USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=18 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 13 ASN : amide:sc= 0.982 K(o=2.4,f=-9.2!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 142:sc= 1.43 (180deg=1.04) USER MOD Set 2.1: A 38 GLN : amide:sc= -0.408! K(o=0.33!,f=-2.4) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.733 K(o=0.33,f=-4.7!) 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 USER MOD Single : A 9 THR OG1 : rot -62:sc= 1.2 USER MOD Single : A 11 ASN : amide:sc= -0.768 K(o=-0.77,f=-5.3!) USER MOD Single : A 12 HIS : no HD1:sc= -0.0816 X(o=-0.082,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 15 MET CE :methyl -125:sc= -0.125 (180deg=-2.11!) 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 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -28:sc= 0.0314 USER MOD Single : A 28 SER OG : rot 89:sc= 0.0918 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -71:sc= 0.861 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 -47:sc= 0.759 USER MOD Single : A 56 HIS : no HD1:sc= -0.9 K(o=-0.9,f=-0.37) USER MOD Single : A 58 MET CE :methyl 171:sc= 0 (180deg=-0.133) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0487 K(o=-0.049,f=-1.3) USER MOD Single : A 70 ASN : amide:sc=-0.00728 X(o=-0.0073,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 -11.792 3.150 4.569 1.00 50.00 N ATOM 21 CA LYS A 2 -11.400 4.455 5.088 1.00 50.00 C ATOM 22 C LYS A 2 -10.056 4.383 5.802 1.00 50.00 C ATOM 23 O LYS A 2 -9.867 3.570 6.707 1.00 50.00 O ATOM 24 CB LYS A 2 -12.471 4.998 6.036 1.00 50.00 C ATOM 25 CG LYS A 2 -12.126 6.337 6.672 1.00 50.00 C ATOM 26 CD LYS A 2 -12.244 7.474 5.666 1.00 50.00 C ATOM 27 CE LYS A 2 -11.893 8.813 6.300 1.00 75.00 C ATOM 28 NZ LYS A 2 -11.849 9.910 5.295 1.00 75.00 N ATOM 0 HA LYS A 2 -11.300 5.134 4.241 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -13.407 5.101 5.487 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -12.644 4.268 6.826 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -12.791 6.524 7.515 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -11.111 6.303 7.068 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -11.582 7.285 4.821 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -13.260 7.511 5.273 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -12.628 9.054 7.068 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -10.926 8.737 6.796 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -11.607 10.804 5.768 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -11.130 9.693 4.575 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -12.779 10.000 4.839 1.00 75.00 H new ATOM 42 N ILE A 3 -9.127 5.237 5.390 1.00 50.00 N ATOM 43 CA ILE A 3 -7.786 5.247 5.963 1.00 50.00 C ATOM 44 C ILE A 3 -7.690 6.226 7.126 1.00 50.00 C ATOM 45 O ILE A 3 -8.391 7.239 7.156 1.00 50.00 O ATOM 46 CB ILE A 3 -6.723 5.608 4.910 1.00 50.00 C ATOM 47 CG1 ILE A 3 -5.316 5.430 5.486 1.00 50.00 C ATOM 48 CG2 ILE A 3 -6.923 7.035 4.420 1.00 50.00 C ATOM 49 CD1 ILE A 3 -4.217 5.525 4.454 1.00 50.00 C ATOM 0 H ILE A 3 -9.278 5.933 4.660 1.00 50.00 H new ATOM 0 HA ILE A 3 -7.594 4.238 6.327 1.00 50.00 H new ATOM 0 HB ILE A 3 -6.835 4.933 4.061 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -5.149 6.187 6.252 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -5.256 4.460 5.979 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -6.163 7.274 3.676 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -7.912 7.131 3.972 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -6.837 7.724 5.260 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -3.250 5.389 4.938 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -4.358 4.750 3.700 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -4.249 6.505 3.977 1.00 50.00 H new ATOM 61 N ILE A 4 -6.819 5.920 8.082 1.00 10.00 N ATOM 62 CA ILE A 4 -6.542 6.829 9.186 1.00 10.00 C ATOM 63 C ILE A 4 -5.218 7.553 8.984 1.00 10.00 C ATOM 64 O ILE A 4 -5.162 8.782 9.002 1.00 50.00 O ATOM 65 CB ILE A 4 -6.513 6.087 10.535 1.00 50.00 C ATOM 66 CG1 ILE A 4 -7.879 5.463 10.832 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.102 7.034 11.653 1.00 50.00 C ATOM 68 CD1 ILE A 4 -7.881 4.532 12.022 1.00 50.00 C ATOM 0 H ILE A 4 -6.292 5.047 8.113 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.351 7.559 9.203 1.00 10.00 H new ATOM 0 HB ILE A 4 -5.776 5.286 10.474 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.602 6.260 11.006 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.216 4.914 9.953 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -6.086 6.494 12.600 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.109 7.432 11.446 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -6.816 7.855 11.715 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -8.884 4.130 12.168 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -7.184 3.713 11.844 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -7.576 5.080 12.913 1.00 50.00 H new ATOM 80 N SER A 5 -4.152 6.782 8.797 1.00 10.00 N ATOM 81 CA SER A 5 -2.821 7.348 8.611 1.00 10.00 C ATOM 82 C SER A 5 -1.830 6.285 8.152 1.00 10.00 C ATOM 83 O SER A 5 -2.105 5.088 8.235 1.00 50.00 O ATOM 84 CB SER A 5 -2.344 7.995 9.898 1.00 50.00 C ATOM 85 OG SER A 5 -2.127 7.052 10.911 1.00 50.00 O ATOM 0 H SER A 5 -4.184 5.763 8.770 1.00 10.00 H new ATOM 0 HA SER A 5 -2.881 8.109 7.833 1.00 10.00 H new ATOM 0 HB2 SER A 5 -1.420 8.542 9.708 1.00 50.00 H new ATOM 0 HB3 SER A 5 -3.083 8.723 10.233 1.00 50.00 H new ATOM 0 HG SER A 5 -1.819 7.508 11.722 1.00 50.00 H new ATOM 91 N ILE A 6 -0.676 6.730 7.667 1.00 10.00 N ATOM 92 CA ILE A 6 0.391 5.819 7.269 1.00 10.00 C ATOM 93 C ILE A 6 1.671 6.096 8.046 1.00 10.00 C ATOM 94 O ILE A 6 2.160 7.226 8.071 1.00 50.00 O ATOM 95 CB ILE A 6 0.685 5.917 5.760 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.592 5.674 4.950 1.00 50.00 C ATOM 97 CG2 ILE A 6 1.767 4.925 5.363 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.420 5.883 3.464 1.00 50.00 C ATOM 0 H ILE A 6 -0.455 7.718 7.540 1.00 10.00 H new ATOM 0 HA ILE A 6 0.044 4.811 7.496 1.00 10.00 H new ATOM 0 HB ILE A 6 1.045 6.923 5.542 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.935 4.655 5.127 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.374 6.341 5.313 1.00 50.00 H new ATOM 0 HG21 ILE A 6 1.962 5.008 4.294 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.681 5.142 5.916 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.435 3.913 5.594 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -1.366 5.692 2.958 1.00 50.00 H new ATOM 0 HD12 ILE A 6 -0.108 6.910 3.275 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.338 5.198 3.086 1.00 50.00 H new ATOM 110 N SER A 7 2.210 5.060 8.678 1.00 10.00 N ATOM 111 CA SER A 7 3.390 5.205 9.521 1.00 10.00 C ATOM 112 C SER A 7 4.527 4.314 9.036 1.00 10.00 C ATOM 113 O SER A 7 4.322 3.139 8.737 1.00 50.00 O ATOM 114 CB SER A 7 3.044 4.884 10.962 1.00 50.00 C ATOM 115 OG SER A 7 4.173 4.902 11.791 1.00 50.00 O ATOM 0 H SER A 7 1.847 4.108 8.622 1.00 10.00 H new ATOM 0 HA SER A 7 3.727 6.240 9.459 1.00 10.00 H new ATOM 0 HB2 SER A 7 2.314 5.606 11.329 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.574 3.902 11.011 1.00 50.00 H new ATOM 0 HG SER A 7 3.907 4.692 12.711 1.00 50.00 H new ATOM 121 N GLU A 8 5.725 4.883 8.961 1.00 10.00 N ATOM 122 CA GLU A 8 6.905 4.131 8.553 1.00 50.00 C ATOM 123 C GLU A 8 7.223 3.022 9.547 1.00 10.00 C ATOM 124 O GLU A 8 6.778 3.058 10.695 1.00 50.00 O ATOM 125 CB GLU A 8 8.110 5.063 8.403 1.00 50.00 C ATOM 126 CG GLU A 8 8.573 5.706 9.704 1.00 50.00 C ATOM 127 CD GLU A 8 9.712 6.658 9.467 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.085 6.838 8.333 1.00 50.00 O ATOM 129 OE2 GLU A 8 10.137 7.290 10.404 1.00 50.00 O ATOM 0 H GLU A 8 5.904 5.863 9.178 1.00 10.00 H new ATOM 0 HA GLU A 8 6.689 3.672 7.588 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.939 4.499 7.975 1.00 50.00 H new ATOM 0 HB3 GLU A 8 7.859 5.850 7.692 1.00 50.00 H new ATOM 0 HG2 GLU A 8 7.741 6.238 10.165 1.00 50.00 H new ATOM 0 HG3 GLU A 8 8.884 4.931 10.405 1.00 50.00 H new ATOM 136 N THR A 9 7.994 2.036 9.101 1.00 50.00 N ATOM 137 CA THR A 9 8.330 0.888 9.935 1.00 10.00 C ATOM 138 C THR A 9 9.839 0.692 10.021 1.00 10.00 C ATOM 139 O THR A 9 10.593 1.261 9.232 1.00 50.00 O ATOM 140 CB THR A 9 7.684 -0.404 9.403 1.00 50.00 C ATOM 141 OG1 THR A 9 8.290 -0.766 8.155 1.00 50.00 O ATOM 142 CG2 THR A 9 6.189 -0.210 9.198 1.00 50.00 C ATOM 0 H THR A 9 8.399 2.009 8.165 1.00 50.00 H new ATOM 0 HA THR A 9 7.937 1.097 10.930 1.00 10.00 H new ATOM 0 HB THR A 9 7.840 -1.197 10.135 1.00 50.00 H new ATOM 0 HG1 THR A 9 8.124 -0.062 7.494 1.00 50.00 H new ATOM 0 HG21 THR A 9 5.750 -1.134 8.822 1.00 50.00 H new ATOM 0 HG22 THR A 9 5.723 0.053 10.148 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.021 0.591 8.478 1.00 50.00 H new ATOM 150 N PRO A 10 10.270 -0.116 10.983 1.00 50.00 N ATOM 151 CA PRO A 10 11.689 -0.405 11.160 1.00 50.00 C ATOM 152 C PRO A 10 12.295 -0.980 9.886 1.00 50.00 C ATOM 153 O PRO A 10 13.499 -0.869 9.655 1.00 50.00 O ATOM 154 CB PRO A 10 11.723 -1.407 12.318 1.00 50.00 C ATOM 155 CG PRO A 10 10.466 -1.144 13.074 1.00 50.00 C ATOM 156 CD PRO A 10 9.446 -0.766 12.032 1.00 50.00 C ATOM 0 HA PRO A 10 12.279 0.486 11.375 1.00 50.00 H new ATOM 0 HB2 PRO A 10 11.760 -2.434 11.954 1.00 50.00 H new ATOM 0 HB3 PRO A 10 12.602 -1.259 12.945 1.00 50.00 H new ATOM 0 HG2 PRO A 10 10.150 -2.026 13.631 1.00 50.00 H new ATOM 0 HG3 PRO A 10 10.604 -0.342 13.799 1.00 50.00 H new ATOM 0 HD2 PRO A 10 8.918 -1.639 11.648 1.00 50.00 H new ATOM 0 HD3 PRO A 10 8.692 -0.088 12.432 1.00 50.00 H new ATOM 164 N ASN A 11 11.454 -1.595 9.061 1.00 50.00 N ATOM 165 CA ASN A 11 11.902 -2.170 7.798 1.00 50.00 C ATOM 166 C ASN A 11 11.996 -1.106 6.712 1.00 50.00 C ATOM 167 O ASN A 11 10.979 -0.605 6.231 1.00 50.00 O ATOM 168 CB ASN A 11 10.994 -3.299 7.350 1.00 50.00 C ATOM 169 CG ASN A 11 11.488 -4.024 6.127 1.00 50.00 C ATOM 170 OD1 ASN A 11 12.273 -3.487 5.338 1.00 75.00 O ATOM 171 ND2 ASN A 11 10.970 -5.209 5.926 1.00 50.00 N ATOM 0 H ASN A 11 10.457 -1.708 9.245 1.00 50.00 H new ATOM 0 HA ASN A 11 12.898 -2.581 7.966 1.00 50.00 H new ATOM 0 HB2 ASN A 11 10.887 -4.013 8.166 1.00 50.00 H new ATOM 0 HB3 ASN A 11 10.002 -2.896 7.147 1.00 50.00 H new ATOM 0 HD21 ASN A 11 11.210 -5.735 5.085 1.00 50.00 H new ATOM 0 HD22 ASN A 11 10.326 -5.607 6.610 1.00 50.00 H new ATOM 178 N HIS A 12 13.222 -0.764 6.330 1.00 50.00 N ATOM 179 CA HIS A 12 13.453 0.293 5.353 1.00 50.00 C ATOM 180 C HIS A 12 12.777 -0.026 4.026 1.00 50.00 C ATOM 181 O HIS A 12 12.833 -1.157 3.545 1.00 50.00 O ATOM 182 CB HIS A 12 14.954 0.511 5.137 1.00 50.00 C ATOM 183 CG HIS A 12 15.275 1.727 4.326 1.00 50.00 C ATOM 184 ND1 HIS A 12 16.438 1.851 3.597 1.00 75.00 N ATOM 185 CD2 HIS A 12 14.584 2.875 4.128 1.00 50.00 C ATOM 186 CE1 HIS A 12 16.450 3.022 2.986 1.00 75.00 C ATOM 187 NE2 HIS A 12 15.335 3.663 3.291 1.00 75.00 N ATOM 0 H HIS A 12 14.072 -1.204 6.683 1.00 50.00 H new ATOM 0 HA HIS A 12 13.016 1.210 5.749 1.00 50.00 H new ATOM 0 HB2 HIS A 12 15.444 0.593 6.107 1.00 50.00 H new ATOM 0 HB3 HIS A 12 15.372 -0.366 4.642 1.00 50.00 H new ATOM 0 HD2 HIS A 12 13.622 3.124 4.550 1.00 50.00 H new ATOM 0 HE1 HIS A 12 17.237 3.393 2.346 1.00 75.00 H new ATOM 0 HE2 HIS A 12 15.075 4.592 2.959 1.00 75.00 H new ATOM 195 N ASN A 13 12.139 0.980 3.437 1.00 10.00 N ATOM 196 CA ASN A 13 11.471 0.814 2.150 1.00 10.00 C ATOM 197 C ASN A 13 10.133 0.104 2.313 1.00 10.00 C ATOM 198 O ASN A 13 9.531 -0.337 1.333 1.00 50.00 O ATOM 199 CB ASN A 13 12.346 0.065 1.162 1.00 50.00 C ATOM 200 CG ASN A 13 13.681 0.714 0.924 1.00 50.00 C ATOM 201 OD1 ASN A 13 13.763 1.882 0.522 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.724 -0.059 1.091 1.00 50.00 N ATOM 0 H ASN A 13 12.070 1.919 3.830 1.00 10.00 H new ATOM 0 HA ASN A 13 11.287 1.812 1.752 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.505 -0.949 1.528 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.818 -0.018 0.212 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.659 0.295 0.887 1.00 50.00 H new ATOM 0 HD22 ASN A 13 14.602 -1.015 1.425 1.00 50.00 H new ATOM 209 N THR A 14 9.674 -0.007 3.554 1.00 10.00 N ATOM 210 CA THR A 14 8.350 -0.549 3.837 1.00 10.00 C ATOM 211 C THR A 14 7.616 0.295 4.871 1.00 10.00 C ATOM 212 O THR A 14 8.197 0.702 5.877 1.00 50.00 O ATOM 213 CB THR A 14 8.432 -2.002 4.338 1.00 50.00 C ATOM 214 OG1 THR A 14 9.075 -2.817 3.350 1.00 50.00 O ATOM 215 CG2 THR A 14 7.041 -2.550 4.616 1.00 50.00 C ATOM 0 H THR A 14 10.200 0.272 4.382 1.00 10.00 H new ATOM 0 HA THR A 14 7.795 -0.528 2.899 1.00 10.00 H new ATOM 0 HB THR A 14 9.009 -2.019 5.263 1.00 50.00 H new ATOM 0 HG1 THR A 14 9.127 -3.741 3.672 1.00 50.00 H new ATOM 0 HG21 THR A 14 7.119 -3.578 4.969 1.00 50.00 H new ATOM 0 HG22 THR A 14 6.555 -1.940 5.378 1.00 50.00 H new ATOM 0 HG23 THR A 14 6.450 -2.525 3.700 1.00 50.00 H new ATOM 223 N MET A 15 6.339 0.553 4.616 1.00 10.00 N ATOM 224 CA MET A 15 5.530 1.373 5.512 1.00 10.00 C ATOM 225 C MET A 15 4.216 0.685 5.853 1.00 10.00 C ATOM 226 O MET A 15 3.726 -0.152 5.093 1.00 50.00 O ATOM 227 CB MET A 15 5.264 2.739 4.880 1.00 50.00 C ATOM 228 CG MET A 15 6.514 3.574 4.638 1.00 50.00 C ATOM 229 SD MET A 15 6.136 5.214 3.988 1.00 50.00 S ATOM 230 CE MET A 15 5.442 6.002 5.437 1.00 50.00 C ATOM 0 H MET A 15 5.841 0.207 3.796 1.00 10.00 H new ATOM 0 HA MET A 15 6.087 1.512 6.439 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.750 2.592 3.930 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.587 3.299 5.525 1.00 50.00 H new ATOM 0 HG2 MET A 15 7.065 3.676 5.573 1.00 50.00 H new ATOM 0 HG3 MET A 15 7.166 3.051 3.938 1.00 50.00 H new ATOM 0 HE1 MET A 15 4.452 6.392 5.200 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.361 5.274 6.244 1.00 50.00 H new ATOM 0 HE3 MET A 15 6.089 6.821 5.751 1.00 50.00 H new ATOM 240 N LYS A 16 3.646 1.042 6.999 1.00 10.00 N ATOM 241 CA LYS A 16 2.418 0.416 7.471 1.00 10.00 C ATOM 242 C LYS A 16 1.230 1.358 7.324 1.00 10.00 C ATOM 243 O LYS A 16 1.286 2.515 7.740 1.00 50.00 O ATOM 244 CB LYS A 16 2.564 -0.020 8.930 1.00 50.00 C ATOM 245 CG LYS A 16 1.314 -0.653 9.526 1.00 50.00 C ATOM 246 CD LYS A 16 1.488 -0.928 11.012 1.00 50.00 C ATOM 247 CE LYS A 16 0.214 -1.491 11.624 1.00 50.00 C ATOM 248 NZ LYS A 16 0.359 -1.734 13.085 1.00 50.00 N ATOM 0 H LYS A 16 4.016 1.763 7.618 1.00 10.00 H new ATOM 0 HA LYS A 16 2.235 -0.465 6.855 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.387 -0.731 9.003 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.838 0.848 9.530 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.461 0.008 9.374 1.00 50.00 H new ATOM 0 HG3 LYS A 16 1.092 -1.584 9.005 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.307 -1.632 11.160 1.00 50.00 H new ATOM 0 HD3 LYS A 16 1.764 -0.006 11.525 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.609 -0.797 11.452 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -0.046 -2.424 11.125 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.531 -2.117 13.463 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.127 -2.416 13.249 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 0.582 -0.839 13.565 1.00 50.00 H new ATOM 262 N ILE A 17 0.152 0.855 6.730 1.00 10.00 N ATOM 263 CA ILE A 17 -1.040 1.661 6.497 1.00 10.00 C ATOM 264 C ILE A 17 -2.164 1.270 7.449 1.00 10.00 C ATOM 265 O ILE A 17 -2.600 0.120 7.469 1.00 50.00 O ATOM 266 CB ILE A 17 -1.539 1.526 5.046 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.446 1.956 4.063 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.800 2.349 4.839 1.00 50.00 C ATOM 269 CD1 ILE A 17 -0.769 1.650 2.620 1.00 50.00 C ATOM 0 H ILE A 17 0.080 -0.108 6.401 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.758 2.698 6.679 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.778 0.479 4.857 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -0.277 3.028 4.168 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.486 1.458 4.330 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -3.139 2.242 3.809 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.579 1.998 5.516 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.587 3.398 5.044 1.00 50.00 H new ATOM 0 HD11 ILE A 17 0.052 1.984 1.985 1.00 50.00 H new ATOM 0 HD12 ILE A 17 -0.909 0.576 2.498 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -1.684 2.169 2.334 1.00 50.00 H new ATOM 281 N THR A 18 -2.629 2.235 8.235 1.00 10.00 N ATOM 282 CA THR A 18 -3.657 1.979 9.236 1.00 10.00 C ATOM 283 C THR A 18 -5.028 2.419 8.741 1.00 10.00 C ATOM 284 O THR A 18 -5.242 3.592 8.435 1.00 50.00 O ATOM 285 CB THR A 18 -3.346 2.697 10.563 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.104 2.214 11.091 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.454 2.449 11.575 1.00 50.00 C ATOM 0 H THR A 18 -2.309 3.203 8.198 1.00 10.00 H new ATOM 0 HA THR A 18 -3.665 0.903 9.410 1.00 10.00 H new ATOM 0 HB THR A 18 -3.275 3.768 10.372 1.00 50.00 H new ATOM 0 HG1 THR A 18 -1.907 2.673 11.934 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.218 2.964 12.506 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.398 2.826 11.181 1.00 50.00 H new ATOM 0 HG23 THR A 18 -4.542 1.379 11.764 1.00 50.00 H new ATOM 295 N LEU A 19 -5.957 1.472 8.665 1.00 10.00 N ATOM 296 CA LEU A 19 -7.291 1.747 8.143 1.00 50.00 C ATOM 297 C LEU A 19 -8.331 1.739 9.257 1.00 10.00 C ATOM 298 O LEU A 19 -8.287 0.898 10.155 1.00 50.00 O ATOM 299 CB LEU A 19 -7.660 0.723 7.063 1.00 50.00 C ATOM 300 CG LEU A 19 -6.663 0.612 5.901 1.00 50.00 C ATOM 301 CD1 LEU A 19 -7.088 -0.500 4.954 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.585 1.944 5.169 1.00 50.00 C ATOM 0 H LEU A 19 -5.811 0.506 8.959 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.281 2.742 7.699 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.758 -0.256 7.532 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.638 0.982 6.658 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.675 0.368 6.291 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -6.375 -0.571 4.133 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -7.116 -1.447 5.494 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -8.079 -0.280 4.556 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.877 1.865 4.344 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.569 2.203 4.779 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.253 2.720 5.859 1.00 50.00 H new ATOM 314 N SER A 20 -9.264 2.682 9.195 1.00 10.00 N ATOM 315 CA SER A 20 -10.462 2.629 10.024 1.00 10.00 C ATOM 316 C SER A 20 -11.445 1.587 9.507 1.00 50.00 C ATOM 317 O SER A 20 -12.051 0.852 10.287 1.00 50.00 O ATOM 318 CB SER A 20 -11.120 3.995 10.078 1.00 50.00 C ATOM 319 OG SER A 20 -12.288 3.986 10.851 1.00 50.00 O ATOM 0 H SER A 20 -9.214 3.493 8.579 1.00 10.00 H new ATOM 0 HA SER A 20 -10.165 2.337 11.031 1.00 10.00 H new ATOM 0 HB2 SER A 20 -10.418 4.719 10.491 1.00 50.00 H new ATOM 0 HB3 SER A 20 -11.358 4.323 9.066 1.00 50.00 H new ATOM 0 HG SER A 20 -12.680 4.884 10.862 1.00 50.00 H new ATOM 414 N THR A 27 -9.408 -10.744 5.712 1.00 50.00 N ATOM 415 CA THR A 27 -8.529 -11.907 5.705 1.00 50.00 C ATOM 416 C THR A 27 -7.186 -11.579 5.066 1.00 50.00 C ATOM 417 O THR A 27 -7.041 -10.558 4.393 1.00 50.00 O ATOM 418 CB THR A 27 -9.166 -13.093 4.959 1.00 50.00 C ATOM 419 OG1 THR A 27 -9.382 -12.738 3.588 1.00 50.00 O ATOM 420 CG2 THR A 27 -10.493 -13.474 5.597 1.00 75.00 C ATOM 0 HA THR A 27 -8.373 -12.188 6.747 1.00 50.00 H new ATOM 0 HB THR A 27 -8.489 -13.946 5.018 1.00 50.00 H new ATOM 0 HG1 THR A 27 -9.513 -11.769 3.518 1.00 50.00 H new ATOM 0 HG21 THR A 27 -10.929 -14.314 5.056 1.00 75.00 H new ATOM 0 HG22 THR A 27 -10.329 -13.757 6.637 1.00 75.00 H new ATOM 0 HG23 THR A 27 -11.174 -12.624 5.556 1.00 75.00 H new ATOM 428 N SER A 28 -6.206 -12.450 5.277 1.00 10.00 N ATOM 429 CA SER A 28 -4.846 -12.203 4.813 1.00 10.00 C ATOM 430 C SER A 28 -4.714 -12.488 3.322 1.00 10.00 C ATOM 431 O SER A 28 -5.100 -13.557 2.849 1.00 50.00 O ATOM 432 CB SER A 28 -3.864 -13.046 5.602 1.00 50.00 C ATOM 433 OG SER A 28 -2.557 -12.934 5.105 1.00 50.00 O ATOM 0 H SER A 28 -6.328 -13.336 5.768 1.00 10.00 H new ATOM 0 HA SER A 28 -4.617 -11.150 4.974 1.00 10.00 H new ATOM 0 HB2 SER A 28 -3.882 -12.739 6.648 1.00 50.00 H new ATOM 0 HB3 SER A 28 -4.176 -14.090 5.571 1.00 50.00 H new ATOM 0 HG SER A 28 -2.103 -12.184 5.544 1.00 50.00 H new ATOM 439 N ASP A 29 -4.166 -11.526 2.587 1.00 10.00 N ATOM 440 CA ASP A 29 -3.905 -11.704 1.164 1.00 10.00 C ATOM 441 C ASP A 29 -2.607 -11.022 0.753 1.00 10.00 C ATOM 442 O ASP A 29 -2.177 -10.054 1.381 1.00 50.00 O ATOM 443 CB ASP A 29 -5.070 -11.161 0.333 1.00 50.00 C ATOM 444 CG ASP A 29 -6.329 -12.015 0.381 1.00 50.00 C ATOM 445 OD1 ASP A 29 -6.276 -13.142 -0.049 1.00 50.00 O ATOM 446 OD2 ASP A 29 -7.286 -11.594 0.987 1.00 50.00 O ATOM 0 H ASP A 29 -3.894 -10.614 2.954 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.804 -12.773 0.975 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -5.313 -10.158 0.683 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -4.748 -11.068 -0.704 1.00 50.00 H new ATOM 451 N THR A 30 -1.986 -11.532 -0.304 1.00 10.00 N ATOM 452 CA THR A 30 -0.769 -10.934 -0.842 1.00 10.00 C ATOM 453 C THR A 30 -1.003 -10.369 -2.237 1.00 10.00 C ATOM 454 O THR A 30 -1.540 -11.050 -3.111 1.00 50.00 O ATOM 455 CB THR A 30 0.384 -11.951 -0.898 1.00 50.00 C ATOM 456 OG1 THR A 30 0.664 -12.434 0.423 1.00 50.00 O ATOM 457 CG2 THR A 30 1.636 -11.307 -1.474 1.00 50.00 C ATOM 0 H THR A 30 -2.306 -12.360 -0.807 1.00 10.00 H new ATOM 0 HA THR A 30 -0.493 -10.124 -0.167 1.00 10.00 H new ATOM 0 HB THR A 30 0.086 -12.780 -1.540 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.398 -13.083 0.385 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.441 -12.041 -1.506 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.430 -10.950 -2.483 1.00 50.00 H new ATOM 0 HG23 THR A 30 1.935 -10.468 -0.846 1.00 50.00 H new ATOM 465 N TYR A 31 -0.598 -9.120 -2.440 1.00 10.00 N ATOM 466 CA TYR A 31 -0.855 -8.425 -3.696 1.00 10.00 C ATOM 467 C TYR A 31 0.440 -7.946 -4.336 1.00 10.00 C ATOM 468 O TYR A 31 1.094 -7.033 -3.828 1.00 50.00 O ATOM 469 CB TYR A 31 -1.798 -7.242 -3.469 1.00 50.00 C ATOM 470 CG TYR A 31 -3.147 -7.631 -2.903 1.00 50.00 C ATOM 471 CD1 TYR A 31 -4.042 -8.379 -3.653 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.520 -7.249 -1.624 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.274 -8.738 -3.142 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.748 -7.602 -1.102 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.625 -8.347 -1.865 1.00 50.00 C ATOM 476 OH TYR A 31 -6.851 -8.701 -1.353 1.00 50.00 O ATOM 0 H TYR A 31 -0.090 -8.567 -1.750 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.330 -9.132 -4.377 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.321 -6.535 -2.790 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -1.948 -6.723 -4.416 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -3.771 -8.686 -4.653 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.837 -6.665 -1.025 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -5.960 -9.322 -3.738 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -5.021 -7.297 -0.103 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.940 -8.348 -0.443 1.00 50.00 H new ATOM 486 N THR A 32 0.809 -8.564 -5.452 1.00 10.00 N ATOM 487 CA THR A 32 2.070 -8.261 -6.117 1.00 10.00 C ATOM 488 C THR A 32 1.838 -7.784 -7.545 1.00 10.00 C ATOM 489 O THR A 32 2.647 -7.044 -8.102 1.00 50.00 O ATOM 490 CB THR A 32 3.006 -9.482 -6.141 1.00 50.00 C ATOM 491 OG1 THR A 32 2.385 -10.551 -6.865 1.00 50.00 O ATOM 492 CG2 THR A 32 3.313 -9.945 -4.725 1.00 50.00 C ATOM 0 H THR A 32 0.251 -9.280 -5.916 1.00 10.00 H new ATOM 0 HA THR A 32 2.543 -7.465 -5.542 1.00 10.00 H new ATOM 0 HB THR A 32 3.937 -9.197 -6.630 1.00 50.00 H new ATOM 0 HG1 THR A 32 2.984 -11.327 -6.880 1.00 50.00 H new ATOM 0 HG21 THR A 32 3.976 -10.809 -4.761 1.00 50.00 H new ATOM 0 HG22 THR A 32 3.798 -9.138 -4.175 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.385 -10.220 -4.223 1.00 50.00 H new ATOM 500 N LYS A 33 0.726 -8.213 -8.134 1.00 10.00 N ATOM 501 CA LYS A 33 0.435 -7.915 -9.531 1.00 50.00 C ATOM 502 C LYS A 33 -1.011 -7.470 -9.709 1.00 50.00 C ATOM 503 O LYS A 33 -1.936 -8.124 -9.232 1.00 50.00 O ATOM 504 CB LYS A 33 0.722 -9.134 -10.409 1.00 50.00 C ATOM 505 CG LYS A 33 0.565 -8.884 -11.903 1.00 50.00 C ATOM 506 CD LYS A 33 0.955 -10.112 -12.713 1.00 50.00 C ATOM 507 CE LYS A 33 0.755 -9.879 -14.203 1.00 75.00 C ATOM 508 NZ LYS A 33 1.189 -11.049 -15.013 1.00 75.00 N ATOM 0 H LYS A 33 0.011 -8.769 -7.664 1.00 10.00 H new ATOM 0 HA LYS A 33 1.084 -7.096 -9.840 1.00 50.00 H new ATOM 0 HB2 LYS A 33 1.739 -9.475 -10.215 1.00 50.00 H new ATOM 0 HB3 LYS A 33 0.053 -9.943 -10.116 1.00 50.00 H new ATOM 0 HG2 LYS A 33 -0.468 -8.614 -12.122 1.00 50.00 H new ATOM 0 HG3 LYS A 33 1.185 -8.038 -12.200 1.00 50.00 H new ATOM 0 HD2 LYS A 33 1.998 -10.362 -12.519 1.00 50.00 H new ATOM 0 HD3 LYS A 33 0.358 -10.966 -12.393 1.00 50.00 H new ATOM 0 HE2 LYS A 33 -0.297 -9.672 -14.400 1.00 75.00 H new ATOM 0 HE3 LYS A 33 1.316 -8.997 -14.511 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 1.036 -10.849 -16.022 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 2.199 -11.232 -14.846 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 0.636 -11.886 -14.738 1.00 75.00 H new ATOM 522 N VAL A 34 -1.198 -6.350 -10.400 1.00 50.00 N ATOM 523 CA VAL A 34 -2.528 -5.788 -10.603 1.00 50.00 C ATOM 524 C VAL A 34 -3.495 -6.843 -11.127 1.00 50.00 C ATOM 525 O VAL A 34 -3.182 -7.576 -12.065 1.00 50.00 O ATOM 526 CB VAL A 34 -2.496 -4.603 -11.585 1.00 50.00 C ATOM 527 CG1 VAL A 34 -3.911 -4.160 -11.932 1.00 50.00 C ATOM 528 CG2 VAL A 34 -1.709 -3.443 -10.995 1.00 50.00 C ATOM 0 H VAL A 34 -0.444 -5.813 -10.829 1.00 50.00 H new ATOM 0 HA VAL A 34 -2.872 -5.433 -9.632 1.00 50.00 H new ATOM 0 HB VAL A 34 -2.000 -4.928 -12.500 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -3.870 -3.321 -12.627 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -4.449 -4.988 -12.394 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.429 -3.853 -11.024 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -1.697 -2.614 -11.703 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -2.179 -3.120 -10.066 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -0.687 -3.762 -10.793 1.00 50.00 H new ATOM 538 N ASP A 35 -4.674 -6.913 -10.516 1.00 50.00 N ATOM 539 CA ASP A 35 -5.659 -7.929 -10.865 1.00 50.00 C ATOM 540 C ASP A 35 -7.056 -7.520 -10.415 1.00 50.00 C ATOM 541 O ASP A 35 -7.217 -6.838 -9.404 1.00 50.00 O ATOM 542 CB ASP A 35 -5.281 -9.277 -10.245 1.00 50.00 C ATOM 543 CG ASP A 35 -6.045 -10.466 -10.812 1.00 50.00 C ATOM 544 OD1 ASP A 35 -7.216 -10.580 -10.537 1.00 50.00 O ATOM 545 OD2 ASP A 35 -5.499 -11.159 -11.637 1.00 50.00 O ATOM 0 H ASP A 35 -4.970 -6.277 -9.776 1.00 50.00 H new ATOM 0 HA ASP A 35 -5.666 -8.027 -11.951 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.214 -9.444 -10.390 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.453 -9.230 -9.170 1.00 50.00 H new ATOM 550 N ASP A 36 -8.063 -7.942 -11.171 1.00 50.00 N ATOM 551 CA ASP A 36 -9.439 -7.535 -10.913 1.00 50.00 C ATOM 552 C ASP A 36 -9.927 -8.070 -9.573 1.00 50.00 C ATOM 553 O ASP A 36 -10.770 -7.456 -8.920 1.00 50.00 O ATOM 554 CB ASP A 36 -10.360 -8.014 -12.038 1.00 50.00 C ATOM 555 CG ASP A 36 -10.218 -7.239 -13.340 1.00 50.00 C ATOM 556 OD1 ASP A 36 -9.597 -6.202 -13.327 1.00 50.00 O ATOM 557 OD2 ASP A 36 -10.590 -7.762 -14.363 1.00 50.00 O ATOM 0 H ASP A 36 -7.952 -8.567 -11.969 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.464 -6.446 -10.876 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -10.158 -9.067 -12.233 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.394 -7.945 -11.699 1.00 50.00 H new ATOM 562 N SER A 37 -9.393 -9.218 -9.169 1.00 50.00 N ATOM 563 CA SER A 37 -9.798 -9.854 -7.920 1.00 50.00 C ATOM 564 C SER A 37 -9.312 -9.058 -6.715 1.00 50.00 C ATOM 565 O SER A 37 -9.761 -9.280 -5.590 1.00 50.00 O ATOM 566 CB SER A 37 -9.269 -11.274 -7.863 1.00 50.00 C ATOM 567 OG SER A 37 -7.869 -11.315 -7.857 1.00 50.00 O ATOM 0 H SER A 37 -8.678 -9.727 -9.689 1.00 50.00 H new ATOM 0 HA SER A 37 -10.887 -9.879 -7.888 1.00 50.00 H new ATOM 0 HB2 SER A 37 -9.649 -11.766 -6.968 1.00 50.00 H new ATOM 0 HB3 SER A 37 -9.644 -11.835 -8.719 1.00 50.00 H new ATOM 0 HG SER A 37 -7.531 -11.061 -8.741 1.00 50.00 H new ATOM 573 N GLN A 38 -8.393 -8.128 -6.956 1.00 50.00 N ATOM 574 CA GLN A 38 -7.820 -7.322 -5.886 1.00 50.00 C ATOM 575 C GLN A 38 -8.628 -6.050 -5.662 1.00 50.00 C ATOM 576 O GLN A 38 -9.301 -5.563 -6.571 1.00 50.00 O ATOM 577 CB GLN A 38 -6.366 -6.962 -6.205 1.00 50.00 C ATOM 578 CG GLN A 38 -5.501 -8.150 -6.586 1.00 50.00 C ATOM 579 CD GLN A 38 -4.111 -7.735 -7.033 1.00 50.00 C ATOM 580 OE1 GLN A 38 -3.854 -6.554 -7.290 1.00 75.00 O ATOM 581 NE2 GLN A 38 -3.210 -8.704 -7.135 1.00 50.00 N ATOM 0 H GLN A 38 -8.029 -7.914 -7.885 1.00 50.00 H new ATOM 0 HA GLN A 38 -7.850 -7.916 -4.972 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.353 -6.240 -7.022 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -5.926 -6.470 -5.337 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -5.419 -8.824 -5.734 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -5.986 -8.707 -7.388 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -3.468 -9.665 -6.912 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -2.260 -8.487 -7.436 1.00 50.00 H new ATOM 590 N PRO A 39 -8.555 -5.515 -4.449 1.00 50.00 N ATOM 591 CA PRO A 39 -9.130 -4.208 -4.151 1.00 50.00 C ATOM 592 C PRO A 39 -8.717 -3.176 -5.195 1.00 50.00 C ATOM 593 O PRO A 39 -7.544 -3.069 -5.547 1.00 50.00 O ATOM 594 CB PRO A 39 -8.588 -3.868 -2.760 1.00 50.00 C ATOM 595 CG PRO A 39 -8.312 -5.192 -2.134 1.00 50.00 C ATOM 596 CD PRO A 39 -7.841 -6.074 -3.261 1.00 50.00 C ATOM 0 HA PRO A 39 -10.220 -4.211 -4.172 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -7.684 -3.263 -2.823 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -9.313 -3.298 -2.180 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -7.553 -5.109 -1.356 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.207 -5.599 -1.664 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -6.759 -6.029 -3.383 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -8.099 -7.119 -3.090 1.00 50.00 H new ATOM 604 N ALA A 40 -9.691 -2.416 -5.684 1.00 50.00 N ATOM 605 CA ALA A 40 -9.422 -1.342 -6.633 1.00 50.00 C ATOM 606 C ALA A 40 -8.328 -0.414 -6.120 1.00 50.00 C ATOM 607 O ALA A 40 -7.447 -0.004 -6.874 1.00 50.00 O ATOM 608 CB ALA A 40 -10.695 -0.559 -6.921 1.00 50.00 C ATOM 0 H ALA A 40 -10.675 -2.524 -5.438 1.00 50.00 H new ATOM 0 HA ALA A 40 -9.070 -1.792 -7.561 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.478 0.239 -7.631 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.445 -1.227 -7.344 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -11.074 -0.128 -5.995 1.00 50.00 H new ATOM 614 N PHE A 41 -8.390 -0.092 -4.833 1.00 50.00 N ATOM 615 CA PHE A 41 -7.333 0.675 -4.184 1.00 50.00 C ATOM 616 C PHE A 41 -5.976 0.013 -4.375 1.00 50.00 C ATOM 617 O PHE A 41 -5.008 0.660 -4.776 1.00 50.00 O ATOM 618 CB PHE A 41 -7.633 0.844 -2.694 1.00 50.00 C ATOM 619 CG PHE A 41 -8.714 1.846 -2.403 1.00 50.00 C ATOM 620 CD1 PHE A 41 -9.248 2.626 -3.418 1.00 75.00 C ATOM 621 CD2 PHE A 41 -9.197 2.012 -1.113 1.00 75.00 C ATOM 622 CE1 PHE A 41 -10.242 3.548 -3.150 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.192 2.931 -0.845 1.00 75.00 C ATOM 624 CZ PHE A 41 -10.714 3.700 -1.863 1.00 75.00 C ATOM 0 H PHE A 41 -9.162 -0.350 -4.218 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.299 1.659 -4.651 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -7.924 -0.121 -2.280 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -6.721 1.149 -2.181 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -8.883 2.512 -4.428 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -8.790 1.416 -0.310 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -10.649 4.150 -3.949 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -10.562 3.047 0.163 1.00 75.00 H new ATOM 0 HZ PHE A 41 -11.491 4.420 -1.653 1.00 75.00 H new ATOM 634 N ILE A 42 -5.908 -1.281 -4.083 1.00 50.00 N ATOM 635 CA ILE A 42 -4.668 -2.034 -4.220 1.00 50.00 C ATOM 636 C ILE A 42 -4.136 -1.966 -5.645 1.00 10.00 C ATOM 637 O ILE A 42 -2.929 -1.857 -5.864 1.00 50.00 O ATOM 638 CB ILE A 42 -4.854 -3.509 -3.820 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.077 -3.629 -2.310 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.652 -4.334 -4.251 1.00 50.00 C ATOM 641 CD1 ILE A 42 -3.888 -3.201 -1.481 1.00 50.00 C ATOM 0 H ILE A 42 -6.699 -1.831 -3.749 1.00 50.00 H new ATOM 0 HA ILE A 42 -3.946 -1.574 -3.545 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.736 -3.897 -4.330 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -5.939 -3.024 -2.030 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.322 -4.664 -2.070 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -3.801 -5.374 -3.960 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.538 -4.273 -5.333 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -2.754 -3.948 -3.769 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -4.123 -3.315 -0.423 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -3.028 -3.822 -1.731 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -3.655 -2.157 -1.691 1.00 50.00 H new ATOM 653 N ASN A 43 -5.044 -2.035 -6.613 1.00 10.00 N ATOM 654 CA ASN A 43 -4.667 -1.980 -8.021 1.00 10.00 C ATOM 655 C ASN A 43 -4.043 -0.635 -8.372 1.00 10.00 C ATOM 656 O ASN A 43 -2.981 -0.576 -8.993 1.00 50.00 O ATOM 657 CB ASN A 43 -5.856 -2.258 -8.923 1.00 50.00 C ATOM 658 CG ASN A 43 -6.250 -3.708 -8.974 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.429 -4.604 -8.747 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.481 -3.946 -9.350 1.00 50.00 N ATOM 0 H ASN A 43 -6.046 -2.129 -6.448 1.00 10.00 H new ATOM 0 HA ASN A 43 -3.923 -2.759 -8.187 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.707 -1.671 -8.578 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.623 -1.918 -9.932 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.801 -4.907 -9.468 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -8.120 -3.170 -9.525 1.00 50.00 H new ATOM 667 N ASP A 44 -4.709 0.442 -7.973 1.00 10.00 N ATOM 668 CA ASP A 44 -4.179 1.786 -8.168 1.00 10.00 C ATOM 669 C ASP A 44 -2.804 1.935 -7.530 1.00 10.00 C ATOM 670 O ASP A 44 -1.878 2.469 -8.141 1.00 50.00 O ATOM 671 CB ASP A 44 -5.138 2.830 -7.595 1.00 50.00 C ATOM 672 CG ASP A 44 -6.409 3.033 -8.411 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.458 2.561 -9.522 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.372 3.517 -7.865 1.00 50.00 O ATOM 0 H ASP A 44 -5.618 0.411 -7.512 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.077 1.949 -9.241 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.414 2.535 -6.583 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.614 3.783 -7.518 1.00 50.00 H new ATOM 679 N ILE A 45 -2.675 1.456 -6.296 1.00 10.00 N ATOM 680 CA ILE A 45 -1.418 1.554 -5.564 1.00 10.00 C ATOM 681 C ILE A 45 -0.306 0.792 -6.274 1.00 10.00 C ATOM 682 O ILE A 45 0.814 1.286 -6.404 1.00 50.00 O ATOM 683 CB ILE A 45 -1.558 1.018 -4.128 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.484 1.920 -3.308 1.00 50.00 C ATOM 685 CG2 ILE A 45 -0.192 0.910 -3.465 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.923 1.314 -1.995 1.00 50.00 C ATOM 0 H ILE A 45 -3.427 0.996 -5.782 1.00 10.00 H new ATOM 0 HA ILE A 45 -1.160 2.612 -5.523 1.00 10.00 H new ATOM 0 HB ILE A 45 -1.999 0.022 -4.172 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.974 2.863 -3.110 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -3.367 2.154 -3.902 1.00 50.00 H new ATOM 0 HG21 ILE A 45 -0.309 0.530 -2.450 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.438 0.229 -4.038 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.275 1.894 -3.432 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -3.576 2.013 -1.472 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -3.462 0.386 -2.185 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -2.048 1.106 -1.380 1.00 50.00 H new ATOM 698 N LEU A 46 -0.623 -0.413 -6.734 1.00 10.00 N ATOM 699 CA LEU A 46 0.319 -1.205 -7.516 1.00 10.00 C ATOM 700 C LEU A 46 0.745 -0.467 -8.778 1.00 10.00 C ATOM 701 O LEU A 46 1.900 -0.548 -9.196 1.00 50.00 O ATOM 702 CB LEU A 46 -0.302 -2.561 -7.877 1.00 50.00 C ATOM 703 CG LEU A 46 -0.420 -3.555 -6.714 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.247 -4.760 -7.140 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.971 -3.985 -6.269 1.00 50.00 C ATOM 0 H LEU A 46 -1.525 -0.863 -6.579 1.00 10.00 H new ATOM 0 HA LEU A 46 1.208 -1.371 -6.908 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.296 -2.389 -8.290 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.296 -3.018 -8.666 1.00 50.00 H new ATOM 0 HG LEU A 46 -0.924 -3.075 -5.875 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.325 -5.460 -6.308 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.244 -4.432 -7.433 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.764 -5.252 -7.984 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.887 -4.691 -5.443 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.488 -4.461 -7.102 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.535 -3.111 -5.943 1.00 50.00 H new ATOM 717 N LYS A 47 -0.193 0.256 -9.381 1.00 10.00 N ATOM 718 CA LYS A 47 0.070 0.967 -10.626 1.00 10.00 C ATOM 719 C LYS A 47 0.955 2.185 -10.386 1.00 10.00 C ATOM 720 O LYS A 47 1.602 2.685 -11.306 1.00 50.00 O ATOM 721 CB LYS A 47 -1.242 1.393 -11.287 1.00 50.00 C ATOM 722 CG LYS A 47 -2.035 0.249 -11.904 1.00 50.00 C ATOM 723 CD LYS A 47 -3.368 0.733 -12.452 1.00 50.00 C ATOM 724 CE LYS A 47 -4.162 -0.410 -13.068 1.00 50.00 C ATOM 725 NZ LYS A 47 -5.453 0.055 -13.643 1.00 50.00 N ATOM 0 H LYS A 47 -1.143 0.365 -9.027 1.00 10.00 H new ATOM 0 HA LYS A 47 0.598 0.287 -11.294 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.864 1.891 -10.544 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -1.023 2.127 -12.063 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.454 -0.208 -12.705 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -2.207 -0.523 -11.154 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.948 1.191 -11.651 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -3.196 1.505 -13.202 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.568 -0.885 -13.848 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -4.355 -1.168 -12.309 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.962 -0.754 -14.052 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -6.032 0.485 -12.894 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -5.269 0.759 -14.386 1.00 50.00 H new ATOM 739 N VAL A 48 0.978 2.658 -9.145 1.00 10.00 N ATOM 740 CA VAL A 48 1.890 3.723 -8.749 1.00 10.00 C ATOM 741 C VAL A 48 3.343 3.293 -8.910 1.00 10.00 C ATOM 742 O VAL A 48 3.788 2.329 -8.288 1.00 50.00 O ATOM 743 CB VAL A 48 1.654 4.157 -7.289 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.712 5.158 -6.852 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.263 4.751 -7.130 1.00 50.00 C ATOM 0 H VAL A 48 0.374 2.320 -8.395 1.00 10.00 H new ATOM 0 HA VAL A 48 1.688 4.568 -9.407 1.00 10.00 H new ATOM 0 HB VAL A 48 1.729 3.276 -6.651 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.529 5.453 -5.819 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.699 4.702 -6.930 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.667 6.038 -7.494 1.00 50.00 H new ATOM 0 HG21 VAL A 48 0.112 5.052 -6.093 1.00 50.00 H new ATOM 0 HG22 VAL A 48 0.162 5.621 -7.779 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.484 4.006 -7.403 1.00 50.00 H new ATOM 755 N GLU A 49 4.078 4.014 -9.750 1.00 10.00 N ATOM 756 CA GLU A 49 5.471 3.684 -10.026 1.00 10.00 C ATOM 757 C GLU A 49 6.304 3.702 -8.750 1.00 10.00 C ATOM 758 O GLU A 49 6.331 4.699 -8.029 1.00 50.00 O ATOM 759 CB GLU A 49 6.060 4.657 -11.050 1.00 50.00 C ATOM 760 CG GLU A 49 7.481 4.330 -11.483 1.00 50.00 C ATOM 761 CD GLU A 49 7.974 5.302 -12.519 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.211 6.144 -12.927 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.143 5.274 -12.823 1.00 50.00 O ATOM 0 H GLU A 49 3.731 4.832 -10.252 1.00 10.00 H new ATOM 0 HA GLU A 49 5.499 2.675 -10.439 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.419 4.670 -11.931 1.00 50.00 H new ATOM 0 HB3 GLU A 49 6.044 5.662 -10.629 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.142 4.353 -10.616 1.00 50.00 H new ATOM 0 HG3 GLU A 49 7.517 3.317 -11.885 1.00 50.00 H new ATOM 770 N GLY A 50 6.981 2.593 -8.476 1.00 10.00 N ATOM 771 CA GLY A 50 7.889 2.510 -7.340 1.00 10.00 C ATOM 772 C GLY A 50 7.447 1.432 -6.359 1.00 10.00 C ATOM 773 O GLY A 50 8.269 0.842 -5.657 1.00 50.00 O ATOM 0 H GLY A 50 6.917 1.737 -9.027 1.00 10.00 H new ATOM 0 HA2 GLY A 50 8.897 2.293 -7.692 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.929 3.473 -6.832 1.00 10.00 H new ATOM 777 N VAL A 51 6.143 1.178 -6.314 1.00 10.00 N ATOM 778 CA VAL A 51 5.589 0.168 -5.420 1.00 10.00 C ATOM 779 C VAL A 51 6.012 -1.232 -5.842 1.00 10.00 C ATOM 780 O VAL A 51 5.827 -1.627 -6.993 1.00 50.00 O ATOM 781 CB VAL A 51 4.051 0.238 -5.374 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.491 -0.900 -4.534 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.594 1.580 -4.823 1.00 50.00 C ATOM 0 H VAL A 51 5.450 1.659 -6.887 1.00 10.00 H new ATOM 0 HA VAL A 51 5.983 0.378 -4.426 1.00 10.00 H new ATOM 0 HB VAL A 51 3.672 0.136 -6.391 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.403 -0.835 -4.512 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.789 -1.854 -4.969 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.879 -0.827 -3.518 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.505 1.611 -4.798 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.984 1.711 -3.814 1.00 50.00 H new ATOM 0 HG23 VAL A 51 3.965 2.381 -5.462 1.00 50.00 H new ATOM 793 N LYS A 52 6.581 -1.981 -4.902 1.00 10.00 N ATOM 794 CA LYS A 52 7.140 -3.293 -5.203 1.00 10.00 C ATOM 795 C LYS A 52 6.133 -4.399 -4.917 1.00 10.00 C ATOM 796 O LYS A 52 5.761 -5.159 -5.811 1.00 50.00 O ATOM 797 CB LYS A 52 8.421 -3.526 -4.399 1.00 50.00 C ATOM 798 CG LYS A 52 9.095 -4.866 -4.666 1.00 50.00 C ATOM 799 CD LYS A 52 10.366 -5.018 -3.843 1.00 50.00 C ATOM 800 CE LYS A 52 11.046 -6.352 -4.117 1.00 50.00 C ATOM 801 NZ LYS A 52 12.318 -6.494 -3.358 1.00 50.00 N ATOM 0 H LYS A 52 6.667 -1.701 -3.925 1.00 10.00 H new ATOM 0 HA LYS A 52 7.380 -3.318 -6.266 1.00 10.00 H new ATOM 0 HB2 LYS A 52 9.127 -2.727 -4.623 1.00 50.00 H new ATOM 0 HB3 LYS A 52 8.187 -3.456 -3.337 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.406 -5.676 -4.428 1.00 50.00 H new ATOM 0 HG3 LYS A 52 9.333 -4.951 -5.726 1.00 50.00 H new ATOM 0 HD2 LYS A 52 11.052 -4.203 -4.075 1.00 50.00 H new ATOM 0 HD3 LYS A 52 10.127 -4.940 -2.782 1.00 50.00 H new ATOM 0 HE2 LYS A 52 10.371 -7.165 -3.849 1.00 50.00 H new ATOM 0 HE3 LYS A 52 11.248 -6.444 -5.184 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.749 -7.416 -3.573 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.972 -5.733 -3.632 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 12.123 -6.432 -2.338 1.00 50.00 H new ATOM 815 N SER A 53 5.695 -4.484 -3.666 1.00 10.00 N ATOM 816 CA SER A 53 4.760 -5.524 -3.251 1.00 10.00 C ATOM 817 C SER A 53 3.904 -5.059 -2.078 1.00 10.00 C ATOM 818 O SER A 53 4.329 -4.223 -1.280 1.00 50.00 O ATOM 819 CB SER A 53 5.513 -6.787 -2.885 1.00 50.00 C ATOM 820 OG SER A 53 6.292 -6.622 -1.732 1.00 50.00 O ATOM 0 H SER A 53 5.972 -3.845 -2.921 1.00 10.00 H new ATOM 0 HA SER A 53 4.095 -5.737 -4.088 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.803 -7.599 -2.729 1.00 50.00 H new ATOM 0 HB3 SER A 53 6.154 -7.080 -3.716 1.00 50.00 H new ATOM 0 HG SER A 53 6.798 -5.786 -1.796 1.00 50.00 H new ATOM 826 N ILE A 54 2.696 -5.602 -1.982 1.00 10.00 N ATOM 827 CA ILE A 54 1.773 -5.233 -0.917 1.00 10.00 C ATOM 828 C ILE A 54 1.292 -6.459 -0.154 1.00 10.00 C ATOM 829 O ILE A 54 1.016 -7.503 -0.746 1.00 50.00 O ATOM 830 CB ILE A 54 0.553 -4.471 -1.467 1.00 50.00 C ATOM 831 CG1 ILE A 54 1.002 -3.226 -2.235 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.391 -4.092 -0.336 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.102 -2.566 -3.029 1.00 50.00 C ATOM 0 H ILE A 54 2.333 -6.301 -2.630 1.00 10.00 H new ATOM 0 HA ILE A 54 2.322 -4.581 -0.238 1.00 10.00 H new ATOM 0 HB ILE A 54 0.018 -5.125 -2.156 1.00 50.00 H new ATOM 0 HG12 ILE A 54 1.411 -2.503 -1.529 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.810 -3.501 -2.913 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.248 -3.554 -0.742 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -0.735 -4.995 0.169 1.00 50.00 H new ATOM 0 HG23 ILE A 54 0.133 -3.455 0.377 1.00 50.00 H new ATOM 0 HD11 ILE A 54 0.294 -1.691 -3.545 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.496 -3.272 -3.760 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -0.901 -2.258 -2.355 1.00 50.00 H new ATOM 845 N PHE A 55 1.195 -6.329 1.165 1.00 10.00 N ATOM 846 CA PHE A 55 0.625 -7.380 1.999 1.00 10.00 C ATOM 847 C PHE A 55 -0.523 -6.851 2.848 1.00 10.00 C ATOM 848 O PHE A 55 -0.351 -5.910 3.622 1.00 50.00 O ATOM 849 CB PHE A 55 1.702 -7.993 2.895 1.00 50.00 C ATOM 850 CG PHE A 55 1.197 -9.091 3.786 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.722 -10.277 3.248 1.00 50.00 C ATOM 852 CD2 PHE A 55 1.196 -8.941 5.165 1.00 50.00 C ATOM 853 CE1 PHE A 55 0.256 -11.289 4.067 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.732 -9.950 5.986 1.00 50.00 C ATOM 855 CZ PHE A 55 0.262 -11.126 5.436 1.00 50.00 C ATOM 0 H PHE A 55 1.504 -5.505 1.680 1.00 10.00 H new ATOM 0 HA PHE A 55 0.230 -8.152 1.338 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.502 -8.386 2.268 1.00 50.00 H new ATOM 0 HB3 PHE A 55 2.137 -7.208 3.513 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.716 -10.412 2.177 1.00 50.00 H new ATOM 0 HD2 PHE A 55 1.563 -8.024 5.602 1.00 50.00 H new ATOM 0 HE1 PHE A 55 -0.113 -12.207 3.634 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.737 -9.819 7.058 1.00 50.00 H new ATOM 0 HZ PHE A 55 -0.100 -11.916 6.077 1.00 50.00 H new ATOM 865 N HIS A 56 -1.694 -7.459 2.696 1.00 10.00 N ATOM 866 CA HIS A 56 -2.892 -6.997 3.386 1.00 10.00 C ATOM 867 C HIS A 56 -3.395 -8.038 4.378 1.00 10.00 C ATOM 868 O HIS A 56 -3.860 -9.108 3.987 1.00 50.00 O ATOM 869 CB HIS A 56 -3.998 -6.656 2.380 1.00 50.00 C ATOM 870 CG HIS A 56 -5.269 -6.191 3.019 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.452 -6.071 2.322 1.00 50.00 N ATOM 872 CD2 HIS A 56 -5.542 -5.814 4.291 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.400 -5.642 3.136 1.00 50.00 C ATOM 874 NE2 HIS A 56 -6.874 -5.478 4.336 1.00 50.00 N ATOM 0 H HIS A 56 -1.839 -8.274 2.100 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.626 -6.096 3.940 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -3.636 -5.881 1.705 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.208 -7.536 1.772 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -4.844 -5.783 5.115 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -8.429 -5.457 2.866 1.00 50.00 H new ATOM 0 HE2 HIS A 56 -7.375 -5.154 5.163 1.00 50.00 H new ATOM 882 N VAL A 57 -3.296 -7.717 5.664 1.00 10.00 N ATOM 883 CA VAL A 57 -3.754 -8.619 6.714 1.00 10.00 C ATOM 884 C VAL A 57 -4.590 -7.878 7.750 1.00 10.00 C ATOM 885 O VAL A 57 -4.225 -6.787 8.192 1.00 50.00 O ATOM 886 CB VAL A 57 -2.572 -9.310 7.421 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.656 -8.277 8.058 1.00 50.00 C ATOM 888 CG2 VAL A 57 -3.080 -10.290 8.470 1.00 50.00 C ATOM 0 H VAL A 57 -2.903 -6.839 6.004 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.369 -9.378 6.230 1.00 10.00 H new ATOM 0 HB VAL A 57 -2.001 -9.865 6.677 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -0.827 -8.782 8.553 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.267 -7.611 7.288 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.216 -7.696 8.791 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -2.233 -10.770 8.960 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -3.673 -9.754 9.212 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -3.699 -11.048 7.990 1.00 50.00 H new ATOM 898 N MET A 58 -5.713 -8.474 8.134 1.00 10.00 N ATOM 899 CA MET A 58 -6.640 -7.837 9.063 1.00 10.00 C ATOM 900 C MET A 58 -7.107 -6.487 8.538 1.00 10.00 C ATOM 901 O MET A 58 -7.653 -6.392 7.439 1.00 50.00 O ATOM 902 CB MET A 58 -5.984 -7.675 10.434 1.00 50.00 C ATOM 903 CG MET A 58 -5.727 -8.982 11.169 1.00 50.00 C ATOM 904 SD MET A 58 -4.736 -8.758 12.660 1.00 75.00 S ATOM 905 CE MET A 58 -5.889 -7.871 13.703 1.00 75.00 C ATOM 0 H MET A 58 -6.004 -9.398 7.816 1.00 10.00 H new ATOM 0 HA MET A 58 -7.515 -8.479 9.161 1.00 10.00 H new ATOM 0 HB2 MET A 58 -5.037 -7.150 10.310 1.00 50.00 H new ATOM 0 HB3 MET A 58 -6.619 -7.043 11.054 1.00 50.00 H new ATOM 0 HG2 MET A 58 -6.681 -9.438 11.436 1.00 50.00 H new ATOM 0 HG3 MET A 58 -5.218 -9.676 10.500 1.00 50.00 H new ATOM 0 HE1 MET A 58 -5.485 -7.799 14.713 1.00 75.00 H new ATOM 0 HE2 MET A 58 -6.046 -6.869 13.302 1.00 75.00 H new ATOM 0 HE3 MET A 58 -6.839 -8.404 13.730 1.00 75.00 H new ATOM 915 N ASP A 59 -6.887 -5.441 9.328 1.00 10.00 N ATOM 916 CA ASP A 59 -7.432 -4.123 9.026 1.00 10.00 C ATOM 917 C ASP A 59 -6.322 -3.117 8.757 1.00 10.00 C ATOM 918 O ASP A 59 -6.492 -1.917 8.976 1.00 50.00 O ATOM 919 CB ASP A 59 -8.320 -3.634 10.173 1.00 50.00 C ATOM 920 CG ASP A 59 -7.595 -3.470 11.503 1.00 50.00 C ATOM 921 OD1 ASP A 59 -6.444 -3.829 11.578 1.00 75.00 O ATOM 922 OD2 ASP A 59 -8.143 -2.848 12.382 1.00 50.00 O ATOM 0 H ASP A 59 -6.334 -5.481 10.184 1.00 10.00 H new ATOM 0 HA ASP A 59 -8.037 -4.211 8.124 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -8.761 -2.677 9.893 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -9.142 -4.337 10.305 1.00 50.00 H new ATOM 927 N PHE A 60 -5.184 -3.611 8.280 1.00 10.00 N ATOM 928 CA PHE A 60 -4.063 -2.748 7.929 1.00 10.00 C ATOM 929 C PHE A 60 -3.276 -3.320 6.755 1.00 10.00 C ATOM 930 O PHE A 60 -3.290 -4.528 6.516 1.00 50.00 O ATOM 931 CB PHE A 60 -3.142 -2.549 9.133 1.00 50.00 C ATOM 932 CG PHE A 60 -2.484 -3.814 9.608 1.00 50.00 C ATOM 933 CD1 PHE A 60 -3.116 -4.639 10.526 1.00 50.00 C ATOM 934 CD2 PHE A 60 -1.232 -4.181 9.137 1.00 50.00 C ATOM 935 CE1 PHE A 60 -2.511 -5.802 10.965 1.00 50.00 C ATOM 936 CE2 PHE A 60 -0.626 -5.344 9.573 1.00 50.00 C ATOM 937 CZ PHE A 60 -1.264 -6.154 10.487 1.00 50.00 C ATOM 0 H PHE A 60 -5.014 -4.605 8.128 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.467 -1.781 7.630 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.370 -1.825 8.873 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.718 -2.120 9.953 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -4.092 -4.370 10.902 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -0.725 -3.551 8.421 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -3.013 -6.435 11.681 1.00 50.00 H new ATOM 0 HE2 PHE A 60 0.349 -5.618 9.197 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.790 -7.062 10.829 1.00 50.00 H new ATOM 947 N ILE A 61 -2.589 -2.446 6.027 1.00 10.00 N ATOM 948 CA ILE A 61 -1.898 -2.841 4.806 1.00 10.00 C ATOM 949 C ILE A 61 -0.429 -2.440 4.850 1.00 10.00 C ATOM 950 O ILE A 61 -0.098 -1.292 5.150 1.00 50.00 O ATOM 951 CB ILE A 61 -2.552 -2.221 3.559 1.00 50.00 C ATOM 952 CG1 ILE A 61 -3.997 -2.709 3.416 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.748 -2.557 2.313 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.767 -2.020 2.313 1.00 50.00 C ATOM 0 H ILE A 61 -2.496 -1.458 6.262 1.00 10.00 H new ATOM 0 HA ILE A 61 -1.973 -3.926 4.741 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.564 -1.137 3.677 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -3.991 -3.782 3.227 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.518 -2.555 4.361 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -2.225 -2.110 1.441 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.737 -2.163 2.415 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.705 -3.639 2.189 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.781 -2.418 2.273 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.806 -0.949 2.511 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.271 -2.195 1.359 1.00 50.00 H new ATOM 966 N SER A 62 0.449 -3.391 4.551 1.00 10.00 N ATOM 967 CA SER A 62 1.880 -3.120 4.486 1.00 10.00 C ATOM 968 C SER A 62 2.342 -2.947 3.044 1.00 10.00 C ATOM 969 O SER A 62 2.213 -3.858 2.227 1.00 50.00 O ATOM 970 CB SER A 62 2.654 -4.237 5.158 1.00 50.00 C ATOM 971 OG SER A 62 4.040 -4.061 5.043 1.00 50.00 O ATOM 0 H SER A 62 0.194 -4.358 4.350 1.00 10.00 H new ATOM 0 HA SER A 62 2.074 -2.187 5.015 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.381 -4.283 6.212 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.372 -5.191 4.713 1.00 50.00 H new ATOM 0 HG SER A 62 4.502 -4.801 5.490 1.00 50.00 H new ATOM 977 N VAL A 63 2.882 -1.772 2.738 1.00 10.00 N ATOM 978 CA VAL A 63 3.335 -1.466 1.387 1.00 10.00 C ATOM 979 C VAL A 63 4.831 -1.191 1.357 1.00 10.00 C ATOM 980 O VAL A 63 5.337 -0.367 2.118 1.00 50.00 O ATOM 981 CB VAL A 63 2.588 -0.252 0.804 1.00 50.00 C ATOM 982 CG1 VAL A 63 3.093 0.060 -0.597 1.00 50.00 C ATOM 983 CG2 VAL A 63 1.090 -0.508 0.781 1.00 50.00 C ATOM 0 H VAL A 63 3.016 -1.015 3.409 1.00 10.00 H new ATOM 0 HA VAL A 63 3.119 -2.343 0.776 1.00 10.00 H new ATOM 0 HB VAL A 63 2.781 0.610 1.443 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.555 0.920 -0.995 1.00 50.00 H new ATOM 0 HG12 VAL A 63 4.159 0.285 -0.558 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.928 -0.802 -1.244 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.579 0.361 0.366 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.880 -1.382 0.164 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.736 -0.687 1.796 1.00 50.00 H new ATOM 993 N ASP A 64 5.538 -1.887 0.471 1.00 10.00 N ATOM 994 CA ASP A 64 6.981 -1.724 0.346 1.00 10.00 C ATOM 995 C ASP A 64 7.379 -1.422 -1.093 1.00 10.00 C ATOM 996 O ASP A 64 6.748 -1.901 -2.035 1.00 50.00 O ATOM 997 CB ASP A 64 7.707 -2.980 0.839 1.00 50.00 C ATOM 998 CG ASP A 64 7.383 -4.243 0.053 1.00 50.00 C ATOM 999 OD1 ASP A 64 7.685 -4.285 -1.116 1.00 50.00 O ATOM 1000 OD2 ASP A 64 6.984 -5.208 0.659 1.00 50.00 O ATOM 0 H ASP A 64 5.134 -2.569 -0.171 1.00 10.00 H new ATOM 0 HA ASP A 64 7.275 -0.877 0.966 1.00 10.00 H new ATOM 0 HB2 ASP A 64 8.782 -2.805 0.794 1.00 50.00 H new ATOM 0 HB3 ASP A 64 7.454 -3.144 1.887 1.00 50.00 H new ATOM 1005 N LYS A 65 8.428 -0.624 -1.255 1.00 10.00 N ATOM 1006 CA LYS A 65 8.792 -0.096 -2.565 1.00 10.00 C ATOM 1007 C LYS A 65 10.082 -0.725 -3.075 1.00 10.00 C ATOM 1008 O LYS A 65 10.683 -1.563 -2.401 1.00 50.00 O ATOM 1009 CB LYS A 65 8.937 1.425 -2.507 1.00 50.00 C ATOM 1010 CG LYS A 65 10.097 1.914 -1.648 1.00 50.00 C ATOM 1011 CD LYS A 65 10.235 3.428 -1.717 1.00 50.00 C ATOM 1012 CE LYS A 65 11.261 3.936 -0.714 1.00 50.00 C ATOM 1013 NZ LYS A 65 12.650 3.570 -1.105 1.00 50.00 N ATOM 0 H LYS A 65 9.042 -0.328 -0.496 1.00 10.00 H new ATOM 0 HA LYS A 65 7.992 -0.350 -3.260 1.00 10.00 H new ATOM 0 HB2 LYS A 65 9.066 1.804 -3.521 1.00 50.00 H new ATOM 0 HB3 LYS A 65 8.011 1.852 -2.122 1.00 50.00 H new ATOM 0 HG2 LYS A 65 9.941 1.607 -0.614 1.00 50.00 H new ATOM 0 HG3 LYS A 65 11.023 1.446 -1.983 1.00 50.00 H new ATOM 0 HD2 LYS A 65 10.531 3.723 -2.724 1.00 50.00 H new ATOM 0 HD3 LYS A 65 9.269 3.893 -1.519 1.00 50.00 H new ATOM 0 HE2 LYS A 65 11.181 5.020 -0.631 1.00 50.00 H new ATOM 0 HE3 LYS A 65 11.041 3.524 0.271 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 13.293 4.354 -0.876 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.944 2.718 -0.585 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 12.685 3.381 -2.127 1.00 50.00 H new ATOM 1027 N GLU A 66 10.503 -0.316 -4.267 1.00 10.00 N ATOM 1028 CA GLU A 66 11.796 -0.723 -4.804 1.00 10.00 C ATOM 1029 C GLU A 66 12.916 0.165 -4.277 1.00 10.00 C ATOM 1030 O GLU A 66 12.666 1.257 -3.767 1.00 50.00 O ATOM 1031 CB GLU A 66 11.775 -0.694 -6.332 1.00 50.00 C ATOM 1032 CG GLU A 66 10.810 -1.687 -6.967 1.00 50.00 C ATOM 1033 CD GLU A 66 10.900 -1.652 -8.468 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.602 -0.815 -8.983 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.358 -2.531 -9.095 1.00 50.00 O ATOM 0 H GLU A 66 9.967 0.298 -4.880 1.00 10.00 H new ATOM 0 HA GLU A 66 11.988 -1.744 -4.473 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.511 0.311 -6.661 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.780 -0.896 -6.701 1.00 50.00 H new ATOM 0 HG2 GLU A 66 11.033 -2.693 -6.610 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.791 -1.457 -6.656 1.00 50.00 H new ATOM 1042 N ASN A 67 14.151 -0.308 -4.406 1.00 10.00 N ATOM 1043 CA ASN A 67 15.305 0.408 -3.875 1.00 10.00 C ATOM 1044 C ASN A 67 15.497 1.744 -4.582 1.00 10.00 C ATOM 1045 O ASN A 67 15.836 2.746 -3.953 1.00 50.00 O ATOM 1046 CB ASN A 67 16.569 -0.424 -3.976 1.00 50.00 C ATOM 1047 CG ASN A 67 16.624 -1.563 -2.995 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.929 -1.561 -1.973 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.506 -2.492 -3.259 1.00 50.00 N ATOM 0 H ASN A 67 14.379 -1.185 -4.874 1.00 10.00 H new ATOM 0 HA ASN A 67 15.107 0.600 -2.820 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.651 -0.823 -4.987 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.432 0.222 -3.817 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.646 -3.263 -2.606 1.00 50.00 H new ATOM 0 HD22 ASN A 67 18.054 -2.446 -4.118 1.00 50.00 H new ATOM 1056 N ASP A 68 15.277 1.751 -5.892 1.00 10.00 N ATOM 1057 CA ASP A 68 15.431 2.963 -6.687 1.00 10.00 C ATOM 1058 C ASP A 68 14.346 3.980 -6.359 1.00 10.00 C ATOM 1059 O ASP A 68 14.610 5.179 -6.275 1.00 50.00 O ATOM 1060 CB ASP A 68 15.405 2.632 -8.182 1.00 50.00 C ATOM 1061 CG ASP A 68 16.660 1.935 -8.694 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.636 1.916 -7.984 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.584 1.297 -9.716 1.00 50.00 O ATOM 0 H ASP A 68 14.991 0.930 -6.426 1.00 10.00 H new ATOM 0 HA ASP A 68 16.397 3.402 -6.438 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.543 1.997 -8.386 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.262 3.555 -8.744 1.00 50.00 H new ATOM 1068 N ALA A 69 13.123 3.494 -6.172 1.00 10.00 N ATOM 1069 CA ALA A 69 11.985 4.364 -5.909 1.00 10.00 C ATOM 1070 C ALA A 69 12.141 5.092 -4.581 1.00 10.00 C ATOM 1071 O ALA A 69 12.929 4.682 -3.727 1.00 50.00 O ATOM 1072 CB ALA A 69 10.689 3.565 -5.929 1.00 50.00 C ATOM 0 H ALA A 69 12.896 2.500 -6.198 1.00 10.00 H new ATOM 0 HA ALA A 69 11.947 5.114 -6.699 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.848 4.230 -5.731 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.562 3.102 -6.907 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.727 2.790 -5.163 1.00 50.00 H new ATOM 1078 N ASN A 70 11.389 6.173 -4.409 1.00 10.00 N ATOM 1079 CA ASN A 70 11.354 6.892 -3.142 1.00 10.00 C ATOM 1080 C ASN A 70 9.925 7.081 -2.654 1.00 10.00 C ATOM 1081 O ASN A 70 8.987 7.126 -3.450 1.00 50.00 O ATOM 1082 CB ASN A 70 12.054 8.234 -3.246 1.00 50.00 C ATOM 1083 CG ASN A 70 13.523 8.129 -3.554 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.327 7.715 -2.711 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.887 8.578 -4.728 1.00 50.00 N ATOM 0 H ASN A 70 10.793 6.572 -5.135 1.00 10.00 H new ATOM 0 HA ASN A 70 11.890 6.284 -2.413 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.571 8.826 -4.023 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.926 8.774 -2.308 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.874 8.597 -4.983 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.183 8.909 -5.388 1.00 50.00 H new ATOM 1092 N TRP A 71 9.763 7.190 -1.338 1.00 10.00 N ATOM 1093 CA TRP A 71 8.454 7.438 -0.746 1.00 10.00 C ATOM 1094 C TRP A 71 7.971 8.849 -1.048 1.00 10.00 C ATOM 1095 O TRP A 71 6.775 9.134 -0.986 1.00 50.00 O ATOM 1096 CB TRP A 71 8.503 7.212 0.765 1.00 50.00 C ATOM 1097 CG TRP A 71 8.548 5.764 1.154 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.525 5.143 1.871 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.572 4.761 0.846 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.221 3.813 2.029 1.00 50.00 N ATOM 1101 CE2 TRP A 71 8.025 3.554 1.409 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.358 4.767 0.150 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.314 2.370 1.298 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.645 3.579 0.039 1.00 50.00 C ATOM 1105 CH2 TRP A 71 6.110 2.416 0.597 1.00 50.00 C ATOM 0 H TRP A 71 10.523 7.110 -0.662 1.00 10.00 H new ATOM 0 HA TRP A 71 7.748 6.736 -1.189 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.380 7.716 1.171 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.629 7.675 1.222 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.410 5.626 2.259 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.792 3.129 2.526 1.00 50.00 H new ATOM 0 HE3 TRP A 71 5.982 5.678 -0.293 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.677 1.452 1.735 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.707 3.572 -0.497 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.528 1.512 0.491 1.00 50.00 H new ATOM 1116 N GLU A 72 8.909 9.733 -1.374 1.00 10.00 N ATOM 1117 CA GLU A 72 8.575 11.107 -1.734 1.00 10.00 C ATOM 1118 C GLU A 72 7.591 11.147 -2.897 1.00 10.00 C ATOM 1119 O GLU A 72 6.694 11.990 -2.935 1.00 50.00 O ATOM 1120 CB GLU A 72 9.841 11.891 -2.088 1.00 50.00 C ATOM 1121 CG GLU A 72 10.744 12.196 -0.902 1.00 50.00 C ATOM 1122 CD GLU A 72 12.010 12.878 -1.340 1.00 50.00 C ATOM 1123 OE1 GLU A 72 12.195 13.042 -2.522 1.00 50.00 O ATOM 1124 OE2 GLU A 72 12.739 13.335 -0.493 1.00 75.00 O ATOM 0 H GLU A 72 9.907 9.522 -1.396 1.00 10.00 H new ATOM 0 HA GLU A 72 8.101 11.573 -0.870 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.410 11.325 -2.826 1.00 50.00 H new ATOM 0 HB3 GLU A 72 9.552 12.830 -2.560 1.00 50.00 H new ATOM 0 HG2 GLU A 72 10.213 12.831 -0.192 1.00 50.00 H new ATOM 0 HG3 GLU A 72 10.989 11.270 -0.381 1.00 50.00 H new ATOM 1131 N THR A 73 7.765 10.233 -3.845 1.00 10.00 N ATOM 1132 CA THR A 73 6.835 10.098 -4.959 1.00 10.00 C ATOM 1133 C THR A 73 5.670 9.185 -4.597 1.00 10.00 C ATOM 1134 O THR A 73 4.508 9.539 -4.790 1.00 50.00 O ATOM 1135 CB THR A 73 7.535 9.548 -6.216 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.567 10.454 -6.625 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.536 9.376 -7.351 1.00 50.00 C ATOM 0 H THR A 73 8.543 9.574 -3.864 1.00 10.00 H new ATOM 0 HA THR A 73 6.456 11.097 -5.174 1.00 10.00 H new ATOM 0 HB THR A 73 7.968 8.577 -5.977 1.00 50.00 H new ATOM 0 HG1 THR A 73 9.013 10.103 -7.424 1.00 50.00 H new ATOM 0 HG21 THR A 73 7.048 8.987 -8.231 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.756 8.678 -7.047 1.00 50.00 H new ATOM 0 HG23 THR A 73 6.087 10.340 -7.590 1.00 50.00 H new ATOM 1145 N VAL A 74 5.991 8.006 -4.074 1.00 10.00 N ATOM 1146 CA VAL A 74 5.008 6.937 -3.936 1.00 10.00 C ATOM 1147 C VAL A 74 3.958 7.285 -2.891 1.00 10.00 C ATOM 1148 O VAL A 74 2.757 7.182 -3.144 1.00 50.00 O ATOM 1149 CB VAL A 74 5.675 5.602 -3.555 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.621 4.554 -3.226 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.576 5.116 -4.680 1.00 50.00 C ATOM 0 H VAL A 74 6.924 7.767 -3.739 1.00 10.00 H new ATOM 0 HA VAL A 74 4.526 6.827 -4.907 1.00 10.00 H new ATOM 0 HB VAL A 74 6.288 5.764 -2.668 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.110 3.617 -2.959 1.00 50.00 H new ATOM 0 HG12 VAL A 74 4.015 4.898 -2.388 1.00 50.00 H new ATOM 0 HG13 VAL A 74 3.982 4.395 -4.095 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.039 4.172 -4.393 1.00 50.00 H new ATOM 0 HG22 VAL A 74 5.984 4.970 -5.583 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.352 5.857 -4.871 1.00 50.00 H new ATOM 1161 N LEU A 75 4.414 7.700 -1.715 1.00 10.00 N ATOM 1162 CA LEU A 75 3.574 7.708 -0.524 1.00 10.00 C ATOM 1163 C LEU A 75 2.389 8.651 -0.691 1.00 50.00 C ATOM 1164 O LEU A 75 1.251 8.293 -0.393 1.00 50.00 O ATOM 1165 CB LEU A 75 4.400 8.102 0.706 1.00 50.00 C ATOM 1166 CG LEU A 75 3.608 8.217 2.015 1.00 50.00 C ATOM 1167 CD1 LEU A 75 3.014 6.865 2.384 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.522 8.724 3.119 1.00 50.00 C ATOM 0 H LEU A 75 5.364 8.036 -1.561 1.00 10.00 H new ATOM 0 HA LEU A 75 3.184 6.701 -0.380 1.00 10.00 H new ATOM 0 HB2 LEU A 75 5.192 7.366 0.843 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.884 9.058 0.508 1.00 50.00 H new ATOM 0 HG LEU A 75 2.790 8.925 1.885 1.00 50.00 H new ATOM 0 HD11 LEU A 75 2.453 6.956 3.314 1.00 50.00 H new ATOM 0 HD12 LEU A 75 2.347 6.532 1.589 1.00 50.00 H new ATOM 0 HD13 LEU A 75 3.816 6.138 2.513 1.00 50.00 H new ATOM 0 HD21 LEU A 75 3.959 8.806 4.049 1.00 50.00 H new ATOM 0 HD22 LEU A 75 5.349 8.027 3.255 1.00 50.00 H new ATOM 0 HD23 LEU A 75 4.914 9.703 2.845 1.00 50.00 H new ATOM 1180 N PRO A 76 2.666 9.860 -1.173 1.00 50.00 N ATOM 1181 CA PRO A 76 1.618 10.839 -1.429 1.00 50.00 C ATOM 1182 C PRO A 76 0.474 10.225 -2.225 1.00 50.00 C ATOM 1183 O PRO A 76 -0.698 10.447 -1.918 1.00 50.00 O ATOM 1184 CB PRO A 76 2.328 11.953 -2.206 1.00 50.00 C ATOM 1185 CG PRO A 76 3.732 11.914 -1.707 1.00 50.00 C ATOM 1186 CD PRO A 76 4.043 10.457 -1.500 1.00 50.00 C ATOM 0 HA PRO A 76 1.156 11.212 -0.515 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.283 11.779 -3.281 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.867 12.923 -2.021 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.417 12.363 -2.426 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.834 12.473 -0.777 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.479 10.005 -2.391 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.753 10.306 -0.687 1.00 50.00 H new ATOM 1194 N LYS A 77 0.819 9.453 -3.250 1.00 50.00 N ATOM 1195 CA LYS A 77 -0.179 8.837 -4.117 1.00 50.00 C ATOM 1196 C LYS A 77 -0.938 7.737 -3.386 1.00 50.00 C ATOM 1197 O LYS A 77 -2.163 7.650 -3.478 1.00 50.00 O ATOM 1198 CB LYS A 77 0.480 8.272 -5.376 1.00 50.00 C ATOM 1199 CG LYS A 77 1.007 9.329 -6.337 1.00 50.00 C ATOM 1200 CD LYS A 77 1.685 8.693 -7.542 1.00 50.00 C ATOM 1201 CE LYS A 77 2.218 9.748 -8.499 1.00 50.00 C ATOM 1202 NZ LYS A 77 2.887 9.141 -9.682 1.00 50.00 N ATOM 0 H LYS A 77 1.784 9.239 -3.501 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.891 9.610 -4.407 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.305 7.624 -5.080 1.00 50.00 H new ATOM 0 HB3 LYS A 77 -0.243 7.648 -5.902 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.185 9.961 -6.672 1.00 50.00 H new ATOM 0 HG3 LYS A 77 1.715 9.975 -5.818 1.00 50.00 H new ATOM 0 HD2 LYS A 77 2.504 8.056 -7.207 1.00 50.00 H new ATOM 0 HD3 LYS A 77 0.975 8.051 -8.064 1.00 50.00 H new ATOM 0 HE2 LYS A 77 1.397 10.383 -8.833 1.00 50.00 H new ATOM 0 HE3 LYS A 77 2.924 10.391 -7.973 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 3.236 9.895 -10.308 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 3.687 8.556 -9.366 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.207 8.548 -10.199 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.205 6.901 -2.659 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.806 5.786 -1.936 1.00 50.00 C ATOM 1218 C VAL A 78 -1.895 6.268 -0.986 1.00 50.00 C ATOM 1219 O VAL A 78 -3.012 5.751 -0.993 1.00 50.00 O ATOM 1220 CB VAL A 78 0.248 4.998 -1.135 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.424 3.971 -0.236 1.00 50.00 C ATOM 1222 CG2 VAL A 78 1.233 4.320 -2.074 1.00 50.00 C ATOM 0 H VAL A 78 0.807 6.974 -2.555 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.247 5.128 -2.685 1.00 50.00 H new ATOM 0 HB VAL A 78 0.798 5.699 -0.507 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.336 3.424 0.322 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -1.091 4.478 0.461 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -0.999 3.274 -0.846 1.00 50.00 H new ATOM 0 HG21 VAL A 78 1.970 3.768 -1.491 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.698 3.631 -2.728 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.738 5.074 -2.678 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.563 7.262 -0.170 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.525 7.846 0.757 1.00 50.00 C ATOM 1234 C GLU A 79 -3.756 8.361 0.023 1.00 50.00 C ATOM 1235 O GLU A 79 -4.886 8.166 0.471 1.00 50.00 O ATOM 1236 CB GLU A 79 -1.878 8.978 1.558 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.781 9.595 2.616 1.00 50.00 C ATOM 1238 CD GLU A 79 -2.058 10.654 3.400 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -0.903 10.879 3.135 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.692 11.317 4.189 1.00 50.00 O ATOM 0 H GLU A 79 -0.634 7.681 -0.132 1.00 50.00 H new ATOM 0 HA GLU A 79 -2.842 7.062 1.445 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -0.979 8.596 2.042 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.561 9.760 0.868 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.660 10.029 2.139 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -3.136 8.818 3.292 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.531 9.021 -1.108 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.622 9.561 -1.910 1.00 50.00 C ATOM 1249 C ALA A 80 -5.598 8.464 -2.320 1.00 50.00 C ATOM 1250 O ALA A 80 -6.809 8.680 -2.352 1.00 50.00 O ATOM 1251 CB ALA A 80 -4.075 10.273 -3.138 1.00 50.00 C ATOM 0 H ALA A 80 -2.601 9.195 -1.490 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.165 10.283 -1.300 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -4.902 10.671 -3.727 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.426 11.091 -2.825 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.505 9.568 -3.743 1.00 50.00 H new ATOM 1257 N VAL A 81 -5.063 7.288 -2.631 1.00 50.00 N ATOM 1258 CA VAL A 81 -5.877 6.184 -3.120 1.00 50.00 C ATOM 1259 C VAL A 81 -7.030 5.885 -2.172 1.00 50.00 C ATOM 1260 O VAL A 81 -8.171 5.705 -2.602 1.00 50.00 O ATOM 1261 CB VAL A 81 -5.039 4.905 -3.311 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -5.943 3.707 -3.562 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.055 5.079 -4.457 1.00 50.00 C ATOM 0 H VAL A 81 -4.068 7.076 -2.553 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.277 6.494 -4.085 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.474 4.724 -2.396 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.334 2.813 -3.695 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.609 3.569 -2.710 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.534 3.880 -4.461 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.472 4.166 -4.577 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -4.601 5.285 -5.378 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.386 5.911 -4.239 1.00 50.00 H new ATOM 1273 N PHE A 82 -6.728 5.835 -0.879 1.00 50.00 N ATOM 1274 CA PHE A 82 -7.719 5.466 0.125 1.00 50.00 C ATOM 1275 C PHE A 82 -8.734 6.582 0.335 1.00 50.00 C ATOM 1276 O PHE A 82 -9.781 6.375 0.946 1.00 50.00 O ATOM 1277 CB PHE A 82 -7.035 5.123 1.449 1.00 50.00 C ATOM 1278 CG PHE A 82 -6.139 3.918 1.374 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -6.656 2.641 1.530 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -4.779 4.062 1.147 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -5.834 1.533 1.463 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -3.954 2.954 1.078 1.00 50.00 C ATOM 1283 CZ PHE A 82 -4.481 1.690 1.236 1.00 50.00 C ATOM 0 H PHE A 82 -5.804 6.046 -0.502 1.00 50.00 H new ATOM 0 HA PHE A 82 -8.251 4.587 -0.239 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -6.448 5.981 1.777 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -7.798 4.950 2.208 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -7.714 2.511 1.706 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -4.359 5.049 1.023 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -6.249 0.544 1.588 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -2.896 3.079 0.900 1.00 50.00 H new ATOM 0 HZ PHE A 82 -3.837 0.825 1.182 1.00 50.00 H new ATOM 1293 N GLU A 83 -8.418 7.766 -0.179 1.00 50.00 N ATOM 1294 CA GLU A 83 -9.311 8.913 -0.067 1.00 50.00 C ATOM 1295 C GLU A 83 -10.217 9.027 -1.287 1.00 50.00 C ATOM 1296 O GLU A 83 -10.966 9.993 -1.427 1.00 50.00 O ATOM 1297 CB GLU A 83 -8.508 10.202 0.113 1.00 50.00 C ATOM 1298 CG GLU A 83 -7.740 10.288 1.423 1.00 50.00 C ATOM 1299 CD GLU A 83 -7.000 11.590 1.540 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -7.107 12.395 0.646 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -6.418 11.829 2.572 1.00 75.00 O ATOM 0 H GLU A 83 -7.549 7.956 -0.678 1.00 50.00 H new ATOM 0 HA GLU A 83 -9.939 8.762 0.811 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.803 10.295 -0.714 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -9.188 11.051 0.049 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -8.431 10.184 2.259 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -7.035 9.460 1.488 1.00 50.00 H new