USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 569 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 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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0016 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.115 K(o=-0.11,f=-0.93) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 108:sc= 0.528 USER MOD Single : A 41 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.4!) USER MOD Single : A 42 ASN : amide:sc= -0.484 K(o=-0.48,f=-2.3!) USER MOD Single : A 43 ASN : amide:sc= -4.23! C(o=-4.2!,f=-9.3!) USER MOD Single : A 46 ASN : amide:sc=-0.00233 X(o=-0.0023,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 50 SER OG : rot 180:sc=0.000756 USER MOD Single : A 53 TYR OH : rot 168:sc= -1.78! USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.225 K(o=-0.23,f=-2.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -33:sc= 1.24 USER MOD Single : A 63 TYR OH : rot 15:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.262 K(o=-0.26,f=-2.7!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 4:sc= 0.686 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.963 10.247 12.633 1.00 0.00 N ATOM 2 CA GLY A 1 5.995 9.228 12.540 1.00 0.00 C ATOM 3 C GLY A 1 7.358 9.855 12.242 1.00 0.00 C ATOM 4 O GLY A 1 7.655 10.189 11.096 1.00 0.00 O ATOM 0 H1 GLY A 1 4.048 9.797 12.836 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.199 10.911 13.398 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.903 10.763 11.732 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.044 8.669 13.474 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.739 8.516 11.755 1.00 0.00 H new ATOM 8 N SER A 2 8.152 9.995 13.294 1.00 0.00 N ATOM 9 CA SER A 2 9.477 10.576 13.159 1.00 0.00 C ATOM 10 C SER A 2 10.236 9.889 12.023 1.00 0.00 C ATOM 11 O SER A 2 10.651 10.541 11.066 1.00 0.00 O ATOM 12 CB SER A 2 10.263 10.462 14.467 1.00 0.00 C ATOM 13 OG SER A 2 11.242 11.490 14.592 1.00 0.00 O ATOM 0 H SER A 2 7.903 9.716 14.243 1.00 0.00 H new ATOM 0 HA SER A 2 9.365 11.634 12.924 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.574 10.513 15.310 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.751 9.489 14.513 1.00 0.00 H new ATOM 0 HG SER A 2 11.721 11.384 15.440 1.00 0.00 H new ATOM 19 N SER A 3 10.395 8.581 12.165 1.00 0.00 N ATOM 20 CA SER A 3 11.097 7.799 11.162 1.00 0.00 C ATOM 21 C SER A 3 10.705 6.325 11.279 1.00 0.00 C ATOM 22 O SER A 3 10.373 5.852 12.365 1.00 0.00 O ATOM 23 CB SER A 3 12.612 7.958 11.300 1.00 0.00 C ATOM 24 OG SER A 3 13.323 7.067 10.445 1.00 0.00 O ATOM 0 H SER A 3 10.049 8.043 12.960 1.00 0.00 H new ATOM 0 HA SER A 3 10.809 8.168 10.178 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.891 8.985 11.066 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.903 7.777 12.335 1.00 0.00 H new ATOM 0 HG SER A 3 14.287 7.201 10.562 1.00 0.00 H new ATOM 30 N GLY A 4 10.756 5.640 10.146 1.00 0.00 N ATOM 31 CA GLY A 4 10.411 4.229 10.108 1.00 0.00 C ATOM 32 C GLY A 4 11.627 3.358 10.430 1.00 0.00 C ATOM 33 O GLY A 4 12.249 3.517 11.479 1.00 0.00 O ATOM 0 H GLY A 4 11.031 6.036 9.247 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.614 4.026 10.824 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.026 3.972 9.121 1.00 0.00 H new ATOM 37 N SER A 5 11.929 2.455 9.508 1.00 0.00 N ATOM 38 CA SER A 5 13.059 1.559 9.681 1.00 0.00 C ATOM 39 C SER A 5 14.034 1.714 8.512 1.00 0.00 C ATOM 40 O SER A 5 15.217 1.981 8.716 1.00 0.00 O ATOM 41 CB SER A 5 12.597 0.105 9.797 1.00 0.00 C ATOM 42 OG SER A 5 13.608 -0.735 10.347 1.00 0.00 O ATOM 0 H SER A 5 11.411 2.325 8.639 1.00 0.00 H new ATOM 0 HA SER A 5 13.567 1.825 10.608 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.706 0.057 10.423 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.315 -0.265 8.811 1.00 0.00 H new ATOM 0 HG SER A 5 13.273 -1.654 10.406 1.00 0.00 H new ATOM 48 N SER A 6 13.500 1.541 7.311 1.00 0.00 N ATOM 49 CA SER A 6 14.308 1.658 6.109 1.00 0.00 C ATOM 50 C SER A 6 15.406 0.592 6.110 1.00 0.00 C ATOM 51 O SER A 6 15.889 0.194 7.170 1.00 0.00 O ATOM 52 CB SER A 6 14.924 3.054 5.994 1.00 0.00 C ATOM 53 OG SER A 6 14.040 3.976 5.361 1.00 0.00 O ATOM 0 H SER A 6 12.518 1.321 7.145 1.00 0.00 H new ATOM 0 HA SER A 6 13.661 1.503 5.246 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.180 3.421 6.988 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.853 2.995 5.427 1.00 0.00 H new ATOM 0 HG SER A 6 14.468 4.856 5.308 1.00 0.00 H new ATOM 59 N GLY A 7 15.768 0.161 4.911 1.00 0.00 N ATOM 60 CA GLY A 7 16.800 -0.851 4.761 1.00 0.00 C ATOM 61 C GLY A 7 16.636 -1.610 3.442 1.00 0.00 C ATOM 62 O GLY A 7 16.676 -1.012 2.368 1.00 0.00 O ATOM 0 H GLY A 7 15.366 0.494 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.783 -0.381 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.753 -1.550 5.596 1.00 0.00 H new ATOM 66 N LYS A 8 16.454 -2.916 3.567 1.00 0.00 N ATOM 67 CA LYS A 8 16.283 -3.763 2.399 1.00 0.00 C ATOM 68 C LYS A 8 14.905 -4.426 2.452 1.00 0.00 C ATOM 69 O LYS A 8 14.285 -4.494 3.512 1.00 0.00 O ATOM 70 CB LYS A 8 17.440 -4.757 2.284 1.00 0.00 C ATOM 71 CG LYS A 8 17.820 -4.990 0.820 1.00 0.00 C ATOM 72 CD LYS A 8 19.331 -5.180 0.669 1.00 0.00 C ATOM 73 CE LYS A 8 19.763 -4.998 -0.787 1.00 0.00 C ATOM 74 NZ LYS A 8 21.144 -4.469 -0.855 1.00 0.00 N ATOM 0 H LYS A 8 16.421 -3.409 4.460 1.00 0.00 H new ATOM 0 HA LYS A 8 16.315 -3.166 1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.304 -4.380 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.158 -5.704 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.300 -5.870 0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.494 -4.143 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.856 -4.463 1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.612 -6.175 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.706 -5.952 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.080 -4.315 -1.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.422 -4.351 -1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.187 -3.549 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.794 -5.135 -0.390 1.00 0.00 H new ATOM 88 N VAL A 9 14.466 -4.899 1.295 1.00 0.00 N ATOM 89 CA VAL A 9 13.174 -5.555 1.196 1.00 0.00 C ATOM 90 C VAL A 9 13.067 -6.261 -0.157 1.00 0.00 C ATOM 91 O VAL A 9 13.523 -5.737 -1.172 1.00 0.00 O ATOM 92 CB VAL A 9 12.053 -4.540 1.431 1.00 0.00 C ATOM 93 CG1 VAL A 9 11.908 -3.596 0.235 1.00 0.00 C ATOM 94 CG2 VAL A 9 10.730 -5.245 1.737 1.00 0.00 C ATOM 0 H VAL A 9 14.983 -4.841 0.418 1.00 0.00 H new ATOM 0 HA VAL A 9 13.072 -6.317 1.969 1.00 0.00 H new ATOM 0 HB VAL A 9 12.321 -3.940 2.300 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.105 -2.885 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 9 12.842 -3.055 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.674 -4.174 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.950 -4.501 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.454 -5.882 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.842 -5.855 2.633 1.00 0.00 H new ATOM 104 N SER A 10 12.461 -7.439 -0.128 1.00 0.00 N ATOM 105 CA SER A 10 12.288 -8.222 -1.339 1.00 0.00 C ATOM 106 C SER A 10 10.809 -8.264 -1.729 1.00 0.00 C ATOM 107 O SER A 10 9.942 -7.922 -0.926 1.00 0.00 O ATOM 108 CB SER A 10 12.830 -9.642 -1.159 1.00 0.00 C ATOM 109 OG SER A 10 13.113 -9.936 0.206 1.00 0.00 O ATOM 0 H SER A 10 12.084 -7.870 0.716 1.00 0.00 H new ATOM 0 HA SER A 10 12.854 -7.744 -2.139 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.103 -10.359 -1.541 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.737 -9.762 -1.751 1.00 0.00 H new ATOM 0 HG SER A 10 13.455 -10.851 0.279 1.00 0.00 H new ATOM 115 N PRO A 11 10.560 -8.698 -2.994 1.00 0.00 N ATOM 116 CA PRO A 11 9.201 -8.788 -3.500 1.00 0.00 C ATOM 117 C PRO A 11 8.474 -9.997 -2.905 1.00 0.00 C ATOM 118 O PRO A 11 9.109 -10.969 -2.498 1.00 0.00 O ATOM 119 CB PRO A 11 9.348 -8.868 -5.010 1.00 0.00 C ATOM 120 CG PRO A 11 10.787 -9.286 -5.268 1.00 0.00 C ATOM 121 CD PRO A 11 11.562 -9.111 -3.972 1.00 0.00 C ATOM 0 HA PRO A 11 8.589 -7.931 -3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.650 -9.591 -5.432 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.131 -7.906 -5.475 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.830 -10.323 -5.601 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.225 -8.678 -6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.048 -10.040 -3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.345 -8.361 -4.077 1.00 0.00 H new ATOM 129 N PRO A 12 7.119 -9.894 -2.874 1.00 0.00 N ATOM 130 CA PRO A 12 6.299 -10.966 -2.336 1.00 0.00 C ATOM 131 C PRO A 12 6.221 -12.140 -3.314 1.00 0.00 C ATOM 132 O PRO A 12 6.681 -12.037 -4.451 1.00 0.00 O ATOM 133 CB PRO A 12 4.946 -10.329 -2.065 1.00 0.00 C ATOM 134 CG PRO A 12 4.914 -9.051 -2.887 1.00 0.00 C ATOM 135 CD PRO A 12 6.333 -8.758 -3.347 1.00 0.00 C ATOM 0 HA PRO A 12 6.713 -11.394 -1.423 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.135 -10.998 -2.352 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.821 -10.114 -1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.250 -9.165 -3.744 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.527 -8.224 -2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.386 -8.664 -4.432 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.700 -7.821 -2.928 1.00 0.00 H new ATOM 143 N GLU A 13 5.637 -13.229 -2.836 1.00 0.00 N ATOM 144 CA GLU A 13 5.494 -14.421 -3.654 1.00 0.00 C ATOM 145 C GLU A 13 4.196 -14.358 -4.462 1.00 0.00 C ATOM 146 O GLU A 13 4.222 -14.404 -5.691 1.00 0.00 O ATOM 147 CB GLU A 13 5.543 -15.686 -2.794 1.00 0.00 C ATOM 148 CG GLU A 13 6.831 -16.472 -3.050 1.00 0.00 C ATOM 149 CD GLU A 13 6.827 -17.795 -2.280 1.00 0.00 C ATOM 150 OE1 GLU A 13 6.028 -18.675 -2.668 1.00 0.00 O ATOM 151 OE2 GLU A 13 7.623 -17.896 -1.322 1.00 0.00 O ATOM 0 H GLU A 13 5.257 -13.311 -1.893 1.00 0.00 H new ATOM 0 HA GLU A 13 6.331 -14.462 -4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.481 -15.416 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.680 -16.314 -3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.936 -16.668 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.692 -15.875 -2.750 1.00 0.00 H new ATOM 158 N ASP A 14 3.091 -14.254 -3.738 1.00 0.00 N ATOM 159 CA ASP A 14 1.785 -14.184 -4.372 1.00 0.00 C ATOM 160 C ASP A 14 1.800 -13.091 -5.442 1.00 0.00 C ATOM 161 O ASP A 14 1.860 -11.905 -5.122 1.00 0.00 O ATOM 162 CB ASP A 14 0.697 -13.835 -3.354 1.00 0.00 C ATOM 163 CG ASP A 14 -0.319 -14.947 -3.086 1.00 0.00 C ATOM 164 OD1 ASP A 14 0.073 -15.923 -2.412 1.00 0.00 O ATOM 165 OD2 ASP A 14 -1.465 -14.795 -3.562 1.00 0.00 O ATOM 0 H ASP A 14 3.073 -14.217 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 14 1.570 -15.159 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.175 -13.566 -2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.163 -12.952 -3.704 1.00 0.00 H new ATOM 170 N GLU A 15 1.745 -13.530 -6.691 1.00 0.00 N ATOM 171 CA GLU A 15 1.751 -12.603 -7.810 1.00 0.00 C ATOM 172 C GLU A 15 0.567 -11.640 -7.709 1.00 0.00 C ATOM 173 O GLU A 15 0.734 -10.429 -7.848 1.00 0.00 O ATOM 174 CB GLU A 15 1.735 -13.354 -9.143 1.00 0.00 C ATOM 175 CG GLU A 15 2.576 -12.626 -10.193 1.00 0.00 C ATOM 176 CD GLU A 15 2.583 -13.391 -11.518 1.00 0.00 C ATOM 177 OE1 GLU A 15 3.477 -14.252 -11.671 1.00 0.00 O ATOM 178 OE2 GLU A 15 1.695 -13.099 -12.347 1.00 0.00 O ATOM 0 H GLU A 15 1.696 -14.515 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 15 2.671 -12.020 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.120 -14.364 -9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.709 -13.451 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.179 -11.623 -10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.597 -12.511 -9.830 1.00 0.00 H new ATOM 185 N GLU A 16 -0.603 -12.213 -7.467 1.00 0.00 N ATOM 186 CA GLU A 16 -1.814 -11.420 -7.346 1.00 0.00 C ATOM 187 C GLU A 16 -1.576 -10.225 -6.420 1.00 0.00 C ATOM 188 O GLU A 16 -2.221 -9.188 -6.561 1.00 0.00 O ATOM 189 CB GLU A 16 -2.981 -12.275 -6.847 1.00 0.00 C ATOM 190 CG GLU A 16 -3.615 -13.061 -7.997 1.00 0.00 C ATOM 191 CD GLU A 16 -4.753 -13.950 -7.491 1.00 0.00 C ATOM 192 OE1 GLU A 16 -4.443 -15.092 -7.085 1.00 0.00 O ATOM 193 OE2 GLU A 16 -5.906 -13.469 -7.522 1.00 0.00 O ATOM 0 H GLU A 16 -0.738 -13.217 -7.351 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.078 -11.043 -8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.629 -12.965 -6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.731 -11.636 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.996 -12.369 -8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.857 -13.675 -8.484 1.00 0.00 H new ATOM 200 N ALA A 17 -0.646 -10.411 -5.494 1.00 0.00 N ATOM 201 CA ALA A 17 -0.315 -9.361 -4.546 1.00 0.00 C ATOM 202 C ALA A 17 0.558 -8.311 -5.238 1.00 0.00 C ATOM 203 O ALA A 17 0.205 -7.134 -5.278 1.00 0.00 O ATOM 204 CB ALA A 17 0.371 -9.975 -3.324 1.00 0.00 C ATOM 0 H ALA A 17 -0.112 -11.273 -5.380 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.218 -8.861 -4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.620 -9.188 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.300 -10.692 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.283 -10.483 -3.636 1.00 0.00 H new ATOM 210 N LYS A 18 1.680 -8.777 -5.767 1.00 0.00 N ATOM 211 CA LYS A 18 2.605 -7.893 -6.456 1.00 0.00 C ATOM 212 C LYS A 18 1.815 -6.894 -7.303 1.00 0.00 C ATOM 213 O LYS A 18 2.263 -5.770 -7.523 1.00 0.00 O ATOM 214 CB LYS A 18 3.627 -8.704 -7.255 1.00 0.00 C ATOM 215 CG LYS A 18 5.053 -8.244 -6.949 1.00 0.00 C ATOM 216 CD LYS A 18 6.074 -9.298 -7.381 1.00 0.00 C ATOM 217 CE LYS A 18 6.552 -9.045 -8.812 1.00 0.00 C ATOM 218 NZ LYS A 18 6.168 -10.170 -9.694 1.00 0.00 N ATOM 0 H LYS A 18 1.969 -9.755 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 18 3.184 -7.313 -5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.523 -9.762 -7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.428 -8.597 -8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.254 -7.305 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.155 -8.050 -5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.926 -9.284 -6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.628 -10.290 -7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.120 -8.117 -9.187 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.635 -8.920 -8.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.500 -9.982 -10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.601 -11.049 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.133 -10.271 -9.697 1.00 0.00 H new ATOM 232 N ASN A 19 0.652 -7.340 -7.756 1.00 0.00 N ATOM 233 CA ASN A 19 -0.205 -6.499 -8.574 1.00 0.00 C ATOM 234 C ASN A 19 -1.116 -5.670 -7.666 1.00 0.00 C ATOM 235 O ASN A 19 -1.178 -4.448 -7.792 1.00 0.00 O ATOM 236 CB ASN A 19 -1.093 -7.343 -9.490 1.00 0.00 C ATOM 237 CG ASN A 19 -1.124 -6.767 -10.907 1.00 0.00 C ATOM 238 OD1 ASN A 19 -0.876 -5.594 -11.133 1.00 0.00 O ATOM 239 ND2 ASN A 19 -1.441 -7.655 -11.845 1.00 0.00 N ATOM 0 H ASN A 19 0.283 -8.273 -7.572 1.00 0.00 H new ATOM 0 HA ASN A 19 0.433 -5.857 -9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.722 -8.368 -9.518 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.105 -7.381 -9.087 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.488 -7.369 -12.823 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.637 -8.622 -11.586 1.00 0.00 H new ATOM 246 N LEU A 20 -1.800 -6.368 -6.771 1.00 0.00 N ATOM 247 CA LEU A 20 -2.704 -5.712 -5.842 1.00 0.00 C ATOM 248 C LEU A 20 -1.957 -4.595 -5.112 1.00 0.00 C ATOM 249 O LEU A 20 -2.400 -3.447 -5.107 1.00 0.00 O ATOM 250 CB LEU A 20 -3.346 -6.737 -4.905 1.00 0.00 C ATOM 251 CG LEU A 20 -4.584 -7.457 -5.445 1.00 0.00 C ATOM 252 CD1 LEU A 20 -5.262 -8.280 -4.347 1.00 0.00 C ATOM 253 CD2 LEU A 20 -5.551 -6.469 -6.100 1.00 0.00 C ATOM 0 H LEU A 20 -1.746 -7.382 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.529 -5.245 -6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.597 -7.486 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.619 -6.232 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.263 -8.154 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.139 -8.781 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.563 -9.025 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.568 -7.621 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.422 -7.007 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.870 -5.730 -5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.051 -5.965 -6.927 1.00 0.00 H new ATOM 265 N ALA A 21 -0.835 -4.969 -4.514 1.00 0.00 N ATOM 266 CA ALA A 21 -0.022 -4.013 -3.783 1.00 0.00 C ATOM 267 C ALA A 21 0.199 -2.771 -4.648 1.00 0.00 C ATOM 268 O ALA A 21 -0.174 -1.665 -4.259 1.00 0.00 O ATOM 269 CB ALA A 21 1.293 -4.674 -3.366 1.00 0.00 C ATOM 0 H ALA A 21 -0.470 -5.922 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.530 -3.695 -2.873 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.903 -3.956 -2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.082 -5.533 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.832 -5.004 -4.254 1.00 0.00 H new ATOM 275 N GLU A 22 0.804 -2.995 -5.805 1.00 0.00 N ATOM 276 CA GLU A 22 1.079 -1.907 -6.728 1.00 0.00 C ATOM 277 C GLU A 22 -0.212 -1.158 -7.066 1.00 0.00 C ATOM 278 O GLU A 22 -0.303 0.052 -6.864 1.00 0.00 O ATOM 279 CB GLU A 22 1.761 -2.424 -7.997 1.00 0.00 C ATOM 280 CG GLU A 22 3.042 -1.640 -8.289 1.00 0.00 C ATOM 281 CD GLU A 22 2.940 -0.901 -9.625 1.00 0.00 C ATOM 282 OE1 GLU A 22 1.797 -0.559 -9.998 1.00 0.00 O ATOM 283 OE2 GLU A 22 4.007 -0.694 -10.242 1.00 0.00 O ATOM 0 H GLU A 22 1.111 -3.914 -6.124 1.00 0.00 H new ATOM 0 HA GLU A 22 1.764 -1.211 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.996 -3.482 -7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.078 -2.339 -8.842 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.226 -0.925 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.893 -2.321 -8.310 1.00 0.00 H new ATOM 290 N LYS A 23 -1.177 -1.909 -7.575 1.00 0.00 N ATOM 291 CA LYS A 23 -2.459 -1.331 -7.943 1.00 0.00 C ATOM 292 C LYS A 23 -2.983 -0.482 -6.783 1.00 0.00 C ATOM 293 O LYS A 23 -3.145 0.729 -6.920 1.00 0.00 O ATOM 294 CB LYS A 23 -3.430 -2.425 -8.392 1.00 0.00 C ATOM 295 CG LYS A 23 -3.539 -2.469 -9.918 1.00 0.00 C ATOM 296 CD LYS A 23 -4.954 -2.852 -10.356 1.00 0.00 C ATOM 297 CE LYS A 23 -5.029 -4.334 -10.729 1.00 0.00 C ATOM 298 NZ LYS A 23 -5.636 -4.501 -12.069 1.00 0.00 N ATOM 0 H LYS A 23 -1.098 -2.912 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.346 -0.666 -8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.091 -3.392 -8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.414 -2.244 -7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.277 -1.496 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.824 -3.189 -10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.658 -2.640 -9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.252 -2.243 -11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.029 -4.769 -10.719 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.618 -4.873 -9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.679 -5.513 -12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.597 -4.104 -12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.058 -4.004 -12.776 1.00 0.00 H new ATOM 312 N LEU A 24 -3.232 -1.152 -5.667 1.00 0.00 N ATOM 313 CA LEU A 24 -3.734 -0.474 -4.484 1.00 0.00 C ATOM 314 C LEU A 24 -2.890 0.774 -4.220 1.00 0.00 C ATOM 315 O LEU A 24 -3.417 1.812 -3.822 1.00 0.00 O ATOM 316 CB LEU A 24 -3.793 -1.439 -3.298 1.00 0.00 C ATOM 317 CG LEU A 24 -5.020 -1.314 -2.392 1.00 0.00 C ATOM 318 CD1 LEU A 24 -4.911 -0.085 -1.488 1.00 0.00 C ATOM 319 CD2 LEU A 24 -6.310 -1.309 -3.215 1.00 0.00 C ATOM 0 H LEU A 24 -3.095 -2.157 -5.557 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.759 -0.138 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.752 -2.458 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.900 -1.291 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.056 -2.188 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.796 -0.020 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.022 -0.171 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.837 0.813 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.167 -1.219 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.298 -0.466 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.385 -2.239 -3.779 1.00 0.00 H new ATOM 331 N ALA A 25 -1.593 0.633 -4.453 1.00 0.00 N ATOM 332 CA ALA A 25 -0.671 1.736 -4.245 1.00 0.00 C ATOM 333 C ALA A 25 -0.943 2.825 -5.284 1.00 0.00 C ATOM 334 O ALA A 25 -1.432 3.902 -4.947 1.00 0.00 O ATOM 335 CB ALA A 25 0.768 1.217 -4.306 1.00 0.00 C ATOM 0 H ALA A 25 -1.159 -0.229 -4.784 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.817 2.178 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.460 2.044 -4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.918 0.467 -3.529 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.952 0.769 -5.283 1.00 0.00 H new ATOM 341 N ARG A 26 -0.613 2.507 -6.528 1.00 0.00 N ATOM 342 CA ARG A 26 -0.816 3.445 -7.619 1.00 0.00 C ATOM 343 C ARG A 26 -2.230 4.027 -7.563 1.00 0.00 C ATOM 344 O ARG A 26 -2.457 5.159 -7.988 1.00 0.00 O ATOM 345 CB ARG A 26 -0.603 2.768 -8.974 1.00 0.00 C ATOM 346 CG ARG A 26 -1.919 2.217 -9.524 1.00 0.00 C ATOM 347 CD ARG A 26 -2.721 3.314 -10.229 1.00 0.00 C ATOM 348 NE ARG A 26 -3.207 2.823 -11.538 1.00 0.00 N ATOM 349 CZ ARG A 26 -3.579 3.621 -12.548 1.00 0.00 C ATOM 350 NH1 ARG A 26 -3.524 4.953 -12.406 1.00 0.00 N ATOM 351 NH2 ARG A 26 -4.007 3.088 -13.701 1.00 0.00 N ATOM 0 H ARG A 26 -0.207 1.613 -6.804 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.086 4.246 -7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.181 3.484 -9.680 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.119 1.958 -8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.714 1.406 -10.222 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.509 1.796 -8.710 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.565 3.615 -9.608 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.098 4.197 -10.371 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.262 1.814 -11.680 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.199 5.359 -11.529 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.807 5.560 -13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.050 2.075 -13.810 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.290 3.696 -14.470 1.00 0.00 H new ATOM 365 N PHE A 27 -3.144 3.225 -7.036 1.00 0.00 N ATOM 366 CA PHE A 27 -4.530 3.646 -6.920 1.00 0.00 C ATOM 367 C PHE A 27 -4.688 4.722 -5.844 1.00 0.00 C ATOM 368 O PHE A 27 -5.050 5.858 -6.146 1.00 0.00 O ATOM 369 CB PHE A 27 -5.339 2.413 -6.513 1.00 0.00 C ATOM 370 CG PHE A 27 -6.759 2.729 -6.038 1.00 0.00 C ATOM 371 CD1 PHE A 27 -7.629 3.364 -6.868 1.00 0.00 C ATOM 372 CD2 PHE A 27 -7.151 2.375 -4.785 1.00 0.00 C ATOM 373 CE1 PHE A 27 -8.946 3.658 -6.427 1.00 0.00 C ATOM 374 CE2 PHE A 27 -8.468 2.668 -4.343 1.00 0.00 C ATOM 375 CZ PHE A 27 -9.338 3.303 -5.174 1.00 0.00 C ATOM 0 H PHE A 27 -2.952 2.287 -6.685 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.872 4.064 -7.867 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.394 1.731 -7.362 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.809 1.890 -5.717 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.318 3.645 -7.863 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.460 1.871 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.636 4.163 -7.086 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.779 2.387 -3.348 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.340 3.525 -4.839 1.00 0.00 H new ATOM 385 N ILE A 28 -4.408 4.327 -4.611 1.00 0.00 N ATOM 386 CA ILE A 28 -4.514 5.243 -3.489 1.00 0.00 C ATOM 387 C ILE A 28 -3.677 6.491 -3.774 1.00 0.00 C ATOM 388 O ILE A 28 -4.123 7.612 -3.531 1.00 0.00 O ATOM 389 CB ILE A 28 -4.141 4.538 -2.183 1.00 0.00 C ATOM 390 CG1 ILE A 28 -5.244 3.570 -1.749 1.00 0.00 C ATOM 391 CG2 ILE A 28 -3.805 5.552 -1.088 1.00 0.00 C ATOM 392 CD1 ILE A 28 -4.767 2.673 -0.605 1.00 0.00 C ATOM 0 H ILE A 28 -4.108 3.384 -4.364 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.546 5.572 -3.363 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.243 3.946 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.123 4.132 -1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.547 2.955 -2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.544 5.024 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.962 6.165 -1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.670 6.190 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.570 1.995 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.903 2.094 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.488 3.290 0.249 1.00 0.00 H new ATOM 404 N ALA A 29 -2.477 6.256 -4.286 1.00 0.00 N ATOM 405 CA ALA A 29 -1.573 7.347 -4.607 1.00 0.00 C ATOM 406 C ALA A 29 -2.236 8.267 -5.635 1.00 0.00 C ATOM 407 O ALA A 29 -1.851 9.427 -5.773 1.00 0.00 O ATOM 408 CB ALA A 29 -0.243 6.779 -5.105 1.00 0.00 C ATOM 0 H ALA A 29 -2.110 5.326 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.360 7.943 -3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.435 7.598 -5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.201 6.157 -4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.416 6.177 -5.997 1.00 0.00 H new ATOM 414 N ASP A 30 -3.220 7.714 -6.328 1.00 0.00 N ATOM 415 CA ASP A 30 -3.939 8.470 -7.339 1.00 0.00 C ATOM 416 C ASP A 30 -5.033 9.303 -6.666 1.00 0.00 C ATOM 417 O ASP A 30 -5.606 10.198 -7.284 1.00 0.00 O ATOM 418 CB ASP A 30 -4.610 7.539 -8.351 1.00 0.00 C ATOM 419 CG ASP A 30 -4.839 8.146 -9.736 1.00 0.00 C ATOM 420 OD1 ASP A 30 -4.434 9.314 -9.918 1.00 0.00 O ATOM 421 OD2 ASP A 30 -5.415 7.428 -10.582 1.00 0.00 O ATOM 0 H ASP A 30 -3.536 6.752 -6.209 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.221 9.107 -7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.998 6.644 -8.460 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.571 7.220 -7.947 1.00 0.00 H new ATOM 426 N GLY A 31 -5.289 8.977 -5.407 1.00 0.00 N ATOM 427 CA GLY A 31 -6.303 9.683 -4.643 1.00 0.00 C ATOM 428 C GLY A 31 -5.666 10.548 -3.554 1.00 0.00 C ATOM 429 O GLY A 31 -4.877 11.444 -3.850 1.00 0.00 O ATOM 0 H GLY A 31 -4.812 8.233 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.895 10.310 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.987 8.966 -4.189 1.00 0.00 H new ATOM 433 N GLY A 32 -6.032 10.250 -2.316 1.00 0.00 N ATOM 434 CA GLY A 32 -5.506 10.989 -1.181 1.00 0.00 C ATOM 435 C GLY A 32 -6.030 10.415 0.137 1.00 0.00 C ATOM 436 O GLY A 32 -6.089 9.199 0.309 1.00 0.00 O ATOM 0 H GLY A 32 -6.687 9.506 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.417 10.951 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.789 12.038 -1.263 1.00 0.00 H new ATOM 440 N PRO A 33 -6.406 11.343 1.058 1.00 0.00 N ATOM 441 CA PRO A 33 -6.923 10.942 2.355 1.00 0.00 C ATOM 442 C PRO A 33 -8.358 10.425 2.238 1.00 0.00 C ATOM 443 O PRO A 33 -8.952 10.002 3.229 1.00 0.00 O ATOM 444 CB PRO A 33 -6.808 12.183 3.225 1.00 0.00 C ATOM 445 CG PRO A 33 -6.668 13.353 2.265 1.00 0.00 C ATOM 446 CD PRO A 33 -6.350 12.792 0.889 1.00 0.00 C ATOM 0 HA PRO A 33 -6.366 10.113 2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.688 12.300 3.857 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.946 12.117 3.888 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.589 13.935 2.236 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.876 14.025 2.595 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.071 13.132 0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.366 13.113 0.548 1.00 0.00 H new ATOM 454 N GLU A 34 -8.874 10.477 1.019 1.00 0.00 N ATOM 455 CA GLU A 34 -10.228 10.019 0.759 1.00 0.00 C ATOM 456 C GLU A 34 -10.214 8.569 0.272 1.00 0.00 C ATOM 457 O GLU A 34 -10.991 7.742 0.747 1.00 0.00 O ATOM 458 CB GLU A 34 -10.931 10.930 -0.250 1.00 0.00 C ATOM 459 CG GLU A 34 -12.302 11.367 0.269 1.00 0.00 C ATOM 460 CD GLU A 34 -12.352 12.882 0.478 1.00 0.00 C ATOM 461 OE1 GLU A 34 -11.977 13.599 -0.476 1.00 0.00 O ATOM 462 OE2 GLU A 34 -12.763 13.289 1.586 1.00 0.00 O ATOM 0 H GLU A 34 -8.379 10.830 0.200 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.791 10.063 1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.315 11.808 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.047 10.406 -1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.075 11.068 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.518 10.859 1.209 1.00 0.00 H new ATOM 469 N VAL A 35 -9.322 8.304 -0.671 1.00 0.00 N ATOM 470 CA VAL A 35 -9.196 6.968 -1.228 1.00 0.00 C ATOM 471 C VAL A 35 -8.707 6.010 -0.140 1.00 0.00 C ATOM 472 O VAL A 35 -9.186 4.881 -0.041 1.00 0.00 O ATOM 473 CB VAL A 35 -8.282 6.996 -2.455 1.00 0.00 C ATOM 474 CG1 VAL A 35 -6.811 7.053 -2.041 1.00 0.00 C ATOM 475 CG2 VAL A 35 -8.550 5.796 -3.366 1.00 0.00 C ATOM 0 H VAL A 35 -8.679 8.992 -1.064 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.165 6.604 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.506 7.901 -3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.183 7.072 -2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.633 7.953 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.567 6.175 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.887 5.840 -4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.367 4.873 -2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.587 5.819 -3.702 1.00 0.00 H new ATOM 485 N GLU A 36 -7.759 6.495 0.648 1.00 0.00 N ATOM 486 CA GLU A 36 -7.200 5.696 1.725 1.00 0.00 C ATOM 487 C GLU A 36 -8.301 5.272 2.699 1.00 0.00 C ATOM 488 O GLU A 36 -8.096 4.385 3.525 1.00 0.00 O ATOM 489 CB GLU A 36 -6.089 6.457 2.452 1.00 0.00 C ATOM 490 CG GLU A 36 -6.623 7.132 3.717 1.00 0.00 C ATOM 491 CD GLU A 36 -5.515 7.901 4.438 1.00 0.00 C ATOM 492 OE1 GLU A 36 -4.572 7.230 4.909 1.00 0.00 O ATOM 493 OE2 GLU A 36 -5.635 9.144 4.501 1.00 0.00 O ATOM 0 H GLU A 36 -7.364 7.431 0.562 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.759 4.798 1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.284 5.770 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.663 7.208 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.433 7.813 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.043 6.380 4.385 1.00 0.00 H new ATOM 500 N THR A 37 -9.446 5.926 2.568 1.00 0.00 N ATOM 501 CA THR A 37 -10.580 5.628 3.426 1.00 0.00 C ATOM 502 C THR A 37 -11.484 4.581 2.771 1.00 0.00 C ATOM 503 O THR A 37 -11.634 3.475 3.289 1.00 0.00 O ATOM 504 CB THR A 37 -11.299 6.943 3.734 1.00 0.00 C ATOM 505 OG1 THR A 37 -10.336 7.704 4.457 1.00 0.00 O ATOM 506 CG2 THR A 37 -12.451 6.763 4.725 1.00 0.00 C ATOM 0 H THR A 37 -9.613 6.661 1.881 1.00 0.00 H new ATOM 0 HA THR A 37 -10.257 5.189 4.370 1.00 0.00 H new ATOM 0 HB THR A 37 -11.681 7.373 2.808 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.999 8.429 3.890 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.927 7.726 4.909 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.183 6.070 4.310 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.065 6.364 5.663 1.00 0.00 H new ATOM 514 N ILE A 38 -12.061 4.966 1.643 1.00 0.00 N ATOM 515 CA ILE A 38 -12.945 4.075 0.912 1.00 0.00 C ATOM 516 C ILE A 38 -12.172 2.820 0.502 1.00 0.00 C ATOM 517 O ILE A 38 -12.698 1.710 0.577 1.00 0.00 O ATOM 518 CB ILE A 38 -13.594 4.808 -0.263 1.00 0.00 C ATOM 519 CG1 ILE A 38 -14.549 5.898 0.230 1.00 0.00 C ATOM 520 CG2 ILE A 38 -14.286 3.825 -1.209 1.00 0.00 C ATOM 521 CD1 ILE A 38 -13.854 7.261 0.265 1.00 0.00 C ATOM 0 H ILE A 38 -11.933 5.884 1.217 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.768 3.750 1.548 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.807 5.303 -0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.420 5.946 -0.424 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.912 5.645 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.739 4.373 -2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.553 3.119 -1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -15.060 3.282 -0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.554 8.018 0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.998 7.216 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.514 7.522 -0.737 1.00 0.00 H new ATOM 533 N ALA A 39 -10.936 3.037 0.078 1.00 0.00 N ATOM 534 CA ALA A 39 -10.085 1.938 -0.344 1.00 0.00 C ATOM 535 C ALA A 39 -9.856 0.993 0.838 1.00 0.00 C ATOM 536 O ALA A 39 -10.023 -0.219 0.710 1.00 0.00 O ATOM 537 CB ALA A 39 -8.776 2.492 -0.909 1.00 0.00 C ATOM 0 H ALA A 39 -10.503 3.959 0.018 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.565 1.365 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.138 1.667 -1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.991 3.133 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.265 3.072 -0.141 1.00 0.00 H new ATOM 543 N LEU A 40 -9.477 1.584 1.962 1.00 0.00 N ATOM 544 CA LEU A 40 -9.223 0.811 3.165 1.00 0.00 C ATOM 545 C LEU A 40 -10.536 0.200 3.660 1.00 0.00 C ATOM 546 O LEU A 40 -10.660 -1.020 3.757 1.00 0.00 O ATOM 547 CB LEU A 40 -8.510 1.668 4.213 1.00 0.00 C ATOM 548 CG LEU A 40 -7.050 2.015 3.915 1.00 0.00 C ATOM 549 CD1 LEU A 40 -6.465 2.910 5.009 1.00 0.00 C ATOM 550 CD2 LEU A 40 -6.218 0.748 3.705 1.00 0.00 C ATOM 0 H LEU A 40 -9.340 2.590 2.064 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.547 -0.016 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.066 2.598 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.551 1.146 5.169 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.016 2.581 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.426 3.142 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.039 3.835 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.512 2.392 5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.184 1.022 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.255 0.135 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.621 0.183 2.865 1.00 0.00 H new ATOM 562 N GLN A 41 -11.483 1.077 3.961 1.00 0.00 N ATOM 563 CA GLN A 41 -12.782 0.640 4.444 1.00 0.00 C ATOM 564 C GLN A 41 -13.323 -0.488 3.563 1.00 0.00 C ATOM 565 O GLN A 41 -14.149 -1.284 4.006 1.00 0.00 O ATOM 566 CB GLN A 41 -13.766 1.809 4.504 1.00 0.00 C ATOM 567 CG GLN A 41 -14.736 1.650 5.676 1.00 0.00 C ATOM 568 CD GLN A 41 -16.068 2.346 5.385 1.00 0.00 C ATOM 569 OE1 GLN A 41 -16.521 2.427 4.255 1.00 0.00 O ATOM 570 NE2 GLN A 41 -16.666 2.841 6.464 1.00 0.00 N ATOM 0 H GLN A 41 -11.376 2.088 3.880 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.662 0.257 5.458 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.218 2.746 4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.325 1.867 3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.909 0.591 5.868 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -14.292 2.069 6.579 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -16.231 2.738 7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -17.560 3.324 6.375 1.00 0.00 H new ATOM 579 N ASN A 42 -12.836 -0.519 2.331 1.00 0.00 N ATOM 580 CA ASN A 42 -13.261 -1.536 1.384 1.00 0.00 C ATOM 581 C ASN A 42 -12.407 -2.791 1.573 1.00 0.00 C ATOM 582 O ASN A 42 -12.938 -3.890 1.724 1.00 0.00 O ATOM 583 CB ASN A 42 -13.082 -1.055 -0.058 1.00 0.00 C ATOM 584 CG ASN A 42 -14.369 -0.419 -0.587 1.00 0.00 C ATOM 585 OD1 ASN A 42 -15.464 -0.696 -0.126 1.00 0.00 O ATOM 586 ND2 ASN A 42 -14.177 0.446 -1.579 1.00 0.00 N ATOM 0 H ASN A 42 -12.151 0.144 1.967 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.315 -1.747 1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.268 -0.331 -0.105 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.799 -1.895 -0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.974 0.923 -2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.233 0.632 -1.918 1.00 0.00 H new ATOM 593 N ASN A 43 -11.098 -2.586 1.558 1.00 0.00 N ATOM 594 CA ASN A 43 -10.166 -3.687 1.726 1.00 0.00 C ATOM 595 C ASN A 43 -10.558 -4.498 2.962 1.00 0.00 C ATOM 596 O ASN A 43 -10.353 -5.710 3.005 1.00 0.00 O ATOM 597 CB ASN A 43 -8.739 -3.175 1.930 1.00 0.00 C ATOM 598 CG ASN A 43 -8.329 -2.227 0.801 1.00 0.00 C ATOM 599 OD1 ASN A 43 -7.829 -1.136 1.023 1.00 0.00 O ATOM 600 ND2 ASN A 43 -8.569 -2.702 -0.417 1.00 0.00 N ATOM 0 H ASN A 43 -10.661 -1.673 1.432 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.204 -4.300 0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.668 -2.658 2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.049 -4.018 1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.332 -2.145 -1.238 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.990 -3.624 -0.531 1.00 0.00 H new ATOM 607 N ARG A 44 -11.117 -3.797 3.938 1.00 0.00 N ATOM 608 CA ARG A 44 -11.540 -4.437 5.172 1.00 0.00 C ATOM 609 C ARG A 44 -12.351 -5.698 4.865 1.00 0.00 C ATOM 610 O ARG A 44 -12.095 -6.758 5.433 1.00 0.00 O ATOM 611 CB ARG A 44 -12.388 -3.488 6.021 1.00 0.00 C ATOM 612 CG ARG A 44 -11.508 -2.647 6.948 1.00 0.00 C ATOM 613 CD ARG A 44 -12.361 -1.814 7.907 1.00 0.00 C ATOM 614 NE ARG A 44 -11.742 -0.486 8.112 1.00 0.00 N ATOM 615 CZ ARG A 44 -12.182 0.421 8.995 1.00 0.00 C ATOM 616 NH1 ARG A 44 -13.247 0.147 9.761 1.00 0.00 N ATOM 617 NH2 ARG A 44 -11.557 1.600 9.113 1.00 0.00 N ATOM 0 H ARG A 44 -11.287 -2.792 3.899 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.644 -4.705 5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.968 -2.833 5.371 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.101 -4.062 6.613 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.846 -3.299 7.518 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.874 -1.989 6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.367 -1.697 7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.458 -2.330 8.862 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.929 -0.245 7.545 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.722 -0.751 9.672 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.583 0.837 10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.746 1.808 8.531 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.892 2.290 9.785 1.00 0.00 H new ATOM 631 N GLU A 45 -13.312 -5.541 3.967 1.00 0.00 N ATOM 632 CA GLU A 45 -14.161 -6.654 3.577 1.00 0.00 C ATOM 633 C GLU A 45 -13.337 -7.727 2.864 1.00 0.00 C ATOM 634 O GLU A 45 -13.351 -8.891 3.260 1.00 0.00 O ATOM 635 CB GLU A 45 -15.320 -6.178 2.698 1.00 0.00 C ATOM 636 CG GLU A 45 -16.468 -5.634 3.551 1.00 0.00 C ATOM 637 CD GLU A 45 -17.495 -4.902 2.685 1.00 0.00 C ATOM 638 OE1 GLU A 45 -18.144 -5.591 1.869 1.00 0.00 O ATOM 639 OE2 GLU A 45 -17.608 -3.669 2.859 1.00 0.00 O ATOM 0 H GLU A 45 -13.522 -4.660 3.498 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.588 -7.092 4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.970 -5.403 2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.678 -7.004 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.952 -6.454 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.074 -4.955 4.307 1.00 0.00 H new ATOM 646 N ASN A 46 -12.637 -7.296 1.824 1.00 0.00 N ATOM 647 CA ASN A 46 -11.808 -8.206 1.052 1.00 0.00 C ATOM 648 C ASN A 46 -10.724 -8.795 1.958 1.00 0.00 C ATOM 649 O ASN A 46 -10.150 -8.089 2.785 1.00 0.00 O ATOM 650 CB ASN A 46 -11.115 -7.476 -0.100 1.00 0.00 C ATOM 651 CG ASN A 46 -12.115 -7.113 -1.200 1.00 0.00 C ATOM 652 OD1 ASN A 46 -12.677 -7.964 -1.869 1.00 0.00 O ATOM 653 ND2 ASN A 46 -12.305 -5.805 -1.348 1.00 0.00 N ATOM 0 H ASN A 46 -12.627 -6.329 1.499 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.451 -8.988 0.649 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.636 -6.571 0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.327 -8.106 -0.513 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.954 -5.461 -2.056 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.802 -5.146 -0.754 1.00 0.00 H new ATOM 660 N GLN A 47 -10.478 -10.083 1.770 1.00 0.00 N ATOM 661 CA GLN A 47 -9.474 -10.775 2.560 1.00 0.00 C ATOM 662 C GLN A 47 -8.122 -10.745 1.845 1.00 0.00 C ATOM 663 O GLN A 47 -7.088 -10.525 2.473 1.00 0.00 O ATOM 664 CB GLN A 47 -9.905 -12.213 2.857 1.00 0.00 C ATOM 665 CG GLN A 47 -10.687 -12.291 4.170 1.00 0.00 C ATOM 666 CD GLN A 47 -10.879 -13.745 4.608 1.00 0.00 C ATOM 667 OE1 GLN A 47 -10.852 -14.669 3.812 1.00 0.00 O ATOM 668 NE2 GLN A 47 -11.073 -13.894 5.915 1.00 0.00 N ATOM 0 H GLN A 47 -10.956 -10.665 1.083 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.370 -10.257 3.513 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.521 -12.588 2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.026 -12.855 2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.156 -11.740 4.947 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.659 -11.813 4.048 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.084 -13.077 6.525 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.211 -14.825 6.307 1.00 0.00 H new ATOM 677 N ALA A 48 -8.174 -10.969 0.540 1.00 0.00 N ATOM 678 CA ALA A 48 -6.966 -10.970 -0.268 1.00 0.00 C ATOM 679 C ALA A 48 -6.088 -9.783 0.134 1.00 0.00 C ATOM 680 O ALA A 48 -4.875 -9.926 0.281 1.00 0.00 O ATOM 681 CB ALA A 48 -7.343 -10.941 -1.750 1.00 0.00 C ATOM 0 H ALA A 48 -9.034 -11.151 0.022 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.390 -11.879 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.437 -10.942 -2.356 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.941 -11.820 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.920 -10.041 -1.961 1.00 0.00 H new ATOM 687 N PHE A 49 -6.735 -8.639 0.300 1.00 0.00 N ATOM 688 CA PHE A 49 -6.028 -7.428 0.681 1.00 0.00 C ATOM 689 C PHE A 49 -5.570 -7.497 2.140 1.00 0.00 C ATOM 690 O PHE A 49 -5.942 -6.651 2.952 1.00 0.00 O ATOM 691 CB PHE A 49 -7.011 -6.267 0.523 1.00 0.00 C ATOM 692 CG PHE A 49 -7.124 -5.738 -0.909 1.00 0.00 C ATOM 693 CD1 PHE A 49 -6.033 -5.212 -1.527 1.00 0.00 C ATOM 694 CD2 PHE A 49 -8.315 -5.793 -1.563 1.00 0.00 C ATOM 695 CE1 PHE A 49 -6.137 -4.721 -2.855 1.00 0.00 C ATOM 696 CE2 PHE A 49 -8.419 -5.303 -2.891 1.00 0.00 C ATOM 697 CZ PHE A 49 -7.328 -4.777 -3.509 1.00 0.00 C ATOM 0 H PHE A 49 -7.741 -8.525 0.178 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.144 -7.301 0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.996 -6.590 0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.703 -5.452 1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.087 -5.168 -1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.182 -6.210 -1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.270 -4.303 -3.346 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -9.365 -5.348 -3.411 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.407 -4.404 -4.519 1.00 0.00 H new ATOM 707 N SER A 50 -4.770 -8.513 2.428 1.00 0.00 N ATOM 708 CA SER A 50 -4.257 -8.704 3.774 1.00 0.00 C ATOM 709 C SER A 50 -2.865 -8.082 3.897 1.00 0.00 C ATOM 710 O SER A 50 -2.411 -7.780 5.000 1.00 0.00 O ATOM 711 CB SER A 50 -4.209 -10.189 4.140 1.00 0.00 C ATOM 712 OG SER A 50 -3.596 -10.971 3.119 1.00 0.00 O ATOM 0 H SER A 50 -4.464 -9.213 1.752 1.00 0.00 H new ATOM 0 HA SER A 50 -4.933 -8.208 4.471 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.659 -10.315 5.073 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.222 -10.552 4.316 1.00 0.00 H new ATOM 0 HG SER A 50 -3.583 -11.912 3.391 1.00 0.00 H new ATOM 718 N PHE A 51 -2.225 -7.909 2.749 1.00 0.00 N ATOM 719 CA PHE A 51 -0.894 -7.329 2.715 1.00 0.00 C ATOM 720 C PHE A 51 -0.922 -5.865 3.159 1.00 0.00 C ATOM 721 O PHE A 51 0.123 -5.272 3.423 1.00 0.00 O ATOM 722 CB PHE A 51 -0.413 -7.400 1.264 1.00 0.00 C ATOM 723 CG PHE A 51 -1.162 -6.464 0.313 1.00 0.00 C ATOM 724 CD1 PHE A 51 -0.822 -5.149 0.245 1.00 0.00 C ATOM 725 CD2 PHE A 51 -2.168 -6.948 -0.464 1.00 0.00 C ATOM 726 CE1 PHE A 51 -1.518 -4.281 -0.638 1.00 0.00 C ATOM 727 CE2 PHE A 51 -2.863 -6.080 -1.347 1.00 0.00 C ATOM 728 CZ PHE A 51 -2.523 -4.765 -1.415 1.00 0.00 C ATOM 0 H PHE A 51 -2.604 -8.161 1.836 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.234 -7.873 3.390 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.650 -7.159 1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.518 -8.424 0.907 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.023 -4.765 0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.438 -7.992 -0.409 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.249 -3.236 -0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.661 -6.464 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.052 -4.105 -2.087 1.00 0.00 H new ATOM 738 N LEU A 52 -2.130 -5.324 3.227 1.00 0.00 N ATOM 739 CA LEU A 52 -2.308 -3.940 3.635 1.00 0.00 C ATOM 740 C LEU A 52 -2.140 -3.835 5.152 1.00 0.00 C ATOM 741 O LEU A 52 -1.523 -2.893 5.647 1.00 0.00 O ATOM 742 CB LEU A 52 -3.646 -3.400 3.125 1.00 0.00 C ATOM 743 CG LEU A 52 -3.687 -2.994 1.650 1.00 0.00 C ATOM 744 CD1 LEU A 52 -5.125 -2.745 1.191 1.00 0.00 C ATOM 745 CD2 LEU A 52 -2.783 -1.788 1.388 1.00 0.00 C ATOM 0 H LEU A 52 -2.994 -5.819 3.007 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.543 -3.308 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.410 -4.159 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.919 -2.534 3.728 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.298 -3.821 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.127 -2.458 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.711 -3.655 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.563 -1.944 1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.831 -1.520 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.118 -0.944 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.756 -2.039 1.653 1.00 0.00 H new ATOM 757 N TYR A 53 -2.700 -4.814 5.847 1.00 0.00 N ATOM 758 CA TYR A 53 -2.619 -4.843 7.297 1.00 0.00 C ATOM 759 C TYR A 53 -1.355 -5.568 7.762 1.00 0.00 C ATOM 760 O TYR A 53 -0.496 -4.972 8.410 1.00 0.00 O ATOM 761 CB TYR A 53 -3.845 -5.626 7.772 1.00 0.00 C ATOM 762 CG TYR A 53 -5.101 -5.384 6.933 1.00 0.00 C ATOM 763 CD1 TYR A 53 -5.579 -4.100 6.759 1.00 0.00 C ATOM 764 CD2 TYR A 53 -5.757 -6.449 6.349 1.00 0.00 C ATOM 765 CE1 TYR A 53 -6.761 -3.873 5.969 1.00 0.00 C ATOM 766 CE2 TYR A 53 -6.939 -6.221 5.559 1.00 0.00 C ATOM 767 CZ TYR A 53 -7.383 -4.944 5.408 1.00 0.00 C ATOM 768 OH TYR A 53 -8.500 -4.729 4.662 1.00 0.00 O ATOM 0 H TYR A 53 -3.212 -5.593 5.433 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.587 -3.831 7.699 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.611 -6.691 7.759 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.055 -5.359 8.808 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.066 -3.266 7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.384 -7.453 6.485 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.145 -2.874 5.825 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.461 -7.045 5.097 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.730 -5.547 4.175 1.00 0.00 H new ATOM 778 N ASP A 54 -1.281 -6.844 7.413 1.00 0.00 N ATOM 779 CA ASP A 54 -0.135 -7.657 7.787 1.00 0.00 C ATOM 780 C ASP A 54 1.151 -6.936 7.378 1.00 0.00 C ATOM 781 O ASP A 54 1.452 -6.821 6.191 1.00 0.00 O ATOM 782 CB ASP A 54 -0.165 -9.011 7.075 1.00 0.00 C ATOM 783 CG ASP A 54 -1.247 -9.975 7.565 1.00 0.00 C ATOM 784 OD1 ASP A 54 -1.921 -9.617 8.555 1.00 0.00 O ATOM 785 OD2 ASP A 54 -1.376 -11.049 6.939 1.00 0.00 O ATOM 0 H ASP A 54 -1.995 -7.335 6.876 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.171 -7.815 8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.308 -8.840 6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.807 -9.489 7.194 1.00 0.00 H new ATOM 790 N PRO A 55 1.895 -6.457 8.411 1.00 0.00 N ATOM 791 CA PRO A 55 3.141 -5.751 8.171 1.00 0.00 C ATOM 792 C PRO A 55 4.255 -6.723 7.775 1.00 0.00 C ATOM 793 O PRO A 55 4.953 -6.503 6.786 1.00 0.00 O ATOM 794 CB PRO A 55 3.431 -5.013 9.468 1.00 0.00 C ATOM 795 CG PRO A 55 2.591 -5.698 10.534 1.00 0.00 C ATOM 796 CD PRO A 55 1.569 -6.575 9.829 1.00 0.00 C ATOM 0 HA PRO A 55 3.075 -5.053 7.337 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.491 -5.061 9.716 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.171 -3.958 9.384 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.222 -6.298 11.190 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.092 -4.959 11.161 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.635 -7.610 10.166 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.552 -6.239 10.031 1.00 0.00 H new ATOM 804 N ASN A 56 4.386 -7.777 8.567 1.00 0.00 N ATOM 805 CA ASN A 56 5.402 -8.783 8.311 1.00 0.00 C ATOM 806 C ASN A 56 5.282 -9.268 6.865 1.00 0.00 C ATOM 807 O ASN A 56 6.253 -9.751 6.285 1.00 0.00 O ATOM 808 CB ASN A 56 5.224 -9.993 9.231 1.00 0.00 C ATOM 809 CG ASN A 56 5.666 -9.666 10.658 1.00 0.00 C ATOM 810 OD1 ASN A 56 6.822 -9.802 11.024 1.00 0.00 O ATOM 811 ND2 ASN A 56 4.685 -9.228 11.442 1.00 0.00 N ATOM 0 H ASN A 56 3.805 -7.956 9.386 1.00 0.00 H new ATOM 0 HA ASN A 56 6.377 -8.331 8.494 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.179 -10.303 9.232 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.805 -10.833 8.850 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.879 -8.983 12.413 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.739 -9.137 11.072 1.00 0.00 H new ATOM 818 N SER A 57 4.081 -9.121 6.323 1.00 0.00 N ATOM 819 CA SER A 57 3.821 -9.538 4.956 1.00 0.00 C ATOM 820 C SER A 57 4.536 -8.602 3.979 1.00 0.00 C ATOM 821 O SER A 57 4.160 -7.440 3.839 1.00 0.00 O ATOM 822 CB SER A 57 2.319 -9.562 4.664 1.00 0.00 C ATOM 823 OG SER A 57 2.043 -9.948 3.320 1.00 0.00 O ATOM 0 H SER A 57 3.278 -8.719 6.806 1.00 0.00 H new ATOM 0 HA SER A 57 4.205 -10.550 4.828 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.828 -10.254 5.348 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.897 -8.575 4.852 1.00 0.00 H new ATOM 0 HG SER A 57 1.074 -9.953 3.173 1.00 0.00 H new ATOM 829 N GLN A 58 5.555 -9.145 3.329 1.00 0.00 N ATOM 830 CA GLN A 58 6.327 -8.374 2.369 1.00 0.00 C ATOM 831 C GLN A 58 5.393 -7.576 1.456 1.00 0.00 C ATOM 832 O GLN A 58 5.766 -6.517 0.953 1.00 0.00 O ATOM 833 CB GLN A 58 7.250 -9.280 1.552 1.00 0.00 C ATOM 834 CG GLN A 58 8.642 -9.355 2.182 1.00 0.00 C ATOM 835 CD GLN A 58 9.125 -10.804 2.271 1.00 0.00 C ATOM 836 OE1 GLN A 58 8.551 -11.714 1.697 1.00 0.00 O ATOM 837 NE2 GLN A 58 10.211 -10.967 3.022 1.00 0.00 N ATOM 0 H GLN A 58 5.864 -10.110 3.448 1.00 0.00 H new ATOM 0 HA GLN A 58 6.955 -7.672 2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.821 -10.280 1.489 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.328 -8.902 0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.345 -8.769 1.590 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.619 -8.914 3.178 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.643 -10.162 3.475 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.612 -11.897 3.144 1.00 0.00 H new ATOM 846 N GLY A 59 4.197 -8.115 1.270 1.00 0.00 N ATOM 847 CA GLY A 59 3.208 -7.467 0.426 1.00 0.00 C ATOM 848 C GLY A 59 2.957 -6.028 0.882 1.00 0.00 C ATOM 849 O GLY A 59 2.551 -5.182 0.086 1.00 0.00 O ATOM 0 H GLY A 59 3.891 -8.993 1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.550 -7.470 -0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.275 -8.030 0.455 1.00 0.00 H new ATOM 853 N TYR A 60 3.208 -5.794 2.161 1.00 0.00 N ATOM 854 CA TYR A 60 3.015 -4.472 2.733 1.00 0.00 C ATOM 855 C TYR A 60 4.193 -3.554 2.402 1.00 0.00 C ATOM 856 O TYR A 60 4.022 -2.533 1.738 1.00 0.00 O ATOM 857 CB TYR A 60 2.949 -4.673 4.248 1.00 0.00 C ATOM 858 CG TYR A 60 2.818 -3.372 5.043 1.00 0.00 C ATOM 859 CD1 TYR A 60 1.613 -2.701 5.073 1.00 0.00 C ATOM 860 CD2 TYR A 60 3.905 -2.871 5.730 1.00 0.00 C ATOM 861 CE1 TYR A 60 1.489 -1.476 5.822 1.00 0.00 C ATOM 862 CE2 TYR A 60 3.781 -1.646 6.478 1.00 0.00 C ATOM 863 CZ TYR A 60 2.580 -1.010 6.487 1.00 0.00 C ATOM 864 OH TYR A 60 2.463 0.146 7.194 1.00 0.00 O ATOM 0 H TYR A 60 3.544 -6.498 2.818 1.00 0.00 H new ATOM 0 HA TYR A 60 2.113 -4.009 2.334 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.101 -5.317 4.482 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.847 -5.197 4.574 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.763 -3.094 4.535 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.848 -3.397 5.707 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.552 -0.941 5.854 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.624 -1.242 7.020 1.00 0.00 H new ATOM 0 HH TYR A 60 3.320 0.358 7.619 1.00 0.00 H new ATOM 874 N ARG A 61 5.363 -3.950 2.881 1.00 0.00 N ATOM 875 CA ARG A 61 6.570 -3.176 2.645 1.00 0.00 C ATOM 876 C ARG A 61 6.671 -2.788 1.168 1.00 0.00 C ATOM 877 O ARG A 61 6.836 -1.613 0.842 1.00 0.00 O ATOM 878 CB ARG A 61 7.818 -3.966 3.044 1.00 0.00 C ATOM 879 CG ARG A 61 7.950 -4.050 4.566 1.00 0.00 C ATOM 880 CD ARG A 61 9.334 -4.565 4.968 1.00 0.00 C ATOM 881 NE ARG A 61 9.433 -4.650 6.442 1.00 0.00 N ATOM 882 CZ ARG A 61 10.590 -4.689 7.116 1.00 0.00 C ATOM 883 NH1 ARG A 61 11.754 -4.650 6.453 1.00 0.00 N ATOM 884 NH2 ARG A 61 10.585 -4.766 8.454 1.00 0.00 N ATOM 0 H ARG A 61 5.501 -4.797 3.432 1.00 0.00 H new ATOM 0 HA ARG A 61 6.512 -2.276 3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.767 -4.970 2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.704 -3.490 2.624 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.783 -3.066 5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.181 -4.712 4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.509 -5.546 4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.106 -3.899 4.581 1.00 0.00 H new ATOM 0 HE ARG A 61 8.566 -4.681 6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.759 -4.591 5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.635 -4.680 6.967 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.700 -4.795 8.960 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.466 -4.796 8.966 1.00 0.00 H new ATOM 898 N TYR A 62 6.567 -3.797 0.316 1.00 0.00 N ATOM 899 CA TYR A 62 6.645 -3.575 -1.118 1.00 0.00 C ATOM 900 C TYR A 62 5.570 -2.590 -1.580 1.00 0.00 C ATOM 901 O TYR A 62 5.821 -1.750 -2.443 1.00 0.00 O ATOM 902 CB TYR A 62 6.387 -4.935 -1.769 1.00 0.00 C ATOM 903 CG TYR A 62 5.937 -4.851 -3.229 1.00 0.00 C ATOM 904 CD1 TYR A 62 4.646 -4.469 -3.533 1.00 0.00 C ATOM 905 CD2 TYR A 62 6.822 -5.157 -4.243 1.00 0.00 C ATOM 906 CE1 TYR A 62 4.223 -4.389 -4.907 1.00 0.00 C ATOM 907 CE2 TYR A 62 6.399 -5.078 -5.617 1.00 0.00 C ATOM 908 CZ TYR A 62 5.120 -4.698 -5.881 1.00 0.00 C ATOM 909 OH TYR A 62 4.720 -4.623 -7.179 1.00 0.00 O ATOM 0 H TYR A 62 6.429 -4.770 0.591 1.00 0.00 H new ATOM 0 HA TYR A 62 7.615 -3.158 -1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.298 -5.531 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.626 -5.463 -1.195 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.953 -4.230 -2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.832 -5.456 -4.006 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.216 -4.090 -5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.082 -5.315 -6.420 1.00 0.00 H new ATOM 0 HH TYR A 62 3.772 -4.863 -7.244 1.00 0.00 H new ATOM 919 N TYR A 63 4.394 -2.725 -0.985 1.00 0.00 N ATOM 920 CA TYR A 63 3.279 -1.857 -1.324 1.00 0.00 C ATOM 921 C TYR A 63 3.524 -0.430 -0.827 1.00 0.00 C ATOM 922 O TYR A 63 3.240 0.535 -1.535 1.00 0.00 O ATOM 923 CB TYR A 63 2.060 -2.434 -0.602 1.00 0.00 C ATOM 924 CG TYR A 63 0.990 -1.395 -0.259 1.00 0.00 C ATOM 925 CD1 TYR A 63 1.096 -0.652 0.899 1.00 0.00 C ATOM 926 CD2 TYR A 63 -0.080 -1.201 -1.109 1.00 0.00 C ATOM 927 CE1 TYR A 63 0.089 0.326 1.221 1.00 0.00 C ATOM 928 CE2 TYR A 63 -1.087 -0.223 -0.786 1.00 0.00 C ATOM 929 CZ TYR A 63 -0.953 0.492 0.363 1.00 0.00 C ATOM 930 OH TYR A 63 -1.904 1.415 0.667 1.00 0.00 O ATOM 0 H TYR A 63 4.189 -3.423 -0.270 1.00 0.00 H new ATOM 0 HA TYR A 63 3.142 -1.813 -2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.613 -3.208 -1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.390 -2.917 0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.934 -0.804 1.564 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.162 -1.782 -2.016 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.160 0.915 2.124 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.930 -0.061 -1.442 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.570 2.008 1.372 1.00 0.00 H new ATOM 940 N ARG A 64 4.048 -0.343 0.387 1.00 0.00 N ATOM 941 CA ARG A 64 4.334 0.949 0.987 1.00 0.00 C ATOM 942 C ARG A 64 5.330 1.726 0.125 1.00 0.00 C ATOM 943 O ARG A 64 5.206 2.940 -0.033 1.00 0.00 O ATOM 944 CB ARG A 64 4.907 0.787 2.397 1.00 0.00 C ATOM 945 CG ARG A 64 3.845 1.083 3.458 1.00 0.00 C ATOM 946 CD ARG A 64 3.920 2.540 3.917 1.00 0.00 C ATOM 947 NE ARG A 64 5.101 2.737 4.787 1.00 0.00 N ATOM 948 CZ ARG A 64 5.461 3.917 5.310 1.00 0.00 C ATOM 949 NH1 ARG A 64 4.734 5.013 5.054 1.00 0.00 N ATOM 950 NH2 ARG A 64 6.548 4.001 6.089 1.00 0.00 N ATOM 0 H ARG A 64 4.282 -1.146 0.971 1.00 0.00 H new ATOM 0 HA ARG A 64 3.396 1.500 1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.282 -0.228 2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.755 1.459 2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.854 0.876 3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.985 0.421 4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.982 3.200 3.052 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.012 2.807 4.457 1.00 0.00 H new ATOM 0 HE ARG A 64 5.677 1.923 5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.907 4.949 4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.008 5.911 5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.101 3.167 6.284 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.822 4.899 6.487 1.00 0.00 H new ATOM 964 N GLN A 65 6.297 0.995 -0.411 1.00 0.00 N ATOM 965 CA GLN A 65 7.314 1.600 -1.253 1.00 0.00 C ATOM 966 C GLN A 65 6.666 2.295 -2.453 1.00 0.00 C ATOM 967 O GLN A 65 6.760 3.513 -2.595 1.00 0.00 O ATOM 968 CB GLN A 65 8.338 0.559 -1.710 1.00 0.00 C ATOM 969 CG GLN A 65 9.701 1.206 -1.966 1.00 0.00 C ATOM 970 CD GLN A 65 10.301 0.718 -3.286 1.00 0.00 C ATOM 971 OE1 GLN A 65 9.633 0.131 -4.121 1.00 0.00 O ATOM 972 NE2 GLN A 65 11.594 0.992 -3.426 1.00 0.00 N ATOM 0 H GLN A 65 6.397 -0.011 -0.278 1.00 0.00 H new ATOM 0 HA GLN A 65 7.844 2.350 -0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.437 -0.217 -0.951 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.986 0.072 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.594 2.290 -1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.379 0.971 -1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.093 1.487 -2.687 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.087 0.707 -4.272 1.00 0.00 H new ATOM 981 N LYS A 66 6.022 1.490 -3.285 1.00 0.00 N ATOM 982 CA LYS A 66 5.358 2.012 -4.467 1.00 0.00 C ATOM 983 C LYS A 66 4.543 3.249 -4.085 1.00 0.00 C ATOM 984 O LYS A 66 4.588 4.265 -4.778 1.00 0.00 O ATOM 985 CB LYS A 66 4.532 0.917 -5.146 1.00 0.00 C ATOM 986 CG LYS A 66 5.426 -0.234 -5.613 1.00 0.00 C ATOM 987 CD LYS A 66 6.406 0.236 -6.690 1.00 0.00 C ATOM 988 CE LYS A 66 6.947 -0.949 -7.492 1.00 0.00 C ATOM 989 NZ LYS A 66 8.341 -1.251 -7.095 1.00 0.00 N ATOM 0 H LYS A 66 5.946 0.480 -3.164 1.00 0.00 H new ATOM 0 HA LYS A 66 6.093 2.330 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.781 0.540 -4.452 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.997 1.336 -5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.979 -0.638 -4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.809 -1.042 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.907 0.936 -7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.233 0.773 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.318 -1.824 -7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.907 -0.723 -8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.693 -2.058 -7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.941 -0.420 -7.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.370 -1.487 -6.083 1.00 0.00 H new ATOM 1003 N LEU A 67 3.817 3.123 -2.984 1.00 0.00 N ATOM 1004 CA LEU A 67 2.993 4.218 -2.502 1.00 0.00 C ATOM 1005 C LEU A 67 3.848 5.481 -2.386 1.00 0.00 C ATOM 1006 O LEU A 67 3.696 6.413 -3.175 1.00 0.00 O ATOM 1007 CB LEU A 67 2.293 3.828 -1.199 1.00 0.00 C ATOM 1008 CG LEU A 67 0.955 4.518 -0.923 1.00 0.00 C ATOM 1009 CD1 LEU A 67 0.005 4.365 -2.112 1.00 0.00 C ATOM 1010 CD2 LEU A 67 0.332 4.007 0.377 1.00 0.00 C ATOM 0 H LEU A 67 3.782 2.279 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 67 2.196 4.436 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.129 2.750 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.967 4.042 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 67 1.141 5.584 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.938 4.864 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.454 4.815 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.179 3.307 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.618 4.514 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.162 2.933 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.007 4.210 1.208 1.00 0.00 H new ATOM 1022 N ASP A 68 4.729 5.473 -1.397 1.00 0.00 N ATOM 1023 CA ASP A 68 5.609 6.606 -1.168 1.00 0.00 C ATOM 1024 C ASP A 68 6.266 7.011 -2.488 1.00 0.00 C ATOM 1025 O ASP A 68 6.362 8.197 -2.801 1.00 0.00 O ATOM 1026 CB ASP A 68 6.718 6.251 -0.176 1.00 0.00 C ATOM 1027 CG ASP A 68 7.105 7.372 0.790 1.00 0.00 C ATOM 1028 OD1 ASP A 68 7.901 8.238 0.365 1.00 0.00 O ATOM 1029 OD2 ASP A 68 6.597 7.339 1.931 1.00 0.00 O ATOM 0 H ASP A 68 4.852 4.699 -0.744 1.00 0.00 H new ATOM 0 HA ASP A 68 5.010 7.421 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.402 5.385 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.604 5.953 -0.736 1.00 0.00 H new ATOM 1034 N GLU A 69 6.703 6.002 -3.228 1.00 0.00 N ATOM 1035 CA GLU A 69 7.350 6.238 -4.508 1.00 0.00 C ATOM 1036 C GLU A 69 6.553 7.257 -5.325 1.00 0.00 C ATOM 1037 O GLU A 69 7.055 8.335 -5.640 1.00 0.00 O ATOM 1038 CB GLU A 69 7.525 4.930 -5.283 1.00 0.00 C ATOM 1039 CG GLU A 69 8.858 4.912 -6.034 1.00 0.00 C ATOM 1040 CD GLU A 69 8.899 6.004 -7.105 1.00 0.00 C ATOM 1041 OE1 GLU A 69 7.859 6.179 -7.777 1.00 0.00 O ATOM 1042 OE2 GLU A 69 9.969 6.638 -7.228 1.00 0.00 O ATOM 0 H GLU A 69 6.622 5.020 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 69 8.343 6.647 -4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.480 4.086 -4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.704 4.809 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.678 5.057 -5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.005 3.937 -6.498 1.00 0.00 H new ATOM 1049 N PHE A 70 5.324 6.880 -5.646 1.00 0.00 N ATOM 1050 CA PHE A 70 4.453 7.747 -6.420 1.00 0.00 C ATOM 1051 C PHE A 70 4.181 9.056 -5.676 1.00 0.00 C ATOM 1052 O PHE A 70 4.478 10.137 -6.184 1.00 0.00 O ATOM 1053 CB PHE A 70 3.132 6.999 -6.612 1.00 0.00 C ATOM 1054 CG PHE A 70 3.300 5.536 -7.027 1.00 0.00 C ATOM 1055 CD1 PHE A 70 4.340 5.171 -7.824 1.00 0.00 C ATOM 1056 CD2 PHE A 70 2.410 4.602 -6.600 1.00 0.00 C ATOM 1057 CE1 PHE A 70 4.496 3.813 -8.209 1.00 0.00 C ATOM 1058 CE2 PHE A 70 2.565 3.244 -6.985 1.00 0.00 C ATOM 1059 CZ PHE A 70 3.605 2.878 -7.782 1.00 0.00 C ATOM 0 H PHE A 70 4.911 5.985 -5.384 1.00 0.00 H new ATOM 0 HA PHE A 70 4.923 7.992 -7.372 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.565 7.039 -5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.541 7.515 -7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.047 5.914 -8.164 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.584 4.893 -5.967 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.322 3.523 -8.841 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.858 2.502 -6.645 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.723 1.845 -8.076 1.00 0.00 H new ATOM 1069 N ARG A 71 3.618 8.917 -4.485 1.00 0.00 N ATOM 1070 CA ARG A 71 3.303 10.075 -3.666 1.00 0.00 C ATOM 1071 C ARG A 71 4.442 11.094 -3.726 1.00 0.00 C ATOM 1072 O ARG A 71 4.209 12.279 -3.960 1.00 0.00 O ATOM 1073 CB ARG A 71 3.065 9.671 -2.209 1.00 0.00 C ATOM 1074 CG ARG A 71 1.573 9.482 -1.929 1.00 0.00 C ATOM 1075 CD ARG A 71 1.353 8.587 -0.709 1.00 0.00 C ATOM 1076 NE ARG A 71 0.246 9.119 0.117 1.00 0.00 N ATOM 1077 CZ ARG A 71 0.333 10.225 0.868 1.00 0.00 C ATOM 1078 NH1 ARG A 71 1.477 10.923 0.902 1.00 0.00 N ATOM 1079 NH2 ARG A 71 -0.723 10.634 1.585 1.00 0.00 N ATOM 0 H ARG A 71 3.372 8.020 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 71 2.391 10.522 -4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.599 8.746 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.469 10.435 -1.545 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.105 10.452 -1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.089 9.041 -2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.122 7.571 -1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.267 8.535 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.639 8.612 0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.281 10.612 0.356 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.544 11.765 1.474 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.594 10.103 1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.656 11.476 2.157 1.00 0.00 H new ATOM 1093 N LYS A 72 5.651 10.596 -3.510 1.00 0.00 N ATOM 1094 CA LYS A 72 6.827 11.448 -3.537 1.00 0.00 C ATOM 1095 C LYS A 72 7.384 11.497 -4.961 1.00 0.00 C ATOM 1096 O LYS A 72 8.453 10.952 -5.233 1.00 0.00 O ATOM 1097 CB LYS A 72 7.847 10.987 -2.493 1.00 0.00 C ATOM 1098 CG LYS A 72 7.379 11.334 -1.079 1.00 0.00 C ATOM 1099 CD LYS A 72 7.557 12.827 -0.793 1.00 0.00 C ATOM 1100 CE LYS A 72 8.701 13.062 0.196 1.00 0.00 C ATOM 1101 NZ LYS A 72 9.177 14.461 0.114 1.00 0.00 N ATOM 0 H LYS A 72 5.841 9.613 -3.316 1.00 0.00 H new ATOM 0 HA LYS A 72 6.563 12.469 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.997 9.911 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.810 11.459 -2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.331 11.060 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.944 10.751 -0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.761 13.358 -1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.631 13.237 -0.388 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.364 12.845 1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.522 12.379 -0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.953 14.604 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.518 14.656 -0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.395 15.108 0.342 1.00 0.00 H new ATOM 1115 N SER A 73 6.634 12.155 -5.833 1.00 0.00 N ATOM 1116 CA SER A 73 7.040 12.282 -7.223 1.00 0.00 C ATOM 1117 C SER A 73 7.102 10.901 -7.878 1.00 0.00 C ATOM 1118 O SER A 73 7.973 10.095 -7.554 1.00 0.00 O ATOM 1119 CB SER A 73 8.393 12.986 -7.339 1.00 0.00 C ATOM 1120 OG SER A 73 8.257 14.405 -7.360 1.00 0.00 O ATOM 0 H SER A 73 5.748 12.606 -5.604 1.00 0.00 H new ATOM 0 HA SER A 73 6.299 12.890 -7.742 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.026 12.695 -6.501 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.896 12.657 -8.248 1.00 0.00 H new ATOM 0 HG SER A 73 9.143 14.817 -7.433 1.00 0.00 H new ATOM 1126 N GLY A 74 6.167 10.671 -8.788 1.00 0.00 N ATOM 1127 CA GLY A 74 6.105 9.401 -9.492 1.00 0.00 C ATOM 1128 C GLY A 74 6.042 9.616 -11.006 1.00 0.00 C ATOM 1129 O GLY A 74 5.715 10.707 -11.468 1.00 0.00 O ATOM 0 H GLY A 74 5.446 11.342 -9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.979 8.800 -9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.229 8.841 -9.164 1.00 0.00 H new ATOM 1133 N PRO A 75 6.369 8.528 -11.754 1.00 0.00 N ATOM 1134 CA PRO A 75 6.353 8.587 -13.206 1.00 0.00 C ATOM 1135 C PRO A 75 4.919 8.567 -13.740 1.00 0.00 C ATOM 1136 O PRO A 75 4.612 9.229 -14.729 1.00 0.00 O ATOM 1137 CB PRO A 75 7.172 7.389 -13.657 1.00 0.00 C ATOM 1138 CG PRO A 75 7.225 6.447 -12.465 1.00 0.00 C ATOM 1139 CD PRO A 75 6.761 7.219 -11.241 1.00 0.00 C ATOM 0 HA PRO A 75 6.778 9.512 -13.594 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.712 6.904 -14.518 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.174 7.693 -13.960 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.586 5.580 -12.635 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.238 6.073 -12.319 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.925 6.719 -10.751 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.558 7.306 -10.502 1.00 0.00 H new ATOM 1147 N SER A 76 4.080 7.799 -13.061 1.00 0.00 N ATOM 1148 CA SER A 76 2.686 7.683 -13.454 1.00 0.00 C ATOM 1149 C SER A 76 2.589 7.346 -14.943 1.00 0.00 C ATOM 1150 O SER A 76 3.607 7.207 -15.620 1.00 0.00 O ATOM 1151 CB SER A 76 1.919 8.972 -13.150 1.00 0.00 C ATOM 1152 OG SER A 76 2.334 10.049 -13.985 1.00 0.00 O ATOM 0 H SER A 76 4.339 7.251 -12.241 1.00 0.00 H new ATOM 0 HA SER A 76 2.233 6.878 -12.875 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.851 8.799 -13.285 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.068 9.245 -12.105 1.00 0.00 H new ATOM 0 HG SER A 76 2.986 9.723 -14.640 1.00 0.00 H new ATOM 1158 N SER A 77 1.355 7.225 -15.411 1.00 0.00 N ATOM 1159 CA SER A 77 1.111 6.907 -16.808 1.00 0.00 C ATOM 1160 C SER A 77 1.851 5.624 -17.189 1.00 0.00 C ATOM 1161 O SER A 77 2.958 5.676 -17.724 1.00 0.00 O ATOM 1162 CB SER A 77 1.543 8.059 -17.718 1.00 0.00 C ATOM 1163 OG SER A 77 0.634 9.155 -17.659 1.00 0.00 O ATOM 0 H SER A 77 0.513 7.342 -14.847 1.00 0.00 H new ATOM 0 HA SER A 77 0.040 6.755 -16.943 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.538 8.397 -17.428 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.615 7.702 -18.745 1.00 0.00 H new ATOM 0 HG SER A 77 0.945 9.870 -18.252 1.00 0.00 H new ATOM 1169 N GLY A 78 1.211 4.501 -16.898 1.00 0.00 N ATOM 1170 CA GLY A 78 1.795 3.206 -17.204 1.00 0.00 C ATOM 1171 C GLY A 78 1.332 2.705 -18.574 1.00 0.00 C ATOM 1172 O GLY A 78 1.738 3.240 -19.604 1.00 0.00 O ATOM 0 H GLY A 78 0.294 4.461 -16.454 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.882 3.281 -17.189 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.514 2.486 -16.436 1.00 0.00 H new TER 1176 GLY A 78