.00 C ATOM 776 O ALA A 50 -3.597 5.560 3.152 1.00 0.00 O ATOM 777 CB ALA A 50 -6.740 7.182 3.333 1.00 0.00 C ATOM 0 H ALA A 50 -5.642 8.957 4.357 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.372 6.234 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.103 6.240 2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.419 7.524 4.114 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.693 7.929 2.540 1.00 0.00 H new ATOM 783 N PHE A 51 -4.510 6.962 1.650 1.00 0.00 N ATOM 784 CA PHE A 51 -3.741 6.462 0.515 1.00 0.00 C ATOM 785 C PHE A 51 -2.238 6.437 0.824 1.00 0.00 C ATOM 786 O PHE A 51 -1.548 5.508 0.406 1.00 0.00 O ATOM 787 CB PHE A 51 -4.079 7.221 -0.778 1.00 0.00 C ATOM 788 CG PHE A 51 -2.868 7.859 -1.450 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.066 7.094 -2.324 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.429 9.138 -1.055 1.00 0.00 C ATOM 791 CE1 PHE A 51 -0.836 7.594 -2.785 1.00 0.00 C ATOM 792 CE2 PHE A 51 -1.181 9.624 -1.490 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.382 8.847 -2.349 1.00 0.00 C ATOM 0 H PHE A 51 -5.138 7.732 1.419 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.034 5.427 0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.552 6.533 -1.479 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.809 7.998 -0.552 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.400 6.117 -2.641 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.051 9.748 -0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.241 7.014 -3.475 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.837 10.594 -1.164 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.580 9.215 -2.672 1.00 0.00 H new ATOM 803 N GLU A 52 -1.761 7.406 1.605 1.00 0.00 N ATOM 804 CA GLU A 52 -0.414 7.465 2.149 1.00 0.00 C ATOM 805 C GLU A 52 -0.094 6.148 2.867 1.00 0.00 C ATOM 806 O GLU A 52 0.759 5.378 2.414 1.00 0.00 O ATOM 807 CB GLU A 52 -0.314 8.742 3.024 1.00 0.00 C ATOM 808 CG GLU A 52 -0.117 9.993 2.145 1.00 0.00 C ATOM 809 CD GLU A 52 1.282 10.621 2.026 1.00 0.00 C ATOM 810 OE1 GLU A 52 1.863 11.034 3.050 1.00 0.00 O ATOM 811 OE2 GLU A 52 1.759 10.753 0.869 1.00 0.00 O ATOM 0 H GLU A 52 -2.332 8.204 1.885 1.00 0.00 H new ATOM 0 HA GLU A 52 0.351 7.554 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.219 8.851 3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.519 8.647 3.721 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.449 9.740 1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.791 10.764 2.518 1.00 0.00 H new ATOM 818 N LYS A 53 -0.841 5.801 3.915 1.00 0.00 N ATOM 819 CA LYS A 53 -0.631 4.538 4.615 1.00 0.00 C ATOM 820 C LYS A 53 -0.857 3.337 3.700 1.00 0.00 C ATOM 821 O LYS A 53 -0.231 2.301 3.915 1.00 0.00 O ATOM 822 CB LYS A 53 -1.516 4.482 5.866 1.00 0.00 C ATOM 823 CG LYS A 53 -0.934 5.413 6.938 1.00 0.00 C ATOM 824 CD LYS A 53 -1.847 5.534 8.157 1.00 0.00 C ATOM 825 CE LYS A 53 -1.205 6.502 9.154 1.00 0.00 C ATOM 826 NZ LYS A 53 -2.021 6.630 10.375 1.00 0.00 N ATOM 0 H LYS A 53 -1.593 6.375 4.295 1.00 0.00 H new ATOM 0 HA LYS A 53 0.411 4.487 4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.534 4.783 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.568 3.461 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.040 5.038 7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.772 6.402 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.831 5.896 7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.993 4.557 8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.207 6.150 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.086 7.481 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.561 7.292 11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.965 6.989 10.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.114 5.699 10.830 1.00 0.00 H new ATOM 840 N MET A 54 -1.704 3.440 2.672 1.00 0.00 N ATOM 841 CA MET A 54 -2.061 2.307 1.826 1.00 0.00 C ATOM 842 C MET A 54 -0.853 1.869 0.973 1.00 0.00 C ATOM 843 O MET A 54 -0.819 0.737 0.488 1.00 0.00 O ATOM 844 CB MET A 54 -3.309 2.614 0.973 1.00 0.00 C ATOM 845 CG MET A 54 -3.010 2.824 -0.514 1.00 0.00 C ATOM 846 SD MET A 54 -4.282 3.620 -1.508 1.00 0.00 S ATOM 847 CE MET A 54 -3.504 3.469 -3.128 1.00 0.00 C ATOM 0 H MET A 54 -2.159 4.313 2.406 1.00 0.00 H new ATOM 0 HA MET A 54 -2.327 1.466 2.466 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.019 1.794 1.078 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.794 3.508 1.365 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.099 3.417 -0.594 1.00 0.00 H new ATOM 0 HG3 MET A 54 -2.797 1.851 -0.956 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.079 4.034 -3.862 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.489 3.862 -3.082 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.474 2.419 -3.421 1.00 0.00 H new ATOM 857 N VAL A 55 0.109 2.765 0.744 1.00 0.00 N ATOM 858 CA VAL A 55 1.406 2.486 0.135 1.00 0.00 C ATOM 859 C VAL A 55 2.332 1.934 1.236 1.00 0.00 C ATOM 860 O VAL A 55 3.056 0.970 0.977 1.00 0.00 O ATOM 861 CB VAL A 55 1.878 3.799 -0.548 1.00 0.00 C ATOM 862 CG1 VAL A 55 3.291 3.742 -1.135 1.00 0.00 C ATOM 863 CG2 VAL A 55 0.941 4.159 -1.718 1.00 0.00 C ATOM 0 H VAL A 55 -0.002 3.749 0.990 1.00 0.00 H new ATOM 0 HA VAL A 55 1.388 1.723 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 55 1.865 4.538 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.535 4.702 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.006 3.525 -0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.339 2.959 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.283 5.081 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.949 3.353 -2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.073 4.298 -1.343 1.00 0.00 H new ATOM 873 N SER A 56 2.245 2.446 2.469 1.00 0.00 N ATOM 874 CA SER A 56 3.115 2.071 3.575 1.00 0.00 C ATOM 875 C SER A 56 3.061 0.597 3.954 1.00 0.00 C ATOM 876 O SER A 56 4.115 -0.032 4.111 1.00 0.00 O ATOM 877 CB SER A 56 2.855 2.974 4.786 1.00 0.00 C ATOM 878 OG SER A 56 3.805 2.738 5.803 1.00 0.00 O ATOM 0 H SER A 56 1.550 3.148 2.725 1.00 0.00 H new ATOM 0 HA SER A 56 4.134 2.225 3.220 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.895 4.020 4.480 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.851 2.793 5.171 1.00 0.00 H new ATOM 0 HG SER A 56 3.621 3.326 6.565 1.00 0.00 H new ATOM 884 N LEU A 57 1.860 0.024 4.053 1.00 0.00 N ATOM 885 CA LEU A 57 1.688 -1.413 4.254 1.00 0.00 C ATOM 886 C LEU A 57 2.513 -2.190 3.250 1.00 0.00 C ATOM 887 O LEU A 57 3.234 -3.099 3.641 1.00 0.00 O ATOM 888 CB LEU A 57 0.235 -1.895 4.132 1.00 0.00 C ATOM 889 CG LEU A 57 -0.709 -1.084 3.225 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.412 -1.972 2.184 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.841 -0.493 4.069 1.00 0.00 C ATOM 0 H LEU A 57 0.983 0.542 3.996 1.00 0.00 H new ATOM 0 HA LEU A 57 2.018 -1.595 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.251 -2.922 3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.197 -1.918 5.132 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.094 -0.328 2.737 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.068 -1.359 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.665 -2.454 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.002 -2.733 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.510 0.082 3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.398 -1.299 4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.421 0.160 4.834 1.00 0.00 H new ATOM 903 N LEU A 58 2.399 -1.863 1.963 1.00 0.00 N ATOM 904 CA LEU A 58 3.086 -2.642 0.950 1.00 0.00 C ATOM 905 C LEU A 58 4.593 -2.463 0.973 1.00 0.00 C ATOM 906 O LEU A 58 5.269 -3.351 0.464 1.00 0.00 O ATOM 907 CB LEU A 58 2.514 -2.390 -0.441 1.00 0.00 C ATOM 908 CG LEU A 58 1.162 -3.052 -0.741 1.00 0.00 C ATOM 909 CD1 LEU A 58 1.098 -3.343 -2.247 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.825 -4.332 0.042 1.00 0.00 C ATOM 0 H LEU A 58 1.849 -1.081 1.609 1.00 0.00 H new ATOM 0 HA LEU A 58 2.902 -3.686 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.408 -1.314 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.238 -2.737 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 58 0.411 -2.337 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.145 -3.815 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.191 -2.410 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.913 -4.012 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.155 -4.698 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.577 -5.094 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.814 -4.113 1.110 1.00 0.00 H new ATOM 922 N SER A 59 5.128 -1.409 1.595 1.00 0.00 N ATOM 923 CA SER A 59 6.559 -1.362 1.864 1.00 0.00 C ATOM 924 C SER A 59 6.958 -2.495 2.813 1.00 0.00 C ATOM 925 O SER A 59 7.741 -3.374 2.456 1.00 0.00 O ATOM 926 CB SER A 59 6.944 0.026 2.415 1.00 0.00 C ATOM 927 OG SER A 59 8.025 0.586 1.692 1.00 0.00 O ATOM 0 H SER A 59 4.602 -0.596 1.914 1.00 0.00 H new ATOM 0 HA SER A 59 7.111 -1.511 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.083 0.693 2.360 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.214 -0.060 3.468 1.00 0.00 H new ATOM 0 HG SER A 59 8.246 1.466 2.063 1.00 0.00 H new ATOM 933 N VAL A 60 6.321 -2.551 3.976 1.00 0.00 N ATOM 934 CA VAL A 60 6.730 -3.453 5.059 1.00 0.00 C ATOM 935 C VAL A 60 6.298 -4.900 4.763 1.00 0.00 C ATOM 936 O VAL A 60 6.950 -5.870 5.144 1.00 0.00 O ATOM 937 CB VAL A 60 6.238 -2.890 6.414 1.00 0.00 C ATOM 938 CG1 VAL A 60 4.711 -2.909 6.580 1.00 0.00 C ATOM 939 CG2 VAL A 60 6.892 -3.604 7.600 1.00 0.00 C ATOM 0 H VAL A 60 5.508 -1.977 4.200 1.00 0.00 H new ATOM 0 HA VAL A 60 7.817 -3.500 5.127 1.00 0.00 H new ATOM 0 HB VAL A 60 6.547 -1.845 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.446 -2.499 7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.252 -2.307 5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.350 -3.935 6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.519 -3.178 8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.650 -4.666 7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.973 -3.477 7.550 1.00 0.00 H new ATOM 949 N LEU A 61 5.207 -5.076 4.018 1.00 0.00 N ATOM 950 CA LEU A 61 4.758 -6.367 3.533 1.00 0.00 C ATOM 951 C LEU A 61 5.721 -6.913 2.495 1.00 0.00 C ATOM 952 O LEU A 61 5.854 -8.127 2.418 1.00 0.00 O ATOM 953 CB LEU A 61 3.341 -6.187 2.987 1.00 0.00 C ATOM 954 CG LEU A 61 2.731 -7.217 2.023 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.399 -7.198 0.646 1.00 0.00 C ATOM 956 CD2 LEU A 61 2.584 -8.624 2.604 1.00 0.00 C ATOM 0 H LEU A 61 4.603 -4.305 3.733 1.00 0.00 H new ATOM 0 HA LEU A 61 4.738 -7.104 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.673 -6.118 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.313 -5.221 2.483 1.00 0.00 H new ATOM 0 HG LEU A 61 1.703 -6.886 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.931 -7.944 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.283 -6.211 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.460 -7.426 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.146 -9.283 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.565 -9.003 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.937 -8.590 3.480 1.00 0.00 H new ATOM 968 N LEU A 62 6.400 -6.082 1.697 1.00 0.00 N ATOM 969 CA LEU A 62 7.320 -6.613 0.705 1.00 0.00 C ATOM 970 C LEU A 62 8.444 -7.345 1.431 1.00 0.00 C ATOM 971 O LEU A 62 8.959 -8.326 0.902 1.00 0.00 O ATOM 972 CB LEU A 62 7.873 -5.479 -0.163 1.00 0.00 C ATOM 973 CG LEU A 62 7.746 -5.716 -1.672 1.00 0.00 C ATOM 974 CD1 LEU A 62 7.995 -4.376 -2.366 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.721 -6.764 -2.209 1.00 0.00 C ATOM 0 H LEU A 62 6.329 -5.065 1.721 1.00 0.00 H new ATOM 0 HA LEU A 62 6.802 -7.310 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.353 -4.556 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.925 -5.330 0.082 1.00 0.00 H new ATOM 0 HG LEU A 62 6.748 -6.106 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.913 -4.504 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.256 -3.649 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.994 -4.018 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.575 -6.880 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.744 -6.443 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.540 -7.718 -1.713 1.00 0.00 H new ATOM 987 N SER A 63 8.765 -6.919 2.659 1.00 0.00 N ATOM 988 CA SER A 63 9.833 -7.510 3.448 1.00 0.00 C ATOM 989 C SER A 63 9.548 -8.993 3.662 1.00 0.00 C ATOM 990 O SER A 63 10.329 -9.851 3.251 1.00 0.00 O ATOM 991 CB SER A 63 10.034 -6.756 4.769 1.00 0.00 C ATOM 992 OG SER A 63 10.140 -5.355 4.583 1.00 0.00 O ATOM 0 H SER A 63 8.284 -6.151 3.128 1.00 0.00 H new ATOM 0 HA SER A 63 10.773 -7.422 2.903 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.198 -6.969 5.436 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.935 -7.123 5.260 1.00 0.00 H new ATOM 0 HG SER A 63 10.265 -4.918 5.451 1.00 0.00 H new ATOM 998 N MET A 64 8.373 -9.296 4.214 1.00 0.00 N ATOM 999 CA MET A 64 7.923 -10.665 4.428 1.00 0.00 C ATOM 1000 C MET A 64 7.634 -11.381 3.129 1.00 0.00 C ATOM 1001 O MET A 64 7.714 -12.610 3.088 1.00 0.00 O ATOM 1002 CB MET A 64 6.660 -10.720 5.281 1.00 0.00 C ATOM 1003 CG MET A 64 5.437 -9.985 4.703 1.00 0.00 C ATOM 1004 SD MET A 64 4.035 -9.843 5.844 1.00 0.00 S ATOM 1005 CE MET A 64 4.820 -8.789 7.106 1.00 0.00 C ATOM 0 H MET A 64 7.705 -8.591 4.526 1.00 0.00 H new ATOM 0 HA MET A 64 8.744 -11.162 4.945 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.393 -11.765 5.437 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.886 -10.299 6.261 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.742 -8.985 4.396 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.107 -10.507 3.805 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.054 -8.218 7.631 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.359 -9.414 7.818 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.518 -8.104 6.625 1.00 0.00 H new ATOM 1015 N GLN A 65 7.243 -10.638 2.094 1.00 0.00 N ATOM 1016 CA GLN A 65 6.980 -11.221 0.805 1.00 0.00 C ATOM 1017 C GLN A 65 8.284 -11.832 0.265 1.00 0.00 C ATOM 1018 O GLN A 65 8.245 -12.884 -0.375 1.00 0.00 O ATOM 1019 CB GLN A 65 6.403 -10.174 -0.163 1.00 0.00 C ATOM 1020 CG GLN A 65 5.238 -10.691 -1.013 1.00 0.00 C ATOM 1021 CD GLN A 65 5.699 -11.655 -2.102 1.00 0.00 C ATOM 1022 OE1 GLN A 65 6.038 -11.218 -3.192 1.00 0.00 O ATOM 1023 NE2 GLN A 65 5.730 -12.963 -1.879 1.00 0.00 N ATOM 0 H GLN A 65 7.105 -9.628 2.137 1.00 0.00 H new ATOM 0 HA GLN A 65 6.231 -12.007 0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.067 -9.310 0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.197 -9.828 -0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.516 -11.193 -0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.723 -9.847 -1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.448 -13.332 -0.971 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.036 -13.599 -2.616 1.00 0.00 H new ATOM 1032 N GLY A 66 9.424 -11.202 0.556 1.00 0.00 N ATOM 1033 CA GLY A 66 10.727 -11.602 0.051 1.00 0.00 C ATOM 1034 C GLY A 66 11.638 -10.407 -0.216 1.00 0.00 C ATOM 1035 O GLY A 66 12.196 -10.324 -1.316 1.00 0.00 O ATOM 0 H GLY A 66 9.461 -10.383 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.205 -12.266 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.598 -12.170 -0.870 1.00 0.00 H new ATOM 1039 N ALA A 67 11.792 -9.468 0.726 1.00 0.00 N ATOM 1040 CA ALA A 67 12.668 -8.310 0.542 1.00 0.00 C ATOM 1041 C ALA A 67 13.420 -7.948 1.827 1.00 0.00 C ATOM 1042 O ALA A 67 12.962 -7.134 2.623 1.00 0.00 O ATOM 1043 CB ALA A 67 11.855 -7.135 -0.006 1.00 0.00 C ATOM 0 H ALA A 67 11.317 -9.491 1.628 1.00 0.00 H new ATOM 0 HA ALA A 67 13.437 -8.566 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.508 -6.273 -0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.415 -7.412 -0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.062 -6.881 0.698 1.00 0.00 H new ATOM 1049 N VAL A 68 14.614 -8.509 2.019 1.00 0.00 N ATOM 1050 CA VAL A 68 15.414 -8.292 3.223 1.00 0.00 C ATOM 1051 C VAL A 68 15.656 -6.798 3.520 1.00 0.00 C ATOM 1052 O VAL A 68 15.716 -6.402 4.687 1.00 0.00 O ATOM 1053 CB VAL A 68 16.710 -9.123 3.100 1.00 0.00 C ATOM 1054 CG1 VAL A 68 17.692 -8.585 2.051 1.00 0.00 C ATOM 1055 CG2 VAL A 68 17.429 -9.244 4.443 1.00 0.00 C ATOM 0 H VAL A 68 15.055 -9.130 1.340 1.00 0.00 H new ATOM 0 HA VAL A 68 14.862 -8.639 4.097 1.00 0.00 H new ATOM 0 HB VAL A 68 16.380 -10.107 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.577 -9.220 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.214 -8.584 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.983 -7.568 2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.336 -9.835 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.691 -8.250 4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.774 -9.733 5.164 1.00 0.00 H new ATOM 1065 N ASP A 69 15.753 -5.960 2.488 1.00 0.00 N ATOM 1066 CA ASP A 69 16.149 -4.555 2.511 1.00 0.00 C ATOM 1067 C ASP A 69 15.143 -3.829 1.629 1.00 0.00 C ATOM 1068 O ASP A 69 15.337 -3.717 0.423 1.00 0.00 O ATOM 1069 CB ASP A 69 17.578 -4.417 1.938 1.00 0.00 C ATOM 1070 CG ASP A 69 18.694 -4.847 2.883 1.00 0.00 C ATOM 1071 OD1 ASP A 69 18.581 -4.671 4.114 1.00 0.00 O ATOM 1072 OD2 ASP A 69 19.734 -5.353 2.386 1.00 0.00 O ATOM 0 H ASP A 69 15.540 -6.272 1.541 1.00 0.00 H new ATOM 0 HA ASP A 69 16.157 -4.141 3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.646 -5.009 1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 69 17.742 -3.377 1.656 1.00 0.00 H new ATOM 1077 N ILE A 70 14.046 -3.341 2.209 1.00 0.00 N ATOM 1078 CA ILE A 70 13.143 -2.400 1.554 1.00 0.00 C ATOM 1079 C ILE A 70 12.349 -1.562 2.567 1.00 0.00 C ATOM 1080 O ILE A 70 11.340 -0.963 2.212 1.00 0.00 O ATOM 1081 CB ILE A 70 12.259 -3.155 0.535 1.00 0.00 C ATOM 1082 CG1 ILE A 70 11.596 -2.273 -0.544 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.220 -4.034 1.231 1.00 0.00 C ATOM 1084 CD1 ILE A 70 12.618 -1.387 -1.263 1.00 0.00 C ATOM 0 H ILE A 70 13.759 -3.591 3.155 1.00 0.00 H new ATOM 0 HA ILE A 70 13.728 -1.669 0.995 1.00 0.00 H new ATOM 0 HB ILE A 70 12.961 -3.788 -0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.090 -2.908 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.833 -1.646 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.618 -4.548 0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.726 -4.769 1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.574 -3.412 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.110 -0.782 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.105 -0.733 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.366 -2.014 -1.747 1.00 0.00 H new ATOM 1096 N ASN A 71 12.786 -1.504 3.828 1.00 0.00 N ATOM 1097 CA ASN A 71 12.226 -0.570 4.793 1.00 0.00 C ATOM 1098 C ASN A 71 13.070 0.700 4.765 1.00 0.00 C ATOM 1099 O ASN A 71 12.634 1.708 4.219 1.00 0.00 O ATOM 1100 CB ASN A 71 12.134 -1.197 6.190 1.00 0.00 C ATOM 1101 CG ASN A 71 11.350 -0.299 7.141 1.00 0.00 C ATOM 1102 OD1 ASN A 71 10.158 -0.501 7.344 1.00 0.00 O ATOM 1103 ND2 ASN A 71 11.971 0.709 7.731 1.00 0.00 N ATOM 0 H ASN A 71 13.528 -2.097 4.200 1.00 0.00 H new ATOM 0 HA ASN A 71 11.200 -0.316 4.525 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.651 -2.172 6.124 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.136 -1.364 6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.458 1.326 8.361 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.963 0.869 7.556 1.00 0.00 H new ATOM 1110 N ARG A 72 14.293 0.657 5.309 1.00 0.00 N ATOM 1111 CA ARG A 72 15.086 1.852 5.665 1.00 0.00 C ATOM 1112 C ARG A 72 15.652 2.588 4.475 1.00 0.00 C ATOM 1113 O ARG A 72 15.791 3.803 4.536 1.00 0.00 O ATOM 1114 CB ARG A 72 16.277 1.424 6.521 1.00 0.00 C ATOM 1115 CG ARG A 72 15.900 1.103 7.975 1.00 0.00 C ATOM 1116 CD ARG A 72 15.916 -0.389 8.280 1.00 0.00 C ATOM 1117 NE ARG A 72 17.248 -0.968 8.072 1.00 0.00 N ATOM 1118 CZ ARG A 72 17.501 -2.214 7.665 1.00 0.00 C ATOM 1119 NH1 ARG A 72 16.558 -3.151 7.671 1.00 0.00 N ATOM 1120 NH2 ARG A 72 18.707 -2.515 7.213 1.00 0.00 N ATOM 0 H ARG A 72 14.771 -0.219 5.519 1.00 0.00 H new ATOM 0 HA ARG A 72 14.400 2.520 6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 72 16.741 0.546 6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.024 2.218 6.514 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.593 1.612 8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.906 1.500 8.183 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.604 -0.554 9.311 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.193 -0.899 7.643 1.00 0.00 H new ATOM 0 HE ARG A 72 18.051 -0.366 8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.616 -2.925 7.991 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.776 -4.096 7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 72 19.432 -1.798 7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.912 -3.464 6.899 1.00 0.00 H new ATOM 1134 N LEU A 73 16.005 1.872 3.422 1.00 0.00 N ATOM 1135 CA LEU A 73 16.416 2.433 2.144 1.00 0.00 C ATOM 1136 C LEU A 73 15.190 2.803 1.310 1.00 0.00 C ATOM 1137 O LEU A 73 15.346 3.271 0.184 1.00 0.00 O ATOM 1138 CB LEU A 73 17.302 1.431 1.379 1.00 0.00 C ATOM 1139 CG LEU A 73 16.655 0.040 1.217 1.00 0.00 C ATOM 1140 CD1 LEU A 73 17.064 -0.626 -0.095 1.00 0.00 C ATOM 1141 CD2 LEU A 73 17.056 -0.885 2.372 1.00 0.00 C ATOM 0 H LEU A 73 16.014 0.852 3.432 1.00 0.00 H new ATOM 0 HA LEU A 73 16.996 3.337 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.527 1.836 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.251 1.323 1.903 1.00 0.00 H new ATOM 0 HG LEU A 73 15.576 0.197 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 73 16.587 -1.603 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.750 -0.003 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.147 -0.748 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 73 16.588 -1.860 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.140 -1.001 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 73 16.726 -0.452 3.316 1.00 0.00 H new ATOM 1153 N CYS A 74 13.968 2.552 1.802 1.00 0.00 N ATOM 1154 CA CYS A 74 12.774 2.913 1.078 1.00 0.00 C ATOM 1155 C CYS A 74 12.303 4.237 1.659 1.00 0.00 C ATOM 1156 O CYS A 74 11.985 5.101 0.854 1.00 0.00 O ATOM 1157 CB CYS A 74 11.746 1.786 1.142 1.00 0.00 C ATOM 1158 SG CYS A 74 10.557 1.894 -0.226 1.00 0.00 S ATOM 0 H CYS A 74 13.797 2.100 2.700 1.00 0.00 H new ATOM 0 HA CYS A 74 12.953 3.049 0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 74 12.257 0.824 1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 74 11.214 1.830 2.092 1.00 0.00 H new ATOM 0 HG CYS A 74 9.407 1.429 0.161 1.00 0.00 H new ATOM 1164 N GLU A 75 12.354 4.407 2.993 1.00 0.00 N ATOM 1165 CA GLU A 75 11.951 5.545 3.832 1.00 0.00 C ATOM 1166 C GLU A 75 11.980 6.929 3.150 1.00 0.00 C ATOM 1167 O GLU A 75 11.012 7.676 3.268 1.00 0.00 O ATOM 1168 CB GLU A 75 12.737 5.493 5.162 1.00 0.00 C ATOM 1169 CG GLU A 75 12.217 4.395 6.095 1.00 0.00 C ATOM 1170 CD GLU A 75 12.675 4.565 7.548 1.00 0.00 C ATOM 1171 OE1 GLU A 75 13.769 5.127 7.780 1.00 0.00 O ATOM 1172 OE2 GLU A 75 12.047 3.990 8.468 1.00 0.00 O ATOM 0 H GLU A 75 12.724 3.657 3.576 1.00 0.00 H new ATOM 0 HA GLU A 75 10.886 5.427 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.793 5.320 4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.665 6.458 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.127 4.387 6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.553 3.426 5.727 1.00 0.00 H new ATOM 1179 N GLU A 76 12.981 7.255 2.333 1.00 0.00 N ATOM 1180 CA GLU A 76 13.023 8.451 1.483 1.00 0.00 C ATOM 1181 C GLU A 76 11.810 8.631 0.538 1.00 0.00 C ATOM 1182 O GLU A 76 11.602 9.728 0.019 1.00 0.00 O ATOM 1183 CB GLU A 76 14.308 8.398 0.646 1.00 0.00 C ATOM 1184 CG GLU A 76 15.569 8.790 1.424 1.00 0.00 C ATOM 1185 CD GLU A 76 16.804 8.445 0.596 1.00 0.00 C ATOM 1186 OE1 GLU A 76 17.064 9.154 -0.407 1.00 0.00 O ATOM 1187 OE2 GLU A 76 17.523 7.469 0.910 1.00 0.00 O ATOM 0 H GLU A 76 13.815 6.676 2.239 1.00 0.00 H new ATOM 0 HA GLU A 76 12.993 9.307 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.434 7.389 0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.200 9.062 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.554 9.857 1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.599 8.264 2.378 1.00 0.00 H new ATOM 1194 N MET A 77 10.999 7.601 0.291 1.00 0.00 N ATOM 1195 CA MET A 77 9.808 7.626 -0.560 1.00 0.00 C ATOM 1196 C MET A 77 8.529 7.677 0.274 1.00 0.00 C ATOM 1197 O MET A 77 7.454 7.796 -0.319 1.00 0.00 O ATOM 1198 CB MET A 77 9.796 6.377 -1.468 1.00 0.00 C ATOM 1199 CG MET A 77 10.287 6.629 -2.894 1.00 0.00 C ATOM 1200 SD MET A 77 8.982 6.541 -4.148 1.00 0.00 S ATOM 1201 CE MET A 77 9.976 6.028 -5.572 1.00 0.00 C ATOM 0 H MET A 77 11.163 6.681 0.699 1.00 0.00 H new ATOM 0 HA MET A 77 9.844 8.527 -1.173 1.00 0.00 H new ATOM 0 HB2 MET A 77 10.418 5.606 -1.013 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.781 5.983 -1.510 1.00 0.00 H new ATOM 0 HG2 MET A 77 10.754 7.613 -2.938 1.00 0.00 H new ATOM 0 HG3 MET A 77 11.059 5.899 -3.136 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.333 5.922 -6.446 1.00 0.00 H new ATOM 0 HE2 MET A 77 10.740 6.780 -5.772 1.00 0.00 H new ATOM 0 HE3 MET A 77 10.455 5.073 -5.356 1.00 0.00 H new ATOM 1211 N LEU A 78 8.615 7.558 1.603 1.00 0.00 N ATOM 1212 CA LEU A 78 7.493 7.454 2.510 1.00 0.00 C ATOM 1213 C LEU A 78 7.620 8.570 3.544 1.00 0.00 C ATOM 1214 O LEU A 78 6.886 9.546 3.500 1.00 0.00 O ATOM 1215 CB LEU A 78 7.458 6.077 3.200 1.00 0.00 C ATOM 1216 CG LEU A 78 7.756 4.765 2.446 1.00 0.00 C ATOM 1217 CD1 LEU A 78 6.633 4.284 1.532 1.00 0.00 C ATOM 1218 CD2 LEU A 78 9.098 4.643 1.733 1.00 0.00 C ATOM 0 H LEU A 78 9.513 7.531 2.086 1.00 0.00 H new ATOM 0 HA LEU A 78 6.561 7.555 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.162 6.126 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.463 5.970 3.632 1.00 0.00 H new ATOM 0 HG LEU A 78 7.828 4.092 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.933 3.356 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.733 4.110 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.430 5.042 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.165 3.669 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.184 5.428 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.906 4.744 2.458 1.00 0.00 H new ATOM 1230 N ASP A 79 8.602 8.481 4.431 1.00 0.00 N ATOM 1231 CA ASP A 79 8.807 9.397 5.541 1.00 0.00 C ATOM 1232 C ASP A 79 9.043 10.796 4.979 1.00 0.00 C ATOM 1233 O ASP A 79 8.366 11.750 5.342 1.00 0.00 O ATOM 1234 CB ASP A 79 9.978 8.907 6.410 1.00 0.00 C ATOM 1235 CG ASP A 79 9.688 7.546 7.061 1.00 0.00 C ATOM 1236 OD1 ASP A 79 9.580 6.527 6.339 1.00 0.00 O ATOM 1237 OD2 ASP A 79 9.510 7.492 8.300 1.00 0.00 O ATOM 0 H ASP A 79 9.303 7.741 4.394 1.00 0.00 H new ATOM 0 HA ASP A 79 7.928 9.433 6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.876 8.831 5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.184 9.643 7.187 1.00 0.00 H new ATOM 1242 N ASN A 80 9.935 10.922 3.998 1.00 0.00 N ATOM 1243 CA ASN A 80 10.212 12.195 3.324 1.00 0.00 C ATOM 1244 C ASN A 80 9.098 12.592 2.336 1.00 0.00 C ATOM 1245 O ASN A 80 9.157 13.664 1.730 1.00 0.00 O ATOM 1246 CB ASN A 80 11.548 12.047 2.594 1.00 0.00 C ATOM 1247 CG ASN A 80 12.325 13.340 2.331 1.00 0.00 C ATOM 1248 OD1 ASN A 80 13.460 13.485 2.779 1.00 0.00 O ATOM 1249 ND2 ASN A 80 11.807 14.275 1.558 1.00 0.00 N ATOM 0 H ASN A 80 10.490 10.142 3.645 1.00 0.00 H new ATOM 0 HA ASN A 80 10.255 12.992 4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.183 11.379 3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.363 11.559 1.637 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.348 15.111 1.336 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.866 14.162 1.182 1.00 0.00 H new ATOM 1256 N ARG A 81 8.087 11.747 2.100 1.00 0.00 N ATOM 1257 CA ARG A 81 6.981 12.078 1.196 1.00 0.00 C ATOM 1258 C ARG A 81 6.266 13.310 1.735 1.00 0.00 C ATOM 1259 O ARG A 81 6.035 14.257 0.978 1.00 0.00 O ATOM 1260 CB ARG A 81 5.999 10.896 1.084 1.00 0.00 C ATOM 1261 CG ARG A 81 5.032 10.988 -0.096 1.00 0.00 C ATOM 1262 CD ARG A 81 5.724 10.512 -1.374 1.00 0.00 C ATOM 1263 NE ARG A 81 4.814 10.541 -2.524 1.00 0.00 N ATOM 1264 CZ ARG A 81 4.465 11.634 -3.206 1.00 0.00 C ATOM 1265 NH1 ARG A 81 4.902 12.837 -2.838 1.00 0.00 N ATOM 1266 NH2 ARG A 81 3.680 11.505 -4.266 1.00 0.00 N ATOM 0 H ARG A 81 8.013 10.823 2.526 1.00 0.00 H new ATOM 0 HA ARG A 81 7.372 12.282 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.570 9.972 0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.422 10.830 2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.149 10.379 0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 81 4.690 12.016 -0.218 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.588 11.144 -1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.097 9.498 -1.230 1.00 0.00 H new ATOM 0 HE ARG A 81 4.415 9.653 -2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.511 12.932 -2.026 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.627 13.664 -3.369 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.353 10.581 -4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.403 12.329 -4.799 1.00 0.00 H new ATOM 1280 N ALA A 82 5.910 13.271 3.020 1.00 0.00 N ATOM 1281 CA ALA A 82 5.138 14.317 3.675 1.00 0.00 C ATOM 1282 C ALA A 82 5.387 14.383 5.185 1.00 0.00 C ATOM 1283 O ALA A 82 4.674 15.119 5.874 1.00 0.00 O ATOM 1284 CB ALA A 82 3.649 14.051 3.410 1.00 0.00 C ATOM 0 H ALA A 82 6.156 12.499 3.640 1.00 0.00 H new ATOM 0 HA ALA A 82 5.451 15.277 3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.050 14.824 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.462 14.064 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.376 13.076 3.813 1.00 0.00 H new ATOM 1290 N THR A 83 6.319 13.595 5.737 1.00 0.00 N ATOM 1291 CA THR A 83 6.289 13.182 7.147 1.00 0.00 C ATOM 1292 C THR A 83 4.878 12.742 7.576 1.00 0.00 C ATOM 1293 O THR A 83 4.375 13.147 8.626 1.00 0.00 O ATOM 1294 CB THR A 83 6.982 14.225 8.055 1.00 0.00 C ATOM 1295 OG1 THR A 83 6.528 15.558 7.846 1.00 0.00 O ATOM 1296 CG2 THR A 83 8.491 14.223 7.798 1.00 0.00 C ATOM 0 H THR A 83 7.116 13.225 5.218 1.00 0.00 H new ATOM 0 HA THR A 83 6.892 12.282 7.273 1.00 0.00 H new ATOM 0 HB THR A 83 6.734 13.930 9.075 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.737 15.547 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.971 14.960 8.442 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.896 13.234 8.015 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.683 14.473 6.754 1.00 0.00 H new ATOM 1304 N LEU A 84 4.213 11.958 6.713 1.00 0.00 N ATOM 1305 CA LEU A 84 2.887 11.414 6.963 1.00 0.00 C ATOM 1306 C LEU A 84 2.774 9.960 6.493 1.00 0.00 C ATOM 1307 O LEU A 84 2.340 9.142 7.310 1.00 0.00 O ATOM 1308 CB LEU A 84 1.812 12.330 6.349 1.00 0.00 C ATOM 1309 CG LEU A 84 0.600 12.592 7.263 1.00 0.00 C ATOM 1310 CD1 LEU A 84 -0.117 11.312 7.705 1.00 0.00 C ATOM 1311 CD2 LEU A 84 0.978 13.416 8.502 1.00 0.00 C ATOM 0 H LEU A 84 4.597 11.685 5.808 1.00 0.00 H new ATOM 0 HA LEU A 84 2.716 11.390 8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.270 13.285 6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.460 11.884 5.419 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.092 13.166 6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.960 11.570 8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.479 10.776 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.577 10.678 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.092 13.576 9.117 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.729 12.879 9.081 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.381 14.379 8.189 1.00 0.00 H new ATOM 1323 N GLN A 85 3.159 9.645 5.240 1.00 0.00 N ATOM 1324 CA GLN A 85 3.195 8.291 4.667 1.00 0.00 C ATOM 1325 C GLN A 85 3.806 7.316 5.667 1.00 0.00 C ATOM 1326 O GLN A 85 3.276 6.203 5.845 1.00 0.00 O ATOM 1327 CB GLN A 85 4.016 8.223 3.360 1.00 0.00 C ATOM 1328 CG GLN A 85 3.211 7.852 2.110 1.00 0.00 C ATOM 1329 CD GLN A 85 3.918 6.868 1.191 1.00 0.00 C ATOM 1330 OE1 GLN A 85 3.849 5.658 1.343 1.00 0.00 O ATOM 1331 NE2 GLN A 85 4.608 7.377 0.185 1.00 0.00 N ATOM 0 H GLN A 85 3.465 10.357 4.576 1.00 0.00 H new ATOM 0 HA GLN A 85 2.163 8.022 4.440 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.490 9.191 3.195 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.816 7.494 3.488 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.257 7.425 2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 85 2.988 8.761 1.551 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.662 8.388 0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 85 5.087 6.758 -0.470 1.00 0.00 H new TER 1340 GLN A 85