USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 615 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: X 10 TYR OH : rot -152:sc= -0.0195! USER MOD Set 1.2: X 40 HIS : no HE2:sc= -0.271 K(o=-0.29,f=-7.2!) USER MOD Single : X 4 LYS NZ :NH3+ -134:sc= 1.26 (180deg=-0.0251) USER MOD Single : X 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 8 SER OG : rot 180:sc= 0 USER MOD Single : X 11 THR OG1 : rot 180:sc= 0.721 USER MOD Single : X 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 26 ASN : amide:sc= -0.723! X(o=-0.72!,f=-0.23) USER MOD Single : X 30 THR OG1 : rot -62:sc= -2.85! USER MOD Single : X 43 LYS NZ :NH3+ -154:sc= -0.444 (180deg=-0.564) USER MOD Single : X 45 THR OG1 : rot 40:sc= -2.9! USER MOD Single : X 47 HIS : no HD1:sc= -2.62 K(o=-2.6,f=-3.9!) USER MOD Single : X 51 THR OG1 : rot 91:sc= 0.0359 USER MOD Single : X 55 TYR OH : rot 180:sc= 0 USER MOD Single : X 77 LYS NZ :NH3+ 169:sc= 1.22 (180deg=1.05) USER MOD Single : X 80 LYS NZ :NH3+ -179:sc= 1.09 (180deg=1.05) USER MOD Single : X 86 ASN : amide:sc= -3.71! C(o=-3.7!,f=-5.9!) USER MOD Single : X 88 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0118) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 GLN :FLIP amide:sc= -0.45 F(o=-1.6,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU X 3 61.356 6.239 6.230 1.00 0.00 N ATOM 17 CA LEU X 3 62.346 6.854 5.405 1.00 0.00 C ATOM 18 C LEU X 3 62.931 7.987 6.178 1.00 0.00 C ATOM 19 O LEU X 3 62.193 8.830 6.711 1.00 0.00 O ATOM 20 CB LEU X 3 61.718 7.412 4.135 1.00 0.00 C ATOM 21 CG LEU X 3 61.086 6.404 3.212 1.00 0.00 C ATOM 22 CD1 LEU X 3 60.513 7.099 1.983 1.00 0.00 C ATOM 23 CD2 LEU X 3 62.112 5.382 2.812 1.00 0.00 C ATOM 0 HA LEU X 3 63.101 6.118 5.128 1.00 0.00 H new ATOM 0 HB2 LEU X 3 60.959 8.141 4.419 1.00 0.00 H new ATOM 0 HB3 LEU X 3 62.486 7.951 3.580 1.00 0.00 H new ATOM 0 HG LEU X 3 60.268 5.903 3.730 1.00 0.00 H new ATOM 0 HD11 LEU X 3 60.059 6.358 1.325 1.00 0.00 H new ATOM 0 HD12 LEU X 3 59.757 7.821 2.292 1.00 0.00 H new ATOM 0 HD13 LEU X 3 61.312 7.616 1.452 1.00 0.00 H new ATOM 0 HD21 LEU X 3 61.656 4.651 2.144 1.00 0.00 H new ATOM 0 HD22 LEU X 3 62.938 5.876 2.300 1.00 0.00 H new ATOM 0 HD23 LEU X 3 62.487 4.876 3.701 1.00 0.00 H new ATOM 35 N LYS X 4 64.206 8.017 6.279 1.00 0.00 N ATOM 36 CA LYS X 4 64.861 9.083 6.960 1.00 0.00 C ATOM 37 C LYS X 4 65.484 9.947 5.902 1.00 0.00 C ATOM 38 O LYS X 4 65.838 9.451 4.844 1.00 0.00 O ATOM 39 CB LYS X 4 65.969 8.580 7.879 1.00 0.00 C ATOM 40 CG LYS X 4 65.728 7.269 8.624 1.00 0.00 C ATOM 41 CD LYS X 4 64.407 7.178 9.325 1.00 0.00 C ATOM 42 CE LYS X 4 64.532 6.183 10.467 1.00 0.00 C ATOM 43 NZ LYS X 4 63.252 5.817 11.122 1.00 0.00 N ATOM 0 H LYS X 4 64.830 7.308 5.895 1.00 0.00 H new ATOM 0 HA LYS X 4 64.137 9.617 7.576 1.00 0.00 H new ATOM 0 HB2 LYS X 4 66.874 8.466 7.283 1.00 0.00 H new ATOM 0 HB3 LYS X 4 66.170 9.355 8.619 1.00 0.00 H new ATOM 0 HG2 LYS X 4 65.804 6.445 7.915 1.00 0.00 H new ATOM 0 HG3 LYS X 4 66.523 7.133 9.357 1.00 0.00 H new ATOM 0 HD2 LYS X 4 64.113 8.156 9.706 1.00 0.00 H new ATOM 0 HD3 LYS X 4 63.631 6.860 8.629 1.00 0.00 H new ATOM 0 HE2 LYS X 4 65.002 5.275 10.088 1.00 0.00 H new ATOM 0 HE3 LYS X 4 65.202 6.599 11.220 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 63.369 5.850 12.155 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 62.511 6.488 10.835 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 62.978 4.856 10.836 1.00 0.00 H new ATOM 57 N ASN X 5 65.654 11.200 6.171 1.00 0.00 N ATOM 58 CA ASN X 5 66.195 12.089 5.170 1.00 0.00 C ATOM 59 C ASN X 5 67.701 11.988 5.072 1.00 0.00 C ATOM 60 O ASN X 5 68.304 12.495 4.133 1.00 0.00 O ATOM 61 CB ASN X 5 65.725 13.525 5.361 1.00 0.00 C ATOM 62 CG ASN X 5 64.231 13.659 5.156 1.00 0.00 C ATOM 63 OD1 ASN X 5 63.449 13.547 6.098 1.00 0.00 O ATOM 64 ND2 ASN X 5 63.819 13.881 3.941 1.00 0.00 N ATOM 0 H ASN X 5 65.431 11.638 7.065 1.00 0.00 H new ATOM 0 HA ASN X 5 65.797 11.758 4.211 1.00 0.00 H new ATOM 0 HB2 ASN X 5 65.986 13.863 6.364 1.00 0.00 H new ATOM 0 HB3 ASN X 5 66.248 14.175 4.660 1.00 0.00 H new ATOM 0 HD21 ASN X 5 62.821 13.967 3.749 1.00 0.00 H new ATOM 0 HD22 ASN X 5 64.494 13.969 3.182 1.00 0.00 H new ATOM 71 N SER X 6 68.306 11.330 6.020 1.00 0.00 N ATOM 72 CA SER X 6 69.707 11.081 5.965 1.00 0.00 C ATOM 73 C SER X 6 70.000 9.693 6.498 1.00 0.00 C ATOM 74 O SER X 6 69.176 9.111 7.219 1.00 0.00 O ATOM 75 CB SER X 6 70.481 12.143 6.728 1.00 0.00 C ATOM 76 OG SER X 6 70.062 12.222 8.079 1.00 0.00 O ATOM 0 H SER X 6 67.839 10.955 6.846 1.00 0.00 H new ATOM 0 HA SER X 6 70.034 11.130 4.926 1.00 0.00 H new ATOM 0 HB2 SER X 6 71.546 11.916 6.689 1.00 0.00 H new ATOM 0 HB3 SER X 6 70.344 13.111 6.246 1.00 0.00 H new ATOM 0 HG SER X 6 70.580 12.913 8.542 1.00 0.00 H new ATOM 82 N ILE X 7 71.178 9.183 6.183 1.00 0.00 N ATOM 83 CA ILE X 7 71.597 7.838 6.580 1.00 0.00 C ATOM 84 C ILE X 7 71.830 7.767 8.109 1.00 0.00 C ATOM 85 O ILE X 7 71.886 6.699 8.700 1.00 0.00 O ATOM 86 CB ILE X 7 72.919 7.452 5.834 1.00 0.00 C ATOM 87 CG1 ILE X 7 73.194 5.947 5.889 1.00 0.00 C ATOM 88 CG2 ILE X 7 74.110 8.223 6.385 1.00 0.00 C ATOM 89 CD1 ILE X 7 72.177 5.128 5.138 1.00 0.00 C ATOM 0 H ILE X 7 71.879 9.689 5.642 1.00 0.00 H new ATOM 0 HA ILE X 7 70.806 7.138 6.312 1.00 0.00 H new ATOM 0 HB ILE X 7 72.778 7.727 4.789 1.00 0.00 H new ATOM 0 HG12 ILE X 7 74.184 5.750 5.478 1.00 0.00 H new ATOM 0 HG13 ILE X 7 73.212 5.626 6.930 1.00 0.00 H new ATOM 0 HG21 ILE X 7 75.012 7.933 5.846 1.00 0.00 H new ATOM 0 HG22 ILE X 7 73.941 9.292 6.259 1.00 0.00 H new ATOM 0 HG23 ILE X 7 74.231 7.997 7.444 1.00 0.00 H new ATOM 0 HD11 ILE X 7 72.431 4.071 5.217 1.00 0.00 H new ATOM 0 HD12 ILE X 7 71.188 5.297 5.564 1.00 0.00 H new ATOM 0 HD13 ILE X 7 72.175 5.423 4.089 1.00 0.00 H new ATOM 101 N SER X 8 71.885 8.919 8.734 1.00 0.00 N ATOM 102 CA SER X 8 72.236 9.018 10.116 1.00 0.00 C ATOM 103 C SER X 8 71.084 8.643 11.044 1.00 0.00 C ATOM 104 O SER X 8 71.300 8.319 12.216 1.00 0.00 O ATOM 105 CB SER X 8 72.778 10.406 10.395 1.00 0.00 C ATOM 106 OG SER X 8 73.912 10.650 9.566 1.00 0.00 O ATOM 0 H SER X 8 71.685 9.815 8.289 1.00 0.00 H new ATOM 0 HA SER X 8 73.017 8.288 10.328 1.00 0.00 H new ATOM 0 HB2 SER X 8 72.008 11.154 10.205 1.00 0.00 H new ATOM 0 HB3 SER X 8 73.056 10.495 11.445 1.00 0.00 H new ATOM 0 HG SER X 8 74.261 11.548 9.745 1.00 0.00 H new ATOM 112 N ASP X 9 69.876 8.641 10.527 1.00 0.00 N ATOM 113 CA ASP X 9 68.749 8.233 11.346 1.00 0.00 C ATOM 114 C ASP X 9 68.376 6.817 10.953 1.00 0.00 C ATOM 115 O ASP X 9 67.430 6.227 11.464 1.00 0.00 O ATOM 116 CB ASP X 9 67.548 9.154 11.151 1.00 0.00 C ATOM 117 CG ASP X 9 66.559 9.087 12.304 1.00 0.00 C ATOM 118 OD1 ASP X 9 66.929 9.426 13.447 1.00 0.00 O ATOM 119 OD2 ASP X 9 65.388 8.760 12.095 1.00 0.00 O ATOM 0 H ASP X 9 69.648 8.909 9.570 1.00 0.00 H new ATOM 0 HA ASP X 9 69.033 8.288 12.397 1.00 0.00 H new ATOM 0 HB2 ASP X 9 67.898 10.180 11.038 1.00 0.00 H new ATOM 0 HB3 ASP X 9 67.038 8.887 10.225 1.00 0.00 H new ATOM 124 N TYR X 10 69.182 6.251 10.083 1.00 0.00 N ATOM 125 CA TYR X 10 68.928 4.945 9.551 1.00 0.00 C ATOM 126 C TYR X 10 69.639 3.936 10.342 1.00 0.00 C ATOM 127 O TYR X 10 70.870 3.936 10.407 1.00 0.00 O ATOM 128 CB TYR X 10 69.331 4.792 8.064 1.00 0.00 C ATOM 129 CG TYR X 10 68.211 5.006 7.072 1.00 0.00 C ATOM 130 CD1 TYR X 10 67.276 4.000 6.837 1.00 0.00 C ATOM 131 CD2 TYR X 10 68.075 6.194 6.381 1.00 0.00 C ATOM 132 CE1 TYR X 10 66.238 4.176 5.943 1.00 0.00 C ATOM 133 CE2 TYR X 10 67.032 6.385 5.494 1.00 0.00 C ATOM 134 CZ TYR X 10 66.121 5.370 5.282 1.00 0.00 C ATOM 135 OH TYR X 10 65.073 5.565 4.436 1.00 0.00 O ATOM 0 H TYR X 10 70.032 6.690 9.728 1.00 0.00 H new ATOM 0 HA TYR X 10 67.849 4.800 9.609 1.00 0.00 H new ATOM 0 HB2 TYR X 10 70.130 5.501 7.845 1.00 0.00 H new ATOM 0 HB3 TYR X 10 69.741 3.793 7.916 1.00 0.00 H new ATOM 0 HD1 TYR X 10 67.365 3.062 7.365 1.00 0.00 H new ATOM 0 HD2 TYR X 10 68.794 6.985 6.536 1.00 0.00 H new ATOM 0 HE1 TYR X 10 65.527 3.382 5.767 1.00 0.00 H new ATOM 0 HE2 TYR X 10 66.931 7.324 4.970 1.00 0.00 H new ATOM 0 HH TYR X 10 65.331 6.202 3.737 1.00 0.00 H new ATOM 145 N THR X 11 68.895 3.112 10.996 1.00 0.00 N ATOM 146 CA THR X 11 69.464 1.997 11.631 1.00 0.00 C ATOM 147 C THR X 11 69.709 1.032 10.492 1.00 0.00 C ATOM 148 O THR X 11 69.056 1.164 9.419 1.00 0.00 O ATOM 149 CB THR X 11 68.480 1.377 12.662 1.00 0.00 C ATOM 150 OG1 THR X 11 67.345 0.846 11.992 1.00 0.00 O ATOM 151 CG2 THR X 11 67.991 2.429 13.647 1.00 0.00 C ATOM 0 H THR X 11 67.884 3.199 11.100 1.00 0.00 H new ATOM 0 HA THR X 11 70.366 2.247 12.189 1.00 0.00 H new ATOM 0 HB THR X 11 69.014 0.591 13.197 1.00 0.00 H new ATOM 0 HG1 THR X 11 66.731 0.456 12.648 1.00 0.00 H new ATOM 0 HG21 THR X 11 67.304 1.970 14.358 1.00 0.00 H new ATOM 0 HG22 THR X 11 68.842 2.848 14.184 1.00 0.00 H new ATOM 0 HG23 THR X 11 67.476 3.223 13.106 1.00 0.00 H new ATOM 159 N GLU X 12 70.602 0.116 10.635 1.00 0.00 N ATOM 160 CA GLU X 12 70.821 -0.800 9.552 1.00 0.00 C ATOM 161 C GLU X 12 69.593 -1.667 9.288 1.00 0.00 C ATOM 162 O GLU X 12 69.355 -2.078 8.152 1.00 0.00 O ATOM 163 CB GLU X 12 72.111 -1.581 9.700 1.00 0.00 C ATOM 164 CG GLU X 12 72.363 -2.143 11.067 1.00 0.00 C ATOM 165 CD GLU X 12 73.652 -2.885 11.100 1.00 0.00 C ATOM 166 OE1 GLU X 12 73.661 -4.098 10.816 1.00 0.00 O ATOM 167 OE2 GLU X 12 74.693 -2.280 11.371 1.00 0.00 O ATOM 0 H GLU X 12 71.182 -0.024 11.462 1.00 0.00 H new ATOM 0 HA GLU X 12 70.962 -0.207 8.648 1.00 0.00 H new ATOM 0 HB2 GLU X 12 72.105 -2.402 8.983 1.00 0.00 H new ATOM 0 HB3 GLU X 12 72.944 -0.930 9.433 1.00 0.00 H new ATOM 0 HG2 GLU X 12 72.383 -1.336 11.800 1.00 0.00 H new ATOM 0 HG3 GLU X 12 71.547 -2.809 11.348 1.00 0.00 H new ATOM 174 N ALA X 13 68.783 -1.871 10.322 1.00 0.00 N ATOM 175 CA ALA X 13 67.528 -2.581 10.179 1.00 0.00 C ATOM 176 C ALA X 13 66.517 -1.740 9.391 1.00 0.00 C ATOM 177 O ALA X 13 65.858 -2.260 8.504 1.00 0.00 O ATOM 178 CB ALA X 13 66.965 -2.993 11.523 1.00 0.00 C ATOM 0 H ALA X 13 68.980 -1.551 11.270 1.00 0.00 H new ATOM 0 HA ALA X 13 67.725 -3.494 9.617 1.00 0.00 H new ATOM 0 HB1 ALA X 13 66.024 -3.523 11.376 1.00 0.00 H new ATOM 0 HB2 ALA X 13 67.675 -3.647 12.030 1.00 0.00 H new ATOM 0 HB3 ALA X 13 66.791 -2.106 12.132 1.00 0.00 H new ATOM 184 N GLU X 14 66.421 -0.425 9.702 1.00 0.00 N ATOM 185 CA GLU X 14 65.540 0.506 8.953 1.00 0.00 C ATOM 186 C GLU X 14 65.911 0.489 7.504 1.00 0.00 C ATOM 187 O GLU X 14 65.045 0.467 6.619 1.00 0.00 O ATOM 188 CB GLU X 14 65.682 1.963 9.455 1.00 0.00 C ATOM 189 CG GLU X 14 64.892 2.320 10.696 1.00 0.00 C ATOM 190 CD GLU X 14 63.402 2.358 10.454 1.00 0.00 C ATOM 191 OE1 GLU X 14 62.891 3.387 9.928 1.00 0.00 O ATOM 192 OE2 GLU X 14 62.705 1.395 10.827 1.00 0.00 O ATOM 0 H GLU X 14 66.940 0.014 10.462 1.00 0.00 H new ATOM 0 HA GLU X 14 64.514 0.173 9.107 1.00 0.00 H new ATOM 0 HB2 GLU X 14 66.736 2.157 9.652 1.00 0.00 H new ATOM 0 HB3 GLU X 14 65.379 2.634 8.651 1.00 0.00 H new ATOM 0 HG2 GLU X 14 65.109 1.594 11.480 1.00 0.00 H new ATOM 0 HG3 GLU X 14 65.220 3.293 11.062 1.00 0.00 H new ATOM 199 N PHE X 15 67.198 0.475 7.269 1.00 0.00 N ATOM 200 CA PHE X 15 67.723 0.498 5.949 1.00 0.00 C ATOM 201 C PHE X 15 67.339 -0.759 5.220 1.00 0.00 C ATOM 202 O PHE X 15 66.681 -0.693 4.195 1.00 0.00 O ATOM 203 CB PHE X 15 69.223 0.622 5.983 1.00 0.00 C ATOM 204 CG PHE X 15 69.808 1.144 4.716 1.00 0.00 C ATOM 205 CD1 PHE X 15 69.601 2.460 4.343 1.00 0.00 C ATOM 206 CD2 PHE X 15 70.582 0.342 3.916 1.00 0.00 C ATOM 207 CE1 PHE X 15 70.157 2.957 3.189 1.00 0.00 C ATOM 208 CE2 PHE X 15 71.143 0.832 2.767 1.00 0.00 C ATOM 209 CZ PHE X 15 70.931 2.146 2.404 1.00 0.00 C ATOM 0 H PHE X 15 67.908 0.447 8.001 1.00 0.00 H new ATOM 0 HA PHE X 15 67.307 1.360 5.427 1.00 0.00 H new ATOM 0 HB2 PHE X 15 69.506 1.282 6.803 1.00 0.00 H new ATOM 0 HB3 PHE X 15 69.655 -0.356 6.197 1.00 0.00 H new ATOM 0 HD1 PHE X 15 68.996 3.103 4.965 1.00 0.00 H new ATOM 0 HD2 PHE X 15 70.751 -0.687 4.196 1.00 0.00 H new ATOM 0 HE1 PHE X 15 69.984 3.984 2.902 1.00 0.00 H new ATOM 0 HE2 PHE X 15 71.751 0.191 2.146 1.00 0.00 H new ATOM 0 HZ PHE X 15 71.376 2.535 1.500 1.00 0.00 H new ATOM 219 N VAL X 16 67.724 -1.910 5.761 1.00 0.00 N ATOM 220 CA VAL X 16 67.434 -3.163 5.108 1.00 0.00 C ATOM 221 C VAL X 16 65.946 -3.449 4.991 1.00 0.00 C ATOM 222 O VAL X 16 65.524 -4.085 4.058 1.00 0.00 O ATOM 223 CB VAL X 16 68.225 -4.370 5.648 1.00 0.00 C ATOM 224 CG1 VAL X 16 67.913 -4.643 7.035 1.00 0.00 C ATOM 225 CG2 VAL X 16 68.059 -5.613 4.802 1.00 0.00 C ATOM 0 H VAL X 16 68.232 -1.992 6.642 1.00 0.00 H new ATOM 0 HA VAL X 16 67.804 -3.019 4.093 1.00 0.00 H new ATOM 0 HB VAL X 16 69.276 -4.086 5.587 1.00 0.00 H new ATOM 0 HG11 VAL X 16 68.492 -5.501 7.376 1.00 0.00 H new ATOM 0 HG12 VAL X 16 68.162 -3.773 7.642 1.00 0.00 H new ATOM 0 HG13 VAL X 16 66.849 -4.861 7.133 1.00 0.00 H new ATOM 0 HG21 VAL X 16 68.640 -6.428 5.234 1.00 0.00 H new ATOM 0 HG22 VAL X 16 67.006 -5.895 4.772 1.00 0.00 H new ATOM 0 HG23 VAL X 16 68.411 -5.414 3.790 1.00 0.00 H new ATOM 235 N GLN X 17 65.156 -2.955 5.918 1.00 0.00 N ATOM 236 CA GLN X 17 63.736 -3.087 5.840 1.00 0.00 C ATOM 237 C GLN X 17 63.243 -2.411 4.564 1.00 0.00 C ATOM 238 O GLN X 17 62.419 -2.963 3.816 1.00 0.00 O ATOM 239 CB GLN X 17 63.111 -2.418 7.037 1.00 0.00 C ATOM 240 CG GLN X 17 61.626 -2.434 7.013 1.00 0.00 C ATOM 241 CD GLN X 17 61.025 -1.572 8.079 1.00 0.00 C ATOM 242 OE1 GLN X 17 60.776 -2.019 9.186 1.00 0.00 O ATOM 243 NE2 GLN X 17 60.790 -0.333 7.760 1.00 0.00 N ATOM 0 H GLN X 17 65.488 -2.453 6.742 1.00 0.00 H new ATOM 0 HA GLN X 17 63.460 -4.141 5.826 1.00 0.00 H new ATOM 0 HB2 GLN X 17 63.458 -2.914 7.943 1.00 0.00 H new ATOM 0 HB3 GLN X 17 63.455 -1.385 7.087 1.00 0.00 H new ATOM 0 HG2 GLN X 17 61.278 -2.095 6.037 1.00 0.00 H new ATOM 0 HG3 GLN X 17 61.275 -3.458 7.138 1.00 0.00 H new ATOM 0 HE21 GLN X 17 61.012 0.003 6.823 1.00 0.00 H new ATOM 0 HE22 GLN X 17 60.383 0.302 8.447 1.00 0.00 H new ATOM 252 N LEU X 18 63.771 -1.228 4.321 1.00 0.00 N ATOM 253 CA LEU X 18 63.451 -0.468 3.146 1.00 0.00 C ATOM 254 C LEU X 18 64.005 -1.202 1.927 1.00 0.00 C ATOM 255 O LEU X 18 63.354 -1.334 0.906 1.00 0.00 O ATOM 256 CB LEU X 18 64.015 0.967 3.301 1.00 0.00 C ATOM 257 CG LEU X 18 63.580 2.030 2.272 1.00 0.00 C ATOM 258 CD1 LEU X 18 64.262 1.863 0.938 1.00 0.00 C ATOM 259 CD2 LEU X 18 62.070 2.030 2.104 1.00 0.00 C ATOM 0 H LEU X 18 64.438 -0.770 4.942 1.00 0.00 H new ATOM 0 HA LEU X 18 62.374 -0.373 3.010 1.00 0.00 H new ATOM 0 HB2 LEU X 18 63.740 1.329 4.292 1.00 0.00 H new ATOM 0 HB3 LEU X 18 65.103 0.903 3.276 1.00 0.00 H new ATOM 0 HG LEU X 18 63.893 2.996 2.668 1.00 0.00 H new ATOM 0 HD11 LEU X 18 63.918 2.638 0.254 1.00 0.00 H new ATOM 0 HD12 LEU X 18 65.341 1.947 1.068 1.00 0.00 H new ATOM 0 HD13 LEU X 18 64.021 0.883 0.526 1.00 0.00 H new ATOM 0 HD21 LEU X 18 61.785 2.787 1.374 1.00 0.00 H new ATOM 0 HD22 LEU X 18 61.743 1.050 1.757 1.00 0.00 H new ATOM 0 HD23 LEU X 18 61.597 2.253 3.061 1.00 0.00 H new ATOM 271 N LEU X 19 65.183 -1.718 2.089 1.00 0.00 N ATOM 272 CA LEU X 19 65.859 -2.502 1.082 1.00 0.00 C ATOM 273 C LEU X 19 65.047 -3.738 0.661 1.00 0.00 C ATOM 274 O LEU X 19 65.046 -4.135 -0.504 1.00 0.00 O ATOM 275 CB LEU X 19 67.160 -2.952 1.632 1.00 0.00 C ATOM 276 CG LEU X 19 68.194 -1.858 1.889 1.00 0.00 C ATOM 277 CD1 LEU X 19 69.505 -2.461 2.233 1.00 0.00 C ATOM 278 CD2 LEU X 19 68.327 -0.895 0.718 1.00 0.00 C ATOM 0 H LEU X 19 65.723 -1.607 2.947 1.00 0.00 H new ATOM 0 HA LEU X 19 65.991 -1.875 0.200 1.00 0.00 H new ATOM 0 HB2 LEU X 19 66.974 -3.475 2.570 1.00 0.00 H new ATOM 0 HB3 LEU X 19 67.592 -3.677 0.942 1.00 0.00 H new ATOM 0 HG LEU X 19 67.841 -1.270 2.736 1.00 0.00 H new ATOM 0 HD11 LEU X 19 70.233 -1.670 2.414 1.00 0.00 H new ATOM 0 HD12 LEU X 19 69.401 -3.070 3.131 1.00 0.00 H new ATOM 0 HD13 LEU X 19 69.846 -3.086 1.408 1.00 0.00 H new ATOM 0 HD21 LEU X 19 69.075 -0.137 0.953 1.00 0.00 H new ATOM 0 HD22 LEU X 19 68.634 -1.444 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU X 19 67.367 -0.412 0.533 1.00 0.00 H new ATOM 290 N LYS X 20 64.366 -4.341 1.623 1.00 0.00 N ATOM 291 CA LYS X 20 63.536 -5.512 1.384 1.00 0.00 C ATOM 292 C LYS X 20 62.346 -5.174 0.522 1.00 0.00 C ATOM 293 O LYS X 20 61.928 -5.985 -0.319 1.00 0.00 O ATOM 294 CB LYS X 20 63.102 -6.176 2.696 1.00 0.00 C ATOM 295 CG LYS X 20 64.270 -6.730 3.488 1.00 0.00 C ATOM 296 CD LYS X 20 63.849 -7.505 4.714 1.00 0.00 C ATOM 297 CE LYS X 20 63.231 -8.849 4.347 1.00 0.00 C ATOM 298 NZ LYS X 20 62.957 -9.666 5.543 1.00 0.00 N ATOM 0 H LYS X 20 64.373 -4.031 2.595 1.00 0.00 H new ATOM 0 HA LYS X 20 64.145 -6.235 0.840 1.00 0.00 H new ATOM 0 HB2 LYS X 20 62.567 -5.449 3.307 1.00 0.00 H new ATOM 0 HB3 LYS X 20 62.403 -6.983 2.476 1.00 0.00 H new ATOM 0 HG2 LYS X 20 64.862 -7.379 2.843 1.00 0.00 H new ATOM 0 HG3 LYS X 20 64.917 -5.907 3.792 1.00 0.00 H new ATOM 0 HD2 LYS X 20 64.714 -7.666 5.358 1.00 0.00 H new ATOM 0 HD3 LYS X 20 63.131 -6.918 5.286 1.00 0.00 H new ATOM 0 HE2 LYS X 20 62.304 -8.686 3.797 1.00 0.00 H new ATOM 0 HE3 LYS X 20 63.904 -9.390 3.683 1.00 0.00 H new ATOM 0 HZ1 LYS X 20 62.537 -10.573 5.255 1.00 0.00 H new ATOM 0 HZ2 LYS X 20 63.846 -9.842 6.054 1.00 0.00 H new ATOM 0 HZ3 LYS X 20 62.295 -9.160 6.165 1.00 0.00 H new ATOM 312 N GLU X 21 61.798 -3.987 0.698 1.00 0.00 N ATOM 313 CA GLU X 21 60.707 -3.592 -0.143 1.00 0.00 C ATOM 314 C GLU X 21 61.200 -3.213 -1.522 1.00 0.00 C ATOM 315 O GLU X 21 60.507 -3.444 -2.507 1.00 0.00 O ATOM 316 CB GLU X 21 59.770 -2.558 0.490 1.00 0.00 C ATOM 317 CG GLU X 21 60.383 -1.255 0.922 1.00 0.00 C ATOM 318 CD GLU X 21 59.395 -0.407 1.666 1.00 0.00 C ATOM 319 OE1 GLU X 21 59.096 -0.729 2.832 1.00 0.00 O ATOM 320 OE2 GLU X 21 58.854 0.558 1.094 1.00 0.00 O ATOM 0 H GLU X 21 62.086 -3.303 1.397 1.00 0.00 H new ATOM 0 HA GLU X 21 60.067 -4.466 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU X 21 58.976 -2.339 -0.224 1.00 0.00 H new ATOM 0 HB3 GLU X 21 59.299 -3.016 1.360 1.00 0.00 H new ATOM 0 HG2 GLU X 21 61.248 -1.450 1.556 1.00 0.00 H new ATOM 0 HG3 GLU X 21 60.744 -0.713 0.048 1.00 0.00 H new ATOM 327 N ILE X 22 62.421 -2.678 -1.583 1.00 0.00 N ATOM 328 CA ILE X 22 63.091 -2.386 -2.862 1.00 0.00 C ATOM 329 C ILE X 22 63.263 -3.683 -3.669 1.00 0.00 C ATOM 330 O ILE X 22 63.075 -3.712 -4.870 1.00 0.00 O ATOM 331 CB ILE X 22 64.493 -1.742 -2.673 1.00 0.00 C ATOM 332 CG1 ILE X 22 64.406 -0.440 -1.887 1.00 0.00 C ATOM 333 CG2 ILE X 22 65.140 -1.492 -4.017 1.00 0.00 C ATOM 334 CD1 ILE X 22 65.736 0.273 -1.729 1.00 0.00 C ATOM 0 H ILE X 22 62.972 -2.435 -0.760 1.00 0.00 H new ATOM 0 HA ILE X 22 62.457 -1.674 -3.390 1.00 0.00 H new ATOM 0 HB ILE X 22 65.106 -2.440 -2.103 1.00 0.00 H new ATOM 0 HG12 ILE X 22 63.704 0.228 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE X 22 63.998 -0.650 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE X 22 66.121 -1.041 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE X 22 65.251 -2.437 -4.549 1.00 0.00 H new ATOM 0 HG23 ILE X 22 64.515 -0.818 -4.602 1.00 0.00 H new ATOM 0 HD11 ILE X 22 65.591 1.191 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE X 22 66.436 -0.375 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE X 22 66.137 0.517 -2.713 1.00 0.00 H new ATOM 346 N GLU X 23 63.603 -4.765 -2.994 1.00 0.00 N ATOM 347 CA GLU X 23 63.728 -6.035 -3.643 1.00 0.00 C ATOM 348 C GLU X 23 62.405 -6.403 -4.309 1.00 0.00 C ATOM 349 O GLU X 23 62.363 -6.850 -5.457 1.00 0.00 O ATOM 350 CB GLU X 23 64.129 -7.097 -2.623 1.00 0.00 C ATOM 351 CG GLU X 23 63.904 -8.490 -3.125 1.00 0.00 C ATOM 352 CD GLU X 23 64.217 -9.555 -2.115 1.00 0.00 C ATOM 353 OE1 GLU X 23 63.369 -9.817 -1.233 1.00 0.00 O ATOM 354 OE2 GLU X 23 65.297 -10.163 -2.194 1.00 0.00 O ATOM 0 H GLU X 23 63.796 -4.779 -1.993 1.00 0.00 H new ATOM 0 HA GLU X 23 64.501 -5.979 -4.409 1.00 0.00 H new ATOM 0 HB2 GLU X 23 65.181 -6.972 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU X 23 63.559 -6.949 -1.706 1.00 0.00 H new ATOM 0 HG2 GLU X 23 62.864 -8.591 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU X 23 64.518 -8.651 -4.011 1.00 0.00 H new ATOM 361 N LYS X 24 61.339 -6.132 -3.608 1.00 0.00 N ATOM 362 CA LYS X 24 60.039 -6.481 -4.057 1.00 0.00 C ATOM 363 C LYS X 24 59.587 -5.582 -5.224 1.00 0.00 C ATOM 364 O LYS X 24 59.140 -6.084 -6.252 1.00 0.00 O ATOM 365 CB LYS X 24 59.061 -6.411 -2.897 1.00 0.00 C ATOM 366 CG LYS X 24 57.690 -6.980 -3.206 1.00 0.00 C ATOM 367 CD LYS X 24 57.732 -8.479 -3.467 1.00 0.00 C ATOM 368 CE LYS X 24 58.239 -9.255 -2.262 1.00 0.00 C ATOM 369 NZ LYS X 24 58.254 -10.705 -2.503 1.00 0.00 N ATOM 0 H LYS X 24 61.358 -5.659 -2.704 1.00 0.00 H new ATOM 0 HA LYS X 24 60.064 -7.503 -4.434 1.00 0.00 H new ATOM 0 HB2 LYS X 24 59.483 -6.949 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS X 24 58.950 -5.370 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS X 24 57.019 -6.777 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS X 24 57.277 -6.473 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS X 24 56.734 -8.829 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS X 24 58.375 -8.680 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS X 24 59.246 -8.919 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS X 24 57.608 -9.038 -1.400 1.00 0.00 H new ATOM 0 HZ1 LYS X 24 58.606 -11.194 -1.656 1.00 0.00 H new ATOM 0 HZ2 LYS X 24 57.290 -11.032 -2.715 1.00 0.00 H new ATOM 0 HZ3 LYS X 24 58.876 -10.917 -3.309 1.00 0.00 H new ATOM 383 N GLU X 25 59.745 -4.271 -5.091 1.00 0.00 N ATOM 384 CA GLU X 25 59.286 -3.356 -6.138 1.00 0.00 C ATOM 385 C GLU X 25 60.187 -3.332 -7.363 1.00 0.00 C ATOM 386 O GLU X 25 59.757 -2.932 -8.441 1.00 0.00 O ATOM 387 CB GLU X 25 58.886 -1.955 -5.599 1.00 0.00 C ATOM 388 CG GLU X 25 59.865 -1.294 -4.652 1.00 0.00 C ATOM 389 CD GLU X 25 61.048 -0.694 -5.340 1.00 0.00 C ATOM 390 OE1 GLU X 25 61.992 -1.407 -5.633 1.00 0.00 O ATOM 391 OE2 GLU X 25 61.019 0.487 -5.577 1.00 0.00 O ATOM 0 H GLU X 25 60.179 -3.820 -4.286 1.00 0.00 H new ATOM 0 HA GLU X 25 58.351 -3.778 -6.508 1.00 0.00 H new ATOM 0 HB2 GLU X 25 58.734 -1.292 -6.451 1.00 0.00 H new ATOM 0 HB3 GLU X 25 57.926 -2.046 -5.090 1.00 0.00 H new ATOM 0 HG2 GLU X 25 59.347 -0.515 -4.092 1.00 0.00 H new ATOM 0 HG3 GLU X 25 60.211 -2.031 -3.927 1.00 0.00 H new ATOM 398 N ASN X 26 61.413 -3.781 -7.203 1.00 0.00 N ATOM 399 CA ASN X 26 62.323 -3.939 -8.322 1.00 0.00 C ATOM 400 C ASN X 26 61.996 -5.169 -9.126 1.00 0.00 C ATOM 401 O ASN X 26 62.000 -5.123 -10.354 1.00 0.00 O ATOM 402 CB ASN X 26 63.781 -3.950 -7.872 1.00 0.00 C ATOM 403 CG ASN X 26 64.459 -2.607 -8.057 1.00 0.00 C ATOM 404 OD1 ASN X 26 65.156 -2.388 -9.053 1.00 0.00 O ATOM 405 ND2 ASN X 26 64.192 -1.681 -7.186 1.00 0.00 N ATOM 0 H ASN X 26 61.807 -4.046 -6.300 1.00 0.00 H new ATOM 0 HA ASN X 26 62.188 -3.071 -8.968 1.00 0.00 H new ATOM 0 HB2 ASN X 26 63.831 -4.236 -6.821 1.00 0.00 H new ATOM 0 HB3 ASN X 26 64.325 -4.708 -8.435 1.00 0.00 H new ATOM 0 HD21 ASN X 26 64.562 -0.739 -7.314 1.00 0.00 H new ATOM 0 HD22 ASN X 26 63.613 -1.896 -6.374 1.00 0.00 H new ATOM 412 N VAL X 27 61.684 -6.277 -8.459 1.00 0.00 N ATOM 413 CA VAL X 27 61.335 -7.486 -9.195 1.00 0.00 C ATOM 414 C VAL X 27 59.925 -7.394 -9.778 1.00 0.00 C ATOM 415 O VAL X 27 59.674 -7.882 -10.878 1.00 0.00 O ATOM 416 CB VAL X 27 61.524 -8.812 -8.385 1.00 0.00 C ATOM 417 CG1 VAL X 27 62.973 -8.981 -7.960 1.00 0.00 C ATOM 418 CG2 VAL X 27 60.600 -8.887 -7.178 1.00 0.00 C ATOM 0 H VAL X 27 61.665 -6.363 -7.443 1.00 0.00 H new ATOM 0 HA VAL X 27 62.053 -7.540 -10.013 1.00 0.00 H new ATOM 0 HB VAL X 27 61.254 -9.633 -9.049 1.00 0.00 H new ATOM 0 HG11 VAL X 27 63.082 -9.909 -7.398 1.00 0.00 H new ATOM 0 HG12 VAL X 27 63.610 -9.015 -8.844 1.00 0.00 H new ATOM 0 HG13 VAL X 27 63.268 -8.140 -7.332 1.00 0.00 H new ATOM 0 HG21 VAL X 27 60.768 -9.825 -6.649 1.00 0.00 H new ATOM 0 HG22 VAL X 27 60.806 -8.051 -6.510 1.00 0.00 H new ATOM 0 HG23 VAL X 27 59.563 -8.839 -7.510 1.00 0.00 H new ATOM 428 N ALA X 28 59.019 -6.733 -9.058 1.00 0.00 N ATOM 429 CA ALA X 28 57.654 -6.547 -9.536 1.00 0.00 C ATOM 430 C ALA X 28 57.600 -5.434 -10.570 1.00 0.00 C ATOM 431 O ALA X 28 56.761 -5.455 -11.473 1.00 0.00 O ATOM 432 CB ALA X 28 56.713 -6.244 -8.380 1.00 0.00 C ATOM 0 H ALA X 28 59.207 -6.319 -8.145 1.00 0.00 H new ATOM 0 HA ALA X 28 57.329 -7.475 -10.006 1.00 0.00 H new ATOM 0 HB1 ALA X 28 55.701 -6.109 -8.761 1.00 0.00 H new ATOM 0 HB2 ALA X 28 56.727 -7.073 -7.672 1.00 0.00 H new ATOM 0 HB3 ALA X 28 57.036 -5.332 -7.877 1.00 0.00 H new ATOM 438 N ALA X 29 58.522 -4.482 -10.425 1.00 0.00 N ATOM 439 CA ALA X 29 58.664 -3.309 -11.286 1.00 0.00 C ATOM 440 C ALA X 29 57.505 -2.336 -11.119 1.00 0.00 C ATOM 441 O ALA X 29 56.433 -2.513 -11.696 1.00 0.00 O ATOM 442 CB ALA X 29 58.888 -3.677 -12.757 1.00 0.00 C ATOM 0 H ALA X 29 59.215 -4.508 -9.677 1.00 0.00 H new ATOM 0 HA ALA X 29 59.568 -2.797 -10.955 1.00 0.00 H new ATOM 0 HB1 ALA X 29 58.986 -2.767 -13.349 1.00 0.00 H new ATOM 0 HB2 ALA X 29 59.798 -4.270 -12.849 1.00 0.00 H new ATOM 0 HB3 ALA X 29 58.039 -4.256 -13.121 1.00 0.00 H new ATOM 448 N THR X 30 57.703 -1.346 -10.288 1.00 0.00 N ATOM 449 CA THR X 30 56.711 -0.307 -10.109 1.00 0.00 C ATOM 450 C THR X 30 57.263 0.943 -10.779 1.00 0.00 C ATOM 451 O THR X 30 58.284 0.856 -11.466 1.00 0.00 O ATOM 452 CB THR X 30 56.443 -0.027 -8.607 1.00 0.00 C ATOM 453 OG1 THR X 30 57.592 0.571 -7.996 1.00 0.00 O ATOM 454 CG2 THR X 30 56.128 -1.312 -7.880 1.00 0.00 C ATOM 0 H THR X 30 58.543 -1.233 -9.721 1.00 0.00 H new ATOM 0 HA THR X 30 55.762 -0.615 -10.548 1.00 0.00 H new ATOM 0 HB THR X 30 55.594 0.653 -8.540 1.00 0.00 H new ATOM 0 HG1 THR X 30 58.349 -0.050 -8.045 1.00 0.00 H new ATOM 0 HG21 THR X 30 55.942 -1.098 -6.827 1.00 0.00 H new ATOM 0 HG22 THR X 30 55.242 -1.771 -8.319 1.00 0.00 H new ATOM 0 HG23 THR X 30 56.972 -1.996 -7.968 1.00 0.00 H new ATOM 462 N ASP X 31 56.637 2.082 -10.617 1.00 0.00 N ATOM 463 CA ASP X 31 57.206 3.282 -11.218 1.00 0.00 C ATOM 464 C ASP X 31 57.168 4.461 -10.277 1.00 0.00 C ATOM 465 O ASP X 31 57.926 5.427 -10.450 1.00 0.00 O ATOM 466 CB ASP X 31 56.578 3.644 -12.583 1.00 0.00 C ATOM 467 CG ASP X 31 55.216 4.319 -12.491 1.00 0.00 C ATOM 468 OD1 ASP X 31 54.181 3.612 -12.403 1.00 0.00 O ATOM 469 OD2 ASP X 31 55.157 5.577 -12.530 1.00 0.00 O ATOM 0 H ASP X 31 55.769 2.213 -10.098 1.00 0.00 H new ATOM 0 HA ASP X 31 58.250 3.038 -11.412 1.00 0.00 H new ATOM 0 HB2 ASP X 31 57.261 4.303 -13.120 1.00 0.00 H new ATOM 0 HB3 ASP X 31 56.480 2.735 -13.176 1.00 0.00 H new ATOM 474 N ASP X 32 56.321 4.406 -9.284 1.00 0.00 N ATOM 475 CA ASP X 32 56.264 5.500 -8.343 1.00 0.00 C ATOM 476 C ASP X 32 57.295 5.291 -7.287 1.00 0.00 C ATOM 477 O ASP X 32 58.266 6.031 -7.207 1.00 0.00 O ATOM 478 CB ASP X 32 54.879 5.677 -7.679 1.00 0.00 C ATOM 479 CG ASP X 32 53.759 6.005 -8.628 1.00 0.00 C ATOM 480 OD1 ASP X 32 53.513 7.194 -8.887 1.00 0.00 O ATOM 481 OD2 ASP X 32 53.078 5.084 -9.108 1.00 0.00 O ATOM 0 H ASP X 32 55.675 3.638 -9.105 1.00 0.00 H new ATOM 0 HA ASP X 32 56.456 6.412 -8.909 1.00 0.00 H new ATOM 0 HB2 ASP X 32 54.628 4.760 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP X 32 54.948 6.469 -6.934 1.00 0.00 H new ATOM 486 N VAL X 33 57.153 4.207 -6.558 1.00 0.00 N ATOM 487 CA VAL X 33 57.988 3.971 -5.395 1.00 0.00 C ATOM 488 C VAL X 33 59.363 3.518 -5.829 1.00 0.00 C ATOM 489 O VAL X 33 60.339 3.828 -5.186 1.00 0.00 O ATOM 490 CB VAL X 33 57.334 2.982 -4.380 1.00 0.00 C ATOM 491 CG1 VAL X 33 57.329 1.545 -4.860 1.00 0.00 C ATOM 492 CG2 VAL X 33 57.934 3.106 -2.994 1.00 0.00 C ATOM 0 H VAL X 33 56.469 3.474 -6.747 1.00 0.00 H new ATOM 0 HA VAL X 33 58.092 4.914 -4.859 1.00 0.00 H new ATOM 0 HB VAL X 33 56.288 3.282 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL X 33 56.860 0.911 -4.107 1.00 0.00 H new ATOM 0 HG12 VAL X 33 56.769 1.475 -5.793 1.00 0.00 H new ATOM 0 HG13 VAL X 33 58.354 1.213 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL X 33 57.448 2.399 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL X 33 59.001 2.889 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL X 33 57.785 4.120 -2.623 1.00 0.00 H new ATOM 502 N LEU X 34 59.405 2.903 -6.997 1.00 0.00 N ATOM 503 CA LEU X 34 60.631 2.413 -7.618 1.00 0.00 C ATOM 504 C LEU X 34 61.572 3.571 -7.807 1.00 0.00 C ATOM 505 O LEU X 34 62.731 3.499 -7.441 1.00 0.00 O ATOM 506 CB LEU X 34 60.237 1.765 -8.964 1.00 0.00 C ATOM 507 CG LEU X 34 61.255 0.932 -9.771 1.00 0.00 C ATOM 508 CD1 LEU X 34 62.318 1.777 -10.406 1.00 0.00 C ATOM 509 CD2 LEU X 34 61.866 -0.157 -8.927 1.00 0.00 C ATOM 0 H LEU X 34 58.571 2.724 -7.556 1.00 0.00 H new ATOM 0 HA LEU X 34 61.138 1.672 -7.001 1.00 0.00 H new ATOM 0 HB2 LEU X 34 59.379 1.121 -8.770 1.00 0.00 H new ATOM 0 HB3 LEU X 34 59.892 2.567 -9.616 1.00 0.00 H new ATOM 0 HG LEU X 34 60.696 0.464 -10.581 1.00 0.00 H new ATOM 0 HD11 LEU X 34 63.006 1.140 -10.961 1.00 0.00 H new ATOM 0 HD12 LEU X 34 61.856 2.492 -11.087 1.00 0.00 H new ATOM 0 HD13 LEU X 34 62.865 2.315 -9.632 1.00 0.00 H new ATOM 0 HD21 LEU X 34 62.578 -0.725 -9.526 1.00 0.00 H new ATOM 0 HD22 LEU X 34 62.381 0.288 -8.076 1.00 0.00 H new ATOM 0 HD23 LEU X 34 61.081 -0.823 -8.568 1.00 0.00 H new ATOM 521 N ASP X 35 61.054 4.681 -8.289 1.00 0.00 N ATOM 522 CA ASP X 35 61.918 5.820 -8.527 1.00 0.00 C ATOM 523 C ASP X 35 62.329 6.435 -7.239 1.00 0.00 C ATOM 524 O ASP X 35 63.489 6.812 -7.087 1.00 0.00 O ATOM 525 CB ASP X 35 61.284 6.842 -9.442 1.00 0.00 C ATOM 526 CG ASP X 35 62.259 7.898 -9.918 1.00 0.00 C ATOM 527 OD1 ASP X 35 63.271 7.558 -10.564 1.00 0.00 O ATOM 528 OD2 ASP X 35 62.021 9.091 -9.683 1.00 0.00 O ATOM 0 H ASP X 35 60.070 4.820 -8.518 1.00 0.00 H new ATOM 0 HA ASP X 35 62.807 5.454 -9.040 1.00 0.00 H new ATOM 0 HB2 ASP X 35 60.859 6.333 -10.307 1.00 0.00 H new ATOM 0 HB3 ASP X 35 60.459 7.327 -8.920 1.00 0.00 H new ATOM 533 N VAL X 36 61.408 6.448 -6.286 1.00 0.00 N ATOM 534 CA VAL X 36 61.662 7.049 -4.991 1.00 0.00 C ATOM 535 C VAL X 36 62.742 6.327 -4.285 1.00 0.00 C ATOM 536 O VAL X 36 63.698 6.924 -3.842 1.00 0.00 O ATOM 537 CB VAL X 36 60.471 6.889 -4.045 1.00 0.00 C ATOM 538 CG1 VAL X 36 60.735 7.581 -2.755 1.00 0.00 C ATOM 539 CG2 VAL X 36 59.232 7.367 -4.627 1.00 0.00 C ATOM 0 H VAL X 36 60.476 6.047 -6.389 1.00 0.00 H new ATOM 0 HA VAL X 36 61.894 8.093 -5.201 1.00 0.00 H new ATOM 0 HB VAL X 36 60.350 5.821 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL X 36 59.878 7.457 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL X 36 61.620 7.151 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL X 36 60.901 8.642 -2.939 1.00 0.00 H new ATOM 0 HG21 VAL X 36 58.419 7.230 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL X 36 59.328 8.425 -4.869 1.00 0.00 H new ATOM 0 HG23 VAL X 36 59.016 6.805 -5.536 1.00 0.00 H new ATOM 549 N LEU X 37 62.608 5.035 -4.234 1.00 0.00 N ATOM 550 CA LEU X 37 63.478 4.246 -3.450 1.00 0.00 C ATOM 551 C LEU X 37 64.830 4.252 -4.002 1.00 0.00 C ATOM 552 O LEU X 37 65.789 4.383 -3.271 1.00 0.00 O ATOM 553 CB LEU X 37 62.976 2.851 -3.291 1.00 0.00 C ATOM 554 CG LEU X 37 61.566 2.713 -2.690 1.00 0.00 C ATOM 555 CD1 LEU X 37 61.226 1.264 -2.397 1.00 0.00 C ATOM 556 CD2 LEU X 37 61.416 3.557 -1.429 1.00 0.00 C ATOM 0 H LEU X 37 61.892 4.511 -4.737 1.00 0.00 H new ATOM 0 HA LEU X 37 63.510 4.694 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU X 37 62.983 2.368 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU X 37 63.675 2.303 -2.660 1.00 0.00 H new ATOM 0 HG LEU X 37 60.863 3.083 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU X 37 60.223 1.204 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU X 37 61.265 0.687 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU X 37 61.945 0.858 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU X 37 60.409 3.438 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU X 37 62.143 3.232 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU X 37 61.588 4.606 -1.671 1.00 0.00 H new ATOM 568 N LEU X 38 64.899 4.167 -5.293 1.00 0.00 N ATOM 569 CA LEU X 38 66.142 4.177 -5.975 1.00 0.00 C ATOM 570 C LEU X 38 66.927 5.453 -5.702 1.00 0.00 C ATOM 571 O LEU X 38 68.097 5.393 -5.310 1.00 0.00 O ATOM 572 CB LEU X 38 65.921 3.972 -7.462 1.00 0.00 C ATOM 573 CG LEU X 38 65.444 2.580 -7.916 1.00 0.00 C ATOM 574 CD1 LEU X 38 65.641 2.405 -9.387 1.00 0.00 C ATOM 575 CD2 LEU X 38 66.089 1.446 -7.139 1.00 0.00 C ATOM 0 H LEU X 38 64.085 4.088 -5.903 1.00 0.00 H new ATOM 0 HA LEU X 38 66.744 3.351 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU X 38 65.190 4.707 -7.800 1.00 0.00 H new ATOM 0 HB3 LEU X 38 66.856 4.193 -7.976 1.00 0.00 H new ATOM 0 HG LEU X 38 64.377 2.531 -7.697 1.00 0.00 H new ATOM 0 HD11 LEU X 38 65.297 1.415 -9.685 1.00 0.00 H new ATOM 0 HD12 LEU X 38 65.071 3.164 -9.923 1.00 0.00 H new ATOM 0 HD13 LEU X 38 66.699 2.509 -9.627 1.00 0.00 H new ATOM 0 HD21 LEU X 38 65.711 0.492 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU X 38 67.170 1.483 -7.271 1.00 0.00 H new ATOM 0 HD23 LEU X 38 65.849 1.548 -6.081 1.00 0.00 H new ATOM 587 N GLU X 39 66.281 6.597 -5.852 1.00 0.00 N ATOM 588 CA GLU X 39 66.950 7.860 -5.597 1.00 0.00 C ATOM 589 C GLU X 39 67.212 8.081 -4.110 1.00 0.00 C ATOM 590 O GLU X 39 68.287 8.514 -3.726 1.00 0.00 O ATOM 591 CB GLU X 39 66.223 9.063 -6.207 1.00 0.00 C ATOM 592 CG GLU X 39 64.735 9.167 -5.859 1.00 0.00 C ATOM 593 CD GLU X 39 64.167 10.550 -5.988 1.00 0.00 C ATOM 594 OE1 GLU X 39 64.177 11.115 -7.083 1.00 0.00 O ATOM 595 OE2 GLU X 39 63.697 11.109 -4.969 1.00 0.00 O ATOM 0 H GLU X 39 65.307 6.677 -6.145 1.00 0.00 H new ATOM 0 HA GLU X 39 67.913 7.784 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU X 39 66.722 9.975 -5.878 1.00 0.00 H new ATOM 0 HB3 GLU X 39 66.324 9.018 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU X 39 64.174 8.494 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU X 39 64.588 8.820 -4.836 1.00 0.00 H new ATOM 602 N HIS X 40 66.231 7.755 -3.289 1.00 0.00 N ATOM 603 CA HIS X 40 66.306 7.947 -1.847 1.00 0.00 C ATOM 604 C HIS X 40 67.453 7.161 -1.273 1.00 0.00 C ATOM 605 O HIS X 40 68.256 7.695 -0.506 1.00 0.00 O ATOM 606 CB HIS X 40 64.988 7.506 -1.206 1.00 0.00 C ATOM 607 CG HIS X 40 64.898 7.737 0.265 1.00 0.00 C ATOM 608 ND1 HIS X 40 64.534 8.932 0.837 1.00 0.00 N ATOM 609 CD2 HIS X 40 65.141 6.893 1.288 1.00 0.00 C ATOM 610 CE1 HIS X 40 64.569 8.782 2.154 1.00 0.00 C ATOM 611 NE2 HIS X 40 64.933 7.556 2.481 1.00 0.00 N ATOM 0 H HIS X 40 65.351 7.346 -3.604 1.00 0.00 H new ATOM 0 HA HIS X 40 66.474 9.003 -1.635 1.00 0.00 H new ATOM 0 HB2 HIS X 40 64.169 8.035 -1.693 1.00 0.00 H new ATOM 0 HB3 HIS X 40 64.843 6.444 -1.402 1.00 0.00 H new ATOM 0 HD1 HIS X 40 64.281 9.784 0.337 1.00 0.00 H new ATOM 0 HD2 HIS X 40 65.449 5.863 1.190 1.00 0.00 H new ATOM 0 HE1 HIS X 40 64.331 9.560 2.865 1.00 0.00 H new ATOM 619 N PHE X 41 67.552 5.926 -1.703 1.00 0.00 N ATOM 620 CA PHE X 41 68.579 5.025 -1.280 1.00 0.00 C ATOM 621 C PHE X 41 69.957 5.594 -1.584 1.00 0.00 C ATOM 622 O PHE X 41 70.791 5.735 -0.691 1.00 0.00 O ATOM 623 CB PHE X 41 68.350 3.681 -1.963 1.00 0.00 C ATOM 624 CG PHE X 41 69.506 2.747 -1.933 1.00 0.00 C ATOM 625 CD1 PHE X 41 69.817 2.050 -0.792 1.00 0.00 C ATOM 626 CD2 PHE X 41 70.301 2.583 -3.047 1.00 0.00 C ATOM 627 CE1 PHE X 41 70.898 1.198 -0.759 1.00 0.00 C ATOM 628 CE2 PHE X 41 71.381 1.737 -3.005 1.00 0.00 C ATOM 629 CZ PHE X 41 71.679 1.046 -1.866 1.00 0.00 C ATOM 0 H PHE X 41 66.901 5.517 -2.373 1.00 0.00 H new ATOM 0 HA PHE X 41 68.536 4.885 -0.200 1.00 0.00 H new ATOM 0 HB2 PHE X 41 67.498 3.193 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE X 41 68.078 3.862 -3.003 1.00 0.00 H new ATOM 0 HD1 PHE X 41 69.206 2.171 0.090 1.00 0.00 H new ATOM 0 HD2 PHE X 41 70.074 3.121 -3.955 1.00 0.00 H new ATOM 0 HE1 PHE X 41 71.127 0.650 0.143 1.00 0.00 H new ATOM 0 HE2 PHE X 41 72.001 1.617 -3.881 1.00 0.00 H new ATOM 0 HZ PHE X 41 72.530 0.382 -1.842 1.00 0.00 H new ATOM 639 N VAL X 42 70.179 5.964 -2.823 1.00 0.00 N ATOM 640 CA VAL X 42 71.452 6.513 -3.231 1.00 0.00 C ATOM 641 C VAL X 42 71.725 7.866 -2.582 1.00 0.00 C ATOM 642 O VAL X 42 72.857 8.226 -2.354 1.00 0.00 O ATOM 643 CB VAL X 42 71.656 6.509 -4.771 1.00 0.00 C ATOM 644 CG1 VAL X 42 70.674 7.343 -5.496 1.00 0.00 C ATOM 645 CG2 VAL X 42 73.068 6.843 -5.175 1.00 0.00 C ATOM 0 H VAL X 42 69.490 5.894 -3.571 1.00 0.00 H new ATOM 0 HA VAL X 42 72.217 5.836 -2.851 1.00 0.00 H new ATOM 0 HB VAL X 42 71.471 5.479 -5.075 1.00 0.00 H new ATOM 0 HG11 VAL X 42 70.875 7.294 -6.566 1.00 0.00 H new ATOM 0 HG12 VAL X 42 69.667 6.974 -5.299 1.00 0.00 H new ATOM 0 HG13 VAL X 42 70.755 8.376 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL X 42 73.149 6.825 -6.262 1.00 0.00 H new ATOM 0 HG22 VAL X 42 73.326 7.837 -4.808 1.00 0.00 H new ATOM 0 HG23 VAL X 42 73.752 6.110 -4.748 1.00 0.00 H new ATOM 655 N LYS X 43 70.695 8.604 -2.322 1.00 0.00 N ATOM 656 CA LYS X 43 70.808 9.887 -1.631 1.00 0.00 C ATOM 657 C LYS X 43 71.340 9.755 -0.204 1.00 0.00 C ATOM 658 O LYS X 43 72.258 10.462 0.186 1.00 0.00 O ATOM 659 CB LYS X 43 69.452 10.630 -1.667 1.00 0.00 C ATOM 660 CG LYS X 43 69.166 11.562 -0.483 1.00 0.00 C ATOM 661 CD LYS X 43 67.980 12.470 -0.777 1.00 0.00 C ATOM 662 CE LYS X 43 67.870 13.641 0.201 1.00 0.00 C ATOM 663 NZ LYS X 43 67.704 13.227 1.602 1.00 0.00 N ATOM 0 H LYS X 43 69.740 8.350 -2.576 1.00 0.00 H new ATOM 0 HA LYS X 43 71.550 10.479 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS X 43 69.405 11.216 -2.585 1.00 0.00 H new ATOM 0 HB3 LYS X 43 68.655 9.888 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS X 43 68.963 10.970 0.409 1.00 0.00 H new ATOM 0 HG3 LYS X 43 70.048 12.167 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS X 43 68.069 12.858 -1.792 1.00 0.00 H new ATOM 0 HD3 LYS X 43 67.062 11.884 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS X 43 68.765 14.258 0.117 1.00 0.00 H new ATOM 0 HE3 LYS X 43 67.024 14.265 -0.087 1.00 0.00 H new ATOM 0 HZ1 LYS X 43 67.212 13.976 2.130 1.00 0.00 H new ATOM 0 HZ2 LYS X 43 67.144 12.351 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS X 43 68.638 13.060 2.028 1.00 0.00 H new ATOM 677 N ILE X 44 70.803 8.851 0.539 1.00 0.00 N ATOM 678 CA ILE X 44 71.200 8.685 1.923 1.00 0.00 C ATOM 679 C ILE X 44 72.561 8.002 2.049 1.00 0.00 C ATOM 680 O ILE X 44 73.351 8.355 2.911 1.00 0.00 O ATOM 681 CB ILE X 44 70.100 7.961 2.722 1.00 0.00 C ATOM 682 CG1 ILE X 44 69.689 6.679 1.997 1.00 0.00 C ATOM 683 CG2 ILE X 44 68.903 8.897 2.916 1.00 0.00 C ATOM 684 CD1 ILE X 44 68.470 6.021 2.536 1.00 0.00 C ATOM 0 H ILE X 44 70.081 8.203 0.223 1.00 0.00 H new ATOM 0 HA ILE X 44 71.320 9.676 2.360 1.00 0.00 H new ATOM 0 HB ILE X 44 70.481 7.686 3.705 1.00 0.00 H new ATOM 0 HG12 ILE X 44 69.525 6.910 0.945 1.00 0.00 H new ATOM 0 HG13 ILE X 44 70.517 5.971 2.042 1.00 0.00 H new ATOM 0 HG21 ILE X 44 68.126 8.382 3.482 1.00 0.00 H new ATOM 0 HG22 ILE X 44 69.221 9.786 3.462 1.00 0.00 H new ATOM 0 HG23 ILE X 44 68.509 9.190 1.943 1.00 0.00 H new ATOM 0 HD11 ILE X 44 68.257 5.121 1.959 1.00 0.00 H new ATOM 0 HD12 ILE X 44 68.633 5.753 3.580 1.00 0.00 H new ATOM 0 HD13 ILE X 44 67.625 6.706 2.465 1.00 0.00 H new ATOM 696 N THR X 45 72.857 7.054 1.173 1.00 0.00 N ATOM 697 CA THR X 45 74.157 6.429 1.229 1.00 0.00 C ATOM 698 C THR X 45 75.222 7.224 0.472 1.00 0.00 C ATOM 699 O THR X 45 76.399 7.196 0.862 1.00 0.00 O ATOM 700 CB THR X 45 74.173 4.945 0.773 1.00 0.00 C ATOM 701 OG1 THR X 45 75.517 4.452 0.819 1.00 0.00 O ATOM 702 CG2 THR X 45 73.638 4.771 -0.639 1.00 0.00 C ATOM 0 H THR X 45 72.234 6.713 0.440 1.00 0.00 H new ATOM 0 HA THR X 45 74.406 6.433 2.290 1.00 0.00 H new ATOM 0 HB THR X 45 73.526 4.387 1.450 1.00 0.00 H new ATOM 0 HG1 THR X 45 75.965 4.799 1.619 1.00 0.00 H new ATOM 0 HG21 THR X 45 73.669 3.716 -0.913 1.00 0.00 H new ATOM 0 HG22 THR X 45 72.609 5.127 -0.685 1.00 0.00 H new ATOM 0 HG23 THR X 45 74.252 5.344 -1.334 1.00 0.00 H new ATOM 710 N GLU X 46 74.814 7.914 -0.599 1.00 0.00 N ATOM 711 CA GLU X 46 75.721 8.673 -1.480 1.00 0.00 C ATOM 712 C GLU X 46 76.742 7.754 -2.151 1.00 0.00 C ATOM 713 O GLU X 46 77.846 8.159 -2.505 1.00 0.00 O ATOM 714 CB GLU X 46 76.378 9.805 -0.714 1.00 0.00 C ATOM 715 CG GLU X 46 75.448 10.947 -0.370 1.00 0.00 C ATOM 716 CD GLU X 46 75.052 11.808 -1.555 1.00 0.00 C ATOM 717 OE1 GLU X 46 75.444 11.506 -2.713 1.00 0.00 O ATOM 718 OE2 GLU X 46 74.357 12.828 -1.344 1.00 0.00 O ATOM 0 H GLU X 46 73.836 7.964 -0.885 1.00 0.00 H new ATOM 0 HA GLU X 46 75.133 9.119 -2.282 1.00 0.00 H new ATOM 0 HB2 GLU X 46 76.801 9.406 0.208 1.00 0.00 H new ATOM 0 HB3 GLU X 46 77.208 10.193 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU X 46 74.546 10.540 0.087 1.00 0.00 H new ATOM 0 HG3 GLU X 46 75.927 11.578 0.379 1.00 0.00 H new ATOM 725 N HIS X 47 76.332 6.521 -2.360 1.00 0.00 N ATOM 726 CA HIS X 47 77.158 5.544 -3.024 1.00 0.00 C ATOM 727 C HIS X 47 77.088 5.847 -4.526 1.00 0.00 C ATOM 728 O HIS X 47 76.005 6.058 -5.040 1.00 0.00 O ATOM 729 CB HIS X 47 76.640 4.110 -2.727 1.00 0.00 C ATOM 730 CG HIS X 47 77.568 3.013 -3.180 1.00 0.00 C ATOM 731 ND1 HIS X 47 77.455 2.327 -4.370 1.00 0.00 N ATOM 732 CD2 HIS X 47 78.671 2.521 -2.585 1.00 0.00 C ATOM 733 CE1 HIS X 47 78.487 1.478 -4.452 1.00 0.00 C ATOM 734 NE2 HIS X 47 79.248 1.555 -3.397 1.00 0.00 N ATOM 0 H HIS X 47 75.418 6.171 -2.074 1.00 0.00 H new ATOM 0 HA HIS X 47 78.188 5.596 -2.670 1.00 0.00 H new ATOM 0 HB2 HIS X 47 76.474 4.010 -1.654 1.00 0.00 H new ATOM 0 HB3 HIS X 47 75.673 3.977 -3.213 1.00 0.00 H new ATOM 0 HD2 HIS X 47 79.049 2.831 -1.622 1.00 0.00 H new ATOM 0 HE1 HIS X 47 78.666 0.815 -5.285 1.00 0.00 H new ATOM 0 HE2 HIS X 47 80.093 1.016 -3.207 1.00 0.00 H new ATOM 742 N PRO X 48 78.213 5.828 -5.256 1.00 0.00 N ATOM 743 CA PRO X 48 78.260 6.226 -6.687 1.00 0.00 C ATOM 744 C PRO X 48 77.484 5.287 -7.566 1.00 0.00 C ATOM 745 O PRO X 48 77.051 5.629 -8.658 1.00 0.00 O ATOM 746 CB PRO X 48 79.721 6.051 -7.045 1.00 0.00 C ATOM 747 CG PRO X 48 80.451 6.028 -5.778 1.00 0.00 C ATOM 748 CD PRO X 48 79.533 5.394 -4.797 1.00 0.00 C ATOM 0 HA PRO X 48 77.847 7.225 -6.827 1.00 0.00 H new ATOM 0 HB2 PRO X 48 79.878 5.127 -7.601 1.00 0.00 H new ATOM 0 HB3 PRO X 48 80.067 6.867 -7.679 1.00 0.00 H new ATOM 0 HG2 PRO X 48 81.378 5.461 -5.870 1.00 0.00 H new ATOM 0 HG3 PRO X 48 80.724 7.036 -5.465 1.00 0.00 H new ATOM 0 HD2 PRO X 48 79.625 4.308 -4.801 1.00 0.00 H new ATOM 0 HD3 PRO X 48 79.737 5.727 -3.779 1.00 0.00 H new ATOM 756 N ASP X 49 77.254 4.141 -7.044 1.00 0.00 N ATOM 757 CA ASP X 49 76.712 3.076 -7.760 1.00 0.00 C ATOM 758 C ASP X 49 75.545 2.595 -6.964 1.00 0.00 C ATOM 759 O ASP X 49 75.309 1.404 -6.842 1.00 0.00 O ATOM 760 CB ASP X 49 77.749 1.950 -7.921 1.00 0.00 C ATOM 761 CG ASP X 49 78.933 2.306 -8.797 1.00 0.00 C ATOM 762 OD1 ASP X 49 79.880 2.967 -8.323 1.00 0.00 O ATOM 763 OD2 ASP X 49 78.968 1.894 -9.969 1.00 0.00 O ATOM 0 H ASP X 49 77.450 3.922 -6.067 1.00 0.00 H new ATOM 0 HA ASP X 49 76.414 3.384 -8.762 1.00 0.00 H new ATOM 0 HB2 ASP X 49 78.115 1.667 -6.934 1.00 0.00 H new ATOM 0 HB3 ASP X 49 77.253 1.074 -8.340 1.00 0.00 H new ATOM 768 N GLY X 50 74.863 3.563 -6.349 1.00 0.00 N ATOM 769 CA GLY X 50 73.703 3.316 -5.507 1.00 0.00 C ATOM 770 C GLY X 50 72.740 2.396 -6.111 1.00 0.00 C ATOM 771 O GLY X 50 72.484 1.315 -5.593 1.00 0.00 O ATOM 0 H GLY X 50 75.108 4.550 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY X 50 74.035 2.909 -4.552 1.00 0.00 H new ATOM 0 HA3 GLY X 50 73.207 4.263 -5.295 1.00 0.00 H new ATOM 775 N THR X 51 72.312 2.727 -7.245 1.00 0.00 N ATOM 776 CA THR X 51 71.243 1.984 -7.819 1.00 0.00 C ATOM 777 C THR X 51 71.756 0.657 -8.371 1.00 0.00 C ATOM 778 O THR X 51 71.037 -0.346 -8.374 1.00 0.00 O ATOM 779 CB THR X 51 70.515 2.794 -8.868 1.00 0.00 C ATOM 780 OG1 THR X 51 70.736 4.194 -8.589 1.00 0.00 O ATOM 781 CG2 THR X 51 69.029 2.524 -8.730 1.00 0.00 C ATOM 0 H THR X 51 72.668 3.499 -7.809 1.00 0.00 H new ATOM 0 HA THR X 51 70.517 1.758 -7.038 1.00 0.00 H new ATOM 0 HB THR X 51 70.867 2.533 -9.866 1.00 0.00 H new ATOM 0 HG1 THR X 51 71.532 4.502 -9.070 1.00 0.00 H new ATOM 0 HG21 THR X 51 68.484 3.099 -9.478 1.00 0.00 H new ATOM 0 HG22 THR X 51 68.837 1.461 -8.878 1.00 0.00 H new ATOM 0 HG23 THR X 51 68.697 2.817 -7.734 1.00 0.00 H new ATOM 789 N ALA X 52 73.035 0.640 -8.727 1.00 0.00 N ATOM 790 CA ALA X 52 73.679 -0.551 -9.214 1.00 0.00 C ATOM 791 C ALA X 52 73.743 -1.562 -8.116 1.00 0.00 C ATOM 792 O ALA X 52 73.539 -2.725 -8.365 1.00 0.00 O ATOM 793 CB ALA X 52 75.059 -0.252 -9.770 1.00 0.00 C ATOM 0 H ALA X 52 73.645 1.456 -8.682 1.00 0.00 H new ATOM 0 HA ALA X 52 73.091 -0.956 -10.038 1.00 0.00 H new ATOM 0 HB1 ALA X 52 75.515 -1.175 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA X 52 74.973 0.455 -10.595 1.00 0.00 H new ATOM 0 HB3 ALA X 52 75.681 0.179 -8.986 1.00 0.00 H new ATOM 799 N LEU X 53 73.963 -1.098 -6.878 1.00 0.00 N ATOM 800 CA LEU X 53 73.974 -1.995 -5.725 1.00 0.00 C ATOM 801 C LEU X 53 72.659 -2.699 -5.556 1.00 0.00 C ATOM 802 O LEU X 53 72.632 -3.873 -5.240 1.00 0.00 O ATOM 803 CB LEU X 53 74.341 -1.313 -4.412 1.00 0.00 C ATOM 804 CG LEU X 53 75.756 -0.786 -4.267 1.00 0.00 C ATOM 805 CD1 LEU X 53 76.004 -0.399 -2.832 1.00 0.00 C ATOM 806 CD2 LEU X 53 76.788 -1.796 -4.747 1.00 0.00 C ATOM 0 H LEU X 53 74.133 -0.117 -6.655 1.00 0.00 H new ATOM 0 HA LEU X 53 74.758 -2.718 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU X 53 73.655 -0.479 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU X 53 74.162 -2.022 -3.603 1.00 0.00 H new ATOM 0 HG LEU X 53 75.861 0.095 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU X 53 77.021 -0.020 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU X 53 75.296 0.376 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU X 53 75.875 -1.272 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU X 53 77.788 -1.380 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU X 53 76.702 -2.711 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU X 53 76.614 -2.022 -5.799 1.00 0.00 H new ATOM 818 N ILE X 54 71.575 -1.992 -5.795 1.00 0.00 N ATOM 819 CA ILE X 54 70.245 -2.584 -5.662 1.00 0.00 C ATOM 820 C ILE X 54 70.058 -3.649 -6.727 1.00 0.00 C ATOM 821 O ILE X 54 69.646 -4.787 -6.447 1.00 0.00 O ATOM 822 CB ILE X 54 69.129 -1.496 -5.749 1.00 0.00 C ATOM 823 CG1 ILE X 54 68.932 -0.806 -4.390 1.00 0.00 C ATOM 824 CG2 ILE X 54 67.799 -2.069 -6.257 1.00 0.00 C ATOM 825 CD1 ILE X 54 68.144 0.474 -4.480 1.00 0.00 C ATOM 0 H ILE X 54 71.579 -1.013 -6.081 1.00 0.00 H new ATOM 0 HA ILE X 54 70.162 -3.048 -4.679 1.00 0.00 H new ATOM 0 HB ILE X 54 69.463 -0.755 -6.475 1.00 0.00 H new ATOM 0 HG12 ILE X 54 68.422 -1.491 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE X 54 69.908 -0.594 -3.953 1.00 0.00 H new ATOM 0 HG21 ILE X 54 67.054 -1.275 -6.300 1.00 0.00 H new ATOM 0 HG22 ILE X 54 67.940 -2.489 -7.253 1.00 0.00 H new ATOM 0 HG23 ILE X 54 67.457 -2.851 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE X 54 68.042 0.909 -3.486 1.00 0.00 H new ATOM 0 HD12 ILE X 54 68.664 1.176 -5.132 1.00 0.00 H new ATOM 0 HD13 ILE X 54 67.155 0.265 -4.888 1.00 0.00 H new ATOM 837 N TYR X 55 70.411 -3.280 -7.921 1.00 0.00 N ATOM 838 CA TYR X 55 70.309 -4.140 -9.046 1.00 0.00 C ATOM 839 C TYR X 55 71.206 -5.371 -8.935 1.00 0.00 C ATOM 840 O TYR X 55 70.740 -6.500 -9.149 1.00 0.00 O ATOM 841 CB TYR X 55 70.511 -3.356 -10.327 1.00 0.00 C ATOM 842 CG TYR X 55 69.284 -2.552 -10.731 1.00 0.00 C ATOM 843 CD1 TYR X 55 68.162 -3.188 -11.248 1.00 0.00 C ATOM 844 CD2 TYR X 55 69.238 -1.174 -10.582 1.00 0.00 C ATOM 845 CE1 TYR X 55 67.031 -2.473 -11.597 1.00 0.00 C ATOM 846 CE2 TYR X 55 68.116 -0.449 -10.932 1.00 0.00 C ATOM 847 CZ TYR X 55 67.012 -1.106 -11.438 1.00 0.00 C ATOM 848 OH TYR X 55 65.872 -0.394 -11.770 1.00 0.00 O ATOM 0 H TYR X 55 70.784 -2.356 -8.138 1.00 0.00 H new ATOM 0 HA TYR X 55 69.297 -4.545 -9.071 1.00 0.00 H new ATOM 0 HB2 TYR X 55 71.357 -2.680 -10.203 1.00 0.00 H new ATOM 0 HB3 TYR X 55 70.768 -4.045 -11.132 1.00 0.00 H new ATOM 0 HD1 TYR X 55 68.173 -4.260 -11.380 1.00 0.00 H new ATOM 0 HD2 TYR X 55 70.098 -0.657 -10.184 1.00 0.00 H new ATOM 0 HE1 TYR X 55 66.166 -2.985 -11.993 1.00 0.00 H new ATOM 0 HE2 TYR X 55 68.102 0.624 -10.811 1.00 0.00 H new ATOM 0 HH TYR X 55 66.020 0.559 -11.599 1.00 0.00 H new ATOM 858 N GLU X 56 72.459 -5.180 -8.561 1.00 0.00 N ATOM 859 CA GLU X 56 73.355 -6.299 -8.395 1.00 0.00 C ATOM 860 C GLU X 56 72.967 -7.159 -7.210 1.00 0.00 C ATOM 861 O GLU X 56 73.085 -8.346 -7.291 1.00 0.00 O ATOM 862 CB GLU X 56 74.845 -5.927 -8.345 1.00 0.00 C ATOM 863 CG GLU X 56 75.239 -4.944 -7.265 1.00 0.00 C ATOM 864 CD GLU X 56 76.724 -4.859 -7.084 1.00 0.00 C ATOM 865 OE1 GLU X 56 77.389 -4.200 -7.899 1.00 0.00 O ATOM 866 OE2 GLU X 56 77.267 -5.463 -6.126 1.00 0.00 O ATOM 0 H GLU X 56 72.872 -4.267 -8.369 1.00 0.00 H new ATOM 0 HA GLU X 56 73.234 -6.885 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU X 56 75.424 -6.840 -8.209 1.00 0.00 H new ATOM 0 HB3 GLU X 56 75.129 -5.510 -9.311 1.00 0.00 H new ATOM 0 HG2 GLU X 56 74.849 -3.957 -7.516 1.00 0.00 H new ATOM 0 HG3 GLU X 56 74.777 -5.239 -6.323 1.00 0.00 H new ATOM 873 N ALA X 57 72.482 -6.555 -6.123 1.00 0.00 N ATOM 874 CA ALA X 57 72.089 -7.311 -4.919 1.00 0.00 C ATOM 875 C ALA X 57 71.030 -8.356 -5.236 1.00 0.00 C ATOM 876 O ALA X 57 71.075 -9.472 -4.714 1.00 0.00 O ATOM 877 CB ALA X 57 71.596 -6.386 -3.821 1.00 0.00 C ATOM 0 H ALA X 57 72.350 -5.547 -6.046 1.00 0.00 H new ATOM 0 HA ALA X 57 72.981 -7.825 -4.563 1.00 0.00 H new ATOM 0 HB1 ALA X 57 71.314 -6.975 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA X 57 72.389 -5.690 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA X 57 70.730 -5.828 -4.177 1.00 0.00 H new ATOM 1025 N GLY X 71 70.920 -10.384 -1.277 1.00 0.00 N ATOM 1026 CA GLY X 71 69.774 -9.669 -1.581 1.00 0.00 C ATOM 1027 C GLY X 71 69.702 -8.362 -0.850 1.00 0.00 C ATOM 1028 O GLY X 71 70.691 -7.617 -0.806 1.00 0.00 O ATOM 0 HA2 GLY X 71 69.739 -9.484 -2.655 1.00 0.00 H new ATOM 0 HA3 GLY X 71 68.899 -10.269 -1.333 1.00 0.00 H new ATOM 1032 N PRO X 72 68.574 -8.102 -0.184 1.00 0.00 N ATOM 1033 CA PRO X 72 68.349 -6.859 0.526 1.00 0.00 C ATOM 1034 C PRO X 72 69.309 -6.706 1.664 1.00 0.00 C ATOM 1035 O PRO X 72 69.749 -5.613 1.990 1.00 0.00 O ATOM 1036 CB PRO X 72 66.935 -6.961 1.086 1.00 0.00 C ATOM 1037 CG PRO X 72 66.385 -8.288 0.673 1.00 0.00 C ATOM 1038 CD PRO X 72 67.449 -9.038 -0.071 1.00 0.00 C ATOM 0 HA PRO X 72 68.485 -6.004 -0.137 1.00 0.00 H new ATOM 0 HB2 PRO X 72 66.945 -6.871 2.172 1.00 0.00 H new ATOM 0 HB3 PRO X 72 66.312 -6.152 0.705 1.00 0.00 H new ATOM 0 HG2 PRO X 72 66.066 -8.854 1.548 1.00 0.00 H new ATOM 0 HG3 PRO X 72 65.506 -8.153 0.042 1.00 0.00 H new ATOM 0 HD2 PRO X 72 67.741 -9.941 0.464 1.00 0.00 H new ATOM 0 HD3 PRO X 72 67.096 -9.350 -1.054 1.00 0.00 H new ATOM 1046 N GLU X 73 69.689 -7.814 2.215 1.00 0.00 N ATOM 1047 CA GLU X 73 70.524 -7.833 3.374 1.00 0.00 C ATOM 1048 C GLU X 73 71.986 -7.661 2.992 1.00 0.00 C ATOM 1049 O GLU X 73 72.852 -7.550 3.858 1.00 0.00 O ATOM 1050 CB GLU X 73 70.294 -9.118 4.160 1.00 0.00 C ATOM 1051 CG GLU X 73 68.818 -9.425 4.406 1.00 0.00 C ATOM 1052 CD GLU X 73 68.602 -10.731 5.124 1.00 0.00 C ATOM 1053 OE1 GLU X 73 68.634 -11.790 4.474 1.00 0.00 O ATOM 1054 OE2 GLU X 73 68.387 -10.724 6.361 1.00 0.00 O ATOM 0 H GLU X 73 69.427 -8.738 1.871 1.00 0.00 H new ATOM 0 HA GLU X 73 70.259 -6.992 4.015 1.00 0.00 H new ATOM 0 HB2 GLU X 73 70.745 -9.951 3.620 1.00 0.00 H new ATOM 0 HB3 GLU X 73 70.807 -9.045 5.119 1.00 0.00 H new ATOM 0 HG2 GLU X 73 68.377 -8.618 4.991 1.00 0.00 H new ATOM 0 HG3 GLU X 73 68.293 -9.450 3.451 1.00 0.00 H new ATOM 1061 N GLY X 74 72.267 -7.611 1.712 1.00 0.00 N ATOM 1062 CA GLY X 74 73.619 -7.402 1.327 1.00 0.00 C ATOM 1063 C GLY X 74 73.863 -6.039 0.771 1.00 0.00 C ATOM 1064 O GLY X 74 75.011 -5.604 0.682 1.00 0.00 O ATOM 0 H GLY X 74 71.595 -7.710 0.951 1.00 0.00 H new ATOM 0 HA2 GLY X 74 74.265 -7.557 2.191 1.00 0.00 H new ATOM 0 HA3 GLY X 74 73.898 -8.147 0.582 1.00 0.00 H new ATOM 1068 N ILE X 75 72.799 -5.343 0.417 1.00 0.00 N ATOM 1069 CA ILE X 75 72.938 -3.970 -0.055 1.00 0.00 C ATOM 1070 C ILE X 75 73.390 -3.143 1.133 1.00 0.00 C ATOM 1071 O ILE X 75 74.369 -2.433 1.072 1.00 0.00 O ATOM 1072 CB ILE X 75 71.608 -3.359 -0.563 1.00 0.00 C ATOM 1073 CG1 ILE X 75 70.545 -4.435 -0.801 1.00 0.00 C ATOM 1074 CG2 ILE X 75 71.866 -2.572 -1.840 1.00 0.00 C ATOM 1075 CD1 ILE X 75 69.196 -3.894 -1.204 1.00 0.00 C ATOM 0 H ILE X 75 71.842 -5.694 0.445 1.00 0.00 H new ATOM 0 HA ILE X 75 73.640 -3.968 -0.889 1.00 0.00 H new ATOM 0 HB ILE X 75 71.223 -2.690 0.206 1.00 0.00 H new ATOM 0 HG12 ILE X 75 70.898 -5.113 -1.578 1.00 0.00 H new ATOM 0 HG13 ILE X 75 70.431 -5.024 0.109 1.00 0.00 H new ATOM 0 HG21 ILE X 75 70.930 -2.142 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE X 75 72.579 -1.773 -1.637 1.00 0.00 H new ATOM 0 HG23 ILE X 75 72.274 -3.237 -2.601 1.00 0.00 H new ATOM 0 HD11 ILE X 75 68.502 -4.721 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE X 75 68.817 -3.239 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE X 75 69.293 -3.330 -2.132 1.00 0.00 H new ATOM 1087 N VAL X 76 72.672 -3.328 2.233 1.00 0.00 N ATOM 1088 CA VAL X 76 72.943 -2.687 3.515 1.00 0.00 C ATOM 1089 C VAL X 76 74.351 -2.948 3.986 1.00 0.00 C ATOM 1090 O VAL X 76 75.063 -2.049 4.422 1.00 0.00 O ATOM 1091 CB VAL X 76 71.913 -3.171 4.564 1.00 0.00 C ATOM 1092 CG1 VAL X 76 71.588 -4.625 4.494 1.00 0.00 C ATOM 1093 CG2 VAL X 76 72.140 -2.652 5.975 1.00 0.00 C ATOM 0 H VAL X 76 71.861 -3.946 2.260 1.00 0.00 H new ATOM 0 HA VAL X 76 72.847 -1.609 3.385 1.00 0.00 H new ATOM 0 HB VAL X 76 70.993 -2.677 4.251 1.00 0.00 H new ATOM 0 HG11 VAL X 76 70.859 -4.872 5.266 1.00 0.00 H new ATOM 0 HG12 VAL X 76 71.172 -4.858 3.514 1.00 0.00 H new ATOM 0 HG13 VAL X 76 72.495 -5.209 4.651 1.00 0.00 H new ATOM 0 HG21 VAL X 76 71.368 -3.046 6.636 1.00 0.00 H new ATOM 0 HG22 VAL X 76 73.120 -2.974 6.328 1.00 0.00 H new ATOM 0 HG23 VAL X 76 72.095 -1.563 5.974 1.00 0.00 H new ATOM 1103 N LYS X 77 74.726 -4.172 3.876 1.00 0.00 N ATOM 1104 CA LYS X 77 76.078 -4.616 4.206 1.00 0.00 C ATOM 1105 C LYS X 77 77.132 -3.897 3.343 1.00 0.00 C ATOM 1106 O LYS X 77 78.112 -3.376 3.860 1.00 0.00 O ATOM 1107 CB LYS X 77 76.205 -6.137 4.057 1.00 0.00 C ATOM 1108 CG LYS X 77 77.635 -6.666 4.141 1.00 0.00 C ATOM 1109 CD LYS X 77 77.673 -8.182 4.052 1.00 0.00 C ATOM 1110 CE LYS X 77 79.092 -8.708 3.854 1.00 0.00 C ATOM 1111 NZ LYS X 77 80.036 -8.214 4.873 1.00 0.00 N ATOM 0 H LYS X 77 74.113 -4.920 3.552 1.00 0.00 H new ATOM 0 HA LYS X 77 76.265 -4.355 5.248 1.00 0.00 H new ATOM 0 HB2 LYS X 77 75.608 -6.616 4.833 1.00 0.00 H new ATOM 0 HB3 LYS X 77 75.778 -6.432 3.099 1.00 0.00 H new ATOM 0 HG2 LYS X 77 78.231 -6.238 3.335 1.00 0.00 H new ATOM 0 HG3 LYS X 77 78.089 -6.344 5.078 1.00 0.00 H new ATOM 0 HD2 LYS X 77 77.252 -8.609 4.962 1.00 0.00 H new ATOM 0 HD3 LYS X 77 77.045 -8.512 3.224 1.00 0.00 H new ATOM 0 HE2 LYS X 77 79.077 -9.798 3.879 1.00 0.00 H new ATOM 0 HE3 LYS X 77 79.447 -8.416 2.866 1.00 0.00 H new ATOM 0 HZ1 LYS X 77 80.929 -8.742 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS X 77 80.219 -7.202 4.716 1.00 0.00 H new ATOM 0 HZ3 LYS X 77 79.627 -8.349 5.820 1.00 0.00 H new ATOM 1125 N GLU X 78 76.892 -3.842 2.045 1.00 0.00 N ATOM 1126 CA GLU X 78 77.820 -3.209 1.117 1.00 0.00 C ATOM 1127 C GLU X 78 77.950 -1.712 1.478 1.00 0.00 C ATOM 1128 O GLU X 78 79.052 -1.137 1.465 1.00 0.00 O ATOM 1129 CB GLU X 78 77.301 -3.365 -0.322 1.00 0.00 C ATOM 1130 CG GLU X 78 78.332 -3.084 -1.396 1.00 0.00 C ATOM 1131 CD GLU X 78 79.371 -4.175 -1.507 1.00 0.00 C ATOM 1132 OE1 GLU X 78 80.310 -4.219 -0.696 1.00 0.00 O ATOM 1133 OE2 GLU X 78 79.273 -5.011 -2.438 1.00 0.00 O ATOM 0 H GLU X 78 76.058 -4.230 1.605 1.00 0.00 H new ATOM 0 HA GLU X 78 78.798 -3.685 1.189 1.00 0.00 H new ATOM 0 HB2 GLU X 78 76.927 -4.381 -0.452 1.00 0.00 H new ATOM 0 HB3 GLU X 78 76.454 -2.693 -0.464 1.00 0.00 H new ATOM 0 HG2 GLU X 78 77.828 -2.969 -2.356 1.00 0.00 H new ATOM 0 HG3 GLU X 78 78.827 -2.137 -1.180 1.00 0.00 H new ATOM 1140 N ILE X 79 76.816 -1.121 1.847 1.00 0.00 N ATOM 1141 CA ILE X 79 76.728 0.282 2.236 1.00 0.00 C ATOM 1142 C ILE X 79 77.488 0.562 3.527 1.00 0.00 C ATOM 1143 O ILE X 79 78.256 1.543 3.597 1.00 0.00 O ATOM 1144 CB ILE X 79 75.243 0.732 2.399 1.00 0.00 C ATOM 1145 CG1 ILE X 79 74.471 0.603 1.076 1.00 0.00 C ATOM 1146 CG2 ILE X 79 75.134 2.151 2.957 1.00 0.00 C ATOM 1147 CD1 ILE X 79 75.014 1.428 -0.045 1.00 0.00 C ATOM 0 H ILE X 79 75.922 -1.610 1.884 1.00 0.00 H new ATOM 0 HA ILE X 79 77.189 0.857 1.433 1.00 0.00 H new ATOM 0 HB ILE X 79 74.786 0.060 3.125 1.00 0.00 H new ATOM 0 HG12 ILE X 79 74.470 -0.444 0.772 1.00 0.00 H new ATOM 0 HG13 ILE X 79 73.432 0.886 1.248 1.00 0.00 H new ATOM 0 HG21 ILE X 79 74.083 2.424 3.054 1.00 0.00 H new ATOM 0 HG22 ILE X 79 75.613 2.195 3.935 1.00 0.00 H new ATOM 0 HG23 ILE X 79 75.628 2.847 2.280 1.00 0.00 H new ATOM 0 HD11 ILE X 79 74.407 1.274 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE X 79 74.989 2.482 0.233 1.00 0.00 H new ATOM 0 HD13 ILE X 79 76.043 1.131 -0.250 1.00 0.00 H new ATOM 1159 N LYS X 80 77.312 -0.302 4.537 1.00 0.00 N ATOM 1160 CA LYS X 80 77.945 -0.066 5.831 1.00 0.00 C ATOM 1161 C LYS X 80 79.447 -0.065 5.676 1.00 0.00 C ATOM 1162 O LYS X 80 80.128 0.812 6.194 1.00 0.00 O ATOM 1163 CB LYS X 80 77.513 -1.088 6.937 1.00 0.00 C ATOM 1164 CG LYS X 80 78.007 -2.512 6.757 1.00 0.00 C ATOM 1165 CD LYS X 80 77.700 -3.392 7.962 1.00 0.00 C ATOM 1166 CE LYS X 80 76.213 -3.473 8.290 1.00 0.00 C ATOM 1167 NZ LYS X 80 75.970 -4.334 9.466 1.00 0.00 N ATOM 0 H LYS X 80 76.749 -1.151 4.481 1.00 0.00 H new ATOM 0 HA LYS X 80 77.602 0.911 6.171 1.00 0.00 H new ATOM 0 HB2 LYS X 80 77.866 -0.721 7.901 1.00 0.00 H new ATOM 0 HB3 LYS X 80 76.424 -1.105 6.982 1.00 0.00 H new ATOM 0 HG2 LYS X 80 77.546 -2.944 5.869 1.00 0.00 H new ATOM 0 HG3 LYS X 80 79.083 -2.501 6.584 1.00 0.00 H new ATOM 0 HD2 LYS X 80 78.078 -4.397 7.774 1.00 0.00 H new ATOM 0 HD3 LYS X 80 78.235 -3.007 8.830 1.00 0.00 H new ATOM 0 HE2 LYS X 80 75.826 -2.473 8.483 1.00 0.00 H new ATOM 0 HE3 LYS X 80 75.669 -3.865 7.431 1.00 0.00 H new ATOM 0 HZ1 LYS X 80 74.948 -4.384 9.655 1.00 0.00 H new ATOM 0 HZ2 LYS X 80 76.334 -5.290 9.278 1.00 0.00 H new ATOM 0 HZ3 LYS X 80 76.456 -3.935 10.294 1.00 0.00 H new ATOM 1181 N GLU X 81 79.946 -0.998 4.893 1.00 0.00 N ATOM 1182 CA GLU X 81 81.355 -1.138 4.716 1.00 0.00 C ATOM 1183 C GLU X 81 81.937 -0.005 3.884 1.00 0.00 C ATOM 1184 O GLU X 81 82.994 0.518 4.215 1.00 0.00 O ATOM 1185 CB GLU X 81 81.710 -2.521 4.169 1.00 0.00 C ATOM 1186 CG GLU X 81 81.240 -3.643 5.090 1.00 0.00 C ATOM 1187 CD GLU X 81 81.730 -5.004 4.686 1.00 0.00 C ATOM 1188 OE1 GLU X 81 82.919 -5.298 4.918 1.00 0.00 O ATOM 1189 OE2 GLU X 81 80.941 -5.822 4.181 1.00 0.00 O ATOM 0 H GLU X 81 79.383 -1.669 4.371 1.00 0.00 H new ATOM 0 HA GLU X 81 81.823 -1.060 5.697 1.00 0.00 H new ATOM 0 HB2 GLU X 81 81.258 -2.648 3.185 1.00 0.00 H new ATOM 0 HB3 GLU X 81 82.790 -2.591 4.036 1.00 0.00 H new ATOM 0 HG2 GLU X 81 81.577 -3.432 6.105 1.00 0.00 H new ATOM 0 HG3 GLU X 81 80.150 -3.651 5.111 1.00 0.00 H new ATOM 1196 N TRP X 82 81.208 0.420 2.861 1.00 0.00 N ATOM 1197 CA TRP X 82 81.668 1.486 1.981 1.00 0.00 C ATOM 1198 C TRP X 82 81.754 2.801 2.731 1.00 0.00 C ATOM 1199 O TRP X 82 82.774 3.503 2.670 1.00 0.00 O ATOM 1200 CB TRP X 82 80.722 1.635 0.786 1.00 0.00 C ATOM 1201 CG TRP X 82 81.178 2.625 -0.255 1.00 0.00 C ATOM 1202 CD1 TRP X 82 82.041 2.380 -1.275 1.00 0.00 C ATOM 1203 CD2 TRP X 82 80.778 4.003 -0.395 1.00 0.00 C ATOM 1204 NE1 TRP X 82 82.200 3.497 -2.045 1.00 0.00 N ATOM 1205 CE2 TRP X 82 81.438 4.509 -1.532 1.00 0.00 C ATOM 1206 CE3 TRP X 82 79.927 4.851 0.324 1.00 0.00 C ATOM 1207 CZ2 TRP X 82 81.275 5.818 -1.972 1.00 0.00 C ATOM 1208 CZ3 TRP X 82 79.770 6.153 -0.110 1.00 0.00 C ATOM 1209 CH2 TRP X 82 80.438 6.623 -1.250 1.00 0.00 C ATOM 0 H TRP X 82 80.292 0.041 2.619 1.00 0.00 H new ATOM 0 HA TRP X 82 82.662 1.222 1.620 1.00 0.00 H new ATOM 0 HB2 TRP X 82 80.599 0.661 0.313 1.00 0.00 H new ATOM 0 HB3 TRP X 82 79.741 1.938 1.152 1.00 0.00 H new ATOM 0 HD1 TRP X 82 82.532 1.435 -1.452 1.00 0.00 H new ATOM 0 HE1 TRP X 82 82.793 3.565 -2.872 1.00 0.00 H new ATOM 0 HE3 TRP X 82 79.404 4.495 1.199 1.00 0.00 H new ATOM 0 HZ2 TRP X 82 81.789 6.184 -2.849 1.00 0.00 H new ATOM 0 HZ3 TRP X 82 79.122 6.821 0.438 1.00 0.00 H new ATOM 0 HH2 TRP X 82 80.288 7.645 -1.565 1.00 0.00 H new ATOM 1220 N ARG X 83 80.702 3.125 3.463 1.00 0.00 N ATOM 1221 CA ARG X 83 80.653 4.377 4.155 1.00 0.00 C ATOM 1222 C ARG X 83 81.653 4.415 5.290 1.00 0.00 C ATOM 1223 O ARG X 83 82.374 5.410 5.458 1.00 0.00 O ATOM 1224 CB ARG X 83 79.233 4.695 4.618 1.00 0.00 C ATOM 1225 CG ARG X 83 78.798 6.055 4.142 1.00 0.00 C ATOM 1226 CD ARG X 83 77.319 6.308 4.258 1.00 0.00 C ATOM 1227 NE ARG X 83 76.964 7.532 3.510 1.00 0.00 N ATOM 1228 CZ ARG X 83 76.847 8.775 4.009 1.00 0.00 C ATOM 1229 NH1 ARG X 83 77.048 9.010 5.291 1.00 0.00 N ATOM 1230 NH2 ARG X 83 76.529 9.781 3.204 1.00 0.00 N ATOM 0 H ARG X 83 79.880 2.534 3.586 1.00 0.00 H new ATOM 0 HA ARG X 83 80.941 5.163 3.457 1.00 0.00 H new ATOM 0 HB2 ARG X 83 78.546 3.938 4.240 1.00 0.00 H new ATOM 0 HB3 ARG X 83 79.185 4.655 5.706 1.00 0.00 H new ATOM 0 HG2 ARG X 83 79.331 6.815 4.714 1.00 0.00 H new ATOM 0 HG3 ARG X 83 79.095 6.174 3.100 1.00 0.00 H new ATOM 0 HD2 ARG X 83 76.763 5.456 3.866 1.00 0.00 H new ATOM 0 HD3 ARG X 83 77.040 6.417 5.306 1.00 0.00 H new ATOM 0 HE ARG X 83 76.790 7.422 2.511 1.00 0.00 H new ATOM 0 HH11 ARG X 83 77.296 8.244 5.917 1.00 0.00 H new ATOM 0 HH12 ARG X 83 76.956 9.958 5.656 1.00 0.00 H new ATOM 0 HH21 ARG X 83 76.374 9.610 2.210 1.00 0.00 H new ATOM 0 HH22 ARG X 83 76.439 10.725 3.579 1.00 0.00 H new ATOM 1244 N ALA X 84 81.752 3.316 6.011 1.00 0.00 N ATOM 1245 CA ALA X 84 82.676 3.208 7.122 1.00 0.00 C ATOM 1246 C ALA X 84 84.125 3.279 6.648 1.00 0.00 C ATOM 1247 O ALA X 84 84.923 4.016 7.220 1.00 0.00 O ATOM 1248 CB ALA X 84 82.428 1.937 7.912 1.00 0.00 C ATOM 0 H ALA X 84 81.197 2.477 5.844 1.00 0.00 H new ATOM 0 HA ALA X 84 82.500 4.058 7.782 1.00 0.00 H new ATOM 0 HB1 ALA X 84 83.134 1.880 8.740 1.00 0.00 H new ATOM 0 HB2 ALA X 84 81.410 1.944 8.303 1.00 0.00 H new ATOM 0 HB3 ALA X 84 82.561 1.073 7.261 1.00 0.00 H new ATOM 1254 N ALA X 85 84.451 2.546 5.578 1.00 0.00 N ATOM 1255 CA ALA X 85 85.811 2.530 5.041 1.00 0.00 C ATOM 1256 C ALA X 85 86.205 3.898 4.514 1.00 0.00 C ATOM 1257 O ALA X 85 87.356 4.316 4.656 1.00 0.00 O ATOM 1258 CB ALA X 85 85.965 1.479 3.952 1.00 0.00 C ATOM 0 H ALA X 85 83.791 1.958 5.069 1.00 0.00 H new ATOM 0 HA ALA X 85 86.481 2.270 5.860 1.00 0.00 H new ATOM 0 HB1 ALA X 85 86.987 1.494 3.574 1.00 0.00 H new ATOM 0 HB2 ALA X 85 85.744 0.494 4.363 1.00 0.00 H new ATOM 0 HB3 ALA X 85 85.274 1.695 3.137 1.00 0.00 H new ATOM 1264 N ASN X 86 85.248 4.593 3.907 1.00 0.00 N ATOM 1265 CA ASN X 86 85.487 5.945 3.406 1.00 0.00 C ATOM 1266 C ASN X 86 85.813 6.868 4.567 1.00 0.00 C ATOM 1267 O ASN X 86 86.745 7.667 4.501 1.00 0.00 O ATOM 1268 CB ASN X 86 84.250 6.514 2.694 1.00 0.00 C ATOM 1269 CG ASN X 86 84.512 7.895 2.091 1.00 0.00 C ATOM 1270 OD1 ASN X 86 84.469 8.912 2.783 1.00 0.00 O ATOM 1271 ND2 ASN X 86 84.659 7.960 0.807 1.00 0.00 N ATOM 0 H ASN X 86 84.302 4.245 3.750 1.00 0.00 H new ATOM 0 HA ASN X 86 86.315 5.887 2.699 1.00 0.00 H new ATOM 0 HB2 ASN X 86 83.940 5.828 1.905 1.00 0.00 H new ATOM 0 HB3 ASN X 86 83.424 6.580 3.402 1.00 0.00 H new ATOM 0 HD21 ASN X 86 84.742 8.867 0.348 1.00 0.00 H new ATOM 0 HD22 ASN X 86 84.692 7.104 0.253 1.00 0.00 H new ATOM 1278 N GLY X 87 85.060 6.734 5.626 1.00 0.00 N ATOM 1279 CA GLY X 87 85.220 7.605 6.756 1.00 0.00 C ATOM 1280 C GLY X 87 83.995 8.459 6.943 1.00 0.00 C ATOM 1281 O GLY X 87 84.033 9.499 7.602 1.00 0.00 O ATOM 0 H GLY X 87 84.330 6.029 5.728 1.00 0.00 H new ATOM 0 HA2 GLY X 87 85.399 7.015 7.655 1.00 0.00 H new ATOM 0 HA3 GLY X 87 86.094 8.240 6.612 1.00 0.00 H new ATOM 1285 N LYS X 88 82.908 8.023 6.351 1.00 0.00 N ATOM 1286 CA LYS X 88 81.662 8.664 6.422 1.00 0.00 C ATOM 1287 C LYS X 88 80.833 7.944 7.478 1.00 0.00 C ATOM 1288 O LYS X 88 81.139 6.795 7.815 1.00 0.00 O ATOM 1289 CB LYS X 88 80.989 8.494 5.079 1.00 0.00 C ATOM 1290 CG LYS X 88 81.608 9.238 3.921 1.00 0.00 C ATOM 1291 CD LYS X 88 80.884 8.923 2.611 1.00 0.00 C ATOM 1292 CE LYS X 88 81.559 9.577 1.402 1.00 0.00 C ATOM 1293 NZ LYS X 88 81.593 11.052 1.480 1.00 0.00 N ATOM 0 H LYS X 88 82.891 7.173 5.788 1.00 0.00 H new ATOM 0 HA LYS X 88 81.765 9.720 6.671 1.00 0.00 H new ATOM 0 HB2 LYS X 88 80.976 7.432 4.835 1.00 0.00 H new ATOM 0 HB3 LYS X 88 79.951 8.812 5.174 1.00 0.00 H new ATOM 0 HG2 LYS X 88 81.570 10.310 4.112 1.00 0.00 H new ATOM 0 HG3 LYS X 88 82.660 8.968 3.832 1.00 0.00 H new ATOM 0 HD2 LYS X 88 80.852 7.843 2.467 1.00 0.00 H new ATOM 0 HD3 LYS X 88 79.852 9.266 2.678 1.00 0.00 H new ATOM 0 HE2 LYS X 88 82.578 9.201 1.316 1.00 0.00 H new ATOM 0 HE3 LYS X 88 81.032 9.280 0.495 1.00 0.00 H new ATOM 0 HZ1 LYS X 88 82.000 11.437 0.604 1.00 0.00 H new ATOM 0 HZ2 LYS X 88 80.626 11.416 1.601 1.00 0.00 H new ATOM 0 HZ3 LYS X 88 82.177 11.343 2.290 1.00 0.00 H new ATOM 1307 N PRO X 89 79.813 8.584 8.039 1.00 0.00 N ATOM 1308 CA PRO X 89 78.935 7.924 8.989 1.00 0.00 C ATOM 1309 C PRO X 89 78.046 6.908 8.288 1.00 0.00 C ATOM 1310 O PRO X 89 77.443 7.214 7.257 1.00 0.00 O ATOM 1311 CB PRO X 89 78.098 9.060 9.587 1.00 0.00 C ATOM 1312 CG PRO X 89 78.147 10.152 8.574 1.00 0.00 C ATOM 1313 CD PRO X 89 79.454 9.999 7.838 1.00 0.00 C ATOM 0 HA PRO X 89 79.487 7.371 9.749 1.00 0.00 H new ATOM 0 HB2 PRO X 89 77.073 8.739 9.772 1.00 0.00 H new ATOM 0 HB3 PRO X 89 78.506 9.390 10.542 1.00 0.00 H new ATOM 0 HG2 PRO X 89 77.304 10.080 7.886 1.00 0.00 H new ATOM 0 HG3 PRO X 89 78.085 11.129 9.054 1.00 0.00 H new ATOM 0 HD2 PRO X 89 79.346 10.237 6.780 1.00 0.00 H new ATOM 0 HD3 PRO X 89 80.218 10.665 8.238 1.00 0.00 H new ATOM 1321 N GLY X 90 78.005 5.714 8.807 1.00 0.00 N ATOM 1322 CA GLY X 90 77.186 4.695 8.230 1.00 0.00 C ATOM 1323 C GLY X 90 75.820 4.674 8.855 1.00 0.00 C ATOM 1324 O GLY X 90 75.104 5.678 8.837 1.00 0.00 O ATOM 0 H GLY X 90 78.532 5.425 9.631 1.00 0.00 H new ATOM 0 HA2 GLY X 90 77.095 4.863 7.157 1.00 0.00 H new ATOM 0 HA3 GLY X 90 77.663 3.724 8.361 1.00 0.00 H new ATOM 1328 N PHE X 91 75.483 3.575 9.447 1.00 0.00 N ATOM 1329 CA PHE X 91 74.184 3.397 10.054 1.00 0.00 C ATOM 1330 C PHE X 91 74.248 3.676 11.521 1.00 0.00 C ATOM 1331 O PHE X 91 75.313 3.550 12.139 1.00 0.00 O ATOM 1332 CB PHE X 91 73.697 1.975 9.844 1.00 0.00 C ATOM 1333 CG PHE X 91 73.582 1.621 8.417 1.00 0.00 C ATOM 1334 CD1 PHE X 91 72.582 2.161 7.659 1.00 0.00 C ATOM 1335 CD2 PHE X 91 74.486 0.766 7.820 1.00 0.00 C ATOM 1336 CE1 PHE X 91 72.478 1.858 6.341 1.00 0.00 C ATOM 1337 CE2 PHE X 91 74.377 0.463 6.487 1.00 0.00 C ATOM 1338 CZ PHE X 91 73.373 1.009 5.751 1.00 0.00 C ATOM 0 H PHE X 91 76.097 2.765 9.529 1.00 0.00 H new ATOM 0 HA PHE X 91 73.492 4.095 9.583 1.00 0.00 H new ATOM 0 HB2 PHE X 91 74.384 1.284 10.332 1.00 0.00 H new ATOM 0 HB3 PHE X 91 72.726 1.852 10.325 1.00 0.00 H new ATOM 0 HD1 PHE X 91 71.869 2.834 8.112 1.00 0.00 H new ATOM 0 HD2 PHE X 91 75.284 0.333 8.406 1.00 0.00 H new ATOM 0 HE1 PHE X 91 71.682 2.291 5.753 1.00 0.00 H new ATOM 0 HE2 PHE X 91 75.086 -0.207 6.024 1.00 0.00 H new ATOM 0 HZ PHE X 91 73.282 0.772 4.701 1.00 0.00 H new ATOM 1348 N LYS X 92 73.135 4.054 12.082 1.00 0.00 N ATOM 1349 CA LYS X 92 73.039 4.264 13.463 1.00 0.00 C ATOM 1350 C LYS X 92 72.636 2.963 14.115 1.00 0.00 C ATOM 1351 O LYS X 92 72.342 1.973 13.433 1.00 0.00 O ATOM 1352 CB LYS X 92 71.995 5.325 13.767 1.00 0.00 C ATOM 1353 CG LYS X 92 70.568 4.909 13.488 1.00 0.00 C ATOM 1354 CD LYS X 92 69.552 5.882 14.074 1.00 0.00 C ATOM 1355 CE LYS X 92 69.546 5.852 15.593 1.00 0.00 C ATOM 1356 NZ LYS X 92 68.482 6.702 16.153 1.00 0.00 N ATOM 0 H LYS X 92 72.269 4.222 11.570 1.00 0.00 H new ATOM 0 HA LYS X 92 74.000 4.604 13.848 1.00 0.00 H new ATOM 0 HB2 LYS X 92 72.078 5.606 14.817 1.00 0.00 H new ATOM 0 HB3 LYS X 92 72.220 6.215 13.180 1.00 0.00 H new ATOM 0 HG2 LYS X 92 70.418 4.837 12.411 1.00 0.00 H new ATOM 0 HG3 LYS X 92 70.395 3.915 13.901 1.00 0.00 H new ATOM 0 HD2 LYS X 92 69.778 6.892 13.732 1.00 0.00 H new ATOM 0 HD3 LYS X 92 68.557 5.635 13.703 1.00 0.00 H new ATOM 0 HE2 LYS X 92 69.410 4.826 15.936 1.00 0.00 H new ATOM 0 HE3 LYS X 92 70.513 6.187 15.967 1.00 0.00 H new ATOM 0 HZ1 LYS X 92 68.511 6.655 17.192 1.00 0.00 H new ATOM 0 HZ2 LYS X 92 68.626 7.685 15.847 1.00 0.00 H new ATOM 0 HZ3 LYS X 92 67.557 6.367 15.817 1.00 0.00 H new ATOM 1370 N GLN X 93 72.579 2.979 15.397 1.00 0.00 N ATOM 1371 CA GLN X 93 72.226 1.853 16.147 1.00 0.00 C ATOM 1372 C GLN X 93 70.740 1.894 16.437 1.00 0.00 C ATOM 1373 O GLN X 93 70.181 2.957 16.740 1.00 0.00 O ATOM 1374 CB GLN X 93 73.003 1.858 17.448 1.00 0.00 C ATOM 1375 CG GLN X 93 74.527 1.677 17.327 1.00 0.00 C ATOM 1376 CD GLN X 93 75.281 2.900 16.798 1.00 0.00 C ATOM 1377 OE1 GLN X 93 74.841 4.071 17.150 1.00 0.00 O flip ATOM 1378 NE2 GLN X 93 76.296 2.776 16.123 1.00 0.00 N flip ATOM 0 H GLN X 93 72.784 3.805 15.960 1.00 0.00 H new ATOM 0 HA GLN X 93 72.460 0.946 15.590 1.00 0.00 H new ATOM 0 HB2 GLN X 93 72.809 2.801 17.960 1.00 0.00 H new ATOM 0 HB3 GLN X 93 72.612 1.064 18.084 1.00 0.00 H new ATOM 0 HG2 GLN X 93 74.927 1.418 18.308 1.00 0.00 H new ATOM 0 HG3 GLN X 93 74.727 0.832 16.668 1.00 0.00 H new ATOM 0 HE21 GLN X 93 76.622 1.846 15.859 1.00 0.00 H new ATOM 0 HE22 GLN X 93 76.815 3.602 15.825 1.00 0.00 H new ATOM 1387 N GLY X 94 70.109 0.781 16.314 1.00 0.00 N ATOM 1388 CA GLY X 94 68.710 0.675 16.603 1.00 0.00 C ATOM 1389 C GLY X 94 68.139 -0.543 15.958 1.00 0.00 C ATOM 1390 O GLY X 94 68.887 -1.531 15.802 1.00 0.00 O ATOM 1391 OXT GLY X 94 66.961 -0.536 15.567 1.00 0.00 O ATOM 0 H GLY X 94 70.544 -0.090 16.009 1.00 0.00 H new ATOM 0 HA2 GLY X 94 68.557 0.630 17.681 1.00 0.00 H new ATOM 0 HA3 GLY X 94 68.189 1.563 16.244 1.00 0.00 H new