USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 803 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 MET CE :methyl 178:sc= -4.47 (180deg=-3.43) USER MOD Set 1.2: A 110 ASN : amide:sc= -2.59 K(o=-7.1,f=-4.3) USER MOD Set 2.1: A 16 HIS : no HE2:sc= -2.77! C(o=-1.9!,f=-20!) USER MOD Set 2.2: A 60 SER OG : rot -82:sc= 0.835 USER MOD Set 2.3: A 90 THR OG1 : rot 112:sc= -2.11! USER MOD Set 2.4: A 92 SER OG : rot -160:sc= 0.937! USER MOD Set 2.5: A 105 THR OG1 : rot 152:sc= 1.16 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -132:sc= -3.02! USER MOD Single : A 17 ASN : amide:sc= -3.73 K(o=-3.7,f=-17!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.175 X(o=-0.17,f=0.007) USER MOD Single : A 29 CYS SG : rot 72:sc= -2.94 USER MOD Single : A 32 THR OG1 : rot 67:sc= 0.87 USER MOD Single : A 35 TYR OH : rot 110:sc= 0.122 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= 0.092 (180deg=0.00198) USER MOD Single : A 44 ASN : amide:sc= -3.95! C(o=-3.9!,f=-7.1!) USER MOD Single : A 49 CYS SG : rot -53:sc= -2.9 USER MOD Single : A 50 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-9.1!) USER MOD Single : A 54 GLN : amide:sc= -2.36! C(o=-2.4!,f=-3.7!) USER MOD Single : A 55 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.57) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0672 X(o=-0.067,f=-0.39) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= -0.0364 (180deg=-0.267) USER MOD Single : A 68 LYS NZ :NH3+ -127:sc= -0.315 (180deg=-0.71) USER MOD Single : A 70 GLN : amide:sc= -0.257 K(o=-0.26,f=-0.93) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 54:sc= -3.83! USER MOD Single : A 81 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.85) USER MOD Single : A 82 ASN : amide:sc= -1.23! K(o=-1.2!,f=-0.016) USER MOD Single : A 83 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.7) USER MOD Single : A 88 MET CE :methyl 143:sc= -8.58! (180deg=-11.5!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -2.04! K(o=-2!,f=-0.044) USER MOD Single : A 94 THR OG1 : rot 4:sc= 0.342 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 CYS SG : rot 39:sc= 1.13 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 8 -14.563 -6.911 4.899 1.00 0.00 N ATOM 91 CA GLN A 8 -14.155 -5.516 5.029 1.00 0.00 C ATOM 92 C GLN A 8 -12.647 -5.407 5.241 1.00 0.00 C ATOM 93 O GLN A 8 -12.019 -6.324 5.769 1.00 0.00 O ATOM 94 CB GLN A 8 -14.893 -4.843 6.182 1.00 0.00 C ATOM 95 CG GLN A 8 -16.405 -4.955 6.086 1.00 0.00 C ATOM 96 CD GLN A 8 -17.118 -4.217 7.203 1.00 0.00 C ATOM 97 OE1 GLN A 8 -16.620 -3.217 7.720 1.00 0.00 O ATOM 98 NE2 GLN A 8 -18.292 -4.709 7.582 1.00 0.00 N ATOM 0 HA GLN A 8 -14.413 -5.005 4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.563 -5.287 7.121 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.617 -3.789 6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.734 -4.558 5.126 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.690 -6.007 6.111 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.668 -5.540 7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.818 -4.255 8.329 1.00 0.00 H new ATOM 107 N PRO A 9 -12.049 -4.276 4.826 1.00 0.00 N ATOM 108 CA PRO A 9 -10.613 -4.035 4.949 1.00 0.00 C ATOM 109 C PRO A 9 -10.208 -3.330 6.240 1.00 0.00 C ATOM 110 O PRO A 9 -10.944 -3.314 7.226 1.00 0.00 O ATOM 111 CB PRO A 9 -10.357 -3.110 3.776 1.00 0.00 C ATOM 112 CG PRO A 9 -11.570 -2.252 3.750 1.00 0.00 C ATOM 113 CD PRO A 9 -12.719 -3.138 4.169 1.00 0.00 C ATOM 0 HA PRO A 9 -10.049 -4.968 4.961 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.450 -2.522 3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.235 -3.664 2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.463 -1.406 4.428 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.737 -1.843 2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.397 -2.623 4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.312 -3.460 3.313 1.00 0.00 H new ATOM 121 N THR A 10 -9.015 -2.740 6.187 1.00 0.00 N ATOM 122 CA THR A 10 -8.420 -2.005 7.298 1.00 0.00 C ATOM 123 C THR A 10 -6.970 -1.688 6.950 1.00 0.00 C ATOM 124 O THR A 10 -6.483 -0.579 7.160 1.00 0.00 O ATOM 125 CB THR A 10 -8.464 -2.806 8.615 1.00 0.00 C ATOM 126 OG1 THR A 10 -7.721 -2.125 9.632 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.903 -4.202 8.419 1.00 0.00 C ATOM 0 H THR A 10 -8.425 -2.761 5.355 1.00 0.00 H new ATOM 0 HA THR A 10 -8.996 -1.092 7.450 1.00 0.00 H new ATOM 0 HB THR A 10 -9.506 -2.891 8.925 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.757 -2.641 10.464 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.945 -4.747 9.362 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.493 -4.729 7.669 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.868 -4.134 8.085 1.00 0.00 H new ATOM 135 N GLU A 11 -6.302 -2.700 6.410 1.00 0.00 N ATOM 136 CA GLU A 11 -4.915 -2.606 5.974 1.00 0.00 C ATOM 137 C GLU A 11 -4.571 -3.839 5.168 1.00 0.00 C ATOM 138 O GLU A 11 -4.933 -4.954 5.543 1.00 0.00 O ATOM 139 CB GLU A 11 -3.960 -2.480 7.154 1.00 0.00 C ATOM 140 CG GLU A 11 -4.069 -3.621 8.144 1.00 0.00 C ATOM 141 CD GLU A 11 -3.072 -3.510 9.281 1.00 0.00 C ATOM 142 OE1 GLU A 11 -3.389 -2.833 10.283 1.00 0.00 O ATOM 143 OE2 GLU A 11 -1.977 -4.099 9.171 1.00 0.00 O ATOM 0 H GLU A 11 -6.714 -3.621 6.261 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.805 -1.709 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.937 -2.431 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.156 -1.541 7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.079 -3.645 8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.914 -4.565 7.622 1.00 0.00 H new ATOM 150 N PHE A 12 -3.880 -3.646 4.062 1.00 0.00 N ATOM 151 CA PHE A 12 -3.503 -4.771 3.227 1.00 0.00 C ATOM 152 C PHE A 12 -2.002 -4.793 3.024 1.00 0.00 C ATOM 153 O PHE A 12 -1.391 -3.793 2.648 1.00 0.00 O ATOM 154 CB PHE A 12 -4.265 -4.769 1.892 1.00 0.00 C ATOM 155 CG PHE A 12 -3.786 -3.779 0.865 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.765 -4.112 -0.011 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.384 -2.534 0.749 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.349 -3.223 -0.980 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.968 -1.637 -0.215 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.949 -1.985 -1.083 1.00 0.00 C ATOM 0 H PHE A 12 -3.571 -2.735 3.723 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.786 -5.689 3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.206 -5.768 1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.317 -4.571 2.096 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.290 -5.079 0.066 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.185 -2.262 1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.554 -3.496 -1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.437 -0.667 -0.291 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.623 -1.288 -1.841 1.00 0.00 H new ATOM 170 N ILE A 13 -1.415 -5.947 3.295 1.00 0.00 N ATOM 171 CA ILE A 13 0.017 -6.118 3.180 1.00 0.00 C ATOM 172 C ILE A 13 0.444 -6.379 1.746 1.00 0.00 C ATOM 173 O ILE A 13 0.238 -7.466 1.216 1.00 0.00 O ATOM 174 CB ILE A 13 0.507 -7.281 4.053 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.004 -7.122 5.489 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.022 -7.349 4.017 1.00 0.00 C ATOM 177 CD1 ILE A 13 -0.334 -8.436 6.156 1.00 0.00 C ATOM 0 H ILE A 13 -1.916 -6.783 3.598 1.00 0.00 H new ATOM 0 HA ILE A 13 0.465 -5.184 3.520 1.00 0.00 H new ATOM 0 HB ILE A 13 0.106 -8.214 3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.765 -6.609 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.881 -6.486 5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.364 -8.177 4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.355 -7.504 2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.437 -6.415 4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.684 -8.249 7.171 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.116 -8.941 5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.555 -9.067 6.189 1.00 0.00 H new ATOM 189 N SER A 14 1.039 -5.376 1.125 1.00 0.00 N ATOM 190 CA SER A 14 1.523 -5.518 -0.235 1.00 0.00 C ATOM 191 C SER A 14 3.026 -5.343 -0.254 1.00 0.00 C ATOM 192 O SER A 14 3.554 -4.341 0.231 1.00 0.00 O ATOM 193 CB SER A 14 0.864 -4.487 -1.150 1.00 0.00 C ATOM 194 OG SER A 14 0.757 -4.977 -2.472 1.00 0.00 O ATOM 0 H SER A 14 1.198 -4.458 1.540 1.00 0.00 H new ATOM 0 HA SER A 14 1.267 -6.513 -0.600 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.127 -4.238 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.447 -3.566 -1.146 1.00 0.00 H new ATOM 0 HG SER A 14 1.079 -4.297 -3.100 1.00 0.00 H new ATOM 200 N ARG A 15 3.707 -6.319 -0.819 1.00 0.00 N ATOM 201 CA ARG A 15 5.144 -6.272 -0.924 1.00 0.00 C ATOM 202 C ARG A 15 5.506 -5.682 -2.263 1.00 0.00 C ATOM 203 O ARG A 15 4.682 -5.671 -3.176 1.00 0.00 O ATOM 204 CB ARG A 15 5.747 -7.664 -0.762 1.00 0.00 C ATOM 205 CG ARG A 15 5.896 -8.090 0.689 1.00 0.00 C ATOM 206 CD ARG A 15 6.454 -9.497 0.809 1.00 0.00 C ATOM 207 NE ARG A 15 5.531 -10.501 0.284 1.00 0.00 N ATOM 208 CZ ARG A 15 5.216 -11.622 0.925 1.00 0.00 C ATOM 209 NH1 ARG A 15 5.741 -11.881 2.117 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.373 -12.486 0.376 1.00 0.00 N ATOM 0 H ARG A 15 3.282 -7.158 -1.214 1.00 0.00 H new ATOM 0 HA ARG A 15 5.550 -5.650 -0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.119 -8.387 -1.283 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.725 -7.687 -1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.554 -7.392 1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.926 -8.040 1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.400 -9.558 0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.668 -9.714 1.856 1.00 0.00 H new ATOM 0 HE ARG A 15 5.104 -10.332 -0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.389 -11.219 2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.497 -12.742 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.966 -12.290 -0.539 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.132 -13.346 0.868 1.00 0.00 H new ATOM 224 N HIS A 16 6.718 -5.181 -2.384 1.00 0.00 N ATOM 225 CA HIS A 16 7.141 -4.570 -3.628 1.00 0.00 C ATOM 226 C HIS A 16 8.630 -4.267 -3.610 1.00 0.00 C ATOM 227 O HIS A 16 9.307 -4.477 -2.605 1.00 0.00 O ATOM 228 CB HIS A 16 6.365 -3.271 -3.829 1.00 0.00 C ATOM 229 CG HIS A 16 6.559 -2.308 -2.705 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.796 -1.814 -2.361 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.681 -1.763 -1.830 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.677 -1.010 -1.327 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.402 -0.959 -0.986 1.00 0.00 N ATOM 0 H HIS A 16 7.421 -5.184 -1.645 1.00 0.00 H new ATOM 0 HA HIS A 16 6.943 -5.265 -4.444 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.681 -2.804 -4.762 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.304 -3.498 -3.930 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.671 -2.037 -2.835 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.614 -1.930 -1.802 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.484 -0.482 -0.840 1.00 0.00 H new ATOM 242 N ASN A 17 9.132 -3.771 -4.732 1.00 0.00 N ATOM 243 CA ASN A 17 10.533 -3.401 -4.833 1.00 0.00 C ATOM 244 C ASN A 17 10.687 -1.947 -4.403 1.00 0.00 C ATOM 245 O ASN A 17 9.693 -1.287 -4.108 1.00 0.00 O ATOM 246 CB ASN A 17 11.045 -3.588 -6.264 1.00 0.00 C ATOM 247 CG ASN A 17 10.212 -2.837 -7.284 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.422 -1.962 -6.936 1.00 0.00 O ATOM 249 ND2 ASN A 17 10.400 -3.165 -8.556 1.00 0.00 N ATOM 0 H ASN A 17 8.590 -3.616 -5.582 1.00 0.00 H new ATOM 0 HA ASN A 17 11.124 -4.046 -4.182 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.079 -3.248 -6.323 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.044 -4.650 -6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.878 -2.684 -9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.066 -3.898 -8.801 1.00 0.00 H new ATOM 256 N ILE A 18 11.910 -1.441 -4.367 1.00 0.00 N ATOM 257 CA ILE A 18 12.123 -0.056 -3.966 1.00 0.00 C ATOM 258 C ILE A 18 11.237 0.887 -4.780 1.00 0.00 C ATOM 259 O ILE A 18 10.720 1.876 -4.260 1.00 0.00 O ATOM 260 CB ILE A 18 13.587 0.372 -4.138 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.774 1.804 -3.632 1.00 0.00 C ATOM 262 CG2 ILE A 18 14.001 0.245 -5.596 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.439 1.982 -2.169 1.00 0.00 C ATOM 0 H ILE A 18 12.757 -1.956 -4.606 1.00 0.00 H new ATOM 0 HA ILE A 18 11.861 0.007 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 18 14.227 -0.284 -3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.808 2.106 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.148 2.473 -4.223 1.00 0.00 H new ATOM 0 HG21 ILE A 18 15.041 0.551 -5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.892 -0.791 -5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.367 0.884 -6.211 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.596 3.022 -1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.397 1.712 -1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.083 1.340 -1.568 1.00 0.00 H new ATOM 275 N GLU A 19 11.069 0.563 -6.058 1.00 0.00 N ATOM 276 CA GLU A 19 10.241 1.367 -6.958 1.00 0.00 C ATOM 277 C GLU A 19 8.823 1.448 -6.432 1.00 0.00 C ATOM 278 O GLU A 19 8.137 2.458 -6.588 1.00 0.00 O ATOM 279 CB GLU A 19 10.185 0.736 -8.352 1.00 0.00 C ATOM 280 CG GLU A 19 11.338 1.099 -9.264 1.00 0.00 C ATOM 281 CD GLU A 19 11.544 2.596 -9.385 1.00 0.00 C ATOM 282 OE1 GLU A 19 10.917 3.213 -10.273 1.00 0.00 O ATOM 283 OE2 GLU A 19 12.331 3.154 -8.591 1.00 0.00 O ATOM 0 H GLU A 19 11.496 -0.253 -6.497 1.00 0.00 H new ATOM 0 HA GLU A 19 10.686 2.360 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.155 -0.348 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.253 1.034 -8.833 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.252 0.641 -8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.157 0.681 -10.254 1.00 0.00 H new ATOM 290 N GLY A 20 8.404 0.367 -5.802 1.00 0.00 N ATOM 291 CA GLY A 20 7.064 0.284 -5.278 1.00 0.00 C ATOM 292 C GLY A 20 6.262 -0.773 -6.003 1.00 0.00 C ATOM 293 O GLY A 20 5.146 -1.104 -5.602 1.00 0.00 O ATOM 0 H GLY A 20 8.976 -0.463 -5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.100 0.052 -4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.571 1.251 -5.377 1.00 0.00 H new ATOM 297 N ILE A 21 6.837 -1.301 -7.087 1.00 0.00 N ATOM 298 CA ILE A 21 6.192 -2.334 -7.870 1.00 0.00 C ATOM 299 C ILE A 21 5.826 -3.513 -6.990 1.00 0.00 C ATOM 300 O ILE A 21 6.698 -4.209 -6.475 1.00 0.00 O ATOM 301 CB ILE A 21 7.097 -2.832 -8.989 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.744 -1.643 -9.715 1.00 0.00 C ATOM 303 CG2 ILE A 21 6.282 -3.712 -9.923 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.804 -0.856 -10.599 1.00 0.00 C ATOM 0 H ILE A 21 7.754 -1.021 -7.436 1.00 0.00 H new ATOM 0 HA ILE A 21 5.294 -1.894 -8.305 1.00 0.00 H new ATOM 0 HB ILE A 21 7.912 -3.432 -8.584 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.171 -0.970 -8.972 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.570 -2.012 -10.323 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.919 -4.075 -10.729 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.882 -4.560 -9.367 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.460 -3.133 -10.343 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.348 -0.037 -11.070 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.395 -1.510 -11.369 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.990 -0.452 -9.996 1.00 0.00 H new ATOM 316 N PHE A 22 4.538 -3.756 -6.872 1.00 0.00 N ATOM 317 CA PHE A 22 4.028 -4.812 -6.020 1.00 0.00 C ATOM 318 C PHE A 22 4.510 -6.201 -6.414 1.00 0.00 C ATOM 319 O PHE A 22 4.113 -6.746 -7.440 1.00 0.00 O ATOM 320 CB PHE A 22 2.512 -4.776 -6.043 1.00 0.00 C ATOM 321 CG PHE A 22 1.920 -3.640 -5.254 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.456 -3.252 -4.033 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.818 -2.964 -5.734 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.893 -2.206 -3.319 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.253 -1.928 -5.029 1.00 0.00 C ATOM 326 CZ PHE A 22 0.789 -1.547 -3.823 1.00 0.00 C ATOM 0 H PHE A 22 3.815 -3.229 -7.362 1.00 0.00 H new ATOM 0 HA PHE A 22 4.413 -4.626 -5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.175 -4.702 -7.077 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.129 -5.718 -5.649 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.318 -3.769 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.391 -3.254 -6.682 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.316 -1.907 -2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.611 -1.414 -5.423 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.347 -0.732 -3.269 1.00 0.00 H new ATOM 336 N THR A 23 5.369 -6.765 -5.580 1.00 0.00 N ATOM 337 CA THR A 23 5.863 -8.110 -5.791 1.00 0.00 C ATOM 338 C THR A 23 4.908 -9.079 -5.102 1.00 0.00 C ATOM 339 O THR A 23 5.047 -10.299 -5.187 1.00 0.00 O ATOM 340 CB THR A 23 7.287 -8.277 -5.236 1.00 0.00 C ATOM 341 OG1 THR A 23 7.293 -8.073 -3.818 1.00 0.00 O ATOM 342 CG2 THR A 23 8.225 -7.285 -5.905 1.00 0.00 C ATOM 0 H THR A 23 5.738 -6.307 -4.747 1.00 0.00 H new ATOM 0 HA THR A 23 5.909 -8.316 -6.860 1.00 0.00 H new ATOM 0 HB THR A 23 7.629 -9.290 -5.448 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.205 -8.184 -3.475 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.232 -7.410 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.236 -7.463 -6.980 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.881 -6.270 -5.709 1.00 0.00 H new ATOM 350 N PHE A 24 3.930 -8.484 -4.415 1.00 0.00 N ATOM 351 CA PHE A 24 2.894 -9.210 -3.695 1.00 0.00 C ATOM 352 C PHE A 24 1.852 -8.227 -3.173 1.00 0.00 C ATOM 353 O PHE A 24 2.167 -7.080 -2.876 1.00 0.00 O ATOM 354 CB PHE A 24 3.475 -10.007 -2.524 1.00 0.00 C ATOM 355 CG PHE A 24 2.428 -10.480 -1.546 1.00 0.00 C ATOM 356 CD1 PHE A 24 1.768 -11.682 -1.742 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.091 -9.711 -0.440 1.00 0.00 C ATOM 358 CE1 PHE A 24 0.796 -12.110 -0.855 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.118 -10.131 0.447 1.00 0.00 C ATOM 360 CZ PHE A 24 0.471 -11.332 0.240 1.00 0.00 C ATOM 0 H PHE A 24 3.839 -7.470 -4.345 1.00 0.00 H new ATOM 0 HA PHE A 24 2.433 -9.914 -4.388 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.015 -10.870 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.201 -9.388 -1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.015 -12.293 -2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.596 -8.772 -0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.292 -13.051 -1.018 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.864 -9.520 1.301 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.288 -11.664 0.933 1.00 0.00 H new ATOM 370 N VAL A 25 0.605 -8.668 -3.106 1.00 0.00 N ATOM 371 CA VAL A 25 -0.477 -7.845 -2.591 1.00 0.00 C ATOM 372 C VAL A 25 -1.460 -8.710 -1.827 1.00 0.00 C ATOM 373 O VAL A 25 -1.960 -9.710 -2.336 1.00 0.00 O ATOM 374 CB VAL A 25 -1.230 -7.086 -3.705 1.00 0.00 C ATOM 375 CG1 VAL A 25 -2.023 -5.931 -3.123 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.277 -6.588 -4.771 1.00 0.00 C ATOM 0 H VAL A 25 0.317 -9.600 -3.405 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.026 -7.102 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.924 -7.785 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.546 -5.409 -3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.748 -6.313 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.345 -5.240 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.837 -6.058 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.451 -5.912 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.243 -7.435 -5.219 1.00 0.00 H new ATOM 386 N ASP A 26 -1.703 -8.329 -0.592 1.00 0.00 N ATOM 387 CA ASP A 26 -2.621 -9.051 0.267 1.00 0.00 C ATOM 388 C ASP A 26 -4.057 -8.874 -0.236 1.00 0.00 C ATOM 389 O ASP A 26 -4.470 -7.769 -0.581 1.00 0.00 O ATOM 390 CB ASP A 26 -2.436 -8.557 1.698 1.00 0.00 C ATOM 391 CG ASP A 26 -3.641 -8.809 2.581 1.00 0.00 C ATOM 392 OD1 ASP A 26 -4.213 -9.916 2.504 1.00 0.00 O ATOM 393 OD2 ASP A 26 -4.010 -7.901 3.354 1.00 0.00 O ATOM 0 H ASP A 26 -1.273 -7.514 -0.155 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.412 -10.121 0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.566 -9.048 2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.224 -7.488 1.681 1.00 0.00 H new ATOM 398 N HIS A 27 -4.802 -9.980 -0.283 1.00 0.00 N ATOM 399 CA HIS A 27 -6.179 -9.989 -0.793 1.00 0.00 C ATOM 400 C HIS A 27 -7.085 -8.936 -0.150 1.00 0.00 C ATOM 401 O HIS A 27 -8.184 -8.690 -0.646 1.00 0.00 O ATOM 402 CB HIS A 27 -6.795 -11.379 -0.630 1.00 0.00 C ATOM 403 CG HIS A 27 -7.145 -11.727 0.783 1.00 0.00 C ATOM 404 ND1 HIS A 27 -8.441 -11.920 1.212 1.00 0.00 N ATOM 405 CD2 HIS A 27 -6.359 -11.923 1.869 1.00 0.00 C ATOM 406 CE1 HIS A 27 -8.438 -12.217 2.499 1.00 0.00 C ATOM 407 NE2 HIS A 27 -7.187 -12.226 2.920 1.00 0.00 N ATOM 0 H HIS A 27 -4.471 -10.893 0.030 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.110 -9.729 -1.849 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.695 -11.441 -1.242 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.096 -12.122 -1.014 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.282 -11.854 1.901 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.310 -12.418 3.104 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.885 -12.426 3.873 1.00 0.00 H new ATOM 416 N ARG A 28 -6.654 -8.324 0.943 1.00 0.00 N ATOM 417 CA ARG A 28 -7.467 -7.297 1.588 1.00 0.00 C ATOM 418 C ARG A 28 -7.565 -6.074 0.685 1.00 0.00 C ATOM 419 O ARG A 28 -8.515 -5.297 0.762 1.00 0.00 O ATOM 420 CB ARG A 28 -6.883 -6.896 2.944 1.00 0.00 C ATOM 421 CG ARG A 28 -7.265 -7.837 4.073 1.00 0.00 C ATOM 422 CD ARG A 28 -7.670 -7.065 5.319 1.00 0.00 C ATOM 423 NE ARG A 28 -8.153 -7.949 6.377 1.00 0.00 N ATOM 424 CZ ARG A 28 -9.113 -7.617 7.234 1.00 0.00 C ATOM 425 NH1 ARG A 28 -9.693 -6.427 7.156 1.00 0.00 N ATOM 426 NH2 ARG A 28 -9.495 -8.476 8.170 1.00 0.00 N ATOM 0 H ARG A 28 -5.761 -8.514 1.398 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.462 -7.709 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.796 -6.859 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.220 -5.889 3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.088 -8.476 3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.425 -8.491 4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.817 -6.494 5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.449 -6.346 5.063 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.730 -8.873 6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.403 -5.764 6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.430 -6.174 7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.052 -9.393 8.233 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.232 -8.220 8.827 1.00 0.00 H new ATOM 440 N CYS A 29 -6.559 -5.924 -0.165 1.00 0.00 N ATOM 441 CA CYS A 29 -6.461 -4.813 -1.094 1.00 0.00 C ATOM 442 C CYS A 29 -7.731 -4.596 -1.914 1.00 0.00 C ATOM 443 O CYS A 29 -7.988 -3.487 -2.362 1.00 0.00 O ATOM 444 CB CYS A 29 -5.289 -5.059 -2.031 1.00 0.00 C ATOM 445 SG CYS A 29 -5.499 -6.493 -3.103 1.00 0.00 S ATOM 0 H CYS A 29 -5.780 -6.579 -0.228 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.313 -3.909 -0.503 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.139 -4.174 -2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.384 -5.190 -1.438 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.395 -6.231 -4.007 1.00 0.00 H new ATOM 451 N VAL A 30 -8.519 -5.637 -2.142 1.00 0.00 N ATOM 452 CA VAL A 30 -9.737 -5.463 -2.927 1.00 0.00 C ATOM 453 C VAL A 30 -10.827 -4.794 -2.087 1.00 0.00 C ATOM 454 O VAL A 30 -11.659 -4.060 -2.605 1.00 0.00 O ATOM 455 CB VAL A 30 -10.247 -6.790 -3.535 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.231 -7.904 -3.344 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.589 -7.176 -2.952 1.00 0.00 C ATOM 0 H VAL A 30 -8.347 -6.585 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.486 -4.811 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.379 -6.636 -4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.615 -8.826 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.296 -7.632 -3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.052 -8.054 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.923 -8.113 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.495 -7.301 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.317 -6.393 -3.165 1.00 0.00 H new ATOM 467 N ALA A 31 -10.845 -5.080 -0.795 1.00 0.00 N ATOM 468 CA ALA A 31 -11.815 -4.457 0.092 1.00 0.00 C ATOM 469 C ALA A 31 -11.328 -3.070 0.479 1.00 0.00 C ATOM 470 O ALA A 31 -12.115 -2.166 0.759 1.00 0.00 O ATOM 471 CB ALA A 31 -12.026 -5.303 1.331 1.00 0.00 C ATOM 0 H ALA A 31 -10.206 -5.733 -0.340 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.769 -4.373 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.755 -4.820 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.394 -6.287 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.081 -5.412 1.863 1.00 0.00 H new ATOM 477 N THR A 32 -10.010 -2.923 0.457 1.00 0.00 N ATOM 478 CA THR A 32 -9.341 -1.683 0.829 1.00 0.00 C ATOM 479 C THR A 32 -9.321 -0.661 -0.302 1.00 0.00 C ATOM 480 O THR A 32 -9.830 0.450 -0.157 1.00 0.00 O ATOM 481 CB THR A 32 -7.889 -1.988 1.215 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.841 -3.087 2.132 1.00 0.00 O ATOM 483 CG2 THR A 32 -7.226 -0.780 1.833 1.00 0.00 C ATOM 0 H THR A 32 -9.370 -3.667 0.178 1.00 0.00 H new ATOM 0 HA THR A 32 -9.901 -1.259 1.662 1.00 0.00 H new ATOM 0 HB THR A 32 -7.348 -2.252 0.306 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.130 -3.905 1.677 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.197 -1.025 2.097 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.231 0.043 1.119 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.770 -0.485 2.730 1.00 0.00 H new ATOM 491 N VAL A 33 -8.728 -1.044 -1.425 1.00 0.00 N ATOM 492 CA VAL A 33 -8.616 -0.159 -2.571 1.00 0.00 C ATOM 493 C VAL A 33 -9.372 -0.701 -3.773 1.00 0.00 C ATOM 494 O VAL A 33 -9.228 -0.201 -4.883 1.00 0.00 O ATOM 495 CB VAL A 33 -7.143 0.073 -2.937 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.438 0.779 -1.796 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.459 -1.241 -3.246 1.00 0.00 C ATOM 0 H VAL A 33 -8.316 -1.967 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.066 0.793 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.095 0.700 -3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.393 0.942 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.919 1.739 -1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.494 0.164 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.416 -1.057 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.508 -1.891 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.960 -1.723 -4.085 1.00 0.00 H new ATOM 507 N GLY A 34 -10.155 -1.747 -3.548 1.00 0.00 N ATOM 508 CA GLY A 34 -10.955 -2.322 -4.627 1.00 0.00 C ATOM 509 C GLY A 34 -10.141 -3.137 -5.608 1.00 0.00 C ATOM 510 O GLY A 34 -10.653 -4.074 -6.221 1.00 0.00 O ATOM 0 H GLY A 34 -10.255 -2.210 -2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.732 -2.954 -4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.459 -1.518 -5.164 1.00 0.00 H new ATOM 514 N TYR A 35 -8.876 -2.786 -5.752 1.00 0.00 N ATOM 515 CA TYR A 35 -7.990 -3.475 -6.673 1.00 0.00 C ATOM 516 C TYR A 35 -7.591 -4.838 -6.135 1.00 0.00 C ATOM 517 O TYR A 35 -6.954 -4.929 -5.085 1.00 0.00 O ATOM 518 CB TYR A 35 -6.740 -2.641 -6.891 1.00 0.00 C ATOM 519 CG TYR A 35 -7.029 -1.332 -7.560 1.00 0.00 C ATOM 520 CD1 TYR A 35 -7.654 -1.295 -8.790 1.00 0.00 C ATOM 521 CD2 TYR A 35 -6.688 -0.139 -6.958 1.00 0.00 C ATOM 522 CE1 TYR A 35 -7.936 -0.105 -9.409 1.00 0.00 C ATOM 523 CE2 TYR A 35 -6.962 1.064 -7.569 1.00 0.00 C ATOM 524 CZ TYR A 35 -7.587 1.079 -8.798 1.00 0.00 C ATOM 525 OH TYR A 35 -7.864 2.277 -9.415 1.00 0.00 O ATOM 0 H TYR A 35 -8.436 -2.022 -5.239 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.520 -3.616 -7.615 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.260 -2.455 -5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.032 -3.206 -7.497 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.926 -2.221 -9.274 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.200 -0.149 -5.995 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.429 -0.096 -10.370 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.689 1.992 -7.088 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.579 2.738 -8.928 1.00 0.00 H new ATOM 535 N GLN A 36 -7.967 -5.899 -6.840 1.00 0.00 N ATOM 536 CA GLN A 36 -7.602 -7.237 -6.418 1.00 0.00 C ATOM 537 C GLN A 36 -6.082 -7.321 -6.325 1.00 0.00 C ATOM 538 O GLN A 36 -5.390 -6.526 -6.958 1.00 0.00 O ATOM 539 CB GLN A 36 -8.134 -8.276 -7.407 1.00 0.00 C ATOM 540 CG GLN A 36 -9.567 -8.023 -7.844 1.00 0.00 C ATOM 541 CD GLN A 36 -10.050 -9.032 -8.868 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.263 -9.570 -9.647 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.352 -9.290 -8.877 1.00 0.00 N ATOM 0 H GLN A 36 -8.519 -5.856 -7.697 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.043 -7.447 -5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.492 -8.289 -8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.071 -9.264 -6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.220 -8.055 -6.972 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.644 -7.020 -8.263 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.969 -8.822 -8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.735 -9.957 -9.547 1.00 0.00 H new ATOM 552 N PRO A 37 -5.528 -8.253 -5.534 1.00 0.00 N ATOM 553 CA PRO A 37 -4.086 -8.372 -5.403 1.00 0.00 C ATOM 554 C PRO A 37 -3.386 -8.357 -6.751 1.00 0.00 C ATOM 555 O PRO A 37 -2.325 -7.758 -6.895 1.00 0.00 O ATOM 556 CB PRO A 37 -3.874 -9.708 -4.712 1.00 0.00 C ATOM 557 CG PRO A 37 -5.183 -10.127 -4.148 1.00 0.00 C ATOM 558 CD PRO A 37 -6.251 -9.232 -4.713 1.00 0.00 C ATOM 0 HA PRO A 37 -3.668 -7.533 -4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.504 -10.451 -5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.127 -9.618 -3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.388 -11.168 -4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.167 -10.058 -3.060 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.965 -9.798 -5.311 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.816 -8.742 -3.920 1.00 0.00 H new ATOM 566 N GLN A 38 -3.986 -9.016 -7.737 1.00 0.00 N ATOM 567 CA GLN A 38 -3.414 -9.062 -9.076 1.00 0.00 C ATOM 568 C GLN A 38 -3.525 -7.697 -9.748 1.00 0.00 C ATOM 569 O GLN A 38 -2.678 -7.320 -10.558 1.00 0.00 O ATOM 570 CB GLN A 38 -4.111 -10.120 -9.919 1.00 0.00 C ATOM 571 CG GLN A 38 -5.612 -9.956 -9.932 1.00 0.00 C ATOM 572 CD GLN A 38 -6.262 -10.539 -11.166 1.00 0.00 C ATOM 573 OE1 GLN A 38 -6.602 -11.722 -11.204 1.00 0.00 O ATOM 574 NE2 GLN A 38 -6.444 -9.712 -12.185 1.00 0.00 N ATOM 0 H GLN A 38 -4.865 -9.523 -7.634 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.360 -9.326 -8.990 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.735 -10.071 -10.941 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.861 -11.109 -9.534 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.031 -10.435 -9.047 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.856 -8.896 -9.867 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.147 -8.739 -12.111 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.881 -10.048 -13.043 1.00 0.00 H new ATOM 583 N GLU A 39 -4.580 -6.964 -9.402 1.00 0.00 N ATOM 584 CA GLU A 39 -4.807 -5.635 -9.951 1.00 0.00 C ATOM 585 C GLU A 39 -3.763 -4.657 -9.434 1.00 0.00 C ATOM 586 O GLU A 39 -3.675 -3.521 -9.896 1.00 0.00 O ATOM 587 CB GLU A 39 -6.195 -5.143 -9.585 1.00 0.00 C ATOM 588 CG GLU A 39 -7.040 -4.781 -10.795 1.00 0.00 C ATOM 589 CD GLU A 39 -6.235 -4.559 -12.065 1.00 0.00 C ATOM 590 OE1 GLU A 39 -5.740 -3.428 -12.264 1.00 0.00 O ATOM 591 OE2 GLU A 39 -6.100 -5.514 -12.857 1.00 0.00 O ATOM 0 H GLU A 39 -5.293 -7.272 -8.741 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.725 -5.696 -11.036 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.707 -5.915 -9.010 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.105 -4.270 -8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.765 -5.576 -10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.606 -3.877 -10.573 1.00 0.00 H new ATOM 598 N LEU A 40 -2.978 -5.112 -8.464 1.00 0.00 N ATOM 599 CA LEU A 40 -1.937 -4.294 -7.867 1.00 0.00 C ATOM 600 C LEU A 40 -0.566 -4.864 -8.201 1.00 0.00 C ATOM 601 O LEU A 40 0.382 -4.130 -8.466 1.00 0.00 O ATOM 602 CB LEU A 40 -2.123 -4.256 -6.352 1.00 0.00 C ATOM 603 CG LEU A 40 -2.892 -3.066 -5.765 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.279 -2.039 -6.822 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.121 -3.576 -5.041 1.00 0.00 C ATOM 0 H LEU A 40 -3.047 -6.052 -8.074 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.006 -3.283 -8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.637 -5.170 -6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.136 -4.280 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.233 -2.553 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.821 -1.219 -6.351 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.379 -1.652 -7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.914 -2.510 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.672 -2.734 -4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.759 -4.114 -5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.818 -4.247 -4.238 1.00 0.00 H new ATOM 617 N LEU A 41 -0.486 -6.184 -8.196 1.00 0.00 N ATOM 618 CA LEU A 41 0.750 -6.895 -8.480 1.00 0.00 C ATOM 619 C LEU A 41 1.376 -6.434 -9.791 1.00 0.00 C ATOM 620 O LEU A 41 0.715 -6.380 -10.828 1.00 0.00 O ATOM 621 CB LEU A 41 0.472 -8.397 -8.521 1.00 0.00 C ATOM 622 CG LEU A 41 0.518 -9.098 -7.162 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.488 -10.239 -7.102 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.926 -9.605 -6.878 1.00 0.00 C ATOM 0 H LEU A 41 -1.278 -6.794 -7.994 1.00 0.00 H new ATOM 0 HA LEU A 41 1.463 -6.675 -7.686 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.511 -8.558 -8.963 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.200 -8.869 -9.182 1.00 0.00 H new ATOM 0 HG LEU A 41 0.247 -8.374 -6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.435 -10.720 -6.125 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.493 -9.847 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.258 -10.968 -7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.945 -10.102 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.222 -10.312 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.620 -8.765 -6.869 1.00 0.00 H new ATOM 636 N GLY A 42 2.660 -6.104 -9.725 1.00 0.00 N ATOM 637 CA GLY A 42 3.380 -5.649 -10.895 1.00 0.00 C ATOM 638 C GLY A 42 3.192 -4.169 -11.145 1.00 0.00 C ATOM 639 O GLY A 42 3.814 -3.596 -12.039 1.00 0.00 O ATOM 0 H GLY A 42 3.218 -6.145 -8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.442 -5.862 -10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.042 -6.208 -11.767 1.00 0.00 H new ATOM 643 N LYS A 43 2.330 -3.551 -10.348 1.00 0.00 N ATOM 644 CA LYS A 43 2.054 -2.130 -10.476 1.00 0.00 C ATOM 645 C LYS A 43 2.782 -1.335 -9.417 1.00 0.00 C ATOM 646 O LYS A 43 2.882 -1.753 -8.264 1.00 0.00 O ATOM 647 CB LYS A 43 0.560 -1.856 -10.343 1.00 0.00 C ATOM 648 CG LYS A 43 -0.297 -2.741 -11.213 1.00 0.00 C ATOM 649 CD LYS A 43 -1.550 -2.024 -11.679 1.00 0.00 C ATOM 650 CE LYS A 43 -2.004 -2.523 -13.041 1.00 0.00 C ATOM 651 NZ LYS A 43 -3.209 -1.795 -13.528 1.00 0.00 N ATOM 0 H LYS A 43 1.809 -4.015 -9.604 1.00 0.00 H new ATOM 0 HA LYS A 43 2.401 -1.824 -11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.266 -1.990 -9.302 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.366 -0.814 -10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.279 -3.068 -12.079 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.575 -3.637 -10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.348 -2.173 -10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.360 -0.952 -11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.193 -2.404 -13.760 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.224 -3.589 -12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.224 -1.806 -14.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.066 -2.259 -13.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.179 -0.811 -13.192 1.00 0.00 H new ATOM 665 N ASN A 44 3.287 -0.185 -9.817 1.00 0.00 N ATOM 666 CA ASN A 44 3.979 0.695 -8.895 1.00 0.00 C ATOM 667 C ASN A 44 2.974 1.253 -7.900 1.00 0.00 C ATOM 668 O ASN A 44 2.033 1.948 -8.274 1.00 0.00 O ATOM 669 CB ASN A 44 4.664 1.829 -9.659 1.00 0.00 C ATOM 670 CG ASN A 44 5.726 2.529 -8.844 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.432 3.425 -8.058 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.970 2.135 -9.051 1.00 0.00 N ATOM 0 H ASN A 44 3.231 0.162 -10.774 1.00 0.00 H new ATOM 0 HA ASN A 44 4.747 0.137 -8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.115 1.428 -10.567 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.914 2.556 -9.970 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.737 2.580 -8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.164 1.385 -9.715 1.00 0.00 H new ATOM 679 N ILE A 45 3.163 0.909 -6.636 1.00 0.00 N ATOM 680 CA ILE A 45 2.285 1.357 -5.574 1.00 0.00 C ATOM 681 C ILE A 45 2.031 2.860 -5.645 1.00 0.00 C ATOM 682 O ILE A 45 0.904 3.319 -5.460 1.00 0.00 O ATOM 683 CB ILE A 45 2.895 1.007 -4.210 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.963 1.407 -3.075 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.236 1.684 -4.062 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.495 1.058 -1.701 1.00 0.00 C ATOM 0 H ILE A 45 3.928 0.313 -6.321 1.00 0.00 H new ATOM 0 HA ILE A 45 1.330 0.846 -5.699 1.00 0.00 H new ATOM 0 HB ILE A 45 3.035 -0.073 -4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.785 2.481 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.000 0.917 -3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.665 1.433 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.904 1.345 -4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.108 2.764 -4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.778 1.373 -0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.647 -0.019 -1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.444 1.569 -1.538 1.00 0.00 H new ATOM 698 N VAL A 46 3.081 3.623 -5.932 1.00 0.00 N ATOM 699 CA VAL A 46 2.962 5.071 -6.008 1.00 0.00 C ATOM 700 C VAL A 46 2.150 5.501 -7.228 1.00 0.00 C ATOM 701 O VAL A 46 1.538 6.567 -7.219 1.00 0.00 O ATOM 702 CB VAL A 46 4.330 5.787 -5.976 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.412 4.862 -5.453 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.697 6.367 -7.336 1.00 0.00 C ATOM 0 H VAL A 46 4.018 3.263 -6.115 1.00 0.00 H new ATOM 0 HA VAL A 46 2.424 5.380 -5.112 1.00 0.00 H new ATOM 0 HB VAL A 46 4.247 6.627 -5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.366 5.389 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.160 4.542 -4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.489 3.989 -6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.666 6.862 -7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.748 5.565 -8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.940 7.090 -7.640 1.00 0.00 H new ATOM 714 N GLU A 47 2.173 4.695 -8.294 1.00 0.00 N ATOM 715 CA GLU A 47 1.402 5.017 -9.490 1.00 0.00 C ATOM 716 C GLU A 47 -0.048 5.289 -9.110 1.00 0.00 C ATOM 717 O GLU A 47 -0.740 6.071 -9.763 1.00 0.00 O ATOM 718 CB GLU A 47 1.473 3.889 -10.520 1.00 0.00 C ATOM 719 CG GLU A 47 2.599 4.055 -11.528 1.00 0.00 C ATOM 720 CD GLU A 47 2.578 2.988 -12.604 1.00 0.00 C ATOM 721 OE1 GLU A 47 3.098 1.881 -12.352 1.00 0.00 O ATOM 722 OE2 GLU A 47 2.043 3.259 -13.700 1.00 0.00 O ATOM 0 H GLU A 47 2.709 3.829 -8.350 1.00 0.00 H new ATOM 0 HA GLU A 47 1.833 5.910 -9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.600 2.940 -9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.524 3.835 -11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.523 5.037 -11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.556 4.022 -11.007 1.00 0.00 H new ATOM 729 N PHE A 48 -0.499 4.631 -8.046 1.00 0.00 N ATOM 730 CA PHE A 48 -1.853 4.824 -7.541 1.00 0.00 C ATOM 731 C PHE A 48 -1.841 5.989 -6.575 1.00 0.00 C ATOM 732 O PHE A 48 -2.790 6.768 -6.494 1.00 0.00 O ATOM 733 CB PHE A 48 -2.352 3.574 -6.823 1.00 0.00 C ATOM 734 CG PHE A 48 -2.440 2.370 -7.705 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.323 1.587 -7.936 1.00 0.00 C ATOM 736 CD2 PHE A 48 -3.641 2.018 -8.297 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.407 0.467 -8.748 1.00 0.00 C ATOM 738 CE2 PHE A 48 -3.727 0.907 -9.108 1.00 0.00 C ATOM 739 CZ PHE A 48 -2.609 0.132 -9.331 1.00 0.00 C ATOM 0 H PHE A 48 0.055 3.958 -7.516 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.522 5.024 -8.378 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.686 3.355 -5.989 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.336 3.777 -6.400 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.380 1.850 -7.481 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.520 2.621 -8.121 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.532 -0.142 -8.923 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.668 0.644 -9.568 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.676 -0.740 -9.965 1.00 0.00 H new ATOM 749 N CYS A 49 -0.740 6.084 -5.842 1.00 0.00 N ATOM 750 CA CYS A 49 -0.545 7.152 -4.871 1.00 0.00 C ATOM 751 C CYS A 49 -0.652 8.513 -5.543 1.00 0.00 C ATOM 752 O CYS A 49 -0.272 8.670 -6.702 1.00 0.00 O ATOM 753 CB CYS A 49 0.831 7.025 -4.220 1.00 0.00 C ATOM 754 SG CYS A 49 1.305 8.446 -3.208 1.00 0.00 S ATOM 0 H CYS A 49 0.038 5.428 -5.903 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.321 7.065 -4.111 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.845 6.130 -3.599 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.578 6.883 -5.001 1.00 0.00 H new ATOM 0 HG CYS A 49 1.191 9.535 -3.909 1.00 0.00 H new ATOM 760 N HIS A 50 -1.178 9.492 -4.817 1.00 0.00 N ATOM 761 CA HIS A 50 -1.298 10.838 -5.353 1.00 0.00 C ATOM 762 C HIS A 50 0.094 11.352 -5.708 1.00 0.00 C ATOM 763 O HIS A 50 1.026 11.171 -4.931 1.00 0.00 O ATOM 764 CB HIS A 50 -1.969 11.759 -4.331 1.00 0.00 C ATOM 765 CG HIS A 50 -2.371 13.094 -4.879 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.467 13.997 -5.396 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.588 13.683 -4.977 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.108 15.085 -5.787 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.396 14.919 -5.544 1.00 0.00 N ATOM 0 H HIS A 50 -1.525 9.379 -3.864 1.00 0.00 H new ATOM 0 HA HIS A 50 -1.918 10.824 -6.249 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.853 11.260 -3.935 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.288 11.912 -3.494 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.532 13.260 -4.667 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.656 15.960 -6.230 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.129 15.599 -5.745 1.00 0.00 H new ATOM 778 N PRO A 51 0.264 11.977 -6.887 1.00 0.00 N ATOM 779 CA PRO A 51 1.565 12.482 -7.337 1.00 0.00 C ATOM 780 C PRO A 51 2.350 13.224 -6.255 1.00 0.00 C ATOM 781 O PRO A 51 3.489 12.866 -5.951 1.00 0.00 O ATOM 782 CB PRO A 51 1.184 13.421 -8.474 1.00 0.00 C ATOM 783 CG PRO A 51 -0.034 12.800 -9.051 1.00 0.00 C ATOM 784 CD PRO A 51 -0.793 12.254 -7.877 1.00 0.00 C ATOM 0 HA PRO A 51 2.234 11.670 -7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.986 14.429 -8.111 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.982 13.499 -9.213 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.628 13.533 -9.597 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.224 12.009 -9.755 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.520 12.973 -7.499 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.345 11.351 -8.139 1.00 0.00 H new ATOM 792 N GLU A 52 1.737 14.249 -5.675 1.00 0.00 N ATOM 793 CA GLU A 52 2.384 15.048 -4.640 1.00 0.00 C ATOM 794 C GLU A 52 2.801 14.200 -3.438 1.00 0.00 C ATOM 795 O GLU A 52 3.640 14.617 -2.639 1.00 0.00 O ATOM 796 CB GLU A 52 1.444 16.162 -4.187 1.00 0.00 C ATOM 797 CG GLU A 52 1.073 17.132 -5.296 1.00 0.00 C ATOM 798 CD GLU A 52 0.159 18.243 -4.818 1.00 0.00 C ATOM 799 OE1 GLU A 52 -1.069 18.021 -4.766 1.00 0.00 O ATOM 800 OE2 GLU A 52 0.671 19.336 -4.498 1.00 0.00 O ATOM 0 H GLU A 52 0.789 14.548 -5.905 1.00 0.00 H new ATOM 0 HA GLU A 52 3.289 15.477 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.534 15.717 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.914 16.715 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.982 17.568 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.584 16.586 -6.103 1.00 0.00 H new ATOM 807 N ASP A 53 2.216 13.013 -3.316 1.00 0.00 N ATOM 808 CA ASP A 53 2.525 12.121 -2.200 1.00 0.00 C ATOM 809 C ASP A 53 3.410 10.947 -2.611 1.00 0.00 C ATOM 810 O ASP A 53 3.964 10.267 -1.747 1.00 0.00 O ATOM 811 CB ASP A 53 1.241 11.583 -1.569 1.00 0.00 C ATOM 812 CG ASP A 53 0.602 12.580 -0.621 1.00 0.00 C ATOM 813 OD1 ASP A 53 0.493 13.766 -0.994 1.00 0.00 O ATOM 814 OD2 ASP A 53 0.213 12.173 0.494 1.00 0.00 O ATOM 0 H ASP A 53 1.527 12.646 -3.973 1.00 0.00 H new ATOM 0 HA ASP A 53 3.077 12.719 -1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.532 11.328 -2.356 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.463 10.662 -1.029 1.00 0.00 H new ATOM 819 N GLN A 54 3.551 10.695 -3.911 1.00 0.00 N ATOM 820 CA GLN A 54 4.369 9.587 -4.359 1.00 0.00 C ATOM 821 C GLN A 54 5.802 9.753 -3.893 1.00 0.00 C ATOM 822 O GLN A 54 6.447 8.787 -3.495 1.00 0.00 O ATOM 823 CB GLN A 54 4.345 9.457 -5.875 1.00 0.00 C ATOM 824 CG GLN A 54 2.963 9.518 -6.478 1.00 0.00 C ATOM 825 CD GLN A 54 2.987 9.390 -7.988 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.954 9.781 -8.641 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.920 8.844 -8.549 1.00 0.00 N ATOM 0 H GLN A 54 3.114 11.237 -4.656 1.00 0.00 H new ATOM 0 HA GLN A 54 3.950 8.680 -3.923 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.953 10.252 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.810 8.512 -6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.350 8.720 -6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.491 10.461 -6.203 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.141 8.534 -7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.877 8.733 -9.562 1.00 0.00 H new ATOM 836 N GLN A 55 6.303 10.981 -3.947 1.00 0.00 N ATOM 837 CA GLN A 55 7.668 11.254 -3.528 1.00 0.00 C ATOM 838 C GLN A 55 7.856 10.903 -2.059 1.00 0.00 C ATOM 839 O GLN A 55 8.956 10.561 -1.628 1.00 0.00 O ATOM 840 CB GLN A 55 8.032 12.717 -3.770 1.00 0.00 C ATOM 841 CG GLN A 55 9.510 13.005 -3.568 1.00 0.00 C ATOM 842 CD GLN A 55 10.388 12.221 -4.522 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.022 11.988 -5.674 1.00 0.00 O ATOM 844 NE2 GLN A 55 11.547 11.791 -4.039 1.00 0.00 N ATOM 0 H GLN A 55 5.787 11.797 -4.275 1.00 0.00 H new ATOM 0 HA GLN A 55 8.334 10.631 -4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.750 12.992 -4.786 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.450 13.346 -3.097 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.691 14.071 -3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.787 12.764 -2.542 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.811 12.007 -3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.174 11.244 -4.629 1.00 0.00 H new ATOM 853 N LEU A 56 6.773 10.995 -1.298 1.00 0.00 N ATOM 854 CA LEU A 56 6.795 10.679 0.115 1.00 0.00 C ATOM 855 C LEU A 56 6.762 9.174 0.294 1.00 0.00 C ATOM 856 O LEU A 56 7.414 8.619 1.178 1.00 0.00 O ATOM 857 CB LEU A 56 5.593 11.321 0.808 1.00 0.00 C ATOM 858 CG LEU A 56 5.188 10.698 2.142 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.557 11.609 3.301 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.699 10.396 2.140 1.00 0.00 C ATOM 0 H LEU A 56 5.861 11.290 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 56 7.707 11.072 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.812 12.376 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.739 11.274 0.132 1.00 0.00 H new ATOM 0 HG LEU A 56 5.734 9.763 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.258 11.143 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.634 11.775 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.044 12.564 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.417 9.952 3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.141 11.320 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.470 9.699 1.334 1.00 0.00 H new ATOM 872 N LEU A 57 5.990 8.527 -0.565 1.00 0.00 N ATOM 873 CA LEU A 57 5.859 7.085 -0.539 1.00 0.00 C ATOM 874 C LEU A 57 7.198 6.450 -0.865 1.00 0.00 C ATOM 875 O LEU A 57 7.737 5.657 -0.093 1.00 0.00 O ATOM 876 CB LEU A 57 4.806 6.656 -1.557 1.00 0.00 C ATOM 877 CG LEU A 57 4.348 5.205 -1.453 1.00 0.00 C ATOM 878 CD1 LEU A 57 3.898 4.897 -0.037 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.230 4.934 -2.449 1.00 0.00 C ATOM 0 H LEU A 57 5.442 8.985 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 57 5.547 6.758 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.935 7.303 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.204 6.823 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 57 5.186 4.551 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.574 3.858 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.727 5.059 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.070 5.552 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.912 3.895 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.386 5.590 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.590 5.122 -3.460 1.00 0.00 H new ATOM 891 N ARG A 58 7.719 6.810 -2.027 1.00 0.00 N ATOM 892 CA ARG A 58 9.011 6.329 -2.479 1.00 0.00 C ATOM 893 C ARG A 58 10.062 6.624 -1.422 1.00 0.00 C ATOM 894 O ARG A 58 10.910 5.787 -1.125 1.00 0.00 O ATOM 895 CB ARG A 58 9.395 7.013 -3.792 1.00 0.00 C ATOM 896 CG ARG A 58 8.422 6.748 -4.929 1.00 0.00 C ATOM 897 CD ARG A 58 8.692 7.668 -6.109 1.00 0.00 C ATOM 898 NE ARG A 58 7.843 8.855 -6.090 1.00 0.00 N ATOM 899 CZ ARG A 58 7.857 9.788 -7.039 1.00 0.00 C ATOM 900 NH1 ARG A 58 8.669 9.667 -8.082 1.00 0.00 N ATOM 901 NH2 ARG A 58 7.060 10.843 -6.947 1.00 0.00 N ATOM 0 H ARG A 58 7.258 7.443 -2.681 1.00 0.00 H new ATOM 0 HA ARG A 58 8.953 5.253 -2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.460 8.088 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.388 6.676 -4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.505 5.709 -5.248 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.400 6.893 -4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.739 7.972 -6.098 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.529 7.122 -7.038 1.00 0.00 H new ATOM 0 HE ARG A 58 7.203 8.976 -5.305 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.285 8.857 -8.158 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.677 10.384 -8.808 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.434 10.941 -6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.073 11.557 -7.676 1.00 0.00 H new ATOM 915 N ASP A 59 9.986 7.828 -0.854 1.00 0.00 N ATOM 916 CA ASP A 59 10.922 8.247 0.185 1.00 0.00 C ATOM 917 C ASP A 59 10.959 7.222 1.291 1.00 0.00 C ATOM 918 O ASP A 59 12.030 6.801 1.727 1.00 0.00 O ATOM 919 CB ASP A 59 10.524 9.608 0.750 1.00 0.00 C ATOM 920 CG ASP A 59 11.490 10.102 1.808 1.00 0.00 C ATOM 921 OD1 ASP A 59 11.320 9.729 2.989 1.00 0.00 O ATOM 922 OD2 ASP A 59 12.418 10.861 1.457 1.00 0.00 O ATOM 0 H ASP A 59 9.286 8.529 -1.097 1.00 0.00 H new ATOM 0 HA ASP A 59 11.914 8.332 -0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.476 10.335 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.524 9.542 1.178 1.00 0.00 H new ATOM 927 N SER A 60 9.782 6.822 1.740 1.00 0.00 N ATOM 928 CA SER A 60 9.684 5.826 2.784 1.00 0.00 C ATOM 929 C SER A 60 10.470 4.587 2.379 1.00 0.00 C ATOM 930 O SER A 60 11.360 4.151 3.100 1.00 0.00 O ATOM 931 CB SER A 60 8.218 5.476 3.049 1.00 0.00 C ATOM 932 OG SER A 60 7.791 4.394 2.239 1.00 0.00 O ATOM 0 H SER A 60 8.887 7.172 1.398 1.00 0.00 H new ATOM 0 HA SER A 60 10.107 6.226 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.088 5.219 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.593 6.348 2.854 1.00 0.00 H new ATOM 0 HG SER A 60 7.548 4.727 1.350 1.00 0.00 H new ATOM 938 N PHE A 61 10.167 4.055 1.199 1.00 0.00 N ATOM 939 CA PHE A 61 10.844 2.867 0.700 1.00 0.00 C ATOM 940 C PHE A 61 12.345 3.076 0.657 1.00 0.00 C ATOM 941 O PHE A 61 13.113 2.146 0.897 1.00 0.00 O ATOM 942 CB PHE A 61 10.337 2.509 -0.696 1.00 0.00 C ATOM 943 CG PHE A 61 8.842 2.393 -0.778 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.112 1.892 0.290 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.164 2.791 -1.918 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.737 1.789 0.222 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.789 2.691 -1.992 1.00 0.00 C ATOM 948 CZ PHE A 61 6.075 2.188 -0.921 1.00 0.00 C ATOM 0 H PHE A 61 9.456 4.430 0.571 1.00 0.00 H new ATOM 0 HA PHE A 61 10.624 2.047 1.383 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.674 3.268 -1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.784 1.564 -1.005 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.626 1.578 1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.717 3.184 -2.758 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.181 1.397 1.061 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.272 3.006 -2.886 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.000 2.107 -0.979 1.00 0.00 H new ATOM 958 N GLN A 62 12.762 4.300 0.355 1.00 0.00 N ATOM 959 CA GLN A 62 14.177 4.607 0.278 1.00 0.00 C ATOM 960 C GLN A 62 14.794 4.549 1.663 1.00 0.00 C ATOM 961 O GLN A 62 15.958 4.205 1.820 1.00 0.00 O ATOM 962 CB GLN A 62 14.402 5.990 -0.337 1.00 0.00 C ATOM 963 CG GLN A 62 13.728 6.172 -1.686 1.00 0.00 C ATOM 964 CD GLN A 62 14.659 6.762 -2.728 1.00 0.00 C ATOM 965 OE1 GLN A 62 14.745 7.979 -2.882 1.00 0.00 O ATOM 966 NE2 GLN A 62 15.365 5.897 -3.448 1.00 0.00 N ATOM 0 H GLN A 62 12.143 5.087 0.162 1.00 0.00 H new ATOM 0 HA GLN A 62 14.656 3.866 -0.362 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.030 6.749 0.351 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.473 6.159 -0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.360 5.208 -2.037 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.860 6.821 -1.570 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.262 4.895 -3.286 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.010 6.235 -4.162 1.00 0.00 H new ATOM 975 N GLN A 63 13.991 4.872 2.665 1.00 0.00 N ATOM 976 CA GLN A 63 14.451 4.872 4.038 1.00 0.00 C ATOM 977 C GLN A 63 14.478 3.461 4.630 1.00 0.00 C ATOM 978 O GLN A 63 15.418 3.098 5.334 1.00 0.00 O ATOM 979 CB GLN A 63 13.544 5.776 4.856 1.00 0.00 C ATOM 980 CG GLN A 63 13.586 7.233 4.414 1.00 0.00 C ATOM 981 CD GLN A 63 14.948 7.867 4.624 1.00 0.00 C ATOM 982 OE1 GLN A 63 15.806 7.830 3.741 1.00 0.00 O ATOM 983 NE2 GLN A 63 15.154 8.452 5.798 1.00 0.00 N ATOM 0 H GLN A 63 13.013 5.138 2.548 1.00 0.00 H new ATOM 0 HA GLN A 63 15.475 5.245 4.064 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.519 5.411 4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.832 5.714 5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.318 7.297 3.359 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.837 7.799 4.968 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.415 8.459 6.501 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.051 8.894 5.997 1.00 0.00 H new ATOM 992 N VAL A 64 13.446 2.668 4.347 1.00 0.00 N ATOM 993 CA VAL A 64 13.376 1.298 4.864 1.00 0.00 C ATOM 994 C VAL A 64 14.491 0.450 4.279 1.00 0.00 C ATOM 995 O VAL A 64 15.037 -0.433 4.940 1.00 0.00 O ATOM 996 CB VAL A 64 12.011 0.604 4.567 1.00 0.00 C ATOM 997 CG1 VAL A 64 10.953 1.601 4.139 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.150 -0.486 3.509 1.00 0.00 C ATOM 0 H VAL A 64 12.653 2.945 3.768 1.00 0.00 H new ATOM 0 HA VAL A 64 13.484 1.378 5.946 1.00 0.00 H new ATOM 0 HB VAL A 64 11.692 0.142 5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.018 1.077 3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.799 2.332 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.280 2.113 3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.178 -0.945 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.521 -0.048 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.851 -1.244 3.858 1.00 0.00 H new ATOM 1008 N VAL A 65 14.815 0.732 3.031 1.00 0.00 N ATOM 1009 CA VAL A 65 15.835 -0.001 2.321 1.00 0.00 C ATOM 1010 C VAL A 65 17.226 0.505 2.685 1.00 0.00 C ATOM 1011 O VAL A 65 18.198 -0.251 2.670 1.00 0.00 O ATOM 1012 CB VAL A 65 15.596 0.103 0.808 1.00 0.00 C ATOM 1013 CG1 VAL A 65 15.942 1.493 0.300 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.363 -0.970 0.064 1.00 0.00 C ATOM 0 H VAL A 65 14.377 1.475 2.486 1.00 0.00 H new ATOM 0 HA VAL A 65 15.777 -1.049 2.615 1.00 0.00 H new ATOM 0 HB VAL A 65 14.536 -0.062 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.765 1.542 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.318 2.231 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.992 1.704 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.177 -0.875 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.429 -0.856 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.035 -1.953 0.403 1.00 0.00 H new ATOM 1024 N LYS A 66 17.311 1.791 3.010 1.00 0.00 N ATOM 1025 CA LYS A 66 18.574 2.399 3.411 1.00 0.00 C ATOM 1026 C LYS A 66 18.974 1.894 4.784 1.00 0.00 C ATOM 1027 O LYS A 66 20.141 1.601 5.047 1.00 0.00 O ATOM 1028 CB LYS A 66 18.440 3.920 3.463 1.00 0.00 C ATOM 1029 CG LYS A 66 18.724 4.605 2.137 1.00 0.00 C ATOM 1030 CD LYS A 66 18.454 6.102 2.205 1.00 0.00 C ATOM 1031 CE LYS A 66 19.407 6.805 3.160 1.00 0.00 C ATOM 1032 NZ LYS A 66 20.826 6.659 2.739 1.00 0.00 N ATOM 0 H LYS A 66 16.518 2.433 3.003 1.00 0.00 H new ATOM 0 HA LYS A 66 19.335 2.128 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.431 4.176 3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.124 4.310 4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.763 4.435 1.856 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.106 4.159 1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.552 6.535 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.426 6.272 2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.152 7.863 3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.282 6.396 4.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.413 7.347 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.154 5.696 2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.904 6.832 1.717 1.00 0.00 H new ATOM 1046 N LEU A 67 17.979 1.798 5.651 1.00 0.00 N ATOM 1047 CA LEU A 67 18.177 1.348 7.015 1.00 0.00 C ATOM 1048 C LEU A 67 17.958 -0.155 7.118 1.00 0.00 C ATOM 1049 O LEU A 67 17.961 -0.728 8.207 1.00 0.00 O ATOM 1050 CB LEU A 67 17.219 2.112 7.917 1.00 0.00 C ATOM 1051 CG LEU A 67 17.241 3.628 7.703 1.00 0.00 C ATOM 1052 CD1 LEU A 67 16.214 4.313 8.590 1.00 0.00 C ATOM 1053 CD2 LEU A 67 18.634 4.178 7.968 1.00 0.00 C ATOM 0 H LEU A 67 17.012 2.031 5.427 1.00 0.00 H new ATOM 0 HA LEU A 67 19.202 1.545 7.331 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.206 1.746 7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.466 1.898 8.957 1.00 0.00 H new ATOM 0 HG LEU A 67 16.980 3.834 6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.248 5.389 8.421 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.219 3.939 8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 67 16.438 4.103 9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 67 18.635 5.257 7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 67 18.922 3.960 8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.345 3.712 7.286 1.00 0.00 H new ATOM 1065 N LYS A 68 17.782 -0.770 5.952 1.00 0.00 N ATOM 1066 CA LYS A 68 17.578 -2.212 5.823 1.00 0.00 C ATOM 1067 C LYS A 68 16.825 -2.817 7.006 1.00 0.00 C ATOM 1068 O LYS A 68 17.413 -3.496 7.851 1.00 0.00 O ATOM 1069 CB LYS A 68 18.924 -2.901 5.663 1.00 0.00 C ATOM 1070 CG LYS A 68 19.380 -3.036 4.224 1.00 0.00 C ATOM 1071 CD LYS A 68 18.654 -4.165 3.508 1.00 0.00 C ATOM 1072 CE LYS A 68 17.505 -3.641 2.663 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.722 -4.746 2.042 1.00 0.00 N ATOM 0 H LYS A 68 17.777 -0.277 5.059 1.00 0.00 H new ATOM 0 HA LYS A 68 16.959 -2.372 4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.675 -2.342 6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.868 -3.893 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.204 -2.098 3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.454 -3.220 4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.356 -4.706 2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.273 -4.876 4.241 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.846 -3.033 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.897 -2.990 1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.653 -4.589 1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.198 -5.653 2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.767 -4.769 2.454 1.00 0.00 H new ATOM 1087 N GLY A 69 15.527 -2.565 7.055 1.00 0.00 N ATOM 1088 CA GLY A 69 14.696 -3.112 8.111 1.00 0.00 C ATOM 1089 C GLY A 69 13.845 -2.067 8.798 1.00 0.00 C ATOM 1090 O GLY A 69 12.669 -2.304 9.073 1.00 0.00 O ATOM 0 H GLY A 69 15.029 -1.987 6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.048 -3.882 7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.332 -3.598 8.851 1.00 0.00 H new ATOM 1094 N GLN A 70 14.439 -0.913 9.083 1.00 0.00 N ATOM 1095 CA GLN A 70 13.719 0.172 9.738 1.00 0.00 C ATOM 1096 C GLN A 70 12.413 0.453 9.007 1.00 0.00 C ATOM 1097 O GLN A 70 12.410 0.746 7.813 1.00 0.00 O ATOM 1098 CB GLN A 70 14.586 1.426 9.769 1.00 0.00 C ATOM 1099 CG GLN A 70 14.053 2.523 10.672 1.00 0.00 C ATOM 1100 CD GLN A 70 13.908 2.074 12.113 1.00 0.00 C ATOM 1101 OE1 GLN A 70 14.652 1.215 12.586 1.00 0.00 O ATOM 1102 NE2 GLN A 70 12.945 2.655 12.820 1.00 0.00 N ATOM 0 H GLN A 70 15.415 -0.706 8.871 1.00 0.00 H new ATOM 0 HA GLN A 70 13.488 -0.124 10.761 1.00 0.00 H new ATOM 0 HB2 GLN A 70 15.589 1.154 10.098 1.00 0.00 H new ATOM 0 HB3 GLN A 70 14.678 1.817 8.756 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.723 3.382 10.629 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.084 2.856 10.300 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.351 3.363 12.388 1.00 0.00 H new ATOM 0 HE22 GLN A 70 12.800 2.393 13.795 1.00 0.00 H new ATOM 1111 N VAL A 71 11.304 0.364 9.731 1.00 0.00 N ATOM 1112 CA VAL A 71 9.995 0.588 9.136 1.00 0.00 C ATOM 1113 C VAL A 71 9.671 2.073 9.007 1.00 0.00 C ATOM 1114 O VAL A 71 10.011 2.884 9.869 1.00 0.00 O ATOM 1115 CB VAL A 71 8.882 -0.127 9.927 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.593 0.588 11.237 1.00 0.00 C ATOM 1117 CG2 VAL A 71 7.626 -0.252 9.077 1.00 0.00 C ATOM 0 H VAL A 71 11.286 0.139 10.726 1.00 0.00 H new ATOM 0 HA VAL A 71 10.037 0.162 8.133 1.00 0.00 H new ATOM 0 HB VAL A 71 9.228 -1.131 10.174 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.804 0.061 11.773 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.496 0.608 11.848 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.272 1.609 11.031 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.849 -0.759 9.649 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.278 0.741 8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.850 -0.828 8.179 1.00 0.00 H new ATOM 1127 N LEU A 72 9.011 2.402 7.906 1.00 0.00 N ATOM 1128 CA LEU A 72 8.622 3.761 7.583 1.00 0.00 C ATOM 1129 C LEU A 72 7.110 3.920 7.636 1.00 0.00 C ATOM 1130 O LEU A 72 6.367 2.974 7.366 1.00 0.00 O ATOM 1131 CB LEU A 72 9.113 4.093 6.175 1.00 0.00 C ATOM 1132 CG LEU A 72 10.551 4.594 6.061 1.00 0.00 C ATOM 1133 CD1 LEU A 72 10.621 6.069 6.386 1.00 0.00 C ATOM 1134 CD2 LEU A 72 11.484 3.797 6.962 1.00 0.00 C ATOM 0 H LEU A 72 8.728 1.719 7.203 1.00 0.00 H new ATOM 0 HA LEU A 72 9.066 4.438 8.313 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.012 3.200 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.452 4.850 5.752 1.00 0.00 H new ATOM 0 HG LEU A 72 10.881 4.449 5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.652 6.412 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.995 6.625 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.267 6.235 7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.501 4.176 6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.162 3.897 7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.458 2.746 6.674 1.00 0.00 H new ATOM 1146 N SER A 73 6.661 5.120 7.973 1.00 0.00 N ATOM 1147 CA SER A 73 5.238 5.408 8.040 1.00 0.00 C ATOM 1148 C SER A 73 4.926 6.681 7.277 1.00 0.00 C ATOM 1149 O SER A 73 5.366 7.768 7.652 1.00 0.00 O ATOM 1150 CB SER A 73 4.777 5.547 9.485 1.00 0.00 C ATOM 1151 OG SER A 73 3.378 5.347 9.597 1.00 0.00 O ATOM 0 H SER A 73 7.263 5.910 8.204 1.00 0.00 H new ATOM 0 HA SER A 73 4.702 4.575 7.585 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.302 4.823 10.108 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.037 6.537 9.859 1.00 0.00 H new ATOM 0 HG SER A 73 3.108 5.440 10.535 1.00 0.00 H new ATOM 1157 N VAL A 74 4.165 6.538 6.206 1.00 0.00 N ATOM 1158 CA VAL A 74 3.801 7.689 5.379 1.00 0.00 C ATOM 1159 C VAL A 74 2.339 7.637 4.961 1.00 0.00 C ATOM 1160 O VAL A 74 1.836 6.585 4.569 1.00 0.00 O ATOM 1161 CB VAL A 74 4.672 7.777 4.103 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.142 7.941 4.456 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.466 6.553 3.229 1.00 0.00 C ATOM 0 H VAL A 74 3.787 5.647 5.885 1.00 0.00 H new ATOM 0 HA VAL A 74 3.973 8.571 5.996 1.00 0.00 H new ATOM 0 HB VAL A 74 4.359 8.658 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.731 8.000 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.277 8.855 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.472 7.086 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.087 6.634 2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.745 5.658 3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.418 6.487 2.937 1.00 0.00 H new ATOM 1173 N MET A 75 1.651 8.772 5.047 1.00 0.00 N ATOM 1174 CA MET A 75 0.257 8.819 4.634 1.00 0.00 C ATOM 1175 C MET A 75 0.156 9.354 3.230 1.00 0.00 C ATOM 1176 O MET A 75 0.692 10.416 2.914 1.00 0.00 O ATOM 1177 CB MET A 75 -0.610 9.682 5.544 1.00 0.00 C ATOM 1178 CG MET A 75 -0.826 9.094 6.919 1.00 0.00 C ATOM 1179 SD MET A 75 -2.231 9.834 7.767 1.00 0.00 S ATOM 1180 CE MET A 75 -3.567 9.237 6.737 1.00 0.00 C ATOM 0 H MET A 75 2.029 9.654 5.392 1.00 0.00 H new ATOM 0 HA MET A 75 -0.114 7.796 4.693 1.00 0.00 H new ATOM 0 HB2 MET A 75 -0.147 10.663 5.648 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.579 9.835 5.069 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.983 8.019 6.831 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.073 9.237 7.518 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.520 9.576 7.144 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.447 9.624 5.725 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.549 8.147 6.714 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.533 8.617 2.390 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.705 9.033 1.012 1.00 0.00 C ATOM 1192 C PHE A 76 -2.118 8.750 0.529 1.00 0.00 C ATOM 1193 O PHE A 76 -2.873 8.014 1.164 1.00 0.00 O ATOM 1194 CB PHE A 76 0.310 8.329 0.118 1.00 0.00 C ATOM 1195 CG PHE A 76 -0.042 6.903 -0.164 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.211 5.909 0.765 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.635 6.557 -1.362 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -0.121 4.602 0.500 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.968 5.248 -1.631 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.708 4.268 -0.694 1.00 0.00 C ATOM 0 H PHE A 76 -0.981 7.733 2.631 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.538 10.109 0.959 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.391 8.870 -0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.291 8.367 0.592 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.674 6.163 1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.840 7.322 -2.097 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.081 3.836 1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.431 4.989 -2.572 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.966 3.240 -0.901 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.463 9.342 -0.602 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.783 9.175 -1.187 1.00 0.00 C ATOM 1212 C ARG A 77 -3.758 8.128 -2.301 1.00 0.00 C ATOM 1213 O ARG A 77 -3.244 8.371 -3.390 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.278 10.534 -1.685 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.473 11.513 -0.536 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.457 12.977 -0.965 1.00 0.00 C ATOM 1217 NE ARG A 77 -3.302 13.316 -1.790 1.00 0.00 N ATOM 1218 CZ ARG A 77 -2.568 14.413 -1.608 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -2.877 15.268 -0.641 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -1.525 14.660 -2.388 1.00 0.00 N ATOM 0 H ARG A 77 -1.841 9.948 -1.137 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.478 8.806 -0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.562 10.945 -2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.220 10.406 -2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.422 11.298 -0.045 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.688 11.352 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.370 13.198 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.461 13.610 -0.078 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.043 12.681 -2.545 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.677 15.086 -0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.314 16.107 -0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.280 14.008 -3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.968 15.502 -2.243 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.309 6.953 -1.995 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.350 5.836 -2.937 1.00 0.00 C ATOM 1236 C PHE A 78 -5.597 5.884 -3.813 1.00 0.00 C ATOM 1237 O PHE A 78 -6.694 5.587 -3.343 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.349 4.500 -2.171 1.00 0.00 C ATOM 1239 CG PHE A 78 -3.992 3.300 -3.019 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.884 2.792 -3.955 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.761 2.682 -2.880 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.545 1.693 -4.729 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.420 1.588 -3.650 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.312 1.094 -4.575 1.00 0.00 C ATOM 0 H PHE A 78 -4.737 6.750 -1.092 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.467 5.916 -3.571 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.643 4.569 -1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.336 4.343 -1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.850 3.257 -4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.055 3.062 -2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.247 1.306 -5.453 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.454 1.120 -3.527 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.047 0.239 -5.179 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.440 6.255 -5.083 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.579 6.264 -5.985 1.00 0.00 C ATOM 1256 C ARG A 79 -7.019 4.826 -6.164 1.00 0.00 C ATOM 1257 O ARG A 79 -6.387 4.059 -6.890 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.226 6.892 -7.334 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.394 6.932 -8.308 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.534 5.621 -9.054 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.313 5.769 -10.281 1.00 0.00 N ATOM 1262 CZ ARG A 79 -7.983 5.201 -11.438 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -6.895 4.449 -11.526 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -8.743 5.388 -12.508 1.00 0.00 N ATOM 0 H ARG A 79 -4.555 6.546 -5.499 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.382 6.869 -5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -5.865 7.907 -7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.407 6.331 -7.784 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.315 7.144 -7.766 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.249 7.744 -9.020 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.544 5.235 -9.298 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.013 4.885 -8.407 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.158 6.340 -10.249 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.307 4.304 -10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.645 4.015 -12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.580 5.967 -12.444 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.490 4.953 -13.395 1.00 0.00 H new ATOM 1278 N SER A 80 -8.091 4.459 -5.489 1.00 0.00 N ATOM 1279 CA SER A 80 -8.578 3.101 -5.528 1.00 0.00 C ATOM 1280 C SER A 80 -9.466 2.805 -6.728 1.00 0.00 C ATOM 1281 O SER A 80 -9.621 3.625 -7.631 1.00 0.00 O ATOM 1282 CB SER A 80 -9.310 2.808 -4.231 1.00 0.00 C ATOM 1283 OG SER A 80 -8.398 2.774 -3.152 1.00 0.00 O ATOM 0 H SER A 80 -8.641 5.089 -4.905 1.00 0.00 H new ATOM 0 HA SER A 80 -7.715 2.445 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.068 3.571 -4.052 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.831 1.853 -4.307 1.00 0.00 H new ATOM 0 HG SER A 80 -7.878 3.605 -3.137 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.018 1.597 -6.723 1.00 0.00 N ATOM 1290 CA LYS A 81 -10.888 1.116 -7.778 1.00 0.00 C ATOM 1291 C LYS A 81 -12.105 2.022 -7.939 1.00 0.00 C ATOM 1292 O LYS A 81 -12.751 2.036 -8.987 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.315 -0.312 -7.446 1.00 0.00 C ATOM 1294 CG LYS A 81 -11.762 -1.100 -8.652 1.00 0.00 C ATOM 1295 CD LYS A 81 -10.785 -2.219 -8.952 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.299 -3.139 -10.031 1.00 0.00 C ATOM 1297 NZ LYS A 81 -10.320 -4.208 -10.369 1.00 0.00 N ATOM 0 H LYS A 81 -9.869 0.920 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.350 1.127 -8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.483 -0.831 -6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.128 -0.281 -6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.754 -1.515 -8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.842 -0.439 -9.515 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.830 -1.794 -9.261 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.599 -2.792 -8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.234 -3.594 -9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.524 -2.558 -10.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.830 -5.064 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.705 -3.884 -11.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.740 -4.424 -9.533 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.408 2.782 -6.890 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.540 3.699 -6.908 1.00 0.00 C ATOM 1313 C ASN A 82 -13.128 5.053 -7.474 1.00 0.00 C ATOM 1314 O ASN A 82 -13.932 5.982 -7.543 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.109 3.874 -5.500 1.00 0.00 C ATOM 1316 CG ASN A 82 -14.662 2.579 -4.934 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -14.672 2.375 -3.720 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -15.121 1.696 -5.812 1.00 0.00 N ATOM 0 H ASN A 82 -11.883 2.780 -6.016 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.311 3.273 -7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.328 4.252 -4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.899 4.625 -5.521 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -15.502 0.806 -5.489 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.093 1.907 -6.810 1.00 0.00 H new ATOM 1325 N GLN A 83 -11.861 5.148 -7.871 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.316 6.374 -8.440 1.00 0.00 C ATOM 1327 C GLN A 83 -11.380 7.513 -7.432 1.00 0.00 C ATOM 1328 O GLN A 83 -11.684 8.654 -7.781 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.074 6.744 -9.714 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.358 5.551 -10.611 1.00 0.00 C ATOM 1331 CD GLN A 83 -11.908 5.774 -12.041 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -11.915 6.900 -12.539 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -11.507 4.699 -12.708 1.00 0.00 N ATOM 0 H GLN A 83 -11.190 4.383 -7.807 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.269 6.203 -8.691 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.017 7.219 -9.443 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.495 7.480 -10.272 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.855 4.672 -10.209 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -13.427 5.340 -10.600 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.518 3.785 -12.256 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.188 4.787 -13.673 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.090 7.191 -6.177 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.113 8.177 -5.105 1.00 0.00 C ATOM 1344 C GLU A 84 -9.811 8.147 -4.311 1.00 0.00 C ATOM 1345 O GLU A 84 -9.227 7.084 -4.102 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.297 7.914 -4.184 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.636 8.164 -4.848 1.00 0.00 C ATOM 1348 CD GLU A 84 -13.931 9.640 -5.027 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -13.506 10.209 -6.055 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -14.584 10.227 -4.141 1.00 0.00 O ATOM 0 H GLU A 84 -10.835 6.250 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.218 9.167 -5.549 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.257 6.881 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.212 8.549 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.652 7.673 -5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.425 7.710 -4.249 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.360 9.319 -3.871 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.126 9.421 -3.104 1.00 0.00 C ATOM 1359 C TRP A 85 -8.292 8.809 -1.714 1.00 0.00 C ATOM 1360 O TRP A 85 -8.633 9.499 -0.754 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.689 10.886 -3.002 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.162 11.441 -4.288 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.561 12.577 -4.925 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.134 10.875 -5.089 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -6.844 12.742 -6.087 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -5.958 11.705 -6.209 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.350 9.740 -4.961 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.018 11.425 -7.199 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.416 9.458 -5.938 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.258 10.299 -7.047 1.00 0.00 C ATOM 0 H TRP A 85 -9.831 10.209 -4.033 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.350 8.859 -3.624 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.537 11.488 -2.676 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.920 10.975 -2.234 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.328 13.249 -4.570 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -6.954 13.510 -6.749 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.468 9.086 -4.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -4.895 12.073 -8.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -3.799 8.577 -5.846 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.521 10.053 -7.797 1.00 0.00 H new ATOM 1381 N LEU A 86 -8.045 7.504 -1.625 1.00 0.00 N ATOM 1382 CA LEU A 86 -8.163 6.774 -0.366 1.00 0.00 C ATOM 1383 C LEU A 86 -6.956 7.013 0.532 1.00 0.00 C ATOM 1384 O LEU A 86 -5.870 6.503 0.262 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.296 5.272 -0.638 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.608 4.813 -1.292 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.920 3.387 -0.878 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.759 5.737 -0.924 1.00 0.00 C ATOM 0 H LEU A 86 -7.760 6.927 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.054 7.140 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.469 4.966 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.181 4.741 0.307 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.484 4.852 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.852 3.068 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.111 2.730 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.022 3.337 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.674 5.387 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.892 5.739 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.537 6.748 -1.264 1.00 0.00 H new ATOM 1400 N TRP A 87 -7.143 7.768 1.612 1.00 0.00 N ATOM 1401 CA TRP A 87 -6.044 8.040 2.523 1.00 0.00 C ATOM 1402 C TRP A 87 -5.592 6.771 3.210 1.00 0.00 C ATOM 1403 O TRP A 87 -6.392 6.036 3.790 1.00 0.00 O ATOM 1404 CB TRP A 87 -6.421 9.097 3.552 1.00 0.00 C ATOM 1405 CG TRP A 87 -6.099 10.475 3.076 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.972 11.381 2.552 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.805 11.092 3.047 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -6.305 12.523 2.190 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.975 12.370 2.484 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -3.516 10.692 3.438 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.913 13.248 2.296 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -2.466 11.570 3.253 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.668 12.831 2.683 1.00 0.00 C ATOM 0 H TRP A 87 -8.032 8.195 1.872 1.00 0.00 H new ATOM 0 HA TRP A 87 -5.216 8.430 1.932 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.487 9.028 3.770 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.891 8.902 4.484 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -8.034 11.223 2.438 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.729 13.351 1.771 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.350 9.718 3.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -4.065 14.224 1.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.471 11.277 3.554 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.824 13.490 2.545 1.00 0.00 H new ATOM 1424 N MET A 88 -4.300 6.526 3.131 1.00 0.00 N ATOM 1425 CA MET A 88 -3.707 5.337 3.714 1.00 0.00 C ATOM 1426 C MET A 88 -2.404 5.650 4.412 1.00 0.00 C ATOM 1427 O MET A 88 -1.765 6.665 4.151 1.00 0.00 O ATOM 1428 CB MET A 88 -3.437 4.304 2.626 1.00 0.00 C ATOM 1429 CG MET A 88 -4.646 3.980 1.788 1.00 0.00 C ATOM 1430 SD MET A 88 -5.552 2.543 2.368 1.00 0.00 S ATOM 1431 CE MET A 88 -6.806 2.459 1.099 1.00 0.00 C ATOM 0 H MET A 88 -3.634 7.141 2.664 1.00 0.00 H new ATOM 0 HA MET A 88 -4.414 4.946 4.446 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.643 4.672 1.976 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.071 3.388 3.089 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.314 4.842 1.779 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.330 3.810 0.759 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.020 1.416 0.868 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.715 2.946 1.452 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.449 2.964 0.201 1.00 0.00 H new ATOM 1441 N ARG A 89 -2.030 4.757 5.301 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.786 4.865 6.035 1.00 0.00 C ATOM 1443 C ARG A 89 0.066 3.647 5.709 1.00 0.00 C ATOM 1444 O ARG A 89 -0.357 2.514 5.937 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.052 4.920 7.538 1.00 0.00 C ATOM 1446 CG ARG A 89 -2.039 5.998 7.942 1.00 0.00 C ATOM 1447 CD ARG A 89 -1.586 6.699 9.207 1.00 0.00 C ATOM 1448 NE ARG A 89 -2.387 6.320 10.367 1.00 0.00 N ATOM 1449 CZ ARG A 89 -2.621 7.129 11.397 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -2.117 8.356 11.407 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -3.359 6.712 12.416 1.00 0.00 N ATOM 0 H ARG A 89 -2.581 3.932 5.537 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.269 5.781 5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.430 3.952 7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.110 5.088 8.059 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -2.141 6.724 7.136 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.023 5.556 8.099 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.540 6.461 9.397 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.646 7.778 9.063 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.790 5.383 10.389 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.549 8.680 10.624 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.297 8.975 12.197 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.749 5.769 12.411 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.537 7.334 13.205 1.00 0.00 H new ATOM 1465 N THR A 90 1.259 3.866 5.182 1.00 0.00 N ATOM 1466 CA THR A 90 2.111 2.747 4.797 1.00 0.00 C ATOM 1467 C THR A 90 3.109 2.360 5.869 1.00 0.00 C ATOM 1468 O THR A 90 3.728 3.220 6.502 1.00 0.00 O ATOM 1469 CB THR A 90 2.911 3.044 3.526 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.108 3.752 3.856 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.091 3.855 2.554 1.00 0.00 C ATOM 0 H THR A 90 1.657 4.790 5.012 1.00 0.00 H new ATOM 0 HA THR A 90 1.415 1.924 4.632 1.00 0.00 H new ATOM 0 HB THR A 90 3.170 2.096 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.884 3.178 3.688 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.680 4.054 1.659 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.194 3.299 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.806 4.799 3.018 1.00 0.00 H new ATOM 1479 N SER A 91 3.256 1.047 6.037 1.00 0.00 N ATOM 1480 CA SER A 91 4.209 0.468 6.969 1.00 0.00 C ATOM 1481 C SER A 91 5.271 -0.255 6.149 1.00 0.00 C ATOM 1482 O SER A 91 5.330 -1.485 6.121 1.00 0.00 O ATOM 1483 CB SER A 91 3.504 -0.500 7.923 1.00 0.00 C ATOM 1484 OG SER A 91 3.145 0.145 9.132 1.00 0.00 O ATOM 0 H SER A 91 2.711 0.354 5.524 1.00 0.00 H new ATOM 0 HA SER A 91 4.669 1.245 7.579 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.612 -0.903 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.159 -1.344 8.138 1.00 0.00 H new ATOM 0 HG SER A 91 2.695 -0.494 9.723 1.00 0.00 H new ATOM 1490 N SER A 92 6.100 0.535 5.470 1.00 0.00 N ATOM 1491 CA SER A 92 7.134 0.008 4.585 1.00 0.00 C ATOM 1492 C SER A 92 8.403 -0.375 5.329 1.00 0.00 C ATOM 1493 O SER A 92 8.990 0.429 6.041 1.00 0.00 O ATOM 1494 CB SER A 92 7.464 1.041 3.513 1.00 0.00 C ATOM 1495 OG SER A 92 6.334 1.842 3.215 1.00 0.00 O ATOM 0 H SER A 92 6.074 1.554 5.518 1.00 0.00 H new ATOM 0 HA SER A 92 6.738 -0.901 4.131 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.284 1.674 3.853 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.805 0.536 2.609 1.00 0.00 H new ATOM 0 HG SER A 92 6.455 2.265 2.339 1.00 0.00 H new ATOM 1501 N GLN A 93 8.827 -1.612 5.140 1.00 0.00 N ATOM 1502 CA GLN A 93 10.038 -2.117 5.763 1.00 0.00 C ATOM 1503 C GLN A 93 10.496 -3.369 5.040 1.00 0.00 C ATOM 1504 O GLN A 93 9.673 -4.173 4.611 1.00 0.00 O ATOM 1505 CB GLN A 93 9.806 -2.408 7.241 1.00 0.00 C ATOM 1506 CG GLN A 93 8.755 -3.469 7.505 1.00 0.00 C ATOM 1507 CD GLN A 93 8.627 -3.781 8.977 1.00 0.00 C ATOM 1508 OE1 GLN A 93 7.566 -4.188 9.454 1.00 0.00 O ATOM 1509 NE2 GLN A 93 9.713 -3.580 9.706 1.00 0.00 N ATOM 0 H GLN A 93 8.344 -2.292 4.553 1.00 0.00 H new ATOM 0 HA GLN A 93 10.816 -1.357 5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.747 -2.724 7.690 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.509 -1.485 7.740 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.793 -3.130 7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.013 -4.378 6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.568 -3.242 9.265 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.695 -3.763 10.709 1.00 0.00 H new ATOM 1518 N THR A 94 11.807 -3.535 4.916 1.00 0.00 N ATOM 1519 CA THR A 94 12.373 -4.678 4.217 1.00 0.00 C ATOM 1520 C THR A 94 11.600 -5.953 4.515 1.00 0.00 C ATOM 1521 O THR A 94 11.516 -6.396 5.661 1.00 0.00 O ATOM 1522 CB THR A 94 13.849 -4.855 4.586 1.00 0.00 C ATOM 1523 OG1 THR A 94 13.970 -5.424 5.896 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.546 -3.506 4.546 1.00 0.00 C ATOM 0 H THR A 94 12.500 -2.888 5.293 1.00 0.00 H new ATOM 0 HA THR A 94 12.296 -4.482 3.148 1.00 0.00 H new ATOM 0 HB THR A 94 14.316 -5.529 3.868 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.079 -5.640 6.242 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.596 -3.631 4.809 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.470 -3.087 3.543 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.072 -2.830 5.258 1.00 0.00 H new ATOM 1532 N ALA A 95 11.030 -6.526 3.461 1.00 0.00 N ATOM 1533 CA ALA A 95 10.231 -7.738 3.566 1.00 0.00 C ATOM 1534 C ALA A 95 10.957 -8.849 4.320 1.00 0.00 C ATOM 1535 O ALA A 95 12.141 -8.735 4.636 1.00 0.00 O ATOM 1536 CB ALA A 95 9.833 -8.211 2.181 1.00 0.00 C ATOM 0 H ALA A 95 11.110 -6.163 2.511 1.00 0.00 H new ATOM 0 HA ALA A 95 9.338 -7.495 4.142 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.235 -9.119 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.249 -7.436 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.729 -8.419 1.596 1.00 0.00 H new ATOM 1542 N GLN A 96 10.232 -9.925 4.596 1.00 0.00 N ATOM 1543 CA GLN A 96 10.781 -11.062 5.319 1.00 0.00 C ATOM 1544 C GLN A 96 11.818 -11.803 4.496 1.00 0.00 C ATOM 1545 O GLN A 96 13.012 -11.508 4.575 1.00 0.00 O ATOM 1546 CB GLN A 96 9.654 -11.998 5.726 1.00 0.00 C ATOM 1547 CG GLN A 96 8.489 -11.270 6.366 1.00 0.00 C ATOM 1548 CD GLN A 96 8.791 -10.812 7.779 1.00 0.00 C ATOM 1549 OE1 GLN A 96 8.551 -11.538 8.743 1.00 0.00 O ATOM 1550 NE2 GLN A 96 9.320 -9.601 7.909 1.00 0.00 N ATOM 0 H GLN A 96 9.254 -10.033 4.327 1.00 0.00 H new ATOM 0 HA GLN A 96 11.284 -10.689 6.211 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.301 -12.538 4.847 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.039 -12.742 6.424 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.227 -10.405 5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.619 -11.926 6.379 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.503 -9.033 7.082 1.00 0.00 H new ATOM 0 HE22 GLN A 96 9.544 -9.239 8.836 1.00 0.00 H new ATOM 1619 N ASP A 101 15.319 -8.327 0.428 1.00 0.00 N ATOM 1620 CA ASP A 101 15.875 -7.203 -0.316 1.00 0.00 C ATOM 1621 C ASP A 101 14.756 -6.300 -0.826 1.00 0.00 C ATOM 1622 O ASP A 101 15.009 -5.226 -1.370 1.00 0.00 O ATOM 1623 CB ASP A 101 16.723 -7.705 -1.486 1.00 0.00 C ATOM 1624 CG ASP A 101 15.944 -8.609 -2.421 1.00 0.00 C ATOM 1625 OD1 ASP A 101 15.662 -9.762 -2.034 1.00 0.00 O ATOM 1626 OD2 ASP A 101 15.618 -8.164 -3.542 1.00 0.00 O ATOM 0 HA ASP A 101 16.513 -6.626 0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.106 -6.852 -2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.587 -8.246 -1.099 1.00 0.00 H new ATOM 1631 N GLU A 102 13.517 -6.749 -0.642 1.00 0.00 N ATOM 1632 CA GLU A 102 12.354 -5.994 -1.071 1.00 0.00 C ATOM 1633 C GLU A 102 11.855 -5.087 0.037 1.00 0.00 C ATOM 1634 O GLU A 102 12.607 -4.714 0.938 1.00 0.00 O ATOM 1635 CB GLU A 102 11.245 -6.935 -1.486 1.00 0.00 C ATOM 1636 CG GLU A 102 11.532 -7.647 -2.782 1.00 0.00 C ATOM 1637 CD GLU A 102 12.210 -6.771 -3.819 1.00 0.00 C ATOM 1638 OE1 GLU A 102 13.450 -6.630 -3.762 1.00 0.00 O ATOM 1639 OE2 GLU A 102 11.500 -6.231 -4.693 1.00 0.00 O ATOM 0 H GLU A 102 13.297 -7.639 -0.195 1.00 0.00 H new ATOM 0 HA GLU A 102 12.649 -5.379 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.089 -7.673 -0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.317 -6.373 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.164 -8.512 -2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.596 -8.026 -3.194 1.00 0.00 H new ATOM 1646 N ILE A 103 10.578 -4.740 -0.037 1.00 0.00 N ATOM 1647 CA ILE A 103 9.970 -3.866 0.957 1.00 0.00 C ATOM 1648 C ILE A 103 8.502 -4.199 1.194 1.00 0.00 C ATOM 1649 O ILE A 103 7.647 -3.972 0.336 1.00 0.00 O ATOM 1650 CB ILE A 103 10.087 -2.381 0.542 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.558 -1.995 0.365 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.393 -1.473 1.558 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.778 -0.629 -0.247 1.00 0.00 C ATOM 0 H ILE A 103 9.944 -5.049 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 103 10.518 -4.031 1.884 1.00 0.00 H new ATOM 0 HB ILE A 103 9.582 -2.247 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.049 -2.027 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.044 -2.743 -0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.490 -0.434 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.337 -1.737 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 103 9.857 -1.600 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.847 -0.438 -0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.320 -0.595 -1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.325 0.132 0.389 1.00 0.00 H new ATOM 1665 N GLU A 104 8.230 -4.753 2.370 1.00 0.00 N ATOM 1666 CA GLU A 104 6.881 -5.098 2.778 1.00 0.00 C ATOM 1667 C GLU A 104 6.163 -3.846 3.263 1.00 0.00 C ATOM 1668 O GLU A 104 6.477 -3.315 4.329 1.00 0.00 O ATOM 1669 CB GLU A 104 6.930 -6.132 3.897 1.00 0.00 C ATOM 1670 CG GLU A 104 5.679 -6.982 3.998 1.00 0.00 C ATOM 1671 CD GLU A 104 5.802 -8.080 5.040 1.00 0.00 C ATOM 1672 OE1 GLU A 104 5.541 -7.802 6.229 1.00 0.00 O ATOM 1673 OE2 GLU A 104 6.160 -9.217 4.664 1.00 0.00 O ATOM 0 H GLU A 104 8.942 -4.974 3.066 1.00 0.00 H new ATOM 0 HA GLU A 104 6.341 -5.518 1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.789 -6.784 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.088 -5.620 4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.830 -6.345 4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.469 -7.430 3.027 1.00 0.00 H new ATOM 1680 N THR A 105 5.205 -3.379 2.481 1.00 0.00 N ATOM 1681 CA THR A 105 4.466 -2.173 2.820 1.00 0.00 C ATOM 1682 C THR A 105 3.008 -2.471 3.150 1.00 0.00 C ATOM 1683 O THR A 105 2.246 -2.924 2.295 1.00 0.00 O ATOM 1684 CB THR A 105 4.550 -1.156 1.669 1.00 0.00 C ATOM 1685 OG1 THR A 105 5.869 -0.608 1.622 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.537 -0.031 1.828 1.00 0.00 C ATOM 0 H THR A 105 4.920 -3.817 1.605 1.00 0.00 H new ATOM 0 HA THR A 105 4.926 -1.749 3.713 1.00 0.00 H new ATOM 0 HB THR A 105 4.320 -1.679 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.079 -0.340 0.703 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.631 0.664 0.994 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.530 -0.448 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.724 0.497 2.763 1.00 0.00 H new ATOM 1694 N ILE A 106 2.629 -2.212 4.399 1.00 0.00 N ATOM 1695 CA ILE A 106 1.259 -2.436 4.842 1.00 0.00 C ATOM 1696 C ILE A 106 0.434 -1.166 4.696 1.00 0.00 C ATOM 1697 O ILE A 106 0.540 -0.248 5.508 1.00 0.00 O ATOM 1698 CB ILE A 106 1.185 -2.905 6.310 1.00 0.00 C ATOM 1699 CG1 ILE A 106 1.821 -4.288 6.466 1.00 0.00 C ATOM 1700 CG2 ILE A 106 -0.266 -2.926 6.788 1.00 0.00 C ATOM 1701 CD1 ILE A 106 3.334 -4.271 6.426 1.00 0.00 C ATOM 0 H ILE A 106 3.252 -1.847 5.120 1.00 0.00 H new ATOM 0 HA ILE A 106 0.856 -3.225 4.207 1.00 0.00 H new ATOM 0 HB ILE A 106 1.743 -2.200 6.926 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.496 -4.723 7.411 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.453 -4.939 5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.303 -3.259 7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.688 -1.924 6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.844 -3.610 6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 106 3.712 -5.286 6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.668 -3.867 5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.712 -3.647 7.236 1.00 0.00 H new ATOM 1713 N ILE A 107 -0.381 -1.118 3.654 1.00 0.00 N ATOM 1714 CA ILE A 107 -1.223 0.037 3.404 1.00 0.00 C ATOM 1715 C ILE A 107 -2.509 -0.038 4.226 1.00 0.00 C ATOM 1716 O ILE A 107 -3.389 -0.847 3.941 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.563 0.143 1.916 1.00 0.00 C ATOM 1718 CG1 ILE A 107 -0.273 0.277 1.110 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.484 1.326 1.675 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.476 0.143 -0.376 1.00 0.00 C ATOM 0 H ILE A 107 -0.476 -1.867 2.968 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.669 0.926 3.705 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.084 -0.758 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.179 1.246 1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.434 -0.483 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.720 1.393 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.404 1.192 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.990 2.243 1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.482 0.249 -0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.899 -0.837 -0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.158 0.920 -0.722 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.616 0.818 5.239 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.784 0.825 6.120 1.00 0.00 C ATOM 1734 C CYS A 108 -4.702 2.018 5.861 1.00 0.00 C ATOM 1735 O CYS A 108 -4.261 3.165 5.848 1.00 0.00 O ATOM 1736 CB CYS A 108 -3.326 0.840 7.579 1.00 0.00 C ATOM 1737 SG CYS A 108 -4.656 1.121 8.772 1.00 0.00 S ATOM 0 H CYS A 108 -1.909 1.516 5.471 1.00 0.00 H new ATOM 0 HA CYS A 108 -4.355 -0.079 5.910 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.844 -0.111 7.806 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.572 1.617 7.703 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.724 0.488 8.388 1.00 0.00 H new ATOM 1743 N THR A 109 -5.989 1.733 5.666 1.00 0.00 N ATOM 1744 CA THR A 109 -6.983 2.776 5.431 1.00 0.00 C ATOM 1745 C THR A 109 -7.084 3.698 6.643 1.00 0.00 C ATOM 1746 O THR A 109 -7.044 3.237 7.783 1.00 0.00 O ATOM 1747 CB THR A 109 -8.374 2.171 5.168 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.753 1.320 6.255 1.00 0.00 O ATOM 1749 CG2 THR A 109 -8.385 1.381 3.873 1.00 0.00 C ATOM 0 H THR A 109 -6.367 0.786 5.666 1.00 0.00 H new ATOM 0 HA THR A 109 -6.660 3.338 4.555 1.00 0.00 H new ATOM 0 HB THR A 109 -9.089 2.989 5.081 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.640 0.941 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.379 0.964 3.710 1.00 0.00 H new ATOM 0 HG22 THR A 109 -8.127 2.039 3.043 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.657 0.572 3.934 1.00 0.00 H new ATOM 1757 N ASN A 110 -7.216 4.997 6.397 1.00 0.00 N ATOM 1758 CA ASN A 110 -7.331 5.965 7.482 1.00 0.00 C ATOM 1759 C ASN A 110 -8.743 6.561 7.523 1.00 0.00 C ATOM 1760 O ASN A 110 -9.726 5.823 7.494 1.00 0.00 O ATOM 1761 CB ASN A 110 -6.278 7.067 7.327 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.962 7.754 8.643 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -6.845 8.314 9.294 1.00 0.00 O ATOM 1764 ND2 ASN A 110 -4.696 7.712 9.046 1.00 0.00 N ATOM 0 H ASN A 110 -7.246 5.402 5.462 1.00 0.00 H new ATOM 0 HA ASN A 110 -7.152 5.452 8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -5.364 6.638 6.916 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -6.633 7.807 6.610 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.425 8.154 9.924 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.995 7.238 8.477 1.00 0.00 H new