USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 914 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: B 163 SER OG : rot -128:sc= 1.31 USER MOD Set 1.2: B 165 THR OG1 : rot 180:sc= 0.985 USER MOD Set 2.1: A 62 LYS NZ :NH3+ -166:sc= 1.13 (180deg=0.822) USER MOD Set 2.2: A 120 HIS : no HD1:sc= 0.0752 K(o=1.2,f=-2.2) USER MOD Set 3.1: A 67 TYR OH : rot 0:sc= 0.508 USER MOD Set 3.2: A 123 LYS NZ :NH3+ -127:sc= 0.476 (180deg=-0.149) USER MOD Set 4.1: A 54 SER OG : rot 81:sc= -0.294 USER MOD Set 4.2: A 65 SER OG : rot -60:sc= 0.744 USER MOD Set 5.1: A 9 ASN : amide:sc= 1.36 K(o=1.5,f=-1.1!) USER MOD Set 5.2: A 35 TYR OH : rot 180:sc= 0.1 USER MOD Set 6.1: A 27 SER OG : rot 180:sc= 0.776 USER MOD Set 6.2: A 31 LYS NZ :NH3+ 168:sc= 0.881 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.8) USER MOD Single : A 13 THR OG1 : rot 80:sc= 1.26 USER MOD Single : A 16 SER OG : rot 78:sc= 0.267 USER MOD Single : A 18 LYS NZ :NH3+ 151:sc= 1.24 (180deg=1.16) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0311) USER MOD Single : A 33 THR OG1 : rot -77:sc= 0.729 USER MOD Single : A 34 THR OG1 : rot 94:sc= 1.23 USER MOD Single : A 39 HIS : no HD1:sc= -0.0627 X(o=-0.063,f=-0.47) USER MOD Single : A 44 SER OG : rot -86:sc=0.000431 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 86:sc= 0.397 USER MOD Single : A 53 TYR OH : rot 68:sc= 0.377 USER MOD Single : A 57 CYS SG : rot 166:sc= 1.14 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -2.15! C(o=-2.1!,f=-3.8!) USER MOD Single : A 71 SER OG : rot -112:sc= -0.277 USER MOD Single : A 76 TYR OH : rot 180:sc=-0.00188 USER MOD Single : A 80 THR OG1 : rot -160:sc= 0 USER MOD Single : A 93 THR OG1 : rot -4:sc= 0.69 USER MOD Single : A 94 CYS SG : rot -150:sc= -0.11 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 99 ASN : amide:sc=-0.00482 K(o=-0.0048,f=-1.2) USER MOD Single : A 100 THR OG1 : rot 63:sc= 1.21 USER MOD Single : A 106 GLN : amide:sc= 0.139 K(o=0.14,f=-0.84) USER MOD Single : A 110 SER OG : rot -82:sc= 0.852 USER MOD Single : A 115 LYS NZ :NH3+ -162:sc= 1.27 (180deg=1.21) USER MOD Single : A 116 SER OG : rot -63:sc= 1.25 USER MOD Single : A 117 ASN : amide:sc= 0.405 K(o=0.4,f=-4.4!) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 MET CE :methyl 142:sc=-0.00609 (180deg=-0.517) USER MOD Single : B 161 SER OG : rot 180:sc= -0.0731 USER MOD Single : B 162 TYR OH : rot -9:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 78 N ASP A 6 -3.321 -6.606 20.178 1.00 0.00 N ATOM 79 CA ASP A 6 -3.270 -5.205 19.792 1.00 0.00 C ATOM 80 C ASP A 6 -2.394 -5.055 18.544 1.00 0.00 C ATOM 81 O ASP A 6 -2.440 -5.898 17.648 1.00 0.00 O ATOM 82 CB ASP A 6 -2.746 -4.378 20.972 1.00 0.00 C ATOM 83 CG ASP A 6 -3.662 -4.502 22.188 1.00 0.00 C ATOM 84 OD1 ASP A 6 -4.719 -3.829 22.182 1.00 0.00 O ATOM 85 OD2 ASP A 6 -3.301 -5.263 23.110 1.00 0.00 O ATOM 0 HA ASP A 6 -4.265 -4.836 19.542 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.742 -4.711 21.235 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.668 -3.331 20.679 1.00 0.00 H new ATOM 90 N PHE A 7 -1.595 -3.986 18.476 1.00 0.00 N ATOM 91 CA PHE A 7 -0.702 -3.727 17.352 1.00 0.00 C ATOM 92 C PHE A 7 0.242 -4.907 17.094 1.00 0.00 C ATOM 93 O PHE A 7 0.861 -4.992 16.033 1.00 0.00 O ATOM 94 CB PHE A 7 0.098 -2.463 17.661 1.00 0.00 C ATOM 95 CG PHE A 7 0.936 -1.955 16.507 1.00 0.00 C ATOM 96 CD1 PHE A 7 0.369 -1.813 15.234 1.00 0.00 C ATOM 97 CD2 PHE A 7 2.286 -1.624 16.709 1.00 0.00 C ATOM 98 CE1 PHE A 7 1.149 -1.351 14.166 1.00 0.00 C ATOM 99 CE2 PHE A 7 3.062 -1.151 15.642 1.00 0.00 C ATOM 100 CZ PHE A 7 2.496 -1.020 14.370 1.00 0.00 C ATOM 0 H PHE A 7 -1.552 -3.274 19.205 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.295 -3.592 16.447 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.592 -1.677 17.967 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.752 -2.660 18.510 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.670 -2.060 15.076 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.727 -1.734 17.689 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.712 -1.250 13.184 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.097 -0.888 15.802 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.096 -0.664 13.545 1.00 0.00 H new ATOM 110 N GLN A 8 0.358 -5.823 18.061 1.00 0.00 N ATOM 111 CA GLN A 8 1.155 -7.028 17.921 1.00 0.00 C ATOM 112 C GLN A 8 0.719 -7.812 16.689 1.00 0.00 C ATOM 113 O GLN A 8 1.568 -8.325 15.967 1.00 0.00 O ATOM 114 CB GLN A 8 0.989 -7.871 19.192 1.00 0.00 C ATOM 115 CG GLN A 8 1.672 -9.239 19.081 1.00 0.00 C ATOM 116 CD GLN A 8 3.191 -9.148 18.946 1.00 0.00 C ATOM 117 OE1 GLN A 8 3.782 -8.079 19.062 1.00 0.00 O ATOM 118 NE2 GLN A 8 3.838 -10.286 18.700 1.00 0.00 N ATOM 0 H GLN A 8 -0.105 -5.741 18.966 1.00 0.00 H new ATOM 0 HA GLN A 8 2.205 -6.768 17.791 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.405 -7.328 20.041 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.073 -8.014 19.394 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.428 -9.832 19.963 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.269 -9.769 18.218 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.318 -11.159 18.609 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.853 -10.285 18.603 1.00 0.00 H new ATOM 127 N ASN A 9 -0.588 -7.913 16.434 1.00 0.00 N ATOM 128 CA ASN A 9 -1.069 -8.639 15.268 1.00 0.00 C ATOM 129 C ASN A 9 -0.604 -7.961 13.984 1.00 0.00 C ATOM 130 O ASN A 9 -0.272 -8.653 13.025 1.00 0.00 O ATOM 131 CB ASN A 9 -2.593 -8.778 15.330 1.00 0.00 C ATOM 132 CG ASN A 9 -3.012 -9.736 16.442 1.00 0.00 C ATOM 133 OD1 ASN A 9 -2.189 -10.461 16.993 1.00 0.00 O ATOM 134 ND2 ASN A 9 -4.293 -9.752 16.784 1.00 0.00 N ATOM 0 H ASN A 9 -1.320 -7.505 17.015 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.646 -9.643 15.269 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.044 -7.800 15.499 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.968 -9.141 14.373 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.616 -10.378 17.522 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -4.955 -9.139 16.309 1.00 0.00 H new ATOM 141 N PHE A 10 -0.574 -6.627 13.942 1.00 0.00 N ATOM 142 CA PHE A 10 -0.121 -5.933 12.745 1.00 0.00 C ATOM 143 C PHE A 10 1.353 -6.237 12.495 1.00 0.00 C ATOM 144 O PHE A 10 1.723 -6.703 11.418 1.00 0.00 O ATOM 145 CB PHE A 10 -0.341 -4.426 12.894 1.00 0.00 C ATOM 146 CG PHE A 10 -0.008 -3.643 11.642 1.00 0.00 C ATOM 147 CD1 PHE A 10 1.324 -3.350 11.317 1.00 0.00 C ATOM 148 CD2 PHE A 10 -1.039 -3.207 10.801 1.00 0.00 C ATOM 149 CE1 PHE A 10 1.626 -2.639 10.145 1.00 0.00 C ATOM 150 CE2 PHE A 10 -0.737 -2.495 9.631 1.00 0.00 C ATOM 151 CZ PHE A 10 0.595 -2.212 9.300 1.00 0.00 C ATOM 0 H PHE A 10 -0.854 -6.019 14.711 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.700 -6.283 11.890 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.382 -4.243 13.162 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.270 -4.057 13.718 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.121 -3.673 11.971 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.067 -3.419 11.053 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.654 -2.421 9.895 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.534 -2.163 8.982 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.825 -1.667 8.397 1.00 0.00 H new ATOM 161 N VAL A 11 2.196 -5.971 13.499 1.00 0.00 N ATOM 162 CA VAL A 11 3.630 -6.172 13.365 1.00 0.00 C ATOM 163 C VAL A 11 3.929 -7.638 13.075 1.00 0.00 C ATOM 164 O VAL A 11 4.614 -7.952 12.109 1.00 0.00 O ATOM 165 CB VAL A 11 4.347 -5.714 14.637 1.00 0.00 C ATOM 166 CG1 VAL A 11 5.854 -5.933 14.501 1.00 0.00 C ATOM 167 CG2 VAL A 11 4.108 -4.227 14.881 1.00 0.00 C ATOM 0 H VAL A 11 1.903 -5.617 14.410 1.00 0.00 H new ATOM 0 HA VAL A 11 3.996 -5.575 12.530 1.00 0.00 H new ATOM 0 HB VAL A 11 3.952 -6.297 15.469 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.353 -5.603 15.412 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.055 -6.992 14.340 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.230 -5.360 13.654 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.626 -3.920 15.790 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.488 -3.654 14.035 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.039 -4.044 14.992 1.00 0.00 H new ATOM 177 N ALA A 12 3.410 -8.538 13.916 1.00 0.00 N ATOM 178 CA ALA A 12 3.639 -9.965 13.790 1.00 0.00 C ATOM 179 C ALA A 12 3.190 -10.490 12.424 1.00 0.00 C ATOM 180 O ALA A 12 3.830 -11.385 11.880 1.00 0.00 O ATOM 181 CB ALA A 12 2.897 -10.676 14.921 1.00 0.00 C ATOM 0 H ALA A 12 2.816 -8.286 14.706 1.00 0.00 H new ATOM 0 HA ALA A 12 4.708 -10.165 13.865 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.058 -11.751 14.842 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.272 -10.322 15.881 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.831 -10.462 14.847 1.00 0.00 H new ATOM 187 N THR A 13 2.100 -9.948 11.860 1.00 0.00 N ATOM 188 CA THR A 13 1.667 -10.371 10.537 1.00 0.00 C ATOM 189 C THR A 13 2.658 -9.901 9.476 1.00 0.00 C ATOM 190 O THR A 13 3.022 -10.674 8.591 1.00 0.00 O ATOM 191 CB THR A 13 0.263 -9.848 10.228 1.00 0.00 C ATOM 192 OG1 THR A 13 -0.655 -10.401 11.142 1.00 0.00 O ATOM 193 CG2 THR A 13 -0.166 -10.280 8.830 1.00 0.00 C ATOM 0 H THR A 13 1.519 -9.232 12.295 1.00 0.00 H new ATOM 0 HA THR A 13 1.633 -11.460 10.523 1.00 0.00 H new ATOM 0 HB THR A 13 0.279 -8.760 10.298 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.606 -9.914 11.991 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.167 -9.901 8.623 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.533 -9.880 8.095 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.171 -11.368 8.771 1.00 0.00 H new ATOM 201 N LEU A 14 3.097 -8.640 9.558 1.00 0.00 N ATOM 202 CA LEU A 14 4.029 -8.109 8.578 1.00 0.00 C ATOM 203 C LEU A 14 5.381 -8.816 8.687 1.00 0.00 C ATOM 204 O LEU A 14 6.104 -8.941 7.700 1.00 0.00 O ATOM 205 CB LEU A 14 4.184 -6.599 8.801 1.00 0.00 C ATOM 206 CG LEU A 14 4.869 -5.896 7.626 1.00 0.00 C ATOM 207 CD1 LEU A 14 4.023 -5.967 6.354 1.00 0.00 C ATOM 208 CD2 LEU A 14 5.058 -4.429 7.992 1.00 0.00 C ATOM 0 H LEU A 14 2.822 -7.981 10.286 1.00 0.00 H new ATOM 0 HA LEU A 14 3.642 -8.285 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.201 -6.157 8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.762 -6.427 9.709 1.00 0.00 H new ATOM 0 HG LEU A 14 5.821 -6.392 7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.542 -5.457 5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.861 -7.010 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.062 -5.484 6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.545 -3.908 7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.086 -3.974 8.185 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.678 -4.354 8.885 1.00 0.00 H new ATOM 220 N GLU A 15 5.723 -9.283 9.891 1.00 0.00 N ATOM 221 CA GLU A 15 6.952 -10.022 10.155 1.00 0.00 C ATOM 222 C GLU A 15 6.872 -11.403 9.518 1.00 0.00 C ATOM 223 O GLU A 15 7.824 -11.852 8.881 1.00 0.00 O ATOM 224 CB GLU A 15 7.144 -10.169 11.662 1.00 0.00 C ATOM 225 CG GLU A 15 7.456 -8.826 12.322 1.00 0.00 C ATOM 226 CD GLU A 15 8.956 -8.553 12.344 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.462 -8.011 11.335 1.00 0.00 O ATOM 228 OE2 GLU A 15 9.588 -8.887 13.371 1.00 0.00 O ATOM 0 H GLU A 15 5.142 -9.154 10.720 1.00 0.00 H new ATOM 0 HA GLU A 15 7.795 -9.478 9.730 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.242 -10.592 12.105 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.955 -10.870 11.860 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.947 -8.027 11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.069 -8.821 13.341 1.00 0.00 H new ATOM 235 N SER A 16 5.734 -12.081 9.687 1.00 0.00 N ATOM 236 CA SER A 16 5.505 -13.350 9.012 1.00 0.00 C ATOM 237 C SER A 16 5.532 -13.145 7.499 1.00 0.00 C ATOM 238 O SER A 16 5.892 -14.056 6.755 1.00 0.00 O ATOM 239 CB SER A 16 4.160 -13.932 9.438 1.00 0.00 C ATOM 240 OG SER A 16 4.189 -14.239 10.814 1.00 0.00 O ATOM 0 H SER A 16 4.965 -11.771 10.282 1.00 0.00 H new ATOM 0 HA SER A 16 6.295 -14.048 9.289 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.362 -13.218 9.232 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.942 -14.830 8.860 1.00 0.00 H new ATOM 0 HG SER A 16 4.086 -13.416 11.335 1.00 0.00 H new ATOM 246 N PHE A 17 5.148 -11.948 7.040 1.00 0.00 N ATOM 247 CA PHE A 17 5.224 -11.606 5.628 1.00 0.00 C ATOM 248 C PHE A 17 6.673 -11.336 5.216 1.00 0.00 C ATOM 249 O PHE A 17 7.062 -11.608 4.083 1.00 0.00 O ATOM 250 CB PHE A 17 4.345 -10.381 5.369 1.00 0.00 C ATOM 251 CG PHE A 17 3.518 -10.451 4.097 1.00 0.00 C ATOM 252 CD1 PHE A 17 3.959 -11.187 2.984 1.00 0.00 C ATOM 253 CD2 PHE A 17 2.292 -9.773 4.033 1.00 0.00 C ATOM 254 CE1 PHE A 17 3.178 -11.252 1.822 1.00 0.00 C ATOM 255 CE2 PHE A 17 1.513 -9.835 2.870 1.00 0.00 C ATOM 256 CZ PHE A 17 1.951 -10.579 1.767 1.00 0.00 C ATOM 0 H PHE A 17 4.782 -11.203 7.633 1.00 0.00 H new ATOM 0 HA PHE A 17 4.864 -12.442 5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.673 -10.247 6.216 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.981 -9.497 5.324 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.905 -11.706 3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.947 -9.202 4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.522 -11.820 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.572 -9.307 2.824 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.344 -10.634 0.876 1.00 0.00 H new ATOM 266 N LYS A 18 7.476 -10.796 6.140 1.00 0.00 N ATOM 267 CA LYS A 18 8.880 -10.491 5.901 1.00 0.00 C ATOM 268 C LYS A 18 9.702 -11.776 5.819 1.00 0.00 C ATOM 269 O LYS A 18 10.699 -11.829 5.104 1.00 0.00 O ATOM 270 CB LYS A 18 9.362 -9.582 7.039 1.00 0.00 C ATOM 271 CG LYS A 18 10.794 -9.086 6.819 1.00 0.00 C ATOM 272 CD LYS A 18 11.255 -8.274 8.035 1.00 0.00 C ATOM 273 CE LYS A 18 10.389 -7.024 8.228 1.00 0.00 C ATOM 274 NZ LYS A 18 10.706 -6.353 9.502 1.00 0.00 N ATOM 0 H LYS A 18 7.161 -10.559 7.081 1.00 0.00 H new ATOM 0 HA LYS A 18 9.005 -9.978 4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.693 -8.726 7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.309 -10.125 7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.462 -9.933 6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.842 -8.471 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.207 -8.895 8.930 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.297 -7.981 7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.550 -6.334 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.335 -7.301 8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.521 -5.334 9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.113 -6.748 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.709 -6.503 9.734 1.00 0.00 H new ATOM 359 N ILE A 24 1.879 -13.809 -2.495 1.00 0.00 N ATOM 360 CA ILE A 24 1.047 -12.876 -1.741 1.00 0.00 C ATOM 361 C ILE A 24 -0.109 -13.649 -1.112 1.00 0.00 C ATOM 362 O ILE A 24 -0.599 -14.615 -1.697 1.00 0.00 O ATOM 363 CB ILE A 24 0.532 -11.764 -2.669 1.00 0.00 C ATOM 364 CG1 ILE A 24 1.623 -11.250 -3.613 1.00 0.00 C ATOM 365 CG2 ILE A 24 -0.030 -10.585 -1.868 1.00 0.00 C ATOM 366 CD1 ILE A 24 2.842 -10.698 -2.872 1.00 0.00 C ATOM 0 HA ILE A 24 1.631 -12.405 -0.950 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.264 -12.210 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.940 -12.061 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.207 -10.469 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.386 -9.816 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.857 -10.928 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.753 -10.171 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.580 -10.349 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.536 -9.867 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.280 -11.484 -2.256 1.00 0.00 H new ATOM 378 N SER A 25 -0.548 -13.232 0.075 1.00 0.00 N ATOM 379 CA SER A 25 -1.693 -13.842 0.729 1.00 0.00 C ATOM 380 C SER A 25 -2.551 -12.757 1.362 1.00 0.00 C ATOM 381 O SER A 25 -2.082 -11.991 2.202 1.00 0.00 O ATOM 382 CB SER A 25 -1.235 -14.875 1.757 1.00 0.00 C ATOM 383 OG SER A 25 -2.365 -15.470 2.361 1.00 0.00 O ATOM 0 H SER A 25 -0.122 -12.470 0.602 1.00 0.00 H new ATOM 0 HA SER A 25 -2.298 -14.369 -0.009 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.623 -15.637 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.613 -14.399 2.515 1.00 0.00 H new ATOM 0 HG SER A 25 -2.072 -16.134 3.019 1.00 0.00 H new ATOM 389 N GLY A 26 -3.816 -12.698 0.950 1.00 0.00 N ATOM 390 CA GLY A 26 -4.755 -11.686 1.400 1.00 0.00 C ATOM 391 C GLY A 26 -5.030 -11.780 2.895 1.00 0.00 C ATOM 392 O GLY A 26 -5.483 -10.804 3.483 1.00 0.00 O ATOM 0 H GLY A 26 -4.217 -13.361 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.360 -10.697 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.692 -11.793 0.853 1.00 0.00 H new ATOM 396 N SER A 27 -4.763 -12.929 3.524 1.00 0.00 N ATOM 397 CA SER A 27 -4.967 -13.055 4.961 1.00 0.00 C ATOM 398 C SER A 27 -4.004 -12.136 5.703 1.00 0.00 C ATOM 399 O SER A 27 -4.394 -11.479 6.666 1.00 0.00 O ATOM 400 CB SER A 27 -4.780 -14.511 5.387 1.00 0.00 C ATOM 401 OG SER A 27 -4.976 -14.631 6.779 1.00 0.00 O ATOM 0 H SER A 27 -4.411 -13.769 3.065 1.00 0.00 H new ATOM 0 HA SER A 27 -5.985 -12.756 5.212 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.486 -15.149 4.855 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.779 -14.852 5.121 1.00 0.00 H new ATOM 0 HG SER A 27 -4.857 -15.566 7.047 1.00 0.00 H new ATOM 407 N ARG A 28 -2.746 -12.086 5.257 1.00 0.00 N ATOM 408 CA ARG A 28 -1.767 -11.193 5.851 1.00 0.00 C ATOM 409 C ARG A 28 -2.255 -9.757 5.693 1.00 0.00 C ATOM 410 O ARG A 28 -2.256 -8.976 6.641 1.00 0.00 O ATOM 411 CB ARG A 28 -0.416 -11.335 5.147 1.00 0.00 C ATOM 412 CG ARG A 28 0.147 -12.756 5.066 1.00 0.00 C ATOM 413 CD ARG A 28 0.412 -13.381 6.437 1.00 0.00 C ATOM 414 NE ARG A 28 -0.750 -14.120 6.940 1.00 0.00 N ATOM 415 CZ ARG A 28 -1.159 -15.287 6.425 1.00 0.00 C ATOM 416 NH1 ARG A 28 -0.525 -15.844 5.397 1.00 0.00 N ATOM 417 NH2 ARG A 28 -2.215 -15.909 6.944 1.00 0.00 N ATOM 0 H ARG A 28 -2.389 -12.654 4.489 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.647 -11.446 6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.513 -10.945 4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.309 -10.706 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.553 -13.386 4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.076 -12.739 4.496 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.267 -14.053 6.369 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.678 -12.598 7.147 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.273 -13.726 7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.287 -15.382 4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.851 -16.733 5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.712 -15.497 7.733 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.527 -16.798 6.552 1.00 0.00 H new ATOM 431 N ILE A 29 -2.674 -9.417 4.472 1.00 0.00 N ATOM 432 CA ILE A 29 -3.127 -8.079 4.138 1.00 0.00 C ATOM 433 C ILE A 29 -4.375 -7.728 4.945 1.00 0.00 C ATOM 434 O ILE A 29 -4.563 -6.573 5.324 1.00 0.00 O ATOM 435 CB ILE A 29 -3.383 -8.008 2.625 1.00 0.00 C ATOM 436 CG1 ILE A 29 -2.113 -8.432 1.871 1.00 0.00 C ATOM 437 CG2 ILE A 29 -3.782 -6.584 2.231 1.00 0.00 C ATOM 438 CD1 ILE A 29 -2.301 -8.443 0.352 1.00 0.00 C ATOM 0 H ILE A 29 -2.706 -10.070 3.689 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.363 -7.345 4.395 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.197 -8.684 2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.300 -7.753 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.814 -9.426 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.962 -6.541 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.690 -6.300 2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.978 -5.896 2.492 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.371 -8.750 -0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.094 -9.143 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.572 -7.444 0.012 1.00 0.00 H new ATOM 450 N LYS A 30 -5.233 -8.716 5.216 1.00 0.00 N ATOM 451 CA LYS A 30 -6.439 -8.505 5.998 1.00 0.00 C ATOM 452 C LYS A 30 -6.095 -8.214 7.455 1.00 0.00 C ATOM 453 O LYS A 30 -6.741 -7.360 8.057 1.00 0.00 O ATOM 454 CB LYS A 30 -7.378 -9.710 5.849 1.00 0.00 C ATOM 455 CG LYS A 30 -8.135 -9.626 4.525 1.00 0.00 C ATOM 456 CD LYS A 30 -9.254 -8.583 4.604 1.00 0.00 C ATOM 457 CE LYS A 30 -9.802 -8.274 3.211 1.00 0.00 C ATOM 458 NZ LYS A 30 -10.405 -9.464 2.583 1.00 0.00 N ATOM 0 H LYS A 30 -5.106 -9.677 4.898 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.965 -7.629 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.804 -10.636 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.084 -9.736 6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.445 -9.366 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.557 -10.601 4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.057 -8.951 5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.875 -7.670 5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.548 -7.483 3.281 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.997 -7.898 2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.884 -9.187 1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.661 -10.158 2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.096 -9.888 3.234 1.00 0.00 H new ATOM 472 N LYS A 31 -5.101 -8.892 8.043 1.00 0.00 N ATOM 473 CA LYS A 31 -4.678 -8.567 9.405 1.00 0.00 C ATOM 474 C LYS A 31 -4.080 -7.164 9.451 1.00 0.00 C ATOM 475 O LYS A 31 -4.362 -6.401 10.373 1.00 0.00 O ATOM 476 CB LYS A 31 -3.661 -9.598 9.908 1.00 0.00 C ATOM 477 CG LYS A 31 -4.241 -10.442 11.047 1.00 0.00 C ATOM 478 CD LYS A 31 -5.403 -11.325 10.586 1.00 0.00 C ATOM 479 CE LYS A 31 -4.923 -12.364 9.576 1.00 0.00 C ATOM 480 NZ LYS A 31 -6.044 -13.178 9.069 1.00 0.00 N ATOM 0 H LYS A 31 -4.585 -9.655 7.604 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.551 -8.595 10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.363 -10.249 9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.762 -9.087 10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.455 -11.070 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.583 -9.784 11.845 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.850 -11.825 11.445 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.181 -10.707 10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.429 -11.863 8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.182 -13.013 10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.728 -13.730 8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.369 -13.825 9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.827 -12.554 8.787 1.00 0.00 H new ATOM 494 N LEU A 32 -3.257 -6.817 8.460 1.00 0.00 N ATOM 495 CA LEU A 32 -2.615 -5.512 8.422 1.00 0.00 C ATOM 496 C LEU A 32 -3.657 -4.396 8.321 1.00 0.00 C ATOM 497 O LEU A 32 -3.690 -3.508 9.172 1.00 0.00 O ATOM 498 CB LEU A 32 -1.619 -5.473 7.258 1.00 0.00 C ATOM 499 CG LEU A 32 -0.441 -6.433 7.470 1.00 0.00 C ATOM 500 CD1 LEU A 32 0.410 -6.458 6.205 1.00 0.00 C ATOM 501 CD2 LEU A 32 0.430 -5.991 8.643 1.00 0.00 C ATOM 0 H LEU A 32 -3.022 -7.425 7.675 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.067 -5.347 9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.134 -5.731 6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.241 -4.458 7.139 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.839 -7.424 7.690 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.250 -7.138 6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.196 -6.799 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.785 -5.455 5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.256 -6.692 8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.826 -4.995 8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.169 -5.971 9.554 1.00 0.00 H new ATOM 513 N THR A 33 -4.514 -4.426 7.295 1.00 0.00 N ATOM 514 CA THR A 33 -5.583 -3.446 7.167 1.00 0.00 C ATOM 515 C THR A 33 -6.459 -3.407 8.411 1.00 0.00 C ATOM 516 O THR A 33 -6.819 -2.330 8.877 1.00 0.00 O ATOM 517 CB THR A 33 -6.444 -3.797 5.960 1.00 0.00 C ATOM 518 OG1 THR A 33 -6.910 -5.124 6.045 1.00 0.00 O ATOM 519 CG2 THR A 33 -5.650 -3.660 4.671 1.00 0.00 C ATOM 0 H THR A 33 -4.484 -5.118 6.546 1.00 0.00 H new ATOM 0 HA THR A 33 -5.128 -2.464 7.040 1.00 0.00 H new ATOM 0 HB THR A 33 -7.286 -3.105 5.955 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.189 -5.740 5.799 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.286 -3.916 3.823 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.301 -2.633 4.566 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.793 -4.333 4.698 1.00 0.00 H new ATOM 527 N THR A 34 -6.805 -4.574 8.955 1.00 0.00 N ATOM 528 CA THR A 34 -7.644 -4.661 10.133 1.00 0.00 C ATOM 529 C THR A 34 -7.059 -3.853 11.285 1.00 0.00 C ATOM 530 O THR A 34 -7.743 -2.985 11.817 1.00 0.00 O ATOM 531 CB THR A 34 -7.807 -6.133 10.520 1.00 0.00 C ATOM 532 OG1 THR A 34 -8.752 -6.746 9.670 1.00 0.00 O ATOM 533 CG2 THR A 34 -8.288 -6.303 11.952 1.00 0.00 C ATOM 0 H THR A 34 -6.509 -5.478 8.587 1.00 0.00 H new ATOM 0 HA THR A 34 -8.623 -4.237 9.909 1.00 0.00 H new ATOM 0 HB THR A 34 -6.825 -6.597 10.423 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.289 -7.172 8.919 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.388 -7.364 12.179 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.567 -5.853 12.634 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.255 -5.814 12.072 1.00 0.00 H new ATOM 541 N TYR A 35 -5.814 -4.118 11.682 1.00 0.00 N ATOM 542 CA TYR A 35 -5.272 -3.479 12.871 1.00 0.00 C ATOM 543 C TYR A 35 -4.809 -2.042 12.625 1.00 0.00 C ATOM 544 O TYR A 35 -4.664 -1.291 13.588 1.00 0.00 O ATOM 545 CB TYR A 35 -4.232 -4.393 13.513 1.00 0.00 C ATOM 546 CG TYR A 35 -4.911 -5.592 14.136 1.00 0.00 C ATOM 547 CD1 TYR A 35 -5.630 -5.432 15.329 1.00 0.00 C ATOM 548 CD2 TYR A 35 -4.837 -6.853 13.526 1.00 0.00 C ATOM 549 CE1 TYR A 35 -6.318 -6.519 15.889 1.00 0.00 C ATOM 550 CE2 TYR A 35 -5.527 -7.944 14.078 1.00 0.00 C ATOM 551 CZ TYR A 35 -6.276 -7.777 15.259 1.00 0.00 C ATOM 552 OH TYR A 35 -6.954 -8.832 15.791 1.00 0.00 O ATOM 0 H TYR A 35 -5.177 -4.757 11.207 1.00 0.00 H new ATOM 0 HA TYR A 35 -6.072 -3.350 13.600 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.512 -4.721 12.763 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.674 -3.845 14.273 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.654 -4.469 15.818 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.248 -6.985 12.630 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.879 -6.391 16.803 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.483 -8.910 13.598 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.818 -9.624 15.230 1.00 0.00 H new ATOM 562 N ALA A 36 -4.579 -1.640 11.371 1.00 0.00 N ATOM 563 CA ALA A 36 -4.407 -0.229 11.069 1.00 0.00 C ATOM 564 C ALA A 36 -5.744 0.490 11.253 1.00 0.00 C ATOM 565 O ALA A 36 -5.845 1.453 12.011 1.00 0.00 O ATOM 566 CB ALA A 36 -3.889 -0.076 9.640 1.00 0.00 C ATOM 0 H ALA A 36 -4.510 -2.264 10.567 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.679 0.218 11.746 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.759 0.982 9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.932 -0.588 9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.606 -0.512 8.944 1.00 0.00 H new ATOM 572 N LEU A 37 -6.773 0.013 10.549 1.00 0.00 N ATOM 573 CA LEU A 37 -8.091 0.633 10.514 1.00 0.00 C ATOM 574 C LEU A 37 -8.881 0.442 11.812 1.00 0.00 C ATOM 575 O LEU A 37 -9.880 1.127 12.025 1.00 0.00 O ATOM 576 CB LEU A 37 -8.865 0.049 9.325 1.00 0.00 C ATOM 577 CG LEU A 37 -8.128 0.277 7.997 1.00 0.00 C ATOM 578 CD1 LEU A 37 -8.783 -0.561 6.903 1.00 0.00 C ATOM 579 CD2 LEU A 37 -8.173 1.749 7.587 1.00 0.00 C ATOM 0 H LEU A 37 -6.708 -0.830 9.979 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.957 1.709 10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.015 -1.020 9.479 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.853 0.506 9.275 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.087 -0.017 8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.261 -0.400 5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.730 -1.616 7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.827 -0.266 6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.643 1.880 6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.210 2.062 7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.697 2.356 8.357 1.00 0.00 H new ATOM 591 N ASP A 38 -8.452 -0.477 12.684 1.00 0.00 N ATOM 592 CA ASP A 38 -9.141 -0.766 13.939 1.00 0.00 C ATOM 593 C ASP A 38 -9.338 0.474 14.815 1.00 0.00 C ATOM 594 O ASP A 38 -10.314 0.537 15.558 1.00 0.00 O ATOM 595 CB ASP A 38 -8.351 -1.824 14.715 1.00 0.00 C ATOM 596 CG ASP A 38 -9.032 -2.171 16.040 1.00 0.00 C ATOM 597 OD1 ASP A 38 -10.098 -2.825 15.987 1.00 0.00 O ATOM 598 OD2 ASP A 38 -8.477 -1.780 17.092 1.00 0.00 O ATOM 0 H ASP A 38 -7.615 -1.041 12.536 1.00 0.00 H new ATOM 0 HA ASP A 38 -10.135 -1.133 13.685 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.253 -2.724 14.108 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.343 -1.458 14.908 1.00 0.00 H new ATOM 603 N HIS A 39 -8.432 1.460 14.744 1.00 0.00 N ATOM 604 CA HIS A 39 -8.561 2.641 15.588 1.00 0.00 C ATOM 605 C HIS A 39 -7.921 3.901 15.005 1.00 0.00 C ATOM 606 O HIS A 39 -8.289 4.999 15.417 1.00 0.00 O ATOM 607 CB HIS A 39 -7.944 2.323 16.952 1.00 0.00 C ATOM 608 CG HIS A 39 -8.193 3.379 17.994 1.00 0.00 C ATOM 609 ND1 HIS A 39 -7.229 3.890 18.870 1.00 0.00 N ATOM 610 CD2 HIS A 39 -9.390 3.988 18.242 1.00 0.00 C ATOM 611 CE1 HIS A 39 -7.873 4.795 19.622 1.00 0.00 C ATOM 612 NE2 HIS A 39 -9.171 4.873 19.270 1.00 0.00 N ATOM 0 H HIS A 39 -7.622 1.459 14.124 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.624 2.868 15.669 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.344 1.373 17.308 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.869 2.191 16.832 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.324 3.809 17.731 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -7.413 5.382 20.404 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -9.870 5.483 19.693 1.00 0.00 H new ATOM 620 N ILE A 40 -6.981 3.763 14.064 1.00 0.00 N ATOM 621 CA ILE A 40 -6.271 4.884 13.467 1.00 0.00 C ATOM 622 C ILE A 40 -5.802 5.875 14.537 1.00 0.00 C ATOM 623 O ILE A 40 -6.354 6.963 14.701 1.00 0.00 O ATOM 624 CB ILE A 40 -7.101 5.521 12.346 1.00 0.00 C ATOM 625 CG1 ILE A 40 -7.410 4.481 11.259 1.00 0.00 C ATOM 626 CG2 ILE A 40 -6.337 6.686 11.709 1.00 0.00 C ATOM 627 CD1 ILE A 40 -6.157 4.020 10.504 1.00 0.00 C ATOM 0 H ILE A 40 -6.693 2.856 13.696 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.361 4.517 12.992 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.030 5.889 12.781 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.892 3.617 11.716 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.121 4.904 10.549 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.941 7.126 10.915 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.127 7.441 12.467 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.399 6.321 11.291 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.437 3.286 9.749 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.688 4.877 10.021 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.455 3.569 11.205 1.00 0.00 H new ATOM 639 N ASP A 41 -4.759 5.470 15.268 1.00 0.00 N ATOM 640 CA ASP A 41 -4.132 6.269 16.312 1.00 0.00 C ATOM 641 C ASP A 41 -2.607 6.210 16.167 1.00 0.00 C ATOM 642 O ASP A 41 -1.865 6.709 17.014 1.00 0.00 O ATOM 643 CB ASP A 41 -4.590 5.752 17.677 1.00 0.00 C ATOM 644 CG ASP A 41 -4.106 6.638 18.823 1.00 0.00 C ATOM 645 OD1 ASP A 41 -4.384 7.856 18.768 1.00 0.00 O ATOM 646 OD2 ASP A 41 -3.461 6.090 19.745 1.00 0.00 O ATOM 0 H ASP A 41 -4.322 4.557 15.144 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.431 7.313 16.221 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.679 5.698 17.696 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.218 4.738 17.823 1.00 0.00 H new ATOM 651 N ILE A 42 -2.147 5.589 15.079 1.00 0.00 N ATOM 652 CA ILE A 42 -0.743 5.407 14.758 1.00 0.00 C ATOM 653 C ILE A 42 -0.571 5.561 13.250 1.00 0.00 C ATOM 654 O ILE A 42 -0.987 4.700 12.481 1.00 0.00 O ATOM 655 CB ILE A 42 -0.262 4.023 15.220 1.00 0.00 C ATOM 656 CG1 ILE A 42 -1.364 2.958 15.147 1.00 0.00 C ATOM 657 CG2 ILE A 42 0.312 4.111 16.633 1.00 0.00 C ATOM 658 CD1 ILE A 42 -0.829 1.575 15.520 1.00 0.00 C ATOM 0 H ILE A 42 -2.769 5.188 14.377 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.143 6.155 15.276 1.00 0.00 H new ATOM 0 HB ILE A 42 0.521 3.707 14.531 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.178 3.228 15.819 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.779 2.930 14.139 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.650 3.125 16.951 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.154 4.803 16.641 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.458 4.468 17.317 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.635 0.844 15.458 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.032 1.295 14.831 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.438 1.598 16.537 1.00 0.00 H new ATOM 670 N GLU A 43 0.045 6.667 12.826 1.00 0.00 N ATOM 671 CA GLU A 43 0.257 6.973 11.418 1.00 0.00 C ATOM 672 C GLU A 43 1.689 6.692 10.956 1.00 0.00 C ATOM 673 O GLU A 43 1.952 5.635 10.390 1.00 0.00 O ATOM 674 CB GLU A 43 -0.207 8.403 11.105 1.00 0.00 C ATOM 675 CG GLU A 43 -0.182 9.374 12.290 1.00 0.00 C ATOM 676 CD GLU A 43 1.187 9.506 12.942 1.00 0.00 C ATOM 677 OE1 GLU A 43 2.018 10.251 12.379 1.00 0.00 O ATOM 678 OE2 GLU A 43 1.386 8.860 13.994 1.00 0.00 O ATOM 0 H GLU A 43 0.412 7.378 13.459 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.361 6.292 10.834 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.423 8.807 10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.223 8.360 10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.510 10.357 11.951 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.901 9.039 13.038 1.00 0.00 H new ATOM 685 N SER A 44 2.616 7.626 11.188 1.00 0.00 N ATOM 686 CA SER A 44 3.991 7.533 10.708 1.00 0.00 C ATOM 687 C SER A 44 4.685 6.250 11.162 1.00 0.00 C ATOM 688 O SER A 44 5.629 5.800 10.516 1.00 0.00 O ATOM 689 CB SER A 44 4.776 8.749 11.199 1.00 0.00 C ATOM 690 OG SER A 44 4.856 8.729 12.608 1.00 0.00 O ATOM 0 H SER A 44 2.427 8.475 11.720 1.00 0.00 H new ATOM 0 HA SER A 44 3.961 7.511 9.619 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.777 8.745 10.769 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.290 9.666 10.866 1.00 0.00 H new ATOM 0 HG SER A 44 4.056 9.149 12.987 1.00 0.00 H new ATOM 696 N LYS A 45 4.229 5.656 12.266 1.00 0.00 N ATOM 697 CA LYS A 45 4.773 4.407 12.775 1.00 0.00 C ATOM 698 C LYS A 45 4.372 3.258 11.850 1.00 0.00 C ATOM 699 O LYS A 45 5.235 2.543 11.344 1.00 0.00 O ATOM 700 CB LYS A 45 4.320 4.185 14.223 1.00 0.00 C ATOM 701 CG LYS A 45 2.891 4.665 14.478 1.00 0.00 C ATOM 702 CD LYS A 45 2.809 6.145 14.866 1.00 0.00 C ATOM 703 CE LYS A 45 3.291 6.341 16.299 1.00 0.00 C ATOM 704 NZ LYS A 45 3.234 7.766 16.677 1.00 0.00 N ATOM 0 H LYS A 45 3.468 6.034 12.831 1.00 0.00 H new ATOM 0 HA LYS A 45 5.862 4.451 12.788 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.390 3.124 14.462 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.000 4.708 14.896 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.294 4.498 13.582 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.449 4.063 15.272 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.417 6.741 14.185 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.782 6.498 14.768 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.674 5.754 16.979 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.312 5.974 16.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.566 7.879 17.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.842 8.319 16.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.254 8.106 16.602 1.00 0.00 H new ATOM 718 N ILE A 46 3.067 3.076 11.623 1.00 0.00 N ATOM 719 CA ILE A 46 2.550 2.081 10.689 1.00 0.00 C ATOM 720 C ILE A 46 3.120 2.312 9.288 1.00 0.00 C ATOM 721 O ILE A 46 3.466 1.360 8.589 1.00 0.00 O ATOM 722 CB ILE A 46 1.012 2.149 10.705 1.00 0.00 C ATOM 723 CG1 ILE A 46 0.518 1.324 11.898 1.00 0.00 C ATOM 724 CG2 ILE A 46 0.389 1.632 9.407 1.00 0.00 C ATOM 725 CD1 ILE A 46 -1.006 1.232 11.970 1.00 0.00 C ATOM 0 H ILE A 46 2.339 3.620 12.087 1.00 0.00 H new ATOM 0 HA ILE A 46 2.860 1.081 10.991 1.00 0.00 H new ATOM 0 HB ILE A 46 0.707 3.191 10.796 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.935 0.319 11.835 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.894 1.768 12.820 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.697 1.702 9.471 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.742 2.233 8.569 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.677 0.592 9.254 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.294 0.635 12.836 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.427 2.233 12.063 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.385 0.762 11.063 1.00 0.00 H new ATOM 737 N ILE A 47 3.219 3.573 8.870 1.00 0.00 N ATOM 738 CA ILE A 47 3.716 3.898 7.543 1.00 0.00 C ATOM 739 C ILE A 47 5.206 3.605 7.418 1.00 0.00 C ATOM 740 O ILE A 47 5.607 2.917 6.481 1.00 0.00 O ATOM 741 CB ILE A 47 3.369 5.348 7.208 1.00 0.00 C ATOM 742 CG1 ILE A 47 1.865 5.509 6.982 1.00 0.00 C ATOM 743 CG2 ILE A 47 4.126 5.793 5.957 1.00 0.00 C ATOM 744 CD1 ILE A 47 1.271 4.501 5.995 1.00 0.00 C ATOM 0 H ILE A 47 2.961 4.383 9.434 1.00 0.00 H new ATOM 0 HA ILE A 47 3.225 3.258 6.809 1.00 0.00 H new ATOM 0 HB ILE A 47 3.664 5.972 8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.352 5.410 7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.669 6.517 6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.872 6.828 5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.199 5.713 6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.848 5.156 5.118 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.201 4.682 5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.755 4.613 5.025 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.433 3.489 6.367 1.00 0.00 H new ATOM 756 N SER A 48 6.039 4.105 8.333 1.00 0.00 N ATOM 757 CA SER A 48 7.458 3.806 8.264 1.00 0.00 C ATOM 758 C SER A 48 7.681 2.301 8.377 1.00 0.00 C ATOM 759 O SER A 48 8.675 1.787 7.866 1.00 0.00 O ATOM 760 CB SER A 48 8.215 4.542 9.367 1.00 0.00 C ATOM 761 OG SER A 48 8.171 5.936 9.128 1.00 0.00 O ATOM 0 H SER A 48 5.759 4.704 9.110 1.00 0.00 H new ATOM 0 HA SER A 48 7.840 4.146 7.302 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.774 4.316 10.338 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.250 4.202 9.400 1.00 0.00 H new ATOM 0 HG SER A 48 7.351 6.308 9.514 1.00 0.00 H new ATOM 767 N LEU A 49 6.764 1.589 9.043 1.00 0.00 N ATOM 768 CA LEU A 49 6.866 0.148 9.174 1.00 0.00 C ATOM 769 C LEU A 49 6.608 -0.564 7.841 1.00 0.00 C ATOM 770 O LEU A 49 7.360 -1.475 7.503 1.00 0.00 O ATOM 771 CB LEU A 49 5.920 -0.318 10.287 1.00 0.00 C ATOM 772 CG LEU A 49 5.966 -1.834 10.494 1.00 0.00 C ATOM 773 CD1 LEU A 49 7.378 -2.326 10.810 1.00 0.00 C ATOM 774 CD2 LEU A 49 5.057 -2.204 11.665 1.00 0.00 C ATOM 0 H LEU A 49 5.946 1.996 9.496 1.00 0.00 H new ATOM 0 HA LEU A 49 7.885 -0.120 9.453 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.185 0.182 11.219 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.901 -0.018 10.043 1.00 0.00 H new ATOM 0 HG LEU A 49 5.636 -2.305 9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.364 -3.407 10.949 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.044 -2.075 9.984 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.735 -1.847 11.722 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.084 -3.283 11.820 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.402 -1.699 12.567 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.035 -1.894 11.445 1.00 0.00 H new ATOM 786 N ILE A 50 5.574 -0.183 7.076 1.00 0.00 N ATOM 787 CA ILE A 50 5.338 -0.849 5.795 1.00 0.00 C ATOM 788 C ILE A 50 6.348 -0.398 4.735 1.00 0.00 C ATOM 789 O ILE A 50 6.736 -1.190 3.875 1.00 0.00 O ATOM 790 CB ILE A 50 3.894 -0.674 5.307 1.00 0.00 C ATOM 791 CG1 ILE A 50 3.585 0.786 4.954 1.00 0.00 C ATOM 792 CG2 ILE A 50 2.930 -1.228 6.358 1.00 0.00 C ATOM 793 CD1 ILE A 50 2.155 0.965 4.458 1.00 0.00 C ATOM 0 H ILE A 50 4.912 0.556 7.313 1.00 0.00 H new ATOM 0 HA ILE A 50 5.487 -1.916 5.961 1.00 0.00 H new ATOM 0 HB ILE A 50 3.764 -1.240 4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.745 1.412 5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.280 1.128 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.904 -1.104 6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.134 -2.287 6.517 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.064 -0.688 7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.981 2.014 4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.001 0.360 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.458 0.649 5.234 1.00 0.00 H new ATOM 805 N ILE A 51 6.780 0.866 4.780 1.00 0.00 N ATOM 806 CA ILE A 51 7.760 1.359 3.822 1.00 0.00 C ATOM 807 C ILE A 51 9.080 0.631 4.045 1.00 0.00 C ATOM 808 O ILE A 51 9.665 0.078 3.115 1.00 0.00 O ATOM 809 CB ILE A 51 7.968 2.865 3.995 1.00 0.00 C ATOM 810 CG1 ILE A 51 6.685 3.632 3.654 1.00 0.00 C ATOM 811 CG2 ILE A 51 9.114 3.336 3.092 1.00 0.00 C ATOM 812 CD1 ILE A 51 6.819 5.080 4.118 1.00 0.00 C ATOM 0 H ILE A 51 6.468 1.556 5.463 1.00 0.00 H new ATOM 0 HA ILE A 51 7.397 1.174 2.811 1.00 0.00 H new ATOM 0 HB ILE A 51 8.222 3.064 5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 51 6.503 3.599 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.828 3.162 4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.259 4.409 3.218 1.00 0.00 H new ATOM 0 HG22 ILE A 51 10.030 2.812 3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.869 3.123 2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.907 5.626 3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.980 5.103 5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.666 5.547 3.614 1.00 0.00 H new ATOM 824 N ASP A 52 9.559 0.630 5.292 1.00 0.00 N ATOM 825 CA ASP A 52 10.786 -0.065 5.635 1.00 0.00 C ATOM 826 C ASP A 52 10.631 -1.573 5.456 1.00 0.00 C ATOM 827 O ASP A 52 11.603 -2.267 5.165 1.00 0.00 O ATOM 828 CB ASP A 52 11.162 0.270 7.068 1.00 0.00 C ATOM 829 CG ASP A 52 12.558 -0.243 7.415 1.00 0.00 C ATOM 830 OD1 ASP A 52 13.528 0.237 6.784 1.00 0.00 O ATOM 831 OD2 ASP A 52 12.647 -1.115 8.307 1.00 0.00 O ATOM 0 H ASP A 52 9.110 1.105 6.075 1.00 0.00 H new ATOM 0 HA ASP A 52 11.581 0.263 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.124 1.350 7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.432 -0.169 7.749 1.00 0.00 H new ATOM 836 N TYR A 53 9.416 -2.099 5.626 1.00 0.00 N ATOM 837 CA TYR A 53 9.181 -3.497 5.329 1.00 0.00 C ATOM 838 C TYR A 53 9.521 -3.745 3.863 1.00 0.00 C ATOM 839 O TYR A 53 10.145 -4.753 3.542 1.00 0.00 O ATOM 840 CB TYR A 53 7.730 -3.870 5.626 1.00 0.00 C ATOM 841 CG TYR A 53 7.234 -5.084 4.873 1.00 0.00 C ATOM 842 CD1 TYR A 53 7.486 -6.373 5.365 1.00 0.00 C ATOM 843 CD2 TYR A 53 6.522 -4.914 3.678 1.00 0.00 C ATOM 844 CE1 TYR A 53 7.029 -7.493 4.658 1.00 0.00 C ATOM 845 CE2 TYR A 53 6.062 -6.031 2.964 1.00 0.00 C ATOM 846 CZ TYR A 53 6.322 -7.328 3.449 1.00 0.00 C ATOM 847 OH TYR A 53 5.889 -8.418 2.750 1.00 0.00 O ATOM 0 H TYR A 53 8.601 -1.584 5.961 1.00 0.00 H new ATOM 0 HA TYR A 53 9.814 -4.123 5.958 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.625 -4.052 6.696 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.092 -3.020 5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.032 -6.502 6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.327 -3.919 3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.219 -8.485 5.040 1.00 0.00 H new ATOM 0 HE2 TYR A 53 5.510 -5.897 2.045 1.00 0.00 H new ATOM 0 HH TYR A 53 5.189 -8.877 3.260 1.00 0.00 H new ATOM 857 N SER A 54 9.115 -2.830 2.975 1.00 0.00 N ATOM 858 CA SER A 54 9.487 -2.922 1.569 1.00 0.00 C ATOM 859 C SER A 54 11.009 -2.925 1.450 1.00 0.00 C ATOM 860 O SER A 54 11.586 -3.772 0.772 1.00 0.00 O ATOM 861 CB SER A 54 8.923 -1.733 0.785 1.00 0.00 C ATOM 862 OG SER A 54 7.580 -1.485 1.136 1.00 0.00 O ATOM 0 H SER A 54 8.533 -2.025 3.208 1.00 0.00 H new ATOM 0 HA SER A 54 9.076 -3.843 1.156 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.524 -0.845 0.983 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.992 -1.933 -0.284 1.00 0.00 H new ATOM 0 HG SER A 54 7.549 -0.968 1.968 1.00 0.00 H new ATOM 868 N ARG A 55 11.654 -1.965 2.122 1.00 0.00 N ATOM 869 CA ARG A 55 13.103 -1.791 2.099 1.00 0.00 C ATOM 870 C ARG A 55 13.851 -3.054 2.531 1.00 0.00 C ATOM 871 O ARG A 55 14.964 -3.294 2.066 1.00 0.00 O ATOM 872 CB ARG A 55 13.429 -0.609 3.018 1.00 0.00 C ATOM 873 CG ARG A 55 14.923 -0.365 3.220 1.00 0.00 C ATOM 874 CD ARG A 55 15.639 -0.136 1.889 1.00 0.00 C ATOM 875 NE ARG A 55 17.074 0.091 2.093 1.00 0.00 N ATOM 876 CZ ARG A 55 17.977 -0.887 2.230 1.00 0.00 C ATOM 877 NH1 ARG A 55 17.610 -2.165 2.197 1.00 0.00 N ATOM 878 NH2 ARG A 55 19.261 -0.587 2.402 1.00 0.00 N ATOM 0 H ARG A 55 11.173 -1.279 2.704 1.00 0.00 H new ATOM 0 HA ARG A 55 13.434 -1.594 1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 55 12.978 0.293 2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 55 12.966 -0.781 3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 55 15.067 0.501 3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 55 15.366 -1.220 3.730 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.493 -1.000 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 55 15.201 0.722 1.380 1.00 0.00 H new ATOM 0 HE ARG A 55 17.404 1.055 2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 55 16.629 -2.411 2.066 1.00 0.00 H new ATOM 0 HH12 ARG A 55 18.310 -2.899 2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 55 19.558 0.389 2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 55 19.949 -1.332 2.506 1.00 0.00 H new ATOM 892 N LEU A 56 13.255 -3.862 3.415 1.00 0.00 N ATOM 893 CA LEU A 56 13.879 -5.081 3.914 1.00 0.00 C ATOM 894 C LEU A 56 13.559 -6.329 3.086 1.00 0.00 C ATOM 895 O LEU A 56 14.230 -7.348 3.242 1.00 0.00 O ATOM 896 CB LEU A 56 13.425 -5.302 5.357 1.00 0.00 C ATOM 897 CG LEU A 56 14.026 -4.285 6.333 1.00 0.00 C ATOM 898 CD1 LEU A 56 13.432 -4.520 7.719 1.00 0.00 C ATOM 899 CD2 LEU A 56 15.545 -4.431 6.428 1.00 0.00 C ATOM 0 H LEU A 56 12.328 -3.685 3.801 1.00 0.00 H new ATOM 0 HA LEU A 56 14.957 -4.939 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.338 -5.244 5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.704 -6.308 5.671 1.00 0.00 H new ATOM 0 HG LEU A 56 13.794 -3.285 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.853 -3.801 8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.350 -4.395 7.677 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.668 -5.532 8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.938 -3.694 7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.793 -5.433 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.988 -4.270 5.445 1.00 0.00 H new ATOM 911 N CYS A 57 12.551 -6.267 2.214 1.00 0.00 N ATOM 912 CA CYS A 57 12.046 -7.440 1.509 1.00 0.00 C ATOM 913 C CYS A 57 12.620 -7.611 0.100 1.00 0.00 C ATOM 914 O CYS A 57 13.104 -6.650 -0.498 1.00 0.00 O ATOM 915 CB CYS A 57 10.520 -7.373 1.473 1.00 0.00 C ATOM 916 SG CYS A 57 9.880 -7.835 3.102 1.00 0.00 S ATOM 0 H CYS A 57 12.064 -5.402 1.979 1.00 0.00 H new ATOM 0 HA CYS A 57 12.378 -8.320 2.060 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.192 -6.367 1.210 1.00 0.00 H new ATOM 0 HB3 CYS A 57 10.130 -8.046 0.709 1.00 0.00 H new ATOM 0 HG CYS A 57 8.626 -7.502 3.186 1.00 0.00 H new ATOM 922 N PRO A 58 12.558 -8.847 -0.432 1.00 0.00 N ATOM 923 CA PRO A 58 12.901 -9.201 -1.802 1.00 0.00 C ATOM 924 C PRO A 58 11.772 -8.747 -2.734 1.00 0.00 C ATOM 925 O PRO A 58 11.233 -7.663 -2.543 1.00 0.00 O ATOM 926 CB PRO A 58 13.080 -10.720 -1.764 1.00 0.00 C ATOM 927 CG PRO A 58 12.046 -11.152 -0.731 1.00 0.00 C ATOM 928 CD PRO A 58 12.132 -10.029 0.299 1.00 0.00 C ATOM 0 HA PRO A 58 13.804 -8.722 -2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.895 -11.174 -2.737 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.091 -11.002 -1.468 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.048 -11.233 -1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.285 -12.123 -0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.167 -9.865 0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.842 -10.277 1.088 1.00 0.00 H new ATOM 936 N ASP A 59 11.400 -9.547 -3.740 1.00 0.00 N ATOM 937 CA ASP A 59 10.316 -9.212 -4.663 1.00 0.00 C ATOM 938 C ASP A 59 8.995 -8.934 -3.928 1.00 0.00 C ATOM 939 O ASP A 59 8.088 -8.301 -4.478 1.00 0.00 O ATOM 940 CB ASP A 59 10.149 -10.371 -5.646 1.00 0.00 C ATOM 941 CG ASP A 59 9.210 -9.997 -6.787 1.00 0.00 C ATOM 942 OD1 ASP A 59 9.601 -9.107 -7.573 1.00 0.00 O ATOM 943 OD2 ASP A 59 8.117 -10.598 -6.864 1.00 0.00 O ATOM 0 H ASP A 59 11.844 -10.444 -3.935 1.00 0.00 H new ATOM 0 HA ASP A 59 10.575 -8.295 -5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.122 -10.652 -6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.758 -11.243 -5.121 1.00 0.00 H new ATOM 948 N SER A 60 8.886 -9.408 -2.681 1.00 0.00 N ATOM 949 CA SER A 60 7.750 -9.110 -1.822 1.00 0.00 C ATOM 950 C SER A 60 7.635 -7.600 -1.614 1.00 0.00 C ATOM 951 O SER A 60 6.544 -7.108 -1.348 1.00 0.00 O ATOM 952 CB SER A 60 7.915 -9.821 -0.482 1.00 0.00 C ATOM 953 OG SER A 60 8.027 -11.214 -0.685 1.00 0.00 O ATOM 0 H SER A 60 9.586 -10.008 -2.246 1.00 0.00 H new ATOM 0 HA SER A 60 6.836 -9.466 -2.298 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.802 -9.447 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.061 -9.606 0.161 1.00 0.00 H new ATOM 0 HG SER A 60 8.134 -11.663 0.179 1.00 0.00 H new ATOM 959 N HIS A 61 8.753 -6.870 -1.735 1.00 0.00 N ATOM 960 CA HIS A 61 8.753 -5.415 -1.718 1.00 0.00 C ATOM 961 C HIS A 61 7.795 -4.946 -2.802 1.00 0.00 C ATOM 962 O HIS A 61 6.772 -4.332 -2.508 1.00 0.00 O ATOM 963 CB HIS A 61 10.179 -4.915 -1.994 1.00 0.00 C ATOM 964 CG HIS A 61 10.324 -3.432 -2.240 1.00 0.00 C ATOM 965 ND1 HIS A 61 9.368 -2.595 -2.823 1.00 0.00 N ATOM 966 CD2 HIS A 61 11.437 -2.699 -1.939 1.00 0.00 C ATOM 967 CE1 HIS A 61 9.936 -1.378 -2.869 1.00 0.00 C ATOM 968 NE2 HIS A 61 11.173 -1.410 -2.340 1.00 0.00 N ATOM 0 H HIS A 61 9.680 -7.280 -1.847 1.00 0.00 H new ATOM 0 HA HIS A 61 8.434 -5.024 -0.752 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.808 -5.186 -1.146 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.568 -5.447 -2.862 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.344 -3.060 -1.478 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.464 -0.495 -3.275 1.00 0.00 H new ATOM 0 HE2 HIS A 61 11.806 -0.615 -2.252 1.00 0.00 H new ATOM 976 N LYS A 62 8.144 -5.249 -4.055 1.00 0.00 N ATOM 977 CA LYS A 62 7.354 -4.866 -5.209 1.00 0.00 C ATOM 978 C LYS A 62 5.901 -5.273 -5.000 1.00 0.00 C ATOM 979 O LYS A 62 5.052 -4.427 -4.715 1.00 0.00 O ATOM 980 CB LYS A 62 7.962 -5.516 -6.456 1.00 0.00 C ATOM 981 CG LYS A 62 7.163 -5.226 -7.733 1.00 0.00 C ATOM 982 CD LYS A 62 7.481 -6.292 -8.784 1.00 0.00 C ATOM 983 CE LYS A 62 6.851 -7.615 -8.348 1.00 0.00 C ATOM 984 NZ LYS A 62 7.377 -8.756 -9.124 1.00 0.00 N ATOM 0 H LYS A 62 8.989 -5.770 -4.290 1.00 0.00 H new ATOM 0 HA LYS A 62 7.368 -3.784 -5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.984 -5.158 -6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.018 -6.594 -6.306 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.095 -5.222 -7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.414 -4.236 -8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.092 -5.991 -9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.560 -6.405 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.044 -7.777 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.769 -7.560 -8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.770 -9.587 -8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.387 -8.513 -10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.345 -8.973 -8.810 1.00 0.00 H new ATOM 998 N LEU A 63 5.602 -6.566 -5.139 1.00 0.00 N ATOM 999 CA LEU A 63 4.208 -6.966 -5.196 1.00 0.00 C ATOM 1000 C LEU A 63 3.545 -6.896 -3.821 1.00 0.00 C ATOM 1001 O LEU A 63 2.411 -6.423 -3.701 1.00 0.00 O ATOM 1002 CB LEU A 63 4.114 -8.357 -5.825 1.00 0.00 C ATOM 1003 CG LEU A 63 2.666 -8.764 -6.113 1.00 0.00 C ATOM 1004 CD1 LEU A 63 1.999 -7.803 -7.097 1.00 0.00 C ATOM 1005 CD2 LEU A 63 2.668 -10.161 -6.727 1.00 0.00 C ATOM 0 H LEU A 63 6.282 -7.323 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 63 3.655 -6.267 -5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.686 -8.374 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.569 -9.088 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 63 2.109 -8.741 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.973 -8.122 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.997 -6.797 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.551 -7.804 -8.037 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.643 -10.467 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.242 -10.150 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.120 -10.865 -6.028 1.00 0.00 H new ATOM 1017 N GLY A 64 4.241 -7.365 -2.783 1.00 0.00 N ATOM 1018 CA GLY A 64 3.659 -7.460 -1.460 1.00 0.00 C ATOM 1019 C GLY A 64 3.437 -6.081 -0.865 1.00 0.00 C ATOM 1020 O GLY A 64 2.352 -5.812 -0.358 1.00 0.00 O ATOM 0 H GLY A 64 5.208 -7.683 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.710 -7.994 -1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.315 -8.039 -0.810 1.00 0.00 H new ATOM 1024 N SER A 65 4.442 -5.198 -0.911 1.00 0.00 N ATOM 1025 CA SER A 65 4.245 -3.895 -0.311 1.00 0.00 C ATOM 1026 C SER A 65 3.272 -3.083 -1.141 1.00 0.00 C ATOM 1027 O SER A 65 2.458 -2.376 -0.561 1.00 0.00 O ATOM 1028 CB SER A 65 5.551 -3.137 -0.127 1.00 0.00 C ATOM 1029 OG SER A 65 6.491 -3.939 0.555 1.00 0.00 O ATOM 0 H SER A 65 5.354 -5.359 -1.338 1.00 0.00 H new ATOM 0 HA SER A 65 3.828 -4.054 0.684 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.949 -2.844 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.371 -2.220 0.433 1.00 0.00 H new ATOM 0 HG SER A 65 6.137 -4.180 1.437 1.00 0.00 H new ATOM 1035 N LEU A 66 3.317 -3.157 -2.479 1.00 0.00 N ATOM 1036 CA LEU A 66 2.331 -2.411 -3.244 1.00 0.00 C ATOM 1037 C LEU A 66 0.912 -2.836 -2.863 1.00 0.00 C ATOM 1038 O LEU A 66 0.047 -1.974 -2.727 1.00 0.00 O ATOM 1039 CB LEU A 66 2.579 -2.569 -4.742 1.00 0.00 C ATOM 1040 CG LEU A 66 3.806 -1.765 -5.193 1.00 0.00 C ATOM 1041 CD1 LEU A 66 4.059 -2.011 -6.677 1.00 0.00 C ATOM 1042 CD2 LEU A 66 3.599 -0.264 -4.997 1.00 0.00 C ATOM 0 H LEU A 66 3.990 -3.697 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 66 2.434 -1.354 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.725 -3.623 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.701 -2.237 -5.295 1.00 0.00 H new ATOM 0 HG LEU A 66 4.651 -2.092 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.930 -1.440 -6.997 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.240 -3.073 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.188 -1.696 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.489 0.272 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.740 0.064 -5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.421 -0.056 -3.942 1.00 0.00 H new ATOM 1054 N TYR A 67 0.642 -4.135 -2.686 1.00 0.00 N ATOM 1055 CA TYR A 67 -0.707 -4.550 -2.315 1.00 0.00 C ATOM 1056 C TYR A 67 -1.076 -4.113 -0.893 1.00 0.00 C ATOM 1057 O TYR A 67 -2.210 -3.696 -0.661 1.00 0.00 O ATOM 1058 CB TYR A 67 -0.876 -6.057 -2.522 1.00 0.00 C ATOM 1059 CG TYR A 67 -1.308 -6.421 -3.929 1.00 0.00 C ATOM 1060 CD1 TYR A 67 -0.653 -5.865 -5.037 1.00 0.00 C ATOM 1061 CD2 TYR A 67 -2.373 -7.313 -4.124 1.00 0.00 C ATOM 1062 CE1 TYR A 67 -1.087 -6.159 -6.337 1.00 0.00 C ATOM 1063 CE2 TYR A 67 -2.809 -7.615 -5.421 1.00 0.00 C ATOM 1064 CZ TYR A 67 -2.179 -7.028 -6.533 1.00 0.00 C ATOM 1065 OH TYR A 67 -2.621 -7.298 -7.794 1.00 0.00 O ATOM 0 H TYR A 67 1.318 -4.892 -2.790 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.410 -4.041 -2.975 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.067 -6.556 -2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.613 -6.434 -1.813 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.190 -5.207 -4.888 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.858 -7.768 -3.273 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.585 -5.720 -7.187 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.631 -8.300 -5.567 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.074 -6.809 -8.444 1.00 0.00 H new ATOM 1075 N ILE A 68 -0.144 -4.201 0.061 1.00 0.00 N ATOM 1076 CA ILE A 68 -0.395 -3.756 1.432 1.00 0.00 C ATOM 1077 C ILE A 68 -0.579 -2.236 1.495 1.00 0.00 C ATOM 1078 O ILE A 68 -1.463 -1.740 2.194 1.00 0.00 O ATOM 1079 CB ILE A 68 0.759 -4.225 2.330 1.00 0.00 C ATOM 1080 CG1 ILE A 68 0.774 -5.756 2.369 1.00 0.00 C ATOM 1081 CG2 ILE A 68 0.603 -3.665 3.744 1.00 0.00 C ATOM 1082 CD1 ILE A 68 2.102 -6.288 2.906 1.00 0.00 C ATOM 0 H ILE A 68 0.792 -4.577 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.324 -4.198 1.792 1.00 0.00 H new ATOM 0 HB ILE A 68 1.701 -3.859 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.043 -6.113 2.996 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.602 -6.149 1.367 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.430 -4.009 4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.606 -2.576 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.339 -4.011 4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.078 -7.378 2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.915 -5.951 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.261 -5.915 3.918 1.00 0.00 H new ATOM 1094 N ILE A 69 0.254 -1.493 0.761 1.00 0.00 N ATOM 1095 CA ILE A 69 0.182 -0.043 0.695 1.00 0.00 C ATOM 1096 C ILE A 69 -1.116 0.363 -0.005 1.00 0.00 C ATOM 1097 O ILE A 69 -1.663 1.425 0.286 1.00 0.00 O ATOM 1098 CB ILE A 69 1.412 0.482 -0.061 1.00 0.00 C ATOM 1099 CG1 ILE A 69 2.676 0.248 0.778 1.00 0.00 C ATOM 1100 CG2 ILE A 69 1.274 1.978 -0.358 1.00 0.00 C ATOM 1101 CD1 ILE A 69 3.942 0.373 -0.075 1.00 0.00 C ATOM 0 H ILE A 69 1.002 -1.891 0.193 1.00 0.00 H new ATOM 0 HA ILE A 69 0.180 0.389 1.696 1.00 0.00 H new ATOM 0 HB ILE A 69 1.487 -0.057 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.712 0.970 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.636 -0.743 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.157 2.326 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.388 2.147 -0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.178 2.528 0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.819 0.202 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.916 -0.366 -0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.993 1.373 -0.506 1.00 0.00 H new ATOM 1113 N ASP A 70 -1.619 -0.463 -0.923 1.00 0.00 N ATOM 1114 CA ASP A 70 -2.860 -0.184 -1.630 1.00 0.00 C ATOM 1115 C ASP A 70 -4.084 -0.456 -0.763 1.00 0.00 C ATOM 1116 O ASP A 70 -5.049 0.296 -0.843 1.00 0.00 O ATOM 1117 CB ASP A 70 -2.878 -0.999 -2.924 1.00 0.00 C ATOM 1118 CG ASP A 70 -3.961 -0.521 -3.878 1.00 0.00 C ATOM 1119 OD1 ASP A 70 -4.013 0.706 -4.109 1.00 0.00 O ATOM 1120 OD2 ASP A 70 -4.726 -1.385 -4.367 1.00 0.00 O ATOM 0 H ASP A 70 -1.176 -1.341 -1.194 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.905 0.877 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.906 -0.927 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.039 -2.051 -2.689 1.00 0.00 H new ATOM 1125 N SER A 71 -4.078 -1.504 0.066 1.00 0.00 N ATOM 1126 CA SER A 71 -5.217 -1.763 0.929 1.00 0.00 C ATOM 1127 C SER A 71 -5.295 -0.712 2.034 1.00 0.00 C ATOM 1128 O SER A 71 -6.340 -0.086 2.223 1.00 0.00 O ATOM 1129 CB SER A 71 -5.102 -3.174 1.504 1.00 0.00 C ATOM 1130 OG SER A 71 -3.874 -3.326 2.182 1.00 0.00 O ATOM 0 H SER A 71 -3.311 -2.170 0.152 1.00 0.00 H new ATOM 0 HA SER A 71 -6.139 -1.698 0.352 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.929 -3.364 2.188 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.176 -3.908 0.702 1.00 0.00 H new ATOM 0 HG SER A 71 -3.305 -3.955 1.691 1.00 0.00 H new ATOM 1136 N ILE A 72 -4.196 -0.509 2.769 1.00 0.00 N ATOM 1137 CA ILE A 72 -4.163 0.487 3.830 1.00 0.00 C ATOM 1138 C ILE A 72 -4.252 1.892 3.241 1.00 0.00 C ATOM 1139 O ILE A 72 -4.875 2.766 3.837 1.00 0.00 O ATOM 1140 CB ILE A 72 -2.894 0.307 4.672 1.00 0.00 C ATOM 1141 CG1 ILE A 72 -2.895 -1.105 5.272 1.00 0.00 C ATOM 1142 CG2 ILE A 72 -2.855 1.351 5.792 1.00 0.00 C ATOM 1143 CD1 ILE A 72 -1.686 -1.352 6.178 1.00 0.00 C ATOM 0 H ILE A 72 -3.324 -1.022 2.644 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.025 0.350 4.483 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.014 0.440 4.043 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.811 -1.254 5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.899 -1.840 4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.950 1.215 6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.858 2.351 5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.729 1.231 6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.732 -2.365 6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.769 -1.231 5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.695 -0.636 7.000 1.00 0.00 H new ATOM 1155 N GLY A 73 -3.635 2.119 2.077 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.632 3.427 1.441 1.00 0.00 C ATOM 1157 C GLY A 73 -5.021 3.820 0.952 1.00 0.00 C ATOM 1158 O GLY A 73 -5.457 4.942 1.190 1.00 0.00 O ATOM 0 H GLY A 73 -3.129 1.402 1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.270 4.174 2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.938 3.421 0.600 1.00 0.00 H new ATOM 1162 N ARG A 74 -5.719 2.907 0.269 1.00 0.00 N ATOM 1163 CA ARG A 74 -7.080 3.165 -0.182 1.00 0.00 C ATOM 1164 C ARG A 74 -7.993 3.375 1.017 1.00 0.00 C ATOM 1165 O ARG A 74 -8.828 4.281 1.019 1.00 0.00 O ATOM 1166 CB ARG A 74 -7.596 1.962 -0.970 1.00 0.00 C ATOM 1167 CG ARG A 74 -7.126 1.922 -2.419 1.00 0.00 C ATOM 1168 CD ARG A 74 -7.814 0.717 -3.068 1.00 0.00 C ATOM 1169 NE ARG A 74 -7.087 0.223 -4.237 1.00 0.00 N ATOM 1170 CZ ARG A 74 -6.761 0.911 -5.331 1.00 0.00 C ATOM 1171 NH1 ARG A 74 -7.189 2.154 -5.538 1.00 0.00 N ATOM 1172 NH2 ARG A 74 -5.983 0.313 -6.227 1.00 0.00 N ATOM 0 H ARG A 74 -5.360 1.986 0.019 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.076 4.056 -0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.275 1.048 -0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.686 1.970 -0.952 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.389 2.844 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.042 1.824 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.905 -0.084 -2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.826 0.995 -3.363 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.798 -0.755 -4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.786 2.609 -4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.920 2.651 -6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.657 -0.640 -6.065 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.712 0.807 -7.077 1.00 0.00 H new ATOM 1186 N ALA A 75 -7.842 2.534 2.042 1.00 0.00 N ATOM 1187 CA ALA A 75 -8.681 2.617 3.223 1.00 0.00 C ATOM 1188 C ALA A 75 -8.435 3.930 3.970 1.00 0.00 C ATOM 1189 O ALA A 75 -9.378 4.552 4.450 1.00 0.00 O ATOM 1190 CB ALA A 75 -8.404 1.391 4.087 1.00 0.00 C ATOM 0 H ALA A 75 -7.145 1.790 2.071 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.736 2.621 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.024 1.430 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.638 0.488 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.352 1.378 4.374 1.00 0.00 H new ATOM 1196 N TYR A 76 -7.173 4.360 4.072 1.00 0.00 N ATOM 1197 CA TYR A 76 -6.839 5.638 4.677 1.00 0.00 C ATOM 1198 C TYR A 76 -7.429 6.772 3.855 1.00 0.00 C ATOM 1199 O TYR A 76 -8.015 7.692 4.421 1.00 0.00 O ATOM 1200 CB TYR A 76 -5.320 5.813 4.743 1.00 0.00 C ATOM 1201 CG TYR A 76 -4.617 5.113 5.886 1.00 0.00 C ATOM 1202 CD1 TYR A 76 -5.256 4.111 6.631 1.00 0.00 C ATOM 1203 CD2 TYR A 76 -3.300 5.484 6.200 1.00 0.00 C ATOM 1204 CE1 TYR A 76 -4.593 3.493 7.699 1.00 0.00 C ATOM 1205 CE2 TYR A 76 -2.632 4.874 7.272 1.00 0.00 C ATOM 1206 CZ TYR A 76 -3.279 3.885 8.033 1.00 0.00 C ATOM 1207 OH TYR A 76 -2.638 3.311 9.092 1.00 0.00 O ATOM 0 H TYR A 76 -6.366 3.832 3.739 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.252 5.659 5.685 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -4.893 5.454 3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.100 6.879 4.806 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.264 3.815 6.380 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.800 6.241 5.615 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.087 2.718 8.266 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.620 5.164 7.513 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.741 3.697 9.180 1.00 0.00 H new ATOM 1217 N LEU A 77 -7.277 6.711 2.529 1.00 0.00 N ATOM 1218 CA LEU A 77 -7.755 7.761 1.651 1.00 0.00 C ATOM 1219 C LEU A 77 -9.255 7.961 1.839 1.00 0.00 C ATOM 1220 O LEU A 77 -9.720 9.097 1.869 1.00 0.00 O ATOM 1221 CB LEU A 77 -7.393 7.384 0.211 1.00 0.00 C ATOM 1222 CG LEU A 77 -7.852 8.440 -0.797 1.00 0.00 C ATOM 1223 CD1 LEU A 77 -7.175 9.784 -0.542 1.00 0.00 C ATOM 1224 CD2 LEU A 77 -7.501 7.969 -2.206 1.00 0.00 C ATOM 0 H LEU A 77 -6.822 5.936 2.046 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.281 8.713 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.314 7.254 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.849 6.425 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.929 8.571 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.523 10.512 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.423 10.132 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.095 9.669 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.825 8.716 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.423 7.830 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.004 7.024 -2.410 1.00 0.00 H new ATOM 1236 N ASP A 78 -10.016 6.871 1.966 1.00 0.00 N ATOM 1237 CA ASP A 78 -11.446 6.973 2.205 1.00 0.00 C ATOM 1238 C ASP A 78 -11.714 7.547 3.596 1.00 0.00 C ATOM 1239 O ASP A 78 -12.606 8.379 3.769 1.00 0.00 O ATOM 1240 CB ASP A 78 -12.075 5.584 2.083 1.00 0.00 C ATOM 1241 CG ASP A 78 -13.599 5.683 2.071 1.00 0.00 C ATOM 1242 OD1 ASP A 78 -14.129 6.219 1.073 1.00 0.00 O ATOM 1243 OD2 ASP A 78 -14.216 5.221 3.056 1.00 0.00 O ATOM 0 H ASP A 78 -9.663 5.916 1.907 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.887 7.642 1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.729 5.101 1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.752 4.958 2.915 1.00 0.00 H new ATOM 1248 N GLU A 79 -10.940 7.103 4.593 1.00 0.00 N ATOM 1249 CA GLU A 79 -11.127 7.539 5.966 1.00 0.00 C ATOM 1250 C GLU A 79 -10.957 9.055 6.090 1.00 0.00 C ATOM 1251 O GLU A 79 -11.704 9.696 6.827 1.00 0.00 O ATOM 1252 CB GLU A 79 -10.138 6.796 6.870 1.00 0.00 C ATOM 1253 CG GLU A 79 -10.380 7.101 8.352 1.00 0.00 C ATOM 1254 CD GLU A 79 -11.765 6.631 8.807 1.00 0.00 C ATOM 1255 OE1 GLU A 79 -12.010 5.406 8.738 1.00 0.00 O ATOM 1256 OE2 GLU A 79 -12.569 7.495 9.221 1.00 0.00 O ATOM 0 H GLU A 79 -10.177 6.439 4.465 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.144 7.303 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.227 5.723 6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.119 7.078 6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.614 6.613 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.285 8.173 8.523 1.00 0.00 H new ATOM 1263 N THR A 80 -9.984 9.639 5.378 1.00 0.00 N ATOM 1264 CA THR A 80 -9.779 11.083 5.418 1.00 0.00 C ATOM 1265 C THR A 80 -10.644 11.806 4.384 1.00 0.00 C ATOM 1266 O THR A 80 -10.885 13.004 4.521 1.00 0.00 O ATOM 1267 CB THR A 80 -8.287 11.420 5.298 1.00 0.00 C ATOM 1268 OG1 THR A 80 -8.115 12.818 5.389 1.00 0.00 O ATOM 1269 CG2 THR A 80 -7.662 10.948 3.990 1.00 0.00 C ATOM 0 H THR A 80 -9.335 9.135 4.774 1.00 0.00 H new ATOM 0 HA THR A 80 -10.110 11.452 6.389 1.00 0.00 H new ATOM 0 HB THR A 80 -7.786 10.895 6.112 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.248 13.066 5.006 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.606 11.219 3.972 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.760 9.865 3.910 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.172 11.421 3.151 1.00 0.00 H new ATOM 1277 N ARG A 81 -11.118 11.104 3.350 1.00 0.00 N ATOM 1278 CA ARG A 81 -12.052 11.681 2.390 1.00 0.00 C ATOM 1279 C ARG A 81 -13.424 11.872 3.038 1.00 0.00 C ATOM 1280 O ARG A 81 -14.180 12.757 2.640 1.00 0.00 O ATOM 1281 CB ARG A 81 -12.151 10.764 1.168 1.00 0.00 C ATOM 1282 CG ARG A 81 -13.061 11.357 0.088 1.00 0.00 C ATOM 1283 CD ARG A 81 -13.196 10.377 -1.077 1.00 0.00 C ATOM 1284 NE ARG A 81 -13.914 9.161 -0.670 1.00 0.00 N ATOM 1285 CZ ARG A 81 -15.234 8.995 -0.789 1.00 0.00 C ATOM 1286 NH1 ARG A 81 -15.999 9.939 -1.331 1.00 0.00 N ATOM 1287 NH2 ARG A 81 -15.798 7.869 -0.363 1.00 0.00 N ATOM 0 H ARG A 81 -10.867 10.134 3.160 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.691 12.659 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.156 10.599 0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.535 9.791 1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.043 11.574 0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.650 12.302 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.726 10.857 -1.900 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.206 10.111 -1.448 1.00 0.00 H new ATOM 0 HE ARG A 81 -13.370 8.396 -0.272 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.579 10.807 -1.664 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.005 9.795 -1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.223 7.136 0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.806 7.738 -0.452 1.00 0.00 H new ATOM 1441 N THR A 93 -2.616 11.586 11.806 1.00 0.00 N ATOM 1442 CA THR A 93 -3.372 10.375 11.494 1.00 0.00 C ATOM 1443 C THR A 93 -3.246 9.937 10.028 1.00 0.00 C ATOM 1444 O THR A 93 -2.310 10.336 9.338 1.00 0.00 O ATOM 1445 CB THR A 93 -4.824 10.519 11.968 1.00 0.00 C ATOM 1446 OG1 THR A 93 -5.154 11.843 12.336 1.00 0.00 O ATOM 1447 CG2 THR A 93 -4.975 9.626 13.198 1.00 0.00 C ATOM 0 HA THR A 93 -2.924 9.553 12.052 1.00 0.00 H new ATOM 0 HB THR A 93 -5.488 10.240 11.150 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.357 12.409 12.270 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.996 9.694 13.574 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.757 8.593 12.927 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.281 9.952 13.972 1.00 0.00 H new ATOM 1455 N CYS A 94 -4.188 9.113 9.552 1.00 0.00 N ATOM 1456 CA CYS A 94 -4.166 8.537 8.213 1.00 0.00 C ATOM 1457 C CYS A 94 -3.916 9.565 7.103 1.00 0.00 C ATOM 1458 O CYS A 94 -3.338 9.218 6.075 1.00 0.00 O ATOM 1459 CB CYS A 94 -5.486 7.805 7.979 1.00 0.00 C ATOM 1460 SG CYS A 94 -6.882 8.960 8.075 1.00 0.00 S ATOM 0 H CYS A 94 -4.999 8.827 10.101 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.323 7.847 8.164 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.472 7.323 7.002 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -5.608 7.017 8.722 1.00 0.00 H new ATOM 0 HG CYS A 94 -7.937 8.331 8.502 1.00 0.00 H new ATOM 1466 N ALA A 95 -4.338 10.822 7.282 1.00 0.00 N ATOM 1467 CA ALA A 95 -4.076 11.854 6.293 1.00 0.00 C ATOM 1468 C ALA A 95 -2.571 12.119 6.196 1.00 0.00 C ATOM 1469 O ALA A 95 -2.006 12.191 5.105 1.00 0.00 O ATOM 1470 CB ALA A 95 -4.831 13.119 6.694 1.00 0.00 C ATOM 0 H ALA A 95 -4.858 11.140 8.100 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.420 11.529 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.643 13.903 5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.900 12.908 6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.490 13.451 7.675 1.00 0.00 H new ATOM 1476 N HIS A 96 -1.921 12.262 7.354 1.00 0.00 N ATOM 1477 CA HIS A 96 -0.486 12.499 7.418 1.00 0.00 C ATOM 1478 C HIS A 96 0.272 11.254 6.984 1.00 0.00 C ATOM 1479 O HIS A 96 1.391 11.336 6.483 1.00 0.00 O ATOM 1480 CB HIS A 96 -0.105 12.828 8.854 1.00 0.00 C ATOM 1481 CG HIS A 96 1.258 13.455 8.975 1.00 0.00 C ATOM 1482 ND1 HIS A 96 1.684 14.595 8.292 1.00 0.00 N ATOM 1483 CD2 HIS A 96 2.273 12.998 9.766 1.00 0.00 C ATOM 1484 CE1 HIS A 96 2.952 14.797 8.689 1.00 0.00 C ATOM 1485 NE2 HIS A 96 3.332 13.856 9.572 1.00 0.00 N ATOM 0 H HIS A 96 -2.376 12.216 8.266 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.230 13.325 6.755 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.848 13.505 9.275 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -0.132 11.915 9.449 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.250 12.135 10.415 1.00 0.00 H new ATOM 0 HE1 HIS A 96 3.581 15.605 8.346 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.246 13.790 10.020 1.00 0.00 H new ATOM 1493 N ALA A 97 -0.355 10.099 7.182 1.00 0.00 N ATOM 1494 CA ALA A 97 0.214 8.822 6.826 1.00 0.00 C ATOM 1495 C ALA A 97 0.311 8.693 5.305 1.00 0.00 C ATOM 1496 O ALA A 97 1.320 8.218 4.786 1.00 0.00 O ATOM 1497 CB ALA A 97 -0.677 7.761 7.459 1.00 0.00 C ATOM 0 H ALA A 97 -1.283 10.032 7.600 1.00 0.00 H new ATOM 0 HA ALA A 97 1.233 8.706 7.195 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.290 6.771 7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.689 7.894 8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.691 7.858 7.070 1.00 0.00 H new ATOM 1503 N ILE A 98 -0.737 9.116 4.589 1.00 0.00 N ATOM 1504 CA ILE A 98 -0.696 9.174 3.135 1.00 0.00 C ATOM 1505 C ILE A 98 0.348 10.205 2.722 1.00 0.00 C ATOM 1506 O ILE A 98 1.113 9.973 1.788 1.00 0.00 O ATOM 1507 CB ILE A 98 -2.076 9.558 2.586 1.00 0.00 C ATOM 1508 CG1 ILE A 98 -3.090 8.444 2.874 1.00 0.00 C ATOM 1509 CG2 ILE A 98 -2.000 9.798 1.074 1.00 0.00 C ATOM 1510 CD1 ILE A 98 -4.516 8.931 2.622 1.00 0.00 C ATOM 0 H ILE A 98 -1.620 9.421 4.998 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.429 8.199 2.728 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.398 10.475 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.878 7.581 2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.991 8.114 3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.987 10.070 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.298 10.607 0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.661 8.889 0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.218 8.125 2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.731 9.779 3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.617 9.238 1.581 1.00 0.00 H new ATOM 1522 N ASN A 99 0.385 11.347 3.420 1.00 0.00 N ATOM 1523 CA ASN A 99 1.363 12.387 3.132 1.00 0.00 C ATOM 1524 C ASN A 99 2.788 11.854 3.300 1.00 0.00 C ATOM 1525 O ASN A 99 3.695 12.272 2.581 1.00 0.00 O ATOM 1526 CB ASN A 99 1.107 13.571 4.068 1.00 0.00 C ATOM 1527 CG ASN A 99 1.896 14.812 3.667 1.00 0.00 C ATOM 1528 OD1 ASN A 99 2.380 14.926 2.542 1.00 0.00 O ATOM 1529 ND2 ASN A 99 2.031 15.756 4.593 1.00 0.00 N ATOM 0 H ASN A 99 -0.252 11.568 4.185 1.00 0.00 H new ATOM 0 HA ASN A 99 1.259 12.712 2.097 1.00 0.00 H new ATOM 0 HB2 ASN A 99 0.043 13.806 4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.372 13.289 5.087 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.549 16.608 4.381 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.616 15.628 5.516 1.00 0.00 H new ATOM 1536 N THR A 100 2.987 10.931 4.246 1.00 0.00 N ATOM 1537 CA THR A 100 4.298 10.347 4.500 1.00 0.00 C ATOM 1538 C THR A 100 4.663 9.332 3.422 1.00 0.00 C ATOM 1539 O THR A 100 5.802 9.319 2.964 1.00 0.00 O ATOM 1540 CB THR A 100 4.341 9.714 5.892 1.00 0.00 C ATOM 1541 OG1 THR A 100 4.037 10.685 6.870 1.00 0.00 O ATOM 1542 CG2 THR A 100 5.740 9.173 6.172 1.00 0.00 C ATOM 0 H THR A 100 2.247 10.573 4.850 1.00 0.00 H new ATOM 0 HA THR A 100 5.040 11.144 4.466 1.00 0.00 H new ATOM 0 HB THR A 100 3.612 8.905 5.928 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.126 11.017 6.730 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.764 8.723 7.165 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.995 8.420 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.462 9.989 6.125 1.00 0.00 H new ATOM 1550 N LEU A 101 3.726 8.475 3.000 1.00 0.00 N ATOM 1551 CA LEU A 101 3.996 7.591 1.872 1.00 0.00 C ATOM 1552 C LEU A 101 4.297 8.442 0.639 1.00 0.00 C ATOM 1553 O LEU A 101 5.038 8.016 -0.244 1.00 0.00 O ATOM 1554 CB LEU A 101 2.776 6.716 1.579 1.00 0.00 C ATOM 1555 CG LEU A 101 2.558 5.609 2.610 1.00 0.00 C ATOM 1556 CD1 LEU A 101 1.132 5.079 2.466 1.00 0.00 C ATOM 1557 CD2 LEU A 101 3.531 4.458 2.361 1.00 0.00 C ATOM 0 H LEU A 101 2.798 8.379 3.413 1.00 0.00 H new ATOM 0 HA LEU A 101 4.845 6.952 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.887 7.346 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.890 6.266 0.593 1.00 0.00 H new ATOM 0 HG LEU A 101 2.723 6.012 3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.962 4.288 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.424 5.889 2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.991 4.681 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.366 3.676 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.367 4.053 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.555 4.823 2.441 1.00 0.00 H new ATOM 1569 N GLY A 102 3.721 9.647 0.578 1.00 0.00 N ATOM 1570 CA GLY A 102 3.912 10.575 -0.524 1.00 0.00 C ATOM 1571 C GLY A 102 5.372 10.978 -0.738 1.00 0.00 C ATOM 1572 O GLY A 102 5.696 11.518 -1.795 1.00 0.00 O ATOM 0 H GLY A 102 3.102 10.003 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.531 10.123 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.319 11.471 -0.340 1.00 0.00 H new ATOM 1576 N GLU A 103 6.261 10.731 0.231 1.00 0.00 N ATOM 1577 CA GLU A 103 7.667 11.090 0.085 1.00 0.00 C ATOM 1578 C GLU A 103 8.515 9.891 -0.349 1.00 0.00 C ATOM 1579 O GLU A 103 9.703 10.048 -0.632 1.00 0.00 O ATOM 1580 CB GLU A 103 8.192 11.750 1.369 1.00 0.00 C ATOM 1581 CG GLU A 103 8.731 10.748 2.392 1.00 0.00 C ATOM 1582 CD GLU A 103 9.164 11.463 3.670 1.00 0.00 C ATOM 1583 OE1 GLU A 103 8.271 11.778 4.491 1.00 0.00 O ATOM 1584 OE2 GLU A 103 10.387 11.690 3.818 1.00 0.00 O ATOM 0 H GLU A 103 6.028 10.286 1.119 1.00 0.00 H new ATOM 0 HA GLU A 103 7.751 11.825 -0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.983 12.454 1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.389 12.328 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.964 10.009 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.577 10.207 1.968 1.00 0.00 H new ATOM 1591 N VAL A 104 7.913 8.699 -0.405 1.00 0.00 N ATOM 1592 CA VAL A 104 8.620 7.479 -0.780 1.00 0.00 C ATOM 1593 C VAL A 104 7.969 6.775 -1.965 1.00 0.00 C ATOM 1594 O VAL A 104 8.640 6.009 -2.654 1.00 0.00 O ATOM 1595 CB VAL A 104 8.685 6.516 0.406 1.00 0.00 C ATOM 1596 CG1 VAL A 104 9.484 7.127 1.556 1.00 0.00 C ATOM 1597 CG2 VAL A 104 7.286 6.140 0.885 1.00 0.00 C ATOM 0 H VAL A 104 6.926 8.557 -0.192 1.00 0.00 H new ATOM 0 HA VAL A 104 9.627 7.775 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 104 9.190 5.610 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.517 6.425 2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.499 7.341 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.006 8.052 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.362 5.454 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.754 7.039 1.195 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.741 5.657 0.074 1.00 0.00 H new ATOM 1607 N ILE A 105 6.681 7.022 -2.213 1.00 0.00 N ATOM 1608 CA ILE A 105 5.941 6.365 -3.278 1.00 0.00 C ATOM 1609 C ILE A 105 6.619 6.562 -4.633 1.00 0.00 C ATOM 1610 O ILE A 105 6.459 5.735 -5.526 1.00 0.00 O ATOM 1611 CB ILE A 105 4.502 6.902 -3.260 1.00 0.00 C ATOM 1612 CG1 ILE A 105 3.557 6.038 -4.096 1.00 0.00 C ATOM 1613 CG2 ILE A 105 4.434 8.352 -3.747 1.00 0.00 C ATOM 1614 CD1 ILE A 105 3.494 4.626 -3.518 1.00 0.00 C ATOM 0 H ILE A 105 6.125 7.687 -1.675 1.00 0.00 H new ATOM 0 HA ILE A 105 5.923 5.288 -3.113 1.00 0.00 H new ATOM 0 HB ILE A 105 4.177 6.864 -2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.561 6.480 -4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.902 6.002 -5.129 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.400 8.697 -3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.044 8.982 -3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 105 4.810 8.411 -4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 105 2.819 4.017 -4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.490 4.183 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.128 4.669 -2.492 1.00 0.00 H new ATOM 1626 N GLN A 106 7.374 7.654 -4.781 1.00 0.00 N ATOM 1627 CA GLN A 106 8.098 7.960 -6.004 1.00 0.00 C ATOM 1628 C GLN A 106 9.137 6.882 -6.316 1.00 0.00 C ATOM 1629 O GLN A 106 9.085 6.257 -7.375 1.00 0.00 O ATOM 1630 CB GLN A 106 8.708 9.366 -5.899 1.00 0.00 C ATOM 1631 CG GLN A 106 9.510 9.599 -4.613 1.00 0.00 C ATOM 1632 CD GLN A 106 9.986 11.044 -4.491 1.00 0.00 C ATOM 1633 OE1 GLN A 106 9.916 11.820 -5.439 1.00 0.00 O ATOM 1634 NE2 GLN A 106 10.480 11.417 -3.312 1.00 0.00 N ATOM 0 H GLN A 106 7.497 8.351 -4.047 1.00 0.00 H new ATOM 0 HA GLN A 106 7.407 7.960 -6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.359 9.535 -6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 106 7.908 10.104 -5.956 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.894 9.346 -3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 106 10.371 8.931 -4.596 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.525 10.748 -2.543 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.814 12.372 -3.178 1.00 0.00 H new ATOM 1643 N GLU A 107 10.080 6.662 -5.398 1.00 0.00 N ATOM 1644 CA GLU A 107 11.134 5.675 -5.590 1.00 0.00 C ATOM 1645 C GLU A 107 10.584 4.259 -5.437 1.00 0.00 C ATOM 1646 O GLU A 107 11.094 3.329 -6.061 1.00 0.00 O ATOM 1647 CB GLU A 107 12.289 5.950 -4.620 1.00 0.00 C ATOM 1648 CG GLU A 107 11.850 5.902 -3.152 1.00 0.00 C ATOM 1649 CD GLU A 107 13.042 6.168 -2.228 1.00 0.00 C ATOM 1650 OE1 GLU A 107 13.338 7.362 -1.998 1.00 0.00 O ATOM 1651 OE2 GLU A 107 13.647 5.179 -1.760 1.00 0.00 O ATOM 0 H GLU A 107 10.131 7.160 -4.509 1.00 0.00 H new ATOM 0 HA GLU A 107 11.522 5.758 -6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.078 5.216 -4.783 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.715 6.930 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 107 11.072 6.644 -2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 107 11.418 4.927 -2.927 1.00 0.00 H new ATOM 1658 N LEU A 108 9.546 4.093 -4.612 1.00 0.00 N ATOM 1659 CA LEU A 108 8.939 2.794 -4.381 1.00 0.00 C ATOM 1660 C LEU A 108 8.347 2.274 -5.690 1.00 0.00 C ATOM 1661 O LEU A 108 8.701 1.183 -6.137 1.00 0.00 O ATOM 1662 CB LEU A 108 7.907 2.934 -3.257 1.00 0.00 C ATOM 1663 CG LEU A 108 7.541 1.601 -2.594 1.00 0.00 C ATOM 1664 CD1 LEU A 108 6.726 1.899 -1.339 1.00 0.00 C ATOM 1665 CD2 LEU A 108 6.713 0.696 -3.503 1.00 0.00 C ATOM 0 H LEU A 108 9.110 4.855 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 108 9.674 2.056 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 108 8.297 3.613 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 108 7.003 3.391 -3.659 1.00 0.00 H new ATOM 0 HG LEU A 108 8.470 1.078 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 108 6.454 0.963 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.320 2.506 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.821 2.441 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.484 -0.233 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 108 5.785 1.200 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.279 0.473 -4.408 1.00 0.00 H new ATOM 1677 N LEU A 109 7.447 3.048 -6.307 1.00 0.00 N ATOM 1678 CA LEU A 109 6.862 2.691 -7.590 1.00 0.00 C ATOM 1679 C LEU A 109 7.943 2.588 -8.650 1.00 0.00 C ATOM 1680 O LEU A 109 8.077 1.528 -9.254 1.00 0.00 O ATOM 1681 CB LEU A 109 5.792 3.706 -7.990 1.00 0.00 C ATOM 1682 CG LEU A 109 4.496 3.498 -7.201 1.00 0.00 C ATOM 1683 CD1 LEU A 109 3.522 4.622 -7.530 1.00 0.00 C ATOM 1684 CD2 LEU A 109 3.830 2.171 -7.571 1.00 0.00 C ATOM 0 H LEU A 109 7.110 3.933 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 109 6.382 1.716 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 109 6.165 4.716 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.587 3.619 -9.057 1.00 0.00 H new ATOM 0 HG LEU A 109 4.745 3.491 -6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.598 4.478 -6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.966 5.579 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.304 4.614 -8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.912 2.051 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.594 2.167 -8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.509 1.348 -7.347 1.00 0.00 H new ATOM 1696 N SER A 110 8.715 3.651 -8.893 1.00 0.00 N ATOM 1697 CA SER A 110 9.637 3.628 -10.020 1.00 0.00 C ATOM 1698 C SER A 110 10.577 2.421 -9.969 1.00 0.00 C ATOM 1699 O SER A 110 10.786 1.778 -10.996 1.00 0.00 O ATOM 1700 CB SER A 110 10.415 4.941 -10.111 1.00 0.00 C ATOM 1701 OG SER A 110 11.082 5.224 -8.902 1.00 0.00 O ATOM 0 H SER A 110 8.719 4.509 -8.342 1.00 0.00 H new ATOM 0 HA SER A 110 9.042 3.524 -10.928 1.00 0.00 H new ATOM 0 HB2 SER A 110 11.139 4.882 -10.924 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.732 5.756 -10.352 1.00 0.00 H new ATOM 0 HG SER A 110 10.456 5.640 -8.273 1.00 0.00 H new ATOM 1707 N ASP A 111 11.151 2.091 -8.806 1.00 0.00 N ATOM 1708 CA ASP A 111 12.008 0.914 -8.733 1.00 0.00 C ATOM 1709 C ASP A 111 11.189 -0.363 -8.893 1.00 0.00 C ATOM 1710 O ASP A 111 11.615 -1.275 -9.597 1.00 0.00 O ATOM 1711 CB ASP A 111 12.781 0.870 -7.417 1.00 0.00 C ATOM 1712 CG ASP A 111 13.817 1.991 -7.310 1.00 0.00 C ATOM 1713 OD1 ASP A 111 14.321 2.424 -8.372 1.00 0.00 O ATOM 1714 OD2 ASP A 111 14.099 2.410 -6.165 1.00 0.00 O ATOM 0 H ASP A 111 11.041 2.606 -7.932 1.00 0.00 H new ATOM 0 HA ASP A 111 12.724 0.982 -9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 111 12.081 0.946 -6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 111 13.282 -0.094 -7.325 1.00 0.00 H new ATOM 1719 N ALA A 112 10.020 -0.441 -8.251 1.00 0.00 N ATOM 1720 CA ALA A 112 9.154 -1.604 -8.330 1.00 0.00 C ATOM 1721 C ALA A 112 8.791 -1.937 -9.774 1.00 0.00 C ATOM 1722 O ALA A 112 8.943 -3.080 -10.193 1.00 0.00 O ATOM 1723 CB ALA A 112 7.892 -1.362 -7.502 1.00 0.00 C ATOM 0 H ALA A 112 9.653 0.307 -7.662 1.00 0.00 H new ATOM 0 HA ALA A 112 9.694 -2.460 -7.925 1.00 0.00 H new ATOM 0 HB1 ALA A 112 7.244 -2.236 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 112 8.167 -1.186 -6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 112 7.364 -0.491 -7.890 1.00 0.00 H new ATOM 1729 N ILE A 113 8.313 -0.959 -10.552 1.00 0.00 N ATOM 1730 CA ILE A 113 7.969 -1.226 -11.939 1.00 0.00 C ATOM 1731 C ILE A 113 9.216 -1.478 -12.778 1.00 0.00 C ATOM 1732 O ILE A 113 9.183 -2.300 -13.692 1.00 0.00 O ATOM 1733 CB ILE A 113 7.145 -0.095 -12.570 1.00 0.00 C ATOM 1734 CG1 ILE A 113 6.478 0.801 -11.518 1.00 0.00 C ATOM 1735 CG2 ILE A 113 6.149 -0.757 -13.514 1.00 0.00 C ATOM 1736 CD1 ILE A 113 5.185 1.489 -11.918 1.00 0.00 C ATOM 0 H ILE A 113 8.161 0.002 -10.247 1.00 0.00 H new ATOM 0 HA ILE A 113 7.352 -2.125 -11.930 1.00 0.00 H new ATOM 0 HB ILE A 113 7.787 0.589 -13.125 1.00 0.00 H new ATOM 0 HG12 ILE A 113 6.280 0.195 -10.634 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.194 1.569 -11.224 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.536 0.008 -13.990 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.689 -1.317 -14.278 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.509 -1.436 -12.950 1.00 0.00 H new ATOM 0 HD11 ILE A 113 4.820 2.090 -11.085 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.367 2.133 -12.778 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.439 0.738 -12.178 1.00 0.00 H new ATOM 1748 N ALA A 114 10.322 -0.786 -12.486 1.00 0.00 N ATOM 1749 CA ALA A 114 11.537 -0.999 -13.248 1.00 0.00 C ATOM 1750 C ALA A 114 12.122 -2.385 -12.973 1.00 0.00 C ATOM 1751 O ALA A 114 12.848 -2.926 -13.807 1.00 0.00 O ATOM 1752 CB ALA A 114 12.546 0.100 -12.914 1.00 0.00 C ATOM 0 H ALA A 114 10.393 -0.091 -11.743 1.00 0.00 H new ATOM 0 HA ALA A 114 11.302 -0.952 -14.311 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.460 -0.059 -13.486 1.00 0.00 H new ATOM 0 HB2 ALA A 114 12.123 1.072 -13.168 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.775 0.072 -11.849 1.00 0.00 H new ATOM 1758 N LYS A 115 11.810 -2.960 -11.804 1.00 0.00 N ATOM 1759 CA LYS A 115 12.268 -4.290 -11.425 1.00 0.00 C ATOM 1760 C LYS A 115 11.286 -5.362 -11.907 1.00 0.00 C ATOM 1761 O LYS A 115 11.616 -6.548 -11.919 1.00 0.00 O ATOM 1762 CB LYS A 115 12.514 -4.318 -9.906 1.00 0.00 C ATOM 1763 CG LYS A 115 11.309 -4.736 -9.057 1.00 0.00 C ATOM 1764 CD LYS A 115 11.637 -5.998 -8.261 1.00 0.00 C ATOM 1765 CE LYS A 115 11.854 -7.197 -9.187 1.00 0.00 C ATOM 1766 NZ LYS A 115 12.107 -8.434 -8.424 1.00 0.00 N ATOM 0 H LYS A 115 11.230 -2.509 -11.097 1.00 0.00 H new ATOM 0 HA LYS A 115 13.214 -4.522 -11.915 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.338 -5.002 -9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.836 -3.326 -9.588 1.00 0.00 H new ATOM 0 HG2 LYS A 115 11.036 -3.929 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.447 -4.916 -9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 115 12.533 -5.831 -7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.825 -6.214 -7.566 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.977 -7.332 -9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.697 -6.998 -9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.543 -9.143 -9.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.749 -8.228 -7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.208 -8.804 -8.054 1.00 0.00 H new ATOM 1780 N SER A 116 10.081 -4.943 -12.305 1.00 0.00 N ATOM 1781 CA SER A 116 8.978 -5.843 -12.615 1.00 0.00 C ATOM 1782 C SER A 116 9.077 -6.477 -14.000 1.00 0.00 C ATOM 1783 O SER A 116 9.739 -5.957 -14.897 1.00 0.00 O ATOM 1784 CB SER A 116 7.660 -5.083 -12.461 1.00 0.00 C ATOM 1785 OG SER A 116 7.427 -4.243 -13.570 1.00 0.00 O ATOM 0 H SER A 116 9.846 -3.957 -12.421 1.00 0.00 H new ATOM 0 HA SER A 116 9.025 -6.673 -11.910 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.838 -5.791 -12.358 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.684 -4.488 -11.548 1.00 0.00 H new ATOM 0 HG SER A 116 8.134 -3.567 -13.623 1.00 0.00 H new ATOM 1791 N ASN A 117 8.401 -7.619 -14.158 1.00 0.00 N ATOM 1792 CA ASN A 117 8.230 -8.294 -15.436 1.00 0.00 C ATOM 1793 C ASN A 117 6.949 -7.763 -16.091 1.00 0.00 C ATOM 1794 O ASN A 117 6.217 -7.001 -15.464 1.00 0.00 O ATOM 1795 CB ASN A 117 8.183 -9.807 -15.190 1.00 0.00 C ATOM 1796 CG ASN A 117 8.276 -10.629 -16.471 1.00 0.00 C ATOM 1797 OD1 ASN A 117 8.574 -10.108 -17.543 1.00 0.00 O ATOM 1798 ND2 ASN A 117 8.022 -11.929 -16.368 1.00 0.00 N ATOM 0 H ASN A 117 7.951 -8.105 -13.382 1.00 0.00 H new ATOM 0 HA ASN A 117 9.060 -8.098 -16.114 1.00 0.00 H new ATOM 0 HB2 ASN A 117 9.002 -10.086 -14.527 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.256 -10.056 -14.673 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.072 -12.525 -17.194 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.777 -12.331 -15.463 1.00 0.00 H new ATOM 1805 N GLN A 118 6.659 -8.144 -17.337 1.00 0.00 N ATOM 1806 CA GLN A 118 5.493 -7.630 -18.049 1.00 0.00 C ATOM 1807 C GLN A 118 4.201 -7.868 -17.264 1.00 0.00 C ATOM 1808 O GLN A 118 3.375 -6.967 -17.142 1.00 0.00 O ATOM 1809 CB GLN A 118 5.402 -8.285 -19.429 1.00 0.00 C ATOM 1810 CG GLN A 118 6.629 -7.938 -20.275 1.00 0.00 C ATOM 1811 CD GLN A 118 6.554 -8.551 -21.668 1.00 0.00 C ATOM 1812 OE1 GLN A 118 5.598 -9.243 -22.012 1.00 0.00 O ATOM 1813 NE2 GLN A 118 7.572 -8.300 -22.485 1.00 0.00 N ATOM 0 H GLN A 118 7.218 -8.808 -17.872 1.00 0.00 H new ATOM 0 HA GLN A 118 5.614 -6.553 -18.163 1.00 0.00 H new ATOM 0 HB2 GLN A 118 5.324 -9.367 -19.319 1.00 0.00 H new ATOM 0 HB3 GLN A 118 4.498 -7.950 -19.937 1.00 0.00 H new ATOM 0 HG2 GLN A 118 6.716 -6.855 -20.360 1.00 0.00 H new ATOM 0 HG3 GLN A 118 7.529 -8.292 -19.771 1.00 0.00 H new ATOM 0 HE21 GLN A 118 8.350 -7.722 -22.168 1.00 0.00 H new ATOM 0 HE22 GLN A 118 7.575 -8.686 -23.429 1.00 0.00 H new ATOM 1822 N ASP A 119 4.008 -9.074 -16.727 1.00 0.00 N ATOM 1823 CA ASP A 119 2.802 -9.374 -15.972 1.00 0.00 C ATOM 1824 C ASP A 119 2.733 -8.510 -14.712 1.00 0.00 C ATOM 1825 O ASP A 119 1.666 -8.035 -14.325 1.00 0.00 O ATOM 1826 CB ASP A 119 2.795 -10.858 -15.604 1.00 0.00 C ATOM 1827 CG ASP A 119 2.757 -11.737 -16.849 1.00 0.00 C ATOM 1828 OD1 ASP A 119 1.643 -11.931 -17.386 1.00 0.00 O ATOM 1829 OD2 ASP A 119 3.844 -12.210 -17.256 1.00 0.00 O ATOM 0 H ASP A 119 4.667 -9.849 -16.803 1.00 0.00 H new ATOM 0 HA ASP A 119 1.928 -9.151 -16.583 1.00 0.00 H new ATOM 0 HB2 ASP A 119 3.683 -11.093 -15.017 1.00 0.00 H new ATOM 0 HB3 ASP A 119 1.931 -11.075 -14.976 1.00 0.00 H new ATOM 1834 N HIS A 120 3.885 -8.306 -14.070 1.00 0.00 N ATOM 1835 CA HIS A 120 3.952 -7.538 -12.840 1.00 0.00 C ATOM 1836 C HIS A 120 3.713 -6.051 -13.105 1.00 0.00 C ATOM 1837 O HIS A 120 2.950 -5.426 -12.375 1.00 0.00 O ATOM 1838 CB HIS A 120 5.303 -7.780 -12.177 1.00 0.00 C ATOM 1839 CG HIS A 120 5.534 -9.214 -11.781 1.00 0.00 C ATOM 1840 ND1 HIS A 120 6.762 -9.877 -11.862 1.00 0.00 N ATOM 1841 CD2 HIS A 120 4.593 -10.072 -11.286 1.00 0.00 C ATOM 1842 CE1 HIS A 120 6.525 -11.122 -11.420 1.00 0.00 C ATOM 1843 NE2 HIS A 120 5.236 -11.267 -11.068 1.00 0.00 N ATOM 0 H HIS A 120 4.784 -8.667 -14.389 1.00 0.00 H new ATOM 0 HA HIS A 120 3.163 -7.866 -12.164 1.00 0.00 H new ATOM 0 HB2 HIS A 120 6.094 -7.469 -12.860 1.00 0.00 H new ATOM 0 HB3 HIS A 120 5.381 -7.150 -11.291 1.00 0.00 H new ATOM 0 HD2 HIS A 120 3.551 -9.854 -11.103 1.00 0.00 H new ATOM 0 HE1 HIS A 120 7.269 -11.902 -11.356 1.00 0.00 H new ATOM 0 HE2 HIS A 120 4.808 -12.118 -10.702 1.00 0.00 H new ATOM 1851 N LYS A 121 4.343 -5.468 -14.136 1.00 0.00 N ATOM 1852 CA LYS A 121 4.058 -4.087 -14.500 1.00 0.00 C ATOM 1853 C LYS A 121 2.576 -3.926 -14.811 1.00 0.00 C ATOM 1854 O LYS A 121 1.999 -2.889 -14.498 1.00 0.00 O ATOM 1855 CB LYS A 121 4.948 -3.610 -15.663 1.00 0.00 C ATOM 1856 CG LYS A 121 4.201 -2.856 -16.776 1.00 0.00 C ATOM 1857 CD LYS A 121 3.613 -3.801 -17.824 1.00 0.00 C ATOM 1858 CE LYS A 121 2.434 -3.155 -18.558 1.00 0.00 C ATOM 1859 NZ LYS A 121 2.867 -2.029 -19.406 1.00 0.00 N ATOM 0 H LYS A 121 5.041 -5.929 -14.720 1.00 0.00 H new ATOM 0 HA LYS A 121 4.297 -3.448 -13.650 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.728 -2.961 -15.264 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.446 -4.475 -16.100 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.400 -2.262 -16.335 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.884 -2.159 -17.261 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.385 -4.076 -18.543 1.00 0.00 H new ATOM 0 HD3 LYS A 121 3.284 -4.722 -17.342 1.00 0.00 H new ATOM 0 HE2 LYS A 121 1.936 -3.903 -19.174 1.00 0.00 H new ATOM 0 HE3 LYS A 121 1.703 -2.802 -17.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.041 -1.618 -19.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 3.320 -1.303 -18.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 3.546 -2.370 -20.116 1.00 0.00 H new ATOM 1873 N GLU A 122 1.956 -4.938 -15.420 1.00 0.00 N ATOM 1874 CA GLU A 122 0.549 -4.844 -15.752 1.00 0.00 C ATOM 1875 C GLU A 122 -0.291 -4.794 -14.480 1.00 0.00 C ATOM 1876 O GLU A 122 -1.242 -4.019 -14.397 1.00 0.00 O ATOM 1877 CB GLU A 122 0.169 -6.014 -16.657 1.00 0.00 C ATOM 1878 CG GLU A 122 -1.288 -5.847 -17.080 1.00 0.00 C ATOM 1879 CD GLU A 122 -1.719 -6.972 -18.015 1.00 0.00 C ATOM 1880 OE1 GLU A 122 -1.533 -6.804 -19.243 1.00 0.00 O ATOM 1881 OE2 GLU A 122 -2.230 -7.989 -17.499 1.00 0.00 O ATOM 0 H GLU A 122 2.404 -5.815 -15.686 1.00 0.00 H new ATOM 0 HA GLU A 122 0.350 -3.921 -16.296 1.00 0.00 H new ATOM 0 HB2 GLU A 122 0.817 -6.041 -17.533 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.305 -6.959 -16.131 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -1.928 -5.838 -16.197 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.418 -4.886 -17.578 1.00 0.00 H new ATOM 1888 N LYS A 123 0.050 -5.616 -13.481 1.00 0.00 N ATOM 1889 CA LYS A 123 -0.644 -5.556 -12.201 1.00 0.00 C ATOM 1890 C LYS A 123 -0.456 -4.181 -11.558 1.00 0.00 C ATOM 1891 O LYS A 123 -1.413 -3.605 -11.045 1.00 0.00 O ATOM 1892 CB LYS A 123 -0.135 -6.659 -11.264 1.00 0.00 C ATOM 1893 CG LYS A 123 -0.534 -8.051 -11.762 1.00 0.00 C ATOM 1894 CD LYS A 123 0.073 -9.149 -10.879 1.00 0.00 C ATOM 1895 CE LYS A 123 -0.541 -9.167 -9.474 1.00 0.00 C ATOM 1896 NZ LYS A 123 -1.958 -9.575 -9.510 1.00 0.00 N ATOM 0 H LYS A 123 0.789 -6.317 -13.536 1.00 0.00 H new ATOM 0 HA LYS A 123 -1.708 -5.715 -12.376 1.00 0.00 H new ATOM 0 HB2 LYS A 123 0.950 -6.598 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.537 -6.501 -10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -1.620 -8.142 -11.765 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -0.200 -8.182 -12.791 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -0.079 -10.119 -11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.150 -8.997 -10.801 1.00 0.00 H new ATOM 0 HE2 LYS A 123 0.020 -9.852 -8.839 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.457 -8.177 -9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -2.536 -8.866 -9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -2.273 -9.650 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.066 -10.497 -9.041 1.00 0.00 H new ATOM 1910 N ILE A 124 0.771 -3.650 -11.578 1.00 0.00 N ATOM 1911 CA ILE A 124 1.063 -2.352 -10.977 1.00 0.00 C ATOM 1912 C ILE A 124 0.314 -1.253 -11.739 1.00 0.00 C ATOM 1913 O ILE A 124 -0.183 -0.306 -11.134 1.00 0.00 O ATOM 1914 CB ILE A 124 2.585 -2.134 -10.954 1.00 0.00 C ATOM 1915 CG1 ILE A 124 3.234 -3.202 -10.062 1.00 0.00 C ATOM 1916 CG2 ILE A 124 2.942 -0.747 -10.411 1.00 0.00 C ATOM 1917 CD1 ILE A 124 4.760 -3.190 -10.159 1.00 0.00 C ATOM 0 H ILE A 124 1.578 -4.104 -12.006 1.00 0.00 H new ATOM 0 HA ILE A 124 0.715 -2.317 -9.945 1.00 0.00 H new ATOM 0 HB ILE A 124 2.956 -2.210 -11.976 1.00 0.00 H new ATOM 0 HG12 ILE A 124 2.937 -3.037 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.862 -4.186 -10.348 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.025 -0.625 -10.408 1.00 0.00 H new ATOM 0 HG22 ILE A 124 2.493 0.018 -11.044 1.00 0.00 H new ATOM 0 HG23 ILE A 124 2.563 -0.646 -9.394 1.00 0.00 H new ATOM 0 HD11 ILE A 124 5.172 -3.963 -9.510 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.061 -3.383 -11.189 1.00 0.00 H new ATOM 0 HD13 ILE A 124 5.137 -2.216 -9.847 1.00 0.00 H new ATOM 1929 N ARG A 125 0.230 -1.378 -13.068 1.00 0.00 N ATOM 1930 CA ARG A 125 -0.503 -0.434 -13.903 1.00 0.00 C ATOM 1931 C ARG A 125 -1.977 -0.445 -13.527 1.00 0.00 C ATOM 1932 O ARG A 125 -2.610 0.606 -13.496 1.00 0.00 O ATOM 1933 CB ARG A 125 -0.319 -0.814 -15.378 1.00 0.00 C ATOM 1934 CG ARG A 125 -1.068 0.150 -16.298 1.00 0.00 C ATOM 1935 CD ARG A 125 -0.886 -0.286 -17.751 1.00 0.00 C ATOM 1936 NE ARG A 125 -1.723 0.510 -18.655 1.00 0.00 N ATOM 1937 CZ ARG A 125 -1.282 1.481 -19.461 1.00 0.00 C ATOM 1938 NH1 ARG A 125 0.002 1.831 -19.482 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -2.138 2.115 -20.261 1.00 0.00 N ATOM 0 H ARG A 125 0.669 -2.137 -13.590 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.117 0.573 -13.745 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.742 -0.808 -15.628 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.679 -1.830 -15.542 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.127 0.165 -16.042 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -0.693 1.164 -16.162 1.00 0.00 H new ATOM 0 HD2 ARG A 125 0.161 -0.182 -18.036 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -1.140 -1.341 -17.851 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.722 0.306 -18.670 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.670 1.356 -18.876 1.00 0.00 H new ATOM 0 HH12 ARG A 125 0.318 2.575 -20.105 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -3.125 1.859 -20.257 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -1.806 2.857 -20.878 1.00 0.00 H new ATOM 1953 N MET A 126 -2.528 -1.626 -13.239 1.00 0.00 N ATOM 1954 CA MET A 126 -3.921 -1.747 -12.839 1.00 0.00 C ATOM 1955 C MET A 126 -4.151 -1.074 -11.487 1.00 0.00 C ATOM 1956 O MET A 126 -5.139 -0.360 -11.318 1.00 0.00 O ATOM 1957 CB MET A 126 -4.312 -3.226 -12.814 1.00 0.00 C ATOM 1958 CG MET A 126 -5.794 -3.391 -12.465 1.00 0.00 C ATOM 1959 SD MET A 126 -6.424 -5.076 -12.670 1.00 0.00 S ATOM 1960 CE MET A 126 -5.354 -5.961 -11.507 1.00 0.00 C ATOM 0 H MET A 126 -2.024 -2.512 -13.277 1.00 0.00 H new ATOM 0 HA MET A 126 -4.557 -1.236 -13.561 1.00 0.00 H new ATOM 0 HB2 MET A 126 -4.110 -3.677 -13.786 1.00 0.00 H new ATOM 0 HB3 MET A 126 -3.701 -3.756 -12.084 1.00 0.00 H new ATOM 0 HG2 MET A 126 -5.949 -3.081 -11.432 1.00 0.00 H new ATOM 0 HG3 MET A 126 -6.380 -2.718 -13.091 1.00 0.00 H new ATOM 0 HE1 MET A 126 -5.931 -6.733 -10.997 1.00 0.00 H new ATOM 0 HE2 MET A 126 -4.530 -6.423 -12.050 1.00 0.00 H new ATOM 0 HE3 MET A 126 -4.957 -5.260 -10.773 1.00 0.00 H new ATOM 1970 N LEU A 127 -3.253 -1.290 -10.520 1.00 0.00 N ATOM 1971 CA LEU A 127 -3.371 -0.645 -9.221 1.00 0.00 C ATOM 1972 C LEU A 127 -3.391 0.870 -9.390 1.00 0.00 C ATOM 1973 O LEU A 127 -4.226 1.548 -8.790 1.00 0.00 O ATOM 1974 CB LEU A 127 -2.198 -1.045 -8.320 1.00 0.00 C ATOM 1975 CG LEU A 127 -2.545 -2.213 -7.394 1.00 0.00 C ATOM 1976 CD1 LEU A 127 -2.824 -3.497 -8.169 1.00 0.00 C ATOM 1977 CD2 LEU A 127 -1.386 -2.457 -6.430 1.00 0.00 C ATOM 0 H LEU A 127 -2.444 -1.903 -10.617 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.303 -0.968 -8.757 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.344 -1.318 -8.940 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.895 -0.187 -7.720 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.451 -1.944 -6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.066 -4.298 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.665 -3.339 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.941 -3.773 -8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.631 -3.289 -5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.486 -2.696 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.212 -1.560 -5.835 1.00 0.00 H new ATOM 1989 N LEU A 128 -2.477 1.408 -10.201 1.00 0.00 N ATOM 1990 CA LEU A 128 -2.366 2.845 -10.385 1.00 0.00 C ATOM 1991 C LEU A 128 -3.497 3.418 -11.236 1.00 0.00 C ATOM 1992 O LEU A 128 -3.905 4.553 -11.009 1.00 0.00 O ATOM 1993 CB LEU A 128 -1.010 3.171 -11.014 1.00 0.00 C ATOM 1994 CG LEU A 128 0.169 2.802 -10.106 1.00 0.00 C ATOM 1995 CD1 LEU A 128 1.468 3.095 -10.849 1.00 0.00 C ATOM 1996 CD2 LEU A 128 0.143 3.615 -8.811 1.00 0.00 C ATOM 0 H LEU A 128 -1.804 0.863 -10.739 1.00 0.00 H new ATOM 0 HA LEU A 128 -2.447 3.312 -9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.915 2.637 -11.960 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.967 4.236 -11.243 1.00 0.00 H new ATOM 0 HG LEU A 128 0.097 1.745 -9.851 1.00 0.00 H new ATOM 0 HD11 LEU A 128 2.316 2.837 -10.215 1.00 0.00 H new ATOM 0 HD12 LEU A 128 1.506 2.503 -11.763 1.00 0.00 H new ATOM 0 HD13 LEU A 128 1.512 4.155 -11.101 1.00 0.00 H new ATOM 0 HD21 LEU A 128 0.991 3.332 -8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.205 4.677 -9.047 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.785 3.416 -8.275 1.00 0.00 H new ATOM 2008 N ASP A 129 -4.013 2.662 -12.210 1.00 0.00 N ATOM 2009 CA ASP A 129 -5.106 3.159 -13.032 1.00 0.00 C ATOM 2010 C ASP A 129 -6.388 3.237 -12.206 1.00 0.00 C ATOM 2011 O ASP A 129 -7.194 4.148 -12.393 1.00 0.00 O ATOM 2012 CB ASP A 129 -5.280 2.262 -14.259 1.00 0.00 C ATOM 2013 CG ASP A 129 -6.332 2.834 -15.206 1.00 0.00 C ATOM 2014 OD1 ASP A 129 -6.049 3.894 -15.806 1.00 0.00 O ATOM 2015 OD2 ASP A 129 -7.411 2.213 -15.325 1.00 0.00 O ATOM 0 H ASP A 129 -3.695 1.721 -12.441 1.00 0.00 H new ATOM 0 HA ASP A 129 -4.874 4.165 -13.381 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.328 2.165 -14.782 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -5.574 1.261 -13.944 1.00 0.00 H new ATOM 2512 N PRO B 160 -7.329 -15.692 1.983 1.00 0.00 N ATOM 2513 CA PRO B 160 -7.965 -15.337 0.720 1.00 0.00 C ATOM 2514 C PRO B 160 -7.122 -14.358 -0.097 1.00 0.00 C ATOM 2515 O PRO B 160 -5.943 -14.160 0.181 1.00 0.00 O ATOM 2516 CB PRO B 160 -9.270 -14.666 1.160 1.00 0.00 C ATOM 2517 CG PRO B 160 -8.817 -13.882 2.389 1.00 0.00 C ATOM 2518 CD PRO B 160 -7.852 -14.856 3.052 1.00 0.00 C ATOM 0 HA PRO B 160 -8.106 -16.205 0.076 1.00 0.00 H new ATOM 0 HB2 PRO B 160 -9.676 -14.015 0.386 1.00 0.00 H new ATOM 0 HB3 PRO B 160 -10.044 -15.395 1.402 1.00 0.00 H new ATOM 0 HG2 PRO B 160 -8.329 -12.946 2.118 1.00 0.00 H new ATOM 0 HG3 PRO B 160 -9.653 -13.629 3.041 1.00 0.00 H new ATOM 0 HD2 PRO B 160 -7.048 -14.324 3.560 1.00 0.00 H new ATOM 0 HD3 PRO B 160 -8.361 -15.458 3.805 1.00 0.00 H new ATOM 2526 N SER B 161 -7.737 -13.744 -1.111 1.00 0.00 N ATOM 2527 CA SER B 161 -7.080 -12.808 -2.011 1.00 0.00 C ATOM 2528 C SER B 161 -7.520 -11.366 -1.748 1.00 0.00 C ATOM 2529 O SER B 161 -8.420 -11.112 -0.948 1.00 0.00 O ATOM 2530 CB SER B 161 -7.396 -13.220 -3.449 1.00 0.00 C ATOM 2531 OG SER B 161 -6.591 -12.500 -4.361 1.00 0.00 O ATOM 0 H SER B 161 -8.723 -13.890 -1.329 1.00 0.00 H new ATOM 0 HA SER B 161 -6.004 -12.842 -1.840 1.00 0.00 H new ATOM 0 HB2 SER B 161 -7.227 -14.290 -3.572 1.00 0.00 H new ATOM 0 HB3 SER B 161 -8.449 -13.037 -3.662 1.00 0.00 H new ATOM 0 HG SER B 161 -6.805 -12.777 -5.276 1.00 0.00 H new ATOM 2537 N TYR B 162 -6.875 -10.421 -2.438 1.00 0.00 N ATOM 2538 CA TYR B 162 -7.197 -9.001 -2.395 1.00 0.00 C ATOM 2539 C TYR B 162 -7.280 -8.460 -3.820 1.00 0.00 C ATOM 2540 O TYR B 162 -6.507 -8.865 -4.686 1.00 0.00 O ATOM 2541 CB TYR B 162 -6.137 -8.229 -1.605 1.00 0.00 C ATOM 2542 CG TYR B 162 -6.183 -6.728 -1.840 1.00 0.00 C ATOM 2543 CD1 TYR B 162 -5.450 -6.175 -2.903 1.00 0.00 C ATOM 2544 CD2 TYR B 162 -6.947 -5.896 -1.013 1.00 0.00 C ATOM 2545 CE1 TYR B 162 -5.484 -4.795 -3.147 1.00 0.00 C ATOM 2546 CE2 TYR B 162 -6.989 -4.513 -1.253 1.00 0.00 C ATOM 2547 CZ TYR B 162 -6.263 -3.956 -2.326 1.00 0.00 C ATOM 2548 OH TYR B 162 -6.314 -2.612 -2.573 1.00 0.00 O ATOM 0 H TYR B 162 -6.093 -10.634 -3.058 1.00 0.00 H new ATOM 0 HA TYR B 162 -8.157 -8.871 -1.895 1.00 0.00 H new ATOM 0 HB2 TYR B 162 -6.271 -8.427 -0.542 1.00 0.00 H new ATOM 0 HB3 TYR B 162 -5.149 -8.602 -1.876 1.00 0.00 H new ATOM 0 HD1 TYR B 162 -4.856 -6.817 -3.537 1.00 0.00 H new ATOM 0 HD2 TYR B 162 -7.504 -6.318 -0.190 1.00 0.00 H new ATOM 0 HE1 TYR B 162 -4.914 -4.376 -3.963 1.00 0.00 H new ATOM 0 HE2 TYR B 162 -7.579 -3.874 -0.613 1.00 0.00 H new ATOM 0 HH TYR B 162 -5.652 -2.380 -3.258 1.00 0.00 H new ATOM 2558 N SER B 163 -8.217 -7.540 -4.054 1.00 0.00 N ATOM 2559 CA SER B 163 -8.370 -6.885 -5.340 1.00 0.00 C ATOM 2560 C SER B 163 -8.219 -5.381 -5.166 1.00 0.00 C ATOM 2561 O SER B 163 -8.753 -4.808 -4.218 1.00 0.00 O ATOM 2562 CB SER B 163 -9.734 -7.198 -5.948 1.00 0.00 C ATOM 2563 OG SER B 163 -9.915 -6.379 -7.084 1.00 0.00 O ATOM 0 H SER B 163 -8.889 -7.232 -3.351 1.00 0.00 H new ATOM 0 HA SER B 163 -7.598 -7.257 -6.014 1.00 0.00 H new ATOM 0 HB2 SER B 163 -9.793 -8.250 -6.226 1.00 0.00 H new ATOM 0 HB3 SER B 163 -10.524 -7.016 -5.220 1.00 0.00 H new ATOM 0 HG SER B 163 -10.770 -5.905 -7.013 1.00 0.00 H new ATOM 2569 N PRO B 164 -7.490 -4.722 -6.075 1.00 0.00 N ATOM 2570 CA PRO B 164 -7.271 -3.293 -6.021 1.00 0.00 C ATOM 2571 C PRO B 164 -8.570 -2.527 -6.247 1.00 0.00 C ATOM 2572 O PRO B 164 -8.596 -1.315 -6.056 1.00 0.00 O ATOM 2573 CB PRO B 164 -6.257 -3.008 -7.128 1.00 0.00 C ATOM 2574 CG PRO B 164 -6.510 -4.128 -8.133 1.00 0.00 C ATOM 2575 CD PRO B 164 -6.832 -5.309 -7.226 1.00 0.00 C ATOM 0 HA PRO B 164 -6.907 -2.972 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO B 164 -6.413 -2.025 -7.573 1.00 0.00 H new ATOM 0 HB3 PRO B 164 -5.234 -3.029 -6.752 1.00 0.00 H new ATOM 0 HG2 PRO B 164 -7.336 -3.893 -8.804 1.00 0.00 H new ATOM 0 HG3 PRO B 164 -5.637 -4.320 -8.757 1.00 0.00 H new ATOM 0 HD2 PRO B 164 -7.479 -6.028 -7.728 1.00 0.00 H new ATOM 0 HD3 PRO B 164 -5.927 -5.843 -6.935 1.00 0.00 H new ATOM 2583 N THR B 165 -9.647 -3.214 -6.651 1.00 0.00 N ATOM 2584 CA THR B 165 -10.914 -2.544 -6.924 1.00 0.00 C ATOM 2585 C THR B 165 -11.629 -2.139 -5.637 1.00 0.00 C ATOM 2586 O THR B 165 -12.494 -1.264 -5.689 1.00 0.00 O ATOM 2587 CB THR B 165 -11.816 -3.439 -7.780 1.00 0.00 C ATOM 2588 OG1 THR B 165 -12.064 -4.659 -7.116 1.00 0.00 O ATOM 2589 CG2 THR B 165 -11.161 -3.724 -9.130 1.00 0.00 C ATOM 0 H THR B 165 -9.662 -4.224 -6.793 1.00 0.00 H new ATOM 0 HA THR B 165 -10.693 -1.631 -7.477 1.00 0.00 H new ATOM 0 HB THR B 165 -12.758 -2.916 -7.943 1.00 0.00 H new ATOM 0 HG1 THR B 165 -12.643 -5.222 -7.672 1.00 0.00 H new ATOM 0 HG21 THR B 165 -11.816 -4.361 -9.725 1.00 0.00 H new ATOM 0 HG22 THR B 165 -10.991 -2.785 -9.657 1.00 0.00 H new ATOM 0 HG23 THR B 165 -10.208 -4.229 -8.973 1.00 0.00 H new