USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 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 38 GLN : amide:sc= -1.35! X(o=0.45!,f=0.8) USER MOD Set 1.2: A 43 ASN : amide:sc= 1.81 K(o=0.45,f=-6.3!) USER MOD Set 2.1: A 14 THR OG1 : rot -149:sc= 0.0646 USER MOD Set 2.2: A 62 SER OG : rot 180:sc= 0.0601 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.111 USER MOD Single : A 9 THR OG1 : rot -97:sc= 0.404 USER MOD Single : A 11 ASN : amide:sc= -0.425 K(o=-0.42,f=-11!) USER MOD Single : A 12 HIS : no HD1:sc= 0.00131 X(o=0.0013,f=-0.26) USER MOD Single : A 13 ASN : amide:sc= -0.0233 K(o=-0.023,f=-1.3!) USER MOD Single : A 15 MET CE :methyl -125:sc= -0.406 (180deg=-1.46) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -67:sc= 0.958 USER MOD Single : A 27 THR OG1 : rot -36:sc= 0.0134 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 73:sc= 0.551 USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00796 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.21 F(o=-0.8,f=-0.21) USER MOD Single : A 58 MET CE :methyl -165:sc= -0.02 (180deg=-0.289) USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 1.04 (180deg=1.03) USER MOD Single : A 67 ASN : amide:sc= -0.0499 K(o=-0.05,f=-1.2) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -11.210 3.781 4.038 1.00 50.00 N ATOM 21 CA LYS A 2 -10.741 5.146 4.250 1.00 50.00 C ATOM 22 C LYS A 2 -9.537 5.177 5.181 1.00 50.00 C ATOM 23 O LYS A 2 -9.591 4.665 6.299 1.00 50.00 O ATOM 24 CB LYS A 2 -11.864 6.017 4.812 1.00 50.00 C ATOM 25 CG LYS A 2 -11.504 7.490 4.961 1.00 50.00 C ATOM 26 CD LYS A 2 -12.725 8.326 5.312 1.00 50.00 C ATOM 27 CE LYS A 2 -12.342 9.766 5.619 1.00 75.00 C ATOM 28 NZ LYS A 2 -13.536 10.628 5.824 1.00 75.00 N ATOM 0 HA LYS A 2 -10.434 5.546 3.284 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -12.734 5.932 4.160 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -12.157 5.627 5.787 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.747 7.605 5.737 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -11.066 7.855 4.032 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -13.433 8.305 4.483 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -13.230 7.891 6.174 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -11.718 9.793 6.512 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -11.743 10.165 4.800 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -13.231 11.600 6.031 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -14.119 10.624 4.963 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -14.094 10.264 6.622 1.00 75.00 H new ATOM 42 N ILE A 3 -8.450 5.782 4.714 1.00 50.00 N ATOM 43 CA ILE A 3 -7.184 5.747 5.436 1.00 50.00 C ATOM 44 C ILE A 3 -7.253 6.579 6.711 1.00 50.00 C ATOM 45 O ILE A 3 -7.948 7.593 6.765 1.00 50.00 O ATOM 46 CB ILE A 3 -6.021 6.256 4.565 1.00 50.00 C ATOM 47 CG1 ILE A 3 -4.677 5.867 5.186 1.00 50.00 C ATOM 48 CG2 ILE A 3 -6.112 7.764 4.386 1.00 50.00 C ATOM 49 CD1 ILE A 3 -3.498 6.058 4.259 1.00 50.00 C ATOM 0 H ILE A 3 -8.421 6.303 3.838 1.00 50.00 H new ATOM 0 HA ILE A 3 -7.001 4.704 5.696 1.00 50.00 H new ATOM 0 HB ILE A 3 -6.093 5.788 3.583 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -4.519 6.460 6.087 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -4.719 4.823 5.495 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -5.283 8.108 3.768 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -7.055 8.017 3.901 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -6.064 8.250 5.361 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -2.582 5.761 4.770 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -3.632 5.444 3.368 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.429 7.107 3.970 1.00 50.00 H new ATOM 61 N ILE A 4 -6.528 6.143 7.737 1.00 10.00 N ATOM 62 CA ILE A 4 -6.392 6.919 8.963 1.00 10.00 C ATOM 63 C ILE A 4 -5.020 7.573 9.051 1.00 10.00 C ATOM 64 O ILE A 4 -4.909 8.788 9.226 1.00 50.00 O ATOM 65 CB ILE A 4 -6.616 6.046 10.211 1.00 50.00 C ATOM 66 CG1 ILE A 4 -8.037 5.476 10.216 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.357 6.851 11.476 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.282 4.456 11.304 1.00 50.00 C ATOM 0 H ILE A 4 -6.026 5.255 7.743 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.158 7.694 8.932 1.00 10.00 H new ATOM 0 HB ILE A 4 -5.912 5.214 10.184 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.746 6.295 10.333 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.237 5.016 9.248 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -6.520 6.219 12.349 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.328 7.210 11.475 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.038 7.702 11.512 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.310 4.099 11.243 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -7.598 3.617 11.177 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.115 4.916 12.278 1.00 50.00 H new ATOM 80 N SER A 5 -3.974 6.763 8.930 1.00 10.00 N ATOM 81 CA SER A 5 -2.606 7.259 9.011 1.00 10.00 C ATOM 82 C SER A 5 -1.622 6.263 8.410 1.00 10.00 C ATOM 83 O SER A 5 -1.956 5.099 8.196 1.00 50.00 O ATOM 84 CB SER A 5 -2.243 7.556 10.453 1.00 50.00 C ATOM 85 OG SER A 5 -2.182 6.392 11.231 1.00 50.00 O ATOM 0 H SER A 5 -4.048 5.758 8.775 1.00 10.00 H new ATOM 0 HA SER A 5 -2.544 8.181 8.433 1.00 10.00 H new ATOM 0 HB2 SER A 5 -1.280 8.065 10.487 1.00 50.00 H new ATOM 0 HB3 SER A 5 -2.979 8.238 10.879 1.00 50.00 H new ATOM 0 HG SER A 5 -1.944 6.626 12.152 1.00 50.00 H new ATOM 91 N ILE A 6 -0.407 6.729 8.141 1.00 10.00 N ATOM 92 CA ILE A 6 0.663 5.854 7.677 1.00 10.00 C ATOM 93 C ILE A 6 1.874 5.930 8.598 1.00 10.00 C ATOM 94 O ILE A 6 2.443 7.002 8.803 1.00 50.00 O ATOM 95 CB ILE A 6 1.098 6.204 6.242 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.088 6.088 5.281 1.00 50.00 C ATOM 97 CG2 ILE A 6 2.238 5.302 5.797 1.00 50.00 C ATOM 98 CD1 ILE A 6 0.224 6.525 3.870 1.00 50.00 C ATOM 0 H ILE A 6 -0.139 7.708 8.236 1.00 10.00 H new ATOM 0 HA ILE A 6 0.266 4.839 7.688 1.00 10.00 H new ATOM 0 HB ILE A 6 1.452 7.235 6.229 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.429 5.053 5.263 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -0.913 6.689 5.663 1.00 50.00 H new ATOM 0 HG21 ILE A 6 2.533 5.563 4.781 1.00 50.00 H new ATOM 0 HG22 ILE A 6 3.088 5.433 6.467 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.911 4.262 5.824 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -0.665 6.414 3.250 1.00 50.00 H new ATOM 0 HD12 ILE A 6 0.536 7.569 3.873 1.00 50.00 H new ATOM 0 HD13 ILE A 6 1.027 5.908 3.467 1.00 50.00 H new ATOM 110 N SER A 7 2.263 4.787 9.151 1.00 10.00 N ATOM 111 CA SER A 7 3.369 4.731 10.099 1.00 10.00 C ATOM 112 C SER A 7 4.585 4.049 9.486 1.00 10.00 C ATOM 113 O SER A 7 4.482 3.387 8.453 1.00 50.00 O ATOM 114 CB SER A 7 2.940 4.012 11.362 1.00 50.00 C ATOM 115 OG SER A 7 2.605 2.674 11.118 1.00 50.00 O ATOM 0 H SER A 7 1.828 3.885 8.959 1.00 10.00 H new ATOM 0 HA SER A 7 3.650 5.753 10.353 1.00 10.00 H new ATOM 0 HB2 SER A 7 3.745 4.056 12.095 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.084 4.526 11.798 1.00 50.00 H new ATOM 0 HG SER A 7 2.336 2.246 11.957 1.00 50.00 H new ATOM 121 N GLU A 8 5.737 4.213 10.129 1.00 10.00 N ATOM 122 CA GLU A 8 6.976 3.621 9.642 1.00 50.00 C ATOM 123 C GLU A 8 7.186 2.228 10.219 1.00 10.00 C ATOM 124 O GLU A 8 6.486 1.816 11.143 1.00 50.00 O ATOM 125 CB GLU A 8 8.169 4.518 9.984 1.00 50.00 C ATOM 126 CG GLU A 8 8.152 5.876 9.297 1.00 50.00 C ATOM 127 CD GLU A 8 9.317 6.721 9.730 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.025 6.314 10.620 1.00 50.00 O ATOM 129 OE2 GLU A 8 9.567 7.722 9.099 1.00 50.00 O ATOM 0 H GLU A 8 5.837 4.752 10.989 1.00 10.00 H new ATOM 0 HA GLU A 8 6.899 3.532 8.558 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.196 4.671 11.063 1.00 50.00 H new ATOM 0 HB3 GLU A 8 9.088 3.999 9.713 1.00 50.00 H new ATOM 0 HG2 GLU A 8 8.181 5.740 8.216 1.00 50.00 H new ATOM 0 HG3 GLU A 8 7.220 6.392 9.529 1.00 50.00 H new ATOM 136 N THR A 9 8.156 1.506 9.670 1.00 50.00 N ATOM 137 CA THR A 9 8.469 0.160 10.137 1.00 10.00 C ATOM 138 C THR A 9 9.972 -0.034 10.295 1.00 10.00 C ATOM 139 O THR A 9 10.765 0.775 9.812 1.00 50.00 O ATOM 140 CB THR A 9 7.922 -0.912 9.178 1.00 50.00 C ATOM 141 OG1 THR A 9 8.714 -0.936 7.983 1.00 50.00 O ATOM 142 CG2 THR A 9 6.474 -0.617 8.817 1.00 50.00 C ATOM 0 H THR A 9 8.740 1.831 8.900 1.00 50.00 H new ATOM 0 HA THR A 9 7.987 0.046 11.108 1.00 10.00 H new ATOM 0 HB THR A 9 7.971 -1.881 9.674 1.00 50.00 H new ATOM 0 HG1 THR A 9 8.275 -0.401 7.289 1.00 50.00 H new ATOM 0 HG21 THR A 9 6.104 -1.386 8.138 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.867 -0.610 9.723 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.411 0.357 8.331 1.00 50.00 H new ATOM 150 N PRO A 10 10.357 -1.109 10.974 1.00 50.00 N ATOM 151 CA PRO A 10 11.766 -1.420 11.181 1.00 50.00 C ATOM 152 C PRO A 10 12.521 -1.458 9.860 1.00 50.00 C ATOM 153 O PRO A 10 13.702 -1.115 9.798 1.00 50.00 O ATOM 154 CB PRO A 10 11.750 -2.785 11.876 1.00 50.00 C ATOM 155 CG PRO A 10 10.435 -2.828 12.579 1.00 50.00 C ATOM 156 CD PRO A 10 9.476 -2.100 11.675 1.00 50.00 C ATOM 0 HA PRO A 10 12.281 -0.667 11.777 1.00 50.00 H new ATOM 0 HB2 PRO A 10 11.843 -3.598 11.156 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.579 -2.884 12.577 1.00 50.00 H new ATOM 0 HG2 PRO A 10 10.113 -3.856 12.748 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.496 -2.348 13.556 1.00 50.00 H new ATOM 0 HD2 PRO A 10 8.992 -2.777 10.972 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.684 -1.607 12.240 1.00 50.00 H new ATOM 164 N ASN A 11 11.835 -1.879 8.803 1.00 50.00 N ATOM 165 CA ASN A 11 12.394 -1.832 7.457 1.00 50.00 C ATOM 166 C ASN A 11 11.847 -0.644 6.674 1.00 50.00 C ATOM 167 O ASN A 11 10.673 -0.619 6.307 1.00 50.00 O ATOM 168 CB ASN A 11 12.133 -3.122 6.702 1.00 50.00 C ATOM 169 CG ASN A 11 12.785 -3.173 5.348 1.00 50.00 C ATOM 170 OD1 ASN A 11 13.214 -2.149 4.804 1.00 75.00 O ATOM 171 ND2 ASN A 11 12.787 -4.345 4.766 1.00 50.00 N ATOM 0 H ASN A 11 10.889 -2.257 8.853 1.00 50.00 H new ATOM 0 HA ASN A 11 13.472 -1.710 7.561 1.00 50.00 H new ATOM 0 HB2 ASN A 11 12.490 -3.961 7.299 1.00 50.00 H new ATOM 0 HB3 ASN A 11 11.057 -3.251 6.582 1.00 50.00 H new ATOM 0 HD21 ASN A 11 13.154 -4.444 3.820 1.00 50.00 H new ATOM 0 HD22 ASN A 11 12.421 -5.160 5.259 1.00 50.00 H new ATOM 178 N HIS A 12 12.706 0.338 6.425 1.00 50.00 N ATOM 179 CA HIS A 12 12.269 1.615 5.875 1.00 50.00 C ATOM 180 C HIS A 12 11.823 1.468 4.426 1.00 50.00 C ATOM 181 O HIS A 12 11.238 2.384 3.850 1.00 50.00 O ATOM 182 CB HIS A 12 13.386 2.658 5.976 1.00 50.00 C ATOM 183 CG HIS A 12 14.532 2.404 5.045 1.00 50.00 C ATOM 184 ND1 HIS A 12 15.530 1.496 5.327 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.837 2.939 3.840 1.00 50.00 C ATOM 186 CE1 HIS A 12 16.402 1.483 4.332 1.00 75.00 C ATOM 187 NE2 HIS A 12 16.005 2.350 3.420 1.00 75.00 N ATOM 0 H HIS A 12 13.710 0.274 6.596 1.00 50.00 H new ATOM 0 HA HIS A 12 11.416 1.953 6.463 1.00 50.00 H new ATOM 0 HB2 HIS A 12 12.971 3.644 5.767 1.00 50.00 H new ATOM 0 HB3 HIS A 12 13.759 2.680 7.000 1.00 50.00 H new ATOM 0 HD2 HIS A 12 14.269 3.688 3.308 1.00 50.00 H new ATOM 0 HE1 HIS A 12 17.288 0.868 4.276 1.00 75.00 H new ATOM 0 HE2 HIS A 12 16.488 2.551 2.544 1.00 75.00 H new ATOM 195 N ASN A 13 12.104 0.307 3.841 1.00 10.00 N ATOM 196 CA ASN A 13 11.741 0.041 2.454 1.00 10.00 C ATOM 197 C ASN A 13 10.262 -0.300 2.327 1.00 10.00 C ATOM 198 O ASN A 13 9.730 -0.400 1.222 1.00 50.00 O ATOM 199 CB ASN A 13 12.589 -1.068 1.863 1.00 50.00 C ATOM 200 CG ASN A 13 14.006 -0.659 1.575 1.00 50.00 C ATOM 201 OD1 ASN A 13 14.339 0.530 1.549 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.826 -1.636 1.276 1.00 50.00 N ATOM 0 H ASN A 13 12.582 -0.464 4.307 1.00 10.00 H new ATOM 0 HA ASN A 13 11.933 0.954 1.890 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.597 -1.913 2.552 1.00 50.00 H new ATOM 0 HB3 ASN A 13 12.126 -1.414 0.939 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.788 -1.430 1.007 1.00 50.00 H new ATOM 0 HD22 ASN A 13 14.502 -2.603 1.313 1.00 50.00 H new ATOM 209 N THR A 14 9.601 -0.478 3.467 1.00 10.00 N ATOM 210 CA THR A 14 8.168 -0.737 3.488 1.00 10.00 C ATOM 211 C THR A 14 7.471 0.104 4.550 1.00 10.00 C ATOM 212 O THR A 14 8.045 0.393 5.601 1.00 50.00 O ATOM 213 CB THR A 14 7.864 -2.223 3.747 1.00 50.00 C ATOM 214 OG1 THR A 14 6.445 -2.434 3.742 1.00 50.00 O ATOM 215 CG2 THR A 14 8.432 -2.658 5.089 1.00 50.00 C ATOM 0 H THR A 14 10.037 -0.447 4.389 1.00 10.00 H new ATOM 0 HA THR A 14 7.788 -0.464 2.504 1.00 10.00 H new ATOM 0 HB THR A 14 8.328 -2.814 2.958 1.00 50.00 H new ATOM 0 HG1 THR A 14 6.221 -3.167 4.353 1.00 50.00 H new ATOM 0 HG21 THR A 14 8.207 -3.712 5.255 1.00 50.00 H new ATOM 0 HG22 THR A 14 9.512 -2.513 5.091 1.00 50.00 H new ATOM 0 HG23 THR A 14 7.984 -2.062 5.884 1.00 50.00 H new ATOM 223 N MET A 15 6.233 0.494 4.272 1.00 10.00 N ATOM 224 CA MET A 15 5.471 1.336 5.186 1.00 10.00 C ATOM 225 C MET A 15 4.210 0.628 5.665 1.00 10.00 C ATOM 226 O MET A 15 3.691 -0.263 4.992 1.00 50.00 O ATOM 227 CB MET A 15 5.108 2.657 4.512 1.00 50.00 C ATOM 228 CG MET A 15 6.305 3.518 4.131 1.00 50.00 C ATOM 229 SD MET A 15 7.154 4.204 5.567 1.00 50.00 S ATOM 230 CE MET A 15 5.939 5.387 6.143 1.00 50.00 C ATOM 0 H MET A 15 5.734 0.240 3.419 1.00 10.00 H new ATOM 0 HA MET A 15 6.097 1.540 6.055 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.527 2.445 3.614 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.464 3.227 5.181 1.00 50.00 H new ATOM 0 HG2 MET A 15 7.007 2.920 3.550 1.00 50.00 H new ATOM 0 HG3 MET A 15 5.972 4.332 3.488 1.00 50.00 H new ATOM 0 HE1 MET A 15 6.397 6.374 6.214 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.105 5.423 5.442 1.00 50.00 H new ATOM 0 HE3 MET A 15 5.574 5.085 7.125 1.00 50.00 H new ATOM 240 N LYS A 16 3.720 1.027 6.835 1.00 10.00 N ATOM 241 CA LYS A 16 2.507 0.446 7.397 1.00 10.00 C ATOM 242 C LYS A 16 1.334 1.412 7.289 1.00 10.00 C ATOM 243 O LYS A 16 1.425 2.563 7.718 1.00 50.00 O ATOM 244 CB LYS A 16 2.729 0.048 8.857 1.00 50.00 C ATOM 245 CG LYS A 16 1.523 -0.600 9.522 1.00 50.00 C ATOM 246 CD LYS A 16 1.790 -0.890 10.991 1.00 50.00 C ATOM 247 CE LYS A 16 0.584 -1.531 11.658 1.00 50.00 C ATOM 248 NZ LYS A 16 0.835 -1.832 13.094 1.00 50.00 N ATOM 0 H LYS A 16 4.146 1.752 7.413 1.00 10.00 H new ATOM 0 HA LYS A 16 2.267 -0.448 6.821 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.571 -0.642 8.909 1.00 50.00 H new ATOM 0 HB3 LYS A 16 3.008 0.936 9.425 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.658 0.057 9.430 1.00 50.00 H new ATOM 0 HG3 LYS A 16 1.275 -1.527 9.005 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.652 -1.551 11.082 1.00 50.00 H new ATOM 0 HD3 LYS A 16 2.043 0.037 11.506 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.274 -0.865 11.572 1.00 50.00 H new ATOM 0 HE3 LYS A 16 0.327 -2.452 11.134 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.012 -2.268 13.511 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.638 -2.488 13.176 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 1.055 -0.951 13.600 1.00 50.00 H new ATOM 262 N ILE A 17 0.235 0.938 6.715 1.00 10.00 N ATOM 263 CA ILE A 17 -0.932 1.781 6.482 1.00 10.00 C ATOM 264 C ILE A 17 -2.113 1.333 7.334 1.00 10.00 C ATOM 265 O ILE A 17 -2.535 0.177 7.270 1.00 50.00 O ATOM 266 CB ILE A 17 -1.347 1.772 5.000 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.193 2.257 4.118 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.581 2.637 4.789 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.408 2.016 2.642 1.00 50.00 C ATOM 0 H ILE A 17 0.127 -0.027 6.402 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.649 2.795 6.764 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.591 0.749 4.715 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.045 3.324 4.284 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.724 1.756 4.428 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -2.861 2.620 3.736 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.404 2.250 5.390 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.363 3.662 5.090 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.452 2.386 2.084 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.525 0.948 2.461 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.306 2.540 2.315 1.00 50.00 H new ATOM 281 N THR A 18 -2.644 2.254 8.131 1.00 10.00 N ATOM 282 CA THR A 18 -3.788 1.960 8.985 1.00 10.00 C ATOM 283 C THR A 18 -5.084 2.465 8.365 1.00 10.00 C ATOM 284 O THR A 18 -5.227 3.655 8.085 1.00 50.00 O ATOM 285 CB THR A 18 -3.624 2.584 10.384 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.464 2.035 11.022 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.849 2.303 11.240 1.00 50.00 C ATOM 0 H THR A 18 -2.300 3.211 8.203 1.00 10.00 H new ATOM 0 HA THR A 18 -3.835 0.875 9.083 1.00 10.00 H new ATOM 0 HB THR A 18 -3.510 3.662 10.273 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.360 2.434 11.911 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.715 2.751 12.225 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.732 2.730 10.764 1.00 50.00 H new ATOM 0 HG23 THR A 18 -4.979 1.226 11.346 1.00 50.00 H new ATOM 295 N LEU A 19 -6.027 1.552 8.151 1.00 10.00 N ATOM 296 CA LEU A 19 -7.303 1.899 7.539 1.00 50.00 C ATOM 297 C LEU A 19 -8.442 1.803 8.547 1.00 10.00 C ATOM 298 O LEU A 19 -8.391 1.002 9.481 1.00 50.00 O ATOM 299 CB LEU A 19 -7.578 0.990 6.335 1.00 50.00 C ATOM 300 CG LEU A 19 -6.467 0.952 5.277 1.00 50.00 C ATOM 301 CD1 LEU A 19 -6.829 -0.033 4.174 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.261 2.348 4.708 1.00 50.00 C ATOM 0 H LEU A 19 -5.930 0.566 8.393 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.244 2.932 7.197 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.748 -0.024 6.697 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.502 1.317 5.857 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.537 0.620 5.738 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -6.034 -0.052 3.428 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -6.951 -1.029 4.601 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -7.762 0.276 3.702 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.472 2.322 3.956 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.187 2.694 4.250 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -5.976 3.029 5.510 1.00 50.00 H new ATOM 314 N SER A 20 -9.470 2.623 8.351 1.00 10.00 N ATOM 315 CA SER A 20 -10.702 2.503 9.121 1.00 10.00 C ATOM 316 C SER A 20 -11.598 1.408 8.557 1.00 50.00 C ATOM 317 O SER A 20 -12.265 0.693 9.305 1.00 50.00 O ATOM 318 CB SER A 20 -11.436 3.830 9.139 1.00 50.00 C ATOM 319 OG SER A 20 -11.897 4.194 7.868 1.00 50.00 O ATOM 0 H SER A 20 -9.474 3.378 7.665 1.00 10.00 H new ATOM 0 HA SER A 20 -10.440 2.228 10.143 1.00 10.00 H new ATOM 0 HB2 SER A 20 -12.280 3.768 9.826 1.00 50.00 H new ATOM 0 HB3 SER A 20 -10.772 4.606 9.519 1.00 50.00 H new ATOM 0 HG SER A 20 -11.133 4.386 7.286 1.00 50.00 H new ATOM 414 N THR A 27 -8.896 -10.594 6.330 1.00 50.00 N ATOM 415 CA THR A 27 -7.922 -11.674 6.440 1.00 50.00 C ATOM 416 C THR A 27 -6.662 -11.362 5.643 1.00 50.00 C ATOM 417 O THR A 27 -6.602 -10.367 4.923 1.00 50.00 O ATOM 418 CB THR A 27 -8.507 -13.014 5.956 1.00 50.00 C ATOM 419 OG1 THR A 27 -8.776 -12.940 4.550 1.00 50.00 O ATOM 420 CG2 THR A 27 -9.795 -13.334 6.698 1.00 75.00 C ATOM 0 HA THR A 27 -7.667 -11.761 7.496 1.00 50.00 H new ATOM 0 HB THR A 27 -7.781 -13.802 6.154 1.00 50.00 H new ATOM 0 HG1 THR A 27 -9.088 -12.039 4.324 1.00 50.00 H new ATOM 0 HG21 THR A 27 -10.193 -14.284 6.342 1.00 75.00 H new ATOM 0 HG22 THR A 27 -9.592 -13.403 7.767 1.00 75.00 H new ATOM 0 HG23 THR A 27 -10.525 -12.545 6.518 1.00 75.00 H new ATOM 428 N SER A 28 -5.658 -12.222 5.775 1.00 10.00 N ATOM 429 CA SER A 28 -4.369 -11.999 5.132 1.00 10.00 C ATOM 430 C SER A 28 -4.451 -12.261 3.633 1.00 10.00 C ATOM 431 O SER A 28 -5.224 -13.105 3.181 1.00 50.00 O ATOM 432 CB SER A 28 -3.309 -12.881 5.763 1.00 50.00 C ATOM 433 OG SER A 28 -3.539 -14.241 5.515 1.00 50.00 O ATOM 0 H SER A 28 -5.713 -13.081 6.322 1.00 10.00 H new ATOM 0 HA SER A 28 -4.093 -10.955 5.278 1.00 10.00 H new ATOM 0 HB2 SER A 28 -2.329 -12.603 5.375 1.00 50.00 H new ATOM 0 HB3 SER A 28 -3.287 -12.708 6.839 1.00 50.00 H new ATOM 0 HG SER A 28 -2.833 -14.774 5.937 1.00 50.00 H new ATOM 439 N ASP A 29 -3.648 -11.529 2.866 1.00 10.00 N ATOM 440 CA ASP A 29 -3.541 -11.761 1.430 1.00 10.00 C ATOM 441 C ASP A 29 -2.285 -11.116 0.861 1.00 10.00 C ATOM 442 O ASP A 29 -1.712 -10.208 1.464 1.00 50.00 O ATOM 443 CB ASP A 29 -4.780 -11.226 0.707 1.00 50.00 C ATOM 444 CG ASP A 29 -5.050 -11.878 -0.642 1.00 50.00 C ATOM 445 OD1 ASP A 29 -4.266 -12.703 -1.049 1.00 50.00 O ATOM 446 OD2 ASP A 29 -6.111 -11.666 -1.179 1.00 50.00 O ATOM 0 H ASP A 29 -3.062 -10.771 3.215 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.475 -12.837 1.270 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.650 -11.370 1.347 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.666 -10.152 0.562 1.00 50.00 H new ATOM 451 N THR A 30 -1.859 -11.589 -0.304 1.00 10.00 N ATOM 452 CA THR A 30 -0.661 -11.068 -0.952 1.00 10.00 C ATOM 453 C THR A 30 -0.988 -10.469 -2.314 1.00 10.00 C ATOM 454 O THR A 30 -1.673 -11.089 -3.128 1.00 50.00 O ATOM 455 CB THR A 30 0.409 -12.162 -1.127 1.00 50.00 C ATOM 456 OG1 THR A 30 0.783 -12.678 0.156 1.00 50.00 O ATOM 457 CG2 THR A 30 1.640 -11.598 -1.821 1.00 50.00 C ATOM 0 H THR A 30 -2.326 -12.334 -0.820 1.00 10.00 H new ATOM 0 HA THR A 30 -0.266 -10.288 -0.301 1.00 10.00 H new ATOM 0 HB THR A 30 -0.007 -12.961 -1.740 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.462 -13.375 0.043 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.385 -12.385 -1.936 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.361 -11.216 -2.803 1.00 50.00 H new ATOM 0 HG23 THR A 30 2.057 -10.789 -1.222 1.00 50.00 H new ATOM 465 N TYR A 31 -0.495 -9.259 -2.557 1.00 10.00 N ATOM 466 CA TYR A 31 -0.768 -8.558 -3.806 1.00 10.00 C ATOM 467 C TYR A 31 0.522 -8.082 -4.464 1.00 10.00 C ATOM 468 O TYR A 31 1.284 -7.314 -3.876 1.00 50.00 O ATOM 469 CB TYR A 31 -1.700 -7.369 -3.557 1.00 50.00 C ATOM 470 CG TYR A 31 -3.037 -7.752 -2.962 1.00 50.00 C ATOM 471 CD1 TYR A 31 -3.986 -8.423 -3.720 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.347 -7.439 -1.647 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.208 -8.775 -3.180 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.566 -7.788 -1.098 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.495 -8.455 -1.869 1.00 50.00 C ATOM 476 OH TYR A 31 -6.711 -8.803 -1.328 1.00 50.00 O ATOM 0 H TYR A 31 0.096 -8.743 -1.905 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.257 -9.258 -4.483 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.204 -6.665 -2.889 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -1.869 -6.849 -4.500 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -3.766 -8.674 -4.747 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.623 -6.913 -1.042 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -5.936 -9.299 -3.782 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.790 -7.540 -0.071 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.734 -9.770 -1.170 1.00 50.00 H new ATOM 486 N THR A 32 0.760 -8.542 -5.687 1.00 10.00 N ATOM 487 CA THR A 32 2.002 -8.243 -6.389 1.00 10.00 C ATOM 488 C THR A 32 1.733 -7.498 -7.691 1.00 10.00 C ATOM 489 O THR A 32 2.458 -6.570 -8.047 1.00 50.00 O ATOM 490 CB THR A 32 2.798 -9.523 -6.698 1.00 50.00 C ATOM 491 OG1 THR A 32 2.033 -10.370 -7.563 1.00 50.00 O ATOM 492 CG2 THR A 32 3.117 -10.275 -5.414 1.00 50.00 C ATOM 0 H THR A 32 0.108 -9.124 -6.213 1.00 10.00 H new ATOM 0 HA THR A 32 2.592 -7.610 -5.727 1.00 10.00 H new ATOM 0 HB THR A 32 3.731 -9.242 -7.186 1.00 50.00 H new ATOM 0 HG1 THR A 32 2.543 -11.183 -7.759 1.00 50.00 H new ATOM 0 HG21 THR A 32 3.680 -11.178 -5.651 1.00 50.00 H new ATOM 0 HG22 THR A 32 3.711 -9.639 -4.758 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.189 -10.548 -4.912 1.00 50.00 H new ATOM 500 N LYS A 33 0.689 -7.914 -8.399 1.00 10.00 N ATOM 501 CA LYS A 33 0.351 -7.321 -9.688 1.00 50.00 C ATOM 502 C LYS A 33 -1.119 -6.929 -9.747 1.00 50.00 C ATOM 503 O LYS A 33 -1.954 -7.507 -9.051 1.00 50.00 O ATOM 504 CB LYS A 33 0.683 -8.288 -10.826 1.00 50.00 C ATOM 505 CG LYS A 33 2.169 -8.585 -10.986 1.00 50.00 C ATOM 506 CD LYS A 33 2.423 -9.519 -12.159 1.00 50.00 C ATOM 507 CE LYS A 33 3.903 -9.837 -12.304 1.00 75.00 C ATOM 508 NZ LYS A 33 4.167 -10.749 -13.449 1.00 75.00 N ATOM 0 H LYS A 33 0.061 -8.661 -8.102 1.00 10.00 H new ATOM 0 HA LYS A 33 0.949 -6.417 -9.805 1.00 50.00 H new ATOM 0 HB2 LYS A 33 0.154 -9.226 -10.656 1.00 50.00 H new ATOM 0 HB3 LYS A 33 0.305 -7.874 -11.761 1.00 50.00 H new ATOM 0 HG2 LYS A 33 2.714 -7.653 -11.136 1.00 50.00 H new ATOM 0 HG3 LYS A 33 2.553 -9.035 -10.070 1.00 50.00 H new ATOM 0 HD2 LYS A 33 1.863 -10.443 -12.018 1.00 50.00 H new ATOM 0 HD3 LYS A 33 2.056 -9.061 -13.077 1.00 50.00 H new ATOM 0 HE2 LYS A 33 4.461 -8.911 -12.442 1.00 75.00 H new ATOM 0 HE3 LYS A 33 4.267 -10.295 -11.384 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 5.187 -10.940 -13.512 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 3.655 -11.643 -13.306 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 3.843 -10.302 -14.331 1.00 75.00 H new ATOM 522 N VAL A 34 -1.430 -5.942 -10.581 1.00 50.00 N ATOM 523 CA VAL A 34 -2.801 -5.473 -10.735 1.00 50.00 C ATOM 524 C VAL A 34 -3.704 -6.574 -11.275 1.00 50.00 C ATOM 525 O VAL A 34 -3.355 -7.260 -12.236 1.00 50.00 O ATOM 526 CB VAL A 34 -2.881 -4.253 -11.673 1.00 50.00 C ATOM 527 CG1 VAL A 34 -4.330 -3.904 -11.972 1.00 50.00 C ATOM 528 CG2 VAL A 34 -2.163 -3.061 -11.057 1.00 50.00 C ATOM 0 H VAL A 34 -0.749 -5.451 -11.161 1.00 50.00 H new ATOM 0 HA VAL A 34 -3.144 -5.180 -9.743 1.00 50.00 H new ATOM 0 HB VAL A 34 -2.388 -4.507 -12.611 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -4.367 -3.040 -12.636 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -4.817 -4.752 -12.453 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.847 -3.669 -11.042 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -2.229 -2.208 -11.732 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.630 -2.807 -10.105 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -1.115 -3.313 -10.892 1.00 50.00 H new ATOM 538 N ASP A 35 -4.865 -6.741 -10.651 1.00 50.00 N ATOM 539 CA ASP A 35 -5.803 -7.786 -11.042 1.00 50.00 C ATOM 540 C ASP A 35 -7.224 -7.439 -10.619 1.00 50.00 C ATOM 541 O ASP A 35 -7.432 -6.609 -9.734 1.00 50.00 O ATOM 542 CB ASP A 35 -5.389 -9.132 -10.440 1.00 50.00 C ATOM 543 CG ASP A 35 -5.946 -10.346 -11.171 1.00 50.00 C ATOM 544 OD1 ASP A 35 -6.634 -10.163 -12.147 1.00 50.00 O ATOM 545 OD2 ASP A 35 -5.554 -11.441 -10.845 1.00 50.00 O ATOM 0 H ASP A 35 -5.179 -6.164 -9.871 1.00 50.00 H new ATOM 0 HA ASP A 35 -5.781 -7.862 -12.129 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.301 -9.194 -10.434 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.716 -9.167 -9.401 1.00 50.00 H new ATOM 550 N ASP A 36 -8.198 -8.078 -11.257 1.00 50.00 N ATOM 551 CA ASP A 36 -9.602 -7.743 -11.043 1.00 50.00 C ATOM 552 C ASP A 36 -10.083 -8.231 -9.682 1.00 50.00 C ATOM 553 O ASP A 36 -10.862 -7.554 -9.009 1.00 50.00 O ATOM 554 CB ASP A 36 -10.471 -8.340 -12.152 1.00 50.00 C ATOM 555 CG ASP A 36 -10.344 -7.636 -13.497 1.00 50.00 C ATOM 556 OD1 ASP A 36 -9.799 -6.558 -13.533 1.00 50.00 O ATOM 557 OD2 ASP A 36 -10.651 -8.245 -14.495 1.00 50.00 O ATOM 0 H ASP A 36 -8.042 -8.831 -11.927 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.693 -6.657 -11.068 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.207 -9.390 -12.279 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.514 -8.309 -11.836 1.00 50.00 H new ATOM 562 N SER A 37 -9.616 -9.408 -9.282 1.00 50.00 N ATOM 563 CA SER A 37 -10.020 -10.001 -8.013 1.00 50.00 C ATOM 564 C SER A 37 -9.508 -9.183 -6.835 1.00 50.00 C ATOM 565 O SER A 37 -10.016 -9.297 -5.719 1.00 50.00 O ATOM 566 CB SER A 37 -9.518 -11.428 -7.921 1.00 50.00 C ATOM 567 OG SER A 37 -8.118 -11.493 -7.867 1.00 50.00 O ATOM 0 H SER A 37 -8.956 -9.971 -9.819 1.00 50.00 H new ATOM 0 HA SER A 37 -11.109 -10.004 -7.971 1.00 50.00 H new ATOM 0 HB2 SER A 37 -9.937 -11.903 -7.034 1.00 50.00 H new ATOM 0 HB3 SER A 37 -9.874 -11.993 -8.783 1.00 50.00 H new ATOM 0 HG SER A 37 -7.836 -12.430 -7.807 1.00 50.00 H new ATOM 573 N GLN A 38 -8.499 -8.355 -7.089 1.00 50.00 N ATOM 574 CA GLN A 38 -7.893 -7.542 -6.042 1.00 50.00 C ATOM 575 C GLN A 38 -8.651 -6.235 -5.850 1.00 50.00 C ATOM 576 O GLN A 38 -9.242 -5.705 -6.791 1.00 50.00 O ATOM 577 CB GLN A 38 -6.429 -7.245 -6.374 1.00 50.00 C ATOM 578 CG GLN A 38 -5.594 -8.480 -6.673 1.00 50.00 C ATOM 579 CD GLN A 38 -4.202 -8.133 -7.167 1.00 50.00 C ATOM 580 OE1 GLN A 38 -3.315 -8.989 -7.219 1.00 75.00 O ATOM 581 NE2 GLN A 38 -4.002 -6.870 -7.529 1.00 50.00 N ATOM 0 H GLN A 38 -8.084 -8.230 -8.012 1.00 50.00 H new ATOM 0 HA GLN A 38 -7.943 -8.110 -5.113 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.392 -6.578 -7.235 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -5.980 -6.710 -5.537 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -5.515 -9.089 -5.772 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -6.102 -9.086 -7.423 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -4.765 -6.196 -7.469 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -3.086 -6.575 -7.866 1.00 50.00 H new ATOM 590 N PRO A 39 -8.633 -5.720 -4.626 1.00 50.00 N ATOM 591 CA PRO A 39 -9.222 -4.419 -4.333 1.00 50.00 C ATOM 592 C PRO A 39 -8.727 -3.358 -5.306 1.00 50.00 C ATOM 593 O PRO A 39 -7.525 -3.232 -5.544 1.00 50.00 O ATOM 594 CB PRO A 39 -8.789 -4.128 -2.892 1.00 50.00 C ATOM 595 CG PRO A 39 -8.563 -5.473 -2.292 1.00 50.00 C ATOM 596 CD PRO A 39 -8.014 -6.321 -3.408 1.00 50.00 C ATOM 0 HA PRO A 39 -10.307 -4.413 -4.440 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -7.882 -3.524 -2.864 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -9.557 -3.576 -2.351 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -7.863 -5.419 -1.459 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.491 -5.890 -1.902 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -6.925 -6.280 -3.447 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -8.290 -7.369 -3.291 1.00 50.00 H new ATOM 604 N ALA A 40 -9.659 -2.596 -5.868 1.00 50.00 N ATOM 605 CA ALA A 40 -9.313 -1.458 -6.712 1.00 50.00 C ATOM 606 C ALA A 40 -8.318 -0.539 -6.016 1.00 50.00 C ATOM 607 O ALA A 40 -7.415 0.008 -6.649 1.00 50.00 O ATOM 608 CB ALA A 40 -10.566 -0.688 -7.103 1.00 50.00 C ATOM 0 H ALA A 40 -10.661 -2.746 -5.754 1.00 50.00 H new ATOM 0 HA ALA A 40 -8.840 -1.840 -7.617 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.291 0.158 -7.733 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.240 -1.345 -7.652 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.065 -0.325 -6.205 1.00 50.00 H new ATOM 614 N PHE A 41 -8.486 -0.374 -4.708 1.00 50.00 N ATOM 615 CA PHE A 41 -7.571 0.434 -3.913 1.00 50.00 C ATOM 616 C PHE A 41 -6.161 -0.143 -3.938 1.00 50.00 C ATOM 617 O PHE A 41 -5.181 0.590 -4.058 1.00 50.00 O ATOM 618 CB PHE A 41 -8.069 0.545 -2.471 1.00 50.00 C ATOM 619 CG PHE A 41 -9.351 1.315 -2.331 1.00 50.00 C ATOM 620 CD1 PHE A 41 -10.555 0.768 -2.750 1.00 75.00 C ATOM 621 CD2 PHE A 41 -9.357 2.588 -1.782 1.00 75.00 C ATOM 622 CE1 PHE A 41 -11.735 1.475 -2.621 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.535 3.298 -1.652 1.00 75.00 C ATOM 624 CZ PHE A 41 -11.726 2.740 -2.073 1.00 75.00 C ATOM 0 H PHE A 41 -9.250 -0.791 -4.176 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.538 1.430 -4.354 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -8.212 -0.457 -2.067 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -7.300 1.025 -1.866 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -10.570 -0.222 -3.182 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -8.429 3.030 -1.452 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -12.665 1.036 -2.950 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -10.524 4.288 -1.222 1.00 75.00 H new ATOM 0 HZ PHE A 41 -12.648 3.293 -1.973 1.00 75.00 H new ATOM 634 N ILE A 42 -6.066 -1.464 -3.822 1.00 50.00 N ATOM 635 CA ILE A 42 -4.790 -2.154 -3.956 1.00 50.00 C ATOM 636 C ILE A 42 -4.227 -2.004 -5.364 1.00 10.00 C ATOM 637 O ILE A 42 -3.023 -1.822 -5.544 1.00 50.00 O ATOM 638 CB ILE A 42 -4.920 -3.653 -3.622 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.218 -3.843 -2.133 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.655 -4.397 -4.016 1.00 50.00 C ATOM 641 CD1 ILE A 42 -4.100 -3.386 -1.224 1.00 50.00 C ATOM 0 H ILE A 42 -6.859 -2.078 -3.635 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.107 -1.691 -3.244 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.751 -4.066 -4.194 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -6.126 -3.295 -1.881 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.419 -4.897 -1.944 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -3.764 -5.454 -3.773 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.486 -4.286 -5.087 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -2.806 -3.985 -3.471 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -4.385 -3.552 -0.185 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -3.195 -3.951 -1.447 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -3.913 -2.324 -1.383 1.00 50.00 H new ATOM 653 N ASN A 43 -5.105 -2.083 -6.357 1.00 10.00 N ATOM 654 CA ASN A 43 -4.688 -2.033 -7.754 1.00 10.00 C ATOM 655 C ASN A 43 -4.078 -0.681 -8.100 1.00 10.00 C ATOM 656 O ASN A 43 -3.058 -0.605 -8.783 1.00 50.00 O ATOM 657 CB ASN A 43 -5.843 -2.344 -8.690 1.00 50.00 C ATOM 658 CG ASN A 43 -6.237 -3.794 -8.704 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.401 -4.687 -8.528 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.491 -4.036 -8.994 1.00 50.00 N ATOM 0 H ASN A 43 -6.111 -2.182 -6.221 1.00 10.00 H new ATOM 0 HA ASN A 43 -3.925 -2.799 -7.889 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.706 -1.745 -8.399 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.571 -2.041 -9.701 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.817 -4.998 -9.084 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.142 -3.262 -9.130 1.00 50.00 H new ATOM 667 N ASP A 44 -4.712 0.385 -7.624 1.00 10.00 N ATOM 668 CA ASP A 44 -4.182 1.732 -7.803 1.00 10.00 C ATOM 669 C ASP A 44 -2.759 1.840 -7.270 1.00 10.00 C ATOM 670 O ASP A 44 -1.863 2.330 -7.959 1.00 50.00 O ATOM 671 CB ASP A 44 -5.081 2.758 -7.109 1.00 50.00 C ATOM 672 CG ASP A 44 -6.403 3.019 -7.820 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.536 2.615 -8.950 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.318 3.476 -7.178 1.00 50.00 O ATOM 0 H ASP A 44 -5.593 0.343 -7.112 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.163 1.942 -8.872 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.289 2.414 -6.096 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.538 3.699 -7.021 1.00 50.00 H new ATOM 679 N ILE A 45 -2.556 1.378 -6.039 1.00 10.00 N ATOM 680 CA ILE A 45 -1.257 1.488 -5.385 1.00 10.00 C ATOM 681 C ILE A 45 -0.194 0.695 -6.134 1.00 10.00 C ATOM 682 O ILE A 45 0.914 1.183 -6.356 1.00 50.00 O ATOM 683 CB ILE A 45 -1.318 0.998 -3.927 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.209 1.919 -3.091 1.00 50.00 C ATOM 685 CG2 ILE A 45 0.080 0.924 -3.333 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.563 1.359 -1.731 1.00 50.00 C ATOM 0 H ILE A 45 -3.275 0.924 -5.475 1.00 10.00 H new ATOM 0 HA ILE A 45 -0.989 2.544 -5.393 1.00 10.00 H new ATOM 0 HB ILE A 45 -1.750 -0.003 -3.915 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.704 2.876 -2.959 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.128 2.117 -3.642 1.00 50.00 H new ATOM 0 HG21 ILE A 45 0.019 0.576 -2.302 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.686 0.230 -3.915 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.538 1.913 -3.356 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.196 2.069 -1.199 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.098 0.417 -1.853 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -1.651 1.187 -1.160 1.00 50.00 H new ATOM 698 N LEU A 46 -0.538 -0.526 -6.521 1.00 10.00 N ATOM 699 CA LEU A 46 0.356 -1.358 -7.320 1.00 10.00 C ATOM 700 C LEU A 46 0.750 -0.657 -8.613 1.00 10.00 C ATOM 701 O LEU A 46 1.886 -0.772 -9.072 1.00 50.00 O ATOM 702 CB LEU A 46 -0.306 -2.709 -7.624 1.00 50.00 C ATOM 703 CG LEU A 46 -0.433 -3.657 -6.426 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.256 -4.877 -6.812 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.954 -4.070 -5.955 1.00 50.00 C ATOM 0 H LEU A 46 -1.431 -0.964 -6.295 1.00 10.00 H new ATOM 0 HA LEU A 46 1.264 -1.532 -6.742 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.301 -2.525 -8.029 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.268 -3.210 -8.404 1.00 50.00 H new ATOM 0 HG LEU A 46 -0.943 -3.145 -5.610 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.341 -5.545 -5.955 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.251 -4.560 -7.125 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.767 -5.401 -7.633 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.863 -4.744 -5.103 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.477 -4.578 -6.765 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.516 -3.184 -5.659 1.00 50.00 H new ATOM 717 N LYS A 47 -0.196 0.068 -9.198 1.00 10.00 N ATOM 718 CA LYS A 47 0.036 0.749 -10.467 1.00 10.00 C ATOM 719 C LYS A 47 0.945 1.957 -10.286 1.00 10.00 C ATOM 720 O LYS A 47 1.636 2.372 -11.217 1.00 50.00 O ATOM 721 CB LYS A 47 -1.291 1.179 -11.095 1.00 50.00 C ATOM 722 CG LYS A 47 -1.158 1.819 -12.470 1.00 50.00 C ATOM 723 CD LYS A 47 -2.521 2.114 -13.079 1.00 50.00 C ATOM 724 CE LYS A 47 -2.389 2.768 -14.445 1.00 50.00 C ATOM 725 NZ LYS A 47 -3.716 3.082 -15.042 1.00 50.00 N ATOM 0 H LYS A 47 -1.132 0.200 -8.814 1.00 10.00 H new ATOM 0 HA LYS A 47 0.533 0.046 -11.136 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.941 0.307 -11.175 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -1.784 1.884 -10.426 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -0.586 2.743 -12.389 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -0.599 1.155 -13.130 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.088 1.188 -13.171 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -3.084 2.768 -12.414 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -1.806 3.685 -14.354 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -1.838 2.105 -15.113 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -3.582 3.527 -15.973 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -4.263 2.204 -15.153 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -4.232 3.735 -14.418 1.00 50.00 H new ATOM 739 N VAL A 48 0.942 2.519 -9.081 1.00 10.00 N ATOM 740 CA VAL A 48 1.843 3.613 -8.743 1.00 10.00 C ATOM 741 C VAL A 48 3.298 3.198 -8.907 1.00 10.00 C ATOM 742 O VAL A 48 3.750 2.226 -8.301 1.00 50.00 O ATOM 743 CB VAL A 48 1.620 4.106 -7.302 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.690 5.114 -6.910 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.236 4.718 -7.156 1.00 50.00 C ATOM 0 H VAL A 48 0.324 2.233 -8.322 1.00 10.00 H new ATOM 0 HA VAL A 48 1.620 4.427 -9.433 1.00 10.00 H new ATOM 0 HB VAL A 48 1.692 3.249 -6.632 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.516 5.451 -5.888 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.672 4.646 -6.975 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.650 5.968 -7.586 1.00 50.00 H new ATOM 0 HG21 VAL A 48 0.096 5.061 -6.131 1.00 50.00 H new ATOM 0 HG22 VAL A 48 0.138 5.563 -7.838 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.520 3.970 -7.395 1.00 50.00 H new ATOM 755 N GLU A 49 4.032 3.939 -9.732 1.00 10.00 N ATOM 756 CA GLU A 49 5.427 3.623 -10.011 1.00 10.00 C ATOM 757 C GLU A 49 6.260 3.636 -8.736 1.00 10.00 C ATOM 758 O GLU A 49 6.268 4.620 -7.997 1.00 50.00 O ATOM 759 CB GLU A 49 6.006 4.610 -11.027 1.00 50.00 C ATOM 760 CG GLU A 49 7.429 4.297 -11.468 1.00 50.00 C ATOM 761 CD GLU A 49 7.912 5.278 -12.499 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.144 6.125 -12.890 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.078 5.254 -12.814 1.00 50.00 O ATOM 0 H GLU A 49 3.682 4.764 -10.219 1.00 10.00 H new ATOM 0 HA GLU A 49 5.464 2.618 -10.432 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.362 4.627 -11.906 1.00 50.00 H new ATOM 0 HB3 GLU A 49 5.984 5.611 -10.596 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.093 4.319 -10.604 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.471 3.287 -11.876 1.00 50.00 H new ATOM 770 N GLY A 50 6.961 2.536 -8.484 1.00 10.00 N ATOM 771 CA GLY A 50 7.875 2.452 -7.350 1.00 10.00 C ATOM 772 C GLY A 50 7.448 1.359 -6.379 1.00 10.00 C ATOM 773 O GLY A 50 8.272 0.810 -5.647 1.00 50.00 O ATOM 0 H GLY A 50 6.914 1.689 -9.050 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.885 2.250 -7.707 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.906 3.411 -6.832 1.00 10.00 H new ATOM 777 N VAL A 51 6.157 1.047 -6.376 1.00 10.00 N ATOM 778 CA VAL A 51 5.618 0.025 -5.488 1.00 10.00 C ATOM 779 C VAL A 51 5.983 -1.372 -5.970 1.00 10.00 C ATOM 780 O VAL A 51 5.707 -1.738 -7.113 1.00 50.00 O ATOM 781 CB VAL A 51 4.085 0.131 -5.369 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.536 -1.004 -4.518 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.689 1.475 -4.778 1.00 50.00 C ATOM 0 H VAL A 51 5.463 1.488 -6.980 1.00 10.00 H new ATOM 0 HA VAL A 51 6.063 0.196 -4.508 1.00 10.00 H new ATOM 0 HB VAL A 51 3.657 0.052 -6.368 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.452 -0.913 -4.445 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.790 -1.959 -4.978 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.972 -0.955 -3.520 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.603 1.533 -4.701 1.00 50.00 H new ATOM 0 HG22 VAL A 51 4.129 1.580 -3.786 1.00 50.00 H new ATOM 0 HG23 VAL A 51 4.050 2.276 -5.422 1.00 50.00 H new ATOM 793 N LYS A 52 6.608 -2.151 -5.093 1.00 10.00 N ATOM 794 CA LYS A 52 7.098 -3.474 -5.456 1.00 10.00 C ATOM 795 C LYS A 52 6.085 -4.555 -5.096 1.00 10.00 C ATOM 796 O LYS A 52 5.619 -5.296 -5.962 1.00 50.00 O ATOM 797 CB LYS A 52 8.434 -3.758 -4.769 1.00 50.00 C ATOM 798 CG LYS A 52 9.050 -5.107 -5.120 1.00 50.00 C ATOM 799 CD LYS A 52 10.376 -5.313 -4.405 1.00 50.00 C ATOM 800 CE LYS A 52 10.998 -6.654 -4.766 1.00 50.00 C ATOM 801 NZ LYS A 52 12.322 -6.847 -4.115 1.00 50.00 N ATOM 0 H LYS A 52 6.787 -1.887 -4.124 1.00 10.00 H new ATOM 0 HA LYS A 52 7.245 -3.489 -6.536 1.00 10.00 H new ATOM 0 HB2 LYS A 52 9.139 -2.970 -5.034 1.00 50.00 H new ATOM 0 HB3 LYS A 52 8.291 -3.708 -3.690 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.360 -5.906 -4.848 1.00 50.00 H new ATOM 0 HG3 LYS A 52 9.202 -5.170 -6.197 1.00 50.00 H new ATOM 0 HD2 LYS A 52 11.063 -4.509 -4.669 1.00 50.00 H new ATOM 0 HD3 LYS A 52 10.222 -5.260 -3.327 1.00 50.00 H new ATOM 0 HE2 LYS A 52 10.326 -7.458 -4.466 1.00 50.00 H new ATOM 0 HE3 LYS A 52 11.113 -6.721 -5.848 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.711 -7.772 -4.387 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.972 -6.095 -4.421 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 12.210 -6.809 -3.082 1.00 50.00 H new ATOM 815 N SER A 53 5.749 -4.640 -3.815 1.00 10.00 N ATOM 816 CA SER A 53 4.853 -5.681 -3.324 1.00 10.00 C ATOM 817 C SER A 53 3.973 -5.163 -2.194 1.00 10.00 C ATOM 818 O SER A 53 4.354 -4.245 -1.469 1.00 50.00 O ATOM 819 CB SER A 53 5.653 -6.883 -2.862 1.00 50.00 C ATOM 820 OG SER A 53 6.451 -6.588 -1.749 1.00 50.00 O ATOM 0 H SER A 53 6.084 -3.999 -3.095 1.00 10.00 H new ATOM 0 HA SER A 53 4.201 -5.982 -4.144 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.972 -7.697 -2.614 1.00 50.00 H new ATOM 0 HB3 SER A 53 6.285 -7.233 -3.678 1.00 50.00 H new ATOM 0 HG SER A 53 6.949 -7.389 -1.482 1.00 50.00 H new ATOM 826 N ILE A 54 2.792 -5.756 -2.052 1.00 10.00 N ATOM 827 CA ILE A 54 1.874 -5.387 -0.981 1.00 10.00 C ATOM 828 C ILE A 54 1.416 -6.613 -0.201 1.00 10.00 C ATOM 829 O ILE A 54 1.081 -7.643 -0.787 1.00 50.00 O ATOM 830 CB ILE A 54 0.641 -4.646 -1.526 1.00 50.00 C ATOM 831 CG1 ILE A 54 1.059 -3.343 -2.212 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.349 -4.365 -0.406 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.082 -2.603 -2.870 1.00 50.00 C ATOM 0 H ILE A 54 2.448 -6.495 -2.666 1.00 10.00 H new ATOM 0 HA ILE A 54 2.421 -4.721 -0.314 1.00 10.00 H new ATOM 0 HB ILE A 54 0.154 -5.283 -2.264 1.00 50.00 H new ATOM 0 HG12 ILE A 54 1.526 -2.690 -1.475 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.816 -3.567 -2.964 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.215 -3.840 -0.809 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -0.670 -5.306 0.040 1.00 50.00 H new ATOM 0 HG23 ILE A 54 0.128 -3.747 0.355 1.00 50.00 H new ATOM 0 HD11 ILE A 54 0.295 -1.691 -3.334 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.535 -3.237 -3.632 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -0.830 -2.346 -2.120 1.00 50.00 H new ATOM 845 N PHE A 55 1.404 -6.495 1.120 1.00 10.00 N ATOM 846 CA PHE A 55 0.783 -7.503 1.973 1.00 10.00 C ATOM 847 C PHE A 55 -0.363 -6.908 2.783 1.00 10.00 C ATOM 848 O PHE A 55 -0.197 -5.891 3.457 1.00 50.00 O ATOM 849 CB PHE A 55 1.822 -8.124 2.908 1.00 50.00 C ATOM 850 CG PHE A 55 1.255 -9.157 3.841 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.806 -10.377 3.359 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.170 -8.910 5.204 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.284 -11.328 4.216 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.650 -9.858 6.063 1.00 50.00 C ATOM 855 CZ PHE A 55 0.207 -11.069 5.568 1.00 50.00 C ATOM 0 H PHE A 55 1.817 -5.711 1.626 1.00 10.00 H new ATOM 0 HA PHE A 55 0.376 -8.282 1.329 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.609 -8.582 2.309 1.00 50.00 H new ATOM 0 HB3 PHE A 55 2.288 -7.333 3.496 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.865 -10.587 2.301 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.515 -7.965 5.598 1.00 50.00 H new ATOM 0 HE1 PHE A 55 -0.063 -12.274 3.827 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.590 -9.653 7.122 1.00 50.00 H new ATOM 0 HZ PHE A 55 -0.199 -11.812 6.239 1.00 50.00 H new ATOM 865 N HIS A 56 -1.525 -7.548 2.712 1.00 10.00 N ATOM 866 CA HIS A 56 -2.722 -7.037 3.369 1.00 10.00 C ATOM 867 C HIS A 56 -3.256 -8.030 4.392 1.00 10.00 C ATOM 868 O HIS A 56 -3.645 -9.146 4.046 1.00 50.00 O ATOM 869 CB HIS A 56 -3.808 -6.714 2.337 1.00 50.00 C ATOM 870 CG HIS A 56 -4.995 -6.007 2.914 1.00 50.00 C ATOM 871 ND1 HIS A 56 -5.261 -5.595 4.175 1.00 50.00 N flip ATOM 872 CD2 HIS A 56 -6.087 -5.645 2.153 1.00 50.00 C flip ATOM 873 CE1 HIS A 56 -6.497 -4.996 4.155 1.00 50.00 C flip ATOM 874 NE2 HIS A 56 -6.975 -5.040 2.924 1.00 50.00 N flip ATOM 0 H HIS A 56 -1.663 -8.422 2.205 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.446 -6.121 3.892 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -3.376 -6.097 1.549 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.140 -7.641 1.870 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -6.199 -5.827 1.094 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -6.997 -4.560 5.007 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.876 -4.670 2.620 1.00 50.00 H new ATOM 882 N VAL A 57 -3.273 -7.617 5.655 1.00 10.00 N ATOM 883 CA VAL A 57 -3.810 -8.450 6.725 1.00 10.00 C ATOM 884 C VAL A 57 -4.569 -7.613 7.746 1.00 10.00 C ATOM 885 O VAL A 57 -4.148 -6.510 8.097 1.00 50.00 O ATOM 886 CB VAL A 57 -2.695 -9.232 7.446 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.733 -8.275 8.134 1.00 50.00 C ATOM 888 CG2 VAL A 57 -3.290 -10.203 8.453 1.00 50.00 C ATOM 0 H VAL A 57 -2.921 -6.710 5.963 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.495 -9.158 6.258 1.00 10.00 H new ATOM 0 HB VAL A 57 -2.140 -9.804 6.702 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -0.952 -8.844 8.638 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.281 -7.617 7.392 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.276 -7.677 8.866 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -2.488 -10.746 8.952 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -3.869 -9.650 9.193 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -3.940 -10.909 7.937 1.00 50.00 H new ATOM 898 N MET A 58 -5.692 -8.141 8.221 1.00 10.00 N ATOM 899 CA MET A 58 -6.548 -7.416 9.151 1.00 10.00 C ATOM 900 C MET A 58 -7.143 -6.174 8.499 1.00 10.00 C ATOM 901 O MET A 58 -7.780 -6.257 7.450 1.00 50.00 O ATOM 902 CB MET A 58 -5.760 -7.030 10.402 1.00 50.00 C ATOM 903 CG MET A 58 -6.620 -6.731 11.621 1.00 50.00 C ATOM 904 SD MET A 58 -5.648 -6.212 13.049 1.00 75.00 S ATOM 905 CE MET A 58 -4.795 -7.734 13.449 1.00 75.00 C ATOM 0 H MET A 58 -6.031 -9.071 7.976 1.00 10.00 H new ATOM 0 HA MET A 58 -7.369 -8.073 9.436 1.00 10.00 H new ATOM 0 HB2 MET A 58 -5.073 -7.840 10.647 1.00 50.00 H new ATOM 0 HB3 MET A 58 -5.153 -6.153 10.177 1.00 50.00 H new ATOM 0 HG2 MET A 58 -7.337 -5.949 11.371 1.00 50.00 H new ATOM 0 HG3 MET A 58 -7.195 -7.620 11.882 1.00 50.00 H new ATOM 0 HE1 MET A 58 -4.368 -7.660 14.449 1.00 75.00 H new ATOM 0 HE2 MET A 58 -5.499 -8.565 13.416 1.00 75.00 H new ATOM 0 HE3 MET A 58 -3.998 -7.905 12.726 1.00 75.00 H new ATOM 915 N ASP A 59 -6.930 -5.023 9.129 1.00 10.00 N ATOM 916 CA ASP A 59 -7.384 -3.752 8.576 1.00 10.00 C ATOM 917 C ASP A 59 -6.218 -2.796 8.365 1.00 10.00 C ATOM 918 O ASP A 59 -6.377 -1.579 8.461 1.00 50.00 O ATOM 919 CB ASP A 59 -8.431 -3.112 9.491 1.00 50.00 C ATOM 920 CG ASP A 59 -7.932 -2.801 10.896 1.00 50.00 C ATOM 921 OD1 ASP A 59 -6.817 -3.152 11.201 1.00 75.00 O ATOM 922 OD2 ASP A 59 -8.603 -2.082 11.596 1.00 50.00 O ATOM 0 H ASP A 59 -6.446 -4.944 10.023 1.00 10.00 H new ATOM 0 HA ASP A 59 -7.839 -3.954 7.606 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -8.783 -2.189 9.031 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -9.290 -3.779 9.563 1.00 50.00 H new ATOM 927 N PHE A 60 -5.045 -3.352 8.077 1.00 10.00 N ATOM 928 CA PHE A 60 -3.871 -2.547 7.767 1.00 10.00 C ATOM 929 C PHE A 60 -3.057 -3.172 6.642 1.00 10.00 C ATOM 930 O PHE A 60 -3.113 -4.381 6.420 1.00 50.00 O ATOM 931 CB PHE A 60 -3.000 -2.371 9.012 1.00 50.00 C ATOM 932 CG PHE A 60 -2.351 -3.642 9.483 1.00 50.00 C ATOM 933 CD1 PHE A 60 -1.103 -4.017 9.008 1.00 50.00 C ATOM 934 CD2 PHE A 60 -2.987 -4.464 10.401 1.00 50.00 C ATOM 935 CE1 PHE A 60 -0.506 -5.187 9.439 1.00 50.00 C ATOM 936 CE2 PHE A 60 -2.392 -5.633 10.835 1.00 50.00 C ATOM 937 CZ PHE A 60 -1.150 -5.994 10.353 1.00 50.00 C ATOM 0 H PHE A 60 -4.883 -4.359 8.052 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.215 -1.568 7.434 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.224 -1.635 8.800 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.612 -1.966 9.818 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -0.592 -3.388 8.294 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -3.959 -4.187 10.781 1.00 50.00 H new ATOM 0 HE1 PHE A 60 0.465 -5.469 9.060 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -2.898 -6.264 11.551 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.683 -6.907 10.691 1.00 50.00 H new ATOM 947 N ILE A 61 -2.299 -2.341 5.935 1.00 10.00 N ATOM 948 CA ILE A 61 -1.582 -2.783 4.744 1.00 10.00 C ATOM 949 C ILE A 61 -0.097 -2.464 4.845 1.00 10.00 C ATOM 950 O ILE A 61 0.287 -1.363 5.242 1.00 50.00 O ATOM 951 CB ILE A 61 -2.151 -2.134 3.469 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.616 -2.532 3.275 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.323 -2.529 2.256 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.312 -1.774 2.167 1.00 50.00 C ATOM 0 H ILE A 61 -2.165 -1.357 6.166 1.00 10.00 H new ATOM 0 HA ILE A 61 -1.714 -3.863 4.681 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.101 -1.051 3.580 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -3.668 -3.599 3.061 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.154 -2.368 4.209 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -1.739 -2.062 1.364 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.294 -2.196 2.394 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.341 -3.613 2.140 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.346 -2.110 2.090 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.293 -0.707 2.389 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -3.799 -1.957 1.223 1.00 50.00 H new ATOM 966 N SER A 62 0.737 -3.434 4.485 1.00 10.00 N ATOM 967 CA SER A 62 2.175 -3.216 4.401 1.00 10.00 C ATOM 968 C SER A 62 2.626 -3.067 2.953 1.00 10.00 C ATOM 969 O SER A 62 2.528 -4.006 2.163 1.00 50.00 O ATOM 970 CB SER A 62 2.917 -4.356 5.071 1.00 50.00 C ATOM 971 OG SER A 62 4.307 -4.211 4.970 1.00 50.00 O ATOM 0 H SER A 62 0.440 -4.380 4.246 1.00 10.00 H new ATOM 0 HA SER A 62 2.408 -2.287 4.922 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.633 -4.404 6.122 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.617 -5.300 4.616 1.00 50.00 H new ATOM 0 HG SER A 62 4.748 -4.965 5.415 1.00 50.00 H new ATOM 977 N VAL A 63 3.121 -1.882 2.612 1.00 10.00 N ATOM 978 CA VAL A 63 3.518 -1.583 1.241 1.00 10.00 C ATOM 979 C VAL A 63 5.031 -1.458 1.120 1.00 10.00 C ATOM 980 O VAL A 63 5.642 -0.584 1.735 1.00 50.00 O ATOM 981 CB VAL A 63 2.864 -0.286 0.733 1.00 50.00 C ATOM 982 CG1 VAL A 63 3.317 0.018 -0.686 1.00 50.00 C ATOM 983 CG2 VAL A 63 1.348 -0.395 0.794 1.00 50.00 C ATOM 0 H VAL A 63 3.257 -1.112 3.267 1.00 10.00 H new ATOM 0 HA VAL A 63 3.175 -2.416 0.627 1.00 10.00 H new ATOM 0 HB VAL A 63 3.178 0.534 1.379 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.845 0.938 -1.029 1.00 50.00 H new ATOM 0 HG12 VAL A 63 4.400 0.137 -0.704 1.00 50.00 H new ATOM 0 HG13 VAL A 63 3.031 -0.803 -1.343 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.902 0.531 0.431 1.00 50.00 H new ATOM 0 HG22 VAL A 63 1.018 -1.226 0.171 1.00 50.00 H new ATOM 0 HG23 VAL A 63 1.037 -0.568 1.824 1.00 50.00 H new ATOM 993 N ASP A 64 5.632 -2.338 0.325 1.00 10.00 N ATOM 994 CA ASP A 64 7.078 -2.342 0.142 1.00 10.00 C ATOM 995 C ASP A 64 7.458 -1.863 -1.251 1.00 10.00 C ATOM 996 O ASP A 64 6.953 -2.372 -2.253 1.00 50.00 O ATOM 997 CB ASP A 64 7.645 -3.743 0.390 1.00 50.00 C ATOM 998 CG ASP A 64 9.162 -3.833 0.293 1.00 50.00 C ATOM 999 OD1 ASP A 64 9.777 -2.845 -0.032 1.00 50.00 O ATOM 1000 OD2 ASP A 64 9.703 -4.836 0.690 1.00 50.00 O ATOM 0 H ASP A 64 5.139 -3.058 -0.203 1.00 10.00 H new ATOM 0 HA ASP A 64 7.508 -1.652 0.868 1.00 10.00 H new ATOM 0 HB2 ASP A 64 7.336 -4.077 1.380 1.00 50.00 H new ATOM 0 HB3 ASP A 64 7.205 -4.433 -0.331 1.00 50.00 H new ATOM 1005 N LYS A 65 8.352 -0.883 -1.312 1.00 10.00 N ATOM 1006 CA LYS A 65 8.743 -0.279 -2.579 1.00 10.00 C ATOM 1007 C LYS A 65 10.049 -0.870 -3.093 1.00 10.00 C ATOM 1008 O LYS A 65 10.639 -1.745 -2.458 1.00 50.00 O ATOM 1009 CB LYS A 65 8.875 1.237 -2.434 1.00 50.00 C ATOM 1010 CG LYS A 65 10.051 1.686 -1.575 1.00 50.00 C ATOM 1011 CD LYS A 65 10.245 3.193 -1.647 1.00 50.00 C ATOM 1012 CE LYS A 65 11.339 3.657 -0.697 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.692 3.254 -1.170 1.00 50.00 N ATOM 0 H LYS A 65 8.821 -0.489 -0.496 1.00 10.00 H new ATOM 0 HA LYS A 65 7.960 -0.498 -3.305 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.976 1.677 -3.426 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.954 1.630 -2.003 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.883 1.388 -0.540 1.00 50.00 H new ATOM 0 HG3 LYS A 65 10.960 1.184 -1.908 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.501 3.480 -2.667 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.309 3.694 -1.400 1.00 50.00 H new ATOM 0 HE2 LYS A 65 11.297 4.742 -0.597 1.00 50.00 H new ATOM 0 HE3 LYS A 65 11.161 3.239 0.294 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.408 3.574 -0.487 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.735 2.219 -1.257 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.879 3.688 -2.097 1.00 50.00 H new ATOM 1027 N GLU A 66 10.499 -0.390 -4.247 1.00 10.00 N ATOM 1028 CA GLU A 66 11.809 -0.753 -4.770 1.00 10.00 C ATOM 1029 C GLU A 66 12.903 0.127 -4.180 1.00 10.00 C ATOM 1030 O GLU A 66 12.631 1.215 -3.673 1.00 50.00 O ATOM 1031 CB GLU A 66 11.823 -0.654 -6.297 1.00 50.00 C ATOM 1032 CG GLU A 66 10.891 -1.631 -7.000 1.00 50.00 C ATOM 1033 CD GLU A 66 11.012 -1.524 -8.494 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.712 -0.654 -8.954 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.495 -2.378 -9.175 1.00 50.00 O ATOM 0 H GLU A 66 9.973 0.253 -4.839 1.00 10.00 H new ATOM 0 HA GLU A 66 12.008 -1.785 -4.479 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.550 0.361 -6.585 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.840 -0.823 -6.650 1.00 50.00 H new ATOM 0 HG2 GLU A 66 11.124 -2.649 -6.686 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.861 -1.433 -6.702 1.00 50.00 H new ATOM 1042 N ASN A 67 14.140 -0.350 -4.248 1.00 10.00 N ATOM 1043 CA ASN A 67 15.273 0.369 -3.674 1.00 10.00 C ATOM 1044 C ASN A 67 15.476 1.713 -4.362 1.00 10.00 C ATOM 1045 O ASN A 67 15.790 2.712 -3.715 1.00 50.00 O ATOM 1046 CB ASN A 67 16.545 -0.453 -3.742 1.00 50.00 C ATOM 1047 CG ASN A 67 16.579 -1.597 -2.766 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.854 -1.608 -1.766 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.475 -2.519 -3.010 1.00 50.00 N ATOM 0 H ASN A 67 14.385 -1.233 -4.696 1.00 10.00 H new ATOM 0 HA ASN A 67 15.042 0.549 -2.624 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.660 -0.846 -4.752 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.398 0.198 -3.554 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.600 -3.294 -2.359 1.00 50.00 H new ATOM 0 HD22 ASN A 67 18.049 -2.463 -3.852 1.00 50.00 H new ATOM 1056 N ASP A 68 15.297 1.731 -5.679 1.00 10.00 N ATOM 1057 CA ASP A 68 15.437 2.957 -6.455 1.00 10.00 C ATOM 1058 C ASP A 68 14.300 3.928 -6.161 1.00 10.00 C ATOM 1059 O ASP A 68 14.512 5.136 -6.061 1.00 50.00 O ATOM 1060 CB ASP A 68 15.486 2.643 -7.952 1.00 50.00 C ATOM 1061 CG ASP A 68 16.786 2.001 -8.419 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.733 2.013 -7.669 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.778 1.372 -9.448 1.00 50.00 O ATOM 0 H ASP A 68 15.054 0.909 -6.231 1.00 10.00 H new ATOM 0 HA ASP A 68 16.374 3.430 -6.162 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.658 1.978 -8.199 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.330 3.567 -8.510 1.00 50.00 H new ATOM 1068 N ALA A 69 13.092 3.391 -6.024 1.00 10.00 N ATOM 1069 CA ALA A 69 11.911 4.212 -5.784 1.00 10.00 C ATOM 1070 C ALA A 69 12.055 5.024 -4.503 1.00 10.00 C ATOM 1071 O ALA A 69 12.858 4.690 -3.632 1.00 50.00 O ATOM 1072 CB ALA A 69 10.663 3.343 -5.726 1.00 50.00 C ATOM 0 H ALA A 69 12.905 2.390 -6.075 1.00 10.00 H new ATOM 0 HA ALA A 69 11.813 4.911 -6.615 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.790 3.971 -5.546 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.542 2.816 -6.673 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.761 2.619 -4.918 1.00 50.00 H new ATOM 1078 N ASN A 70 11.273 6.092 -4.394 1.00 10.00 N ATOM 1079 CA ASN A 70 11.246 6.901 -3.182 1.00 10.00 C ATOM 1080 C ASN A 70 9.828 7.051 -2.650 1.00 10.00 C ATOM 1081 O ASN A 70 8.867 7.090 -3.419 1.00 50.00 O ATOM 1082 CB ASN A 70 11.868 8.268 -3.414 1.00 50.00 C ATOM 1083 CG ASN A 70 13.323 8.216 -3.781 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.184 7.903 -2.949 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.613 8.602 -4.997 1.00 50.00 N ATOM 0 H ASN A 70 10.649 6.418 -5.132 1.00 10.00 H new ATOM 0 HA ASN A 70 11.841 6.378 -2.433 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.320 8.776 -4.208 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.751 8.868 -2.512 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.587 8.655 -5.297 1.00 50.00 H new ATOM 0 HD22 ASN A 70 12.866 8.849 -5.645 1.00 50.00 H new ATOM 1092 N TRP A 71 9.701 7.134 -1.330 1.00 10.00 N ATOM 1093 CA TRP A 71 8.400 7.301 -0.694 1.00 10.00 C ATOM 1094 C TRP A 71 7.829 8.687 -0.960 1.00 10.00 C ATOM 1095 O TRP A 71 6.615 8.887 -0.929 1.00 50.00 O ATOM 1096 CB TRP A 71 8.509 7.059 0.812 1.00 50.00 C ATOM 1097 CG TRP A 71 8.639 5.612 1.178 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.596 5.055 1.973 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.787 4.538 0.764 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.395 3.702 2.080 1.00 50.00 N ATOM 1101 CE2 TRP A 71 8.286 3.360 1.347 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.644 4.460 -0.042 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.692 2.123 1.149 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 6.049 3.220 -0.239 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.557 2.085 0.340 1.00 50.00 C ATOM 0 H TRP A 71 10.485 7.088 -0.679 1.00 10.00 H new ATOM 0 HA TRP A 71 7.721 6.566 -1.125 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.372 7.602 1.197 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.628 7.472 1.303 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.397 5.600 2.450 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.975 3.056 2.616 1.00 50.00 H new ATOM 0 HE3 TRP A 71 6.233 5.347 -0.502 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 8.091 1.227 1.602 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 5.169 3.148 -0.861 1.00 50.00 H new ATOM 0 HH2 TRP A 71 6.066 1.139 0.165 1.00 50.00 H new ATOM 1116 N GLU A 72 8.712 9.645 -1.223 1.00 10.00 N ATOM 1117 CA GLU A 72 8.296 11.011 -1.519 1.00 10.00 C ATOM 1118 C GLU A 72 7.279 11.044 -2.652 1.00 10.00 C ATOM 1119 O GLU A 72 6.329 11.825 -2.623 1.00 50.00 O ATOM 1120 CB GLU A 72 9.509 11.874 -1.876 1.00 50.00 C ATOM 1121 CG GLU A 72 9.181 13.336 -2.149 1.00 50.00 C ATOM 1122 CD GLU A 72 10.426 14.130 -2.435 1.00 50.00 C ATOM 1123 OE1 GLU A 72 11.491 13.562 -2.400 1.00 50.00 O ATOM 1124 OE2 GLU A 72 10.303 15.276 -2.798 1.00 75.00 O ATOM 0 H GLU A 72 9.722 9.500 -1.237 1.00 10.00 H new ATOM 0 HA GLU A 72 7.823 11.417 -0.625 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.230 11.822 -1.060 1.00 50.00 H new ATOM 0 HB3 GLU A 72 9.994 11.452 -2.757 1.00 50.00 H new ATOM 0 HG2 GLU A 72 8.499 13.406 -2.997 1.00 50.00 H new ATOM 0 HG3 GLU A 72 8.665 13.762 -1.289 1.00 50.00 H new ATOM 1131 N THR A 73 7.484 10.190 -3.649 1.00 10.00 N ATOM 1132 CA THR A 73 6.558 10.083 -4.770 1.00 10.00 C ATOM 1133 C THR A 73 5.360 9.210 -4.415 1.00 10.00 C ATOM 1134 O THR A 73 4.212 9.602 -4.623 1.00 50.00 O ATOM 1135 CB THR A 73 7.246 9.507 -6.021 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.316 10.373 -6.421 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.252 9.374 -7.165 1.00 50.00 C ATOM 0 H THR A 73 8.285 9.561 -3.703 1.00 10.00 H new ATOM 0 HA THR A 73 6.215 11.094 -4.989 1.00 10.00 H new ATOM 0 HB THR A 73 7.638 8.519 -5.779 1.00 50.00 H new ATOM 0 HG1 THR A 73 8.755 10.005 -7.216 1.00 50.00 H new ATOM 0 HG21 THR A 73 6.757 8.965 -8.040 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.443 8.707 -6.868 1.00 50.00 H new ATOM 0 HG23 THR A 73 5.843 10.355 -7.407 1.00 50.00 H new ATOM 1145 N VAL A 74 5.637 8.028 -3.878 1.00 10.00 N ATOM 1146 CA VAL A 74 4.636 6.969 -3.800 1.00 10.00 C ATOM 1147 C VAL A 74 3.533 7.325 -2.812 1.00 10.00 C ATOM 1148 O VAL A 74 2.349 7.259 -3.141 1.00 50.00 O ATOM 1149 CB VAL A 74 5.266 5.626 -3.386 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.185 4.589 -3.122 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.223 5.133 -4.462 1.00 50.00 C ATOM 0 H VAL A 74 6.546 7.778 -3.490 1.00 10.00 H new ATOM 0 HA VAL A 74 4.208 6.868 -4.797 1.00 10.00 H new ATOM 0 HB VAL A 74 5.829 5.779 -2.466 1.00 50.00 H new ATOM 0 HG11 VAL A 74 4.648 3.646 -2.831 1.00 50.00 H new ATOM 0 HG12 VAL A 74 3.535 4.937 -2.319 1.00 50.00 H new ATOM 0 HG13 VAL A 74 3.596 4.439 -4.027 1.00 50.00 H new ATOM 0 HG21 VAL A 74 6.659 4.183 -4.153 1.00 50.00 H new ATOM 0 HG22 VAL A 74 5.680 4.996 -5.397 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.016 5.866 -4.607 1.00 50.00 H new ATOM 1161 N LEU A 75 3.928 7.705 -1.602 1.00 10.00 N ATOM 1162 CA LEU A 75 3.014 7.721 -0.467 1.00 10.00 C ATOM 1163 C LEU A 75 1.874 8.705 -0.692 1.00 50.00 C ATOM 1164 O LEU A 75 0.710 8.387 -0.446 1.00 50.00 O ATOM 1165 CB LEU A 75 3.771 8.069 0.819 1.00 50.00 C ATOM 1166 CG LEU A 75 4.599 6.926 1.419 1.00 50.00 C ATOM 1167 CD1 LEU A 75 5.332 7.408 2.663 1.00 50.00 C ATOM 1168 CD2 LEU A 75 3.687 5.755 1.750 1.00 50.00 C ATOM 0 H LEU A 75 4.877 8.007 -1.382 1.00 10.00 H new ATOM 0 HA LEU A 75 2.584 6.725 -0.366 1.00 10.00 H new ATOM 0 HB2 LEU A 75 4.435 8.909 0.615 1.00 50.00 H new ATOM 0 HB3 LEU A 75 3.051 8.406 1.565 1.00 50.00 H new ATOM 0 HG LEU A 75 5.342 6.597 0.692 1.00 50.00 H new ATOM 0 HD11 LEU A 75 5.917 6.589 3.081 1.00 50.00 H new ATOM 0 HD12 LEU A 75 5.997 8.230 2.398 1.00 50.00 H new ATOM 0 HD13 LEU A 75 4.608 7.751 3.402 1.00 50.00 H new ATOM 0 HD21 LEU A 75 4.277 4.944 2.176 1.00 50.00 H new ATOM 0 HD22 LEU A 75 2.933 6.073 2.470 1.00 50.00 H new ATOM 0 HD23 LEU A 75 3.196 5.408 0.841 1.00 50.00 H new ATOM 1180 N PRO A 76 2.214 9.900 -1.164 1.00 50.00 N ATOM 1181 CA PRO A 76 1.213 10.909 -1.485 1.00 50.00 C ATOM 1182 C PRO A 76 0.072 10.315 -2.302 1.00 50.00 C ATOM 1183 O PRO A 76 -1.100 10.584 -2.037 1.00 50.00 O ATOM 1184 CB PRO A 76 1.991 11.971 -2.270 1.00 50.00 C ATOM 1185 CG PRO A 76 3.365 11.920 -1.700 1.00 50.00 C ATOM 1186 CD PRO A 76 3.631 10.464 -1.424 1.00 50.00 C ATOM 0 HA PRO A 76 0.736 11.326 -0.598 1.00 50.00 H new ATOM 0 HB2 PRO A 76 1.995 11.752 -3.338 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.547 12.959 -2.149 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.095 12.327 -2.399 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.434 12.512 -0.787 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.113 9.973 -2.270 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.285 10.328 -0.562 1.00 50.00 H new ATOM 1194 N LYS A 77 0.423 9.504 -3.294 1.00 50.00 N ATOM 1195 CA LYS A 77 -0.571 8.858 -4.142 1.00 50.00 C ATOM 1196 C LYS A 77 -1.330 7.779 -3.379 1.00 50.00 C ATOM 1197 O LYS A 77 -2.554 7.679 -3.477 1.00 50.00 O ATOM 1198 CB LYS A 77 0.091 8.255 -5.382 1.00 50.00 C ATOM 1199 CG LYS A 77 0.631 9.284 -6.368 1.00 50.00 C ATOM 1200 CD LYS A 77 1.302 8.611 -7.556 1.00 50.00 C ATOM 1201 CE LYS A 77 1.864 9.636 -8.529 1.00 50.00 C ATOM 1202 NZ LYS A 77 2.528 8.993 -9.694 1.00 50.00 N ATOM 0 H LYS A 77 1.389 9.278 -3.530 1.00 50.00 H new ATOM 0 HA LYS A 77 -1.284 9.620 -4.456 1.00 50.00 H new ATOM 0 HB2 LYS A 77 0.909 7.609 -5.065 1.00 50.00 H new ATOM 0 HB3 LYS A 77 -0.634 7.623 -5.895 1.00 50.00 H new ATOM 0 HG2 LYS A 77 -0.184 9.918 -6.719 1.00 50.00 H new ATOM 0 HG3 LYS A 77 1.346 9.934 -5.864 1.00 50.00 H new ATOM 0 HD2 LYS A 77 2.105 7.963 -7.204 1.00 50.00 H new ATOM 0 HD3 LYS A 77 0.582 7.975 -8.071 1.00 50.00 H new ATOM 0 HE2 LYS A 77 1.059 10.281 -8.881 1.00 50.00 H new ATOM 0 HE3 LYS A 77 2.580 10.274 -8.010 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 2.897 9.727 -10.332 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 3.313 8.397 -9.361 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 1.839 8.404 -10.205 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.597 6.975 -2.617 1.00 50.00 N ATOM 1217 CA VAL A 78 -1.199 5.898 -1.840 1.00 50.00 C ATOM 1218 C VAL A 78 -2.300 6.425 -0.928 1.00 50.00 C ATOM 1219 O VAL A 78 -3.418 5.909 -0.926 1.00 50.00 O ATOM 1220 CB VAL A 78 -0.149 5.160 -0.987 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.827 4.206 -0.015 1.00 50.00 C ATOM 1222 CG2 VAL A 78 0.828 4.408 -1.878 1.00 50.00 C ATOM 0 H VAL A 78 0.416 7.049 -2.521 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.629 5.198 -2.556 1.00 50.00 H new ATOM 0 HB VAL A 78 0.409 5.899 -0.412 1.00 50.00 H new ATOM 0 HG11 VAL A 78 -0.070 3.693 0.579 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.488 4.768 0.645 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -1.409 3.472 -0.572 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.562 3.893 -1.259 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.285 3.679 -2.479 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.338 5.113 -2.535 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.978 7.455 -0.154 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.950 8.085 0.728 1.00 50.00 C ATOM 1234 C GLU A 79 -4.178 8.548 -0.045 1.00 50.00 C ATOM 1235 O GLU A 79 -5.310 8.383 0.410 1.00 50.00 O ATOM 1236 CB GLU A 79 -2.320 9.265 1.468 1.00 50.00 C ATOM 1237 CG GLU A 79 -3.243 9.949 2.466 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.532 11.051 3.202 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -1.367 11.248 2.958 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -3.181 11.768 3.927 1.00 50.00 O ATOM 0 H GLU A 79 -1.048 7.872 -0.120 1.00 50.00 H new ATOM 0 HA GLU A 79 -3.267 7.340 1.457 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -1.432 8.915 1.994 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.988 10.001 0.736 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -4.108 10.357 1.944 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.618 9.215 3.180 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.947 9.129 -1.217 1.00 50.00 N ATOM 1248 CA ALA A 80 -5.035 9.593 -2.070 1.00 50.00 C ATOM 1249 C ALA A 80 -5.990 8.457 -2.413 1.00 50.00 C ATOM 1250 O ALA A 80 -7.208 8.640 -2.424 1.00 50.00 O ATOM 1251 CB ALA A 80 -4.482 10.225 -3.339 1.00 50.00 C ATOM 0 H ALA A 80 -3.015 9.290 -1.599 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.596 10.347 -1.519 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -5.307 10.566 -3.965 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.850 11.074 -3.077 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.893 9.489 -3.885 1.00 50.00 H new ATOM 1257 N VAL A 81 -5.433 7.285 -2.690 1.00 50.00 N ATOM 1258 CA VAL A 81 -6.228 6.138 -3.113 1.00 50.00 C ATOM 1259 C VAL A 81 -7.378 5.880 -2.148 1.00 50.00 C ATOM 1260 O VAL A 81 -8.521 5.698 -2.566 1.00 50.00 O ATOM 1261 CB VAL A 81 -5.369 4.864 -3.223 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -6.252 3.642 -3.428 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.368 4.993 -4.361 1.00 50.00 C ATOM 0 H VAL A 81 -4.431 7.103 -2.629 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.630 6.380 -4.097 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.818 4.739 -2.291 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.629 2.751 -3.504 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.932 3.538 -2.582 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.829 3.760 -4.345 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.770 4.084 -4.424 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.902 5.142 -5.300 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.714 5.845 -4.176 1.00 50.00 H new ATOM 1273 N PHE A 82 -7.069 5.867 -0.855 1.00 50.00 N ATOM 1274 CA PHE A 82 -8.076 5.624 0.170 1.00 50.00 C ATOM 1275 C PHE A 82 -8.884 6.883 0.458 1.00 50.00 C ATOM 1276 O PHE A 82 -10.059 6.810 0.818 1.00 50.00 O ATOM 1277 CB PHE A 82 -7.418 5.116 1.453 1.00 50.00 C ATOM 1278 CG PHE A 82 -6.568 3.894 1.255 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -7.149 2.655 1.029 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -5.184 3.981 1.295 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -6.368 1.531 0.848 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -4.400 2.857 1.112 1.00 50.00 C ATOM 1283 CZ PHE A 82 -4.991 1.632 0.890 1.00 50.00 C ATOM 0 H PHE A 82 -6.128 6.022 -0.493 1.00 50.00 H new ATOM 0 HA PHE A 82 -8.758 4.861 -0.205 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -6.803 5.911 1.874 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -8.194 4.893 2.185 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -8.225 2.568 0.994 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -4.714 4.937 1.471 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -6.834 0.572 0.674 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -3.324 2.939 1.143 1.00 50.00 H new ATOM 0 HZ PHE A 82 -4.379 0.753 0.749 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.247 8.039 0.298 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.896 9.315 0.569 1.00 50.00 C ATOM 1295 C GLU A 83 -9.889 9.675 -0.528 1.00 50.00 C ATOM 1296 O GLU A 83 -10.483 10.752 -0.512 1.00 50.00 O ATOM 1297 CB GLU A 83 -7.852 10.425 0.720 1.00 50.00 C ATOM 1298 CG GLU A 83 -8.432 11.790 1.064 1.00 50.00 C ATOM 1299 CD GLU A 83 -7.367 12.726 1.565 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -6.215 12.367 1.510 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -7.691 13.841 1.896 1.00 75.00 O ATOM 0 H GLU A 83 -7.281 8.117 -0.019 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.446 9.216 1.505 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.144 10.138 1.497 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -7.289 10.507 -0.210 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -8.909 12.217 0.182 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -9.207 11.678 1.823 1.00 50.00 H new