USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 826 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 32 GLN : amide:sc= 0.583 K(o=0.78,f=0) USER MOD Set 1.2: A 48 TYR OH : rot 141:sc= 0.199 USER MOD Set 2.1: A 7 SER OG : rot 140:sc= 0.115 USER MOD Set 2.2: A 9 GLN : amide:sc= 0.041 K(o=0.16,f=1.6) USER MOD Single : A 1 MET CE :methyl -115:sc= 0 (180deg=-2.09!) USER MOD Single : A 1 MET N :NH3+ -165:sc= 2.77 (180deg=2.11) USER MOD Single : A 3 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.22) USER MOD Single : A 4 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.016) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.225 USER MOD Single : A 13 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.032) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.0037) USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= -0.0246 (180deg=-0.221) USER MOD Single : A 33 SER OG : rot -31:sc= 0.987 USER MOD Single : A 34 SER OG : rot 51:sc= 1.05 USER MOD Single : A 41 ASN : amide:sc= -0.706 K(o=-0.71,f=-6.7!) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 47 ASN : amide:sc= -0.324 K(o=-0.32,f=-2.7!) USER MOD Single : A 50 ASN : amide:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.711 K(o=0.71,f=-0.14) USER MOD Single : A 58 SER OG : rot 120:sc= -0.157 USER MOD Single : A 61 TYR OH : rot 14:sc= 1.23 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.0741 USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= -0.0839 (180deg=-0.432) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -157:sc= 1.2 (180deg=0.213) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 31:sc= 0.345 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc=-0.00205 K(o=-0.002,f=-0.96) USER MOD Single : A 90 LYS NZ :NH3+ -165:sc= 0.273 (180deg=0.207) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -109:sc= 0.128 (180deg=-0.763) USER MOD Single : A 100 HIS : no HD1:sc= -0.0436 X(o=-0.044,f=-0.016) USER MOD Single : A 101 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.48) USER MOD Single : A 102 HIS : no HD1:sc= -0.0803 K(o=-0.08,f=-0.65) USER MOD Single : A 103 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.534 -14.239 -4.011 1.00 74.34 N ATOM 2 CA MET A 1 -1.578 -15.336 -5.023 1.00 60.10 C ATOM 3 C MET A 1 -0.765 -14.936 -6.258 1.00 2.12 C ATOM 4 O MET A 1 -1.291 -14.371 -7.224 1.00 63.23 O ATOM 5 CB MET A 1 -3.030 -15.660 -5.416 1.00 2.43 C ATOM 6 CG MET A 1 -3.845 -16.302 -4.300 1.00 10.01 C ATOM 7 SD MET A 1 -5.530 -16.683 -4.812 1.00 51.34 S ATOM 8 CE MET A 1 -6.160 -17.510 -3.353 1.00 2.54 C ATOM 0 H1 MET A 1 -1.860 -14.601 -3.092 1.00 74.34 H new ATOM 0 H2 MET A 1 -0.558 -13.890 -3.919 1.00 74.34 H new ATOM 0 H3 MET A 1 -2.152 -13.460 -4.316 1.00 74.34 H new ATOM 0 HA MET A 1 -1.140 -16.233 -4.585 1.00 60.10 H new ATOM 0 HB2 MET A 1 -3.524 -14.741 -5.730 1.00 2.43 H new ATOM 0 HB3 MET A 1 -3.022 -16.328 -6.277 1.00 2.43 H new ATOM 0 HG2 MET A 1 -3.351 -17.218 -3.974 1.00 10.01 H new ATOM 0 HG3 MET A 1 -3.872 -15.631 -3.441 1.00 10.01 H new ATOM 0 HE1 MET A 1 -6.383 -18.550 -3.592 1.00 2.54 H new ATOM 0 HE2 MET A 1 -5.411 -17.472 -2.562 1.00 2.54 H new ATOM 0 HE3 MET A 1 -7.069 -17.012 -3.016 1.00 2.54 H new ATOM 20 N ASP A 2 0.526 -15.230 -6.210 1.00 23.22 N ATOM 21 CA ASP A 2 1.481 -14.675 -7.162 1.00 32.01 C ATOM 22 C ASP A 2 2.760 -15.520 -7.247 1.00 14.41 C ATOM 23 O ASP A 2 2.870 -16.571 -6.609 1.00 2.25 O ATOM 24 CB ASP A 2 1.809 -13.234 -6.738 1.00 14.14 C ATOM 25 CG ASP A 2 1.928 -13.097 -5.225 1.00 31.30 C ATOM 26 OD1 ASP A 2 0.879 -12.931 -4.554 1.00 35.42 O ATOM 27 OD2 ASP A 2 3.054 -13.172 -4.699 1.00 73.52 O ATOM 0 H ASP A 2 0.940 -15.854 -5.517 1.00 23.22 H new ATOM 0 HA ASP A 2 1.035 -14.682 -8.157 1.00 32.01 H new ATOM 0 HB2 ASP A 2 2.743 -12.923 -7.205 1.00 14.14 H new ATOM 0 HB3 ASP A 2 1.031 -12.563 -7.103 1.00 14.14 H new ATOM 32 N GLN A 3 3.717 -15.056 -8.045 1.00 70.42 N ATOM 33 CA GLN A 3 4.996 -15.748 -8.205 1.00 21.25 C ATOM 34 C GLN A 3 6.020 -15.238 -7.183 1.00 61.10 C ATOM 35 O GLN A 3 6.510 -14.112 -7.287 1.00 51.25 O ATOM 36 CB GLN A 3 5.525 -15.558 -9.635 1.00 40.03 C ATOM 37 CG GLN A 3 4.625 -16.163 -10.708 1.00 5.11 C ATOM 38 CD GLN A 3 4.408 -17.657 -10.521 1.00 64.20 C ATOM 39 OE1 GLN A 3 3.470 -18.085 -9.858 1.00 74.04 O ATOM 40 NE2 GLN A 3 5.277 -18.463 -11.092 1.00 70.40 N ATOM 0 H GLN A 3 3.632 -14.200 -8.594 1.00 70.42 H new ATOM 0 HA GLN A 3 4.838 -16.812 -8.027 1.00 21.25 H new ATOM 0 HB2 GLN A 3 5.642 -14.492 -9.831 1.00 40.03 H new ATOM 0 HB3 GLN A 3 6.516 -16.007 -9.709 1.00 40.03 H new ATOM 0 HG2 GLN A 3 3.660 -15.656 -10.695 1.00 5.11 H new ATOM 0 HG3 GLN A 3 5.066 -15.984 -11.689 1.00 5.11 H new ATOM 0 HE21 GLN A 3 6.048 -18.078 -11.638 1.00 70.40 H new ATOM 0 HE22 GLN A 3 5.180 -19.473 -10.989 1.00 70.40 H new ATOM 49 N LYS A 4 6.333 -16.066 -6.189 1.00 62.34 N ATOM 50 CA LYS A 4 7.250 -15.670 -5.114 1.00 2.43 C ATOM 51 C LYS A 4 8.704 -15.577 -5.615 1.00 34.14 C ATOM 52 O LYS A 4 9.497 -16.512 -5.469 1.00 3.22 O ATOM 53 CB LYS A 4 7.142 -16.648 -3.936 1.00 42.10 C ATOM 54 CG LYS A 4 5.715 -16.818 -3.411 1.00 32.25 C ATOM 55 CD LYS A 4 5.109 -15.490 -2.955 1.00 73.54 C ATOM 56 CE LYS A 4 3.650 -15.641 -2.523 1.00 72.11 C ATOM 57 NZ LYS A 4 3.503 -16.495 -1.315 1.00 24.51 N ATOM 0 H LYS A 4 5.968 -17.014 -6.102 1.00 62.34 H new ATOM 0 HA LYS A 4 6.958 -14.676 -4.773 1.00 2.43 H new ATOM 0 HB2 LYS A 4 7.525 -17.621 -4.246 1.00 42.10 H new ATOM 0 HB3 LYS A 4 7.780 -16.298 -3.124 1.00 42.10 H new ATOM 0 HG2 LYS A 4 5.091 -17.252 -4.192 1.00 32.25 H new ATOM 0 HG3 LYS A 4 5.717 -17.521 -2.578 1.00 32.25 H new ATOM 0 HD2 LYS A 4 5.693 -15.092 -2.125 1.00 73.54 H new ATOM 0 HD3 LYS A 4 5.173 -14.765 -3.767 1.00 73.54 H new ATOM 0 HE2 LYS A 4 3.230 -14.656 -2.322 1.00 72.11 H new ATOM 0 HE3 LYS A 4 3.074 -16.072 -3.342 1.00 72.11 H new ATOM 0 HZ1 LYS A 4 2.505 -16.512 -1.021 1.00 24.51 H new ATOM 0 HZ2 LYS A 4 3.817 -17.462 -1.533 1.00 24.51 H new ATOM 0 HZ3 LYS A 4 4.084 -16.109 -0.544 1.00 24.51 H new ATOM 71 N SER A 5 9.025 -14.448 -6.240 1.00 1.21 N ATOM 72 CA SER A 5 10.372 -14.187 -6.770 1.00 30.40 C ATOM 73 C SER A 5 11.197 -13.322 -5.807 1.00 24.14 C ATOM 74 O SER A 5 10.651 -12.681 -4.902 1.00 32.31 O ATOM 75 CB SER A 5 10.275 -13.486 -8.135 1.00 44.33 C ATOM 76 OG SER A 5 9.626 -12.226 -8.025 1.00 4.20 O ATOM 0 H SER A 5 8.365 -13.686 -6.396 1.00 1.21 H new ATOM 0 HA SER A 5 10.875 -15.147 -6.884 1.00 30.40 H new ATOM 0 HB2 SER A 5 11.275 -13.348 -8.547 1.00 44.33 H new ATOM 0 HB3 SER A 5 9.728 -14.119 -8.833 1.00 44.33 H new ATOM 0 HG SER A 5 9.581 -11.803 -8.908 1.00 4.20 H new ATOM 82 N SER A 6 12.514 -13.306 -6.004 1.00 51.40 N ATOM 83 CA SER A 6 13.419 -12.499 -5.172 1.00 14.12 C ATOM 84 C SER A 6 14.587 -11.944 -5.998 1.00 32.04 C ATOM 85 O SER A 6 14.766 -12.307 -7.163 1.00 64.44 O ATOM 86 CB SER A 6 13.962 -13.331 -4.002 1.00 2.12 C ATOM 87 OG SER A 6 14.783 -12.547 -3.149 1.00 43.13 O ATOM 0 H SER A 6 12.984 -13.843 -6.733 1.00 51.40 H new ATOM 0 HA SER A 6 12.844 -11.660 -4.779 1.00 14.12 H new ATOM 0 HB2 SER A 6 13.131 -13.745 -3.431 1.00 2.12 H new ATOM 0 HB3 SER A 6 14.535 -14.174 -4.388 1.00 2.12 H new ATOM 0 HG SER A 6 15.113 -13.102 -2.412 1.00 43.13 H new ATOM 93 N SER A 7 15.388 -11.072 -5.389 1.00 62.25 N ATOM 94 CA SER A 7 16.501 -10.418 -6.095 1.00 54.31 C ATOM 95 C SER A 7 17.561 -9.886 -5.116 1.00 11.42 C ATOM 96 O SER A 7 17.226 -9.242 -4.119 1.00 11.23 O ATOM 97 CB SER A 7 15.974 -9.262 -6.960 1.00 21.25 C ATOM 98 OG SER A 7 17.028 -8.591 -7.632 1.00 22.00 O ATOM 0 H SER A 7 15.292 -10.799 -4.411 1.00 62.25 H new ATOM 0 HA SER A 7 16.972 -11.168 -6.730 1.00 54.31 H new ATOM 0 HB2 SER A 7 15.263 -9.648 -7.691 1.00 21.25 H new ATOM 0 HB3 SER A 7 15.433 -8.554 -6.332 1.00 21.25 H new ATOM 0 HG SER A 7 16.745 -8.368 -8.543 1.00 22.00 H new ATOM 104 N PRO A 8 18.858 -10.159 -5.379 1.00 74.25 N ATOM 105 CA PRO A 8 19.963 -9.666 -4.534 1.00 42.14 C ATOM 106 C PRO A 8 20.090 -8.132 -4.539 1.00 14.13 C ATOM 107 O PRO A 8 20.294 -7.516 -3.488 1.00 73.42 O ATOM 108 CB PRO A 8 21.217 -10.308 -5.159 1.00 24.42 C ATOM 109 CG PRO A 8 20.704 -11.425 -6.010 1.00 44.24 C ATOM 110 CD PRO A 8 19.350 -10.984 -6.497 1.00 4.03 C ATOM 0 HA PRO A 8 19.806 -9.928 -3.488 1.00 42.14 H new ATOM 0 HB2 PRO A 8 21.775 -9.584 -5.754 1.00 24.42 H new ATOM 0 HB3 PRO A 8 21.895 -10.678 -4.390 1.00 24.42 H new ATOM 0 HG2 PRO A 8 21.376 -11.619 -6.846 1.00 44.24 H new ATOM 0 HG3 PRO A 8 20.631 -12.350 -5.438 1.00 44.24 H new ATOM 0 HD2 PRO A 8 19.419 -10.413 -7.423 1.00 4.03 H new ATOM 0 HD3 PRO A 8 18.694 -11.832 -6.694 1.00 4.03 H new ATOM 118 N GLN A 9 19.978 -7.530 -5.731 1.00 64.12 N ATOM 119 CA GLN A 9 20.078 -6.071 -5.902 1.00 41.10 C ATOM 120 C GLN A 9 21.457 -5.532 -5.480 1.00 54.24 C ATOM 121 O GLN A 9 21.714 -5.303 -4.295 1.00 73.50 O ATOM 122 CB GLN A 9 18.953 -5.358 -5.132 1.00 10.13 C ATOM 123 CG GLN A 9 17.561 -5.665 -5.679 1.00 15.20 C ATOM 124 CD GLN A 9 17.367 -5.158 -7.100 1.00 71.40 C ATOM 125 OE1 GLN A 9 17.912 -4.130 -7.487 1.00 31.52 O ATOM 126 NE2 GLN A 9 16.618 -5.889 -7.900 1.00 45.54 N ATOM 0 H GLN A 9 19.816 -8.037 -6.601 1.00 64.12 H new ATOM 0 HA GLN A 9 19.963 -5.859 -6.965 1.00 41.10 H new ATOM 0 HB2 GLN A 9 18.997 -5.651 -4.083 1.00 10.13 H new ATOM 0 HB3 GLN A 9 19.122 -4.282 -5.169 1.00 10.13 H new ATOM 0 HG2 GLN A 9 17.395 -6.742 -5.655 1.00 15.20 H new ATOM 0 HG3 GLN A 9 16.811 -5.212 -5.030 1.00 15.20 H new ATOM 0 HE21 GLN A 9 16.177 -6.740 -7.550 1.00 45.54 H new ATOM 0 HE22 GLN A 9 16.479 -5.604 -8.870 1.00 45.54 H new ATOM 135 N PRO A 10 22.369 -5.328 -6.452 1.00 21.10 N ATOM 136 CA PRO A 10 23.726 -4.826 -6.178 1.00 21.11 C ATOM 137 C PRO A 10 23.740 -3.358 -5.714 1.00 34.10 C ATOM 138 O PRO A 10 23.272 -2.461 -6.421 1.00 32.11 O ATOM 139 CB PRO A 10 24.439 -4.973 -7.532 1.00 34.01 C ATOM 140 CG PRO A 10 23.343 -4.915 -8.542 1.00 72.34 C ATOM 141 CD PRO A 10 22.151 -5.571 -7.894 1.00 23.41 C ATOM 0 HA PRO A 10 24.202 -5.375 -5.365 1.00 21.11 H new ATOM 0 HB2 PRO A 10 25.164 -4.174 -7.687 1.00 34.01 H new ATOM 0 HB3 PRO A 10 24.985 -5.915 -7.593 1.00 34.01 H new ATOM 0 HG2 PRO A 10 23.120 -3.884 -8.818 1.00 72.34 H new ATOM 0 HG3 PRO A 10 23.626 -5.436 -9.457 1.00 72.34 H new ATOM 0 HD2 PRO A 10 21.214 -5.133 -8.238 1.00 23.41 H new ATOM 0 HD3 PRO A 10 22.106 -6.636 -8.120 1.00 23.41 H new ATOM 149 N ALA A 11 24.300 -3.114 -4.532 1.00 62.22 N ATOM 150 CA ALA A 11 24.366 -1.760 -3.964 1.00 31.45 C ATOM 151 C ALA A 11 25.474 -0.907 -4.617 1.00 74.02 C ATOM 152 O ALA A 11 26.166 -0.143 -3.940 1.00 70.31 O ATOM 153 CB ALA A 11 24.577 -1.849 -2.455 1.00 71.02 C ATOM 0 H ALA A 11 24.717 -3.835 -3.943 1.00 62.22 H new ATOM 0 HA ALA A 11 23.419 -1.262 -4.173 1.00 31.45 H new ATOM 0 HB1 ALA A 11 24.626 -0.845 -2.035 1.00 71.02 H new ATOM 0 HB2 ALA A 11 23.747 -2.392 -2.003 1.00 71.02 H new ATOM 0 HB3 ALA A 11 25.509 -2.375 -2.248 1.00 71.02 H new ATOM 159 N ALA A 12 25.617 -1.017 -5.940 1.00 14.21 N ATOM 160 CA ALA A 12 26.632 -0.258 -6.686 1.00 51.41 C ATOM 161 C ALA A 12 26.209 1.208 -6.890 1.00 40.54 C ATOM 162 O ALA A 12 27.014 2.053 -7.287 1.00 62.11 O ATOM 163 CB ALA A 12 26.899 -0.926 -8.033 1.00 51.03 C ATOM 0 H ALA A 12 25.042 -1.626 -6.522 1.00 14.21 H new ATOM 0 HA ALA A 12 27.549 -0.257 -6.097 1.00 51.41 H new ATOM 0 HB1 ALA A 12 27.652 -0.357 -8.578 1.00 51.03 H new ATOM 0 HB2 ALA A 12 27.259 -1.942 -7.870 1.00 51.03 H new ATOM 0 HB3 ALA A 12 25.977 -0.957 -8.613 1.00 51.03 H new ATOM 169 N GLN A 13 24.938 1.502 -6.622 1.00 32.04 N ATOM 170 CA GLN A 13 24.416 2.871 -6.737 1.00 31.35 C ATOM 171 C GLN A 13 24.911 3.749 -5.577 1.00 62.31 C ATOM 172 O GLN A 13 25.051 3.277 -4.449 1.00 3.02 O ATOM 173 CB GLN A 13 22.880 2.854 -6.746 1.00 15.24 C ATOM 174 CG GLN A 13 22.267 2.040 -7.882 1.00 14.25 C ATOM 175 CD GLN A 13 22.584 2.601 -9.258 1.00 23.10 C ATOM 176 OE1 GLN A 13 23.577 2.238 -9.880 1.00 14.43 O ATOM 177 NE2 GLN A 13 21.743 3.492 -9.745 1.00 11.14 N ATOM 0 H GLN A 13 24.247 0.814 -6.323 1.00 32.04 H new ATOM 0 HA GLN A 13 24.781 3.291 -7.674 1.00 31.35 H new ATOM 0 HB2 GLN A 13 22.527 2.453 -5.796 1.00 15.24 H new ATOM 0 HB3 GLN A 13 22.517 3.880 -6.813 1.00 15.24 H new ATOM 0 HG2 GLN A 13 22.630 1.014 -7.822 1.00 14.25 H new ATOM 0 HG3 GLN A 13 21.185 2.003 -7.752 1.00 14.25 H new ATOM 0 HE21 GLN A 13 20.926 3.773 -9.202 1.00 11.14 H new ATOM 0 HE22 GLN A 13 21.909 3.901 -10.665 1.00 11.14 H new ATOM 186 N ALA A 14 25.177 5.023 -5.857 1.00 15.21 N ATOM 187 CA ALA A 14 25.579 5.974 -4.816 1.00 3.03 C ATOM 188 C ALA A 14 24.406 6.281 -3.868 1.00 54.41 C ATOM 189 O ALA A 14 23.309 6.614 -4.324 1.00 42.33 O ATOM 190 CB ALA A 14 26.096 7.259 -5.451 1.00 2.11 C ATOM 0 H ALA A 14 25.122 5.423 -6.794 1.00 15.21 H new ATOM 0 HA ALA A 14 26.379 5.522 -4.230 1.00 3.03 H new ATOM 0 HB1 ALA A 14 26.392 7.958 -4.669 1.00 2.11 H new ATOM 0 HB2 ALA A 14 26.957 7.033 -6.080 1.00 2.11 H new ATOM 0 HB3 ALA A 14 25.310 7.706 -6.059 1.00 2.11 H new ATOM 196 N PRO A 15 24.617 6.168 -2.541 1.00 71.14 N ATOM 197 CA PRO A 15 23.556 6.393 -1.542 1.00 13.41 C ATOM 198 C PRO A 15 22.830 7.738 -1.717 1.00 14.23 C ATOM 199 O PRO A 15 23.413 8.808 -1.513 1.00 34.20 O ATOM 200 CB PRO A 15 24.314 6.356 -0.206 1.00 41.13 C ATOM 201 CG PRO A 15 25.516 5.519 -0.480 1.00 12.22 C ATOM 202 CD PRO A 15 25.900 5.808 -1.908 1.00 33.33 C ATOM 0 HA PRO A 15 22.765 5.648 -1.626 1.00 13.41 H new ATOM 0 HB2 PRO A 15 24.594 7.358 0.119 1.00 41.13 H new ATOM 0 HB3 PRO A 15 23.702 5.924 0.586 1.00 41.13 H new ATOM 0 HG2 PRO A 15 26.329 5.768 0.202 1.00 12.22 H new ATOM 0 HG3 PRO A 15 25.296 4.461 -0.341 1.00 12.22 H new ATOM 0 HD2 PRO A 15 26.622 6.622 -1.973 1.00 33.33 H new ATOM 0 HD3 PRO A 15 26.354 4.940 -2.386 1.00 33.33 H new ATOM 210 N GLU A 16 21.560 7.677 -2.110 1.00 64.45 N ATOM 211 CA GLU A 16 20.736 8.880 -2.264 1.00 0.52 C ATOM 212 C GLU A 16 19.980 9.203 -0.959 1.00 5.21 C ATOM 213 O GLU A 16 20.379 8.760 0.121 1.00 13.25 O ATOM 214 CB GLU A 16 19.760 8.702 -3.442 1.00 51.15 C ATOM 215 CG GLU A 16 18.757 7.565 -3.274 1.00 34.04 C ATOM 216 CD GLU A 16 17.846 7.412 -4.485 1.00 25.45 C ATOM 217 OE1 GLU A 16 16.998 8.301 -4.707 1.00 33.44 O ATOM 218 OE2 GLU A 16 17.974 6.404 -5.215 1.00 43.12 O ATOM 0 H GLU A 16 21.075 6.807 -2.329 1.00 64.45 H new ATOM 0 HA GLU A 16 21.389 9.725 -2.481 1.00 0.52 H new ATOM 0 HB2 GLU A 16 19.212 9.633 -3.586 1.00 51.15 H new ATOM 0 HB3 GLU A 16 20.337 8.528 -4.350 1.00 51.15 H new ATOM 0 HG2 GLU A 16 19.294 6.632 -3.107 1.00 34.04 H new ATOM 0 HG3 GLU A 16 18.150 7.747 -2.387 1.00 34.04 H new ATOM 225 N THR A 17 18.908 9.991 -1.058 1.00 62.05 N ATOM 226 CA THR A 17 18.129 10.414 0.119 1.00 72.41 C ATOM 227 C THR A 17 17.702 9.230 1.008 1.00 61.13 C ATOM 228 O THR A 17 17.015 8.308 0.560 1.00 1.31 O ATOM 229 CB THR A 17 16.857 11.198 -0.297 1.00 65.55 C ATOM 230 OG1 THR A 17 17.203 12.294 -1.161 1.00 24.44 O ATOM 231 CG2 THR A 17 16.113 11.736 0.923 1.00 43.12 C ATOM 0 H THR A 17 18.554 10.353 -1.943 1.00 62.05 H new ATOM 0 HA THR A 17 18.795 11.058 0.693 1.00 72.41 H new ATOM 0 HB THR A 17 16.204 10.505 -0.828 1.00 65.55 H new ATOM 0 HG1 THR A 17 16.390 12.778 -1.417 1.00 24.44 H new ATOM 0 HG21 THR A 17 15.227 12.280 0.598 1.00 43.12 H new ATOM 0 HG22 THR A 17 15.814 10.905 1.563 1.00 43.12 H new ATOM 0 HG23 THR A 17 16.766 12.407 1.481 1.00 43.12 H new ATOM 239 N LYS A 18 18.129 9.255 2.269 1.00 13.54 N ATOM 240 CA LYS A 18 17.677 8.274 3.266 1.00 62.52 C ATOM 241 C LYS A 18 16.632 8.903 4.198 1.00 25.05 C ATOM 242 O LYS A 18 16.952 9.800 4.983 1.00 72.21 O ATOM 243 CB LYS A 18 18.865 7.762 4.100 1.00 74.33 C ATOM 244 CG LYS A 18 18.472 6.785 5.211 1.00 22.02 C ATOM 245 CD LYS A 18 19.640 6.495 6.154 1.00 2.44 C ATOM 246 CE LYS A 18 19.231 5.568 7.298 1.00 71.03 C ATOM 247 NZ LYS A 18 20.301 5.432 8.324 1.00 42.34 N ATOM 0 H LYS A 18 18.789 9.944 2.630 1.00 13.54 H new ATOM 0 HA LYS A 18 17.228 7.435 2.735 1.00 62.52 H new ATOM 0 HB2 LYS A 18 19.578 7.273 3.436 1.00 74.33 H new ATOM 0 HB3 LYS A 18 19.377 8.615 4.545 1.00 74.33 H new ATOM 0 HG2 LYS A 18 17.640 7.198 5.780 1.00 22.02 H new ATOM 0 HG3 LYS A 18 18.123 5.852 4.768 1.00 22.02 H new ATOM 0 HD2 LYS A 18 20.456 6.040 5.592 1.00 2.44 H new ATOM 0 HD3 LYS A 18 20.018 7.432 6.563 1.00 2.44 H new ATOM 0 HE2 LYS A 18 18.326 5.952 7.769 1.00 71.03 H new ATOM 0 HE3 LYS A 18 18.988 4.584 6.897 1.00 71.03 H new ATOM 0 HZ1 LYS A 18 19.978 4.794 9.080 1.00 42.34 H new ATOM 0 HZ2 LYS A 18 21.157 5.040 7.883 1.00 42.34 H new ATOM 0 HZ3 LYS A 18 20.516 6.366 8.728 1.00 42.34 H new ATOM 261 N GLN A 19 15.388 8.444 4.106 1.00 40.41 N ATOM 262 CA GLN A 19 14.314 8.929 4.983 1.00 44.31 C ATOM 263 C GLN A 19 13.758 7.800 5.861 1.00 73.14 C ATOM 264 O GLN A 19 13.814 6.624 5.494 1.00 72.33 O ATOM 265 CB GLN A 19 13.174 9.543 4.157 1.00 65.45 C ATOM 266 CG GLN A 19 13.533 10.850 3.458 1.00 65.03 C ATOM 267 CD GLN A 19 13.922 11.956 4.430 1.00 73.04 C ATOM 268 OE1 GLN A 19 15.093 12.137 4.751 1.00 4.03 O ATOM 269 NE2 GLN A 19 12.947 12.703 4.915 1.00 35.03 N ATOM 0 H GLN A 19 15.093 7.736 3.434 1.00 40.41 H new ATOM 0 HA GLN A 19 14.743 9.694 5.630 1.00 44.31 H new ATOM 0 HB2 GLN A 19 12.856 8.820 3.406 1.00 65.45 H new ATOM 0 HB3 GLN A 19 12.321 9.718 4.812 1.00 65.45 H new ATOM 0 HG2 GLN A 19 14.359 10.672 2.769 1.00 65.03 H new ATOM 0 HG3 GLN A 19 12.684 11.181 2.860 1.00 65.03 H new ATOM 0 HE21 GLN A 19 11.983 12.530 4.631 1.00 35.03 H new ATOM 0 HE22 GLN A 19 13.158 13.453 5.574 1.00 35.03 H new ATOM 278 N ALA A 20 13.224 8.164 7.023 1.00 64.13 N ATOM 279 CA ALA A 20 12.611 7.192 7.934 1.00 3.14 C ATOM 280 C ALA A 20 11.190 6.816 7.490 1.00 63.24 C ATOM 281 O ALA A 20 10.488 7.617 6.874 1.00 52.34 O ATOM 282 CB ALA A 20 12.584 7.746 9.351 1.00 50.42 C ATOM 0 H ALA A 20 13.201 9.126 7.360 1.00 64.13 H new ATOM 0 HA ALA A 20 13.219 6.287 7.910 1.00 3.14 H new ATOM 0 HB1 ALA A 20 12.127 7.016 10.019 1.00 50.42 H new ATOM 0 HB2 ALA A 20 13.602 7.951 9.681 1.00 50.42 H new ATOM 0 HB3 ALA A 20 12.004 8.668 9.370 1.00 50.42 H new ATOM 288 N PHE A 21 10.774 5.590 7.810 1.00 54.43 N ATOM 289 CA PHE A 21 9.422 5.114 7.487 1.00 12.22 C ATOM 290 C PHE A 21 8.445 5.356 8.651 1.00 21.14 C ATOM 291 O PHE A 21 8.498 4.652 9.665 1.00 0.21 O ATOM 292 CB PHE A 21 9.448 3.611 7.157 1.00 32.53 C ATOM 293 CG PHE A 21 10.134 3.276 5.857 1.00 13.51 C ATOM 294 CD1 PHE A 21 9.539 3.592 4.644 1.00 62.10 C ATOM 295 CD2 PHE A 21 11.370 2.641 5.845 1.00 23.52 C ATOM 296 CE1 PHE A 21 10.160 3.281 3.451 1.00 3.13 C ATOM 297 CE2 PHE A 21 11.993 2.330 4.652 1.00 40.22 C ATOM 298 CZ PHE A 21 11.387 2.649 3.454 1.00 45.42 C ATOM 0 H PHE A 21 11.354 4.904 8.294 1.00 54.43 H new ATOM 0 HA PHE A 21 9.078 5.678 6.620 1.00 12.22 H new ATOM 0 HB2 PHE A 21 9.950 3.081 7.967 1.00 32.53 H new ATOM 0 HB3 PHE A 21 8.424 3.241 7.120 1.00 32.53 H new ATOM 0 HD1 PHE A 21 8.579 4.087 4.633 1.00 62.10 H new ATOM 0 HD2 PHE A 21 11.849 2.388 6.779 1.00 23.52 H new ATOM 0 HE1 PHE A 21 9.685 3.533 2.514 1.00 3.13 H new ATOM 0 HE2 PHE A 21 12.954 1.837 4.657 1.00 40.22 H new ATOM 0 HZ PHE A 21 11.872 2.405 2.520 1.00 45.42 H new ATOM 308 N PRO A 22 7.545 6.351 8.541 1.00 42.22 N ATOM 309 CA PRO A 22 6.490 6.541 9.540 1.00 51.10 C ATOM 310 C PRO A 22 5.369 5.507 9.352 1.00 52.00 C ATOM 311 O PRO A 22 4.469 5.684 8.532 1.00 20.22 O ATOM 312 CB PRO A 22 5.992 7.964 9.249 1.00 23.25 C ATOM 313 CG PRO A 22 6.247 8.164 7.788 1.00 51.43 C ATOM 314 CD PRO A 22 7.484 7.360 7.461 1.00 21.11 C ATOM 0 HA PRO A 22 6.835 6.413 10.566 1.00 51.10 H new ATOM 0 HB2 PRO A 22 4.933 8.069 9.484 1.00 23.25 H new ATOM 0 HB3 PRO A 22 6.526 8.701 9.849 1.00 23.25 H new ATOM 0 HG2 PRO A 22 5.396 7.828 7.195 1.00 51.43 H new ATOM 0 HG3 PRO A 22 6.397 9.219 7.560 1.00 51.43 H new ATOM 0 HD2 PRO A 22 7.409 6.892 6.480 1.00 21.11 H new ATOM 0 HD3 PRO A 22 8.376 7.986 7.448 1.00 21.11 H new ATOM 322 N ARG A 23 5.422 4.427 10.125 1.00 70.12 N ATOM 323 CA ARG A 23 4.537 3.282 9.892 1.00 44.52 C ATOM 324 C ARG A 23 3.157 3.464 10.534 1.00 45.35 C ATOM 325 O ARG A 23 2.183 2.868 10.085 1.00 42.43 O ATOM 326 CB ARG A 23 5.194 1.987 10.388 1.00 72.25 C ATOM 327 CG ARG A 23 5.467 1.950 11.889 1.00 54.11 C ATOM 328 CD ARG A 23 6.094 0.624 12.307 1.00 44.52 C ATOM 329 NE ARG A 23 6.290 0.534 13.751 1.00 44.45 N ATOM 330 CZ ARG A 23 6.728 -0.530 14.364 1.00 62.23 C ATOM 331 NH1 ARG A 23 7.034 -1.596 13.694 1.00 13.21 N ATOM 332 NH2 ARG A 23 6.850 -0.531 15.649 1.00 4.34 N ATOM 0 H ARG A 23 6.061 4.317 10.912 1.00 70.12 H new ATOM 0 HA ARG A 23 4.380 3.215 8.815 1.00 44.52 H new ATOM 0 HB2 ARG A 23 4.552 1.146 10.128 1.00 72.25 H new ATOM 0 HB3 ARG A 23 6.135 1.846 9.857 1.00 72.25 H new ATOM 0 HG2 ARG A 23 6.132 2.770 12.160 1.00 54.11 H new ATOM 0 HG3 ARG A 23 4.535 2.102 12.434 1.00 54.11 H new ATOM 0 HD2 ARG A 23 5.457 -0.197 11.977 1.00 44.52 H new ATOM 0 HD3 ARG A 23 7.054 0.504 11.804 1.00 44.52 H new ATOM 0 HE ARG A 23 6.071 1.355 14.315 1.00 44.45 H new ATOM 0 HH11 ARG A 23 6.933 -1.607 12.679 1.00 13.21 H new ATOM 0 HH12 ARG A 23 7.376 -2.424 14.181 1.00 13.21 H new ATOM 0 HH21 ARG A 23 6.604 0.301 16.185 1.00 4.34 H new ATOM 0 HH22 ARG A 23 7.193 -1.364 16.128 1.00 4.34 H new ATOM 346 N LYS A 24 3.067 4.297 11.567 1.00 42.01 N ATOM 347 CA LYS A 24 1.797 4.503 12.273 1.00 22.40 C ATOM 348 C LYS A 24 0.718 5.074 11.337 1.00 72.01 C ATOM 349 O LYS A 24 -0.382 4.526 11.232 1.00 2.14 O ATOM 350 CB LYS A 24 1.997 5.429 13.478 1.00 13.42 C ATOM 351 CG LYS A 24 2.999 4.894 14.499 1.00 3.14 C ATOM 352 CD LYS A 24 3.060 5.765 15.748 1.00 1.02 C ATOM 353 CE LYS A 24 1.712 5.830 16.460 1.00 43.20 C ATOM 354 NZ LYS A 24 1.203 4.478 16.822 1.00 72.24 N ATOM 0 H LYS A 24 3.849 4.838 11.935 1.00 42.01 H new ATOM 0 HA LYS A 24 1.454 3.531 12.626 1.00 22.40 H new ATOM 0 HB2 LYS A 24 2.335 6.403 13.125 1.00 13.42 H new ATOM 0 HB3 LYS A 24 1.037 5.584 13.970 1.00 13.42 H new ATOM 0 HG2 LYS A 24 2.724 3.877 14.779 1.00 3.14 H new ATOM 0 HG3 LYS A 24 3.988 4.843 14.044 1.00 3.14 H new ATOM 0 HD2 LYS A 24 3.813 5.370 16.430 1.00 1.02 H new ATOM 0 HD3 LYS A 24 3.375 6.772 15.474 1.00 1.02 H new ATOM 0 HE2 LYS A 24 1.808 6.434 17.362 1.00 43.20 H new ATOM 0 HE3 LYS A 24 0.987 6.330 15.817 1.00 43.20 H new ATOM 0 HZ1 LYS A 24 0.388 4.574 17.461 1.00 72.24 H new ATOM 0 HZ2 LYS A 24 0.910 3.975 15.960 1.00 72.24 H new ATOM 0 HZ3 LYS A 24 1.955 3.940 17.298 1.00 72.24 H new ATOM 368 N PHE A 25 1.043 6.169 10.652 1.00 51.30 N ATOM 369 CA PHE A 25 0.116 6.791 9.696 1.00 11.40 C ATOM 370 C PHE A 25 -0.150 5.878 8.487 1.00 12.21 C ATOM 371 O PHE A 25 -1.292 5.733 8.044 1.00 63.40 O ATOM 372 CB PHE A 25 0.666 8.138 9.211 1.00 73.14 C ATOM 373 CG PHE A 25 0.747 9.194 10.288 1.00 31.52 C ATOM 374 CD1 PHE A 25 1.861 9.289 11.112 1.00 11.44 C ATOM 375 CD2 PHE A 25 -0.293 10.097 10.472 1.00 23.42 C ATOM 376 CE1 PHE A 25 1.935 10.260 12.093 1.00 52.23 C ATOM 377 CE2 PHE A 25 -0.222 11.070 11.452 1.00 64.34 C ATOM 378 CZ PHE A 25 0.893 11.151 12.263 1.00 23.32 C ATOM 0 H PHE A 25 1.940 6.647 10.738 1.00 51.30 H new ATOM 0 HA PHE A 25 -0.827 6.951 10.218 1.00 11.40 H new ATOM 0 HB2 PHE A 25 1.661 7.983 8.793 1.00 73.14 H new ATOM 0 HB3 PHE A 25 0.035 8.506 8.402 1.00 73.14 H new ATOM 0 HD1 PHE A 25 2.679 8.596 10.985 1.00 11.44 H new ATOM 0 HD2 PHE A 25 -1.168 10.038 9.842 1.00 23.42 H new ATOM 0 HE1 PHE A 25 2.807 10.322 12.727 1.00 52.23 H new ATOM 0 HE2 PHE A 25 -1.038 11.766 11.583 1.00 64.34 H new ATOM 0 HZ PHE A 25 0.950 11.910 13.029 1.00 23.32 H new ATOM 388 N VAL A 26 0.909 5.262 7.959 1.00 12.03 N ATOM 389 CA VAL A 26 0.784 4.375 6.795 1.00 35.33 C ATOM 390 C VAL A 26 -0.124 3.168 7.091 1.00 2.53 C ATOM 391 O VAL A 26 -1.059 2.887 6.339 1.00 60.11 O ATOM 392 CB VAL A 26 2.167 3.875 6.304 1.00 73.41 C ATOM 393 CG1 VAL A 26 2.011 2.932 5.111 1.00 64.22 C ATOM 394 CG2 VAL A 26 3.073 5.051 5.940 1.00 51.32 C ATOM 0 H VAL A 26 1.860 5.359 8.315 1.00 12.03 H new ATOM 0 HA VAL A 26 0.326 4.970 6.005 1.00 35.33 H new ATOM 0 HB VAL A 26 2.634 3.323 7.120 1.00 73.41 H new ATOM 0 HG11 VAL A 26 2.994 2.594 4.784 1.00 64.22 H new ATOM 0 HG12 VAL A 26 1.410 2.071 5.404 1.00 64.22 H new ATOM 0 HG13 VAL A 26 1.517 3.458 4.294 1.00 64.22 H new ATOM 0 HG21 VAL A 26 4.037 4.675 5.598 1.00 51.32 H new ATOM 0 HG22 VAL A 26 2.609 5.635 5.145 1.00 51.32 H new ATOM 0 HG23 VAL A 26 3.219 5.682 6.816 1.00 51.32 H new ATOM 404 N LEU A 27 0.150 2.460 8.187 1.00 0.03 N ATOM 405 CA LEU A 27 -0.688 1.328 8.600 1.00 71.34 C ATOM 406 C LEU A 27 -2.125 1.785 8.900 1.00 34.12 C ATOM 407 O LEU A 27 -3.085 1.076 8.597 1.00 21.34 O ATOM 408 CB LEU A 27 -0.085 0.621 9.825 1.00 11.42 C ATOM 409 CG LEU A 27 1.301 -0.015 9.605 1.00 61.50 C ATOM 410 CD1 LEU A 27 1.792 -0.704 10.878 1.00 64.01 C ATOM 411 CD2 LEU A 27 1.268 -0.997 8.434 1.00 51.23 C ATOM 0 H LEU A 27 0.941 2.647 8.804 1.00 0.03 H new ATOM 0 HA LEU A 27 -0.721 0.619 7.773 1.00 71.34 H new ATOM 0 HB2 LEU A 27 -0.010 1.342 10.639 1.00 11.42 H new ATOM 0 HB3 LEU A 27 -0.775 -0.157 10.151 1.00 11.42 H new ATOM 0 HG LEU A 27 2.003 0.782 9.360 1.00 61.50 H new ATOM 0 HD11 LEU A 27 2.772 -1.145 10.698 1.00 64.01 H new ATOM 0 HD12 LEU A 27 1.866 0.028 11.682 1.00 64.01 H new ATOM 0 HD13 LEU A 27 1.089 -1.486 11.163 1.00 64.01 H new ATOM 0 HD21 LEU A 27 2.257 -1.434 8.297 1.00 51.23 H new ATOM 0 HD22 LEU A 27 0.548 -1.788 8.643 1.00 51.23 H new ATOM 0 HD23 LEU A 27 0.975 -0.470 7.526 1.00 51.23 H new ATOM 423 N ALA A 28 -2.263 2.978 9.484 1.00 65.45 N ATOM 424 CA ALA A 28 -3.581 3.568 9.744 1.00 34.11 C ATOM 425 C ALA A 28 -4.379 3.750 8.442 1.00 43.14 C ATOM 426 O ALA A 28 -5.565 3.425 8.376 1.00 72.11 O ATOM 427 CB ALA A 28 -3.428 4.903 10.464 1.00 30.42 C ATOM 0 H ALA A 28 -1.478 3.555 9.786 1.00 65.45 H new ATOM 0 HA ALA A 28 -4.137 2.882 10.383 1.00 34.11 H new ATOM 0 HB1 ALA A 28 -4.413 5.330 10.651 1.00 30.42 H new ATOM 0 HB2 ALA A 28 -2.914 4.748 11.412 1.00 30.42 H new ATOM 0 HB3 ALA A 28 -2.848 5.586 9.844 1.00 30.42 H new ATOM 433 N ALA A 29 -3.726 4.275 7.408 1.00 32.21 N ATOM 434 CA ALA A 29 -4.354 4.419 6.091 1.00 1.32 C ATOM 435 C ALA A 29 -4.638 3.046 5.462 1.00 63.24 C ATOM 436 O ALA A 29 -5.704 2.810 4.892 1.00 44.22 O ATOM 437 CB ALA A 29 -3.458 5.242 5.172 1.00 11.44 C ATOM 0 H ALA A 29 -2.763 4.608 7.453 1.00 32.21 H new ATOM 0 HA ALA A 29 -5.305 4.936 6.221 1.00 1.32 H new ATOM 0 HB1 ALA A 29 -3.933 5.343 4.196 1.00 11.44 H new ATOM 0 HB2 ALA A 29 -3.303 6.230 5.605 1.00 11.44 H new ATOM 0 HB3 ALA A 29 -2.497 4.741 5.057 1.00 11.44 H new ATOM 443 N LEU A 30 -3.666 2.146 5.593 1.00 2.05 N ATOM 444 CA LEU A 30 -3.754 0.787 5.048 1.00 52.34 C ATOM 445 C LEU A 30 -5.002 0.046 5.565 1.00 22.33 C ATOM 446 O LEU A 30 -5.837 -0.406 4.779 1.00 1.03 O ATOM 447 CB LEU A 30 -2.476 0.015 5.420 1.00 11.43 C ATOM 448 CG LEU A 30 -2.334 -1.397 4.830 1.00 33.25 C ATOM 449 CD1 LEU A 30 -2.385 -1.357 3.305 1.00 21.05 C ATOM 450 CD2 LEU A 30 -1.028 -2.031 5.306 1.00 52.50 C ATOM 0 H LEU A 30 -2.791 2.336 6.081 1.00 2.05 H new ATOM 0 HA LEU A 30 -3.846 0.851 3.964 1.00 52.34 H new ATOM 0 HB2 LEU A 30 -1.616 0.605 5.104 1.00 11.43 H new ATOM 0 HB3 LEU A 30 -2.428 -0.062 6.506 1.00 11.43 H new ATOM 0 HG LEU A 30 -3.170 -2.004 5.178 1.00 33.25 H new ATOM 0 HD11 LEU A 30 -2.282 -2.368 2.911 1.00 21.05 H new ATOM 0 HD12 LEU A 30 -3.338 -0.937 2.984 1.00 21.05 H new ATOM 0 HD13 LEU A 30 -1.571 -0.737 2.930 1.00 21.05 H new ATOM 0 HD21 LEU A 30 -0.934 -3.032 4.884 1.00 52.50 H new ATOM 0 HD22 LEU A 30 -0.187 -1.419 4.980 1.00 52.50 H new ATOM 0 HD23 LEU A 30 -1.030 -2.095 6.394 1.00 52.50 H new ATOM 462 N GLU A 31 -5.133 -0.052 6.888 1.00 22.53 N ATOM 463 CA GLU A 31 -6.267 -0.754 7.507 1.00 2.30 C ATOM 464 C GLU A 31 -7.617 -0.114 7.127 1.00 62.41 C ATOM 465 O GLU A 31 -8.592 -0.817 6.851 1.00 4.12 O ATOM 466 CB GLU A 31 -6.107 -0.788 9.038 1.00 52.13 C ATOM 467 CG GLU A 31 -6.079 0.589 9.695 1.00 72.22 C ATOM 468 CD GLU A 31 -5.916 0.522 11.205 1.00 14.33 C ATOM 469 OE1 GLU A 31 -6.923 0.296 11.906 1.00 13.21 O ATOM 470 OE2 GLU A 31 -4.784 0.704 11.703 1.00 62.23 O ATOM 0 H GLU A 31 -4.471 0.344 7.555 1.00 22.53 H new ATOM 0 HA GLU A 31 -6.266 -1.774 7.124 1.00 2.30 H new ATOM 0 HB2 GLU A 31 -6.927 -1.365 9.465 1.00 52.13 H new ATOM 0 HB3 GLU A 31 -5.185 -1.314 9.284 1.00 52.13 H new ATOM 0 HG2 GLU A 31 -5.260 1.171 9.272 1.00 72.22 H new ATOM 0 HG3 GLU A 31 -7.002 1.118 9.458 1.00 72.22 H new ATOM 477 N GLN A 32 -7.666 1.219 7.100 1.00 23.20 N ATOM 478 CA GLN A 32 -8.887 1.944 6.717 1.00 33.25 C ATOM 479 C GLN A 32 -9.214 1.759 5.224 1.00 5.32 C ATOM 480 O GLN A 32 -10.369 1.863 4.815 1.00 3.31 O ATOM 481 CB GLN A 32 -8.745 3.437 7.050 1.00 35.33 C ATOM 482 CG GLN A 32 -8.617 3.718 8.544 1.00 52.10 C ATOM 483 CD GLN A 32 -8.503 5.201 8.860 1.00 31.25 C ATOM 484 OE1 GLN A 32 -9.497 5.879 9.089 1.00 54.32 O ATOM 485 NE2 GLN A 32 -7.290 5.717 8.870 1.00 12.33 N ATOM 0 H GLN A 32 -6.878 1.821 7.338 1.00 23.20 H new ATOM 0 HA GLN A 32 -9.714 1.526 7.291 1.00 33.25 H new ATOM 0 HB2 GLN A 32 -7.869 3.834 6.537 1.00 35.33 H new ATOM 0 HB3 GLN A 32 -9.611 3.972 6.661 1.00 35.33 H new ATOM 0 HG2 GLN A 32 -9.484 3.307 9.061 1.00 52.10 H new ATOM 0 HG3 GLN A 32 -7.740 3.201 8.932 1.00 52.10 H new ATOM 0 HE21 GLN A 32 -6.482 5.125 8.675 1.00 12.33 H new ATOM 0 HE22 GLN A 32 -7.159 6.708 9.073 1.00 12.33 H new ATOM 494 N SER A 33 -8.191 1.489 4.415 1.00 63.32 N ATOM 495 CA SER A 33 -8.378 1.242 2.975 1.00 43.03 C ATOM 496 C SER A 33 -8.563 -0.257 2.677 1.00 11.32 C ATOM 497 O SER A 33 -8.587 -0.674 1.516 1.00 35.14 O ATOM 498 CB SER A 33 -7.174 1.781 2.187 1.00 2.24 C ATOM 499 OG SER A 33 -7.327 1.574 0.789 1.00 52.22 O ATOM 0 H SER A 33 -7.221 1.434 4.727 1.00 63.32 H new ATOM 0 HA SER A 33 -9.283 1.763 2.664 1.00 43.03 H new ATOM 0 HB2 SER A 33 -7.055 2.846 2.387 1.00 2.24 H new ATOM 0 HB3 SER A 33 -6.264 1.289 2.531 1.00 2.24 H new ATOM 0 HG SER A 33 -7.849 0.759 0.634 1.00 52.22 H new ATOM 505 N SER A 34 -8.690 -1.067 3.728 1.00 2.32 N ATOM 506 CA SER A 34 -8.828 -2.525 3.577 1.00 2.45 C ATOM 507 C SER A 34 -10.290 -2.960 3.449 1.00 75.12 C ATOM 508 O SER A 34 -11.194 -2.317 3.988 1.00 11.33 O ATOM 509 CB SER A 34 -8.199 -3.253 4.773 1.00 51.10 C ATOM 510 OG SER A 34 -6.808 -2.992 4.878 1.00 33.34 O ATOM 0 H SER A 34 -8.701 -0.743 4.695 1.00 2.32 H new ATOM 0 HA SER A 34 -8.308 -2.792 2.657 1.00 2.45 H new ATOM 0 HB2 SER A 34 -8.697 -2.941 5.691 1.00 51.10 H new ATOM 0 HB3 SER A 34 -8.361 -4.326 4.671 1.00 51.10 H new ATOM 0 HG SER A 34 -6.654 -2.025 4.853 1.00 33.34 H new ATOM 516 N ASP A 35 -10.514 -4.052 2.726 1.00 44.13 N ATOM 517 CA ASP A 35 -11.826 -4.693 2.673 1.00 25.45 C ATOM 518 C ASP A 35 -12.096 -5.484 3.967 1.00 32.30 C ATOM 519 O ASP A 35 -11.234 -5.567 4.846 1.00 53.45 O ATOM 520 CB ASP A 35 -11.915 -5.620 1.456 1.00 54.34 C ATOM 521 CG ASP A 35 -11.837 -4.865 0.137 1.00 71.35 C ATOM 522 OD1 ASP A 35 -12.708 -4.009 -0.113 1.00 62.44 O ATOM 523 OD2 ASP A 35 -10.919 -5.143 -0.667 1.00 11.22 O ATOM 0 H ASP A 35 -9.800 -4.515 2.165 1.00 44.13 H new ATOM 0 HA ASP A 35 -12.585 -3.917 2.579 1.00 25.45 H new ATOM 0 HB2 ASP A 35 -11.107 -6.350 1.501 1.00 54.34 H new ATOM 0 HB3 ASP A 35 -12.851 -6.177 1.496 1.00 54.34 H new ATOM 528 N ASP A 36 -13.281 -6.084 4.060 1.00 41.54 N ATOM 529 CA ASP A 36 -13.719 -6.781 5.278 1.00 41.43 C ATOM 530 C ASP A 36 -12.697 -7.829 5.782 1.00 2.41 C ATOM 531 O ASP A 36 -12.520 -7.995 6.991 1.00 44.41 O ATOM 532 CB ASP A 36 -15.075 -7.447 5.025 1.00 3.34 C ATOM 533 CG ASP A 36 -15.660 -8.079 6.277 1.00 43.42 C ATOM 534 OD1 ASP A 36 -16.016 -7.333 7.208 1.00 11.14 O ATOM 535 OD2 ASP A 36 -15.782 -9.321 6.331 1.00 12.13 O ATOM 0 H ASP A 36 -13.963 -6.104 3.302 1.00 41.54 H new ATOM 0 HA ASP A 36 -13.805 -6.031 6.064 1.00 41.43 H new ATOM 0 HB2 ASP A 36 -15.773 -6.705 4.637 1.00 3.34 H new ATOM 0 HB3 ASP A 36 -14.962 -8.211 4.256 1.00 3.34 H new ATOM 540 N ALA A 37 -12.023 -8.520 4.862 1.00 43.15 N ATOM 541 CA ALA A 37 -11.087 -9.600 5.232 1.00 30.52 C ATOM 542 C ALA A 37 -9.703 -9.081 5.672 1.00 12.05 C ATOM 543 O ALA A 37 -8.842 -9.867 6.075 1.00 34.11 O ATOM 544 CB ALA A 37 -10.939 -10.582 4.075 1.00 71.45 C ATOM 0 H ALA A 37 -12.102 -8.358 3.858 1.00 43.15 H new ATOM 0 HA ALA A 37 -11.517 -10.106 6.096 1.00 30.52 H new ATOM 0 HB1 ALA A 37 -10.247 -11.375 4.357 1.00 71.45 H new ATOM 0 HB2 ALA A 37 -11.911 -11.016 3.839 1.00 71.45 H new ATOM 0 HB3 ALA A 37 -10.554 -10.058 3.200 1.00 71.45 H new ATOM 550 N GLY A 38 -9.485 -7.769 5.598 1.00 75.24 N ATOM 551 CA GLY A 38 -8.207 -7.197 6.027 1.00 50.15 C ATOM 552 C GLY A 38 -7.158 -7.121 4.918 1.00 52.11 C ATOM 553 O GLY A 38 -5.982 -7.416 5.145 1.00 33.43 O ATOM 0 H GLY A 38 -10.163 -7.091 5.251 1.00 75.24 H new ATOM 0 HA2 GLY A 38 -8.382 -6.194 6.417 1.00 50.15 H new ATOM 0 HA3 GLY A 38 -7.810 -7.794 6.848 1.00 50.15 H new ATOM 557 N TRP A 39 -7.589 -6.736 3.718 1.00 35.51 N ATOM 558 CA TRP A 39 -6.680 -6.510 2.581 1.00 13.02 C ATOM 559 C TRP A 39 -7.019 -5.197 1.858 1.00 4.50 C ATOM 560 O TRP A 39 -8.172 -4.957 1.507 1.00 55.41 O ATOM 561 CB TRP A 39 -6.748 -7.674 1.578 1.00 23.30 C ATOM 562 CG TRP A 39 -6.124 -8.949 2.061 1.00 62.13 C ATOM 563 CD1 TRP A 39 -6.749 -9.988 2.687 1.00 40.44 C ATOM 564 CD2 TRP A 39 -4.745 -9.320 1.943 1.00 22.23 C ATOM 565 NE1 TRP A 39 -5.843 -10.982 2.963 1.00 55.44 N ATOM 566 CE2 TRP A 39 -4.605 -10.595 2.517 1.00 11.13 C ATOM 567 CE3 TRP A 39 -3.614 -8.695 1.404 1.00 50.44 C ATOM 568 CZ2 TRP A 39 -3.381 -11.258 2.569 1.00 4.42 C ATOM 569 CZ3 TRP A 39 -2.399 -9.354 1.456 1.00 63.33 C ATOM 570 CH2 TRP A 39 -2.292 -10.624 2.035 1.00 42.03 C ATOM 0 H TRP A 39 -8.572 -6.571 3.501 1.00 35.51 H new ATOM 0 HA TRP A 39 -5.669 -6.446 2.983 1.00 13.02 H new ATOM 0 HB2 TRP A 39 -7.793 -7.866 1.334 1.00 23.30 H new ATOM 0 HB3 TRP A 39 -6.255 -7.370 0.654 1.00 23.30 H new ATOM 0 HD1 TRP A 39 -7.801 -10.023 2.929 1.00 40.44 H new ATOM 0 HE1 TRP A 39 -6.056 -11.866 3.425 1.00 55.44 H new ATOM 0 HE3 TRP A 39 -3.689 -7.715 0.955 1.00 50.44 H new ATOM 0 HZ2 TRP A 39 -3.294 -12.238 3.015 1.00 4.42 H new ATOM 0 HZ3 TRP A 39 -1.520 -8.882 1.044 1.00 63.33 H new ATOM 0 HH2 TRP A 39 -1.330 -11.114 2.061 1.00 42.03 H new ATOM 581 N ALA A 40 -6.012 -4.356 1.627 1.00 3.35 N ATOM 582 CA ALA A 40 -6.217 -3.060 0.966 1.00 61.14 C ATOM 583 C ALA A 40 -5.655 -3.053 -0.461 1.00 42.04 C ATOM 584 O ALA A 40 -4.485 -3.362 -0.677 1.00 64.20 O ATOM 585 CB ALA A 40 -5.571 -1.951 1.789 1.00 15.20 C ATOM 0 H ALA A 40 -5.044 -4.546 1.887 1.00 3.35 H new ATOM 0 HA ALA A 40 -7.291 -2.887 0.898 1.00 61.14 H new ATOM 0 HB1 ALA A 40 -5.726 -0.993 1.294 1.00 15.20 H new ATOM 0 HB2 ALA A 40 -6.022 -1.924 2.781 1.00 15.20 H new ATOM 0 HB3 ALA A 40 -4.502 -2.142 1.882 1.00 15.20 H new ATOM 591 N ASN A 41 -6.497 -2.698 -1.430 1.00 51.31 N ATOM 592 CA ASN A 41 -6.076 -2.615 -2.835 1.00 13.00 C ATOM 593 C ASN A 41 -5.064 -1.470 -3.038 1.00 12.05 C ATOM 594 O ASN A 41 -5.289 -0.346 -2.588 1.00 4.43 O ATOM 595 CB ASN A 41 -7.309 -2.421 -3.734 1.00 10.33 C ATOM 596 CG ASN A 41 -6.996 -2.479 -5.226 1.00 33.10 C ATOM 597 OD1 ASN A 41 -5.936 -2.058 -5.682 1.00 42.10 O ATOM 598 ND2 ASN A 41 -7.911 -3.022 -6.000 1.00 41.14 N ATOM 0 H ASN A 41 -7.477 -2.462 -1.272 1.00 51.31 H new ATOM 0 HA ASN A 41 -5.581 -3.546 -3.110 1.00 13.00 H new ATOM 0 HB2 ASN A 41 -8.045 -3.189 -3.496 1.00 10.33 H new ATOM 0 HB3 ASN A 41 -7.767 -1.459 -3.505 1.00 10.33 H new ATOM 0 HD21 ASN A 41 -7.748 -3.101 -7.004 1.00 41.14 H new ATOM 0 HD22 ASN A 41 -8.783 -3.364 -5.596 1.00 41.14 H new ATOM 605 N LEU A 42 -3.964 -1.774 -3.735 1.00 22.51 N ATOM 606 CA LEU A 42 -2.868 -0.819 -3.976 1.00 61.24 C ATOM 607 C LEU A 42 -3.371 0.585 -4.366 1.00 3.34 C ATOM 608 O LEU A 42 -2.924 1.587 -3.807 1.00 64.21 O ATOM 609 CB LEU A 42 -1.951 -1.362 -5.081 1.00 3.21 C ATOM 610 CG LEU A 42 -0.766 -0.458 -5.467 1.00 44.43 C ATOM 611 CD1 LEU A 42 0.201 -0.294 -4.295 1.00 13.42 C ATOM 612 CD2 LEU A 42 -0.044 -1.008 -6.698 1.00 24.31 C ATOM 0 H LEU A 42 -3.805 -2.692 -4.151 1.00 22.51 H new ATOM 0 HA LEU A 42 -2.321 -0.714 -3.039 1.00 61.24 H new ATOM 0 HB2 LEU A 42 -1.559 -2.327 -4.761 1.00 3.21 H new ATOM 0 HB3 LEU A 42 -2.553 -1.542 -5.972 1.00 3.21 H new ATOM 0 HG LEU A 42 -1.159 0.527 -5.717 1.00 44.43 H new ATOM 0 HD11 LEU A 42 1.029 0.349 -4.594 1.00 13.42 H new ATOM 0 HD12 LEU A 42 -0.322 0.157 -3.452 1.00 13.42 H new ATOM 0 HD13 LEU A 42 0.587 -1.270 -4.002 1.00 13.42 H new ATOM 0 HD21 LEU A 42 0.790 -0.354 -6.953 1.00 24.31 H new ATOM 0 HD22 LEU A 42 0.332 -2.008 -6.483 1.00 24.31 H new ATOM 0 HD23 LEU A 42 -0.739 -1.054 -7.537 1.00 24.31 H new ATOM 624 N GLY A 43 -4.295 0.648 -5.324 1.00 4.32 N ATOM 625 CA GLY A 43 -4.837 1.932 -5.772 1.00 41.24 C ATOM 626 C GLY A 43 -5.483 2.742 -4.650 1.00 22.11 C ATOM 627 O GLY A 43 -5.148 3.913 -4.438 1.00 55.22 O ATOM 0 H GLY A 43 -4.682 -0.166 -5.802 1.00 4.32 H new ATOM 0 HA2 GLY A 43 -4.036 2.520 -6.220 1.00 41.24 H new ATOM 0 HA3 GLY A 43 -5.576 1.753 -6.553 1.00 41.24 H new ATOM 631 N ASN A 44 -6.401 2.110 -3.922 1.00 43.54 N ATOM 632 CA ASN A 44 -7.099 2.767 -2.810 1.00 70.54 C ATOM 633 C ASN A 44 -6.132 3.109 -1.666 1.00 50.11 C ATOM 634 O ASN A 44 -6.280 4.136 -1.003 1.00 41.25 O ATOM 635 CB ASN A 44 -8.246 1.882 -2.302 1.00 62.31 C ATOM 636 CG ASN A 44 -9.294 1.627 -3.374 1.00 1.31 C ATOM 637 OD1 ASN A 44 -9.499 2.445 -4.264 1.00 63.23 O ATOM 638 ND2 ASN A 44 -9.972 0.500 -3.302 1.00 63.32 N ATOM 0 H ASN A 44 -6.682 1.142 -4.080 1.00 43.54 H new ATOM 0 HA ASN A 44 -7.517 3.703 -3.181 1.00 70.54 H new ATOM 0 HB2 ASN A 44 -7.843 0.930 -1.957 1.00 62.31 H new ATOM 0 HB3 ASN A 44 -8.717 2.359 -1.442 1.00 62.31 H new ATOM 0 HD21 ASN A 44 -10.688 0.290 -3.997 1.00 63.32 H new ATOM 0 HD22 ASN A 44 -9.781 -0.163 -2.551 1.00 63.32 H new ATOM 645 N PHE A 45 -5.133 2.251 -1.457 1.00 72.21 N ATOM 646 CA PHE A 45 -4.095 2.493 -0.451 1.00 61.43 C ATOM 647 C PHE A 45 -3.287 3.753 -0.789 1.00 33.22 C ATOM 648 O PHE A 45 -3.166 4.660 0.031 1.00 45.30 O ATOM 649 CB PHE A 45 -3.163 1.278 -0.344 1.00 11.12 C ATOM 650 CG PHE A 45 -1.955 1.509 0.532 1.00 43.33 C ATOM 651 CD1 PHE A 45 -2.102 1.855 1.867 1.00 11.13 C ATOM 652 CD2 PHE A 45 -0.673 1.374 0.017 1.00 52.31 C ATOM 653 CE1 PHE A 45 -0.997 2.061 2.670 1.00 40.00 C ATOM 654 CE2 PHE A 45 0.435 1.580 0.817 1.00 71.31 C ATOM 655 CZ PHE A 45 0.273 1.922 2.145 1.00 52.12 C ATOM 0 H PHE A 45 -5.019 1.378 -1.973 1.00 72.21 H new ATOM 0 HA PHE A 45 -4.584 2.649 0.511 1.00 61.43 H new ATOM 0 HB2 PHE A 45 -3.728 0.433 0.049 1.00 11.12 H new ATOM 0 HB3 PHE A 45 -2.827 1.001 -1.343 1.00 11.12 H new ATOM 0 HD1 PHE A 45 -3.092 1.965 2.284 1.00 11.13 H new ATOM 0 HD2 PHE A 45 -0.540 1.105 -1.020 1.00 52.31 H new ATOM 0 HE1 PHE A 45 -1.126 2.331 3.708 1.00 40.00 H new ATOM 0 HE2 PHE A 45 1.427 1.474 0.404 1.00 71.31 H new ATOM 0 HZ PHE A 45 1.138 2.081 2.772 1.00 52.12 H new ATOM 665 N GLY A 46 -2.742 3.807 -2.004 1.00 44.15 N ATOM 666 CA GLY A 46 -1.998 4.986 -2.444 1.00 22.33 C ATOM 667 C GLY A 46 -2.838 6.262 -2.422 1.00 52.11 C ATOM 668 O GLY A 46 -2.308 7.371 -2.301 1.00 34.53 O ATOM 0 H GLY A 46 -2.800 3.058 -2.694 1.00 44.15 H new ATOM 0 HA2 GLY A 46 -1.127 5.120 -1.803 1.00 22.33 H new ATOM 0 HA3 GLY A 46 -1.627 4.819 -3.455 1.00 22.33 H new ATOM 672 N ASN A 47 -4.153 6.100 -2.538 1.00 74.40 N ATOM 673 CA ASN A 47 -5.089 7.225 -2.476 1.00 32.42 C ATOM 674 C ASN A 47 -5.269 7.707 -1.024 1.00 44.21 C ATOM 675 O ASN A 47 -4.942 8.848 -0.687 1.00 42.21 O ATOM 676 CB ASN A 47 -6.442 6.795 -3.065 1.00 54.12 C ATOM 677 CG ASN A 47 -7.409 7.948 -3.270 1.00 44.41 C ATOM 678 OD1 ASN A 47 -7.346 8.972 -2.595 1.00 43.03 O ATOM 679 ND2 ASN A 47 -8.327 7.784 -4.200 1.00 63.31 N ATOM 0 H ASN A 47 -4.600 5.194 -2.677 1.00 74.40 H new ATOM 0 HA ASN A 47 -4.685 8.053 -3.059 1.00 32.42 H new ATOM 0 HB2 ASN A 47 -6.272 6.300 -4.021 1.00 54.12 H new ATOM 0 HB3 ASN A 47 -6.900 6.061 -2.403 1.00 54.12 H new ATOM 0 HD21 ASN A 47 -9.012 8.519 -4.376 1.00 63.31 H new ATOM 0 HD22 ASN A 47 -8.353 6.922 -4.744 1.00 63.31 H new ATOM 686 N TYR A 48 -5.767 6.816 -0.163 1.00 64.32 N ATOM 687 CA TYR A 48 -6.084 7.165 1.229 1.00 62.23 C ATOM 688 C TYR A 48 -4.815 7.503 2.031 1.00 31.42 C ATOM 689 O TYR A 48 -4.844 8.342 2.936 1.00 52.20 O ATOM 690 CB TYR A 48 -6.854 6.016 1.901 1.00 13.33 C ATOM 691 CG TYR A 48 -7.607 6.432 3.153 1.00 23.20 C ATOM 692 CD1 TYR A 48 -8.832 7.083 3.059 1.00 34.21 C ATOM 693 CD2 TYR A 48 -7.100 6.180 4.422 1.00 50.04 C ATOM 694 CE1 TYR A 48 -9.525 7.472 4.187 1.00 44.52 C ATOM 695 CE2 TYR A 48 -7.787 6.568 5.555 1.00 34.03 C ATOM 696 CZ TYR A 48 -8.999 7.211 5.431 1.00 44.12 C ATOM 697 OH TYR A 48 -9.686 7.598 6.558 1.00 14.41 O ATOM 0 H TYR A 48 -5.961 5.844 -0.404 1.00 64.32 H new ATOM 0 HA TYR A 48 -6.712 8.056 1.216 1.00 62.23 H new ATOM 0 HB2 TYR A 48 -7.561 5.598 1.185 1.00 13.33 H new ATOM 0 HB3 TYR A 48 -6.153 5.222 2.157 1.00 13.33 H new ATOM 0 HD1 TYR A 48 -9.249 7.288 2.084 1.00 34.21 H new ATOM 0 HD2 TYR A 48 -6.152 5.672 4.524 1.00 50.04 H new ATOM 0 HE1 TYR A 48 -10.474 7.978 4.094 1.00 44.52 H new ATOM 0 HE2 TYR A 48 -7.376 6.368 6.534 1.00 34.03 H new ATOM 0 HH TYR A 48 -9.601 6.906 7.247 1.00 14.41 H new ATOM 707 N LEU A 49 -3.704 6.852 1.691 1.00 33.00 N ATOM 708 CA LEU A 49 -2.415 7.126 2.335 1.00 41.31 C ATOM 709 C LEU A 49 -2.008 8.595 2.166 1.00 41.45 C ATOM 710 O LEU A 49 -1.608 9.251 3.128 1.00 63.14 O ATOM 711 CB LEU A 49 -1.322 6.211 1.759 1.00 51.13 C ATOM 712 CG LEU A 49 0.100 6.455 2.296 1.00 41.35 C ATOM 713 CD1 LEU A 49 0.149 6.272 3.809 1.00 64.12 C ATOM 714 CD2 LEU A 49 1.103 5.531 1.608 1.00 35.34 C ATOM 0 H LEU A 49 -3.668 6.129 0.972 1.00 33.00 H new ATOM 0 HA LEU A 49 -2.527 6.923 3.400 1.00 41.31 H new ATOM 0 HB2 LEU A 49 -1.595 5.176 1.963 1.00 51.13 H new ATOM 0 HB3 LEU A 49 -1.307 6.330 0.676 1.00 51.13 H new ATOM 0 HG LEU A 49 0.374 7.486 2.071 1.00 41.35 H new ATOM 0 HD11 LEU A 49 1.164 6.450 4.164 1.00 64.12 H new ATOM 0 HD12 LEU A 49 -0.531 6.980 4.283 1.00 64.12 H new ATOM 0 HD13 LEU A 49 -0.151 5.255 4.062 1.00 64.12 H new ATOM 0 HD21 LEU A 49 2.102 5.720 2.002 1.00 35.34 H new ATOM 0 HD22 LEU A 49 0.829 4.493 1.796 1.00 35.34 H new ATOM 0 HD23 LEU A 49 1.095 5.720 0.535 1.00 35.34 H new ATOM 726 N ASN A 50 -2.127 9.109 0.942 1.00 43.51 N ATOM 727 CA ASN A 50 -1.757 10.496 0.647 1.00 72.24 C ATOM 728 C ASN A 50 -2.671 11.488 1.384 1.00 23.33 C ATOM 729 O ASN A 50 -2.277 12.622 1.664 1.00 74.44 O ATOM 730 CB ASN A 50 -1.797 10.746 -0.866 1.00 5.23 C ATOM 731 CG ASN A 50 -1.211 12.095 -1.243 1.00 54.21 C ATOM 732 OD1 ASN A 50 -1.919 13.088 -1.357 1.00 54.23 O ATOM 733 ND2 ASN A 50 0.094 12.144 -1.427 1.00 22.24 N ATOM 0 H ASN A 50 -2.476 8.587 0.138 1.00 43.51 H new ATOM 0 HA ASN A 50 -0.739 10.657 1.003 1.00 72.24 H new ATOM 0 HB2 ASN A 50 -1.245 9.957 -1.377 1.00 5.23 H new ATOM 0 HB3 ASN A 50 -2.828 10.690 -1.214 1.00 5.23 H new ATOM 0 HD21 ASN A 50 0.542 13.027 -1.672 1.00 22.24 H new ATOM 0 HD22 ASN A 50 0.656 11.299 -1.324 1.00 22.24 H new ATOM 740 N LYS A 51 -3.892 11.057 1.700 1.00 44.52 N ATOM 741 CA LYS A 51 -4.822 11.884 2.475 1.00 42.12 C ATOM 742 C LYS A 51 -4.286 12.129 3.897 1.00 11.22 C ATOM 743 O LYS A 51 -4.415 13.227 4.441 1.00 15.23 O ATOM 744 CB LYS A 51 -6.204 11.215 2.550 1.00 11.52 C ATOM 745 CG LYS A 51 -6.840 10.934 1.187 1.00 54.24 C ATOM 746 CD LYS A 51 -8.224 10.295 1.327 1.00 41.11 C ATOM 747 CE LYS A 51 -9.223 11.236 1.997 1.00 63.20 C ATOM 748 NZ LYS A 51 -10.551 10.592 2.205 1.00 55.52 N ATOM 0 H LYS A 51 -4.261 10.144 1.433 1.00 44.52 H new ATOM 0 HA LYS A 51 -4.917 12.844 1.968 1.00 42.12 H new ATOM 0 HB2 LYS A 51 -6.111 10.276 3.096 1.00 11.52 H new ATOM 0 HB3 LYS A 51 -6.874 11.854 3.126 1.00 11.52 H new ATOM 0 HG2 LYS A 51 -6.924 11.865 0.626 1.00 54.24 H new ATOM 0 HG3 LYS A 51 -6.191 10.273 0.612 1.00 54.24 H new ATOM 0 HD2 LYS A 51 -8.595 10.014 0.341 1.00 41.11 H new ATOM 0 HD3 LYS A 51 -8.143 9.378 1.910 1.00 41.11 H new ATOM 0 HE2 LYS A 51 -8.825 11.562 2.958 1.00 63.20 H new ATOM 0 HE3 LYS A 51 -9.346 12.129 1.384 1.00 63.20 H new ATOM 0 HZ1 LYS A 51 -11.196 11.267 2.662 1.00 55.52 H new ATOM 0 HZ2 LYS A 51 -10.945 10.304 1.287 1.00 55.52 H new ATOM 0 HZ3 LYS A 51 -10.440 9.755 2.812 1.00 55.52 H new ATOM 762 N LEU A 52 -3.689 11.098 4.495 1.00 24.14 N ATOM 763 CA LEU A 52 -3.122 11.210 5.843 1.00 12.44 C ATOM 764 C LEU A 52 -1.693 11.778 5.805 1.00 21.15 C ATOM 765 O LEU A 52 -1.327 12.626 6.621 1.00 40.43 O ATOM 766 CB LEU A 52 -3.121 9.840 6.539 1.00 73.43 C ATOM 767 CG LEU A 52 -4.491 9.141 6.642 1.00 64.34 C ATOM 768 CD1 LEU A 52 -4.395 7.888 7.513 1.00 11.43 C ATOM 769 CD2 LEU A 52 -5.554 10.097 7.181 1.00 52.31 C ATOM 0 H LEU A 52 -3.585 10.177 4.070 1.00 24.14 H new ATOM 0 HA LEU A 52 -3.748 11.900 6.409 1.00 12.44 H new ATOM 0 HB2 LEU A 52 -2.437 9.182 6.003 1.00 73.43 H new ATOM 0 HB3 LEU A 52 -2.721 9.965 7.545 1.00 73.43 H new ATOM 0 HG LEU A 52 -4.791 8.837 5.639 1.00 64.34 H new ATOM 0 HD11 LEU A 52 -5.373 7.410 7.572 1.00 11.43 H new ATOM 0 HD12 LEU A 52 -3.678 7.194 7.074 1.00 11.43 H new ATOM 0 HD13 LEU A 52 -4.065 8.165 8.514 1.00 11.43 H new ATOM 0 HD21 LEU A 52 -6.511 9.579 7.244 1.00 52.31 H new ATOM 0 HD22 LEU A 52 -5.263 10.443 8.173 1.00 52.31 H new ATOM 0 HD23 LEU A 52 -5.648 10.952 6.511 1.00 52.31 H new ATOM 781 N GLN A 53 -0.892 11.307 4.850 1.00 64.53 N ATOM 782 CA GLN A 53 0.502 11.751 4.693 1.00 41.53 C ATOM 783 C GLN A 53 0.799 12.233 3.260 1.00 44.25 C ATOM 784 O GLN A 53 1.233 11.454 2.412 1.00 24.11 O ATOM 785 CB GLN A 53 1.475 10.617 5.070 1.00 42.43 C ATOM 786 CG GLN A 53 1.527 10.303 6.562 1.00 4.54 C ATOM 787 CD GLN A 53 2.015 11.479 7.396 1.00 74.25 C ATOM 788 OE1 GLN A 53 3.209 11.651 7.618 1.00 54.43 O ATOM 789 NE2 GLN A 53 1.098 12.296 7.869 1.00 14.34 N ATOM 0 H GLN A 53 -1.184 10.611 4.164 1.00 64.53 H new ATOM 0 HA GLN A 53 0.646 12.595 5.367 1.00 41.53 H new ATOM 0 HB2 GLN A 53 1.188 9.714 4.531 1.00 42.43 H new ATOM 0 HB3 GLN A 53 2.476 10.886 4.732 1.00 42.43 H new ATOM 0 HG2 GLN A 53 0.534 10.010 6.902 1.00 4.54 H new ATOM 0 HG3 GLN A 53 2.185 9.449 6.726 1.00 4.54 H new ATOM 0 HE21 GLN A 53 0.112 12.128 7.668 1.00 14.34 H new ATOM 0 HE22 GLN A 53 1.373 13.098 8.437 1.00 14.34 H new ATOM 798 N PRO A 54 0.563 13.528 2.967 1.00 13.33 N ATOM 799 CA PRO A 54 0.912 14.121 1.659 1.00 31.13 C ATOM 800 C PRO A 54 2.432 14.278 1.483 1.00 72.21 C ATOM 801 O PRO A 54 2.944 14.365 0.364 1.00 31.30 O ATOM 802 CB PRO A 54 0.223 15.492 1.702 1.00 33.20 C ATOM 803 CG PRO A 54 0.118 15.822 3.154 1.00 70.23 C ATOM 804 CD PRO A 54 -0.077 14.509 3.869 1.00 3.34 C ATOM 0 HA PRO A 54 0.594 13.499 0.822 1.00 31.13 H new ATOM 0 HB2 PRO A 54 0.804 16.243 1.167 1.00 33.20 H new ATOM 0 HB3 PRO A 54 -0.760 15.455 1.233 1.00 33.20 H new ATOM 0 HG2 PRO A 54 1.018 16.327 3.505 1.00 70.23 H new ATOM 0 HG3 PRO A 54 -0.718 16.495 3.341 1.00 70.23 H new ATOM 0 HD2 PRO A 54 0.391 14.514 4.853 1.00 3.34 H new ATOM 0 HD3 PRO A 54 -1.133 14.287 4.020 1.00 3.34 H new ATOM 812 N ASP A 55 3.141 14.297 2.610 1.00 43.00 N ATOM 813 CA ASP A 55 4.599 14.444 2.637 1.00 4.04 C ATOM 814 C ASP A 55 5.312 13.118 2.305 1.00 44.22 C ATOM 815 O ASP A 55 6.511 13.098 2.020 1.00 44.15 O ATOM 816 CB ASP A 55 5.015 14.954 4.028 1.00 42.24 C ATOM 817 CG ASP A 55 6.518 15.116 4.193 1.00 44.25 C ATOM 818 OD1 ASP A 55 7.133 15.856 3.395 1.00 23.43 O ATOM 819 OD2 ASP A 55 7.087 14.520 5.134 1.00 44.14 O ATOM 0 H ASP A 55 2.721 14.211 3.535 1.00 43.00 H new ATOM 0 HA ASP A 55 4.898 15.161 1.873 1.00 4.04 H new ATOM 0 HB2 ASP A 55 4.532 15.913 4.213 1.00 42.24 H new ATOM 0 HB3 ASP A 55 4.648 14.261 4.785 1.00 42.24 H new ATOM 824 N PHE A 56 4.565 12.016 2.312 1.00 64.23 N ATOM 825 CA PHE A 56 5.150 10.690 2.098 1.00 21.13 C ATOM 826 C PHE A 56 5.395 10.424 0.599 1.00 21.10 C ATOM 827 O PHE A 56 4.479 10.061 -0.145 1.00 55.24 O ATOM 828 CB PHE A 56 4.226 9.624 2.709 1.00 43.24 C ATOM 829 CG PHE A 56 4.797 8.227 2.706 1.00 43.45 C ATOM 830 CD1 PHE A 56 5.757 7.851 3.637 1.00 22.11 C ATOM 831 CD2 PHE A 56 4.363 7.287 1.784 1.00 13.31 C ATOM 832 CE1 PHE A 56 6.276 6.569 3.640 1.00 32.33 C ATOM 833 CE2 PHE A 56 4.879 6.006 1.782 1.00 52.01 C ATOM 834 CZ PHE A 56 5.834 5.645 2.712 1.00 23.35 C ATOM 0 H PHE A 56 3.556 12.012 2.463 1.00 64.23 H new ATOM 0 HA PHE A 56 6.120 10.645 2.592 1.00 21.13 H new ATOM 0 HB2 PHE A 56 3.995 9.907 3.736 1.00 43.24 H new ATOM 0 HB3 PHE A 56 3.284 9.619 2.160 1.00 43.24 H new ATOM 0 HD1 PHE A 56 6.102 8.568 4.367 1.00 22.11 H new ATOM 0 HD2 PHE A 56 3.612 7.560 1.058 1.00 13.31 H new ATOM 0 HE1 PHE A 56 7.025 6.290 4.366 1.00 32.33 H new ATOM 0 HE2 PHE A 56 4.536 5.287 1.053 1.00 52.01 H new ATOM 0 HZ PHE A 56 6.235 4.642 2.714 1.00 23.35 H new ATOM 844 N ASP A 57 6.642 10.610 0.166 1.00 73.34 N ATOM 845 CA ASP A 57 7.016 10.458 -1.246 1.00 41.12 C ATOM 846 C ASP A 57 8.047 9.332 -1.442 1.00 13.40 C ATOM 847 O ASP A 57 9.026 9.231 -0.703 1.00 50.33 O ATOM 848 CB ASP A 57 7.572 11.783 -1.779 1.00 64.43 C ATOM 849 CG ASP A 57 8.101 11.659 -3.194 1.00 43.30 C ATOM 850 OD1 ASP A 57 7.284 11.499 -4.124 1.00 12.13 O ATOM 851 OD2 ASP A 57 9.334 11.697 -3.381 1.00 2.14 O ATOM 0 H ASP A 57 7.418 10.868 0.776 1.00 73.34 H new ATOM 0 HA ASP A 57 6.121 10.186 -1.806 1.00 41.12 H new ATOM 0 HB2 ASP A 57 6.788 12.540 -1.752 1.00 64.43 H new ATOM 0 HB3 ASP A 57 8.372 12.128 -1.124 1.00 64.43 H new ATOM 856 N SER A 58 7.832 8.509 -2.469 1.00 14.32 N ATOM 857 CA SER A 58 8.682 7.334 -2.726 1.00 25.02 C ATOM 858 C SER A 58 10.102 7.715 -3.180 1.00 62.12 C ATOM 859 O SER A 58 11.061 6.984 -2.913 1.00 23.13 O ATOM 860 CB SER A 58 8.031 6.427 -3.778 1.00 61.34 C ATOM 861 OG SER A 58 6.768 5.952 -3.336 1.00 21.10 O ATOM 0 H SER A 58 7.075 8.631 -3.142 1.00 14.32 H new ATOM 0 HA SER A 58 8.774 6.801 -1.780 1.00 25.02 H new ATOM 0 HB2 SER A 58 7.909 6.977 -4.711 1.00 61.34 H new ATOM 0 HB3 SER A 58 8.687 5.582 -3.989 1.00 61.34 H new ATOM 0 HG SER A 58 6.071 6.248 -3.958 1.00 21.10 H new ATOM 867 N ARG A 59 10.248 8.854 -3.860 1.00 74.55 N ATOM 868 CA ARG A 59 11.571 9.293 -4.331 1.00 14.44 C ATOM 869 C ARG A 59 12.447 9.761 -3.158 1.00 34.13 C ATOM 870 O ARG A 59 13.675 9.782 -3.255 1.00 74.13 O ATOM 871 CB ARG A 59 11.444 10.411 -5.374 1.00 15.11 C ATOM 872 CG ARG A 59 10.612 10.032 -6.595 1.00 53.32 C ATOM 873 CD ARG A 59 11.177 8.817 -7.323 1.00 54.14 C ATOM 874 NE ARG A 59 12.561 9.019 -7.751 1.00 21.50 N ATOM 875 CZ ARG A 59 12.925 9.282 -8.979 1.00 34.14 C ATOM 876 NH1 ARG A 59 12.042 9.382 -9.924 1.00 55.42 N ATOM 877 NH2 ARG A 59 14.179 9.430 -9.261 1.00 62.33 N ATOM 0 H ARG A 59 9.481 9.484 -4.096 1.00 74.55 H new ATOM 0 HA ARG A 59 12.052 8.436 -4.802 1.00 14.44 H new ATOM 0 HB2 ARG A 59 10.998 11.286 -4.901 1.00 15.11 H new ATOM 0 HB3 ARG A 59 12.442 10.701 -5.703 1.00 15.11 H new ATOM 0 HG2 ARG A 59 9.588 9.824 -6.284 1.00 53.32 H new ATOM 0 HG3 ARG A 59 10.571 10.878 -7.281 1.00 53.32 H new ATOM 0 HD2 ARG A 59 11.125 7.947 -6.668 1.00 54.14 H new ATOM 0 HD3 ARG A 59 10.558 8.598 -8.193 1.00 54.14 H new ATOM 0 HE ARG A 59 13.292 8.950 -7.043 1.00 21.50 H new ATOM 0 HH11 ARG A 59 11.052 9.255 -9.713 1.00 55.42 H new ATOM 0 HH12 ARG A 59 12.337 9.588 -10.878 1.00 55.42 H new ATOM 0 HH21 ARG A 59 14.881 9.341 -8.526 1.00 62.33 H new ATOM 0 HH22 ARG A 59 14.466 9.635 -10.218 1.00 62.33 H new ATOM 891 N LEU A 60 11.805 10.134 -2.051 1.00 74.33 N ATOM 892 CA LEU A 60 12.523 10.449 -0.809 1.00 11.23 C ATOM 893 C LEU A 60 13.221 9.199 -0.251 1.00 53.33 C ATOM 894 O LEU A 60 14.179 9.295 0.513 1.00 13.32 O ATOM 895 CB LEU A 60 11.557 11.013 0.245 1.00 41.43 C ATOM 896 CG LEU A 60 10.864 12.335 -0.125 1.00 40.14 C ATOM 897 CD1 LEU A 60 9.910 12.772 0.984 1.00 1.32 C ATOM 898 CD2 LEU A 60 11.895 13.423 -0.414 1.00 65.23 C ATOM 0 H LEU A 60 10.791 10.226 -1.985 1.00 74.33 H new ATOM 0 HA LEU A 60 13.277 11.201 -1.040 1.00 11.23 H new ATOM 0 HB2 LEU A 60 10.789 10.265 0.445 1.00 41.43 H new ATOM 0 HB3 LEU A 60 12.108 11.160 1.174 1.00 41.43 H new ATOM 0 HG LEU A 60 10.280 12.173 -1.031 1.00 40.14 H new ATOM 0 HD11 LEU A 60 9.430 13.709 0.703 1.00 1.32 H new ATOM 0 HD12 LEU A 60 9.150 12.005 1.133 1.00 1.32 H new ATOM 0 HD13 LEU A 60 10.468 12.914 1.909 1.00 1.32 H new ATOM 0 HD21 LEU A 60 11.383 14.350 -0.674 1.00 65.23 H new ATOM 0 HD22 LEU A 60 12.511 13.584 0.470 1.00 65.23 H new ATOM 0 HD23 LEU A 60 12.528 13.113 -1.246 1.00 65.23 H new ATOM 910 N TYR A 61 12.719 8.026 -0.632 1.00 73.21 N ATOM 911 CA TYR A 61 13.310 6.751 -0.210 1.00 73.41 C ATOM 912 C TYR A 61 14.122 6.104 -1.346 1.00 65.22 C ATOM 913 O TYR A 61 14.885 5.163 -1.117 1.00 30.02 O ATOM 914 CB TYR A 61 12.210 5.800 0.272 1.00 65.52 C ATOM 915 CG TYR A 61 11.377 6.371 1.407 1.00 31.31 C ATOM 916 CD1 TYR A 61 11.744 6.177 2.734 1.00 45.43 C ATOM 917 CD2 TYR A 61 10.229 7.112 1.150 1.00 34.51 C ATOM 918 CE1 TYR A 61 10.988 6.700 3.767 1.00 44.33 C ATOM 919 CE2 TYR A 61 9.471 7.639 2.178 1.00 32.35 C ATOM 920 CZ TYR A 61 9.855 7.431 3.485 1.00 43.31 C ATOM 921 OH TYR A 61 9.101 7.952 4.513 1.00 21.22 O ATOM 0 H TYR A 61 11.902 7.929 -1.234 1.00 73.21 H new ATOM 0 HA TYR A 61 13.996 6.950 0.613 1.00 73.41 H new ATOM 0 HB2 TYR A 61 11.555 5.560 -0.565 1.00 65.52 H new ATOM 0 HB3 TYR A 61 12.665 4.865 0.599 1.00 65.52 H new ATOM 0 HD1 TYR A 61 12.634 5.609 2.962 1.00 45.43 H new ATOM 0 HD2 TYR A 61 9.924 7.279 0.127 1.00 34.51 H new ATOM 0 HE1 TYR A 61 11.285 6.536 4.792 1.00 44.33 H new ATOM 0 HE2 TYR A 61 8.582 8.211 1.958 1.00 32.35 H new ATOM 0 HH TYR A 61 9.612 7.908 5.348 1.00 21.22 H new ATOM 931 N GLY A 62 13.948 6.612 -2.567 1.00 74.32 N ATOM 932 CA GLY A 62 14.731 6.131 -3.709 1.00 71.10 C ATOM 933 C GLY A 62 13.991 5.134 -4.602 1.00 60.21 C ATOM 934 O GLY A 62 14.609 4.448 -5.420 1.00 25.14 O ATOM 0 H GLY A 62 13.279 7.349 -2.791 1.00 74.32 H new ATOM 0 HA2 GLY A 62 15.035 6.986 -4.313 1.00 71.10 H new ATOM 0 HA3 GLY A 62 15.643 5.662 -3.338 1.00 71.10 H new ATOM 938 N TYR A 63 12.670 5.059 -4.463 1.00 13.54 N ATOM 939 CA TYR A 63 11.861 4.114 -5.247 1.00 41.14 C ATOM 940 C TYR A 63 11.118 4.810 -6.395 1.00 74.22 C ATOM 941 O TYR A 63 10.675 5.949 -6.261 1.00 11.54 O ATOM 942 CB TYR A 63 10.857 3.398 -4.338 1.00 70.13 C ATOM 943 CG TYR A 63 11.510 2.482 -3.322 1.00 63.50 C ATOM 944 CD1 TYR A 63 12.075 2.993 -2.157 1.00 42.32 C ATOM 945 CD2 TYR A 63 11.566 1.109 -3.530 1.00 44.12 C ATOM 946 CE1 TYR A 63 12.672 2.163 -1.231 1.00 14.23 C ATOM 947 CE2 TYR A 63 12.161 0.272 -2.607 1.00 12.14 C ATOM 948 CZ TYR A 63 12.713 0.805 -1.459 1.00 51.32 C ATOM 949 OH TYR A 63 13.310 -0.022 -0.532 1.00 33.30 O ATOM 0 H TYR A 63 12.133 5.638 -3.818 1.00 13.54 H new ATOM 0 HA TYR A 63 12.544 3.386 -5.685 1.00 41.14 H new ATOM 0 HB2 TYR A 63 10.259 4.143 -3.813 1.00 70.13 H new ATOM 0 HB3 TYR A 63 10.172 2.815 -4.954 1.00 70.13 H new ATOM 0 HD1 TYR A 63 12.045 4.057 -1.975 1.00 42.32 H new ATOM 0 HD2 TYR A 63 11.137 0.690 -4.428 1.00 44.12 H new ATOM 0 HE1 TYR A 63 13.105 2.576 -0.332 1.00 14.23 H new ATOM 0 HE2 TYR A 63 12.194 -0.793 -2.782 1.00 12.14 H new ATOM 0 HH TYR A 63 13.256 -0.951 -0.839 1.00 33.30 H new ATOM 959 N LYS A 64 10.978 4.102 -7.517 1.00 32.13 N ATOM 960 CA LYS A 64 10.289 4.631 -8.703 1.00 0.35 C ATOM 961 C LYS A 64 8.824 4.984 -8.401 1.00 50.40 C ATOM 962 O LYS A 64 8.306 5.988 -8.886 1.00 42.11 O ATOM 963 CB LYS A 64 10.344 3.603 -9.844 1.00 42.03 C ATOM 964 CG LYS A 64 11.757 3.239 -10.293 1.00 22.42 C ATOM 965 CD LYS A 64 12.493 4.435 -10.891 1.00 72.44 C ATOM 966 CE LYS A 64 13.842 4.032 -11.482 1.00 71.05 C ATOM 967 NZ LYS A 64 13.690 3.021 -12.564 1.00 23.43 N ATOM 0 H LYS A 64 11.334 3.153 -7.633 1.00 32.13 H new ATOM 0 HA LYS A 64 10.802 5.545 -9.001 1.00 0.35 H new ATOM 0 HB2 LYS A 64 9.831 2.695 -9.525 1.00 42.03 H new ATOM 0 HB3 LYS A 64 9.794 3.996 -10.699 1.00 42.03 H new ATOM 0 HG2 LYS A 64 12.320 2.855 -9.442 1.00 22.42 H new ATOM 0 HG3 LYS A 64 11.708 2.438 -11.030 1.00 22.42 H new ATOM 0 HD2 LYS A 64 11.877 4.890 -11.667 1.00 72.44 H new ATOM 0 HD3 LYS A 64 12.645 5.191 -10.121 1.00 72.44 H new ATOM 0 HE2 LYS A 64 14.344 4.915 -11.877 1.00 71.05 H new ATOM 0 HE3 LYS A 64 14.478 3.629 -10.694 1.00 71.05 H new ATOM 0 HZ1 LYS A 64 14.550 3.007 -13.149 1.00 23.43 H new ATOM 0 HZ2 LYS A 64 13.543 2.082 -12.143 1.00 23.43 H new ATOM 0 HZ3 LYS A 64 12.872 3.267 -13.157 1.00 23.43 H new ATOM 981 N LYS A 65 8.168 4.147 -7.600 1.00 53.25 N ATOM 982 CA LYS A 65 6.755 4.340 -7.256 1.00 64.43 C ATOM 983 C LYS A 65 6.406 3.653 -5.925 1.00 72.53 C ATOM 984 O LYS A 65 7.070 2.693 -5.519 1.00 22.54 O ATOM 985 CB LYS A 65 5.855 3.789 -8.376 1.00 15.35 C ATOM 986 CG LYS A 65 6.051 2.298 -8.648 1.00 63.12 C ATOM 987 CD LYS A 65 5.067 1.769 -9.696 1.00 74.54 C ATOM 988 CE LYS A 65 5.323 2.348 -11.086 1.00 24.03 C ATOM 989 NZ LYS A 65 4.349 1.831 -12.085 1.00 50.41 N ATOM 0 H LYS A 65 8.592 3.323 -7.173 1.00 53.25 H new ATOM 0 HA LYS A 65 6.582 5.410 -7.145 1.00 64.43 H new ATOM 0 HB2 LYS A 65 4.812 3.967 -8.112 1.00 15.35 H new ATOM 0 HB3 LYS A 65 6.051 4.345 -9.293 1.00 15.35 H new ATOM 0 HG2 LYS A 65 7.071 2.123 -8.989 1.00 63.12 H new ATOM 0 HG3 LYS A 65 5.925 1.741 -7.720 1.00 63.12 H new ATOM 0 HD2 LYS A 65 5.138 0.682 -9.740 1.00 74.54 H new ATOM 0 HD3 LYS A 65 4.049 2.009 -9.388 1.00 74.54 H new ATOM 0 HE2 LYS A 65 5.260 3.435 -11.045 1.00 24.03 H new ATOM 0 HE3 LYS A 65 6.336 2.100 -11.403 1.00 24.03 H new ATOM 0 HZ1 LYS A 65 4.554 2.246 -13.016 1.00 50.41 H new ATOM 0 HZ2 LYS A 65 4.427 0.796 -12.142 1.00 50.41 H new ATOM 0 HZ3 LYS A 65 3.384 2.090 -11.795 1.00 50.41 H new ATOM 1003 N LEU A 66 5.355 4.144 -5.261 1.00 53.35 N ATOM 1004 CA LEU A 66 4.883 3.571 -3.989 1.00 1.35 C ATOM 1005 C LEU A 66 4.725 2.042 -4.067 1.00 10.53 C ATOM 1006 O LEU A 66 5.074 1.322 -3.131 1.00 5.44 O ATOM 1007 CB LEU A 66 3.545 4.211 -3.585 1.00 25.11 C ATOM 1008 CG LEU A 66 2.936 3.693 -2.270 1.00 3.32 C ATOM 1009 CD1 LEU A 66 3.861 3.978 -1.090 1.00 0.23 C ATOM 1010 CD2 LEU A 66 1.555 4.300 -2.037 1.00 53.53 C ATOM 0 H LEU A 66 4.809 4.943 -5.584 1.00 53.35 H new ATOM 0 HA LEU A 66 5.639 3.789 -3.234 1.00 1.35 H new ATOM 0 HB2 LEU A 66 3.688 5.288 -3.500 1.00 25.11 H new ATOM 0 HB3 LEU A 66 2.826 4.047 -4.388 1.00 25.11 H new ATOM 0 HG LEU A 66 2.822 2.612 -2.354 1.00 3.32 H new ATOM 0 HD11 LEU A 66 3.407 3.602 -0.173 1.00 0.23 H new ATOM 0 HD12 LEU A 66 4.819 3.483 -1.251 1.00 0.23 H new ATOM 0 HD13 LEU A 66 4.019 5.053 -1.003 1.00 0.23 H new ATOM 0 HD21 LEU A 66 1.144 3.920 -1.102 1.00 53.53 H new ATOM 0 HD22 LEU A 66 1.639 5.385 -1.982 1.00 53.53 H new ATOM 0 HD23 LEU A 66 0.895 4.029 -2.861 1.00 53.53 H new ATOM 1022 N SER A 67 4.197 1.557 -5.191 1.00 1.24 N ATOM 1023 CA SER A 67 4.025 0.112 -5.415 1.00 41.22 C ATOM 1024 C SER A 67 5.324 -0.664 -5.158 1.00 62.52 C ATOM 1025 O SER A 67 5.333 -1.647 -4.413 1.00 45.34 O ATOM 1026 CB SER A 67 3.547 -0.153 -6.851 1.00 44.43 C ATOM 1027 OG SER A 67 3.513 -1.544 -7.140 1.00 33.33 O ATOM 0 H SER A 67 3.879 2.141 -5.965 1.00 1.24 H new ATOM 0 HA SER A 67 3.274 -0.237 -4.707 1.00 41.22 H new ATOM 0 HB2 SER A 67 2.553 0.273 -6.989 1.00 44.43 H new ATOM 0 HB3 SER A 67 4.210 0.350 -7.555 1.00 44.43 H new ATOM 0 HG SER A 67 3.204 -1.680 -8.060 1.00 33.33 H new ATOM 1033 N ASP A 68 6.425 -0.203 -5.759 1.00 74.42 N ATOM 1034 CA ASP A 68 7.714 -0.889 -5.639 1.00 41.21 C ATOM 1035 C ASP A 68 8.235 -0.807 -4.196 1.00 14.13 C ATOM 1036 O ASP A 68 8.836 -1.752 -3.682 1.00 44.24 O ATOM 1037 CB ASP A 68 8.728 -0.281 -6.615 1.00 43.24 C ATOM 1038 CG ASP A 68 9.978 -1.133 -6.757 1.00 63.34 C ATOM 1039 OD1 ASP A 68 9.838 -2.352 -7.019 1.00 40.45 O ATOM 1040 OD2 ASP A 68 11.096 -0.589 -6.652 1.00 32.31 O ATOM 0 H ASP A 68 6.449 0.640 -6.332 1.00 74.42 H new ATOM 0 HA ASP A 68 7.576 -1.940 -5.892 1.00 41.21 H new ATOM 0 HB2 ASP A 68 8.261 -0.161 -7.592 1.00 43.24 H new ATOM 0 HB3 ASP A 68 9.007 0.715 -6.271 1.00 43.24 H new ATOM 1045 N LEU A 69 7.977 0.329 -3.549 1.00 74.42 N ATOM 1046 CA LEU A 69 8.345 0.535 -2.144 1.00 73.10 C ATOM 1047 C LEU A 69 7.733 -0.543 -1.234 1.00 11.35 C ATOM 1048 O LEU A 69 8.427 -1.145 -0.412 1.00 11.20 O ATOM 1049 CB LEU A 69 7.890 1.931 -1.684 1.00 50.13 C ATOM 1050 CG LEU A 69 8.097 2.242 -0.190 1.00 12.45 C ATOM 1051 CD1 LEU A 69 9.571 2.142 0.184 1.00 42.54 C ATOM 1052 CD2 LEU A 69 7.545 3.623 0.156 1.00 2.31 C ATOM 0 H LEU A 69 7.511 1.128 -3.978 1.00 74.42 H new ATOM 0 HA LEU A 69 9.430 0.459 -2.067 1.00 73.10 H new ATOM 0 HB2 LEU A 69 8.425 2.679 -2.269 1.00 50.13 H new ATOM 0 HB3 LEU A 69 6.831 2.043 -1.916 1.00 50.13 H new ATOM 0 HG LEU A 69 7.548 1.500 0.390 1.00 12.45 H new ATOM 0 HD11 LEU A 69 9.693 2.366 1.244 1.00 42.54 H new ATOM 0 HD12 LEU A 69 9.930 1.133 -0.018 1.00 42.54 H new ATOM 0 HD13 LEU A 69 10.145 2.856 -0.406 1.00 42.54 H new ATOM 0 HD21 LEU A 69 7.702 3.822 1.216 1.00 2.31 H new ATOM 0 HD22 LEU A 69 8.061 4.380 -0.436 1.00 2.31 H new ATOM 0 HD23 LEU A 69 6.478 3.654 -0.065 1.00 2.31 H new ATOM 1064 N VAL A 70 6.436 -0.791 -1.394 1.00 10.33 N ATOM 1065 CA VAL A 70 5.727 -1.760 -0.553 1.00 21.13 C ATOM 1066 C VAL A 70 6.214 -3.202 -0.795 1.00 4.51 C ATOM 1067 O VAL A 70 6.532 -3.926 0.149 1.00 11.55 O ATOM 1068 CB VAL A 70 4.199 -1.691 -0.786 1.00 50.44 C ATOM 1069 CG1 VAL A 70 3.467 -2.649 0.148 1.00 31.54 C ATOM 1070 CG2 VAL A 70 3.687 -0.260 -0.611 1.00 73.42 C ATOM 0 H VAL A 70 5.852 -0.337 -2.096 1.00 10.33 H new ATOM 0 HA VAL A 70 5.947 -1.490 0.480 1.00 21.13 H new ATOM 0 HB VAL A 70 3.997 -1.998 -1.812 1.00 50.44 H new ATOM 0 HG11 VAL A 70 2.394 -2.584 -0.033 1.00 31.54 H new ATOM 0 HG12 VAL A 70 3.806 -3.668 -0.038 1.00 31.54 H new ATOM 0 HG13 VAL A 70 3.678 -2.380 1.183 1.00 31.54 H new ATOM 0 HG21 VAL A 70 2.610 -0.236 -0.780 1.00 73.42 H new ATOM 0 HG22 VAL A 70 3.904 0.083 0.401 1.00 73.42 H new ATOM 0 HG23 VAL A 70 4.182 0.394 -1.329 1.00 73.42 H new ATOM 1080 N LYS A 71 6.274 -3.615 -2.064 1.00 74.05 N ATOM 1081 CA LYS A 71 6.720 -4.976 -2.416 1.00 14.43 C ATOM 1082 C LYS A 71 8.199 -5.212 -2.065 1.00 71.44 C ATOM 1083 O LYS A 71 8.641 -6.355 -1.946 1.00 20.33 O ATOM 1084 CB LYS A 71 6.480 -5.260 -3.905 1.00 53.21 C ATOM 1085 CG LYS A 71 7.050 -4.199 -4.836 1.00 33.41 C ATOM 1086 CD LYS A 71 6.874 -4.568 -6.308 1.00 22.50 C ATOM 1087 CE LYS A 71 7.918 -5.577 -6.768 1.00 64.41 C ATOM 1088 NZ LYS A 71 9.295 -5.012 -6.712 1.00 51.51 N ATOM 0 H LYS A 71 6.022 -3.034 -2.864 1.00 74.05 H new ATOM 0 HA LYS A 71 6.125 -5.668 -1.820 1.00 14.43 H new ATOM 0 HB2 LYS A 71 6.921 -6.225 -4.156 1.00 53.21 H new ATOM 0 HB3 LYS A 71 5.408 -5.345 -4.080 1.00 53.21 H new ATOM 0 HG2 LYS A 71 6.559 -3.245 -4.641 1.00 33.41 H new ATOM 0 HG3 LYS A 71 8.110 -4.062 -4.622 1.00 33.41 H new ATOM 0 HD2 LYS A 71 5.877 -4.981 -6.462 1.00 22.50 H new ATOM 0 HD3 LYS A 71 6.944 -3.668 -6.919 1.00 22.50 H new ATOM 0 HE2 LYS A 71 7.864 -6.467 -6.141 1.00 64.41 H new ATOM 0 HE3 LYS A 71 7.695 -5.891 -7.788 1.00 64.41 H new ATOM 0 HZ1 LYS A 71 9.912 -5.535 -7.366 1.00 51.51 H new ATOM 0 HZ2 LYS A 71 9.270 -4.009 -6.987 1.00 51.51 H new ATOM 0 HZ3 LYS A 71 9.666 -5.097 -5.744 1.00 51.51 H new ATOM 1102 N ALA A 72 8.966 -4.135 -1.932 1.00 5.10 N ATOM 1103 CA ALA A 72 10.358 -4.238 -1.487 1.00 71.25 C ATOM 1104 C ALA A 72 10.440 -4.342 0.043 1.00 42.12 C ATOM 1105 O ALA A 72 11.095 -5.235 0.588 1.00 54.25 O ATOM 1106 CB ALA A 72 11.165 -3.042 -1.979 1.00 3.13 C ATOM 0 H ALA A 72 8.653 -3.184 -2.124 1.00 5.10 H new ATOM 0 HA ALA A 72 10.782 -5.147 -1.914 1.00 71.25 H new ATOM 0 HB1 ALA A 72 12.197 -3.135 -1.639 1.00 3.13 H new ATOM 0 HB2 ALA A 72 11.143 -3.011 -3.068 1.00 3.13 H new ATOM 0 HB3 ALA A 72 10.733 -2.123 -1.581 1.00 3.13 H new ATOM 1112 N ARG A 73 9.755 -3.431 0.729 1.00 61.14 N ATOM 1113 CA ARG A 73 9.763 -3.379 2.196 1.00 20.24 C ATOM 1114 C ARG A 73 8.703 -4.317 2.808 1.00 73.23 C ATOM 1115 O ARG A 73 7.962 -3.933 3.719 1.00 44.11 O ATOM 1116 CB ARG A 73 9.535 -1.933 2.662 1.00 70.42 C ATOM 1117 CG ARG A 73 10.609 -0.955 2.185 1.00 32.23 C ATOM 1118 CD ARG A 73 11.995 -1.352 2.680 1.00 44.53 C ATOM 1119 NE ARG A 73 13.031 -0.416 2.246 1.00 2.04 N ATOM 1120 CZ ARG A 73 14.273 -0.462 2.648 1.00 15.50 C ATOM 1121 NH1 ARG A 73 14.659 -1.367 3.495 1.00 44.01 N ATOM 1122 NH2 ARG A 73 15.129 0.405 2.212 1.00 34.22 N ATOM 0 H ARG A 73 9.181 -2.710 0.291 1.00 61.14 H new ATOM 0 HA ARG A 73 10.737 -3.724 2.542 1.00 20.24 H new ATOM 0 HB2 ARG A 73 8.563 -1.594 2.303 1.00 70.42 H new ATOM 0 HB3 ARG A 73 9.497 -1.914 3.751 1.00 70.42 H new ATOM 0 HG2 ARG A 73 10.609 -0.918 1.096 1.00 32.23 H new ATOM 0 HG3 ARG A 73 10.370 0.048 2.538 1.00 32.23 H new ATOM 0 HD2 ARG A 73 11.988 -1.403 3.769 1.00 44.53 H new ATOM 0 HD3 ARG A 73 12.236 -2.351 2.316 1.00 44.53 H new ATOM 0 HE ARG A 73 12.768 0.318 1.589 1.00 2.04 H new ATOM 0 HH11 ARG A 73 13.990 -2.050 3.852 1.00 44.01 H new ATOM 0 HH12 ARG A 73 15.631 -1.395 3.803 1.00 44.01 H new ATOM 0 HH21 ARG A 73 14.834 1.126 1.553 1.00 34.22 H new ATOM 0 HH22 ARG A 73 16.098 0.368 2.527 1.00 34.22 H new ATOM 1136 N THR A 74 8.673 -5.564 2.334 1.00 72.15 N ATOM 1137 CA THR A 74 7.714 -6.571 2.823 1.00 43.15 C ATOM 1138 C THR A 74 7.854 -6.835 4.332 1.00 11.23 C ATOM 1139 O THR A 74 6.979 -7.446 4.948 1.00 31.23 O ATOM 1140 CB THR A 74 7.872 -7.916 2.080 1.00 72.35 C ATOM 1141 OG1 THR A 74 9.216 -8.400 2.227 1.00 24.32 O ATOM 1142 CG2 THR A 74 7.535 -7.775 0.599 1.00 54.04 C ATOM 0 H THR A 74 9.303 -5.907 1.609 1.00 72.15 H new ATOM 0 HA THR A 74 6.728 -6.151 2.626 1.00 43.15 H new ATOM 0 HB THR A 74 7.175 -8.628 2.521 1.00 72.35 H new ATOM 0 HG1 THR A 74 9.310 -9.254 1.755 1.00 24.32 H new ATOM 0 HG21 THR A 74 7.656 -8.739 0.105 1.00 54.04 H new ATOM 0 HG22 THR A 74 6.504 -7.439 0.491 1.00 54.04 H new ATOM 0 HG23 THR A 74 8.204 -7.046 0.141 1.00 54.04 H new ATOM 1150 N ASP A 75 8.964 -6.396 4.922 1.00 15.50 N ATOM 1151 CA ASP A 75 9.150 -6.488 6.369 1.00 22.24 C ATOM 1152 C ASP A 75 8.057 -5.701 7.109 1.00 21.21 C ATOM 1153 O ASP A 75 7.515 -6.166 8.110 1.00 3.25 O ATOM 1154 CB ASP A 75 10.538 -5.971 6.760 1.00 45.02 C ATOM 1155 CG ASP A 75 10.771 -6.030 8.259 1.00 73.03 C ATOM 1156 OD1 ASP A 75 10.733 -7.141 8.828 1.00 61.33 O ATOM 1157 OD2 ASP A 75 10.993 -4.968 8.878 1.00 73.03 O ATOM 0 H ASP A 75 9.747 -5.974 4.422 1.00 15.50 H new ATOM 0 HA ASP A 75 9.072 -7.536 6.660 1.00 22.24 H new ATOM 0 HB2 ASP A 75 11.300 -6.562 6.252 1.00 45.02 H new ATOM 0 HB3 ASP A 75 10.651 -4.943 6.417 1.00 45.02 H new ATOM 1162 N LEU A 76 7.726 -4.522 6.587 1.00 64.42 N ATOM 1163 CA LEU A 76 6.692 -3.663 7.180 1.00 73.35 C ATOM 1164 C LEU A 76 5.287 -4.012 6.658 1.00 1.33 C ATOM 1165 O LEU A 76 4.302 -3.941 7.399 1.00 41.11 O ATOM 1166 CB LEU A 76 7.003 -2.189 6.879 1.00 54.11 C ATOM 1167 CG LEU A 76 8.295 -1.647 7.511 1.00 10.15 C ATOM 1168 CD1 LEU A 76 8.613 -0.253 6.977 1.00 50.10 C ATOM 1169 CD2 LEU A 76 8.183 -1.626 9.035 1.00 73.42 C ATOM 0 H LEU A 76 8.159 -4.134 5.749 1.00 64.42 H new ATOM 0 HA LEU A 76 6.700 -3.833 8.257 1.00 73.35 H new ATOM 0 HB2 LEU A 76 7.066 -2.062 5.798 1.00 54.11 H new ATOM 0 HB3 LEU A 76 6.167 -1.581 7.224 1.00 54.11 H new ATOM 0 HG LEU A 76 9.113 -2.313 7.237 1.00 10.15 H new ATOM 0 HD11 LEU A 76 9.531 0.112 7.437 1.00 50.10 H new ATOM 0 HD12 LEU A 76 8.742 -0.298 5.896 1.00 50.10 H new ATOM 0 HD13 LEU A 76 7.793 0.424 7.216 1.00 50.10 H new ATOM 0 HD21 LEU A 76 9.108 -1.239 9.463 1.00 73.42 H new ATOM 0 HD22 LEU A 76 7.351 -0.986 9.330 1.00 73.42 H new ATOM 0 HD23 LEU A 76 8.010 -2.638 9.401 1.00 73.42 H new ATOM 1181 N PHE A 77 5.197 -4.388 5.380 1.00 12.13 N ATOM 1182 CA PHE A 77 3.898 -4.626 4.733 1.00 23.42 C ATOM 1183 C PHE A 77 3.804 -6.037 4.125 1.00 14.14 C ATOM 1184 O PHE A 77 4.736 -6.517 3.484 1.00 24.01 O ATOM 1185 CB PHE A 77 3.672 -3.581 3.630 1.00 42.51 C ATOM 1186 CG PHE A 77 3.923 -2.160 4.082 1.00 72.22 C ATOM 1187 CD1 PHE A 77 3.190 -1.610 5.123 1.00 55.24 C ATOM 1188 CD2 PHE A 77 4.898 -1.381 3.470 1.00 3.21 C ATOM 1189 CE1 PHE A 77 3.427 -0.316 5.547 1.00 53.40 C ATOM 1190 CE2 PHE A 77 5.135 -0.085 3.890 1.00 54.41 C ATOM 1191 CZ PHE A 77 4.399 0.447 4.929 1.00 1.01 C ATOM 0 H PHE A 77 6.003 -4.535 4.772 1.00 12.13 H new ATOM 0 HA PHE A 77 3.128 -4.541 5.500 1.00 23.42 H new ATOM 0 HB2 PHE A 77 4.326 -3.806 2.788 1.00 42.51 H new ATOM 0 HB3 PHE A 77 2.647 -3.663 3.268 1.00 42.51 H new ATOM 0 HD1 PHE A 77 2.426 -2.199 5.608 1.00 55.24 H new ATOM 0 HD2 PHE A 77 5.477 -1.793 2.657 1.00 3.21 H new ATOM 0 HE1 PHE A 77 2.852 0.099 6.362 1.00 53.40 H new ATOM 0 HE2 PHE A 77 5.895 0.510 3.406 1.00 54.41 H new ATOM 0 HZ PHE A 77 4.583 1.459 5.259 1.00 1.01 H new ATOM 1201 N VAL A 78 2.663 -6.690 4.322 1.00 53.43 N ATOM 1202 CA VAL A 78 2.401 -7.998 3.716 1.00 42.23 C ATOM 1203 C VAL A 78 1.807 -7.819 2.311 1.00 53.14 C ATOM 1204 O VAL A 78 0.756 -7.195 2.149 1.00 12.11 O ATOM 1205 CB VAL A 78 1.427 -8.835 4.585 1.00 13.03 C ATOM 1206 CG1 VAL A 78 1.224 -10.231 3.997 1.00 23.21 C ATOM 1207 CG2 VAL A 78 1.923 -8.918 6.028 1.00 51.32 C ATOM 0 H VAL A 78 1.900 -6.336 4.899 1.00 53.43 H new ATOM 0 HA VAL A 78 3.350 -8.531 3.649 1.00 42.23 H new ATOM 0 HB VAL A 78 0.461 -8.331 4.586 1.00 13.03 H new ATOM 0 HG11 VAL A 78 0.536 -10.795 4.627 1.00 23.21 H new ATOM 0 HG12 VAL A 78 0.809 -10.146 2.993 1.00 23.21 H new ATOM 0 HG13 VAL A 78 2.182 -10.749 3.951 1.00 23.21 H new ATOM 0 HG21 VAL A 78 1.224 -9.510 6.619 1.00 51.32 H new ATOM 0 HG22 VAL A 78 2.906 -9.389 6.048 1.00 51.32 H new ATOM 0 HG23 VAL A 78 1.993 -7.914 6.447 1.00 51.32 H new ATOM 1217 N THR A 79 2.481 -8.363 1.299 1.00 24.04 N ATOM 1218 CA THR A 79 2.104 -8.116 -0.102 1.00 31.24 C ATOM 1219 C THR A 79 1.655 -9.391 -0.830 1.00 51.41 C ATOM 1220 O THR A 79 2.345 -10.410 -0.812 1.00 14.11 O ATOM 1221 CB THR A 79 3.293 -7.514 -0.896 1.00 52.42 C ATOM 1222 OG1 THR A 79 4.368 -8.467 -0.977 1.00 73.21 O ATOM 1223 CG2 THR A 79 3.802 -6.237 -0.236 1.00 21.03 C ATOM 0 H THR A 79 3.288 -8.976 1.416 1.00 24.04 H new ATOM 0 HA THR A 79 1.268 -7.417 -0.063 1.00 31.24 H new ATOM 0 HB THR A 79 2.938 -7.274 -1.898 1.00 52.42 H new ATOM 0 HG1 THR A 79 4.001 -9.376 -0.976 1.00 73.21 H new ATOM 0 HG21 THR A 79 4.635 -5.836 -0.813 1.00 21.03 H new ATOM 0 HG22 THR A 79 2.999 -5.501 -0.200 1.00 21.03 H new ATOM 0 HG23 THR A 79 4.136 -6.460 0.777 1.00 21.03 H new ATOM 1231 N GLU A 80 0.500 -9.317 -1.485 1.00 33.41 N ATOM 1232 CA GLU A 80 0.042 -10.374 -2.399 1.00 51.50 C ATOM 1233 C GLU A 80 -0.700 -9.797 -3.604 1.00 24.21 C ATOM 1234 O GLU A 80 -1.421 -8.805 -3.493 1.00 31.41 O ATOM 1235 CB GLU A 80 -0.898 -11.386 -1.723 1.00 70.24 C ATOM 1236 CG GLU A 80 -0.244 -12.358 -0.752 1.00 70.25 C ATOM 1237 CD GLU A 80 -1.196 -13.487 -0.380 1.00 64.41 C ATOM 1238 OE1 GLU A 80 -1.659 -14.201 -1.307 1.00 32.21 O ATOM 1239 OE2 GLU A 80 -1.496 -13.664 0.815 1.00 41.04 O ATOM 0 H GLU A 80 -0.145 -8.531 -1.402 1.00 33.41 H new ATOM 0 HA GLU A 80 0.953 -10.882 -2.715 1.00 51.50 H new ATOM 0 HB2 GLU A 80 -1.670 -10.833 -1.188 1.00 70.24 H new ATOM 0 HB3 GLU A 80 -1.399 -11.962 -2.501 1.00 70.24 H new ATOM 0 HG2 GLU A 80 0.659 -12.773 -1.201 1.00 70.25 H new ATOM 0 HG3 GLU A 80 0.063 -11.826 0.148 1.00 70.25 H new ATOM 1246 N GLU A 81 -0.535 -10.441 -4.750 1.00 72.32 N ATOM 1247 CA GLU A 81 -1.391 -10.176 -5.900 1.00 23.42 C ATOM 1248 C GLU A 81 -2.628 -11.082 -5.813 1.00 72.41 C ATOM 1249 O GLU A 81 -2.509 -12.306 -5.743 1.00 73.43 O ATOM 1250 CB GLU A 81 -0.649 -10.438 -7.222 1.00 74.44 C ATOM 1251 CG GLU A 81 0.614 -9.604 -7.423 1.00 53.14 C ATOM 1252 CD GLU A 81 1.224 -9.789 -8.810 1.00 5.44 C ATOM 1253 OE1 GLU A 81 1.782 -10.870 -9.082 1.00 12.53 O ATOM 1254 OE2 GLU A 81 1.129 -8.859 -9.644 1.00 2.13 O ATOM 0 H GLU A 81 0.181 -11.149 -4.910 1.00 72.32 H new ATOM 0 HA GLU A 81 -1.685 -9.127 -5.885 1.00 23.42 H new ATOM 0 HB2 GLU A 81 -0.382 -11.494 -7.269 1.00 74.44 H new ATOM 0 HB3 GLU A 81 -1.331 -10.244 -8.050 1.00 74.44 H new ATOM 0 HG2 GLU A 81 0.378 -8.551 -7.271 1.00 53.14 H new ATOM 0 HG3 GLU A 81 1.350 -9.877 -6.667 1.00 53.14 H new ATOM 1261 N ARG A 82 -3.812 -10.490 -5.774 1.00 40.30 N ATOM 1262 CA ARG A 82 -5.054 -11.264 -5.677 1.00 33.52 C ATOM 1263 C ARG A 82 -5.922 -11.038 -6.921 1.00 60.42 C ATOM 1264 O ARG A 82 -6.012 -9.920 -7.429 1.00 33.25 O ATOM 1265 CB ARG A 82 -5.830 -10.873 -4.409 1.00 44.35 C ATOM 1266 CG ARG A 82 -4.989 -10.892 -3.129 1.00 32.34 C ATOM 1267 CD ARG A 82 -4.487 -12.292 -2.766 1.00 54.44 C ATOM 1268 NE ARG A 82 -5.579 -13.196 -2.411 1.00 71.24 N ATOM 1269 CZ ARG A 82 -5.465 -14.209 -1.589 1.00 2.03 C ATOM 1270 NH1 ARG A 82 -4.337 -14.486 -1.014 1.00 72.44 N ATOM 1271 NH2 ARG A 82 -6.492 -14.948 -1.338 1.00 61.15 N ATOM 0 H ARG A 82 -3.946 -9.479 -5.808 1.00 40.30 H new ATOM 0 HA ARG A 82 -4.799 -12.322 -5.617 1.00 33.52 H new ATOM 0 HB2 ARG A 82 -6.245 -9.874 -4.544 1.00 44.35 H new ATOM 0 HB3 ARG A 82 -6.672 -11.554 -4.287 1.00 44.35 H new ATOM 0 HG2 ARG A 82 -4.135 -10.226 -3.252 1.00 32.34 H new ATOM 0 HG3 ARG A 82 -5.583 -10.500 -2.304 1.00 32.34 H new ATOM 0 HD2 ARG A 82 -3.933 -12.707 -3.608 1.00 54.44 H new ATOM 0 HD3 ARG A 82 -3.790 -12.221 -1.931 1.00 54.44 H new ATOM 0 HE ARG A 82 -6.492 -13.026 -2.832 1.00 71.24 H new ATOM 0 HH11 ARG A 82 -3.516 -13.910 -1.198 1.00 72.44 H new ATOM 0 HH12 ARG A 82 -4.271 -15.280 -0.377 1.00 72.44 H new ATOM 0 HH21 ARG A 82 -7.388 -14.742 -1.779 1.00 61.15 H new ATOM 0 HH22 ARG A 82 -6.408 -15.738 -0.698 1.00 61.15 H new ATOM 1285 N GLN A 83 -6.553 -12.097 -7.413 1.00 31.00 N ATOM 1286 CA GLN A 83 -7.377 -12.003 -8.621 1.00 61.33 C ATOM 1287 C GLN A 83 -8.753 -11.405 -8.299 1.00 22.02 C ATOM 1288 O GLN A 83 -9.419 -11.830 -7.351 1.00 52.45 O ATOM 1289 CB GLN A 83 -7.545 -13.388 -9.261 1.00 44.15 C ATOM 1290 CG GLN A 83 -8.312 -13.373 -10.581 1.00 43.22 C ATOM 1291 CD GLN A 83 -8.570 -14.769 -11.126 1.00 71.15 C ATOM 1292 OE1 GLN A 83 -8.721 -15.725 -10.375 1.00 75.14 O ATOM 1293 NE2 GLN A 83 -8.618 -14.900 -12.434 1.00 1.44 N ATOM 0 H GLN A 83 -6.513 -13.029 -7.000 1.00 31.00 H new ATOM 0 HA GLN A 83 -6.870 -11.344 -9.326 1.00 61.33 H new ATOM 0 HB2 GLN A 83 -6.559 -13.821 -9.430 1.00 44.15 H new ATOM 0 HB3 GLN A 83 -8.063 -14.041 -8.559 1.00 44.15 H new ATOM 0 HG2 GLN A 83 -9.264 -12.862 -10.437 1.00 43.22 H new ATOM 0 HG3 GLN A 83 -7.749 -12.798 -11.317 1.00 43.22 H new ATOM 0 HE21 GLN A 83 -8.488 -14.085 -13.033 1.00 1.44 H new ATOM 0 HE22 GLN A 83 -8.785 -15.817 -12.849 1.00 1.44 H new ATOM 1302 N VAL A 84 -9.178 -10.428 -9.093 1.00 43.13 N ATOM 1303 CA VAL A 84 -10.460 -9.754 -8.869 1.00 12.21 C ATOM 1304 C VAL A 84 -11.598 -10.481 -9.605 1.00 21.15 C ATOM 1305 O VAL A 84 -11.540 -10.666 -10.823 1.00 55.42 O ATOM 1306 CB VAL A 84 -10.405 -8.280 -9.343 1.00 70.22 C ATOM 1307 CG1 VAL A 84 -11.728 -7.564 -9.072 1.00 40.13 C ATOM 1308 CG2 VAL A 84 -9.241 -7.546 -8.677 1.00 75.33 C ATOM 0 H VAL A 84 -8.656 -10.082 -9.898 1.00 43.13 H new ATOM 0 HA VAL A 84 -10.655 -9.776 -7.797 1.00 12.21 H new ATOM 0 HB VAL A 84 -10.241 -8.277 -10.421 1.00 70.22 H new ATOM 0 HG11 VAL A 84 -11.660 -6.532 -9.415 1.00 40.13 H new ATOM 0 HG12 VAL A 84 -12.532 -8.071 -9.605 1.00 40.13 H new ATOM 0 HG13 VAL A 84 -11.937 -7.578 -8.002 1.00 40.13 H new ATOM 0 HG21 VAL A 84 -9.218 -6.512 -9.022 1.00 75.33 H new ATOM 0 HG22 VAL A 84 -9.370 -7.565 -7.595 1.00 75.33 H new ATOM 0 HG23 VAL A 84 -8.304 -8.037 -8.939 1.00 75.33 H new ATOM 1318 N PRO A 85 -12.651 -10.904 -8.872 1.00 65.41 N ATOM 1319 CA PRO A 85 -13.773 -11.666 -9.451 1.00 71.24 C ATOM 1320 C PRO A 85 -14.417 -10.969 -10.665 1.00 71.02 C ATOM 1321 O PRO A 85 -15.023 -9.900 -10.540 1.00 32.12 O ATOM 1322 CB PRO A 85 -14.777 -11.782 -8.284 1.00 21.24 C ATOM 1323 CG PRO A 85 -14.331 -10.775 -7.273 1.00 64.23 C ATOM 1324 CD PRO A 85 -12.839 -10.679 -7.427 1.00 34.52 C ATOM 0 HA PRO A 85 -13.442 -12.629 -9.840 1.00 71.24 H new ATOM 0 HB2 PRO A 85 -15.794 -11.578 -8.619 1.00 21.24 H new ATOM 0 HB3 PRO A 85 -14.776 -12.788 -7.863 1.00 21.24 H new ATOM 0 HG2 PRO A 85 -14.806 -9.809 -7.446 1.00 64.23 H new ATOM 0 HG3 PRO A 85 -14.601 -11.087 -6.264 1.00 64.23 H new ATOM 0 HD2 PRO A 85 -12.461 -9.705 -7.116 1.00 34.52 H new ATOM 0 HD3 PRO A 85 -12.320 -11.428 -6.829 1.00 34.52 H new ATOM 1332 N GLY A 86 -14.261 -11.572 -11.844 1.00 41.23 N ATOM 1333 CA GLY A 86 -14.866 -11.030 -13.059 1.00 13.32 C ATOM 1334 C GLY A 86 -13.936 -10.114 -13.855 1.00 13.13 C ATOM 1335 O GLY A 86 -14.297 -9.651 -14.940 1.00 5.14 O ATOM 0 H GLY A 86 -13.725 -12.429 -11.982 1.00 41.23 H new ATOM 0 HA2 GLY A 86 -15.181 -11.856 -13.697 1.00 13.32 H new ATOM 0 HA3 GLY A 86 -15.765 -10.475 -12.790 1.00 13.32 H new ATOM 1339 N SER A 87 -12.743 -9.848 -13.323 1.00 73.23 N ATOM 1340 CA SER A 87 -11.756 -8.985 -14.001 1.00 23.11 C ATOM 1341 C SER A 87 -10.656 -9.815 -14.686 1.00 20.42 C ATOM 1342 O SER A 87 -10.330 -10.921 -14.249 1.00 71.22 O ATOM 1343 CB SER A 87 -11.115 -8.002 -13.005 1.00 20.32 C ATOM 1344 OG SER A 87 -12.074 -7.107 -12.452 1.00 60.41 O ATOM 0 H SER A 87 -12.430 -10.215 -12.424 1.00 73.23 H new ATOM 0 HA SER A 87 -12.291 -8.423 -14.766 1.00 23.11 H new ATOM 0 HB2 SER A 87 -10.634 -8.561 -12.202 1.00 20.32 H new ATOM 0 HB3 SER A 87 -10.334 -7.432 -13.509 1.00 20.32 H new ATOM 0 HG SER A 87 -11.630 -6.500 -11.824 1.00 60.41 H new ATOM 1350 N THR A 88 -10.075 -9.273 -15.757 1.00 42.11 N ATOM 1351 CA THR A 88 -9.011 -9.975 -16.496 1.00 50.35 C ATOM 1352 C THR A 88 -7.651 -9.843 -15.793 1.00 42.51 C ATOM 1353 O THR A 88 -6.848 -10.782 -15.791 1.00 60.13 O ATOM 1354 CB THR A 88 -8.885 -9.462 -17.955 1.00 52.32 C ATOM 1355 OG1 THR A 88 -7.860 -10.187 -18.652 1.00 14.53 O ATOM 1356 CG2 THR A 88 -8.571 -7.970 -18.000 1.00 11.41 C ATOM 0 H THR A 88 -10.317 -8.357 -16.134 1.00 42.11 H new ATOM 0 HA THR A 88 -9.298 -11.026 -16.518 1.00 50.35 H new ATOM 0 HB THR A 88 -9.846 -9.626 -18.443 1.00 52.32 H new ATOM 0 HG1 THR A 88 -7.792 -9.855 -19.571 1.00 14.53 H new ATOM 0 HG21 THR A 88 -8.490 -7.646 -19.038 1.00 11.41 H new ATOM 0 HG22 THR A 88 -9.370 -7.415 -17.508 1.00 11.41 H new ATOM 0 HG23 THR A 88 -7.628 -7.781 -17.486 1.00 11.41 H new ATOM 1364 N GLN A 89 -7.411 -8.695 -15.160 1.00 73.25 N ATOM 1365 CA GLN A 89 -6.151 -8.455 -14.445 1.00 4.41 C ATOM 1366 C GLN A 89 -6.281 -8.766 -12.946 1.00 20.31 C ATOM 1367 O GLN A 89 -7.382 -8.779 -12.391 1.00 75.01 O ATOM 1368 CB GLN A 89 -5.699 -6.997 -14.622 1.00 0.41 C ATOM 1369 CG GLN A 89 -6.658 -5.970 -14.021 1.00 61.54 C ATOM 1370 CD GLN A 89 -6.076 -4.564 -13.991 1.00 21.33 C ATOM 1371 OE1 GLN A 89 -4.869 -4.377 -13.869 1.00 30.24 O ATOM 1372 NE2 GLN A 89 -6.928 -3.564 -14.086 1.00 3.45 N ATOM 0 H GLN A 89 -8.069 -7.916 -15.126 1.00 73.25 H new ATOM 0 HA GLN A 89 -5.406 -9.125 -14.874 1.00 4.41 H new ATOM 0 HB2 GLN A 89 -4.718 -6.874 -14.164 1.00 0.41 H new ATOM 0 HB3 GLN A 89 -5.582 -6.790 -15.686 1.00 0.41 H new ATOM 0 HG2 GLN A 89 -7.583 -5.963 -14.598 1.00 61.54 H new ATOM 0 HG3 GLN A 89 -6.917 -6.272 -13.006 1.00 61.54 H new ATOM 0 HE21 GLN A 89 -7.926 -3.752 -14.187 1.00 3.45 H new ATOM 0 HE22 GLN A 89 -6.590 -2.602 -14.059 1.00 3.45 H new ATOM 1381 N LYS A 90 -5.147 -9.014 -12.295 1.00 1.13 N ATOM 1382 CA LYS A 90 -5.112 -9.195 -10.839 1.00 41.21 C ATOM 1383 C LYS A 90 -4.706 -7.888 -10.141 1.00 50.32 C ATOM 1384 O LYS A 90 -3.942 -7.090 -10.691 1.00 55.31 O ATOM 1385 CB LYS A 90 -4.139 -10.319 -10.458 1.00 12.14 C ATOM 1386 CG LYS A 90 -2.716 -10.103 -10.962 1.00 65.12 C ATOM 1387 CD LYS A 90 -1.748 -11.140 -10.400 1.00 32.23 C ATOM 1388 CE LYS A 90 -2.092 -12.562 -10.827 1.00 33.35 C ATOM 1389 NZ LYS A 90 -1.153 -13.555 -10.231 1.00 33.41 N ATOM 0 H LYS A 90 -4.238 -9.095 -12.750 1.00 1.13 H new ATOM 0 HA LYS A 90 -6.113 -9.472 -10.508 1.00 41.21 H new ATOM 0 HB2 LYS A 90 -4.119 -10.416 -9.373 1.00 12.14 H new ATOM 0 HB3 LYS A 90 -4.515 -11.262 -10.855 1.00 12.14 H new ATOM 0 HG2 LYS A 90 -2.706 -10.150 -12.051 1.00 65.12 H new ATOM 0 HG3 LYS A 90 -2.380 -9.104 -10.683 1.00 65.12 H new ATOM 0 HD2 LYS A 90 -0.736 -10.902 -10.729 1.00 32.23 H new ATOM 0 HD3 LYS A 90 -1.752 -11.081 -9.312 1.00 32.23 H new ATOM 0 HE2 LYS A 90 -3.112 -12.797 -10.524 1.00 33.35 H new ATOM 0 HE3 LYS A 90 -2.058 -12.635 -11.914 1.00 33.35 H new ATOM 0 HZ1 LYS A 90 -1.247 -14.464 -10.728 1.00 33.41 H new ATOM 0 HZ2 LYS A 90 -0.177 -13.209 -10.324 1.00 33.41 H new ATOM 0 HZ3 LYS A 90 -1.379 -13.686 -9.224 1.00 33.41 H new ATOM 1403 N ALA A 91 -5.211 -7.672 -8.931 1.00 14.33 N ATOM 1404 CA ALA A 91 -4.916 -6.447 -8.180 1.00 11.13 C ATOM 1405 C ALA A 91 -4.007 -6.733 -6.978 1.00 23.45 C ATOM 1406 O ALA A 91 -4.159 -7.747 -6.295 1.00 20.33 O ATOM 1407 CB ALA A 91 -6.211 -5.785 -7.720 1.00 11.34 C ATOM 0 H ALA A 91 -5.826 -8.325 -8.446 1.00 14.33 H new ATOM 0 HA ALA A 91 -4.385 -5.765 -8.845 1.00 11.13 H new ATOM 0 HB1 ALA A 91 -5.978 -4.877 -7.164 1.00 11.34 H new ATOM 0 HB2 ALA A 91 -6.819 -5.532 -8.589 1.00 11.34 H new ATOM 0 HB3 ALA A 91 -6.763 -6.472 -7.078 1.00 11.34 H new ATOM 1413 N LEU A 92 -3.058 -5.837 -6.727 1.00 31.24 N ATOM 1414 CA LEU A 92 -2.131 -5.989 -5.599 1.00 45.34 C ATOM 1415 C LEU A 92 -2.793 -5.572 -4.272 1.00 23.34 C ATOM 1416 O LEU A 92 -3.098 -4.398 -4.063 1.00 33.04 O ATOM 1417 CB LEU A 92 -0.861 -5.155 -5.843 1.00 51.24 C ATOM 1418 CG LEU A 92 0.235 -5.276 -4.766 1.00 55.35 C ATOM 1419 CD1 LEU A 92 0.862 -6.669 -4.782 1.00 21.12 C ATOM 1420 CD2 LEU A 92 1.303 -4.197 -4.964 1.00 43.04 C ATOM 0 H LEU A 92 -2.907 -4.997 -7.286 1.00 31.24 H new ATOM 0 HA LEU A 92 -1.860 -7.042 -5.524 1.00 45.34 H new ATOM 0 HB2 LEU A 92 -0.435 -5.447 -6.803 1.00 51.24 H new ATOM 0 HB3 LEU A 92 -1.148 -4.107 -5.927 1.00 51.24 H new ATOM 0 HG LEU A 92 -0.227 -5.126 -3.790 1.00 55.35 H new ATOM 0 HD11 LEU A 92 1.633 -6.730 -4.013 1.00 21.12 H new ATOM 0 HD12 LEU A 92 0.093 -7.416 -4.585 1.00 21.12 H new ATOM 0 HD13 LEU A 92 1.308 -6.856 -5.759 1.00 21.12 H new ATOM 0 HD21 LEU A 92 2.069 -4.298 -4.195 1.00 43.04 H new ATOM 0 HD22 LEU A 92 1.759 -4.312 -5.947 1.00 43.04 H new ATOM 0 HD23 LEU A 92 0.843 -3.212 -4.891 1.00 43.04 H new ATOM 1432 N TYR A 93 -3.025 -6.541 -3.387 1.00 62.31 N ATOM 1433 CA TYR A 93 -3.588 -6.263 -2.058 1.00 50.45 C ATOM 1434 C TYR A 93 -2.494 -6.247 -0.982 1.00 53.22 C ATOM 1435 O TYR A 93 -1.562 -7.055 -1.006 1.00 12.43 O ATOM 1436 CB TYR A 93 -4.672 -7.287 -1.692 1.00 52.24 C ATOM 1437 CG TYR A 93 -5.966 -7.127 -2.475 1.00 21.02 C ATOM 1438 CD1 TYR A 93 -6.025 -7.410 -3.834 1.00 34.33 C ATOM 1439 CD2 TYR A 93 -7.131 -6.697 -1.846 1.00 43.55 C ATOM 1440 CE1 TYR A 93 -7.202 -7.269 -4.543 1.00 44.54 C ATOM 1441 CE2 TYR A 93 -8.310 -6.554 -2.548 1.00 34.31 C ATOM 1442 CZ TYR A 93 -8.340 -6.840 -3.896 1.00 14.54 C ATOM 1443 OH TYR A 93 -9.518 -6.703 -4.597 1.00 13.33 O ATOM 0 H TYR A 93 -2.833 -7.527 -3.563 1.00 62.31 H new ATOM 0 HA TYR A 93 -4.044 -5.274 -2.099 1.00 50.45 H new ATOM 0 HB2 TYR A 93 -4.280 -8.290 -1.859 1.00 52.24 H new ATOM 0 HB3 TYR A 93 -4.891 -7.204 -0.628 1.00 52.24 H new ATOM 0 HD1 TYR A 93 -5.135 -7.746 -4.345 1.00 34.33 H new ATOM 0 HD2 TYR A 93 -7.112 -6.471 -0.790 1.00 43.55 H new ATOM 0 HE1 TYR A 93 -7.230 -7.494 -5.599 1.00 44.54 H new ATOM 0 HE2 TYR A 93 -9.205 -6.220 -2.044 1.00 34.31 H new ATOM 0 HH TYR A 93 -10.224 -6.393 -3.993 1.00 13.33 H new ATOM 1453 N LEU A 94 -2.629 -5.325 -0.032 1.00 43.04 N ATOM 1454 CA LEU A 94 -1.613 -5.100 1.002 1.00 40.50 C ATOM 1455 C LEU A 94 -2.242 -5.132 2.407 1.00 32.00 C ATOM 1456 O LEU A 94 -3.386 -4.716 2.585 1.00 13.02 O ATOM 1457 CB LEU A 94 -0.963 -3.726 0.768 1.00 14.00 C ATOM 1458 CG LEU A 94 -0.494 -3.452 -0.674 1.00 32.03 C ATOM 1459 CD1 LEU A 94 -0.021 -2.009 -0.827 1.00 14.13 C ATOM 1460 CD2 LEU A 94 0.604 -4.429 -1.089 1.00 33.22 C ATOM 0 H LEU A 94 -3.441 -4.713 0.046 1.00 43.04 H new ATOM 0 HA LEU A 94 -0.866 -5.892 0.941 1.00 40.50 H new ATOM 0 HB2 LEU A 94 -1.676 -2.953 1.053 1.00 14.00 H new ATOM 0 HB3 LEU A 94 -0.106 -3.630 1.435 1.00 14.00 H new ATOM 0 HG LEU A 94 -1.346 -3.602 -1.337 1.00 32.03 H new ATOM 0 HD11 LEU A 94 0.305 -1.840 -1.853 1.00 14.13 H new ATOM 0 HD12 LEU A 94 -0.840 -1.330 -0.590 1.00 14.13 H new ATOM 0 HD13 LEU A 94 0.811 -1.825 -0.147 1.00 14.13 H new ATOM 0 HD21 LEU A 94 0.916 -4.213 -2.111 1.00 33.22 H new ATOM 0 HD22 LEU A 94 1.457 -4.324 -0.419 1.00 33.22 H new ATOM 0 HD23 LEU A 94 0.223 -5.449 -1.034 1.00 33.22 H new ATOM 1472 N ARG A 95 -1.501 -5.623 3.400 1.00 44.20 N ATOM 1473 CA ARG A 95 -1.960 -5.562 4.798 1.00 42.34 C ATOM 1474 C ARG A 95 -0.773 -5.405 5.766 1.00 60.24 C ATOM 1475 O ARG A 95 0.383 -5.563 5.377 1.00 33.42 O ATOM 1476 CB ARG A 95 -2.800 -6.796 5.161 1.00 24.13 C ATOM 1477 CG ARG A 95 -2.011 -8.097 5.275 1.00 22.30 C ATOM 1478 CD ARG A 95 -2.926 -9.285 5.568 1.00 42.12 C ATOM 1479 NE ARG A 95 -3.920 -8.973 6.595 1.00 11.01 N ATOM 1480 CZ ARG A 95 -4.086 -9.651 7.699 1.00 1.22 C ATOM 1481 NH1 ARG A 95 -3.320 -10.659 7.981 1.00 0.40 N ATOM 1482 NH2 ARG A 95 -5.022 -9.312 8.524 1.00 23.24 N ATOM 0 H ARG A 95 -0.590 -6.064 3.271 1.00 44.20 H new ATOM 0 HA ARG A 95 -2.595 -4.682 4.898 1.00 42.34 H new ATOM 0 HB2 ARG A 95 -3.304 -6.609 6.109 1.00 24.13 H new ATOM 0 HB3 ARG A 95 -3.577 -6.924 4.407 1.00 24.13 H new ATOM 0 HG2 ARG A 95 -1.467 -8.276 4.348 1.00 22.30 H new ATOM 0 HG3 ARG A 95 -1.268 -8.005 6.067 1.00 22.30 H new ATOM 0 HD2 ARG A 95 -3.434 -9.586 4.652 1.00 42.12 H new ATOM 0 HD3 ARG A 95 -2.324 -10.134 5.892 1.00 42.12 H new ATOM 0 HE ARG A 95 -4.527 -8.168 6.438 1.00 11.01 H new ATOM 0 HH11 ARG A 95 -2.577 -10.931 7.337 1.00 0.40 H new ATOM 0 HH12 ARG A 95 -3.461 -11.180 8.847 1.00 0.40 H new ATOM 0 HH21 ARG A 95 -5.627 -8.518 8.311 1.00 23.24 H new ATOM 0 HH22 ARG A 95 -5.156 -9.838 9.388 1.00 23.24 H new ATOM 1496 N ALA A 96 -1.065 -5.093 7.027 1.00 2.21 N ATOM 1497 CA ALA A 96 -0.025 -4.763 8.013 1.00 50.54 C ATOM 1498 C ALA A 96 0.737 -5.999 8.527 1.00 1.03 C ATOM 1499 O ALA A 96 0.147 -7.049 8.793 1.00 65.21 O ATOM 1500 CB ALA A 96 -0.651 -4.012 9.185 1.00 30.31 C ATOM 0 H ALA A 96 -2.015 -5.060 7.396 1.00 2.21 H new ATOM 0 HA ALA A 96 0.707 -4.134 7.506 1.00 50.54 H new ATOM 0 HB1 ALA A 96 0.121 -3.768 9.915 1.00 30.31 H new ATOM 0 HB2 ALA A 96 -1.112 -3.093 8.824 1.00 30.31 H new ATOM 0 HB3 ALA A 96 -1.410 -4.638 9.655 1.00 30.31 H new ATOM 1506 N LYS A 97 2.057 -5.858 8.662 1.00 34.31 N ATOM 1507 CA LYS A 97 2.901 -6.890 9.277 1.00 14.34 C ATOM 1508 C LYS A 97 3.064 -6.624 10.780 1.00 40.54 C ATOM 1509 O LYS A 97 3.599 -5.590 11.180 1.00 74.25 O ATOM 1510 CB LYS A 97 4.289 -6.908 8.620 1.00 33.12 C ATOM 1511 CG LYS A 97 5.258 -7.912 9.251 1.00 40.21 C ATOM 1512 CD LYS A 97 5.088 -9.322 8.685 1.00 60.33 C ATOM 1513 CE LYS A 97 5.566 -9.406 7.239 1.00 32.21 C ATOM 1514 NZ LYS A 97 6.952 -8.891 7.096 1.00 33.05 N ATOM 0 H LYS A 97 2.570 -5.033 8.352 1.00 34.31 H new ATOM 0 HA LYS A 97 2.415 -7.855 9.129 1.00 14.34 H new ATOM 0 HB2 LYS A 97 4.177 -7.142 7.561 1.00 33.12 H new ATOM 0 HB3 LYS A 97 4.723 -5.910 8.682 1.00 33.12 H new ATOM 0 HG2 LYS A 97 6.282 -7.578 9.085 1.00 40.21 H new ATOM 0 HG3 LYS A 97 5.101 -7.935 10.329 1.00 40.21 H new ATOM 0 HD2 LYS A 97 5.648 -10.030 9.296 1.00 60.33 H new ATOM 0 HD3 LYS A 97 4.039 -9.613 8.740 1.00 60.33 H new ATOM 0 HE2 LYS A 97 5.524 -10.441 6.900 1.00 32.21 H new ATOM 0 HE3 LYS A 97 4.895 -8.833 6.599 1.00 32.21 H new ATOM 0 HZ1 LYS A 97 6.934 -7.982 6.590 1.00 33.05 H new ATOM 0 HZ2 LYS A 97 7.371 -8.755 8.038 1.00 33.05 H new ATOM 0 HZ3 LYS A 97 7.523 -9.575 6.559 1.00 33.05 H new ATOM 1528 N LEU A 98 2.616 -7.560 11.609 1.00 41.14 N ATOM 1529 CA LEU A 98 2.725 -7.410 13.068 1.00 32.02 C ATOM 1530 C LEU A 98 3.560 -8.536 13.704 1.00 53.32 C ATOM 1531 O LEU A 98 3.614 -9.659 13.194 1.00 75.42 O ATOM 1532 CB LEU A 98 1.329 -7.358 13.709 1.00 21.52 C ATOM 1533 CG LEU A 98 0.469 -6.140 13.319 1.00 32.45 C ATOM 1534 CD1 LEU A 98 -0.899 -6.200 13.998 1.00 71.31 C ATOM 1535 CD2 LEU A 98 1.188 -4.834 13.668 1.00 24.31 C ATOM 0 H LEU A 98 2.175 -8.428 11.305 1.00 41.14 H new ATOM 0 HA LEU A 98 3.242 -6.470 13.258 1.00 32.02 H new ATOM 0 HB2 LEU A 98 0.789 -8.265 13.438 1.00 21.52 H new ATOM 0 HB3 LEU A 98 1.445 -7.368 14.793 1.00 21.52 H new ATOM 0 HG LEU A 98 0.314 -6.167 12.240 1.00 32.45 H new ATOM 0 HD11 LEU A 98 -1.488 -5.330 13.708 1.00 71.31 H new ATOM 0 HD12 LEU A 98 -1.418 -7.108 13.691 1.00 71.31 H new ATOM 0 HD13 LEU A 98 -0.768 -6.205 15.080 1.00 71.31 H new ATOM 0 HD21 LEU A 98 0.563 -3.987 13.384 1.00 24.31 H new ATOM 0 HD22 LEU A 98 1.380 -4.800 14.740 1.00 24.31 H new ATOM 0 HD23 LEU A 98 2.134 -4.784 13.128 1.00 24.31 H new ATOM 1547 N GLU A 99 4.211 -8.211 14.824 1.00 25.25 N ATOM 1548 CA GLU A 99 5.014 -9.180 15.586 1.00 34.13 C ATOM 1549 C GLU A 99 4.138 -10.245 16.271 1.00 50.23 C ATOM 1550 O GLU A 99 2.916 -10.284 16.099 1.00 1.52 O ATOM 1551 CB GLU A 99 5.836 -8.456 16.667 1.00 2.02 C ATOM 1552 CG GLU A 99 6.928 -7.532 16.139 1.00 14.53 C ATOM 1553 CD GLU A 99 7.657 -6.806 17.264 1.00 54.43 C ATOM 1554 OE1 GLU A 99 8.399 -7.468 18.024 1.00 42.51 O ATOM 1555 OE2 GLU A 99 7.464 -5.578 17.414 1.00 21.20 O ATOM 0 H GLU A 99 4.199 -7.275 15.229 1.00 25.25 H new ATOM 0 HA GLU A 99 5.672 -9.676 14.873 1.00 34.13 H new ATOM 0 HB2 GLU A 99 5.156 -7.872 17.288 1.00 2.02 H new ATOM 0 HB3 GLU A 99 6.296 -9.204 17.313 1.00 2.02 H new ATOM 0 HG2 GLU A 99 7.645 -8.113 15.559 1.00 14.53 H new ATOM 0 HG3 GLU A 99 6.487 -6.801 15.462 1.00 14.53 H new ATOM 1562 N HIS A 100 4.786 -11.103 17.057 1.00 41.15 N ATOM 1563 CA HIS A 100 4.093 -12.103 17.874 1.00 61.33 C ATOM 1564 C HIS A 100 4.693 -12.131 19.288 1.00 20.50 C ATOM 1565 O HIS A 100 5.912 -12.041 19.448 1.00 51.22 O ATOM 1566 CB HIS A 100 4.174 -13.491 17.219 1.00 54.02 C ATOM 1567 CG HIS A 100 5.563 -14.047 17.117 1.00 72.11 C ATOM 1568 ND1 HIS A 100 5.959 -15.198 17.761 1.00 31.25 N ATOM 1569 CD2 HIS A 100 6.650 -13.613 16.435 1.00 23.42 C ATOM 1570 CE1 HIS A 100 7.220 -15.445 17.484 1.00 2.22 C ATOM 1571 NE2 HIS A 100 7.663 -14.502 16.683 1.00 72.04 N ATOM 0 H HIS A 100 5.802 -11.127 17.147 1.00 41.15 H new ATOM 0 HA HIS A 100 3.041 -11.828 17.947 1.00 61.33 H new ATOM 0 HB2 HIS A 100 3.559 -14.186 17.791 1.00 54.02 H new ATOM 0 HB3 HIS A 100 3.744 -13.433 16.219 1.00 54.02 H new ATOM 0 HD2 HIS A 100 6.707 -12.732 15.813 1.00 23.42 H new ATOM 0 HE1 HIS A 100 7.795 -16.282 17.852 1.00 2.22 H new ATOM 0 HE2 HIS A 100 8.609 -14.441 16.306 1.00 72.04 H new ATOM 1580 N HIS A 101 3.831 -12.243 20.299 1.00 12.43 N ATOM 1581 CA HIS A 101 4.246 -12.195 21.710 1.00 2.44 C ATOM 1582 C HIS A 101 5.480 -13.068 22.007 1.00 65.13 C ATOM 1583 O HIS A 101 5.410 -14.297 22.008 1.00 3.13 O ATOM 1584 CB HIS A 101 3.071 -12.594 22.618 1.00 61.32 C ATOM 1585 CG HIS A 101 2.379 -13.862 22.207 1.00 31.32 C ATOM 1586 ND1 HIS A 101 1.290 -13.879 21.363 1.00 11.43 N ATOM 1587 CD2 HIS A 101 2.616 -15.158 22.532 1.00 15.42 C ATOM 1588 CE1 HIS A 101 0.890 -15.122 21.186 1.00 72.10 C ATOM 1589 NE2 HIS A 101 1.675 -15.915 21.883 1.00 44.54 N ATOM 0 H HIS A 101 2.827 -12.369 20.168 1.00 12.43 H new ATOM 0 HA HIS A 101 4.540 -11.167 21.920 1.00 2.44 H new ATOM 0 HB2 HIS A 101 3.437 -12.707 23.638 1.00 61.32 H new ATOM 0 HB3 HIS A 101 2.343 -11.783 22.629 1.00 61.32 H new ATOM 0 HD2 HIS A 101 3.399 -15.524 23.180 1.00 15.42 H new ATOM 0 HE1 HIS A 101 0.059 -15.437 20.573 1.00 72.10 H new ATOM 0 HE2 HIS A 101 1.596 -16.931 21.933 1.00 44.54 H new ATOM 1598 N HIS A 102 6.608 -12.406 22.255 1.00 75.12 N ATOM 1599 CA HIS A 102 7.867 -13.080 22.591 1.00 10.12 C ATOM 1600 C HIS A 102 8.350 -12.673 23.994 1.00 1.30 C ATOM 1601 O HIS A 102 8.098 -11.558 24.448 1.00 71.45 O ATOM 1602 CB HIS A 102 8.936 -12.761 21.536 1.00 5.13 C ATOM 1603 CG HIS A 102 9.101 -11.295 21.249 1.00 4.55 C ATOM 1604 ND1 HIS A 102 9.978 -10.487 21.935 1.00 62.12 N ATOM 1605 CD2 HIS A 102 8.502 -10.495 20.330 1.00 72.15 C ATOM 1606 CE1 HIS A 102 9.914 -9.262 21.458 1.00 62.32 C ATOM 1607 NE2 HIS A 102 9.028 -9.237 20.483 1.00 21.14 N ATOM 0 H HIS A 102 6.678 -11.389 22.230 1.00 75.12 H new ATOM 0 HA HIS A 102 7.692 -14.156 22.596 1.00 10.12 H new ATOM 0 HB2 HIS A 102 9.892 -13.164 21.870 1.00 5.13 H new ATOM 0 HB3 HIS A 102 8.680 -13.275 20.609 1.00 5.13 H new ATOM 0 HD2 HIS A 102 7.752 -10.793 19.613 1.00 72.15 H new ATOM 0 HE1 HIS A 102 10.491 -8.419 21.807 1.00 62.32 H new ATOM 0 HE2 HIS A 102 8.775 -8.417 19.932 1.00 21.14 H new ATOM 1616 N HIS A 103 9.058 -13.573 24.674 1.00 43.00 N ATOM 1617 CA HIS A 103 9.471 -13.335 26.067 1.00 11.33 C ATOM 1618 C HIS A 103 10.789 -14.048 26.409 1.00 72.31 C ATOM 1619 O HIS A 103 11.299 -14.853 25.630 1.00 14.12 O ATOM 1620 CB HIS A 103 8.365 -13.798 27.025 1.00 42.42 C ATOM 1621 CG HIS A 103 7.997 -15.241 26.857 1.00 62.33 C ATOM 1622 ND1 HIS A 103 8.365 -16.228 27.747 1.00 0.52 N ATOM 1623 CD2 HIS A 103 7.294 -15.866 25.883 1.00 45.52 C ATOM 1624 CE1 HIS A 103 7.910 -17.389 27.325 1.00 74.23 C ATOM 1625 NE2 HIS A 103 7.259 -17.198 26.199 1.00 55.00 N ATOM 0 H HIS A 103 9.359 -14.469 24.292 1.00 43.00 H new ATOM 0 HA HIS A 103 9.637 -12.264 26.182 1.00 11.33 H new ATOM 0 HB2 HIS A 103 8.691 -13.631 28.052 1.00 42.42 H new ATOM 0 HB3 HIS A 103 7.478 -13.184 26.868 1.00 42.42 H new ATOM 0 HD2 HIS A 103 6.845 -15.401 25.018 1.00 45.52 H new ATOM 0 HE1 HIS A 103 8.048 -18.339 27.820 1.00 74.23 H new ATOM 0 HE2 HIS A 103 6.801 -17.925 25.649 1.00 55.00 H new ATOM 1634 N HIS A 104 11.330 -13.745 27.587 1.00 14.42 N ATOM 1635 CA HIS A 104 12.571 -14.368 28.062 1.00 54.23 C ATOM 1636 C HIS A 104 12.289 -15.345 29.213 1.00 75.11 C ATOM 1637 O HIS A 104 11.950 -14.927 30.322 1.00 53.01 O ATOM 1638 CB HIS A 104 13.562 -13.290 28.513 1.00 15.02 C ATOM 1639 CG HIS A 104 13.879 -12.291 27.439 1.00 40.31 C ATOM 1640 ND1 HIS A 104 14.822 -12.508 26.457 1.00 31.10 N ATOM 1641 CD2 HIS A 104 13.357 -11.069 27.185 1.00 4.14 C ATOM 1642 CE1 HIS A 104 14.864 -11.466 25.650 1.00 33.35 C ATOM 1643 NE2 HIS A 104 13.986 -10.582 26.069 1.00 61.33 N ATOM 0 H HIS A 104 10.928 -13.068 28.236 1.00 14.42 H new ATOM 0 HA HIS A 104 13.009 -14.931 27.238 1.00 54.23 H new ATOM 0 HB2 HIS A 104 13.152 -12.767 29.377 1.00 15.02 H new ATOM 0 HB3 HIS A 104 14.486 -13.768 28.839 1.00 15.02 H new ATOM 0 HD2 HIS A 104 12.588 -10.570 27.756 1.00 4.14 H new ATOM 0 HE1 HIS A 104 15.510 -11.357 24.791 1.00 33.35 H new ATOM 0 HE2 HIS A 104 13.802 -9.678 25.633 1.00 61.33 H new ATOM 1652 N HIS A 105 12.420 -16.641 28.928 1.00 62.55 N ATOM 1653 CA HIS A 105 12.154 -17.712 29.907 1.00 13.23 C ATOM 1654 C HIS A 105 10.662 -17.764 30.304 1.00 24.41 C ATOM 1655 O HIS A 105 9.873 -18.400 29.572 1.00 38.00 O ATOM 1656 CB HIS A 105 13.054 -17.548 31.148 1.00 54.31 C ATOM 1657 CG HIS A 105 13.004 -18.711 32.092 1.00 50.13 C ATOM 1658 ND1 HIS A 105 12.206 -18.735 33.214 1.00 43.03 N ATOM 1659 CD2 HIS A 105 13.663 -19.895 32.081 1.00 32.45 C ATOM 1660 CE1 HIS A 105 12.372 -19.875 33.848 1.00 60.22 C ATOM 1661 NE2 HIS A 105 13.248 -20.596 33.184 1.00 12.22 N ATOM 1662 OXT HIS A 105 10.281 -17.175 31.338 1.00 38.00 O ATOM 0 H HIS A 105 12.713 -16.985 28.014 1.00 62.55 H new ATOM 0 HA HIS A 105 12.394 -18.663 29.433 1.00 13.23 H new ATOM 0 HB2 HIS A 105 14.084 -17.402 30.821 1.00 54.31 H new ATOM 0 HB3 HIS A 105 12.758 -16.645 31.683 1.00 54.31 H new ATOM 0 HD2 HIS A 105 14.380 -20.224 31.343 1.00 32.45 H new ATOM 0 HE1 HIS A 105 11.873 -20.169 34.760 1.00 60.22 H new ATOM 0 HE2 HIS A 105 13.568 -21.528 33.447 1.00 12.22 H new TER 1671 HIS A 105