USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 883 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 89 ASN : amide:sc= -3.27 K(o=-3.3,f=-12!) USER MOD Set 1.2: A 94 TYR OH : rot 80:sc= -0.0336 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 41:sc= 0.539 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -171:sc= -1.69 (180deg=-2.12!) USER MOD Single : A 22 ASN : amide:sc= 0.218 X(o=0.22,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= 0.843 (180deg=0.028) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -5.89! C(o=-8.2!,f=-5.9!) USER MOD Single : A 34 ASN : amide:sc= -0.977! C(o=-0.98!,f=-3!) USER MOD Single : A 35 MET CE :methyl -165:sc= -0.0469 (180deg=-0.114) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= -0.135 (180deg=-0.754) USER MOD Single : A 39 THR OG1 : rot 178:sc= 0.523 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.13) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.0637 F(o=-0.83,f=-0.064) USER MOD Single : A 69 THR OG1 : rot -25:sc= 0.199 USER MOD Single : A 71 MET CE :methyl -142:sc= -0.251 (180deg=-2.21) USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= -2.47! (180deg=-4.2) USER MOD Single : A 76 GLN : amide:sc= -3.84! C(o=-3.8!,f=-8.8!) USER MOD Single : A 77 LYS NZ :NH3+ -127:sc= -1.52 (180deg=-3.85!) USER MOD Single : A 79 GLN : amide:sc= -0.494 K(o=-0.49,f=-1.8!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= 0.0151 (180deg=0.00196) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.98 K(o=-2,f=-7.6!) USER MOD Single : A 96 MET CE :methyl 145:sc= -4.05! (180deg=-6.82!) USER MOD Single : A 98 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 103 HIS : no HD1:sc=-0.00889 X(o=-0.0089,f=-0.0089) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -4:sc= 0.995 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.305 30.309 -1.553 1.00 0.00 N ATOM 2 CA GLY A 1 -7.741 30.500 -1.477 1.00 0.00 C ATOM 3 C GLY A 1 -8.414 29.491 -0.568 1.00 0.00 C ATOM 4 O GLY A 1 -9.139 28.612 -1.033 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.893 31.023 -2.186 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.891 30.407 -0.604 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.100 29.359 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.952 31.507 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.168 30.424 -2.477 1.00 0.00 H new ATOM 8 N SER A 2 -8.172 29.617 0.733 1.00 0.00 N ATOM 9 CA SER A 2 -8.755 28.705 1.710 1.00 0.00 C ATOM 10 C SER A 2 -9.421 29.477 2.845 1.00 0.00 C ATOM 11 O SER A 2 -8.747 30.004 3.731 1.00 0.00 O ATOM 12 CB SER A 2 -7.681 27.773 2.274 1.00 0.00 C ATOM 13 OG SER A 2 -7.226 26.863 1.288 1.00 0.00 O ATOM 0 H SER A 2 -7.577 30.341 1.135 1.00 0.00 H new ATOM 0 HA SER A 2 -9.515 28.109 1.205 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.842 28.362 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.083 27.222 3.124 1.00 0.00 H new ATOM 0 HG SER A 2 -6.539 26.280 1.673 1.00 0.00 H new ATOM 19 N SER A 3 -10.748 29.541 2.810 1.00 0.00 N ATOM 20 CA SER A 3 -11.506 30.252 3.833 1.00 0.00 C ATOM 21 C SER A 3 -12.180 29.273 4.790 1.00 0.00 C ATOM 22 O SER A 3 -13.200 28.669 4.461 1.00 0.00 O ATOM 23 CB SER A 3 -12.558 31.154 3.183 1.00 0.00 C ATOM 24 OG SER A 3 -13.395 30.414 2.312 1.00 0.00 O ATOM 0 H SER A 3 -11.320 29.109 2.085 1.00 0.00 H new ATOM 0 HA SER A 3 -10.811 30.868 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.162 31.629 3.956 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.065 31.952 2.628 1.00 0.00 H new ATOM 0 HG SER A 3 -13.613 29.551 2.722 1.00 0.00 H new ATOM 30 N GLY A 4 -11.600 29.121 5.976 1.00 0.00 N ATOM 31 CA GLY A 4 -12.156 28.214 6.963 1.00 0.00 C ATOM 32 C GLY A 4 -12.036 26.761 6.549 1.00 0.00 C ATOM 33 O GLY A 4 -12.939 26.212 5.917 1.00 0.00 O ATOM 0 H GLY A 4 -10.755 29.610 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.645 28.361 7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.206 28.457 7.124 1.00 0.00 H new ATOM 37 N SER A 5 -10.917 26.137 6.903 1.00 0.00 N ATOM 38 CA SER A 5 -10.679 24.740 6.558 1.00 0.00 C ATOM 39 C SER A 5 -11.414 23.811 7.520 1.00 0.00 C ATOM 40 O SER A 5 -11.382 24.006 8.735 1.00 0.00 O ATOM 41 CB SER A 5 -9.180 24.435 6.582 1.00 0.00 C ATOM 42 OG SER A 5 -8.934 23.065 6.316 1.00 0.00 O ATOM 0 H SER A 5 -10.161 26.576 7.428 1.00 0.00 H new ATOM 0 HA SER A 5 -11.061 24.569 5.551 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.669 25.050 5.841 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.767 24.699 7.556 1.00 0.00 H new ATOM 0 HG SER A 5 -7.969 22.896 6.335 1.00 0.00 H new ATOM 48 N SER A 6 -12.075 22.799 6.967 1.00 0.00 N ATOM 49 CA SER A 6 -12.821 21.841 7.774 1.00 0.00 C ATOM 50 C SER A 6 -12.141 20.476 7.764 1.00 0.00 C ATOM 51 O SER A 6 -11.675 20.009 6.725 1.00 0.00 O ATOM 52 CB SER A 6 -14.255 21.713 7.255 1.00 0.00 C ATOM 53 OG SER A 6 -14.301 20.936 6.071 1.00 0.00 O ATOM 0 H SER A 6 -12.109 22.621 5.963 1.00 0.00 H new ATOM 0 HA SER A 6 -12.844 22.208 8.800 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.882 21.254 8.019 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.664 22.704 7.059 1.00 0.00 H new ATOM 0 HG SER A 6 -15.228 20.868 5.760 1.00 0.00 H new ATOM 59 N GLY A 7 -12.086 19.840 8.930 1.00 0.00 N ATOM 60 CA GLY A 7 -11.461 18.534 9.035 1.00 0.00 C ATOM 61 C GLY A 7 -11.830 17.816 10.317 1.00 0.00 C ATOM 62 O GLY A 7 -11.350 18.168 11.396 1.00 0.00 O ATOM 0 H GLY A 7 -12.463 20.206 9.804 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.757 17.923 8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.378 18.648 8.985 1.00 0.00 H new ATOM 66 N THR A 8 -12.687 16.806 10.203 1.00 0.00 N ATOM 67 CA THR A 8 -13.123 16.038 11.362 1.00 0.00 C ATOM 68 C THR A 8 -13.470 14.605 10.974 1.00 0.00 C ATOM 69 O THR A 8 -14.252 14.376 10.052 1.00 0.00 O ATOM 70 CB THR A 8 -14.346 16.686 12.038 1.00 0.00 C ATOM 71 OG1 THR A 8 -15.079 17.461 11.083 1.00 0.00 O ATOM 72 CG2 THR A 8 -13.917 17.573 13.197 1.00 0.00 C ATOM 0 H THR A 8 -13.093 16.501 9.318 1.00 0.00 H new ATOM 0 HA THR A 8 -12.291 16.029 12.066 1.00 0.00 H new ATOM 0 HB THR A 8 -14.983 15.891 12.426 1.00 0.00 H new ATOM 0 HG1 THR A 8 -15.856 17.868 11.520 1.00 0.00 H new ATOM 0 HG21 THR A 8 -14.798 18.020 13.659 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.384 16.974 13.936 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.261 18.362 12.828 1.00 0.00 H new ATOM 80 N GLU A 9 -12.885 13.646 11.684 1.00 0.00 N ATOM 81 CA GLU A 9 -13.134 12.235 11.412 1.00 0.00 C ATOM 82 C GLU A 9 -14.632 11.948 11.356 1.00 0.00 C ATOM 83 O GLU A 9 -15.096 11.178 10.516 1.00 0.00 O ATOM 84 CB GLU A 9 -12.476 11.362 12.482 1.00 0.00 C ATOM 85 CG GLU A 9 -12.187 9.945 12.019 1.00 0.00 C ATOM 86 CD GLU A 9 -11.942 8.992 13.173 1.00 0.00 C ATOM 87 OE1 GLU A 9 -10.965 9.207 13.921 1.00 0.00 O ATOM 88 OE2 GLU A 9 -12.725 8.033 13.328 1.00 0.00 O ATOM 0 H GLU A 9 -12.236 13.820 12.451 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.699 11.996 10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.543 11.830 12.797 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.125 11.324 13.357 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.026 9.583 11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.314 9.951 11.366 1.00 0.00 H new ATOM 95 N ASP A 10 -15.382 12.572 12.258 1.00 0.00 N ATOM 96 CA ASP A 10 -16.827 12.385 12.312 1.00 0.00 C ATOM 97 C ASP A 10 -17.491 12.912 11.045 1.00 0.00 C ATOM 98 O ASP A 10 -18.428 12.306 10.525 1.00 0.00 O ATOM 99 CB ASP A 10 -17.408 13.090 13.539 1.00 0.00 C ATOM 100 CG ASP A 10 -18.736 12.500 13.971 1.00 0.00 C ATOM 101 OD1 ASP A 10 -19.738 12.710 13.257 1.00 0.00 O ATOM 102 OD2 ASP A 10 -18.773 11.829 15.024 1.00 0.00 O ATOM 0 H ASP A 10 -15.013 13.212 12.962 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.028 11.316 12.388 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.698 13.022 14.363 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.539 14.149 13.318 1.00 0.00 H new ATOM 107 N SER A 11 -17.000 14.045 10.553 1.00 0.00 N ATOM 108 CA SER A 11 -17.550 14.657 9.349 1.00 0.00 C ATOM 109 C SER A 11 -16.487 14.764 8.260 1.00 0.00 C ATOM 110 O SER A 11 -16.088 15.862 7.870 1.00 0.00 O ATOM 111 CB SER A 11 -18.111 16.045 9.667 1.00 0.00 C ATOM 112 OG SER A 11 -19.474 15.969 10.046 1.00 0.00 O ATOM 0 H SER A 11 -16.223 14.558 10.969 1.00 0.00 H new ATOM 0 HA SER A 11 -18.357 14.021 8.985 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.532 16.500 10.471 1.00 0.00 H new ATOM 0 HB3 SER A 11 -18.008 16.691 8.795 1.00 0.00 H new ATOM 0 HG SER A 11 -19.809 16.868 10.246 1.00 0.00 H new ATOM 118 N LEU A 12 -16.031 13.615 7.772 1.00 0.00 N ATOM 119 CA LEU A 12 -15.014 13.577 6.728 1.00 0.00 C ATOM 120 C LEU A 12 -15.648 13.685 5.345 1.00 0.00 C ATOM 121 O LEU A 12 -16.867 13.587 5.201 1.00 0.00 O ATOM 122 CB LEU A 12 -14.200 12.286 6.828 1.00 0.00 C ATOM 123 CG LEU A 12 -12.992 12.324 7.766 1.00 0.00 C ATOM 124 CD1 LEU A 12 -12.691 10.935 8.306 1.00 0.00 C ATOM 125 CD2 LEU A 12 -11.778 12.894 7.048 1.00 0.00 C ATOM 0 H LEU A 12 -16.350 12.697 8.083 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.351 14.430 6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.864 11.486 7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.851 12.022 5.830 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.230 12.974 8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.829 10.982 8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.555 10.564 8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.473 10.262 7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.928 12.914 7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.538 12.270 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.997 13.907 6.712 1.00 0.00 H new ATOM 137 N MET A 13 -14.814 13.885 4.330 1.00 0.00 N ATOM 138 CA MET A 13 -15.293 14.003 2.958 1.00 0.00 C ATOM 139 C MET A 13 -15.424 12.629 2.308 1.00 0.00 C ATOM 140 O MET A 13 -14.598 11.739 2.511 1.00 0.00 O ATOM 141 CB MET A 13 -14.346 14.880 2.138 1.00 0.00 C ATOM 142 CG MET A 13 -14.220 14.446 0.686 1.00 0.00 C ATOM 143 SD MET A 13 -13.219 15.581 -0.293 1.00 0.00 S ATOM 144 CE MET A 13 -14.032 17.138 0.056 1.00 0.00 C ATOM 0 H MET A 13 -13.803 13.969 4.432 1.00 0.00 H new ATOM 0 HA MET A 13 -16.278 14.469 2.982 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.698 15.911 2.171 1.00 0.00 H new ATOM 0 HB3 MET A 13 -13.359 14.865 2.600 1.00 0.00 H new ATOM 0 HG2 MET A 13 -13.778 13.450 0.645 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.214 14.372 0.245 1.00 0.00 H new ATOM 0 HE1 MET A 13 -13.632 17.912 -0.599 1.00 0.00 H new ATOM 0 HE2 MET A 13 -15.103 17.036 -0.116 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.856 17.415 1.095 1.00 0.00 H new ATOM 154 N PRO A 14 -16.485 12.450 1.508 1.00 0.00 N ATOM 155 CA PRO A 14 -16.749 11.187 0.812 1.00 0.00 C ATOM 156 C PRO A 14 -15.741 10.918 -0.300 1.00 0.00 C ATOM 157 O PRO A 14 -14.752 11.636 -0.441 1.00 0.00 O ATOM 158 CB PRO A 14 -18.149 11.389 0.228 1.00 0.00 C ATOM 159 CG PRO A 14 -18.291 12.865 0.085 1.00 0.00 C ATOM 160 CD PRO A 14 -17.510 13.468 1.220 1.00 0.00 C ATOM 0 HA PRO A 14 -16.672 10.329 1.480 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.253 10.886 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.915 10.980 0.886 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -17.905 13.203 -0.877 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.339 13.163 0.131 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.062 14.421 0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.143 13.658 2.087 1.00 0.00 H new ATOM 168 N GLU A 15 -16.000 9.879 -1.088 1.00 0.00 N ATOM 169 CA GLU A 15 -15.114 9.515 -2.188 1.00 0.00 C ATOM 170 C GLU A 15 -15.518 10.235 -3.472 1.00 0.00 C ATOM 171 O GLU A 15 -14.700 10.901 -4.105 1.00 0.00 O ATOM 172 CB GLU A 15 -15.136 8.002 -2.410 1.00 0.00 C ATOM 173 CG GLU A 15 -13.932 7.482 -3.178 1.00 0.00 C ATOM 174 CD GLU A 15 -14.199 6.151 -3.852 1.00 0.00 C ATOM 175 OE1 GLU A 15 -15.331 5.951 -4.341 1.00 0.00 O ATOM 176 OE2 GLU A 15 -13.278 5.309 -3.891 1.00 0.00 O ATOM 0 H GLU A 15 -16.815 9.275 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.102 9.821 -1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.183 7.502 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.044 7.736 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.643 8.215 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.089 7.376 -2.496 1.00 0.00 H new ATOM 183 N GLU A 16 -16.785 10.093 -3.850 1.00 0.00 N ATOM 184 CA GLU A 16 -17.296 10.728 -5.059 1.00 0.00 C ATOM 185 C GLU A 16 -16.691 12.117 -5.242 1.00 0.00 C ATOM 186 O GLU A 16 -15.959 12.364 -6.200 1.00 0.00 O ATOM 187 CB GLU A 16 -18.822 10.829 -5.002 1.00 0.00 C ATOM 188 CG GLU A 16 -19.518 9.480 -4.932 1.00 0.00 C ATOM 189 CD GLU A 16 -20.921 9.577 -4.363 1.00 0.00 C ATOM 190 OE1 GLU A 16 -21.067 10.067 -3.224 1.00 0.00 O ATOM 191 OE2 GLU A 16 -21.872 9.161 -5.058 1.00 0.00 O ATOM 0 H GLU A 16 -17.475 9.545 -3.337 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.010 10.111 -5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.106 11.421 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.176 11.366 -5.882 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.564 9.047 -5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.927 8.801 -4.317 1.00 0.00 H new ATOM 198 N GLU A 17 -17.002 13.019 -4.316 1.00 0.00 N ATOM 199 CA GLU A 17 -16.490 14.382 -4.376 1.00 0.00 C ATOM 200 C GLU A 17 -14.966 14.395 -4.297 1.00 0.00 C ATOM 201 O GLU A 17 -14.297 15.041 -5.103 1.00 0.00 O ATOM 202 CB GLU A 17 -17.077 15.222 -3.240 1.00 0.00 C ATOM 203 CG GLU A 17 -18.396 15.889 -3.595 1.00 0.00 C ATOM 204 CD GLU A 17 -18.208 17.165 -4.392 1.00 0.00 C ATOM 205 OE1 GLU A 17 -17.840 17.074 -5.581 1.00 0.00 O ATOM 206 OE2 GLU A 17 -18.430 18.256 -3.825 1.00 0.00 O ATOM 0 H GLU A 17 -17.606 12.830 -3.516 1.00 0.00 H new ATOM 0 HA GLU A 17 -16.791 14.814 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.225 14.585 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.356 15.989 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.008 15.193 -4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.943 16.114 -2.680 1.00 0.00 H new ATOM 213 N PHE A 18 -14.424 13.678 -3.318 1.00 0.00 N ATOM 214 CA PHE A 18 -12.980 13.607 -3.132 1.00 0.00 C ATOM 215 C PHE A 18 -12.261 13.521 -4.475 1.00 0.00 C ATOM 216 O PHE A 18 -11.474 14.400 -4.828 1.00 0.00 O ATOM 217 CB PHE A 18 -12.614 12.399 -2.267 1.00 0.00 C ATOM 218 CG PHE A 18 -11.161 12.027 -2.339 1.00 0.00 C ATOM 219 CD1 PHE A 18 -10.224 12.682 -1.556 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.731 11.022 -3.191 1.00 0.00 C ATOM 221 CE1 PHE A 18 -8.886 12.343 -1.622 1.00 0.00 C ATOM 222 CE2 PHE A 18 -9.394 10.678 -3.261 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.471 11.338 -2.474 1.00 0.00 C ATOM 0 H PHE A 18 -14.963 13.138 -2.641 1.00 0.00 H new ATOM 0 HA PHE A 18 -12.660 14.518 -2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -12.875 12.612 -1.230 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -13.215 11.545 -2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.543 13.467 -0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -11.449 10.502 -3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.166 12.863 -1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -9.072 9.894 -3.930 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.426 11.069 -2.525 1.00 0.00 H new ATOM 233 N LEU A 19 -12.537 12.456 -5.219 1.00 0.00 N ATOM 234 CA LEU A 19 -11.918 12.253 -6.524 1.00 0.00 C ATOM 235 C LEU A 19 -11.931 13.542 -7.340 1.00 0.00 C ATOM 236 O LEU A 19 -11.016 13.804 -8.121 1.00 0.00 O ATOM 237 CB LEU A 19 -12.644 11.145 -7.289 1.00 0.00 C ATOM 238 CG LEU A 19 -12.717 9.786 -6.593 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.568 8.818 -7.400 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.320 9.220 -6.380 1.00 0.00 C ATOM 0 H LEU A 19 -13.186 11.719 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.881 11.956 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.660 11.480 -7.496 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.150 11.012 -8.251 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.185 9.923 -5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.608 7.856 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.577 9.218 -7.501 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.129 8.685 -8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.391 8.252 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.826 9.098 -7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.741 9.904 -5.760 1.00 0.00 H new ATOM 252 N ARG A 20 -12.973 14.345 -7.151 1.00 0.00 N ATOM 253 CA ARG A 20 -13.105 15.608 -7.868 1.00 0.00 C ATOM 254 C ARG A 20 -12.055 16.611 -7.399 1.00 0.00 C ATOM 255 O ARG A 20 -11.548 17.408 -8.188 1.00 0.00 O ATOM 256 CB ARG A 20 -14.506 16.188 -7.669 1.00 0.00 C ATOM 257 CG ARG A 20 -15.621 15.181 -7.898 1.00 0.00 C ATOM 258 CD ARG A 20 -16.072 15.170 -9.350 1.00 0.00 C ATOM 259 NE ARG A 20 -17.096 16.178 -9.612 1.00 0.00 N ATOM 260 CZ ARG A 20 -18.387 15.999 -9.352 1.00 0.00 C ATOM 261 NH1 ARG A 20 -18.808 14.857 -8.826 1.00 0.00 N ATOM 262 NH2 ARG A 20 -19.258 16.963 -9.618 1.00 0.00 N ATOM 0 H ARG A 20 -13.738 14.144 -6.507 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.948 15.413 -8.929 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.586 16.582 -6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.642 17.029 -8.349 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.278 14.186 -7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.468 15.421 -7.255 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.214 15.348 -9.998 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.462 14.183 -9.601 1.00 0.00 H new ATOM 0 HE ARG A 20 -16.804 17.068 -10.017 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.141 14.114 -8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.799 14.722 -8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.937 17.843 -10.023 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.249 16.825 -9.418 1.00 0.00 H new ATOM 276 N ARG A 21 -11.736 16.567 -6.109 1.00 0.00 N ATOM 277 CA ARG A 21 -10.749 17.473 -5.535 1.00 0.00 C ATOM 278 C ARG A 21 -9.338 16.913 -5.695 1.00 0.00 C ATOM 279 O ARG A 21 -8.464 17.561 -6.268 1.00 0.00 O ATOM 280 CB ARG A 21 -11.048 17.715 -4.054 1.00 0.00 C ATOM 281 CG ARG A 21 -12.069 18.814 -3.811 1.00 0.00 C ATOM 282 CD ARG A 21 -13.485 18.260 -3.769 1.00 0.00 C ATOM 283 NE ARG A 21 -14.489 19.313 -3.892 1.00 0.00 N ATOM 284 CZ ARG A 21 -14.767 20.180 -2.924 1.00 0.00 C ATOM 285 NH1 ARG A 21 -14.119 20.119 -1.769 1.00 0.00 N ATOM 286 NH2 ARG A 21 -15.694 21.110 -3.111 1.00 0.00 N ATOM 0 H ARG A 21 -12.147 15.914 -5.442 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.808 18.421 -6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.411 16.789 -3.609 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.121 17.972 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.846 19.318 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.993 19.563 -4.599 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.616 17.538 -4.575 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.636 17.723 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.005 19.387 -4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.405 19.405 -1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.334 20.786 -1.028 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.194 21.160 -3.998 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.907 21.775 -2.367 1.00 0.00 H new ATOM 300 N ASN A 22 -9.125 15.705 -5.183 1.00 0.00 N ATOM 301 CA ASN A 22 -7.821 15.058 -5.268 1.00 0.00 C ATOM 302 C ASN A 22 -7.824 13.965 -6.333 1.00 0.00 C ATOM 303 O ASN A 22 -7.896 12.777 -6.019 1.00 0.00 O ATOM 304 CB ASN A 22 -7.434 14.463 -3.912 1.00 0.00 C ATOM 305 CG ASN A 22 -7.513 15.481 -2.791 1.00 0.00 C ATOM 306 OD1 ASN A 22 -6.564 16.226 -2.547 1.00 0.00 O ATOM 307 ND2 ASN A 22 -8.648 15.516 -2.102 1.00 0.00 N ATOM 0 H ASN A 22 -9.839 15.155 -4.705 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.087 15.813 -5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.092 13.625 -3.685 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.420 14.066 -3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.759 16.180 -1.335 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.409 14.879 -2.340 1.00 0.00 H new ATOM 314 N LYS A 23 -7.746 14.376 -7.594 1.00 0.00 N ATOM 315 CA LYS A 23 -7.737 13.434 -8.707 1.00 0.00 C ATOM 316 C LYS A 23 -6.543 12.490 -8.612 1.00 0.00 C ATOM 317 O LYS A 23 -6.631 11.322 -8.987 1.00 0.00 O ATOM 318 CB LYS A 23 -7.702 14.186 -10.039 1.00 0.00 C ATOM 319 CG LYS A 23 -7.934 13.296 -11.247 1.00 0.00 C ATOM 320 CD LYS A 23 -6.637 12.679 -11.743 1.00 0.00 C ATOM 321 CE LYS A 23 -5.961 13.561 -12.781 1.00 0.00 C ATOM 322 NZ LYS A 23 -5.021 14.532 -12.157 1.00 0.00 N ATOM 0 H LYS A 23 -7.688 15.356 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.651 12.842 -8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.460 14.969 -10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.736 14.680 -10.142 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.638 12.505 -10.988 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.390 13.879 -12.047 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.962 12.523 -10.901 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.841 11.699 -12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.419 12.936 -13.491 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.719 14.102 -13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.325 14.844 -12.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.553 15.355 -11.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.528 14.076 -11.363 1.00 0.00 H new ATOM 336 N GLY A 24 -5.426 13.005 -8.106 1.00 0.00 N ATOM 337 CA GLY A 24 -4.230 12.194 -7.970 1.00 0.00 C ATOM 338 C GLY A 24 -3.426 12.126 -9.254 1.00 0.00 C ATOM 339 O GLY A 24 -3.706 12.830 -10.224 1.00 0.00 O ATOM 0 H GLY A 24 -5.328 13.969 -7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.606 12.603 -7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.511 11.185 -7.667 1.00 0.00 H new ATOM 343 N PRO A 25 -2.400 11.263 -9.268 1.00 0.00 N ATOM 344 CA PRO A 25 -2.057 10.422 -8.118 1.00 0.00 C ATOM 345 C PRO A 25 -1.488 11.230 -6.957 1.00 0.00 C ATOM 346 O PRO A 25 -1.081 12.379 -7.128 1.00 0.00 O ATOM 347 CB PRO A 25 -0.996 9.471 -8.679 1.00 0.00 C ATOM 348 CG PRO A 25 -0.389 10.211 -9.820 1.00 0.00 C ATOM 349 CD PRO A 25 -1.494 11.043 -10.409 1.00 0.00 C ATOM 0 HA PRO A 25 -2.931 9.915 -7.709 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.248 9.223 -7.925 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.441 8.532 -9.008 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.435 10.839 -9.483 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.017 9.522 -10.560 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.118 11.984 -10.811 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.995 10.525 -11.226 1.00 0.00 H new ATOM 357 N VAL A 26 -1.462 10.622 -5.775 1.00 0.00 N ATOM 358 CA VAL A 26 -0.941 11.285 -4.586 1.00 0.00 C ATOM 359 C VAL A 26 0.431 10.738 -4.208 1.00 0.00 C ATOM 360 O VAL A 26 0.623 9.525 -4.115 1.00 0.00 O ATOM 361 CB VAL A 26 -1.895 11.120 -3.388 1.00 0.00 C ATOM 362 CG1 VAL A 26 -3.255 11.727 -3.701 1.00 0.00 C ATOM 363 CG2 VAL A 26 -2.032 9.652 -3.014 1.00 0.00 C ATOM 0 H VAL A 26 -1.796 9.671 -5.616 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.853 12.344 -4.828 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.473 11.651 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.916 11.601 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.139 12.789 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.686 11.226 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.710 9.554 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.430 9.096 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.054 9.252 -2.745 1.00 0.00 H new ATOM 373 N SER A 27 1.382 11.640 -3.989 1.00 0.00 N ATOM 374 CA SER A 27 2.738 11.247 -3.624 1.00 0.00 C ATOM 375 C SER A 27 2.882 11.135 -2.109 1.00 0.00 C ATOM 376 O SER A 27 2.919 12.143 -1.402 1.00 0.00 O ATOM 377 CB SER A 27 3.749 12.258 -4.170 1.00 0.00 C ATOM 378 OG SER A 27 4.936 12.261 -3.396 1.00 0.00 O ATOM 0 H SER A 27 1.239 12.648 -4.058 1.00 0.00 H new ATOM 0 HA SER A 27 2.938 10.270 -4.064 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.987 12.016 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.308 13.255 -4.169 1.00 0.00 H new ATOM 0 HG SER A 27 5.566 12.914 -3.766 1.00 0.00 H new ATOM 384 N ILE A 28 2.962 9.903 -1.619 1.00 0.00 N ATOM 385 CA ILE A 28 3.103 9.658 -0.189 1.00 0.00 C ATOM 386 C ILE A 28 4.479 9.091 0.139 1.00 0.00 C ATOM 387 O ILE A 28 4.966 8.184 -0.536 1.00 0.00 O ATOM 388 CB ILE A 28 2.023 8.687 0.325 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.437 7.240 0.051 1.00 0.00 C ATOM 390 CG2 ILE A 28 0.683 8.993 -0.325 1.00 0.00 C ATOM 391 CD1 ILE A 28 3.299 6.641 1.140 1.00 0.00 C ATOM 0 H ILE A 28 2.932 9.059 -2.191 1.00 0.00 H new ATOM 0 HA ILE A 28 2.982 10.620 0.309 1.00 0.00 H new ATOM 0 HB ILE A 28 1.920 8.818 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.541 6.631 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.979 7.198 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.070 8.298 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.386 10.014 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.770 8.886 -1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.554 5.614 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.212 7.227 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.752 6.650 2.083 1.00 0.00 H new ATOM 403 N LYS A 29 5.102 9.629 1.182 1.00 0.00 N ATOM 404 CA LYS A 29 6.422 9.175 1.603 1.00 0.00 C ATOM 405 C LYS A 29 6.314 8.188 2.761 1.00 0.00 C ATOM 406 O LYS A 29 5.789 8.517 3.824 1.00 0.00 O ATOM 407 CB LYS A 29 7.287 10.369 2.016 1.00 0.00 C ATOM 408 CG LYS A 29 8.206 10.865 0.914 1.00 0.00 C ATOM 409 CD LYS A 29 9.155 11.938 1.419 1.00 0.00 C ATOM 410 CE LYS A 29 9.632 12.837 0.289 1.00 0.00 C ATOM 411 NZ LYS A 29 10.181 14.125 0.799 1.00 0.00 N ATOM 0 H LYS A 29 4.713 10.381 1.752 1.00 0.00 H new ATOM 0 HA LYS A 29 6.891 8.669 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.637 11.186 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.889 10.089 2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.780 10.029 0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.609 11.263 0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.655 12.540 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.014 11.469 1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.398 12.319 -0.289 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.803 13.039 -0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.495 14.710 -0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.443 14.631 1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.988 13.934 1.426 1.00 0.00 H new ATOM 425 N VAL A 30 6.815 6.975 2.547 1.00 0.00 N ATOM 426 CA VAL A 30 6.777 5.940 3.573 1.00 0.00 C ATOM 427 C VAL A 30 8.060 5.935 4.396 1.00 0.00 C ATOM 428 O VAL A 30 9.115 5.521 3.916 1.00 0.00 O ATOM 429 CB VAL A 30 6.571 4.545 2.955 1.00 0.00 C ATOM 430 CG1 VAL A 30 6.554 3.478 4.039 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.288 4.508 2.139 1.00 0.00 C ATOM 0 H VAL A 30 7.252 6.685 1.672 1.00 0.00 H new ATOM 0 HA VAL A 30 5.933 6.169 4.223 1.00 0.00 H new ATOM 0 HB VAL A 30 7.406 4.336 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.407 2.499 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.502 3.490 4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.740 3.680 4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.158 3.515 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.440 4.738 2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.345 5.245 1.338 1.00 0.00 H new ATOM 441 N GLN A 31 7.962 6.398 5.638 1.00 0.00 N ATOM 442 CA GLN A 31 9.116 6.447 6.528 1.00 0.00 C ATOM 443 C GLN A 31 9.303 5.117 7.251 1.00 0.00 C ATOM 444 O GLN A 31 8.621 4.833 8.236 1.00 0.00 O ATOM 445 CB GLN A 31 8.953 7.576 7.547 1.00 0.00 C ATOM 446 CG GLN A 31 9.559 8.896 7.095 1.00 0.00 C ATOM 447 CD GLN A 31 8.585 9.742 6.298 1.00 0.00 C ATOM 448 OE1 GLN A 31 8.035 9.168 5.234 1.00 0.00 O flip ATOM 449 NE2 GLN A 31 8.331 10.898 6.634 1.00 0.00 N flip ATOM 0 H GLN A 31 7.096 6.744 6.051 1.00 0.00 H new ATOM 0 HA GLN A 31 10.002 6.638 5.923 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.892 7.723 7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 31 9.417 7.276 8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.891 9.457 7.968 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.443 8.697 6.489 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.777 11.299 7.459 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.675 11.455 6.087 1.00 0.00 H new ATOM 458 N VAL A 32 10.230 4.305 6.755 1.00 0.00 N ATOM 459 CA VAL A 32 10.507 3.005 7.354 1.00 0.00 C ATOM 460 C VAL A 32 11.508 3.128 8.498 1.00 0.00 C ATOM 461 O VAL A 32 12.617 3.636 8.333 1.00 0.00 O ATOM 462 CB VAL A 32 11.056 2.012 6.312 1.00 0.00 C ATOM 463 CG1 VAL A 32 11.203 0.626 6.920 1.00 0.00 C ATOM 464 CG2 VAL A 32 10.154 1.973 5.087 1.00 0.00 C ATOM 0 H VAL A 32 10.802 4.524 5.940 1.00 0.00 H new ATOM 0 HA VAL A 32 9.561 2.628 7.742 1.00 0.00 H new ATOM 0 HB VAL A 32 12.043 2.351 5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.592 -0.061 6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.892 0.670 7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.230 0.275 7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.557 1.267 4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.153 1.659 5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.106 2.966 4.639 1.00 0.00 H new ATOM 474 N PRO A 33 11.108 2.653 9.687 1.00 0.00 N ATOM 475 CA PRO A 33 11.956 2.698 10.882 1.00 0.00 C ATOM 476 C PRO A 33 13.141 1.744 10.789 1.00 0.00 C ATOM 477 O PRO A 33 13.323 1.063 9.781 1.00 0.00 O ATOM 478 CB PRO A 33 11.009 2.267 12.005 1.00 0.00 C ATOM 479 CG PRO A 33 9.969 1.443 11.327 1.00 0.00 C ATOM 480 CD PRO A 33 9.799 2.036 9.956 1.00 0.00 C ATOM 0 HA PRO A 33 12.397 3.684 11.032 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.535 1.692 12.768 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.568 3.130 12.504 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.277 0.399 11.265 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.031 1.466 11.881 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.554 1.274 9.216 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.995 2.772 9.933 1.00 0.00 H new ATOM 488 N ASN A 34 13.944 1.699 11.847 1.00 0.00 N ATOM 489 CA ASN A 34 15.112 0.827 11.884 1.00 0.00 C ATOM 490 C ASN A 34 15.026 -0.149 13.053 1.00 0.00 C ATOM 491 O ASN A 34 14.962 0.259 14.212 1.00 0.00 O ATOM 492 CB ASN A 34 16.392 1.659 11.993 1.00 0.00 C ATOM 493 CG ASN A 34 17.566 0.848 12.506 1.00 0.00 C ATOM 494 OD1 ASN A 34 17.611 -0.371 12.344 1.00 0.00 O ATOM 495 ND2 ASN A 34 18.524 1.524 13.130 1.00 0.00 N ATOM 0 H ASN A 34 13.807 2.256 12.690 1.00 0.00 H new ATOM 0 HA ASN A 34 15.136 0.254 10.957 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.639 2.071 11.015 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.218 2.503 12.660 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.339 1.032 13.497 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.445 2.535 13.242 1.00 0.00 H new ATOM 502 N MET A 35 15.025 -1.441 12.740 1.00 0.00 N ATOM 503 CA MET A 35 14.948 -2.475 13.765 1.00 0.00 C ATOM 504 C MET A 35 16.311 -3.125 13.984 1.00 0.00 C ATOM 505 O MET A 35 16.700 -4.034 13.251 1.00 0.00 O ATOM 506 CB MET A 35 13.921 -3.538 13.371 1.00 0.00 C ATOM 507 CG MET A 35 12.511 -3.226 13.845 1.00 0.00 C ATOM 508 SD MET A 35 12.343 -3.326 15.637 1.00 0.00 S ATOM 509 CE MET A 35 10.624 -3.806 15.790 1.00 0.00 C ATOM 0 H MET A 35 15.077 -1.796 11.785 1.00 0.00 H new ATOM 0 HA MET A 35 14.635 -2.005 14.697 1.00 0.00 H new ATOM 0 HB2 MET A 35 13.916 -3.642 12.286 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.229 -4.499 13.782 1.00 0.00 H new ATOM 0 HG2 MET A 35 12.233 -2.226 13.513 1.00 0.00 H new ATOM 0 HG3 MET A 35 11.813 -3.922 13.379 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.293 -3.652 16.817 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.016 -3.200 15.118 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.515 -4.858 15.528 1.00 0.00 H new ATOM 519 N GLN A 36 17.031 -2.652 14.996 1.00 0.00 N ATOM 520 CA GLN A 36 18.350 -3.187 15.310 1.00 0.00 C ATOM 521 C GLN A 36 18.255 -4.287 16.362 1.00 0.00 C ATOM 522 O GLN A 36 18.958 -5.295 16.286 1.00 0.00 O ATOM 523 CB GLN A 36 19.272 -2.071 15.804 1.00 0.00 C ATOM 524 CG GLN A 36 18.545 -0.970 16.559 1.00 0.00 C ATOM 525 CD GLN A 36 19.494 0.012 17.217 1.00 0.00 C ATOM 526 OE1 GLN A 36 19.880 1.016 16.619 1.00 0.00 O ATOM 527 NE2 GLN A 36 19.875 -0.274 18.457 1.00 0.00 N ATOM 0 H GLN A 36 16.723 -1.900 15.612 1.00 0.00 H new ATOM 0 HA GLN A 36 18.767 -3.616 14.399 1.00 0.00 H new ATOM 0 HB2 GLN A 36 20.035 -2.502 16.452 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.789 -1.634 14.950 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.892 -0.433 15.871 1.00 0.00 H new ATOM 0 HG3 GLN A 36 17.906 -1.418 17.320 1.00 0.00 H new ATOM 0 HE21 GLN A 36 19.530 -1.118 18.915 1.00 0.00 H new ATOM 0 HE22 GLN A 36 20.512 0.350 18.951 1.00 0.00 H new ATOM 536 N ASP A 37 17.383 -4.087 17.344 1.00 0.00 N ATOM 537 CA ASP A 37 17.195 -5.062 18.411 1.00 0.00 C ATOM 538 C ASP A 37 17.229 -6.485 17.860 1.00 0.00 C ATOM 539 O ASP A 37 18.177 -7.233 18.100 1.00 0.00 O ATOM 540 CB ASP A 37 15.869 -4.813 19.132 1.00 0.00 C ATOM 541 CG ASP A 37 15.328 -6.063 19.798 1.00 0.00 C ATOM 542 OD1 ASP A 37 15.844 -6.433 20.873 1.00 0.00 O ATOM 543 OD2 ASP A 37 14.389 -6.672 19.243 1.00 0.00 O ATOM 0 H ASP A 37 16.795 -3.257 17.423 1.00 0.00 H new ATOM 0 HA ASP A 37 18.013 -4.947 19.122 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.008 -4.036 19.883 1.00 0.00 H new ATOM 0 HB3 ASP A 37 15.135 -4.439 18.418 1.00 0.00 H new ATOM 548 N LYS A 38 16.188 -6.852 17.121 1.00 0.00 N ATOM 549 CA LYS A 38 16.098 -8.184 16.535 1.00 0.00 C ATOM 550 C LYS A 38 14.903 -8.284 15.592 1.00 0.00 C ATOM 551 O LYS A 38 13.763 -8.034 15.987 1.00 0.00 O ATOM 552 CB LYS A 38 15.982 -9.241 17.635 1.00 0.00 C ATOM 553 CG LYS A 38 16.301 -10.649 17.162 1.00 0.00 C ATOM 554 CD LYS A 38 17.760 -10.784 16.760 1.00 0.00 C ATOM 555 CE LYS A 38 18.200 -12.240 16.741 1.00 0.00 C ATOM 556 NZ LYS A 38 18.089 -12.871 18.086 1.00 0.00 N ATOM 0 H LYS A 38 15.395 -6.246 16.914 1.00 0.00 H new ATOM 0 HA LYS A 38 17.007 -8.363 15.962 1.00 0.00 H new ATOM 0 HB2 LYS A 38 16.656 -8.980 18.451 1.00 0.00 H new ATOM 0 HB3 LYS A 38 14.970 -9.223 18.039 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.074 -11.361 17.956 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.664 -10.902 16.315 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.909 -10.345 15.774 1.00 0.00 H new ATOM 0 HD3 LYS A 38 18.384 -10.223 17.456 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.590 -12.795 16.028 1.00 0.00 H new ATOM 0 HE3 LYS A 38 19.231 -12.303 16.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.743 -13.678 18.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.332 -12.173 18.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.115 -13.203 18.234 1.00 0.00 H new ATOM 570 N THR A 39 15.169 -8.651 14.342 1.00 0.00 N ATOM 571 CA THR A 39 14.116 -8.784 13.343 1.00 0.00 C ATOM 572 C THR A 39 14.667 -9.339 12.035 1.00 0.00 C ATOM 573 O THR A 39 15.861 -9.235 11.760 1.00 0.00 O ATOM 574 CB THR A 39 13.431 -7.432 13.066 1.00 0.00 C ATOM 575 OG1 THR A 39 12.230 -7.637 12.314 1.00 0.00 O ATOM 576 CG2 THR A 39 14.361 -6.501 12.304 1.00 0.00 C ATOM 0 H THR A 39 16.106 -8.862 13.997 1.00 0.00 H new ATOM 0 HA THR A 39 13.381 -9.479 13.749 1.00 0.00 H new ATOM 0 HB THR A 39 13.185 -6.971 14.022 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.779 -6.778 12.177 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.856 -5.553 12.120 1.00 0.00 H new ATOM 0 HG22 THR A 39 15.261 -6.324 12.893 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.634 -6.958 11.353 1.00 0.00 H new ATOM 584 N GLU A 40 13.787 -9.930 11.232 1.00 0.00 N ATOM 585 CA GLU A 40 14.187 -10.502 9.951 1.00 0.00 C ATOM 586 C GLU A 40 13.621 -9.688 8.791 1.00 0.00 C ATOM 587 O GLU A 40 13.115 -10.245 7.817 1.00 0.00 O ATOM 588 CB GLU A 40 13.716 -11.954 9.847 1.00 0.00 C ATOM 589 CG GLU A 40 12.220 -12.125 10.049 1.00 0.00 C ATOM 590 CD GLU A 40 11.719 -13.478 9.583 1.00 0.00 C ATOM 591 OE1 GLU A 40 12.054 -14.490 10.234 1.00 0.00 O ATOM 592 OE2 GLU A 40 10.994 -13.526 8.568 1.00 0.00 O ATOM 0 H GLU A 40 12.794 -10.025 11.445 1.00 0.00 H new ATOM 0 HA GLU A 40 15.275 -10.475 9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.989 -12.346 8.867 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.245 -12.553 10.589 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.983 -11.998 11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.692 -11.340 9.507 1.00 0.00 H new ATOM 599 N TRP A 41 13.711 -8.368 8.904 1.00 0.00 N ATOM 600 CA TRP A 41 13.207 -7.476 7.865 1.00 0.00 C ATOM 601 C TRP A 41 14.235 -6.404 7.523 1.00 0.00 C ATOM 602 O TRP A 41 15.231 -6.237 8.227 1.00 0.00 O ATOM 603 CB TRP A 41 11.900 -6.822 8.315 1.00 0.00 C ATOM 604 CG TRP A 41 10.895 -7.803 8.840 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.612 -9.038 8.332 1.00 0.00 C ATOM 606 CD2 TRP A 41 10.041 -7.629 9.976 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.632 -9.642 9.082 1.00 0.00 N ATOM 608 CE2 TRP A 41 9.266 -8.799 10.097 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.856 -6.599 10.903 1.00 0.00 C ATOM 610 CZ2 TRP A 41 8.322 -8.965 11.108 1.00 0.00 C ATOM 611 CZ3 TRP A 41 8.919 -6.765 11.905 1.00 0.00 C ATOM 612 CH2 TRP A 41 8.162 -7.941 12.001 1.00 0.00 C ATOM 0 H TRP A 41 14.128 -7.891 9.704 1.00 0.00 H new ATOM 0 HA TRP A 41 13.018 -8.070 6.971 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.118 -6.086 9.089 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.465 -6.281 7.475 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.088 -9.476 7.467 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.241 -10.568 8.910 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.435 -5.690 10.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.737 -9.870 11.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.767 -5.976 12.626 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.438 -8.041 12.796 1.00 0.00 H new ATOM 623 N LYS A 42 13.988 -5.678 6.438 1.00 0.00 N ATOM 624 CA LYS A 42 14.891 -4.619 6.003 1.00 0.00 C ATOM 625 C LYS A 42 14.467 -3.271 6.578 1.00 0.00 C ATOM 626 O LYS A 42 13.838 -2.463 5.893 1.00 0.00 O ATOM 627 CB LYS A 42 14.925 -4.546 4.475 1.00 0.00 C ATOM 628 CG LYS A 42 15.413 -5.824 3.815 1.00 0.00 C ATOM 629 CD LYS A 42 16.925 -5.835 3.668 1.00 0.00 C ATOM 630 CE LYS A 42 17.403 -7.064 2.910 1.00 0.00 C ATOM 631 NZ LYS A 42 17.459 -6.822 1.442 1.00 0.00 N ATOM 0 H LYS A 42 13.169 -5.804 5.843 1.00 0.00 H new ATOM 0 HA LYS A 42 15.890 -4.853 6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.924 -4.317 4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.571 -3.722 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.098 -6.683 4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.951 -5.927 2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.247 -4.935 3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.388 -5.812 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.391 -7.351 3.269 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.735 -7.900 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.789 -7.683 0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.511 -6.573 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 18.116 -6.041 1.244 1.00 0.00 H new ATOM 645 N LEU A 43 14.816 -3.034 7.837 1.00 0.00 N ATOM 646 CA LEU A 43 14.473 -1.783 8.504 1.00 0.00 C ATOM 647 C LEU A 43 15.726 -1.065 8.993 1.00 0.00 C ATOM 648 O LEU A 43 16.260 -1.381 10.055 1.00 0.00 O ATOM 649 CB LEU A 43 13.533 -2.051 9.681 1.00 0.00 C ATOM 650 CG LEU A 43 12.192 -2.699 9.334 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.403 -3.002 10.599 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.389 -1.799 8.406 1.00 0.00 C ATOM 0 H LEU A 43 15.337 -3.692 8.417 1.00 0.00 H new ATOM 0 HA LEU A 43 13.968 -1.142 7.782 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.050 -2.693 10.394 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.337 -1.105 10.186 1.00 0.00 H new ATOM 0 HG LEU A 43 12.387 -3.639 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.452 -3.463 10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.973 -3.685 11.229 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.218 -2.076 11.143 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.438 -2.276 8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.204 -0.843 8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.950 -1.632 7.486 1.00 0.00 H new ATOM 664 N ASN A 44 16.190 -0.095 8.211 1.00 0.00 N ATOM 665 CA ASN A 44 17.380 0.669 8.565 1.00 0.00 C ATOM 666 C ASN A 44 17.155 2.161 8.338 1.00 0.00 C ATOM 667 O ASN A 44 17.927 2.817 7.639 1.00 0.00 O ATOM 668 CB ASN A 44 18.581 0.193 7.746 1.00 0.00 C ATOM 669 CG ASN A 44 19.021 -1.208 8.126 1.00 0.00 C ATOM 670 OD1 ASN A 44 19.879 -1.388 8.991 1.00 0.00 O ATOM 671 ND2 ASN A 44 18.434 -2.208 7.479 1.00 0.00 N ATOM 0 H ASN A 44 15.760 0.180 7.328 1.00 0.00 H new ATOM 0 HA ASN A 44 17.584 0.506 9.623 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.327 0.216 6.686 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.412 0.883 7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 44 18.689 -3.172 7.691 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.728 -2.012 6.770 1.00 0.00 H new ATOM 678 N GLY A 45 16.093 2.692 8.936 1.00 0.00 N ATOM 679 CA GLY A 45 15.785 4.103 8.787 1.00 0.00 C ATOM 680 C GLY A 45 15.935 4.581 7.357 1.00 0.00 C ATOM 681 O GLY A 45 17.000 5.055 6.963 1.00 0.00 O ATOM 0 H GLY A 45 15.440 2.171 9.521 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.764 4.286 9.123 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.443 4.685 9.432 1.00 0.00 H new ATOM 685 N GLN A 46 14.866 4.455 6.577 1.00 0.00 N ATOM 686 CA GLN A 46 14.885 4.877 5.181 1.00 0.00 C ATOM 687 C GLN A 46 13.529 5.436 4.763 1.00 0.00 C ATOM 688 O GLN A 46 12.534 5.270 5.467 1.00 0.00 O ATOM 689 CB GLN A 46 15.266 3.703 4.278 1.00 0.00 C ATOM 690 CG GLN A 46 14.279 2.548 4.331 1.00 0.00 C ATOM 691 CD GLN A 46 14.743 1.346 3.532 1.00 0.00 C ATOM 692 OE1 GLN A 46 15.925 1.219 3.210 1.00 0.00 O ATOM 693 NE2 GLN A 46 13.813 0.456 3.208 1.00 0.00 N ATOM 0 H GLN A 46 13.976 4.064 6.888 1.00 0.00 H new ATOM 0 HA GLN A 46 15.630 5.665 5.075 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.343 4.057 3.250 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.253 3.340 4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.127 2.253 5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.314 2.882 3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.845 0.602 3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.066 -0.374 2.671 1.00 0.00 H new ATOM 702 N GLY A 47 13.498 6.101 3.612 1.00 0.00 N ATOM 703 CA GLY A 47 12.259 6.676 3.121 1.00 0.00 C ATOM 704 C GLY A 47 11.969 6.286 1.685 1.00 0.00 C ATOM 705 O GLY A 47 12.819 6.444 0.807 1.00 0.00 O ATOM 0 H GLY A 47 14.308 6.252 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.435 6.352 3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.311 7.762 3.196 1.00 0.00 H new ATOM 709 N LEU A 48 10.767 5.775 1.444 1.00 0.00 N ATOM 710 CA LEU A 48 10.367 5.360 0.104 1.00 0.00 C ATOM 711 C LEU A 48 9.231 6.233 -0.420 1.00 0.00 C ATOM 712 O LEU A 48 8.517 6.871 0.353 1.00 0.00 O ATOM 713 CB LEU A 48 9.936 3.892 0.111 1.00 0.00 C ATOM 714 CG LEU A 48 10.966 2.893 0.639 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.375 1.492 0.685 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.222 2.917 -0.219 1.00 0.00 C ATOM 0 H LEU A 48 10.052 5.638 2.159 1.00 0.00 H new ATOM 0 HA LEU A 48 11.225 5.477 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.031 3.803 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.672 3.607 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 48 11.239 3.184 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.122 0.794 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.506 1.485 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.073 1.191 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.944 2.200 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.967 2.652 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.657 3.916 -0.200 1.00 0.00 H new ATOM 728 N VAL A 49 9.069 6.254 -1.740 1.00 0.00 N ATOM 729 CA VAL A 49 8.018 7.046 -2.367 1.00 0.00 C ATOM 730 C VAL A 49 7.311 6.252 -3.461 1.00 0.00 C ATOM 731 O VAL A 49 7.945 5.515 -4.216 1.00 0.00 O ATOM 732 CB VAL A 49 8.580 8.346 -2.973 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.470 9.152 -3.631 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.287 9.168 -1.907 1.00 0.00 C ATOM 0 H VAL A 49 9.652 5.732 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 49 7.302 7.299 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 49 9.309 8.084 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.886 10.067 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.013 8.561 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.715 9.406 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.678 10.083 -2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.581 9.422 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.109 8.589 -1.487 1.00 0.00 H new ATOM 744 N PHE A 50 5.994 6.409 -3.540 1.00 0.00 N ATOM 745 CA PHE A 50 5.200 5.706 -4.542 1.00 0.00 C ATOM 746 C PHE A 50 4.030 6.567 -5.010 1.00 0.00 C ATOM 747 O PHE A 50 3.158 6.934 -4.222 1.00 0.00 O ATOM 748 CB PHE A 50 4.679 4.384 -3.975 1.00 0.00 C ATOM 749 CG PHE A 50 5.711 3.617 -3.198 1.00 0.00 C ATOM 750 CD1 PHE A 50 6.767 2.999 -3.847 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.624 3.514 -1.819 1.00 0.00 C ATOM 752 CE1 PHE A 50 7.719 2.292 -3.136 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.572 2.809 -1.102 1.00 0.00 C ATOM 754 CZ PHE A 50 7.620 2.197 -1.761 1.00 0.00 C ATOM 0 H PHE A 50 5.454 7.016 -2.923 1.00 0.00 H new ATOM 0 HA PHE A 50 5.842 5.499 -5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.825 4.587 -3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.318 3.763 -4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.848 3.070 -4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.806 3.990 -1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.538 1.815 -3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.493 2.737 -0.027 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.361 1.645 -1.202 1.00 0.00 H new ATOM 764 N THR A 51 4.019 6.888 -6.301 1.00 0.00 N ATOM 765 CA THR A 51 2.959 7.707 -6.875 1.00 0.00 C ATOM 766 C THR A 51 1.878 6.841 -7.510 1.00 0.00 C ATOM 767 O THR A 51 2.050 6.324 -8.615 1.00 0.00 O ATOM 768 CB THR A 51 3.512 8.678 -7.936 1.00 0.00 C ATOM 769 OG1 THR A 51 4.599 9.433 -7.390 1.00 0.00 O ATOM 770 CG2 THR A 51 2.424 9.623 -8.423 1.00 0.00 C ATOM 0 H THR A 51 4.732 6.593 -6.968 1.00 0.00 H new ATOM 0 HA THR A 51 2.526 8.282 -6.057 1.00 0.00 H new ATOM 0 HB THR A 51 3.868 8.092 -8.783 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.946 10.046 -8.071 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.838 10.299 -9.171 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.612 9.046 -8.865 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.042 10.202 -7.582 1.00 0.00 H new ATOM 778 N LEU A 52 0.762 6.685 -6.806 1.00 0.00 N ATOM 779 CA LEU A 52 -0.350 5.881 -7.302 1.00 0.00 C ATOM 780 C LEU A 52 -1.680 6.590 -7.070 1.00 0.00 C ATOM 781 O LEU A 52 -1.884 7.268 -6.063 1.00 0.00 O ATOM 782 CB LEU A 52 -0.361 4.514 -6.616 1.00 0.00 C ATOM 783 CG LEU A 52 0.999 3.837 -6.445 1.00 0.00 C ATOM 784 CD1 LEU A 52 0.867 2.579 -5.600 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.606 3.510 -7.801 1.00 0.00 C ATOM 0 H LEU A 52 0.603 7.105 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.216 5.742 -8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.814 4.628 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.006 3.848 -7.189 1.00 0.00 H new ATOM 0 HG LEU A 52 1.665 4.528 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.845 2.111 -5.489 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.476 2.841 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.185 1.883 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.574 3.029 -7.660 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.942 2.838 -8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.738 4.429 -8.372 1.00 0.00 H new ATOM 797 N PRO A 53 -2.610 6.429 -8.024 1.00 0.00 N ATOM 798 CA PRO A 53 -3.939 7.044 -7.945 1.00 0.00 C ATOM 799 C PRO A 53 -4.804 6.416 -6.858 1.00 0.00 C ATOM 800 O PRO A 53 -4.466 5.367 -6.310 1.00 0.00 O ATOM 801 CB PRO A 53 -4.537 6.773 -9.328 1.00 0.00 C ATOM 802 CG PRO A 53 -3.828 5.557 -9.816 1.00 0.00 C ATOM 803 CD PRO A 53 -2.436 5.635 -9.251 1.00 0.00 C ATOM 0 HA PRO A 53 -3.885 8.102 -7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.613 6.607 -9.269 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.382 7.618 -9.999 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.334 4.650 -9.484 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.806 5.529 -10.905 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.034 4.645 -9.035 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.747 6.115 -9.946 1.00 0.00 H new ATOM 811 N LEU A 54 -5.922 7.065 -6.551 1.00 0.00 N ATOM 812 CA LEU A 54 -6.838 6.570 -5.528 1.00 0.00 C ATOM 813 C LEU A 54 -7.961 5.750 -6.154 1.00 0.00 C ATOM 814 O LEU A 54 -9.043 6.268 -6.433 1.00 0.00 O ATOM 815 CB LEU A 54 -7.425 7.737 -4.733 1.00 0.00 C ATOM 816 CG LEU A 54 -6.425 8.583 -3.944 1.00 0.00 C ATOM 817 CD1 LEU A 54 -5.405 7.694 -3.250 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.730 9.579 -4.860 1.00 0.00 C ATOM 0 H LEU A 54 -6.216 7.935 -6.995 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.275 5.925 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.957 8.390 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.164 7.341 -4.037 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.971 9.139 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.702 8.313 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.917 7.020 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.864 7.111 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.022 10.173 -4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.197 9.042 -5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.472 10.238 -5.311 1.00 0.00 H new ATOM 830 N THR A 55 -7.699 4.465 -6.372 1.00 0.00 N ATOM 831 CA THR A 55 -8.687 3.572 -6.964 1.00 0.00 C ATOM 832 C THR A 55 -8.882 2.324 -6.111 1.00 0.00 C ATOM 833 O THR A 55 -10.010 1.948 -5.792 1.00 0.00 O ATOM 834 CB THR A 55 -8.280 3.149 -8.388 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.853 3.124 -8.503 1.00 0.00 O ATOM 836 CG2 THR A 55 -8.861 4.101 -9.423 1.00 0.00 C ATOM 0 H THR A 55 -6.810 4.019 -6.147 1.00 0.00 H new ATOM 0 HA THR A 55 -9.625 4.126 -7.012 1.00 0.00 H new ATOM 0 HB THR A 55 -8.676 2.151 -8.573 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.603 2.852 -9.411 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.560 3.782 -10.421 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.949 4.095 -9.353 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.491 5.110 -9.238 1.00 0.00 H new ATOM 844 N ASP A 56 -7.776 1.686 -5.744 1.00 0.00 N ATOM 845 CA ASP A 56 -7.825 0.480 -4.925 1.00 0.00 C ATOM 846 C ASP A 56 -7.742 0.826 -3.442 1.00 0.00 C ATOM 847 O ASP A 56 -7.751 1.999 -3.068 1.00 0.00 O ATOM 848 CB ASP A 56 -6.685 -0.467 -5.305 1.00 0.00 C ATOM 849 CG ASP A 56 -7.032 -1.344 -6.492 1.00 0.00 C ATOM 850 OD1 ASP A 56 -8.205 -1.761 -6.599 1.00 0.00 O ATOM 851 OD2 ASP A 56 -6.132 -1.612 -7.315 1.00 0.00 O ATOM 0 H ASP A 56 -6.835 1.984 -6.001 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.777 -0.017 -5.111 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.794 0.116 -5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.440 -1.098 -4.450 1.00 0.00 H new ATOM 856 N GLN A 57 -7.663 -0.201 -2.603 1.00 0.00 N ATOM 857 CA GLN A 57 -7.580 -0.005 -1.161 1.00 0.00 C ATOM 858 C GLN A 57 -6.150 0.308 -0.735 1.00 0.00 C ATOM 859 O GLN A 57 -5.261 0.460 -1.573 1.00 0.00 O ATOM 860 CB GLN A 57 -8.084 -1.249 -0.426 1.00 0.00 C ATOM 861 CG GLN A 57 -9.571 -1.503 -0.609 1.00 0.00 C ATOM 862 CD GLN A 57 -9.991 -2.880 -0.134 1.00 0.00 C ATOM 863 OE1 GLN A 57 -10.176 -3.108 1.062 1.00 0.00 O ATOM 864 NE2 GLN A 57 -10.143 -3.809 -1.071 1.00 0.00 N ATOM 0 H GLN A 57 -7.655 -1.178 -2.897 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.211 0.844 -0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.529 -2.119 -0.778 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.870 -1.144 0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.135 -0.747 -0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.828 -1.392 -1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.979 -3.577 -2.051 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.423 -4.755 -0.811 1.00 0.00 H new ATOM 873 N VAL A 58 -5.934 0.402 0.574 1.00 0.00 N ATOM 874 CA VAL A 58 -4.611 0.696 1.111 1.00 0.00 C ATOM 875 C VAL A 58 -3.700 -0.523 1.025 1.00 0.00 C ATOM 876 O VAL A 58 -2.490 -0.422 1.228 1.00 0.00 O ATOM 877 CB VAL A 58 -4.692 1.160 2.578 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.298 1.318 3.165 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.473 2.461 2.682 1.00 0.00 C ATOM 0 H VAL A 58 -6.658 0.279 1.281 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.195 1.501 0.505 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.219 0.399 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.375 1.646 4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.776 0.362 3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.743 2.059 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.521 2.774 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.976 3.232 2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.483 2.310 2.302 1.00 0.00 H new ATOM 889 N SER A 59 -4.289 -1.675 0.722 1.00 0.00 N ATOM 890 CA SER A 59 -3.531 -2.916 0.611 1.00 0.00 C ATOM 891 C SER A 59 -2.459 -2.803 -0.469 1.00 0.00 C ATOM 892 O SER A 59 -1.302 -3.160 -0.251 1.00 0.00 O ATOM 893 CB SER A 59 -4.467 -4.085 0.298 1.00 0.00 C ATOM 894 OG SER A 59 -3.735 -5.276 0.066 1.00 0.00 O ATOM 0 H SER A 59 -5.289 -1.775 0.549 1.00 0.00 H new ATOM 0 HA SER A 59 -3.041 -3.100 1.567 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.157 -4.235 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.069 -3.848 -0.579 1.00 0.00 H new ATOM 0 HG SER A 59 -4.356 -6.008 -0.130 1.00 0.00 H new ATOM 900 N VAL A 60 -2.855 -2.305 -1.636 1.00 0.00 N ATOM 901 CA VAL A 60 -1.930 -2.143 -2.752 1.00 0.00 C ATOM 902 C VAL A 60 -0.624 -1.505 -2.294 1.00 0.00 C ATOM 903 O VAL A 60 0.404 -1.622 -2.963 1.00 0.00 O ATOM 904 CB VAL A 60 -2.545 -1.283 -3.871 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.800 -1.942 -4.423 1.00 0.00 C ATOM 906 CG2 VAL A 60 -2.849 0.117 -3.360 1.00 0.00 C ATOM 0 H VAL A 60 -3.810 -2.007 -1.833 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.727 -3.140 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.821 -1.200 -4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.221 -1.320 -5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.548 -2.922 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.532 -2.057 -3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.283 0.711 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.555 0.057 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.927 0.588 -3.018 1.00 0.00 H new ATOM 916 N ILE A 61 -0.670 -0.829 -1.151 1.00 0.00 N ATOM 917 CA ILE A 61 0.511 -0.173 -0.603 1.00 0.00 C ATOM 918 C ILE A 61 1.326 -1.135 0.254 1.00 0.00 C ATOM 919 O ILE A 61 2.557 -1.117 0.228 1.00 0.00 O ATOM 920 CB ILE A 61 0.130 1.055 0.244 1.00 0.00 C ATOM 921 CG1 ILE A 61 -0.590 2.094 -0.619 1.00 0.00 C ATOM 922 CG2 ILE A 61 1.369 1.660 0.886 1.00 0.00 C ATOM 923 CD1 ILE A 61 -2.097 1.962 -0.592 1.00 0.00 C ATOM 0 H ILE A 61 -1.513 -0.721 -0.586 1.00 0.00 H new ATOM 0 HA ILE A 61 1.113 0.153 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.547 0.736 1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.315 3.092 -0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.244 2.002 -1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.084 2.527 1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.844 0.919 1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.068 1.968 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.541 2.730 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.383 0.977 -0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.455 2.084 0.430 1.00 0.00 H new ATOM 935 N LYS A 62 0.632 -1.976 1.013 1.00 0.00 N ATOM 936 CA LYS A 62 1.290 -2.949 1.878 1.00 0.00 C ATOM 937 C LYS A 62 2.147 -3.910 1.061 1.00 0.00 C ATOM 938 O LYS A 62 3.187 -4.378 1.524 1.00 0.00 O ATOM 939 CB LYS A 62 0.250 -3.733 2.682 1.00 0.00 C ATOM 940 CG LYS A 62 -0.618 -2.858 3.570 1.00 0.00 C ATOM 941 CD LYS A 62 -1.210 -3.650 4.724 1.00 0.00 C ATOM 942 CE LYS A 62 -1.672 -2.735 5.848 1.00 0.00 C ATOM 943 NZ LYS A 62 -2.531 -3.453 6.830 1.00 0.00 N ATOM 0 H LYS A 62 -0.387 -2.004 1.047 1.00 0.00 H new ATOM 0 HA LYS A 62 1.938 -2.407 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.390 -4.284 1.993 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.762 -4.470 3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.024 -2.032 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.421 -2.420 2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.052 -4.242 4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.467 -4.350 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.803 -2.321 6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.225 -1.895 5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.948 -2.768 7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.290 -3.954 6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.955 -4.139 7.359 1.00 0.00 H new ATOM 957 N VAL A 63 1.704 -4.201 -0.159 1.00 0.00 N ATOM 958 CA VAL A 63 2.432 -5.105 -1.041 1.00 0.00 C ATOM 959 C VAL A 63 3.745 -4.482 -1.503 1.00 0.00 C ATOM 960 O VAL A 63 4.769 -5.160 -1.593 1.00 0.00 O ATOM 961 CB VAL A 63 1.592 -5.480 -2.276 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.756 -4.437 -3.371 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.979 -6.862 -2.783 1.00 0.00 C ATOM 0 H VAL A 63 0.845 -3.824 -0.558 1.00 0.00 H new ATOM 0 HA VAL A 63 2.643 -6.007 -0.467 1.00 0.00 H new ATOM 0 HB VAL A 63 0.542 -5.505 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.155 -4.719 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.426 -3.466 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.805 -4.377 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.376 -7.111 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.034 -6.867 -3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.805 -7.599 -1.999 1.00 0.00 H new ATOM 973 N LYS A 64 3.709 -3.187 -1.795 1.00 0.00 N ATOM 974 CA LYS A 64 4.896 -2.470 -2.246 1.00 0.00 C ATOM 975 C LYS A 64 6.043 -2.638 -1.254 1.00 0.00 C ATOM 976 O LYS A 64 7.139 -3.059 -1.624 1.00 0.00 O ATOM 977 CB LYS A 64 4.580 -0.984 -2.431 1.00 0.00 C ATOM 978 CG LYS A 64 3.419 -0.722 -3.373 1.00 0.00 C ATOM 979 CD LYS A 64 3.874 -0.681 -4.822 1.00 0.00 C ATOM 980 CE LYS A 64 4.562 0.635 -5.153 1.00 0.00 C ATOM 981 NZ LYS A 64 4.712 0.829 -6.622 1.00 0.00 N ATOM 0 H LYS A 64 2.870 -2.611 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 64 5.203 -2.891 -3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.354 -0.545 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.467 -0.477 -2.811 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.666 -1.500 -3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.945 0.224 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.557 -1.508 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.015 -0.819 -5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.987 1.461 -4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.544 0.660 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.185 1.737 -6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.283 0.055 -7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.773 0.831 -7.070 1.00 0.00 H new ATOM 995 N ILE A 65 5.782 -2.307 0.006 1.00 0.00 N ATOM 996 CA ILE A 65 6.792 -2.423 1.051 1.00 0.00 C ATOM 997 C ILE A 65 7.458 -3.795 1.021 1.00 0.00 C ATOM 998 O ILE A 65 8.665 -3.906 0.803 1.00 0.00 O ATOM 999 CB ILE A 65 6.186 -2.190 2.448 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.586 -0.785 2.539 1.00 0.00 C ATOM 1001 CG2 ILE A 65 7.243 -2.390 3.523 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.564 -0.636 3.644 1.00 0.00 C ATOM 0 H ILE A 65 4.880 -1.956 0.328 1.00 0.00 H new ATOM 0 HA ILE A 65 7.539 -1.654 0.855 1.00 0.00 H new ATOM 0 HB ILE A 65 5.390 -2.917 2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.389 -0.065 2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.118 -0.536 1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.800 -2.222 4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.629 -3.408 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.058 -1.684 3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.181 0.384 3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.742 -1.331 3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.032 -0.854 4.604 1.00 0.00 H new ATOM 1014 N HIS A 66 6.663 -4.838 1.239 1.00 0.00 N ATOM 1015 CA HIS A 66 7.175 -6.203 1.235 1.00 0.00 C ATOM 1016 C HIS A 66 8.052 -6.451 0.011 1.00 0.00 C ATOM 1017 O HIS A 66 8.934 -7.308 0.032 1.00 0.00 O ATOM 1018 CB HIS A 66 6.019 -7.204 1.259 1.00 0.00 C ATOM 1019 CG HIS A 66 6.462 -8.633 1.186 1.00 0.00 C ATOM 1020 ND1 HIS A 66 7.186 -9.381 2.051 1.00 0.00 N flip ATOM 1021 CD2 HIS A 66 6.165 -9.459 0.122 1.00 0.00 C flip ATOM 1022 CE1 HIS A 66 7.311 -10.633 1.501 1.00 0.00 C flip ATOM 1023 NE2 HIS A 66 6.685 -10.654 0.337 1.00 0.00 N flip ATOM 0 H HIS A 66 5.662 -4.763 1.421 1.00 0.00 H new ATOM 0 HA HIS A 66 7.783 -6.339 2.130 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.441 -7.058 2.172 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.352 -6.996 0.423 1.00 0.00 H new ATOM 0 HD2 HIS A 66 5.596 -9.173 -0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.835 -11.465 1.947 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.615 -11.456 -0.289 1.00 0.00 H new ATOM 1032 N GLU A 67 7.800 -5.695 -1.054 1.00 0.00 N ATOM 1033 CA GLU A 67 8.566 -5.835 -2.287 1.00 0.00 C ATOM 1034 C GLU A 67 10.028 -5.456 -2.065 1.00 0.00 C ATOM 1035 O GLU A 67 10.924 -6.286 -2.215 1.00 0.00 O ATOM 1036 CB GLU A 67 7.963 -4.962 -3.390 1.00 0.00 C ATOM 1037 CG GLU A 67 8.074 -5.571 -4.777 1.00 0.00 C ATOM 1038 CD GLU A 67 9.426 -6.213 -5.026 1.00 0.00 C ATOM 1039 OE1 GLU A 67 10.405 -5.468 -5.241 1.00 0.00 O ATOM 1040 OE2 GLU A 67 9.504 -7.459 -5.006 1.00 0.00 O ATOM 0 H GLU A 67 7.073 -4.981 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 67 8.522 -6.879 -2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.912 -4.781 -3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.461 -3.992 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.292 -6.319 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.900 -4.797 -5.525 1.00 0.00 H new ATOM 1047 N ALA A 68 10.259 -4.197 -1.708 1.00 0.00 N ATOM 1048 CA ALA A 68 11.610 -3.709 -1.465 1.00 0.00 C ATOM 1049 C ALA A 68 12.191 -4.312 -0.190 1.00 0.00 C ATOM 1050 O ALA A 68 13.300 -4.846 -0.193 1.00 0.00 O ATOM 1051 CB ALA A 68 11.615 -2.189 -1.381 1.00 0.00 C ATOM 0 H ALA A 68 9.528 -3.497 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 68 12.237 -4.019 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.631 -1.838 -1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.249 -1.772 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.968 -1.868 -0.564 1.00 0.00 H new ATOM 1057 N THR A 69 11.434 -4.223 0.900 1.00 0.00 N ATOM 1058 CA THR A 69 11.875 -4.758 2.182 1.00 0.00 C ATOM 1059 C THR A 69 11.290 -6.144 2.429 1.00 0.00 C ATOM 1060 O THR A 69 10.258 -6.503 1.863 1.00 0.00 O ATOM 1061 CB THR A 69 11.475 -3.830 3.345 1.00 0.00 C ATOM 1062 OG1 THR A 69 10.049 -3.763 3.450 1.00 0.00 O ATOM 1063 CG2 THR A 69 12.040 -2.433 3.141 1.00 0.00 C ATOM 0 H THR A 69 10.513 -3.785 0.920 1.00 0.00 H new ATOM 0 HA THR A 69 12.962 -4.827 2.139 1.00 0.00 H new ATOM 0 HB THR A 69 11.888 -4.240 4.267 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.647 -3.972 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.744 -1.796 3.974 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.128 -2.484 3.091 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.653 -2.016 2.211 1.00 0.00 H new ATOM 1071 N GLY A 70 11.958 -6.920 3.278 1.00 0.00 N ATOM 1072 CA GLY A 70 11.488 -8.258 3.585 1.00 0.00 C ATOM 1073 C GLY A 70 10.406 -8.264 4.646 1.00 0.00 C ATOM 1074 O GLY A 70 10.309 -9.201 5.438 1.00 0.00 O ATOM 0 H GLY A 70 12.815 -6.646 3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.104 -8.722 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.327 -8.866 3.923 1.00 0.00 H new ATOM 1078 N MET A 71 9.590 -7.215 4.662 1.00 0.00 N ATOM 1079 CA MET A 71 8.509 -7.103 5.635 1.00 0.00 C ATOM 1080 C MET A 71 7.194 -7.599 5.045 1.00 0.00 C ATOM 1081 O MET A 71 6.804 -7.230 3.937 1.00 0.00 O ATOM 1082 CB MET A 71 8.359 -5.652 6.097 1.00 0.00 C ATOM 1083 CG MET A 71 7.761 -5.516 7.488 1.00 0.00 C ATOM 1084 SD MET A 71 7.880 -3.837 8.134 1.00 0.00 S ATOM 1085 CE MET A 71 7.414 -4.099 9.844 1.00 0.00 C ATOM 0 H MET A 71 9.657 -6.431 4.013 1.00 0.00 H new ATOM 0 HA MET A 71 8.760 -7.726 6.493 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.337 -5.172 6.082 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.730 -5.116 5.386 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.714 -5.817 7.460 1.00 0.00 H new ATOM 0 HG3 MET A 71 8.271 -6.199 8.167 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.808 -3.261 10.188 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.839 -5.021 9.927 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.311 -4.174 10.458 1.00 0.00 H new ATOM 1095 N PRO A 72 6.492 -8.458 5.800 1.00 0.00 N ATOM 1096 CA PRO A 72 5.209 -9.023 5.371 1.00 0.00 C ATOM 1097 C PRO A 72 4.096 -7.981 5.347 1.00 0.00 C ATOM 1098 O PRO A 72 4.094 -7.042 6.142 1.00 0.00 O ATOM 1099 CB PRO A 72 4.920 -10.090 6.430 1.00 0.00 C ATOM 1100 CG PRO A 72 5.662 -9.634 7.639 1.00 0.00 C ATOM 1101 CD PRO A 72 6.896 -8.941 7.131 1.00 0.00 C ATOM 0 HA PRO A 72 5.255 -9.413 4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.851 -10.171 6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.260 -11.073 6.104 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.053 -8.957 8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.923 -10.478 8.278 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.193 -8.120 7.783 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.744 -9.623 7.071 1.00 0.00 H new ATOM 1109 N ALA A 73 3.150 -8.155 4.430 1.00 0.00 N ATOM 1110 CA ALA A 73 2.029 -7.231 4.304 1.00 0.00 C ATOM 1111 C ALA A 73 0.948 -7.535 5.335 1.00 0.00 C ATOM 1112 O ALA A 73 -0.237 -7.588 5.009 1.00 0.00 O ATOM 1113 CB ALA A 73 1.451 -7.290 2.897 1.00 0.00 C ATOM 0 H ALA A 73 3.137 -8.927 3.764 1.00 0.00 H new ATOM 0 HA ALA A 73 2.399 -6.223 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.615 -6.595 2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.221 -7.016 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.103 -8.302 2.689 1.00 0.00 H new ATOM 1119 N GLY A 74 1.365 -7.736 6.582 1.00 0.00 N ATOM 1120 CA GLY A 74 0.420 -8.033 7.642 1.00 0.00 C ATOM 1121 C GLY A 74 0.864 -7.490 8.985 1.00 0.00 C ATOM 1122 O GLY A 74 0.114 -6.780 9.656 1.00 0.00 O ATOM 0 H GLY A 74 2.341 -7.698 6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.552 -7.611 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.289 -9.113 7.716 1.00 0.00 H new ATOM 1126 N LYS A 75 2.088 -7.823 9.381 1.00 0.00 N ATOM 1127 CA LYS A 75 2.633 -7.365 10.653 1.00 0.00 C ATOM 1128 C LYS A 75 2.764 -5.845 10.673 1.00 0.00 C ATOM 1129 O LYS A 75 2.314 -5.187 11.610 1.00 0.00 O ATOM 1130 CB LYS A 75 3.997 -8.008 10.909 1.00 0.00 C ATOM 1131 CG LYS A 75 3.946 -9.523 11.013 1.00 0.00 C ATOM 1132 CD LYS A 75 5.026 -10.055 11.940 1.00 0.00 C ATOM 1133 CE LYS A 75 4.546 -10.110 13.382 1.00 0.00 C ATOM 1134 NZ LYS A 75 4.792 -8.828 14.098 1.00 0.00 N ATOM 0 H LYS A 75 2.722 -8.409 8.838 1.00 0.00 H new ATOM 0 HA LYS A 75 1.944 -7.664 11.443 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.677 -7.730 10.104 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.413 -7.603 11.831 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.967 -9.831 11.380 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.068 -9.961 10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.325 -11.052 11.617 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.909 -9.420 11.873 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.480 -10.338 13.401 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.055 -10.921 13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.995 -9.023 15.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.604 -8.341 13.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.949 -8.223 14.027 1.00 0.00 H new ATOM 1148 N GLN A 76 3.381 -5.296 9.632 1.00 0.00 N ATOM 1149 CA GLN A 76 3.569 -3.853 9.531 1.00 0.00 C ATOM 1150 C GLN A 76 2.229 -3.126 9.547 1.00 0.00 C ATOM 1151 O GLN A 76 1.215 -3.661 9.098 1.00 0.00 O ATOM 1152 CB GLN A 76 4.335 -3.506 8.253 1.00 0.00 C ATOM 1153 CG GLN A 76 3.531 -3.730 6.982 1.00 0.00 C ATOM 1154 CD GLN A 76 4.376 -3.613 5.729 1.00 0.00 C ATOM 1155 OE1 GLN A 76 5.512 -3.140 5.774 1.00 0.00 O ATOM 1156 NE2 GLN A 76 3.825 -4.046 4.601 1.00 0.00 N ATOM 0 H GLN A 76 3.759 -5.827 8.847 1.00 0.00 H new ATOM 0 HA GLN A 76 4.149 -3.527 10.395 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.645 -2.462 8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.243 -4.107 8.209 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.073 -4.719 7.016 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.719 -3.004 6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.880 -4.431 4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.346 -3.994 3.726 1.00 0.00 H new ATOM 1165 N LYS A 77 2.230 -1.905 10.069 1.00 0.00 N ATOM 1166 CA LYS A 77 1.015 -1.103 10.145 1.00 0.00 C ATOM 1167 C LYS A 77 1.239 0.283 9.547 1.00 0.00 C ATOM 1168 O LYS A 77 2.225 0.952 9.859 1.00 0.00 O ATOM 1169 CB LYS A 77 0.553 -0.974 11.598 1.00 0.00 C ATOM 1170 CG LYS A 77 -0.864 -0.445 11.742 1.00 0.00 C ATOM 1171 CD LYS A 77 -1.282 -0.361 13.200 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.494 0.706 13.945 1.00 0.00 C ATOM 1173 NZ LYS A 77 0.843 0.210 14.373 1.00 0.00 N ATOM 0 H LYS A 77 3.060 -1.448 10.446 1.00 0.00 H new ATOM 0 HA LYS A 77 0.241 -1.608 9.568 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.618 -1.950 12.079 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.235 -0.311 12.130 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.933 0.542 11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.553 -1.095 11.202 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.347 -0.138 13.262 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.130 -1.328 13.679 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.370 1.579 13.305 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.058 1.030 14.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.964 0.374 15.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.915 -0.808 14.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.585 0.718 13.851 1.00 0.00 H new ATOM 1187 N LEU A 78 0.319 0.708 8.689 1.00 0.00 N ATOM 1188 CA LEU A 78 0.415 2.015 8.048 1.00 0.00 C ATOM 1189 C LEU A 78 -0.336 3.072 8.852 1.00 0.00 C ATOM 1190 O LEU A 78 -1.428 2.818 9.359 1.00 0.00 O ATOM 1191 CB LEU A 78 -0.141 1.950 6.625 1.00 0.00 C ATOM 1192 CG LEU A 78 0.538 0.954 5.684 1.00 0.00 C ATOM 1193 CD1 LEU A 78 -0.195 0.892 4.353 1.00 0.00 C ATOM 1194 CD2 LEU A 78 1.998 1.329 5.474 1.00 0.00 C ATOM 0 H LEU A 78 -0.503 0.166 8.421 1.00 0.00 H new ATOM 0 HA LEU A 78 1.468 2.295 8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.201 1.701 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.070 2.944 6.183 1.00 0.00 H new ATOM 0 HG LEU A 78 0.500 -0.034 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.303 0.178 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.225 0.576 4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.189 1.878 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.465 0.609 4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.058 2.326 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.517 1.321 6.432 1.00 0.00 H new ATOM 1206 N GLN A 79 0.256 4.257 8.961 1.00 0.00 N ATOM 1207 CA GLN A 79 -0.358 5.352 9.702 1.00 0.00 C ATOM 1208 C GLN A 79 -0.285 6.653 8.910 1.00 0.00 C ATOM 1209 O GLN A 79 0.798 7.100 8.529 1.00 0.00 O ATOM 1210 CB GLN A 79 0.328 5.527 11.058 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.480 6.352 12.046 1.00 0.00 C ATOM 1212 CD GLN A 79 0.317 6.730 13.279 1.00 0.00 C ATOM 1213 OE1 GLN A 79 0.909 7.808 13.343 1.00 0.00 O ATOM 1214 NE2 GLN A 79 0.336 5.843 14.267 1.00 0.00 N ATOM 0 H GLN A 79 1.160 4.483 8.546 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.407 5.104 9.864 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.519 4.544 11.489 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.297 6.003 10.907 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.833 7.258 11.554 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.363 5.789 12.347 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.169 4.962 14.171 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.856 6.043 15.122 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.443 7.257 8.664 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.510 8.506 7.915 1.00 0.00 C ATOM 1225 C TYR A 80 -1.949 9.657 8.814 1.00 0.00 C ATOM 1226 O TYR A 80 -3.130 9.794 9.132 1.00 0.00 O ATOM 1227 CB TYR A 80 -2.475 8.366 6.737 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.943 9.691 6.177 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -2.040 10.715 5.917 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -4.287 9.919 5.910 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -2.463 11.927 5.407 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.718 11.128 5.398 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.803 12.128 5.149 1.00 0.00 C ATOM 1234 OH TYR A 80 -4.229 13.334 4.640 1.00 0.00 O ATOM 0 H TYR A 80 -2.348 6.901 8.973 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.513 8.727 7.535 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.988 7.798 5.945 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.343 7.789 7.056 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.990 10.561 6.117 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.007 9.138 6.106 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.749 12.713 5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.766 11.288 5.194 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.201 13.311 4.515 1.00 0.00 H new ATOM 1244 N GLU A 81 -0.989 10.483 9.219 1.00 0.00 N ATOM 1245 CA GLU A 81 -1.276 11.623 10.081 1.00 0.00 C ATOM 1246 C GLU A 81 -1.821 11.162 11.430 1.00 0.00 C ATOM 1247 O GLU A 81 -2.596 11.868 12.073 1.00 0.00 O ATOM 1248 CB GLU A 81 -2.280 12.560 9.407 1.00 0.00 C ATOM 1249 CG GLU A 81 -1.731 13.255 8.172 1.00 0.00 C ATOM 1250 CD GLU A 81 -0.955 14.513 8.507 1.00 0.00 C ATOM 1251 OE1 GLU A 81 0.134 14.395 9.109 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -1.435 15.615 8.169 1.00 0.00 O ATOM 0 H GLU A 81 -0.006 10.384 8.964 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.344 12.162 10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.166 11.990 9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.599 13.314 10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.083 12.566 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.555 13.508 7.505 1.00 0.00 H new ATOM 1259 N GLY A 82 -1.408 9.970 11.851 1.00 0.00 N ATOM 1260 CA GLY A 82 -1.865 9.433 13.120 1.00 0.00 C ATOM 1261 C GLY A 82 -2.943 8.382 12.951 1.00 0.00 C ATOM 1262 O GLY A 82 -3.080 7.484 13.782 1.00 0.00 O ATOM 0 H GLY A 82 -0.766 9.367 11.337 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.019 8.999 13.653 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.248 10.245 13.738 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.713 8.494 11.873 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.785 7.546 11.599 1.00 0.00 C ATOM 1268 C ILE A 83 -4.230 6.221 11.087 1.00 0.00 C ATOM 1269 O ILE A 83 -3.232 6.191 10.366 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.781 8.105 10.566 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -6.395 9.412 11.073 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.867 7.083 10.269 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.920 10.301 9.968 1.00 0.00 C ATOM 0 H ILE A 83 -3.614 9.232 11.176 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.307 7.379 12.541 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.244 8.313 9.641 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -7.209 9.179 11.759 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.644 9.959 11.643 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.563 7.494 9.537 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.414 6.176 9.869 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.404 6.846 11.187 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.341 11.209 10.400 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.105 10.564 9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.694 9.772 9.412 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.883 5.127 11.464 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.456 3.798 11.043 1.00 0.00 C ATOM 1287 C PHE A 84 -5.222 3.347 9.803 1.00 0.00 C ATOM 1288 O PHE A 84 -6.258 2.690 9.906 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.659 2.790 12.176 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.877 3.117 13.417 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -2.504 2.934 13.454 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -4.515 3.608 14.544 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -1.783 3.233 14.594 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -3.798 3.909 15.687 1.00 0.00 C ATOM 1295 CZ PHE A 84 -2.430 3.722 15.712 1.00 0.00 C ATOM 0 H PHE A 84 -5.710 5.135 12.061 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.396 3.847 10.795 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.719 2.745 12.426 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.371 1.799 11.826 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.992 2.554 12.582 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.585 3.757 14.530 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.713 3.084 14.611 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.307 4.290 16.560 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.868 3.957 16.603 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.706 3.706 8.633 1.00 0.00 N ATOM 1306 CA ILE A 85 -5.341 3.339 7.373 1.00 0.00 C ATOM 1307 C ILE A 85 -5.211 1.843 7.107 1.00 0.00 C ATOM 1308 O ILE A 85 -4.144 1.359 6.729 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.733 4.114 6.189 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -3.212 4.197 6.332 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -5.339 5.507 6.101 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.483 4.257 5.009 1.00 0.00 C ATOM 0 H ILE A 85 -3.850 4.251 8.531 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.396 3.599 7.464 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.963 3.580 5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.958 5.080 6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.860 3.331 6.892 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.899 6.043 5.260 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.416 5.427 5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.136 6.051 7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.409 4.314 5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.707 3.362 4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.806 5.138 4.455 1.00 0.00 H new ATOM 1324 N LYS A 86 -6.304 1.115 7.307 1.00 0.00 N ATOM 1325 CA LYS A 86 -6.315 -0.326 7.086 1.00 0.00 C ATOM 1326 C LYS A 86 -6.521 -0.649 5.610 1.00 0.00 C ATOM 1327 O LYS A 86 -6.950 0.204 4.832 1.00 0.00 O ATOM 1328 CB LYS A 86 -7.416 -0.983 7.921 1.00 0.00 C ATOM 1329 CG LYS A 86 -7.059 -2.376 8.411 1.00 0.00 C ATOM 1330 CD LYS A 86 -8.162 -2.962 9.277 1.00 0.00 C ATOM 1331 CE LYS A 86 -8.108 -4.482 9.295 1.00 0.00 C ATOM 1332 NZ LYS A 86 -8.697 -5.072 8.060 1.00 0.00 N ATOM 0 H LYS A 86 -7.195 1.500 7.622 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.348 -0.722 7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.635 -0.350 8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.327 -1.039 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.881 -3.029 7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.131 -2.336 8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.068 -2.581 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.132 -2.636 8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.073 -4.808 9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.645 -4.854 10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.782 -6.102 8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.639 -4.663 7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.082 -4.863 7.248 1.00 0.00 H new ATOM 1346 N ASP A 87 -6.215 -1.885 5.231 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.370 -2.321 3.848 1.00 0.00 C ATOM 1348 C ASP A 87 -7.844 -2.481 3.490 1.00 0.00 C ATOM 1349 O ASP A 87 -8.209 -2.501 2.315 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.632 -3.641 3.621 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.570 -4.493 4.874 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -6.644 -4.834 5.413 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -4.449 -4.818 5.315 1.00 0.00 O ATOM 0 H ASP A 87 -5.858 -2.603 5.862 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.939 -1.556 3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.130 -4.201 2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.619 -3.433 3.276 1.00 0.00 H new ATOM 1358 N SER A 88 -8.687 -2.595 4.512 1.00 0.00 N ATOM 1359 CA SER A 88 -10.121 -2.757 4.305 1.00 0.00 C ATOM 1360 C SER A 88 -10.752 -1.455 3.822 1.00 0.00 C ATOM 1361 O SER A 88 -11.722 -1.466 3.065 1.00 0.00 O ATOM 1362 CB SER A 88 -10.796 -3.214 5.600 1.00 0.00 C ATOM 1363 OG SER A 88 -12.194 -3.361 5.422 1.00 0.00 O ATOM 0 H SER A 88 -8.401 -2.578 5.491 1.00 0.00 H new ATOM 0 HA SER A 88 -10.268 -3.518 3.538 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.366 -4.162 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.601 -2.489 6.391 1.00 0.00 H new ATOM 0 HG SER A 88 -12.602 -3.655 6.263 1.00 0.00 H new ATOM 1369 N ASN A 89 -10.192 -0.334 4.265 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.699 0.978 3.879 1.00 0.00 C ATOM 1371 C ASN A 89 -9.873 1.567 2.740 1.00 0.00 C ATOM 1372 O ASN A 89 -8.650 1.429 2.711 1.00 0.00 O ATOM 1373 CB ASN A 89 -10.684 1.927 5.079 1.00 0.00 C ATOM 1374 CG ASN A 89 -9.584 1.591 6.068 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -8.405 1.832 5.808 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -9.967 1.031 7.210 1.00 0.00 N ATOM 0 H ASN A 89 -9.387 -0.308 4.891 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.726 0.856 3.534 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -10.553 2.950 4.728 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -11.649 1.885 5.584 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -9.272 0.782 7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.956 0.850 7.383 1.00 0.00 H new ATOM 1383 N SER A 90 -10.549 2.224 1.803 1.00 0.00 N ATOM 1384 CA SER A 90 -9.879 2.832 0.660 1.00 0.00 C ATOM 1385 C SER A 90 -9.170 4.120 1.067 1.00 0.00 C ATOM 1386 O SER A 90 -9.444 4.684 2.127 1.00 0.00 O ATOM 1387 CB SER A 90 -10.886 3.121 -0.455 1.00 0.00 C ATOM 1388 OG SER A 90 -11.607 1.952 -0.806 1.00 0.00 O ATOM 0 H SER A 90 -11.561 2.349 1.813 1.00 0.00 H new ATOM 0 HA SER A 90 -9.133 2.128 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.580 3.897 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.363 3.507 -1.330 1.00 0.00 H new ATOM 0 HG SER A 90 -12.245 2.163 -1.519 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.258 4.580 0.218 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.509 5.803 0.488 1.00 0.00 C ATOM 1396 C LEU A 91 -8.369 7.036 0.231 1.00 0.00 C ATOM 1397 O LEU A 91 -8.518 7.893 1.102 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.250 5.855 -0.380 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.288 4.675 -0.238 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -5.641 3.577 -1.229 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -3.850 5.132 -0.435 1.00 0.00 C ATOM 0 H LEU A 91 -8.019 4.125 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.219 5.798 1.539 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.555 5.925 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.708 6.771 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.385 4.271 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.946 2.745 -1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.657 3.230 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.574 3.968 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.180 4.279 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.738 5.562 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.601 5.883 0.315 1.00 0.00 H new ATOM 1413 N ALA A 92 -8.933 7.118 -0.969 1.00 0.00 N ATOM 1414 CA ALA A 92 -9.782 8.244 -1.339 1.00 0.00 C ATOM 1415 C ALA A 92 -10.721 8.622 -0.199 1.00 0.00 C ATOM 1416 O ALA A 92 -10.927 9.803 0.084 1.00 0.00 O ATOM 1417 CB ALA A 92 -10.577 7.916 -2.594 1.00 0.00 C ATOM 0 H ALA A 92 -8.818 6.418 -1.702 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.139 9.100 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -11.206 8.766 -2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.891 7.703 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.204 7.044 -2.410 1.00 0.00 H new ATOM 1423 N TYR A 93 -11.289 7.613 0.452 1.00 0.00 N ATOM 1424 CA TYR A 93 -12.209 7.840 1.561 1.00 0.00 C ATOM 1425 C TYR A 93 -11.577 8.741 2.617 1.00 0.00 C ATOM 1426 O TYR A 93 -12.171 9.735 3.037 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.620 6.508 2.190 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.461 6.662 3.437 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.887 7.045 4.643 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.830 6.422 3.410 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.651 7.186 5.785 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.602 6.563 4.547 1.00 0.00 C ATOM 1433 CZ TYR A 93 -15.008 6.945 5.732 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.774 7.084 6.867 1.00 0.00 O ATOM 0 H TYR A 93 -11.129 6.630 0.231 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.096 8.338 1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.177 5.925 1.456 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.723 5.939 2.435 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.825 7.236 4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -15.298 6.120 2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.188 7.483 6.714 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.665 6.375 4.508 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.709 6.878 6.658 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.370 8.387 3.043 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.657 9.161 4.052 1.00 0.00 C ATOM 1446 C TYR A 94 -9.390 10.581 3.561 1.00 0.00 C ATOM 1447 O TYR A 94 -9.070 11.471 4.347 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.337 8.477 4.411 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.502 7.282 5.322 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -9.040 7.423 6.595 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -8.122 6.011 4.909 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -9.192 6.334 7.431 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -8.272 4.916 5.737 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.807 5.083 6.998 1.00 0.00 C ATOM 1455 OH TYR A 94 -8.958 3.995 7.827 1.00 0.00 O ATOM 0 H TYR A 94 -9.864 7.568 2.705 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.284 9.215 4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.842 8.158 3.494 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.681 9.202 4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.345 8.401 6.937 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.702 5.877 3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.610 6.462 8.419 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.972 3.935 5.400 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.890 3.692 7.802 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.526 10.783 2.254 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.300 12.094 1.656 1.00 0.00 C ATOM 1467 C ASN A 95 -7.821 12.467 1.705 1.00 0.00 C ATOM 1468 O ASN A 95 -7.453 13.521 2.222 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.129 13.157 2.380 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.580 12.747 2.543 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -12.259 13.182 3.474 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.062 11.905 1.636 1.00 0.00 N ATOM 0 H ASN A 95 -9.791 10.056 1.589 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.611 12.048 0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.695 13.346 3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.079 14.093 1.824 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.031 11.593 1.694 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.463 11.570 0.881 1.00 0.00 H new ATOM 1479 N MET A 96 -6.979 11.594 1.161 1.00 0.00 N ATOM 1480 CA MET A 96 -5.540 11.832 1.141 1.00 0.00 C ATOM 1481 C MET A 96 -5.165 12.795 0.018 1.00 0.00 C ATOM 1482 O MET A 96 -5.762 12.772 -1.057 1.00 0.00 O ATOM 1483 CB MET A 96 -4.786 10.512 0.970 1.00 0.00 C ATOM 1484 CG MET A 96 -4.793 9.643 2.218 1.00 0.00 C ATOM 1485 SD MET A 96 -4.115 7.999 1.922 1.00 0.00 S ATOM 1486 CE MET A 96 -4.277 7.268 3.549 1.00 0.00 C ATOM 0 H MET A 96 -7.268 10.716 0.729 1.00 0.00 H new ATOM 0 HA MET A 96 -5.257 12.283 2.092 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.230 9.954 0.146 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.754 10.726 0.692 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.216 10.134 3.001 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.815 9.550 2.586 1.00 0.00 H new ATOM 0 HE1 MET A 96 -4.510 6.208 3.450 1.00 0.00 H new ATOM 0 HE2 MET A 96 -3.341 7.384 4.095 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.079 7.767 4.094 1.00 0.00 H new ATOM 1496 N ALA A 97 -4.171 13.639 0.276 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.715 14.607 -0.713 1.00 0.00 C ATOM 1498 C ALA A 97 -2.284 14.314 -1.149 1.00 0.00 C ATOM 1499 O ALA A 97 -1.487 13.778 -0.379 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.820 16.020 -0.156 1.00 0.00 C ATOM 0 H ALA A 97 -3.666 13.671 1.162 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.358 14.524 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.476 16.733 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.858 16.234 0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.201 16.106 0.737 1.00 0.00 H new ATOM 1506 N SER A 98 -1.964 14.668 -2.390 1.00 0.00 N ATOM 1507 CA SER A 98 -0.629 14.438 -2.930 1.00 0.00 C ATOM 1508 C SER A 98 0.436 15.048 -2.025 1.00 0.00 C ATOM 1509 O SER A 98 0.223 16.096 -1.415 1.00 0.00 O ATOM 1510 CB SER A 98 -0.517 15.028 -4.337 1.00 0.00 C ATOM 1511 OG SER A 98 0.468 14.351 -5.097 1.00 0.00 O ATOM 0 H SER A 98 -2.611 15.115 -3.040 1.00 0.00 H new ATOM 0 HA SER A 98 -0.465 13.362 -2.980 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.481 14.959 -4.841 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.266 16.087 -4.272 1.00 0.00 H new ATOM 0 HG SER A 98 0.519 14.746 -5.993 1.00 0.00 H new ATOM 1517 N GLY A 99 1.585 14.384 -1.941 1.00 0.00 N ATOM 1518 CA GLY A 99 2.667 14.874 -1.108 1.00 0.00 C ATOM 1519 C GLY A 99 2.441 14.588 0.363 1.00 0.00 C ATOM 1520 O GLY A 99 2.807 15.390 1.222 1.00 0.00 O ATOM 0 H GLY A 99 1.785 13.515 -2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.603 14.413 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.775 15.949 -1.254 1.00 0.00 H new ATOM 1524 N ALA A 100 1.837 13.441 0.655 1.00 0.00 N ATOM 1525 CA ALA A 100 1.563 13.051 2.033 1.00 0.00 C ATOM 1526 C ALA A 100 2.710 12.225 2.607 1.00 0.00 C ATOM 1527 O ALA A 100 3.689 11.939 1.918 1.00 0.00 O ATOM 1528 CB ALA A 100 0.258 12.272 2.112 1.00 0.00 C ATOM 0 H ALA A 100 1.528 12.765 -0.044 1.00 0.00 H new ATOM 0 HA ALA A 100 1.468 13.958 2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.066 11.987 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.560 12.895 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.332 11.375 1.497 1.00 0.00 H new ATOM 1534 N VAL A 101 2.582 11.845 3.874 1.00 0.00 N ATOM 1535 CA VAL A 101 3.607 11.051 4.542 1.00 0.00 C ATOM 1536 C VAL A 101 2.988 9.899 5.324 1.00 0.00 C ATOM 1537 O VAL A 101 2.160 10.111 6.210 1.00 0.00 O ATOM 1538 CB VAL A 101 4.449 11.914 5.500 1.00 0.00 C ATOM 1539 CG1 VAL A 101 3.577 12.493 6.604 1.00 0.00 C ATOM 1540 CG2 VAL A 101 5.592 11.099 6.085 1.00 0.00 C ATOM 0 H VAL A 101 1.778 12.074 4.459 1.00 0.00 H new ATOM 0 HA VAL A 101 4.254 10.650 3.762 1.00 0.00 H new ATOM 0 HB VAL A 101 4.876 12.743 4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.189 13.100 7.271 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.796 13.113 6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.119 11.681 7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.177 11.724 6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.188 10.249 6.636 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.231 10.738 5.279 1.00 0.00 H new ATOM 1550 N ILE A 102 3.394 8.678 4.991 1.00 0.00 N ATOM 1551 CA ILE A 102 2.880 7.492 5.664 1.00 0.00 C ATOM 1552 C ILE A 102 3.908 6.922 6.635 1.00 0.00 C ATOM 1553 O ILE A 102 4.881 6.288 6.225 1.00 0.00 O ATOM 1554 CB ILE A 102 2.484 6.399 4.653 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.455 6.941 3.660 1.00 0.00 C ATOM 1556 CG2 ILE A 102 1.936 5.180 5.380 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.108 7.232 4.283 1.00 0.00 C ATOM 0 H ILE A 102 4.078 8.485 4.259 1.00 0.00 H new ATOM 0 HA ILE A 102 1.994 7.802 6.218 1.00 0.00 H new ATOM 0 HB ILE A 102 3.373 6.098 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.843 7.855 3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.325 6.219 2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.660 4.416 4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.698 4.784 6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.057 5.465 5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.571 7.613 3.520 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.302 6.316 4.708 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.224 7.977 5.070 1.00 0.00 H new ATOM 1569 N HIS A 103 3.686 7.151 7.926 1.00 0.00 N ATOM 1570 CA HIS A 103 4.592 6.658 8.957 1.00 0.00 C ATOM 1571 C HIS A 103 4.489 5.142 9.091 1.00 0.00 C ATOM 1572 O HIS A 103 3.450 4.612 9.486 1.00 0.00 O ATOM 1573 CB HIS A 103 4.281 7.322 10.299 1.00 0.00 C ATOM 1574 CG HIS A 103 4.186 8.815 10.220 1.00 0.00 C ATOM 1575 ND1 HIS A 103 5.243 9.617 9.845 1.00 0.00 N ATOM 1576 CD2 HIS A 103 3.151 9.651 10.470 1.00 0.00 C ATOM 1577 CE1 HIS A 103 4.863 10.882 9.868 1.00 0.00 C ATOM 1578 NE2 HIS A 103 3.598 10.930 10.244 1.00 0.00 N ATOM 0 H HIS A 103 2.887 7.675 8.282 1.00 0.00 H new ATOM 0 HA HIS A 103 5.610 6.911 8.662 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.340 6.926 10.682 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.056 7.053 11.017 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.159 9.366 10.788 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.482 11.732 9.621 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.043 11.779 10.349 1.00 0.00 H new ATOM 1587 N LEU A 104 5.572 4.449 8.759 1.00 0.00 N ATOM 1588 CA LEU A 104 5.604 2.993 8.841 1.00 0.00 C ATOM 1589 C LEU A 104 5.983 2.535 10.246 1.00 0.00 C ATOM 1590 O LEU A 104 6.823 3.148 10.904 1.00 0.00 O ATOM 1591 CB LEU A 104 6.596 2.426 7.823 1.00 0.00 C ATOM 1592 CG LEU A 104 6.429 0.946 7.475 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.138 0.074 8.499 1.00 0.00 C ATOM 1594 CD2 LEU A 104 4.954 0.581 7.391 1.00 0.00 C ATOM 0 H LEU A 104 6.440 4.872 8.430 1.00 0.00 H new ATOM 0 HA LEU A 104 4.606 2.619 8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.514 3.006 6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.605 2.577 8.206 1.00 0.00 H new ATOM 0 HG LEU A 104 6.883 0.768 6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.008 -0.976 8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.201 0.317 8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.714 0.255 9.487 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.854 -0.476 7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.476 0.775 8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.474 1.182 6.619 1.00 0.00 H new ATOM 1606 N ALA A 105 5.359 1.452 10.698 1.00 0.00 N ATOM 1607 CA ALA A 105 5.634 0.909 12.023 1.00 0.00 C ATOM 1608 C ALA A 105 5.295 -0.576 12.089 1.00 0.00 C ATOM 1609 O ALA A 105 4.884 -1.174 11.094 1.00 0.00 O ATOM 1610 CB ALA A 105 4.856 1.678 13.080 1.00 0.00 C ATOM 0 H ALA A 105 4.660 0.933 10.166 1.00 0.00 H new ATOM 0 HA ALA A 105 6.700 1.020 12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.071 1.262 14.064 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.151 2.727 13.057 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.788 1.597 12.877 1.00 0.00 H new ATOM 1616 N LEU A 106 5.469 -1.166 13.266 1.00 0.00 N ATOM 1617 CA LEU A 106 5.182 -2.582 13.462 1.00 0.00 C ATOM 1618 C LEU A 106 4.016 -2.773 14.427 1.00 0.00 C ATOM 1619 O LEU A 106 3.972 -2.160 15.494 1.00 0.00 O ATOM 1620 CB LEU A 106 6.421 -3.306 13.992 1.00 0.00 C ATOM 1621 CG LEU A 106 6.171 -4.644 14.689 1.00 0.00 C ATOM 1622 CD1 LEU A 106 5.937 -5.743 13.665 1.00 0.00 C ATOM 1623 CD2 LEU A 106 7.339 -4.999 15.598 1.00 0.00 C ATOM 0 H LEU A 106 5.808 -0.685 14.099 1.00 0.00 H new ATOM 0 HA LEU A 106 4.905 -3.008 12.497 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.102 -3.475 13.158 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.932 -2.645 14.692 1.00 0.00 H new ATOM 0 HG LEU A 106 5.275 -4.550 15.303 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.761 -6.688 14.179 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.068 -5.494 13.056 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.814 -5.836 13.025 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.143 -5.954 16.086 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.251 -5.074 15.006 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.460 -4.224 16.354 1.00 0.00 H new ATOM 1635 N LYS A 107 3.074 -3.629 14.046 1.00 0.00 N ATOM 1636 CA LYS A 107 1.909 -3.905 14.878 1.00 0.00 C ATOM 1637 C LYS A 107 2.330 -4.408 16.255 1.00 0.00 C ATOM 1638 O LYS A 107 3.233 -5.235 16.374 1.00 0.00 O ATOM 1639 CB LYS A 107 1.005 -4.938 14.201 1.00 0.00 C ATOM 1640 CG LYS A 107 -0.175 -5.366 15.054 1.00 0.00 C ATOM 1641 CD LYS A 107 -1.028 -6.405 14.345 1.00 0.00 C ATOM 1642 CE LYS A 107 -1.865 -5.779 13.240 1.00 0.00 C ATOM 1643 NZ LYS A 107 -3.164 -5.263 13.752 1.00 0.00 N ATOM 0 H LYS A 107 3.095 -4.144 13.166 1.00 0.00 H new ATOM 0 HA LYS A 107 1.356 -2.974 15.004 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.634 -4.524 13.264 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.598 -5.817 13.949 1.00 0.00 H new ATOM 0 HG2 LYS A 107 0.186 -5.773 15.998 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.785 -4.496 15.295 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.386 -7.178 13.923 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.683 -6.894 15.067 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.307 -4.964 12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.050 -6.519 12.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.704 -4.844 12.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.708 -6.045 14.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.988 -4.538 14.477 1.00 0.00 H new ATOM 1657 N GLU A 108 1.668 -3.904 17.292 1.00 0.00 N ATOM 1658 CA GLU A 108 1.975 -4.304 18.661 1.00 0.00 C ATOM 1659 C GLU A 108 2.103 -5.821 18.768 1.00 0.00 C ATOM 1660 O GLU A 108 1.118 -6.522 19.000 1.00 0.00 O ATOM 1661 CB GLU A 108 0.891 -3.803 19.617 1.00 0.00 C ATOM 1662 CG GLU A 108 0.925 -2.301 19.843 1.00 0.00 C ATOM 1663 CD GLU A 108 0.218 -1.886 21.118 1.00 0.00 C ATOM 1664 OE1 GLU A 108 0.696 -2.257 22.210 1.00 0.00 O ATOM 1665 OE2 GLU A 108 -0.814 -1.189 21.024 1.00 0.00 O ATOM 0 H GLU A 108 0.917 -3.219 17.211 1.00 0.00 H new ATOM 0 HA GLU A 108 2.929 -3.856 18.939 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.086 -4.080 19.222 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.002 -4.309 20.576 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.962 -1.967 19.882 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.460 -1.799 18.994 1.00 0.00 H new ATOM 1672 N ARG A 109 3.323 -6.319 18.599 1.00 0.00 N ATOM 1673 CA ARG A 109 3.580 -7.752 18.675 1.00 0.00 C ATOM 1674 C ARG A 109 4.799 -8.041 19.547 1.00 0.00 C ATOM 1675 O ARG A 109 5.469 -7.122 20.017 1.00 0.00 O ATOM 1676 CB ARG A 109 3.793 -8.329 17.274 1.00 0.00 C ATOM 1677 CG ARG A 109 2.507 -8.769 16.594 1.00 0.00 C ATOM 1678 CD ARG A 109 2.003 -10.088 17.158 1.00 0.00 C ATOM 1679 NE ARG A 109 1.179 -9.896 18.348 1.00 0.00 N ATOM 1680 CZ ARG A 109 0.909 -10.861 19.219 1.00 0.00 C ATOM 1681 NH1 ARG A 109 1.396 -12.080 19.035 1.00 0.00 N ATOM 1682 NH2 ARG A 109 0.151 -10.608 20.279 1.00 0.00 N ATOM 0 H ARG A 109 4.149 -5.752 18.409 1.00 0.00 H new ATOM 0 HA ARG A 109 2.710 -8.228 19.128 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.285 -7.580 16.653 1.00 0.00 H new ATOM 0 HB3 ARG A 109 4.469 -9.182 17.340 1.00 0.00 H new ATOM 0 HG2 ARG A 109 1.744 -8.001 16.724 1.00 0.00 H new ATOM 0 HG3 ARG A 109 2.677 -8.871 15.522 1.00 0.00 H new ATOM 0 HD2 ARG A 109 1.424 -10.610 16.396 1.00 0.00 H new ATOM 0 HD3 ARG A 109 2.853 -10.725 17.404 1.00 0.00 H new ATOM 0 HE ARG A 109 0.789 -8.969 18.520 1.00 0.00 H new ATOM 0 HH11 ARG A 109 1.980 -12.279 18.223 1.00 0.00 H new ATOM 0 HH12 ARG A 109 1.187 -12.819 19.706 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -0.225 -9.671 20.425 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -0.056 -11.350 20.947 1.00 0.00 H new ATOM 1696 N SER A 110 5.079 -9.323 19.758 1.00 0.00 N ATOM 1697 CA SER A 110 6.214 -9.732 20.576 1.00 0.00 C ATOM 1698 C SER A 110 6.612 -11.173 20.271 1.00 0.00 C ATOM 1699 O SER A 110 5.855 -11.921 19.654 1.00 0.00 O ATOM 1700 CB SER A 110 5.877 -9.588 22.062 1.00 0.00 C ATOM 1701 OG SER A 110 5.744 -8.225 22.424 1.00 0.00 O ATOM 0 H SER A 110 4.535 -10.096 19.374 1.00 0.00 H new ATOM 0 HA SER A 110 7.056 -9.082 20.337 1.00 0.00 H new ATOM 0 HB2 SER A 110 4.950 -10.118 22.281 1.00 0.00 H new ATOM 0 HB3 SER A 110 6.659 -10.052 22.662 1.00 0.00 H new ATOM 0 HG SER A 110 5.967 -7.659 21.656 1.00 0.00 H new ATOM 1707 N GLY A 111 7.808 -11.556 20.708 1.00 0.00 N ATOM 1708 CA GLY A 111 8.288 -12.905 20.473 1.00 0.00 C ATOM 1709 C GLY A 111 9.794 -12.966 20.313 1.00 0.00 C ATOM 1710 O GLY A 111 10.322 -12.952 19.201 1.00 0.00 O ATOM 0 H GLY A 111 8.453 -10.955 21.221 1.00 0.00 H new ATOM 0 HA2 GLY A 111 7.988 -13.544 21.304 1.00 0.00 H new ATOM 0 HA3 GLY A 111 7.814 -13.305 19.576 1.00 0.00 H new ATOM 1714 N PRO A 112 10.511 -13.032 21.444 1.00 0.00 N ATOM 1715 CA PRO A 112 11.976 -13.095 21.450 1.00 0.00 C ATOM 1716 C PRO A 112 12.501 -14.426 20.923 1.00 0.00 C ATOM 1717 O PRO A 112 11.735 -15.365 20.708 1.00 0.00 O ATOM 1718 CB PRO A 112 12.331 -12.928 22.930 1.00 0.00 C ATOM 1719 CG PRO A 112 11.128 -13.408 23.665 1.00 0.00 C ATOM 1720 CD PRO A 112 9.947 -13.052 22.804 1.00 0.00 C ATOM 0 HA PRO A 112 12.420 -12.339 20.803 1.00 0.00 H new ATOM 0 HB2 PRO A 112 13.214 -13.510 23.193 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.552 -11.888 23.169 1.00 0.00 H new ATOM 0 HG2 PRO A 112 11.177 -14.484 23.834 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.054 -12.934 24.644 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.146 -13.786 22.896 1.00 0.00 H new ATOM 0 HD3 PRO A 112 9.526 -12.085 23.079 1.00 0.00 H new ATOM 1728 N SER A 113 13.812 -14.499 20.717 1.00 0.00 N ATOM 1729 CA SER A 113 14.439 -15.715 20.211 1.00 0.00 C ATOM 1730 C SER A 113 15.692 -16.054 21.014 1.00 0.00 C ATOM 1731 O SER A 113 16.088 -15.310 21.911 1.00 0.00 O ATOM 1732 CB SER A 113 14.797 -15.552 18.733 1.00 0.00 C ATOM 1733 OG SER A 113 13.683 -15.091 17.987 1.00 0.00 O ATOM 0 H SER A 113 14.460 -13.731 20.892 1.00 0.00 H new ATOM 0 HA SER A 113 13.727 -16.533 20.317 1.00 0.00 H new ATOM 0 HB2 SER A 113 15.623 -14.849 18.631 1.00 0.00 H new ATOM 0 HB3 SER A 113 15.139 -16.506 18.331 1.00 0.00 H new ATOM 0 HG SER A 113 13.937 -14.993 17.046 1.00 0.00 H new ATOM 1739 N SER A 114 16.310 -17.184 20.685 1.00 0.00 N ATOM 1740 CA SER A 114 17.515 -17.625 21.377 1.00 0.00 C ATOM 1741 C SER A 114 18.390 -18.471 20.458 1.00 0.00 C ATOM 1742 O SER A 114 17.943 -18.934 19.409 1.00 0.00 O ATOM 1743 CB SER A 114 17.146 -18.426 22.627 1.00 0.00 C ATOM 1744 OG SER A 114 16.451 -19.612 22.287 1.00 0.00 O ATOM 0 H SER A 114 15.996 -17.810 19.944 1.00 0.00 H new ATOM 0 HA SER A 114 18.078 -16.740 21.674 1.00 0.00 H new ATOM 0 HB2 SER A 114 18.050 -18.677 23.182 1.00 0.00 H new ATOM 0 HB3 SER A 114 16.528 -17.815 23.285 1.00 0.00 H new ATOM 0 HG SER A 114 16.228 -20.106 23.103 1.00 0.00 H new ATOM 1750 N GLY A 115 19.642 -18.670 20.860 1.00 0.00 N ATOM 1751 CA GLY A 115 20.561 -19.460 20.062 1.00 0.00 C ATOM 1752 C GLY A 115 22.012 -19.160 20.383 1.00 0.00 C ATOM 1753 O GLY A 115 22.383 -19.032 21.549 1.00 0.00 O ATOM 0 H GLY A 115 20.036 -18.298 21.724 1.00 0.00 H new ATOM 0 HA2 GLY A 115 20.366 -20.519 20.231 1.00 0.00 H new ATOM 0 HA3 GLY A 115 20.378 -19.267 19.005 1.00 0.00 H new TER 1757 GLY A 115