USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 780 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 23 MET CE :methyl -115:sc= -0.155 (180deg=-0.424) USER MOD Set 1.2: A 25 ASN : amide:sc= -0.0408 K(o=-0.2,f=-1.4) USER MOD Set 2.1: A 10 HIS : no HD1:sc= 0.898 K(o=2.1,f=-3.9!) USER MOD Set 2.2: A 12 SER OG : rot -115:sc= 1.21 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0315 (180deg=-0.0302) USER MOD Single : A 3 SER OG : rot 32:sc= 0.195 USER MOD Single : A 4 SER OG : rot 36:sc= 0.198 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.251 K(o=0.25,f=-0.84) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 48:sc= 0.164 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot 107:sc= 0.0857 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.217 F(o=-1.1,f=-0.22) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -155:sc= -0.129 (180deg=-1.57) USER MOD Single : A 30 HIS : no HE2:sc= 0.0489 K(o=0.049,f=-3.3!) USER MOD Single : A 33 THR OG1 : rot 65:sc= 0.236 USER MOD Single : A 36 SER OG : rot 40:sc= 0.146 USER MOD Single : A 39 SER OG : rot -80:sc= 1.03 USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0.795 (180deg=0.748) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -139:sc= 0.0725 USER MOD Single : A 52 MET CE :methyl -112:sc= -0.702 (180deg=-1.96) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -130:sc= -0.133 (180deg=-0.446) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0659 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.912 USER MOD Single : A 93 GLN : amide:sc= 0.134 K(o=0.13,f=-0.37) USER MOD Single : A 97 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0683) USER MOD Single : A 98 HIS : no HD1:sc= -0.0209 K(o=-0.021,f=-1.1) USER MOD Single : A 103 SER OG : rot 39:sc= 0.181 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.081 0.429 -73.521 1.00 0.00 N ATOM 2 CA MET A 1 -14.362 0.048 -72.285 1.00 0.00 C ATOM 3 C MET A 1 -14.030 1.301 -71.451 1.00 0.00 C ATOM 4 O MET A 1 -13.774 2.378 -72.008 1.00 0.00 O ATOM 5 CB MET A 1 -13.079 -0.765 -72.628 1.00 0.00 C ATOM 6 CG MET A 1 -12.031 -0.020 -73.476 1.00 0.00 C ATOM 7 SD MET A 1 -10.646 -1.082 -73.952 1.00 0.00 S ATOM 8 CE MET A 1 -9.579 0.058 -74.835 1.00 0.00 C ATOM 0 H1 MET A 1 -14.774 -0.183 -74.304 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.105 0.317 -73.376 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.870 1.421 -73.753 1.00 0.00 H new ATOM 0 HA MET A 1 -15.008 -0.592 -71.684 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.610 -1.081 -71.696 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.374 -1.670 -73.159 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.508 0.374 -74.373 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.654 0.834 -72.914 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.690 -0.469 -75.181 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.114 0.468 -75.691 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.283 0.869 -74.170 1.00 0.00 H new ATOM 20 N GLY A 2 -14.066 1.152 -70.115 1.00 0.00 N ATOM 21 CA GLY A 2 -13.732 2.247 -69.200 1.00 0.00 C ATOM 22 C GLY A 2 -14.054 1.930 -67.744 1.00 0.00 C ATOM 23 O GLY A 2 -14.436 2.828 -66.986 1.00 0.00 O ATOM 0 H GLY A 2 -14.324 0.282 -69.649 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -12.670 2.476 -69.289 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -14.277 3.142 -69.500 1.00 0.00 H new ATOM 27 N SER A 3 -13.887 0.655 -67.351 1.00 0.00 N ATOM 28 CA SER A 3 -14.100 0.202 -65.965 1.00 0.00 C ATOM 29 C SER A 3 -12.911 0.632 -65.084 1.00 0.00 C ATOM 30 O SER A 3 -11.758 0.301 -65.387 1.00 0.00 O ATOM 31 CB SER A 3 -14.267 -1.336 -65.925 1.00 0.00 C ATOM 32 OG SER A 3 -13.145 -2.009 -66.495 1.00 0.00 O ATOM 0 H SER A 3 -13.601 -0.091 -67.985 1.00 0.00 H new ATOM 0 HA SER A 3 -15.010 0.661 -65.579 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.398 -1.660 -64.893 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.171 -1.617 -66.465 1.00 0.00 H new ATOM 0 HG SER A 3 -12.334 -1.480 -66.342 1.00 0.00 H new ATOM 38 N SER A 4 -13.197 1.370 -64.005 1.00 0.00 N ATOM 39 CA SER A 4 -12.172 1.913 -63.107 1.00 0.00 C ATOM 40 C SER A 4 -12.731 2.001 -61.674 1.00 0.00 C ATOM 41 O SER A 4 -13.666 2.767 -61.400 1.00 0.00 O ATOM 42 CB SER A 4 -11.683 3.292 -63.628 1.00 0.00 C ATOM 43 OG SER A 4 -12.761 4.203 -63.811 1.00 0.00 O ATOM 0 H SER A 4 -14.150 1.608 -63.729 1.00 0.00 H new ATOM 0 HA SER A 4 -11.308 1.248 -63.087 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.967 3.714 -62.922 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.157 3.157 -64.573 1.00 0.00 H new ATOM 0 HG SER A 4 -13.429 4.064 -63.108 1.00 0.00 H new ATOM 49 N HIS A 5 -12.177 1.163 -60.780 1.00 0.00 N ATOM 50 CA HIS A 5 -12.564 1.089 -59.359 1.00 0.00 C ATOM 51 C HIS A 5 -11.303 1.104 -58.487 1.00 0.00 C ATOM 52 O HIS A 5 -10.309 0.460 -58.829 1.00 0.00 O ATOM 53 CB HIS A 5 -13.378 -0.202 -59.078 1.00 0.00 C ATOM 54 CG HIS A 5 -14.669 -0.298 -59.839 1.00 0.00 C ATOM 55 ND1 HIS A 5 -14.801 -1.008 -61.014 1.00 0.00 N ATOM 56 CD2 HIS A 5 -15.885 0.237 -59.591 1.00 0.00 C ATOM 57 CE1 HIS A 5 -16.036 -0.901 -61.454 1.00 0.00 C ATOM 58 NE2 HIS A 5 -16.714 -0.150 -60.610 1.00 0.00 N ATOM 0 H HIS A 5 -11.436 0.507 -61.028 1.00 0.00 H new ATOM 0 HA HIS A 5 -13.189 1.950 -59.121 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -12.761 -1.067 -59.322 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -13.594 -0.256 -58.011 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -16.153 0.855 -58.747 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -16.428 -1.352 -62.354 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -17.698 0.103 -60.701 1.00 0.00 H new ATOM 67 N ASP A 6 -11.363 1.825 -57.362 1.00 0.00 N ATOM 68 CA ASP A 6 -10.239 1.945 -56.405 1.00 0.00 C ATOM 69 C ASP A 6 -10.226 0.769 -55.406 1.00 0.00 C ATOM 70 O ASP A 6 -11.053 -0.149 -55.489 1.00 0.00 O ATOM 71 CB ASP A 6 -10.343 3.296 -55.646 1.00 0.00 C ATOM 72 CG ASP A 6 -11.585 3.371 -54.734 1.00 0.00 C ATOM 73 OD1 ASP A 6 -12.684 3.697 -55.231 1.00 0.00 O ATOM 74 OD2 ASP A 6 -11.470 3.092 -53.519 1.00 0.00 O ATOM 0 H ASP A 6 -12.193 2.347 -57.081 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.304 1.914 -56.965 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.446 3.440 -55.044 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.377 4.112 -56.368 1.00 0.00 H new ATOM 79 N HIS A 7 -9.277 0.826 -54.448 1.00 0.00 N ATOM 80 CA HIS A 7 -9.214 -0.117 -53.322 1.00 0.00 C ATOM 81 C HIS A 7 -8.544 0.558 -52.110 1.00 0.00 C ATOM 82 O HIS A 7 -7.512 1.220 -52.253 1.00 0.00 O ATOM 83 CB HIS A 7 -8.487 -1.435 -53.724 1.00 0.00 C ATOM 84 CG HIS A 7 -7.033 -1.298 -54.119 1.00 0.00 C ATOM 85 ND1 HIS A 7 -6.634 -0.872 -55.365 1.00 0.00 N ATOM 86 CD2 HIS A 7 -5.885 -1.567 -53.442 1.00 0.00 C ATOM 87 CE1 HIS A 7 -5.319 -0.890 -55.439 1.00 0.00 C ATOM 88 NE2 HIS A 7 -4.837 -1.308 -54.286 1.00 0.00 N ATOM 0 H HIS A 7 -8.536 1.527 -54.437 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.230 -0.394 -53.041 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.551 -2.131 -52.888 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -9.028 -1.885 -54.556 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.812 -1.921 -52.424 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.733 -0.609 -56.302 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -3.849 -1.420 -54.060 1.00 0.00 H new ATOM 97 N HIS A 8 -9.151 0.397 -50.919 1.00 0.00 N ATOM 98 CA HIS A 8 -8.608 0.944 -49.658 1.00 0.00 C ATOM 99 C HIS A 8 -8.891 -0.027 -48.495 1.00 0.00 C ATOM 100 O HIS A 8 -10.045 -0.367 -48.219 1.00 0.00 O ATOM 101 CB HIS A 8 -9.160 2.374 -49.373 1.00 0.00 C ATOM 102 CG HIS A 8 -10.664 2.529 -49.427 1.00 0.00 C ATOM 103 ND1 HIS A 8 -11.332 2.918 -50.567 1.00 0.00 N ATOM 104 CD2 HIS A 8 -11.620 2.382 -48.473 1.00 0.00 C ATOM 105 CE1 HIS A 8 -12.617 3.005 -50.311 1.00 0.00 C ATOM 106 NE2 HIS A 8 -12.816 2.686 -49.053 1.00 0.00 N ATOM 0 H HIS A 8 -10.027 -0.113 -50.802 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.527 1.043 -49.758 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.818 2.683 -48.385 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -8.718 3.062 -50.093 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -10.896 3.109 -51.469 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -11.462 2.081 -47.448 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -13.382 3.291 -51.017 1.00 0.00 H new ATOM 115 N HIS A 9 -7.810 -0.487 -47.853 1.00 0.00 N ATOM 116 CA HIS A 9 -7.853 -1.452 -46.749 1.00 0.00 C ATOM 117 C HIS A 9 -6.743 -1.109 -45.748 1.00 0.00 C ATOM 118 O HIS A 9 -5.681 -0.619 -46.143 1.00 0.00 O ATOM 119 CB HIS A 9 -7.664 -2.891 -47.305 1.00 0.00 C ATOM 120 CG HIS A 9 -7.721 -3.998 -46.276 1.00 0.00 C ATOM 121 ND1 HIS A 9 -6.599 -4.521 -45.673 1.00 0.00 N ATOM 122 CD2 HIS A 9 -8.771 -4.677 -45.750 1.00 0.00 C ATOM 123 CE1 HIS A 9 -6.959 -5.464 -44.828 1.00 0.00 C ATOM 124 NE2 HIS A 9 -8.269 -5.579 -44.854 1.00 0.00 N ATOM 0 H HIS A 9 -6.863 -0.193 -48.092 1.00 0.00 H new ATOM 0 HA HIS A 9 -8.818 -1.403 -46.244 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.433 -3.076 -48.055 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.702 -2.942 -47.815 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -9.813 -4.532 -45.994 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.289 -6.047 -44.214 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.819 -6.233 -44.298 1.00 0.00 H new ATOM 133 N HIS A 10 -6.995 -1.383 -44.460 1.00 0.00 N ATOM 134 CA HIS A 10 -6.026 -1.151 -43.383 1.00 0.00 C ATOM 135 C HIS A 10 -5.984 -2.382 -42.459 1.00 0.00 C ATOM 136 O HIS A 10 -6.919 -2.638 -41.697 1.00 0.00 O ATOM 137 CB HIS A 10 -6.357 0.158 -42.598 1.00 0.00 C ATOM 138 CG HIS A 10 -7.735 0.217 -41.968 1.00 0.00 C ATOM 139 ND1 HIS A 10 -7.975 -0.098 -40.646 1.00 0.00 N ATOM 140 CD2 HIS A 10 -8.942 0.543 -42.489 1.00 0.00 C ATOM 141 CE1 HIS A 10 -9.258 0.028 -40.385 1.00 0.00 C ATOM 142 NE2 HIS A 10 -9.868 0.414 -41.487 1.00 0.00 N ATOM 0 H HIS A 10 -7.880 -1.773 -44.136 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.035 -1.011 -43.815 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.613 0.286 -41.812 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.252 1.004 -43.278 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -9.138 0.848 -43.506 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.730 -0.154 -39.431 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.869 0.589 -41.580 1.00 0.00 H new ATOM 151 N SER A 11 -4.908 -3.173 -42.574 1.00 0.00 N ATOM 152 CA SER A 11 -4.657 -4.307 -41.674 1.00 0.00 C ATOM 153 C SER A 11 -4.051 -3.776 -40.359 1.00 0.00 C ATOM 154 O SER A 11 -2.831 -3.823 -40.141 1.00 0.00 O ATOM 155 CB SER A 11 -3.749 -5.359 -42.360 1.00 0.00 C ATOM 156 OG SER A 11 -2.560 -4.774 -42.867 1.00 0.00 O ATOM 0 H SER A 11 -4.191 -3.046 -43.289 1.00 0.00 H new ATOM 0 HA SER A 11 -5.593 -4.814 -41.439 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.494 -6.141 -41.645 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.295 -5.837 -43.173 1.00 0.00 H new ATOM 0 HG SER A 11 -2.160 -4.199 -42.181 1.00 0.00 H new ATOM 162 N SER A 12 -4.929 -3.221 -39.517 1.00 0.00 N ATOM 163 CA SER A 12 -4.570 -2.584 -38.241 1.00 0.00 C ATOM 164 C SER A 12 -4.961 -3.500 -37.071 1.00 0.00 C ATOM 165 O SER A 12 -6.083 -4.034 -37.042 1.00 0.00 O ATOM 166 CB SER A 12 -5.293 -1.223 -38.148 1.00 0.00 C ATOM 167 OG SER A 12 -6.691 -1.369 -38.370 1.00 0.00 O ATOM 0 H SER A 12 -5.931 -3.201 -39.706 1.00 0.00 H new ATOM 0 HA SER A 12 -3.494 -2.419 -38.190 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.122 -0.783 -37.165 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.875 -0.535 -38.883 1.00 0.00 H new ATOM 0 HG SER A 12 -6.942 -0.901 -39.194 1.00 0.00 H new ATOM 173 N GLY A 13 -4.042 -3.675 -36.111 1.00 0.00 N ATOM 174 CA GLY A 13 -4.262 -4.561 -34.969 1.00 0.00 C ATOM 175 C GLY A 13 -3.574 -4.073 -33.703 1.00 0.00 C ATOM 176 O GLY A 13 -2.727 -3.167 -33.747 1.00 0.00 O ATOM 0 H GLY A 13 -3.135 -3.209 -36.107 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.333 -4.649 -34.784 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.898 -5.559 -35.214 1.00 0.00 H new ATOM 180 N ARG A 14 -3.975 -4.658 -32.564 1.00 0.00 N ATOM 181 CA ARG A 14 -3.363 -4.411 -31.243 1.00 0.00 C ATOM 182 C ARG A 14 -2.917 -5.757 -30.635 1.00 0.00 C ATOM 183 O ARG A 14 -3.287 -6.826 -31.141 1.00 0.00 O ATOM 184 CB ARG A 14 -4.376 -3.711 -30.289 1.00 0.00 C ATOM 185 CG ARG A 14 -5.007 -2.406 -30.829 1.00 0.00 C ATOM 186 CD ARG A 14 -6.070 -1.831 -29.875 1.00 0.00 C ATOM 187 NE ARG A 14 -6.840 -0.744 -30.502 1.00 0.00 N ATOM 188 CZ ARG A 14 -8.170 -0.575 -30.410 1.00 0.00 C ATOM 189 NH1 ARG A 14 -8.918 -1.424 -29.713 1.00 0.00 N ATOM 190 NH2 ARG A 14 -8.743 0.454 -31.017 1.00 0.00 N ATOM 0 H ARG A 14 -4.745 -5.326 -32.531 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.501 -3.755 -31.367 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.177 -4.413 -30.060 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.869 -3.488 -29.350 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.224 -1.664 -30.986 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.461 -2.600 -31.801 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.749 -2.626 -29.567 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.585 -1.459 -28.973 1.00 0.00 H new ATOM 0 HE ARG A 14 -6.320 -0.061 -31.053 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.484 -2.216 -29.239 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.926 -1.283 -29.652 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.175 1.112 -31.550 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.752 0.588 -30.951 1.00 0.00 H new ATOM 204 N GLU A 15 -2.138 -5.688 -29.544 1.00 0.00 N ATOM 205 CA GLU A 15 -1.699 -6.876 -28.787 1.00 0.00 C ATOM 206 C GLU A 15 -2.892 -7.490 -28.028 1.00 0.00 C ATOM 207 O GLU A 15 -3.592 -6.780 -27.302 1.00 0.00 O ATOM 208 CB GLU A 15 -0.577 -6.495 -27.789 1.00 0.00 C ATOM 209 CG GLU A 15 0.644 -5.805 -28.429 1.00 0.00 C ATOM 210 CD GLU A 15 1.705 -5.413 -27.390 1.00 0.00 C ATOM 211 OE1 GLU A 15 1.588 -4.324 -26.791 1.00 0.00 O ATOM 212 OE2 GLU A 15 2.644 -6.200 -27.150 1.00 0.00 O ATOM 0 H GLU A 15 -1.794 -4.808 -29.160 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.308 -7.612 -29.490 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.994 -5.835 -27.029 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.241 -7.397 -27.278 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.090 -6.472 -29.166 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.316 -4.914 -28.963 1.00 0.00 H new ATOM 219 N ASN A 16 -3.116 -8.800 -28.216 1.00 0.00 N ATOM 220 CA ASN A 16 -4.226 -9.526 -27.573 1.00 0.00 C ATOM 221 C ASN A 16 -3.959 -9.695 -26.062 1.00 0.00 C ATOM 222 O ASN A 16 -4.706 -9.177 -25.222 1.00 0.00 O ATOM 223 CB ASN A 16 -4.425 -10.917 -28.243 1.00 0.00 C ATOM 224 CG ASN A 16 -4.827 -10.833 -29.716 1.00 0.00 C ATOM 225 OD1 ASN A 16 -3.978 -10.790 -30.610 1.00 0.00 O ATOM 226 ND2 ASN A 16 -6.118 -10.822 -29.977 1.00 0.00 N ATOM 0 H ASN A 16 -2.535 -9.386 -28.816 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.138 -8.943 -27.701 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.500 -11.487 -28.159 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.190 -11.468 -27.697 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.443 -10.777 -30.943 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.793 -10.859 -29.213 1.00 0.00 H new ATOM 233 N LEU A 17 -2.880 -10.424 -25.740 1.00 0.00 N ATOM 234 CA LEU A 17 -2.467 -10.728 -24.356 1.00 0.00 C ATOM 235 C LEU A 17 -1.237 -9.887 -23.981 1.00 0.00 C ATOM 236 O LEU A 17 -0.513 -9.388 -24.853 1.00 0.00 O ATOM 237 CB LEU A 17 -2.145 -12.252 -24.192 1.00 0.00 C ATOM 238 CG LEU A 17 -3.363 -13.244 -24.088 1.00 0.00 C ATOM 239 CD1 LEU A 17 -4.237 -13.252 -25.361 1.00 0.00 C ATOM 240 CD2 LEU A 17 -2.889 -14.678 -23.751 1.00 0.00 C ATOM 0 H LEU A 17 -2.259 -10.826 -26.442 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.291 -10.479 -23.688 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.532 -12.560 -25.039 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.535 -12.373 -23.297 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.986 -12.878 -23.272 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.061 -13.954 -25.232 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.635 -12.252 -25.535 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.632 -13.555 -26.216 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.752 -15.341 -23.686 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.218 -15.033 -24.533 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.363 -14.672 -22.796 1.00 0.00 H new ATOM 252 N TYR A 18 -1.026 -9.740 -22.665 1.00 0.00 N ATOM 253 CA TYR A 18 0.107 -9.005 -22.069 1.00 0.00 C ATOM 254 C TYR A 18 0.680 -9.847 -20.910 1.00 0.00 C ATOM 255 O TYR A 18 0.128 -10.905 -20.568 1.00 0.00 O ATOM 256 CB TYR A 18 -0.357 -7.610 -21.540 1.00 0.00 C ATOM 257 CG TYR A 18 -1.064 -6.717 -22.584 1.00 0.00 C ATOM 258 CD1 TYR A 18 -0.342 -5.833 -23.391 1.00 0.00 C ATOM 259 CD2 TYR A 18 -2.456 -6.764 -22.758 1.00 0.00 C ATOM 260 CE1 TYR A 18 -0.977 -5.042 -24.334 1.00 0.00 C ATOM 261 CE2 TYR A 18 -3.090 -5.975 -23.700 1.00 0.00 C ATOM 262 CZ TYR A 18 -2.347 -5.112 -24.479 1.00 0.00 C ATOM 263 OH TYR A 18 -2.973 -4.320 -25.414 1.00 0.00 O ATOM 0 H TYR A 18 -1.652 -10.138 -21.965 1.00 0.00 H new ATOM 0 HA TYR A 18 0.873 -8.838 -22.827 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.033 -7.764 -20.699 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.513 -7.076 -21.157 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.730 -5.766 -23.277 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.044 -7.430 -22.144 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.401 -4.372 -24.955 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.161 -6.034 -23.825 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.268 -4.874 -26.167 1.00 0.00 H new ATOM 273 N PHE A 19 1.792 -9.382 -20.316 1.00 0.00 N ATOM 274 CA PHE A 19 2.380 -9.978 -19.095 1.00 0.00 C ATOM 275 C PHE A 19 2.183 -8.996 -17.923 1.00 0.00 C ATOM 276 O PHE A 19 2.668 -7.860 -17.984 1.00 0.00 O ATOM 277 CB PHE A 19 3.890 -10.293 -19.313 1.00 0.00 C ATOM 278 CG PHE A 19 4.153 -11.293 -20.445 1.00 0.00 C ATOM 279 CD1 PHE A 19 4.167 -12.665 -20.196 1.00 0.00 C ATOM 280 CD2 PHE A 19 4.379 -10.858 -21.754 1.00 0.00 C ATOM 281 CE1 PHE A 19 4.395 -13.569 -21.217 1.00 0.00 C ATOM 282 CE2 PHE A 19 4.606 -11.763 -22.773 1.00 0.00 C ATOM 283 CZ PHE A 19 4.619 -13.118 -22.505 1.00 0.00 C ATOM 0 H PHE A 19 2.314 -8.579 -20.667 1.00 0.00 H new ATOM 0 HA PHE A 19 1.881 -10.919 -18.865 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.418 -9.365 -19.530 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.307 -10.688 -18.387 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.998 -13.026 -19.192 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.376 -9.800 -21.972 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.398 -14.629 -21.008 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.773 -11.411 -23.780 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.804 -13.825 -23.301 1.00 0.00 H new ATOM 293 N GLN A 20 1.436 -9.419 -16.888 1.00 0.00 N ATOM 294 CA GLN A 20 1.108 -8.570 -15.728 1.00 0.00 C ATOM 295 C GLN A 20 2.307 -8.541 -14.750 1.00 0.00 C ATOM 296 O GLN A 20 2.630 -9.557 -14.122 1.00 0.00 O ATOM 297 CB GLN A 20 -0.203 -9.095 -15.041 1.00 0.00 C ATOM 298 CG GLN A 20 -0.859 -8.151 -13.994 1.00 0.00 C ATOM 299 CD GLN A 20 -0.156 -8.129 -12.627 1.00 0.00 C ATOM 300 OE1 GLN A 20 0.775 -7.218 -12.445 1.00 0.00 O flip ATOM 301 NE2 GLN A 20 -0.487 -8.890 -11.721 1.00 0.00 N flip ATOM 0 H GLN A 20 1.043 -10.358 -16.832 1.00 0.00 H new ATOM 0 HA GLN A 20 0.921 -7.546 -16.053 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.937 -9.304 -15.819 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.023 -10.043 -14.553 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.875 -7.138 -14.396 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.896 -8.453 -13.850 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.211 -9.590 -11.882 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.038 -8.822 -10.808 1.00 0.00 H new ATOM 310 N GLY A 21 2.956 -7.363 -14.645 1.00 0.00 N ATOM 311 CA GLY A 21 4.038 -7.136 -13.674 1.00 0.00 C ATOM 312 C GLY A 21 5.410 -7.619 -14.148 1.00 0.00 C ATOM 313 O GLY A 21 5.519 -8.362 -15.129 1.00 0.00 O ATOM 0 H GLY A 21 2.745 -6.552 -15.226 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.096 -6.070 -13.452 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.788 -7.642 -12.742 1.00 0.00 H new ATOM 317 N HIS A 22 6.454 -7.186 -13.426 1.00 0.00 N ATOM 318 CA HIS A 22 7.859 -7.543 -13.699 1.00 0.00 C ATOM 319 C HIS A 22 8.159 -8.958 -13.164 1.00 0.00 C ATOM 320 O HIS A 22 8.374 -9.897 -13.946 1.00 0.00 O ATOM 321 CB HIS A 22 8.784 -6.472 -13.055 1.00 0.00 C ATOM 322 CG HIS A 22 10.256 -6.816 -13.006 1.00 0.00 C ATOM 323 ND1 HIS A 22 11.065 -6.847 -14.120 1.00 0.00 N ATOM 324 CD2 HIS A 22 11.057 -7.140 -11.961 1.00 0.00 C ATOM 325 CE1 HIS A 22 12.294 -7.169 -13.761 1.00 0.00 C ATOM 326 NE2 HIS A 22 12.314 -7.353 -12.459 1.00 0.00 N ATOM 0 H HIS A 22 6.347 -6.567 -12.622 1.00 0.00 H new ATOM 0 HA HIS A 22 8.044 -7.558 -14.773 1.00 0.00 H new ATOM 0 HB2 HIS A 22 8.667 -5.539 -13.606 1.00 0.00 H new ATOM 0 HB3 HIS A 22 8.440 -6.286 -12.038 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.758 -7.216 -10.926 1.00 0.00 H new ATOM 0 HE1 HIS A 22 13.140 -7.265 -14.425 1.00 0.00 H new ATOM 0 HE2 HIS A 22 13.133 -7.612 -11.909 1.00 0.00 H new ATOM 335 N MET A 23 8.170 -9.098 -11.827 1.00 0.00 N ATOM 336 CA MET A 23 8.382 -10.379 -11.135 1.00 0.00 C ATOM 337 C MET A 23 7.461 -10.433 -9.901 1.00 0.00 C ATOM 338 O MET A 23 7.756 -9.785 -8.886 1.00 0.00 O ATOM 339 CB MET A 23 9.876 -10.579 -10.710 1.00 0.00 C ATOM 340 CG MET A 23 10.858 -10.844 -11.869 1.00 0.00 C ATOM 341 SD MET A 23 12.539 -11.213 -11.310 1.00 0.00 S ATOM 342 CE MET A 23 12.314 -12.779 -10.457 1.00 0.00 C ATOM 0 H MET A 23 8.030 -8.314 -11.190 1.00 0.00 H new ATOM 0 HA MET A 23 8.139 -11.189 -11.823 1.00 0.00 H new ATOM 0 HB2 MET A 23 10.206 -9.691 -10.171 1.00 0.00 H new ATOM 0 HB3 MET A 23 9.930 -11.414 -10.011 1.00 0.00 H new ATOM 0 HG2 MET A 23 10.489 -11.679 -12.465 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.883 -9.972 -12.522 1.00 0.00 H new ATOM 0 HE1 MET A 23 12.528 -12.650 -9.396 1.00 0.00 H new ATOM 0 HE2 MET A 23 11.285 -13.116 -10.581 1.00 0.00 H new ATOM 0 HE3 MET A 23 12.992 -13.522 -10.876 1.00 0.00 H new ATOM 352 N PRO A 24 6.320 -11.191 -9.972 1.00 0.00 N ATOM 353 CA PRO A 24 5.362 -11.325 -8.845 1.00 0.00 C ATOM 354 C PRO A 24 5.832 -12.355 -7.780 1.00 0.00 C ATOM 355 O PRO A 24 5.104 -13.307 -7.458 1.00 0.00 O ATOM 356 CB PRO A 24 4.072 -11.779 -9.578 1.00 0.00 C ATOM 357 CG PRO A 24 4.568 -12.616 -10.716 1.00 0.00 C ATOM 358 CD PRO A 24 5.856 -11.959 -11.170 1.00 0.00 C ATOM 0 HA PRO A 24 5.239 -10.409 -8.267 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.420 -12.351 -8.918 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.495 -10.925 -9.934 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.742 -13.645 -10.400 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.838 -12.650 -11.525 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.594 -12.700 -11.478 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.688 -11.302 -12.024 1.00 0.00 H new ATOM 366 N ASN A 25 7.045 -12.133 -7.229 1.00 0.00 N ATOM 367 CA ASN A 25 7.644 -12.981 -6.175 1.00 0.00 C ATOM 368 C ASN A 25 6.746 -12.957 -4.923 1.00 0.00 C ATOM 369 O ASN A 25 6.211 -13.988 -4.501 1.00 0.00 O ATOM 370 CB ASN A 25 9.083 -12.479 -5.829 1.00 0.00 C ATOM 371 CG ASN A 25 10.058 -12.517 -7.009 1.00 0.00 C ATOM 372 OD1 ASN A 25 9.965 -13.359 -7.892 1.00 0.00 O ATOM 373 ND2 ASN A 25 11.021 -11.608 -7.018 1.00 0.00 N ATOM 0 H ASN A 25 7.641 -11.353 -7.506 1.00 0.00 H new ATOM 0 HA ASN A 25 7.719 -14.006 -6.537 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.020 -11.457 -5.456 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.484 -13.089 -5.020 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.707 -11.599 -7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.077 -10.917 -6.270 1.00 0.00 H new ATOM 380 N ASP A 26 6.588 -11.753 -4.352 1.00 0.00 N ATOM 381 CA ASP A 26 5.613 -11.485 -3.291 1.00 0.00 C ATOM 382 C ASP A 26 5.256 -9.998 -3.296 1.00 0.00 C ATOM 383 O ASP A 26 4.238 -9.629 -3.871 1.00 0.00 O ATOM 384 CB ASP A 26 6.124 -11.935 -1.887 1.00 0.00 C ATOM 385 CG ASP A 26 5.191 -11.491 -0.739 1.00 0.00 C ATOM 386 OD1 ASP A 26 4.065 -12.029 -0.631 1.00 0.00 O ATOM 387 OD2 ASP A 26 5.553 -10.560 0.021 1.00 0.00 O ATOM 0 H ASP A 26 7.137 -10.936 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 26 4.719 -12.075 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.220 -13.021 -1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.120 -11.524 -1.719 1.00 0.00 H new ATOM 392 N MET A 27 6.148 -9.151 -2.720 1.00 0.00 N ATOM 393 CA MET A 27 5.840 -7.738 -2.371 1.00 0.00 C ATOM 394 C MET A 27 5.312 -6.913 -3.561 1.00 0.00 C ATOM 395 O MET A 27 4.448 -6.052 -3.380 1.00 0.00 O ATOM 396 CB MET A 27 7.076 -7.036 -1.746 1.00 0.00 C ATOM 397 CG MET A 27 8.316 -6.963 -2.657 1.00 0.00 C ATOM 398 SD MET A 27 9.569 -5.808 -2.059 1.00 0.00 S ATOM 399 CE MET A 27 8.708 -4.246 -2.244 1.00 0.00 C ATOM 0 H MET A 27 7.101 -9.428 -2.484 1.00 0.00 H new ATOM 0 HA MET A 27 5.036 -7.784 -1.636 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.793 -6.023 -1.461 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.348 -7.560 -0.830 1.00 0.00 H new ATOM 0 HG2 MET A 27 8.757 -7.956 -2.741 1.00 0.00 H new ATOM 0 HG3 MET A 27 8.006 -6.666 -3.659 1.00 0.00 H new ATOM 0 HE1 MET A 27 9.435 -3.441 -2.352 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.073 -4.283 -3.129 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.092 -4.063 -1.363 1.00 0.00 H new ATOM 409 N GLU A 28 5.829 -7.191 -4.772 1.00 0.00 N ATOM 410 CA GLU A 28 5.416 -6.479 -5.987 1.00 0.00 C ATOM 411 C GLU A 28 3.930 -6.757 -6.281 1.00 0.00 C ATOM 412 O GLU A 28 3.123 -5.837 -6.347 1.00 0.00 O ATOM 413 CB GLU A 28 6.294 -6.881 -7.192 1.00 0.00 C ATOM 414 CG GLU A 28 5.976 -6.085 -8.481 1.00 0.00 C ATOM 415 CD GLU A 28 6.788 -6.552 -9.692 1.00 0.00 C ATOM 416 OE1 GLU A 28 7.997 -6.240 -9.766 1.00 0.00 O ATOM 417 OE2 GLU A 28 6.228 -7.247 -10.562 1.00 0.00 O ATOM 0 H GLU A 28 6.537 -7.908 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 28 5.549 -5.410 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.342 -6.733 -6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.161 -7.945 -7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.914 -6.179 -8.706 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.173 -5.027 -8.305 1.00 0.00 H new ATOM 424 N ASP A 29 3.589 -8.046 -6.400 1.00 0.00 N ATOM 425 CA ASP A 29 2.212 -8.486 -6.684 1.00 0.00 C ATOM 426 C ASP A 29 1.273 -8.155 -5.510 1.00 0.00 C ATOM 427 O ASP A 29 0.124 -7.784 -5.717 1.00 0.00 O ATOM 428 CB ASP A 29 2.190 -10.013 -6.953 1.00 0.00 C ATOM 429 CG ASP A 29 0.809 -10.551 -7.391 1.00 0.00 C ATOM 430 OD1 ASP A 29 0.502 -10.529 -8.604 1.00 0.00 O ATOM 431 OD2 ASP A 29 0.023 -11.013 -6.531 1.00 0.00 O ATOM 0 H ASP A 29 4.255 -8.813 -6.303 1.00 0.00 H new ATOM 0 HA ASP A 29 1.861 -7.954 -7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.922 -10.247 -7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.503 -10.536 -6.049 1.00 0.00 H new ATOM 436 N HIS A 30 1.810 -8.258 -4.285 1.00 0.00 N ATOM 437 CA HIS A 30 1.031 -8.208 -3.041 1.00 0.00 C ATOM 438 C HIS A 30 0.496 -6.788 -2.790 1.00 0.00 C ATOM 439 O HIS A 30 -0.708 -6.608 -2.552 1.00 0.00 O ATOM 440 CB HIS A 30 1.907 -8.701 -1.853 1.00 0.00 C ATOM 441 CG HIS A 30 1.133 -9.167 -0.642 1.00 0.00 C ATOM 442 ND1 HIS A 30 1.461 -10.299 0.074 1.00 0.00 N ATOM 443 CD2 HIS A 30 0.053 -8.638 -0.015 1.00 0.00 C ATOM 444 CE1 HIS A 30 0.618 -10.436 1.074 1.00 0.00 C ATOM 445 NE2 HIS A 30 -0.243 -9.448 1.037 1.00 0.00 N ATOM 0 H HIS A 30 2.811 -8.380 -4.130 1.00 0.00 H new ATOM 0 HA HIS A 30 0.170 -8.869 -3.133 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.537 -9.520 -2.201 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.573 -7.892 -1.551 1.00 0.00 H new ATOM 0 HD1 HIS A 30 2.234 -10.930 -0.138 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.475 -7.739 -0.299 1.00 0.00 H new ATOM 0 HE1 HIS A 30 0.633 -11.231 1.805 1.00 0.00 H new ATOM 454 N LEU A 31 1.397 -5.790 -2.840 1.00 0.00 N ATOM 455 CA LEU A 31 1.007 -4.377 -2.697 1.00 0.00 C ATOM 456 C LEU A 31 0.157 -3.937 -3.902 1.00 0.00 C ATOM 457 O LEU A 31 -0.760 -3.132 -3.756 1.00 0.00 O ATOM 458 CB LEU A 31 2.236 -3.439 -2.520 1.00 0.00 C ATOM 459 CG LEU A 31 2.870 -3.356 -1.098 1.00 0.00 C ATOM 460 CD1 LEU A 31 1.818 -2.955 -0.050 1.00 0.00 C ATOM 461 CD2 LEU A 31 3.598 -4.656 -0.708 1.00 0.00 C ATOM 0 H LEU A 31 2.397 -5.936 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 31 0.411 -4.293 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.010 -3.761 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.939 -2.433 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 31 3.629 -2.574 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.285 -2.904 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.403 -1.980 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.019 -3.696 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.023 -4.550 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.891 -5.485 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.396 -4.854 -1.423 1.00 0.00 H new ATOM 473 N LEU A 32 0.459 -4.496 -5.086 1.00 0.00 N ATOM 474 CA LEU A 32 -0.307 -4.223 -6.317 1.00 0.00 C ATOM 475 C LEU A 32 -1.762 -4.744 -6.181 1.00 0.00 C ATOM 476 O LEU A 32 -2.702 -4.148 -6.724 1.00 0.00 O ATOM 477 CB LEU A 32 0.413 -4.884 -7.523 1.00 0.00 C ATOM 478 CG LEU A 32 0.048 -4.347 -8.935 1.00 0.00 C ATOM 479 CD1 LEU A 32 0.418 -2.855 -9.078 1.00 0.00 C ATOM 480 CD2 LEU A 32 0.733 -5.184 -10.031 1.00 0.00 C ATOM 0 H LEU A 32 1.235 -5.145 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.358 -3.147 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.488 -4.768 -7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.202 -5.953 -7.501 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.031 -4.438 -9.057 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.151 -2.508 -10.076 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.125 -2.273 -8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.490 -2.730 -8.925 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.464 -4.790 -11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.814 -5.134 -9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.407 -6.221 -9.954 1.00 0.00 H new ATOM 492 N THR A 33 -1.923 -5.859 -5.427 1.00 0.00 N ATOM 493 CA THR A 33 -3.236 -6.481 -5.165 1.00 0.00 C ATOM 494 C THR A 33 -4.071 -5.622 -4.195 1.00 0.00 C ATOM 495 O THR A 33 -5.222 -5.308 -4.494 1.00 0.00 O ATOM 496 CB THR A 33 -3.103 -7.943 -4.597 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.440 -8.790 -5.549 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.471 -8.566 -4.260 1.00 0.00 C ATOM 0 H THR A 33 -1.145 -6.349 -4.986 1.00 0.00 H new ATOM 0 HA THR A 33 -3.747 -6.540 -6.126 1.00 0.00 H new ATOM 0 HB THR A 33 -2.520 -7.869 -3.679 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.519 -8.481 -5.676 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.326 -9.574 -3.872 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.973 -7.957 -3.509 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.083 -8.609 -5.161 1.00 0.00 H new ATOM 506 N VAL A 34 -3.485 -5.241 -3.038 1.00 0.00 N ATOM 507 CA VAL A 34 -4.212 -4.465 -2.000 1.00 0.00 C ATOM 508 C VAL A 34 -4.653 -3.080 -2.553 1.00 0.00 C ATOM 509 O VAL A 34 -5.717 -2.575 -2.192 1.00 0.00 O ATOM 510 CB VAL A 34 -3.366 -4.325 -0.665 1.00 0.00 C ATOM 511 CG1 VAL A 34 -2.057 -3.548 -0.882 1.00 0.00 C ATOM 512 CG2 VAL A 34 -4.195 -3.692 0.477 1.00 0.00 C ATOM 0 H VAL A 34 -2.517 -5.455 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.113 -5.022 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.099 -5.338 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.514 -3.479 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.443 -4.068 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.285 -2.545 -1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.580 -3.614 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.528 -2.698 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.063 -4.317 0.686 1.00 0.00 H new ATOM 522 N LEU A 35 -3.848 -2.516 -3.481 1.00 0.00 N ATOM 523 CA LEU A 35 -4.188 -1.269 -4.199 1.00 0.00 C ATOM 524 C LEU A 35 -5.292 -1.505 -5.244 1.00 0.00 C ATOM 525 O LEU A 35 -6.098 -0.615 -5.486 1.00 0.00 O ATOM 526 CB LEU A 35 -2.936 -0.665 -4.882 1.00 0.00 C ATOM 527 CG LEU A 35 -1.805 -0.175 -3.925 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.612 0.390 -4.725 1.00 0.00 C ATOM 529 CD2 LEU A 35 -2.333 0.859 -2.904 1.00 0.00 C ATOM 0 H LEU A 35 -2.948 -2.911 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.562 -0.561 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.517 -1.413 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.253 0.176 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.454 -1.039 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.163 0.725 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.209 -0.387 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.946 1.232 -5.331 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.518 1.178 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.733 1.723 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.121 0.406 -2.302 1.00 0.00 H new ATOM 541 N SER A 36 -5.295 -2.698 -5.870 1.00 0.00 N ATOM 542 CA SER A 36 -6.326 -3.099 -6.852 1.00 0.00 C ATOM 543 C SER A 36 -7.713 -3.208 -6.188 1.00 0.00 C ATOM 544 O SER A 36 -8.734 -2.852 -6.789 1.00 0.00 O ATOM 545 CB SER A 36 -5.926 -4.444 -7.512 1.00 0.00 C ATOM 546 OG SER A 36 -6.890 -4.890 -8.456 1.00 0.00 O ATOM 0 H SER A 36 -4.584 -3.412 -5.710 1.00 0.00 H new ATOM 0 HA SER A 36 -6.390 -2.331 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.962 -4.330 -8.007 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.800 -5.202 -6.739 1.00 0.00 H new ATOM 0 HG SER A 36 -7.223 -4.125 -8.970 1.00 0.00 H new ATOM 552 N VAL A 37 -7.722 -3.687 -4.935 1.00 0.00 N ATOM 553 CA VAL A 37 -8.951 -3.860 -4.138 1.00 0.00 C ATOM 554 C VAL A 37 -9.353 -2.517 -3.474 1.00 0.00 C ATOM 555 O VAL A 37 -10.534 -2.284 -3.178 1.00 0.00 O ATOM 556 CB VAL A 37 -8.760 -4.991 -3.048 1.00 0.00 C ATOM 557 CG1 VAL A 37 -10.084 -5.323 -2.328 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.159 -6.278 -3.670 1.00 0.00 C ATOM 0 H VAL A 37 -6.874 -3.967 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.755 -4.171 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.060 -4.600 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.910 -6.104 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.462 -4.430 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.817 -5.670 -3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.040 -7.035 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.827 -6.654 -4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.187 -6.051 -4.107 1.00 0.00 H new ATOM 568 N ALA A 38 -8.354 -1.634 -3.262 1.00 0.00 N ATOM 569 CA ALA A 38 -8.563 -0.292 -2.680 1.00 0.00 C ATOM 570 C ALA A 38 -9.208 0.670 -3.698 1.00 0.00 C ATOM 571 O ALA A 38 -10.133 1.416 -3.366 1.00 0.00 O ATOM 572 CB ALA A 38 -7.227 0.278 -2.173 1.00 0.00 C ATOM 0 H ALA A 38 -7.380 -1.832 -3.490 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.249 -0.392 -1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.392 1.267 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.816 -0.383 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.525 0.354 -3.004 1.00 0.00 H new ATOM 578 N SER A 39 -8.708 0.630 -4.939 1.00 0.00 N ATOM 579 CA SER A 39 -9.131 1.533 -6.020 1.00 0.00 C ATOM 580 C SER A 39 -10.356 0.971 -6.755 1.00 0.00 C ATOM 581 O SER A 39 -11.354 1.669 -6.957 1.00 0.00 O ATOM 582 CB SER A 39 -7.962 1.730 -7.001 1.00 0.00 C ATOM 583 OG SER A 39 -7.547 0.493 -7.560 1.00 0.00 O ATOM 0 H SER A 39 -7.991 -0.037 -5.225 1.00 0.00 H new ATOM 0 HA SER A 39 -9.412 2.494 -5.590 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.263 2.409 -7.798 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.124 2.197 -6.483 1.00 0.00 H new ATOM 0 HG SER A 39 -6.972 0.022 -6.921 1.00 0.00 H new ATOM 589 N GLY A 40 -10.254 -0.303 -7.160 1.00 0.00 N ATOM 590 CA GLY A 40 -11.295 -0.971 -7.939 1.00 0.00 C ATOM 591 C GLY A 40 -10.762 -1.510 -9.260 1.00 0.00 C ATOM 592 O GLY A 40 -11.239 -2.533 -9.747 1.00 0.00 O ATOM 0 H GLY A 40 -9.448 -0.894 -6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.714 -1.791 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.107 -0.271 -8.134 1.00 0.00 H new ATOM 596 N VAL A 41 -9.776 -0.800 -9.853 1.00 0.00 N ATOM 597 CA VAL A 41 -9.142 -1.209 -11.121 1.00 0.00 C ATOM 598 C VAL A 41 -8.196 -2.424 -10.908 1.00 0.00 C ATOM 599 O VAL A 41 -7.404 -2.416 -9.965 1.00 0.00 O ATOM 600 CB VAL A 41 -8.363 -0.011 -11.804 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.345 1.042 -12.368 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.353 0.653 -10.840 1.00 0.00 C ATOM 0 H VAL A 41 -9.401 0.067 -9.467 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.943 -1.510 -11.796 1.00 0.00 H new ATOM 0 HB VAL A 41 -7.795 -0.436 -12.632 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.783 1.853 -12.831 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.990 0.576 -13.113 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.956 1.441 -11.558 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.843 1.469 -11.353 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.883 1.045 -9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.620 -0.086 -10.515 1.00 0.00 H new ATOM 612 N PRO A 42 -8.322 -3.516 -11.746 1.00 0.00 N ATOM 613 CA PRO A 42 -7.421 -4.706 -11.687 1.00 0.00 C ATOM 614 C PRO A 42 -5.915 -4.367 -11.808 1.00 0.00 C ATOM 615 O PRO A 42 -5.550 -3.324 -12.361 1.00 0.00 O ATOM 616 CB PRO A 42 -7.889 -5.570 -12.889 1.00 0.00 C ATOM 617 CG PRO A 42 -9.326 -5.184 -13.087 1.00 0.00 C ATOM 618 CD PRO A 42 -9.392 -3.704 -12.765 1.00 0.00 C ATOM 0 HA PRO A 42 -7.495 -5.204 -10.720 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.296 -5.366 -13.780 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.789 -6.634 -12.677 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.648 -5.378 -14.110 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.981 -5.758 -12.432 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.214 -3.093 -13.650 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.370 -3.422 -12.375 1.00 0.00 H new ATOM 626 N LYS A 43 -5.060 -5.286 -11.304 1.00 0.00 N ATOM 627 CA LYS A 43 -3.578 -5.161 -11.337 1.00 0.00 C ATOM 628 C LYS A 43 -3.033 -4.982 -12.770 1.00 0.00 C ATOM 629 O LYS A 43 -1.967 -4.390 -12.969 1.00 0.00 O ATOM 630 CB LYS A 43 -2.923 -6.421 -10.716 1.00 0.00 C ATOM 631 CG LYS A 43 -3.273 -6.688 -9.234 1.00 0.00 C ATOM 632 CD LYS A 43 -2.602 -7.975 -8.688 1.00 0.00 C ATOM 633 CE LYS A 43 -3.065 -9.251 -9.418 1.00 0.00 C ATOM 634 NZ LYS A 43 -2.415 -10.473 -8.871 1.00 0.00 N ATOM 0 H LYS A 43 -5.379 -6.146 -10.857 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.327 -4.271 -10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.218 -7.290 -11.304 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.841 -6.328 -10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.961 -5.835 -8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.355 -6.773 -9.129 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.520 -7.882 -8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.823 -8.071 -7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.147 -9.346 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.837 -9.164 -10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.647 -11.289 -9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.384 -10.339 -8.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.759 -10.647 -7.905 1.00 0.00 H new ATOM 648 N GLU A 44 -3.781 -5.512 -13.750 1.00 0.00 N ATOM 649 CA GLU A 44 -3.416 -5.463 -15.175 1.00 0.00 C ATOM 650 C GLU A 44 -3.479 -4.025 -15.734 1.00 0.00 C ATOM 651 O GLU A 44 -2.865 -3.728 -16.764 1.00 0.00 O ATOM 652 CB GLU A 44 -4.355 -6.404 -15.975 1.00 0.00 C ATOM 653 CG GLU A 44 -4.330 -7.879 -15.502 1.00 0.00 C ATOM 654 CD GLU A 44 -5.189 -8.816 -16.366 1.00 0.00 C ATOM 655 OE1 GLU A 44 -4.771 -9.143 -17.496 1.00 0.00 O ATOM 656 OE2 GLU A 44 -6.291 -9.213 -15.934 1.00 0.00 O ATOM 0 H GLU A 44 -4.664 -5.991 -13.574 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.384 -5.799 -15.279 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.376 -6.028 -15.902 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.076 -6.367 -17.028 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.300 -8.236 -15.507 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.679 -7.927 -14.471 1.00 0.00 H new ATOM 663 N GLU A 45 -4.241 -3.152 -15.054 1.00 0.00 N ATOM 664 CA GLU A 45 -4.383 -1.727 -15.427 1.00 0.00 C ATOM 665 C GLU A 45 -3.593 -0.813 -14.476 1.00 0.00 C ATOM 666 O GLU A 45 -3.650 0.418 -14.613 1.00 0.00 O ATOM 667 CB GLU A 45 -5.883 -1.340 -15.435 1.00 0.00 C ATOM 668 CG GLU A 45 -6.698 -2.053 -16.529 1.00 0.00 C ATOM 669 CD GLU A 45 -8.189 -1.703 -16.502 1.00 0.00 C ATOM 670 OE1 GLU A 45 -8.953 -2.390 -15.803 1.00 0.00 O ATOM 671 OE2 GLU A 45 -8.606 -0.740 -17.180 1.00 0.00 O ATOM 0 H GLU A 45 -4.779 -3.412 -14.227 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.969 -1.590 -16.426 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.315 -1.573 -14.462 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.971 -0.262 -15.573 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.289 -1.792 -17.505 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.583 -3.131 -16.413 1.00 0.00 H new ATOM 678 N ILE A 46 -2.860 -1.411 -13.515 1.00 0.00 N ATOM 679 CA ILE A 46 -2.010 -0.667 -12.562 1.00 0.00 C ATOM 680 C ILE A 46 -0.528 -0.996 -12.836 1.00 0.00 C ATOM 681 O ILE A 46 -0.124 -2.167 -12.778 1.00 0.00 O ATOM 682 CB ILE A 46 -2.338 -1.025 -11.061 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.870 -0.948 -10.774 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.555 -0.093 -10.093 1.00 0.00 C ATOM 685 CD1 ILE A 46 -4.275 -1.428 -9.390 1.00 0.00 C ATOM 0 H ILE A 46 -2.840 -2.421 -13.377 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.210 0.395 -12.707 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.020 -2.054 -10.890 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.199 0.084 -10.898 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.397 -1.543 -11.520 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.794 -0.355 -9.062 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.484 -0.213 -10.259 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.837 0.943 -10.278 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.355 -1.340 -9.276 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.981 -2.470 -9.266 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.780 -0.819 -8.634 1.00 0.00 H new ATOM 697 N SER A 47 0.265 0.034 -13.143 1.00 0.00 N ATOM 698 CA SER A 47 1.730 -0.080 -13.265 1.00 0.00 C ATOM 699 C SER A 47 2.393 0.455 -11.976 1.00 0.00 C ATOM 700 O SER A 47 1.728 1.109 -11.158 1.00 0.00 O ATOM 701 CB SER A 47 2.205 0.704 -14.506 1.00 0.00 C ATOM 702 OG SER A 47 1.545 0.247 -15.679 1.00 0.00 O ATOM 0 H SER A 47 -0.087 0.976 -13.315 1.00 0.00 H new ATOM 0 HA SER A 47 2.017 -1.124 -13.391 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.011 1.767 -14.366 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.283 0.590 -14.623 1.00 0.00 H new ATOM 0 HG SER A 47 1.861 0.759 -16.453 1.00 0.00 H new ATOM 708 N ARG A 48 3.704 0.187 -11.805 1.00 0.00 N ATOM 709 CA ARG A 48 4.462 0.667 -10.630 1.00 0.00 C ATOM 710 C ARG A 48 4.682 2.192 -10.707 1.00 0.00 C ATOM 711 O ARG A 48 4.967 2.840 -9.700 1.00 0.00 O ATOM 712 CB ARG A 48 5.818 -0.072 -10.490 1.00 0.00 C ATOM 713 CG ARG A 48 5.718 -1.618 -10.497 1.00 0.00 C ATOM 714 CD ARG A 48 6.976 -2.311 -9.942 1.00 0.00 C ATOM 715 NE ARG A 48 8.227 -1.801 -10.532 1.00 0.00 N ATOM 716 CZ ARG A 48 9.334 -2.524 -10.748 1.00 0.00 C ATOM 717 NH1 ARG A 48 9.370 -3.828 -10.505 1.00 0.00 N ATOM 718 NH2 ARG A 48 10.422 -1.927 -11.198 1.00 0.00 N ATOM 0 H ARG A 48 4.259 -0.358 -12.464 1.00 0.00 H new ATOM 0 HA ARG A 48 3.869 0.447 -9.743 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.472 0.240 -11.305 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.294 0.243 -9.561 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.854 -1.922 -9.907 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.543 -1.960 -11.517 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.010 -2.176 -8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.905 -3.383 -10.128 1.00 0.00 H new ATOM 0 HE ARG A 48 8.252 -0.817 -10.798 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.542 -4.303 -10.145 1.00 0.00 H new ATOM 0 HH12 ARG A 48 10.226 -4.356 -10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.415 -0.923 -11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 48 11.269 -2.470 -11.365 1.00 0.00 H new ATOM 732 N ASP A 49 4.550 2.757 -11.917 1.00 0.00 N ATOM 733 CA ASP A 49 4.526 4.207 -12.131 1.00 0.00 C ATOM 734 C ASP A 49 3.219 4.575 -12.857 1.00 0.00 C ATOM 735 O ASP A 49 3.167 4.676 -14.084 1.00 0.00 O ATOM 736 CB ASP A 49 5.782 4.682 -12.916 1.00 0.00 C ATOM 737 CG ASP A 49 5.841 6.212 -13.075 1.00 0.00 C ATOM 738 OD1 ASP A 49 5.942 6.923 -12.047 1.00 0.00 O ATOM 739 OD2 ASP A 49 5.749 6.721 -14.219 1.00 0.00 O ATOM 0 H ASP A 49 4.457 2.216 -12.777 1.00 0.00 H new ATOM 0 HA ASP A 49 4.555 4.722 -11.171 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.679 4.340 -12.400 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.786 4.218 -13.902 1.00 0.00 H new ATOM 744 N SER A 50 2.137 4.638 -12.076 1.00 0.00 N ATOM 745 CA SER A 50 0.823 5.180 -12.501 1.00 0.00 C ATOM 746 C SER A 50 0.397 6.284 -11.518 1.00 0.00 C ATOM 747 O SER A 50 -0.780 6.653 -11.444 1.00 0.00 O ATOM 748 CB SER A 50 -0.221 4.035 -12.549 1.00 0.00 C ATOM 749 OG SER A 50 0.168 3.039 -13.474 1.00 0.00 O ATOM 0 H SER A 50 2.140 4.310 -11.110 1.00 0.00 H new ATOM 0 HA SER A 50 0.895 5.611 -13.499 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.330 3.595 -11.558 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.195 4.436 -12.828 1.00 0.00 H new ATOM 0 HG SER A 50 -0.617 2.734 -13.976 1.00 0.00 H new ATOM 755 N ARG A 51 1.410 6.822 -10.792 1.00 0.00 N ATOM 756 CA ARG A 51 1.246 7.747 -9.657 1.00 0.00 C ATOM 757 C ARG A 51 0.342 7.159 -8.545 1.00 0.00 C ATOM 758 O ARG A 51 0.030 5.962 -8.545 1.00 0.00 O ATOM 759 CB ARG A 51 0.751 9.152 -10.111 1.00 0.00 C ATOM 760 CG ARG A 51 1.647 9.862 -11.149 1.00 0.00 C ATOM 761 CD ARG A 51 1.288 11.348 -11.313 1.00 0.00 C ATOM 762 NE ARG A 51 -0.163 11.550 -11.495 1.00 0.00 N ATOM 763 CZ ARG A 51 -0.902 12.493 -10.884 1.00 0.00 C ATOM 764 NH1 ARG A 51 -0.352 13.386 -10.078 1.00 0.00 N ATOM 765 NH2 ARG A 51 -2.204 12.547 -11.105 1.00 0.00 N ATOM 0 H ARG A 51 2.389 6.614 -10.991 1.00 0.00 H new ATOM 0 HA ARG A 51 2.238 7.879 -9.225 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.250 9.049 -10.529 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.665 9.791 -9.232 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.690 9.774 -10.845 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.552 9.359 -12.112 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.624 11.901 -10.436 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.821 11.757 -12.171 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.645 10.922 -12.138 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.654 13.369 -9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.934 14.092 -9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.642 11.876 -11.736 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.770 13.260 -10.645 1.00 0.00 H new ATOM 779 N MET A 52 -0.036 8.002 -7.574 1.00 0.00 N ATOM 780 CA MET A 52 -0.893 7.603 -6.459 1.00 0.00 C ATOM 781 C MET A 52 -1.769 8.794 -6.042 1.00 0.00 C ATOM 782 O MET A 52 -1.399 9.600 -5.177 1.00 0.00 O ATOM 783 CB MET A 52 -0.039 7.050 -5.290 1.00 0.00 C ATOM 784 CG MET A 52 -0.847 6.533 -4.099 1.00 0.00 C ATOM 785 SD MET A 52 0.158 5.619 -2.913 1.00 0.00 S ATOM 786 CE MET A 52 0.567 4.144 -3.846 1.00 0.00 C ATOM 0 H MET A 52 0.247 8.981 -7.544 1.00 0.00 H new ATOM 0 HA MET A 52 -1.556 6.794 -6.767 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.587 6.241 -5.666 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.631 7.837 -4.943 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.320 7.375 -3.594 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.648 5.889 -4.462 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.068 3.283 -3.402 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.237 4.263 -4.878 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.646 3.988 -3.826 1.00 0.00 H new ATOM 796 N GLU A 53 -2.898 8.935 -6.754 1.00 0.00 N ATOM 797 CA GLU A 53 -3.952 9.928 -6.459 1.00 0.00 C ATOM 798 C GLU A 53 -5.312 9.231 -6.253 1.00 0.00 C ATOM 799 O GLU A 53 -6.306 9.881 -5.911 1.00 0.00 O ATOM 800 CB GLU A 53 -4.013 11.017 -7.584 1.00 0.00 C ATOM 801 CG GLU A 53 -3.816 10.527 -9.045 1.00 0.00 C ATOM 802 CD GLU A 53 -4.899 9.566 -9.568 1.00 0.00 C ATOM 803 OE1 GLU A 53 -5.987 10.030 -9.959 1.00 0.00 O ATOM 804 OE2 GLU A 53 -4.673 8.344 -9.586 1.00 0.00 O ATOM 0 H GLU A 53 -3.111 8.354 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.705 10.438 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.980 11.517 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.252 11.768 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.778 11.397 -9.701 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.848 10.031 -9.117 1.00 0.00 H new ATOM 811 N ASP A 54 -5.336 7.899 -6.455 1.00 0.00 N ATOM 812 CA ASP A 54 -6.562 7.082 -6.339 1.00 0.00 C ATOM 813 C ASP A 54 -6.269 5.765 -5.589 1.00 0.00 C ATOM 814 O ASP A 54 -7.102 5.290 -4.812 1.00 0.00 O ATOM 815 CB ASP A 54 -7.137 6.786 -7.750 1.00 0.00 C ATOM 816 CG ASP A 54 -8.532 6.133 -7.719 1.00 0.00 C ATOM 817 OD1 ASP A 54 -9.537 6.872 -7.607 1.00 0.00 O ATOM 818 OD2 ASP A 54 -8.639 4.891 -7.803 1.00 0.00 O ATOM 0 H ASP A 54 -4.507 7.359 -6.703 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.302 7.642 -5.767 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.193 7.717 -8.314 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.449 6.130 -8.284 1.00 0.00 H new ATOM 823 N LEU A 55 -5.073 5.195 -5.822 1.00 0.00 N ATOM 824 CA LEU A 55 -4.666 3.900 -5.237 1.00 0.00 C ATOM 825 C LEU A 55 -4.500 3.960 -3.705 1.00 0.00 C ATOM 826 O LEU A 55 -4.821 2.981 -3.021 1.00 0.00 O ATOM 827 CB LEU A 55 -3.356 3.418 -5.908 1.00 0.00 C ATOM 828 CG LEU A 55 -3.455 3.109 -7.438 1.00 0.00 C ATOM 829 CD1 LEU A 55 -2.057 2.955 -8.067 1.00 0.00 C ATOM 830 CD2 LEU A 55 -4.320 1.860 -7.707 1.00 0.00 C ATOM 0 H LEU A 55 -4.361 5.616 -6.419 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.467 3.187 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.591 4.179 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.016 2.518 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.945 3.960 -7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.158 2.741 -9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.495 3.879 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.527 2.136 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.367 1.674 -8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.878 0.997 -7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.327 2.025 -7.323 1.00 0.00 H new ATOM 842 N ALA A 56 -3.984 5.097 -3.190 1.00 0.00 N ATOM 843 CA ALA A 56 -3.811 5.333 -1.736 1.00 0.00 C ATOM 844 C ALA A 56 -3.495 6.815 -1.474 1.00 0.00 C ATOM 845 O ALA A 56 -2.335 7.186 -1.281 1.00 0.00 O ATOM 846 CB ALA A 56 -2.715 4.416 -1.140 1.00 0.00 C ATOM 0 H ALA A 56 -3.675 5.878 -3.769 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.747 5.083 -1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.614 4.615 -0.073 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.993 3.373 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.765 4.614 -1.637 1.00 0.00 H new ATOM 852 N PHE A 57 -4.536 7.667 -1.479 1.00 0.00 N ATOM 853 CA PHE A 57 -4.366 9.131 -1.332 1.00 0.00 C ATOM 854 C PHE A 57 -5.571 9.767 -0.594 1.00 0.00 C ATOM 855 O PHE A 57 -5.499 10.916 -0.141 1.00 0.00 O ATOM 856 CB PHE A 57 -4.146 9.759 -2.742 1.00 0.00 C ATOM 857 CG PHE A 57 -3.767 11.241 -2.754 1.00 0.00 C ATOM 858 CD1 PHE A 57 -2.606 11.680 -2.118 1.00 0.00 C ATOM 859 CD2 PHE A 57 -4.562 12.191 -3.400 1.00 0.00 C ATOM 860 CE1 PHE A 57 -2.256 13.013 -2.127 1.00 0.00 C ATOM 861 CE2 PHE A 57 -4.207 13.525 -3.409 1.00 0.00 C ATOM 862 CZ PHE A 57 -3.053 13.937 -2.770 1.00 0.00 C ATOM 0 H PHE A 57 -5.506 7.370 -1.583 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.490 9.335 -0.717 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.363 9.198 -3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.059 9.631 -3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.973 10.966 -1.612 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.467 11.877 -3.899 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.354 13.335 -1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.831 14.247 -3.915 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.776 14.981 -2.774 1.00 0.00 H new ATOM 872 N ASP A 58 -6.675 9.019 -0.505 1.00 0.00 N ATOM 873 CA ASP A 58 -7.858 9.392 0.305 1.00 0.00 C ATOM 874 C ASP A 58 -7.722 8.791 1.709 1.00 0.00 C ATOM 875 O ASP A 58 -7.123 7.729 1.850 1.00 0.00 O ATOM 876 CB ASP A 58 -9.140 8.873 -0.394 1.00 0.00 C ATOM 877 CG ASP A 58 -10.418 9.020 0.452 1.00 0.00 C ATOM 878 OD1 ASP A 58 -10.933 10.153 0.571 1.00 0.00 O ATOM 879 OD2 ASP A 58 -10.906 8.012 1.005 1.00 0.00 O ATOM 0 H ASP A 58 -6.782 8.130 -0.993 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.924 10.476 0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.274 9.412 -1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.003 7.822 -0.647 1.00 0.00 H new ATOM 884 N SER A 59 -8.300 9.465 2.718 1.00 0.00 N ATOM 885 CA SER A 59 -8.203 9.068 4.135 1.00 0.00 C ATOM 886 C SER A 59 -8.644 7.608 4.374 1.00 0.00 C ATOM 887 O SER A 59 -7.948 6.845 5.046 1.00 0.00 O ATOM 888 CB SER A 59 -9.060 10.027 4.984 1.00 0.00 C ATOM 889 OG SER A 59 -8.708 11.385 4.746 1.00 0.00 O ATOM 0 H SER A 59 -8.853 10.309 2.572 1.00 0.00 H new ATOM 0 HA SER A 59 -7.155 9.131 4.429 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.115 9.877 4.753 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.929 9.795 6.041 1.00 0.00 H new ATOM 0 HG SER A 59 -9.269 11.970 5.297 1.00 0.00 H new ATOM 895 N LEU A 60 -9.785 7.222 3.779 1.00 0.00 N ATOM 896 CA LEU A 60 -10.359 5.875 3.954 1.00 0.00 C ATOM 897 C LEU A 60 -9.488 4.819 3.244 1.00 0.00 C ATOM 898 O LEU A 60 -9.326 3.704 3.740 1.00 0.00 O ATOM 899 CB LEU A 60 -11.828 5.818 3.431 1.00 0.00 C ATOM 900 CG LEU A 60 -12.915 6.573 4.286 1.00 0.00 C ATOM 901 CD1 LEU A 60 -12.701 8.105 4.303 1.00 0.00 C ATOM 902 CD2 LEU A 60 -14.339 6.235 3.789 1.00 0.00 C ATOM 0 H LEU A 60 -10.332 7.828 3.168 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.374 5.651 5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.845 6.227 2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.122 4.771 3.356 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.803 6.221 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.478 8.574 4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.724 8.331 4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.750 8.491 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.072 6.768 4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.442 6.536 2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.509 5.162 3.875 1.00 0.00 H new ATOM 914 N VAL A 61 -8.923 5.202 2.084 1.00 0.00 N ATOM 915 CA VAL A 61 -8.075 4.305 1.266 1.00 0.00 C ATOM 916 C VAL A 61 -6.711 4.054 1.944 1.00 0.00 C ATOM 917 O VAL A 61 -6.197 2.930 1.937 1.00 0.00 O ATOM 918 CB VAL A 61 -7.847 4.886 -0.184 1.00 0.00 C ATOM 919 CG1 VAL A 61 -7.079 3.887 -1.069 1.00 0.00 C ATOM 920 CG2 VAL A 61 -9.186 5.256 -0.852 1.00 0.00 C ATOM 0 H VAL A 61 -9.038 6.134 1.687 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.607 3.357 1.181 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.248 5.791 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.937 4.315 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.107 3.677 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.648 2.961 -1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.997 5.653 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.813 4.367 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.696 6.009 -0.252 1.00 0.00 H new ATOM 930 N VAL A 62 -6.145 5.121 2.533 1.00 0.00 N ATOM 931 CA VAL A 62 -4.843 5.085 3.224 1.00 0.00 C ATOM 932 C VAL A 62 -4.954 4.276 4.532 1.00 0.00 C ATOM 933 O VAL A 62 -4.041 3.512 4.873 1.00 0.00 O ATOM 934 CB VAL A 62 -4.317 6.550 3.509 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.106 6.566 4.466 1.00 0.00 C ATOM 936 CG2 VAL A 62 -3.966 7.275 2.185 1.00 0.00 C ATOM 0 H VAL A 62 -6.582 6.042 2.543 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.120 4.591 2.574 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.128 7.085 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.784 7.595 4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.390 6.120 5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.288 5.995 4.027 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.607 8.280 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.189 6.719 1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.855 7.337 1.557 1.00 0.00 H new ATOM 946 N SER A 63 -6.080 4.455 5.244 1.00 0.00 N ATOM 947 CA SER A 63 -6.375 3.703 6.471 1.00 0.00 C ATOM 948 C SER A 63 -6.532 2.213 6.155 1.00 0.00 C ATOM 949 O SER A 63 -5.947 1.377 6.837 1.00 0.00 O ATOM 950 CB SER A 63 -7.651 4.239 7.151 1.00 0.00 C ATOM 951 OG SER A 63 -7.930 3.536 8.356 1.00 0.00 O ATOM 0 H SER A 63 -6.807 5.122 4.985 1.00 0.00 H new ATOM 0 HA SER A 63 -5.540 3.833 7.159 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.532 5.301 7.366 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.496 4.145 6.469 1.00 0.00 H new ATOM 0 HG SER A 63 -8.743 3.899 8.765 1.00 0.00 H new ATOM 957 N GLU A 64 -7.304 1.911 5.089 1.00 0.00 N ATOM 958 CA GLU A 64 -7.571 0.530 4.646 1.00 0.00 C ATOM 959 C GLU A 64 -6.261 -0.168 4.230 1.00 0.00 C ATOM 960 O GLU A 64 -6.011 -1.324 4.607 1.00 0.00 O ATOM 961 CB GLU A 64 -8.599 0.531 3.487 1.00 0.00 C ATOM 962 CG GLU A 64 -9.003 -0.871 2.981 1.00 0.00 C ATOM 963 CD GLU A 64 -10.032 -0.838 1.841 1.00 0.00 C ATOM 964 OE1 GLU A 64 -9.674 -0.430 0.712 1.00 0.00 O ATOM 965 OE2 GLU A 64 -11.199 -1.241 2.056 1.00 0.00 O ATOM 0 H GLU A 64 -7.759 2.619 4.513 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.997 -0.031 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.496 1.056 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.185 1.098 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.111 -1.396 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.412 -1.445 3.813 1.00 0.00 H new ATOM 972 N LEU A 65 -5.421 0.570 3.486 1.00 0.00 N ATOM 973 CA LEU A 65 -4.071 0.127 3.110 1.00 0.00 C ATOM 974 C LEU A 65 -3.266 -0.234 4.373 1.00 0.00 C ATOM 975 O LEU A 65 -2.716 -1.328 4.465 1.00 0.00 O ATOM 976 CB LEU A 65 -3.339 1.238 2.308 1.00 0.00 C ATOM 977 CG LEU A 65 -1.867 0.921 1.878 1.00 0.00 C ATOM 978 CD1 LEU A 65 -1.798 -0.232 0.853 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.151 2.184 1.353 1.00 0.00 C ATOM 0 H LEU A 65 -5.661 1.494 3.128 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.156 -0.757 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.920 1.453 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.333 2.147 2.909 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.339 0.586 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.758 -0.417 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.226 -1.134 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.361 0.040 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.131 1.930 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.688 2.574 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.127 2.941 2.137 1.00 0.00 H new ATOM 991 N SER A 66 -3.283 0.685 5.360 1.00 0.00 N ATOM 992 CA SER A 66 -2.558 0.544 6.633 1.00 0.00 C ATOM 993 C SER A 66 -3.105 -0.622 7.487 1.00 0.00 C ATOM 994 O SER A 66 -2.383 -1.130 8.338 1.00 0.00 O ATOM 995 CB SER A 66 -2.616 1.871 7.428 1.00 0.00 C ATOM 996 OG SER A 66 -1.878 1.802 8.645 1.00 0.00 O ATOM 0 H SER A 66 -3.809 1.556 5.291 1.00 0.00 H new ATOM 0 HA SER A 66 -1.520 0.311 6.397 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.222 2.679 6.812 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.655 2.115 7.649 1.00 0.00 H new ATOM 0 HG SER A 66 -1.940 2.660 9.114 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.377 -1.033 7.255 1.00 0.00 N ATOM 1003 CA LEU A 67 -4.974 -2.204 7.941 1.00 0.00 C ATOM 1004 C LEU A 67 -4.277 -3.498 7.477 1.00 0.00 C ATOM 1005 O LEU A 67 -3.804 -4.282 8.303 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.508 -2.298 7.686 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.371 -1.094 8.184 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -8.865 -1.286 7.857 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -7.174 -0.827 9.692 1.00 0.00 C ATOM 0 H LEU A 67 -5.007 -0.571 6.599 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.824 -2.077 9.013 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.670 -2.414 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.879 -3.205 8.164 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.019 -0.216 7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.430 -0.427 8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.993 -1.375 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.230 -2.192 8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.792 0.018 9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.464 -1.711 10.259 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.126 -0.599 9.887 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.203 -3.691 6.140 1.00 0.00 N ATOM 1022 CA LYS A 68 -3.543 -4.877 5.542 1.00 0.00 C ATOM 1023 C LYS A 68 -2.003 -4.789 5.669 1.00 0.00 C ATOM 1024 O LYS A 68 -1.324 -5.818 5.712 1.00 0.00 O ATOM 1025 CB LYS A 68 -3.987 -5.093 4.054 1.00 0.00 C ATOM 1026 CG LYS A 68 -5.309 -5.900 3.860 1.00 0.00 C ATOM 1027 CD LYS A 68 -6.584 -5.183 4.392 1.00 0.00 C ATOM 1028 CE LYS A 68 -7.034 -3.997 3.512 1.00 0.00 C ATOM 1029 NZ LYS A 68 -7.450 -4.411 2.150 1.00 0.00 N ATOM 0 H LYS A 68 -4.591 -3.043 5.455 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.868 -5.751 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.104 -4.117 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.186 -5.609 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.441 -6.109 2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.211 -6.862 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.397 -5.906 4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.394 -4.824 5.403 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.864 -3.484 3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.217 -3.279 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.966 -3.819 1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.197 -5.408 1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.479 -4.296 2.051 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.458 -3.561 5.755 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.022 -3.351 6.000 1.00 0.00 C ATOM 1045 C LEU A 69 0.339 -3.809 7.422 1.00 0.00 C ATOM 1046 O LEU A 69 1.322 -4.508 7.609 1.00 0.00 O ATOM 1047 CB LEU A 69 0.391 -1.866 5.793 1.00 0.00 C ATOM 1048 CG LEU A 69 0.461 -1.354 4.323 1.00 0.00 C ATOM 1049 CD1 LEU A 69 0.991 0.099 4.255 1.00 0.00 C ATOM 1050 CD2 LEU A 69 1.307 -2.295 3.445 1.00 0.00 C ATOM 0 H LEU A 69 -1.994 -2.698 5.658 1.00 0.00 H new ATOM 0 HA LEU A 69 0.530 -3.948 5.274 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.314 -1.238 6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.369 -1.719 6.251 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.555 -1.353 3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.027 0.425 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.327 0.755 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.992 0.141 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.337 -1.912 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.321 -2.350 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.863 -3.290 3.445 1.00 0.00 H new ATOM 1062 N ARG A 70 -0.485 -3.401 8.399 1.00 0.00 N ATOM 1063 CA ARG A 70 -0.319 -3.758 9.824 1.00 0.00 C ATOM 1064 C ARG A 70 -0.457 -5.272 10.018 1.00 0.00 C ATOM 1065 O ARG A 70 0.310 -5.881 10.767 1.00 0.00 O ATOM 1066 CB ARG A 70 -1.364 -2.964 10.675 1.00 0.00 C ATOM 1067 CG ARG A 70 -1.381 -3.203 12.217 1.00 0.00 C ATOM 1068 CD ARG A 70 -2.230 -4.417 12.657 1.00 0.00 C ATOM 1069 NE ARG A 70 -2.558 -4.386 14.091 1.00 0.00 N ATOM 1070 CZ ARG A 70 -3.063 -5.413 14.791 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -3.160 -6.626 14.260 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -3.438 -5.229 16.054 1.00 0.00 N ATOM 0 H ARG A 70 -1.296 -2.807 8.224 1.00 0.00 H new ATOM 0 HA ARG A 70 0.681 -3.484 10.161 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.197 -1.901 10.503 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.356 -3.197 10.289 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.357 -3.344 12.563 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.763 -2.308 12.709 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.153 -4.440 12.077 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -1.689 -5.336 12.431 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.388 -3.514 14.593 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.848 -6.790 13.303 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.547 -7.394 14.809 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.341 -4.310 16.486 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.823 -6.007 16.590 1.00 0.00 H new ATOM 1086 N LYS A 71 -1.447 -5.856 9.327 1.00 0.00 N ATOM 1087 CA LYS A 71 -1.806 -7.269 9.482 1.00 0.00 C ATOM 1088 C LYS A 71 -0.713 -8.196 8.912 1.00 0.00 C ATOM 1089 O LYS A 71 -0.309 -9.171 9.559 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.182 -7.541 8.809 1.00 0.00 C ATOM 1091 CG LYS A 71 -3.694 -8.999 8.933 1.00 0.00 C ATOM 1092 CD LYS A 71 -3.804 -9.487 10.400 1.00 0.00 C ATOM 1093 CE LYS A 71 -4.194 -10.974 10.512 1.00 0.00 C ATOM 1094 NZ LYS A 71 -4.168 -11.453 11.922 1.00 0.00 N ATOM 0 H LYS A 71 -2.020 -5.359 8.645 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.887 -7.489 10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.923 -6.873 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.109 -7.286 7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.672 -9.075 8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.022 -9.661 8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.850 -9.328 10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.544 -8.882 10.924 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.192 -11.119 10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.510 -11.574 9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.436 -12.457 11.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.210 -11.339 12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.840 -10.898 12.490 1.00 0.00 H new ATOM 1108 N GLU A 72 -0.237 -7.874 7.701 1.00 0.00 N ATOM 1109 CA GLU A 72 0.626 -8.779 6.917 1.00 0.00 C ATOM 1110 C GLU A 72 2.113 -8.388 7.024 1.00 0.00 C ATOM 1111 O GLU A 72 2.969 -9.237 7.303 1.00 0.00 O ATOM 1112 CB GLU A 72 0.147 -8.789 5.445 1.00 0.00 C ATOM 1113 CG GLU A 72 -1.368 -9.084 5.302 1.00 0.00 C ATOM 1114 CD GLU A 72 -1.818 -9.232 3.851 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -2.054 -8.207 3.175 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -1.903 -10.382 3.359 1.00 0.00 O ATOM 0 H GLU A 72 -0.435 -6.987 7.237 1.00 0.00 H new ATOM 0 HA GLU A 72 0.543 -9.786 7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.368 -7.823 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.711 -9.539 4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.606 -9.999 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.934 -8.279 5.771 1.00 0.00 H new ATOM 1123 N PHE A 73 2.408 -7.104 6.806 1.00 0.00 N ATOM 1124 CA PHE A 73 3.794 -6.585 6.747 1.00 0.00 C ATOM 1125 C PHE A 73 4.235 -5.960 8.089 1.00 0.00 C ATOM 1126 O PHE A 73 5.420 -5.666 8.275 1.00 0.00 O ATOM 1127 CB PHE A 73 3.898 -5.546 5.606 1.00 0.00 C ATOM 1128 CG PHE A 73 3.502 -6.090 4.228 1.00 0.00 C ATOM 1129 CD1 PHE A 73 4.431 -6.764 3.436 1.00 0.00 C ATOM 1130 CD2 PHE A 73 2.208 -5.921 3.729 1.00 0.00 C ATOM 1131 CE1 PHE A 73 4.082 -7.251 2.193 1.00 0.00 C ATOM 1132 CE2 PHE A 73 1.861 -6.412 2.486 1.00 0.00 C ATOM 1133 CZ PHE A 73 2.802 -7.074 1.718 1.00 0.00 C ATOM 0 H PHE A 73 1.697 -6.386 6.664 1.00 0.00 H new ATOM 0 HA PHE A 73 4.465 -7.421 6.550 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.262 -4.694 5.845 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.922 -5.175 5.558 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.438 -6.907 3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.471 -5.400 4.322 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.813 -7.771 1.592 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.856 -6.279 2.114 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.532 -7.453 0.743 1.00 0.00 H new ATOM 1143 N GLY A 74 3.268 -5.753 9.005 1.00 0.00 N ATOM 1144 CA GLY A 74 3.522 -5.123 10.309 1.00 0.00 C ATOM 1145 C GLY A 74 3.682 -3.597 10.244 1.00 0.00 C ATOM 1146 O GLY A 74 4.050 -2.972 11.243 1.00 0.00 O ATOM 0 H GLY A 74 2.294 -6.018 8.859 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.700 -5.364 10.984 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.425 -5.555 10.740 1.00 0.00 H new ATOM 1150 N VAL A 75 3.399 -3.002 9.071 1.00 0.00 N ATOM 1151 CA VAL A 75 3.616 -1.562 8.817 1.00 0.00 C ATOM 1152 C VAL A 75 2.383 -0.736 9.276 1.00 0.00 C ATOM 1153 O VAL A 75 1.320 -0.792 8.652 1.00 0.00 O ATOM 1154 CB VAL A 75 3.920 -1.312 7.284 1.00 0.00 C ATOM 1155 CG1 VAL A 75 4.239 0.169 6.983 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.059 -2.232 6.780 1.00 0.00 C ATOM 0 H VAL A 75 3.013 -3.504 8.271 1.00 0.00 H new ATOM 0 HA VAL A 75 4.480 -1.234 9.395 1.00 0.00 H new ATOM 0 HB VAL A 75 3.009 -1.563 6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.440 0.289 5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.387 0.789 7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.115 0.476 7.555 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.244 -2.036 5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.966 -2.033 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.769 -3.275 6.911 1.00 0.00 H new ATOM 1166 N THR A 76 2.546 0.010 10.381 1.00 0.00 N ATOM 1167 CA THR A 76 1.502 0.892 10.944 1.00 0.00 C ATOM 1168 C THR A 76 2.162 2.086 11.668 1.00 0.00 C ATOM 1169 O THR A 76 3.381 2.076 11.914 1.00 0.00 O ATOM 1170 CB THR A 76 0.540 0.114 11.909 1.00 0.00 C ATOM 1171 OG1 THR A 76 -0.515 0.975 12.381 1.00 0.00 O ATOM 1172 CG2 THR A 76 1.284 -0.503 13.114 1.00 0.00 C ATOM 0 H THR A 76 3.414 0.020 10.916 1.00 0.00 H new ATOM 0 HA THR A 76 0.893 1.266 10.121 1.00 0.00 H new ATOM 0 HB THR A 76 0.113 -0.704 11.329 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.105 0.471 12.980 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.573 -1.030 13.750 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.039 -1.203 12.756 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.767 0.288 13.688 1.00 0.00 H new ATOM 1180 N GLY A 77 1.351 3.114 12.003 1.00 0.00 N ATOM 1181 CA GLY A 77 1.861 4.370 12.572 1.00 0.00 C ATOM 1182 C GLY A 77 2.569 5.230 11.523 1.00 0.00 C ATOM 1183 O GLY A 77 3.398 6.084 11.858 1.00 0.00 O ATOM 0 H GLY A 77 0.338 3.093 11.886 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.034 4.934 13.005 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.553 4.145 13.384 1.00 0.00 H new ATOM 1187 N VAL A 78 2.198 5.014 10.245 1.00 0.00 N ATOM 1188 CA VAL A 78 2.865 5.616 9.065 1.00 0.00 C ATOM 1189 C VAL A 78 1.844 6.351 8.168 1.00 0.00 C ATOM 1190 O VAL A 78 2.141 6.644 7.014 1.00 0.00 O ATOM 1191 CB VAL A 78 3.614 4.499 8.225 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.784 3.876 9.023 1.00 0.00 C ATOM 1193 CG2 VAL A 78 2.623 3.402 7.757 1.00 0.00 C ATOM 0 H VAL A 78 1.416 4.408 9.996 1.00 0.00 H new ATOM 0 HA VAL A 78 3.595 6.342 9.425 1.00 0.00 H new ATOM 0 HB VAL A 78 4.036 4.980 7.343 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.274 3.115 8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.503 4.653 9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.400 3.420 9.936 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.160 2.647 7.183 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.160 2.935 8.626 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.851 3.852 7.132 1.00 0.00 H new ATOM 1203 N ASP A 79 0.663 6.666 8.731 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.482 7.285 8.005 1.00 0.00 C ATOM 1205 C ASP A 79 -0.088 8.558 7.217 1.00 0.00 C ATOM 1206 O ASP A 79 -0.537 8.765 6.078 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.600 7.614 9.037 1.00 0.00 C ATOM 1208 CG ASP A 79 -2.815 8.365 8.453 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -3.455 7.838 7.525 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -3.122 9.485 8.917 1.00 0.00 O ATOM 0 H ASP A 79 0.466 6.499 9.718 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.835 6.569 7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.947 6.683 9.486 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.170 8.214 9.839 1.00 0.00 H new ATOM 1215 N ASP A 80 0.758 9.385 7.842 1.00 0.00 N ATOM 1216 CA ASP A 80 1.219 10.674 7.283 1.00 0.00 C ATOM 1217 C ASP A 80 2.162 10.443 6.094 1.00 0.00 C ATOM 1218 O ASP A 80 2.098 11.147 5.081 1.00 0.00 O ATOM 1219 CB ASP A 80 1.935 11.491 8.387 1.00 0.00 C ATOM 1220 CG ASP A 80 1.081 11.626 9.662 1.00 0.00 C ATOM 1221 OD1 ASP A 80 1.061 10.666 10.470 1.00 0.00 O ATOM 1222 OD2 ASP A 80 0.418 12.663 9.856 1.00 0.00 O ATOM 0 H ASP A 80 1.150 9.181 8.761 1.00 0.00 H new ATOM 0 HA ASP A 80 0.354 11.233 6.926 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.881 11.010 8.636 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.173 12.484 8.005 1.00 0.00 H new ATOM 1227 N GLU A 81 3.013 9.425 6.245 1.00 0.00 N ATOM 1228 CA GLU A 81 3.995 9.006 5.231 1.00 0.00 C ATOM 1229 C GLU A 81 3.276 8.357 4.017 1.00 0.00 C ATOM 1230 O GLU A 81 3.712 8.510 2.872 1.00 0.00 O ATOM 1231 CB GLU A 81 4.991 8.023 5.905 1.00 0.00 C ATOM 1232 CG GLU A 81 6.209 7.602 5.050 1.00 0.00 C ATOM 1233 CD GLU A 81 7.077 6.524 5.730 1.00 0.00 C ATOM 1234 OE1 GLU A 81 6.530 5.460 6.096 1.00 0.00 O ATOM 1235 OE2 GLU A 81 8.297 6.734 5.917 1.00 0.00 O ATOM 0 H GLU A 81 3.043 8.855 7.091 1.00 0.00 H new ATOM 0 HA GLU A 81 4.544 9.866 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.358 8.481 6.824 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.446 7.124 6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.859 7.226 4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.823 8.479 4.845 1.00 0.00 H new ATOM 1242 N LEU A 82 2.148 7.665 4.292 1.00 0.00 N ATOM 1243 CA LEU A 82 1.295 7.042 3.258 1.00 0.00 C ATOM 1244 C LEU A 82 0.482 8.108 2.492 1.00 0.00 C ATOM 1245 O LEU A 82 0.138 7.921 1.324 1.00 0.00 O ATOM 1246 CB LEU A 82 0.324 6.008 3.886 1.00 0.00 C ATOM 1247 CG LEU A 82 0.953 4.740 4.544 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.142 3.852 5.191 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.778 3.931 3.527 1.00 0.00 C ATOM 0 H LEU A 82 1.803 7.523 5.241 1.00 0.00 H new ATOM 0 HA LEU A 82 1.956 6.530 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.271 6.520 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.365 5.678 3.109 1.00 0.00 H new ATOM 0 HG LEU A 82 1.629 5.077 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.321 2.975 5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.666 4.422 5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.852 3.535 4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.202 3.055 4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.134 3.612 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.583 4.553 3.135 1.00 0.00 H new ATOM 1261 N ASP A 83 0.163 9.212 3.186 1.00 0.00 N ATOM 1262 CA ASP A 83 -0.524 10.370 2.582 1.00 0.00 C ATOM 1263 C ASP A 83 0.450 11.143 1.669 1.00 0.00 C ATOM 1264 O ASP A 83 0.037 11.721 0.657 1.00 0.00 O ATOM 1265 CB ASP A 83 -1.071 11.308 3.689 1.00 0.00 C ATOM 1266 CG ASP A 83 -1.888 12.499 3.143 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -3.104 12.334 2.905 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -1.325 13.599 2.952 1.00 0.00 O ATOM 0 H ASP A 83 0.372 9.329 4.177 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.361 10.009 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.698 10.729 4.367 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.235 11.690 4.275 1.00 0.00 H new ATOM 1273 N LEU A 84 1.743 11.141 2.052 1.00 0.00 N ATOM 1274 CA LEU A 84 2.817 11.840 1.314 1.00 0.00 C ATOM 1275 C LEU A 84 3.143 11.098 -0.011 1.00 0.00 C ATOM 1276 O LEU A 84 3.725 11.688 -0.922 1.00 0.00 O ATOM 1277 CB LEU A 84 4.068 11.979 2.256 1.00 0.00 C ATOM 1278 CG LEU A 84 5.253 12.938 1.828 1.00 0.00 C ATOM 1279 CD1 LEU A 84 6.262 12.273 0.866 1.00 0.00 C ATOM 1280 CD2 LEU A 84 4.722 14.259 1.237 1.00 0.00 C ATOM 0 H LEU A 84 2.074 10.653 2.885 1.00 0.00 H new ATOM 0 HA LEU A 84 2.493 12.841 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.710 12.314 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.486 10.982 2.395 1.00 0.00 H new ATOM 0 HG LEU A 84 5.800 13.161 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.047 12.985 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.704 11.401 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.747 11.963 -0.043 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.561 14.894 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.115 14.046 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.114 14.772 1.982 1.00 0.00 H new ATOM 1292 N LEU A 85 2.726 9.817 -0.115 1.00 0.00 N ATOM 1293 CA LEU A 85 2.910 9.001 -1.336 1.00 0.00 C ATOM 1294 C LEU A 85 2.250 9.652 -2.565 1.00 0.00 C ATOM 1295 O LEU A 85 1.093 10.090 -2.504 1.00 0.00 O ATOM 1296 CB LEU A 85 2.328 7.584 -1.150 1.00 0.00 C ATOM 1297 CG LEU A 85 3.054 6.688 -0.116 1.00 0.00 C ATOM 1298 CD1 LEU A 85 2.304 5.360 0.077 1.00 0.00 C ATOM 1299 CD2 LEU A 85 4.520 6.446 -0.526 1.00 0.00 C ATOM 0 H LEU A 85 2.254 9.321 0.641 1.00 0.00 H new ATOM 0 HA LEU A 85 3.985 8.936 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.284 7.677 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.341 7.077 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 85 3.060 7.211 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.832 4.747 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.294 5.561 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.254 4.829 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.006 5.814 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.549 5.952 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.043 7.400 -0.588 1.00 0.00 H new ATOM 1311 N GLU A 86 3.003 9.699 -3.666 1.00 0.00 N ATOM 1312 CA GLU A 86 2.530 10.234 -4.945 1.00 0.00 C ATOM 1313 C GLU A 86 2.790 9.209 -6.076 1.00 0.00 C ATOM 1314 O GLU A 86 2.350 9.417 -7.206 1.00 0.00 O ATOM 1315 CB GLU A 86 3.235 11.589 -5.227 1.00 0.00 C ATOM 1316 CG GLU A 86 2.728 12.347 -6.473 1.00 0.00 C ATOM 1317 CD GLU A 86 3.526 13.623 -6.773 1.00 0.00 C ATOM 1318 OE1 GLU A 86 4.719 13.511 -7.134 1.00 0.00 O ATOM 1319 OE2 GLU A 86 2.974 14.737 -6.655 1.00 0.00 O ATOM 0 H GLU A 86 3.966 9.364 -3.695 1.00 0.00 H new ATOM 0 HA GLU A 86 1.455 10.410 -4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.113 12.232 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.304 11.407 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.776 11.685 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.679 12.608 -6.330 1.00 0.00 H new ATOM 1326 N THR A 87 3.506 8.085 -5.775 1.00 0.00 N ATOM 1327 CA THR A 87 3.752 6.992 -6.756 1.00 0.00 C ATOM 1328 C THR A 87 3.638 5.603 -6.092 1.00 0.00 C ATOM 1329 O THR A 87 3.876 5.441 -4.877 1.00 0.00 O ATOM 1330 CB THR A 87 5.151 7.106 -7.468 1.00 0.00 C ATOM 1331 OG1 THR A 87 6.196 7.106 -6.492 1.00 0.00 O ATOM 1332 CG2 THR A 87 5.280 8.366 -8.342 1.00 0.00 C ATOM 0 H THR A 87 3.922 7.916 -4.859 1.00 0.00 H new ATOM 0 HA THR A 87 2.977 7.103 -7.515 1.00 0.00 H new ATOM 0 HB THR A 87 5.237 6.241 -8.125 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.064 7.175 -6.942 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.266 8.388 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.514 8.351 -9.118 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.151 9.253 -7.722 1.00 0.00 H new ATOM 1340 N VAL A 88 3.307 4.602 -6.932 1.00 0.00 N ATOM 1341 CA VAL A 88 3.131 3.197 -6.511 1.00 0.00 C ATOM 1342 C VAL A 88 4.489 2.603 -6.100 1.00 0.00 C ATOM 1343 O VAL A 88 4.589 1.873 -5.113 1.00 0.00 O ATOM 1344 CB VAL A 88 2.522 2.320 -7.677 1.00 0.00 C ATOM 1345 CG1 VAL A 88 1.999 0.959 -7.175 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.440 3.083 -8.459 1.00 0.00 C ATOM 0 H VAL A 88 3.153 4.747 -7.930 1.00 0.00 H new ATOM 0 HA VAL A 88 2.442 3.186 -5.667 1.00 0.00 H new ATOM 0 HB VAL A 88 3.340 2.111 -8.367 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.591 0.394 -8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.818 0.398 -6.724 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.218 1.121 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.047 2.446 -9.251 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.632 3.363 -7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.874 3.982 -8.898 1.00 0.00 H new ATOM 1356 N ASP A 89 5.526 2.948 -6.890 1.00 0.00 N ATOM 1357 CA ASP A 89 6.904 2.461 -6.702 1.00 0.00 C ATOM 1358 C ASP A 89 7.487 2.973 -5.372 1.00 0.00 C ATOM 1359 O ASP A 89 8.318 2.304 -4.746 1.00 0.00 O ATOM 1360 CB ASP A 89 7.784 2.896 -7.908 1.00 0.00 C ATOM 1361 CG ASP A 89 9.097 2.097 -8.034 1.00 0.00 C ATOM 1362 OD1 ASP A 89 10.110 2.488 -7.420 1.00 0.00 O ATOM 1363 OD2 ASP A 89 9.110 1.062 -8.751 1.00 0.00 O ATOM 0 H ASP A 89 5.427 3.580 -7.685 1.00 0.00 H new ATOM 0 HA ASP A 89 6.893 1.372 -6.657 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.209 2.781 -8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.021 3.955 -7.811 1.00 0.00 H new ATOM 1368 N GLU A 90 7.024 4.169 -4.949 1.00 0.00 N ATOM 1369 CA GLU A 90 7.397 4.762 -3.657 1.00 0.00 C ATOM 1370 C GLU A 90 6.795 3.942 -2.500 1.00 0.00 C ATOM 1371 O GLU A 90 7.466 3.720 -1.494 1.00 0.00 O ATOM 1372 CB GLU A 90 6.921 6.237 -3.568 1.00 0.00 C ATOM 1373 CG GLU A 90 7.523 7.044 -2.398 1.00 0.00 C ATOM 1374 CD GLU A 90 9.026 7.334 -2.568 1.00 0.00 C ATOM 1375 OE1 GLU A 90 9.372 8.332 -3.241 1.00 0.00 O ATOM 1376 OE2 GLU A 90 9.866 6.574 -2.036 1.00 0.00 O ATOM 0 H GLU A 90 6.383 4.745 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 90 8.484 4.746 -3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.168 6.740 -4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.835 6.248 -3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.986 7.988 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.369 6.495 -1.469 1.00 0.00 H new ATOM 1383 N LEU A 91 5.516 3.502 -2.662 1.00 0.00 N ATOM 1384 CA LEU A 91 4.850 2.618 -1.673 1.00 0.00 C ATOM 1385 C LEU A 91 5.580 1.268 -1.559 1.00 0.00 C ATOM 1386 O LEU A 91 5.752 0.752 -0.451 1.00 0.00 O ATOM 1387 CB LEU A 91 3.356 2.375 -2.012 1.00 0.00 C ATOM 1388 CG LEU A 91 2.598 1.366 -1.071 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.587 1.831 0.406 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.170 1.108 -1.567 1.00 0.00 C ATOM 0 H LEU A 91 4.933 3.745 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 91 4.897 3.136 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.835 3.332 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.290 2.008 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 91 3.152 0.428 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.052 1.101 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.612 1.922 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.089 2.798 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.673 0.407 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.616 2.047 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.204 0.686 -2.572 1.00 0.00 H new ATOM 1402 N PHE A 92 5.994 0.702 -2.715 1.00 0.00 N ATOM 1403 CA PHE A 92 6.750 -0.567 -2.761 1.00 0.00 C ATOM 1404 C PHE A 92 8.010 -0.479 -1.873 1.00 0.00 C ATOM 1405 O PHE A 92 8.246 -1.345 -1.022 1.00 0.00 O ATOM 1406 CB PHE A 92 7.121 -0.952 -4.231 1.00 0.00 C ATOM 1407 CG PHE A 92 5.957 -1.526 -5.053 1.00 0.00 C ATOM 1408 CD1 PHE A 92 5.264 -2.636 -4.586 1.00 0.00 C ATOM 1409 CD2 PHE A 92 5.540 -0.961 -6.264 1.00 0.00 C ATOM 1410 CE1 PHE A 92 4.218 -3.169 -5.304 1.00 0.00 C ATOM 1411 CE2 PHE A 92 4.490 -1.504 -6.976 1.00 0.00 C ATOM 1412 CZ PHE A 92 3.822 -2.603 -6.488 1.00 0.00 C ATOM 0 H PHE A 92 5.815 1.108 -3.633 1.00 0.00 H new ATOM 0 HA PHE A 92 6.111 -1.357 -2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.506 -0.068 -4.739 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.929 -1.684 -4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.550 -3.086 -3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.047 -0.088 -6.647 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.704 -4.042 -4.931 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.192 -1.066 -7.917 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.989 -3.018 -7.036 1.00 0.00 H new ATOM 1422 N GLN A 93 8.771 0.611 -2.048 1.00 0.00 N ATOM 1423 CA GLN A 93 9.993 0.867 -1.270 1.00 0.00 C ATOM 1424 C GLN A 93 9.669 1.178 0.213 1.00 0.00 C ATOM 1425 O GLN A 93 10.397 0.732 1.098 1.00 0.00 O ATOM 1426 CB GLN A 93 10.790 2.016 -1.930 1.00 0.00 C ATOM 1427 CG GLN A 93 11.332 1.666 -3.340 1.00 0.00 C ATOM 1428 CD GLN A 93 12.085 2.813 -4.018 1.00 0.00 C ATOM 1429 OE1 GLN A 93 12.680 3.664 -3.359 1.00 0.00 O ATOM 1430 NE2 GLN A 93 12.083 2.837 -5.347 1.00 0.00 N ATOM 0 H GLN A 93 8.558 1.338 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 93 10.607 -0.034 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.150 2.895 -2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.627 2.284 -1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.996 0.806 -3.260 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.498 1.367 -3.975 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.581 2.119 -5.869 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.583 3.574 -5.845 1.00 0.00 H new ATOM 1439 N LEU A 94 8.566 1.916 0.460 1.00 0.00 N ATOM 1440 CA LEU A 94 8.124 2.315 1.820 1.00 0.00 C ATOM 1441 C LEU A 94 7.913 1.070 2.696 1.00 0.00 C ATOM 1442 O LEU A 94 8.505 0.939 3.778 1.00 0.00 O ATOM 1443 CB LEU A 94 6.811 3.170 1.713 1.00 0.00 C ATOM 1444 CG LEU A 94 6.205 3.797 3.035 1.00 0.00 C ATOM 1445 CD1 LEU A 94 5.288 4.990 2.700 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.404 2.776 3.893 1.00 0.00 C ATOM 0 H LEU A 94 7.952 2.255 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 94 8.894 2.924 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.004 3.987 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.043 2.542 1.262 1.00 0.00 H new ATOM 0 HG LEU A 94 7.061 4.125 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.882 5.407 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.863 5.755 2.178 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.470 4.653 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.017 3.273 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.573 2.382 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.059 1.957 4.190 1.00 0.00 H new ATOM 1458 N VAL A 95 7.059 0.171 2.196 1.00 0.00 N ATOM 1459 CA VAL A 95 6.691 -1.070 2.878 1.00 0.00 C ATOM 1460 C VAL A 95 7.927 -1.953 3.090 1.00 0.00 C ATOM 1461 O VAL A 95 8.106 -2.496 4.172 1.00 0.00 O ATOM 1462 CB VAL A 95 5.587 -1.843 2.066 1.00 0.00 C ATOM 1463 CG1 VAL A 95 5.216 -3.189 2.725 1.00 0.00 C ATOM 1464 CG2 VAL A 95 4.337 -0.955 1.899 1.00 0.00 C ATOM 0 H VAL A 95 6.599 0.288 1.293 1.00 0.00 H new ATOM 0 HA VAL A 95 6.279 -0.817 3.855 1.00 0.00 H new ATOM 0 HB VAL A 95 5.998 -2.073 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.451 -3.687 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.101 -3.823 2.782 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.834 -3.009 3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.578 -1.498 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.943 -0.693 2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.606 -0.045 1.362 1.00 0.00 H new ATOM 1474 N GLU A 96 8.781 -2.036 2.047 1.00 0.00 N ATOM 1475 CA GLU A 96 10.038 -2.813 2.068 1.00 0.00 C ATOM 1476 C GLU A 96 10.945 -2.355 3.229 1.00 0.00 C ATOM 1477 O GLU A 96 11.514 -3.189 3.938 1.00 0.00 O ATOM 1478 CB GLU A 96 10.745 -2.673 0.681 1.00 0.00 C ATOM 1479 CG GLU A 96 11.991 -3.576 0.424 1.00 0.00 C ATOM 1480 CD GLU A 96 13.305 -3.051 1.051 1.00 0.00 C ATOM 1481 OE1 GLU A 96 13.766 -1.965 0.645 1.00 0.00 O ATOM 1482 OE2 GLU A 96 13.873 -3.718 1.947 1.00 0.00 O ATOM 0 H GLU A 96 8.615 -1.561 1.160 1.00 0.00 H new ATOM 0 HA GLU A 96 9.819 -3.867 2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.010 -2.882 -0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.050 -1.634 0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.789 -4.573 0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 96 12.133 -3.680 -0.652 1.00 0.00 H new ATOM 1489 N LYS A 97 11.037 -1.029 3.435 1.00 0.00 N ATOM 1490 CA LYS A 97 11.887 -0.443 4.491 1.00 0.00 C ATOM 1491 C LYS A 97 11.375 -0.797 5.895 1.00 0.00 C ATOM 1492 O LYS A 97 12.152 -1.216 6.753 1.00 0.00 O ATOM 1493 CB LYS A 97 12.010 1.094 4.324 1.00 0.00 C ATOM 1494 CG LYS A 97 12.710 1.547 3.024 1.00 0.00 C ATOM 1495 CD LYS A 97 14.095 0.897 2.822 1.00 0.00 C ATOM 1496 CE LYS A 97 14.769 1.343 1.520 1.00 0.00 C ATOM 1497 NZ LYS A 97 15.048 2.800 1.510 1.00 0.00 N ATOM 0 H LYS A 97 10.530 -0.338 2.881 1.00 0.00 H new ATOM 0 HA LYS A 97 12.880 -0.878 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.012 1.530 4.354 1.00 0.00 H new ATOM 0 HB3 LYS A 97 12.559 1.496 5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.074 1.304 2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.823 2.631 3.038 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.738 1.150 3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.987 -0.188 2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.702 0.794 1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.128 1.091 0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.623 3.038 0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.151 3.325 1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.566 3.060 2.373 1.00 0.00 H new ATOM 1511 N HIS A 98 10.063 -0.631 6.110 1.00 0.00 N ATOM 1512 CA HIS A 98 9.417 -0.912 7.415 1.00 0.00 C ATOM 1513 C HIS A 98 9.263 -2.431 7.672 1.00 0.00 C ATOM 1514 O HIS A 98 9.055 -2.856 8.815 1.00 0.00 O ATOM 1515 CB HIS A 98 8.040 -0.203 7.495 1.00 0.00 C ATOM 1516 CG HIS A 98 8.124 1.302 7.589 1.00 0.00 C ATOM 1517 ND1 HIS A 98 8.312 1.962 8.785 1.00 0.00 N ATOM 1518 CD2 HIS A 98 8.064 2.269 6.641 1.00 0.00 C ATOM 1519 CE1 HIS A 98 8.357 3.261 8.566 1.00 0.00 C ATOM 1520 NE2 HIS A 98 8.214 3.466 7.277 1.00 0.00 N ATOM 0 H HIS A 98 9.416 -0.300 5.394 1.00 0.00 H new ATOM 0 HA HIS A 98 10.067 -0.518 8.196 1.00 0.00 H new ATOM 0 HB2 HIS A 98 7.455 -0.469 6.614 1.00 0.00 H new ATOM 0 HB3 HIS A 98 7.499 -0.581 8.363 1.00 0.00 H new ATOM 0 HD2 HIS A 98 7.924 2.120 5.581 1.00 0.00 H new ATOM 0 HE1 HIS A 98 8.489 4.025 9.318 1.00 0.00 H new ATOM 0 HE2 HIS A 98 8.215 4.379 6.822 1.00 0.00 H new ATOM 1529 N ARG A 99 9.352 -3.232 6.600 1.00 0.00 N ATOM 1530 CA ARG A 99 9.233 -4.702 6.668 1.00 0.00 C ATOM 1531 C ARG A 99 10.583 -5.320 7.072 1.00 0.00 C ATOM 1532 O ARG A 99 10.671 -6.048 8.067 1.00 0.00 O ATOM 1533 CB ARG A 99 8.774 -5.244 5.288 1.00 0.00 C ATOM 1534 CG ARG A 99 8.548 -6.763 5.197 1.00 0.00 C ATOM 1535 CD ARG A 99 8.172 -7.207 3.771 1.00 0.00 C ATOM 1536 NE ARG A 99 7.826 -8.634 3.698 1.00 0.00 N ATOM 1537 CZ ARG A 99 7.399 -9.273 2.591 1.00 0.00 C ATOM 1538 NH1 ARG A 99 7.272 -8.634 1.435 1.00 0.00 N ATOM 1539 NH2 ARG A 99 7.092 -10.557 2.652 1.00 0.00 N ATOM 0 H ARG A 99 9.509 -2.880 5.656 1.00 0.00 H new ATOM 0 HA ARG A 99 8.493 -4.976 7.420 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.846 -4.742 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.520 -4.963 4.544 1.00 0.00 H new ATOM 0 HG2 ARG A 99 9.453 -7.283 5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.756 -7.054 5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.328 -6.613 3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 99 9.006 -7.004 3.099 1.00 0.00 H new ATOM 0 HE ARG A 99 7.916 -9.184 4.552 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.499 -7.642 1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.947 -9.135 0.608 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.179 -11.061 3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.768 -11.044 1.816 1.00 0.00 H new ATOM 1553 N ALA A 100 11.630 -4.990 6.294 1.00 0.00 N ATOM 1554 CA ALA A 100 12.988 -5.539 6.471 1.00 0.00 C ATOM 1555 C ALA A 100 13.676 -4.959 7.724 1.00 0.00 C ATOM 1556 O ALA A 100 14.565 -5.596 8.298 1.00 0.00 O ATOM 1557 CB ALA A 100 13.818 -5.278 5.207 1.00 0.00 C ATOM 0 H ALA A 100 11.558 -4.330 5.519 1.00 0.00 H new ATOM 0 HA ALA A 100 12.910 -6.615 6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 100 14.821 -5.684 5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.342 -5.759 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.882 -4.205 5.029 1.00 0.00 H new ATOM 1563 N ALA A 101 13.272 -3.741 8.121 1.00 0.00 N ATOM 1564 CA ALA A 101 13.683 -3.137 9.398 1.00 0.00 C ATOM 1565 C ALA A 101 12.497 -3.175 10.365 1.00 0.00 C ATOM 1566 O ALA A 101 11.629 -2.288 10.337 1.00 0.00 O ATOM 1567 CB ALA A 101 14.209 -1.703 9.185 1.00 0.00 C ATOM 0 H ALA A 101 12.653 -3.149 7.567 1.00 0.00 H new ATOM 0 HA ALA A 101 14.505 -3.707 9.830 1.00 0.00 H new ATOM 0 HB1 ALA A 101 14.506 -1.278 10.144 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.069 -1.727 8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.424 -1.089 8.744 1.00 0.00 H new ATOM 1573 N GLY A 102 12.438 -4.252 11.174 1.00 0.00 N ATOM 1574 CA GLY A 102 11.385 -4.431 12.174 1.00 0.00 C ATOM 1575 C GLY A 102 11.563 -3.512 13.385 1.00 0.00 C ATOM 1576 O GLY A 102 11.941 -3.962 14.473 1.00 0.00 O ATOM 0 H GLY A 102 13.117 -5.013 11.147 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.416 -4.237 11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.378 -5.469 12.508 1.00 0.00 H new ATOM 1580 N SER A 103 11.264 -2.221 13.181 1.00 0.00 N ATOM 1581 CA SER A 103 11.500 -1.161 14.166 1.00 0.00 C ATOM 1582 C SER A 103 10.582 0.041 13.827 1.00 0.00 C ATOM 1583 O SER A 103 9.617 0.308 14.580 1.00 0.00 O ATOM 1584 CB SER A 103 13.009 -0.774 14.162 1.00 0.00 C ATOM 1585 OG SER A 103 13.476 -0.524 12.842 1.00 0.00 O ATOM 1586 OXT SER A 103 10.780 0.663 12.761 1.00 0.00 O ATOM 0 H SER A 103 10.846 -1.881 12.315 1.00 0.00 H new ATOM 0 HA SER A 103 11.257 -1.500 15.173 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.161 0.113 14.777 1.00 0.00 H new ATOM 0 HB3 SER A 103 13.594 -1.577 14.611 1.00 0.00 H new ATOM 0 HG SER A 103 12.783 -0.054 12.333 1.00 0.00 H new TER 1592 SER A 103