USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 559 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 44 CYS SG : rot 11:sc= 0.133! USER MOD Set 1.2: A 67 SER OG : rot 164:sc= -0.481! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -3.27 F(o=-6.4!,f=-3.3) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 CYS SG : rot -51:sc= -3.21! USER MOD Single : A 51 MET CE :methyl 174:sc= -0.99 (180deg=-1.3) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 114:sc= -0.211 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0557 F(o=-1.9!,f=-0.056) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -2.16! C(o=-4.8!,f=-2.2!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0648 K(o=-0.065,f=-1.6!) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N ARG A 20 -13.207 -4.251 -14.175 1.00 0.00 N ATOM 68 CA ARG A 20 -13.948 -3.212 -13.416 1.00 0.00 C ATOM 69 C ARG A 20 -13.085 -1.950 -13.230 1.00 0.00 C ATOM 70 O ARG A 20 -11.882 -2.039 -13.081 1.00 0.00 O ATOM 71 CB ARG A 20 -14.284 -3.782 -12.028 1.00 0.00 C ATOM 72 CG ARG A 20 -15.557 -4.627 -12.127 1.00 0.00 C ATOM 73 CD ARG A 20 -15.232 -5.952 -12.822 1.00 0.00 C ATOM 74 NE ARG A 20 -15.468 -5.803 -14.285 1.00 0.00 N ATOM 75 CZ ARG A 20 -16.692 -5.771 -14.735 1.00 0.00 C ATOM 76 NH1 ARG A 20 -17.355 -4.648 -14.684 1.00 0.00 N ATOM 77 NH2 ARG A 20 -17.213 -6.864 -15.222 1.00 0.00 N ATOM 0 HA ARG A 20 -14.850 -2.943 -13.966 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.457 -4.390 -11.661 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -14.426 -2.971 -11.313 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.961 -4.814 -11.132 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.322 -4.088 -12.686 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.195 -6.231 -12.634 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.855 -6.751 -12.420 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.680 -5.727 -14.929 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.915 -3.813 -14.297 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.313 -4.605 -15.031 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.665 -7.724 -15.246 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.169 -6.859 -15.579 1.00 0.00 H new ATOM 91 N PRO A 21 -13.726 -0.786 -13.243 1.00 0.00 N ATOM 92 CA PRO A 21 -13.012 0.481 -13.074 1.00 0.00 C ATOM 93 C PRO A 21 -12.316 0.560 -11.717 1.00 0.00 C ATOM 94 O PRO A 21 -11.156 0.913 -11.631 1.00 0.00 O ATOM 95 CB PRO A 21 -14.107 1.566 -13.142 1.00 0.00 C ATOM 96 CG PRO A 21 -15.477 0.838 -13.287 1.00 0.00 C ATOM 97 CD PRO A 21 -15.180 -0.663 -13.434 1.00 0.00 C ATOM 0 HA PRO A 21 -12.239 0.596 -13.834 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -14.093 2.182 -12.243 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.935 2.232 -13.987 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -16.105 1.022 -12.415 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.020 1.210 -14.156 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -15.726 -1.247 -12.693 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -15.481 -1.030 -14.415 1.00 0.00 H new ATOM 105 N GLU A 22 -13.045 0.235 -10.682 1.00 0.00 N ATOM 106 CA GLU A 22 -12.454 0.280 -9.318 1.00 0.00 C ATOM 107 C GLU A 22 -11.034 -0.271 -9.312 1.00 0.00 C ATOM 108 O GLU A 22 -10.261 0.013 -8.420 1.00 0.00 O ATOM 109 CB GLU A 22 -13.323 -0.580 -8.385 1.00 0.00 C ATOM 110 CG GLU A 22 -13.184 -2.052 -8.786 1.00 0.00 C ATOM 111 CD GLU A 22 -12.453 -2.814 -7.678 1.00 0.00 C ATOM 112 OE1 GLU A 22 -13.110 -3.094 -6.689 1.00 0.00 O ATOM 113 OE2 GLU A 22 -11.278 -3.072 -7.883 1.00 0.00 O ATOM 0 H GLU A 22 -14.021 -0.058 -10.725 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.421 1.317 -8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.013 -0.442 -7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.366 -0.269 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.168 -2.489 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.634 -2.135 -9.723 1.00 0.00 H new ATOM 120 N GLU A 23 -10.717 -1.051 -10.304 1.00 0.00 N ATOM 121 CA GLU A 23 -9.353 -1.625 -10.366 1.00 0.00 C ATOM 122 C GLU A 23 -8.342 -0.570 -10.797 1.00 0.00 C ATOM 123 O GLU A 23 -7.390 -0.295 -10.095 1.00 0.00 O ATOM 124 CB GLU A 23 -9.354 -2.759 -11.399 1.00 0.00 C ATOM 125 CG GLU A 23 -8.034 -3.525 -11.300 1.00 0.00 C ATOM 126 CD GLU A 23 -7.866 -4.406 -12.539 1.00 0.00 C ATOM 127 OE1 GLU A 23 -8.813 -5.117 -12.831 1.00 0.00 O ATOM 128 OE2 GLU A 23 -6.798 -4.317 -13.125 1.00 0.00 O ATOM 0 H GLU A 23 -11.340 -1.313 -11.068 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.074 -1.993 -9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.193 -3.431 -11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.479 -2.353 -12.403 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.201 -2.827 -11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.023 -4.139 -10.399 1.00 0.00 H new ATOM 135 N ILE A 24 -8.570 0.000 -11.945 1.00 0.00 N ATOM 136 CA ILE A 24 -7.636 1.036 -12.440 1.00 0.00 C ATOM 137 C ILE A 24 -7.587 2.224 -11.494 1.00 0.00 C ATOM 138 O ILE A 24 -6.658 3.007 -11.527 1.00 0.00 O ATOM 139 CB ILE A 24 -8.129 1.511 -13.805 1.00 0.00 C ATOM 140 CG1 ILE A 24 -8.335 0.314 -14.727 1.00 0.00 C ATOM 141 CG2 ILE A 24 -7.064 2.431 -14.422 1.00 0.00 C ATOM 142 CD1 ILE A 24 -6.983 -0.123 -15.301 1.00 0.00 C ATOM 0 H ILE A 24 -9.359 -0.208 -12.557 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.635 0.609 -12.509 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.072 2.044 -13.685 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.792 -0.509 -14.177 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.018 0.576 -15.535 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.404 2.778 -15.398 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.901 3.288 -13.769 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.130 1.881 -14.537 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.127 -0.979 -15.961 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.544 0.700 -15.865 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.315 -0.402 -14.486 1.00 0.00 H new ATOM 154 N GLU A 25 -8.586 2.348 -10.666 1.00 0.00 N ATOM 155 CA GLU A 25 -8.592 3.484 -9.722 1.00 0.00 C ATOM 156 C GLU A 25 -7.747 3.167 -8.501 1.00 0.00 C ATOM 157 O GLU A 25 -6.994 3.998 -8.034 1.00 0.00 O ATOM 158 CB GLU A 25 -10.039 3.751 -9.280 1.00 0.00 C ATOM 159 CG GLU A 25 -10.786 4.444 -10.422 1.00 0.00 C ATOM 160 CD GLU A 25 -12.280 4.481 -10.103 1.00 0.00 C ATOM 161 OE1 GLU A 25 -12.753 3.471 -9.608 1.00 0.00 O ATOM 162 OE2 GLU A 25 -12.866 5.516 -10.374 1.00 0.00 O ATOM 0 H GLU A 25 -9.386 1.718 -10.606 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.176 4.362 -10.216 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.533 2.815 -9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.051 4.376 -8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.407 5.457 -10.557 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.616 3.912 -11.358 1.00 0.00 H new ATOM 169 N GLU A 26 -7.882 1.972 -8.000 1.00 0.00 N ATOM 170 CA GLU A 26 -7.085 1.600 -6.811 1.00 0.00 C ATOM 171 C GLU A 26 -5.614 1.565 -7.170 1.00 0.00 C ATOM 172 O GLU A 26 -4.763 1.831 -6.346 1.00 0.00 O ATOM 173 CB GLU A 26 -7.520 0.201 -6.343 1.00 0.00 C ATOM 174 CG GLU A 26 -6.883 -0.098 -4.984 1.00 0.00 C ATOM 175 CD GLU A 26 -7.352 0.942 -3.961 1.00 0.00 C ATOM 176 OE1 GLU A 26 -8.551 0.971 -3.731 1.00 0.00 O ATOM 177 OE2 GLU A 26 -6.487 1.646 -3.468 1.00 0.00 O ATOM 0 H GLU A 26 -8.503 1.248 -8.360 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.246 2.332 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.606 0.152 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.217 -0.550 -7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.159 -1.099 -4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.796 -0.078 -5.067 1.00 0.00 H new ATOM 184 N LEU A 27 -5.338 1.236 -8.401 1.00 0.00 N ATOM 185 CA LEU A 27 -3.930 1.182 -8.832 1.00 0.00 C ATOM 186 C LEU A 27 -3.362 2.581 -8.889 1.00 0.00 C ATOM 187 O LEU A 27 -2.389 2.891 -8.231 1.00 0.00 O ATOM 188 CB LEU A 27 -3.876 0.575 -10.240 1.00 0.00 C ATOM 189 CG LEU A 27 -3.176 -0.777 -10.188 1.00 0.00 C ATOM 190 CD1 LEU A 27 -3.374 -1.472 -11.530 1.00 0.00 C ATOM 191 CD2 LEU A 27 -1.677 -0.571 -9.945 1.00 0.00 C ATOM 0 H LEU A 27 -6.027 1.005 -9.117 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.353 0.581 -8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.885 0.458 -10.635 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.344 1.245 -10.916 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.591 -1.381 -9.381 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.879 -2.443 -11.513 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.439 -1.610 -11.714 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.945 -0.860 -12.323 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.178 -1.539 -9.908 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.255 0.024 -10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.530 -0.051 -8.999 1.00 0.00 H new ATOM 203 N ARG A 28 -3.986 3.407 -9.685 1.00 0.00 N ATOM 204 CA ARG A 28 -3.504 4.799 -9.806 1.00 0.00 C ATOM 205 C ARG A 28 -3.173 5.366 -8.436 1.00 0.00 C ATOM 206 O ARG A 28 -2.184 6.053 -8.271 1.00 0.00 O ATOM 207 CB ARG A 28 -4.611 5.653 -10.449 1.00 0.00 C ATOM 208 CG ARG A 28 -3.968 6.799 -11.234 1.00 0.00 C ATOM 209 CD ARG A 28 -5.060 7.589 -11.960 1.00 0.00 C ATOM 210 NE ARG A 28 -5.365 8.823 -11.182 1.00 0.00 N ATOM 211 CZ ARG A 28 -6.031 8.728 -10.066 1.00 0.00 C ATOM 212 NH1 ARG A 28 -7.102 7.982 -10.031 1.00 0.00 N ATOM 213 NH2 ARG A 28 -5.606 9.383 -9.019 1.00 0.00 N ATOM 0 H ARG A 28 -4.802 3.174 -10.250 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.604 4.814 -10.421 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.222 5.040 -11.112 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.274 6.050 -9.680 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.417 7.454 -10.559 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.249 6.405 -11.953 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.730 7.850 -12.966 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.958 6.980 -12.067 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.055 9.734 -11.520 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.405 7.485 -10.869 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.636 7.896 -9.166 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.765 9.957 -9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.115 9.320 -8.137 1.00 0.00 H new ATOM 227 N GLU A 29 -4.004 5.073 -7.471 1.00 0.00 N ATOM 228 CA GLU A 29 -3.731 5.595 -6.117 1.00 0.00 C ATOM 229 C GLU A 29 -2.460 4.969 -5.582 1.00 0.00 C ATOM 230 O GLU A 29 -1.656 5.626 -4.954 1.00 0.00 O ATOM 231 CB GLU A 29 -4.902 5.220 -5.196 1.00 0.00 C ATOM 232 CG GLU A 29 -5.974 6.311 -5.270 1.00 0.00 C ATOM 233 CD GLU A 29 -7.041 6.045 -4.207 1.00 0.00 C ATOM 234 OE1 GLU A 29 -6.781 5.188 -3.380 1.00 0.00 O ATOM 235 OE2 GLU A 29 -8.058 6.715 -4.284 1.00 0.00 O ATOM 0 H GLU A 29 -4.845 4.503 -7.566 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.615 6.678 -6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.322 4.260 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.551 5.108 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.523 7.291 -5.112 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.427 6.325 -6.261 1.00 0.00 H new ATOM 242 N ALA A 30 -2.298 3.704 -5.850 1.00 0.00 N ATOM 243 CA ALA A 30 -1.086 3.015 -5.368 1.00 0.00 C ATOM 244 C ALA A 30 0.152 3.608 -6.022 1.00 0.00 C ATOM 245 O ALA A 30 1.060 4.047 -5.349 1.00 0.00 O ATOM 246 CB ALA A 30 -1.186 1.530 -5.752 1.00 0.00 C ATOM 0 H ALA A 30 -2.952 3.127 -6.379 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.008 3.132 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.298 1.003 -5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.071 1.093 -5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.260 1.439 -6.836 1.00 0.00 H new ATOM 252 N PHE A 31 0.162 3.623 -7.329 1.00 0.00 N ATOM 253 CA PHE A 31 1.335 4.186 -8.037 1.00 0.00 C ATOM 254 C PHE A 31 1.700 5.535 -7.468 1.00 0.00 C ATOM 255 O PHE A 31 2.857 5.865 -7.338 1.00 0.00 O ATOM 256 CB PHE A 31 0.961 4.384 -9.511 1.00 0.00 C ATOM 257 CG PHE A 31 2.229 4.628 -10.336 1.00 0.00 C ATOM 258 CD1 PHE A 31 3.129 3.604 -10.544 1.00 0.00 C ATOM 259 CD2 PHE A 31 2.471 5.863 -10.918 1.00 0.00 C ATOM 260 CE1 PHE A 31 4.247 3.803 -11.325 1.00 0.00 C ATOM 261 CE2 PHE A 31 3.594 6.058 -11.698 1.00 0.00 C ATOM 262 CZ PHE A 31 4.479 5.028 -11.900 1.00 0.00 C ATOM 0 H PHE A 31 -0.586 3.272 -7.927 1.00 0.00 H new ATOM 0 HA PHE A 31 2.177 3.504 -7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.436 3.505 -9.884 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.280 5.229 -9.613 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.956 2.639 -10.091 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.778 6.676 -10.761 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.943 2.993 -11.485 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.776 7.022 -12.150 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.357 5.181 -12.510 1.00 0.00 H new ATOM 272 N ARG A 32 0.700 6.283 -7.120 1.00 0.00 N ATOM 273 CA ARG A 32 0.965 7.634 -6.553 1.00 0.00 C ATOM 274 C ARG A 32 1.200 7.576 -5.059 1.00 0.00 C ATOM 275 O ARG A 32 2.192 8.079 -4.574 1.00 0.00 O ATOM 276 CB ARG A 32 -0.250 8.519 -6.817 1.00 0.00 C ATOM 277 CG ARG A 32 0.036 9.928 -6.289 1.00 0.00 C ATOM 278 CD ARG A 32 -1.044 10.889 -6.797 1.00 0.00 C ATOM 279 NE ARG A 32 -0.934 11.007 -8.278 1.00 0.00 N ATOM 280 CZ ARG A 32 -0.478 12.111 -8.803 1.00 0.00 C ATOM 281 NH1 ARG A 32 0.250 12.908 -8.068 1.00 0.00 N ATOM 282 NH2 ARG A 32 -0.762 12.381 -10.047 1.00 0.00 N ATOM 0 H ARG A 32 -0.283 6.025 -7.201 1.00 0.00 H new ATOM 0 HA ARG A 32 1.861 8.034 -7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.466 8.554 -7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.131 8.105 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.052 9.924 -5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.020 10.260 -6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.033 10.523 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.925 11.868 -6.332 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.213 10.230 -8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.454 12.663 -7.099 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.614 13.775 -8.463 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.332 11.734 -10.592 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.414 13.239 -10.475 1.00 0.00 H new ATOM 296 N GLU A 33 0.280 6.978 -4.347 1.00 0.00 N ATOM 297 CA GLU A 33 0.461 6.894 -2.884 1.00 0.00 C ATOM 298 C GLU A 33 1.875 6.455 -2.575 1.00 0.00 C ATOM 299 O GLU A 33 2.352 6.608 -1.466 1.00 0.00 O ATOM 300 CB GLU A 33 -0.517 5.858 -2.320 1.00 0.00 C ATOM 301 CG GLU A 33 -0.452 5.899 -0.795 1.00 0.00 C ATOM 302 CD GLU A 33 -1.665 5.168 -0.218 1.00 0.00 C ATOM 303 OE1 GLU A 33 -2.761 5.613 -0.521 1.00 0.00 O ATOM 304 OE2 GLU A 33 -1.431 4.206 0.495 1.00 0.00 O ATOM 0 H GLU A 33 -0.571 6.554 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 33 0.274 7.870 -2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.530 6.071 -2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.262 4.862 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.469 5.431 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.436 6.932 -0.448 1.00 0.00 H new ATOM 311 N PHE A 34 2.518 5.914 -3.579 1.00 0.00 N ATOM 312 CA PHE A 34 3.904 5.446 -3.408 1.00 0.00 C ATOM 313 C PHE A 34 4.870 6.353 -4.151 1.00 0.00 C ATOM 314 O PHE A 34 6.041 6.395 -3.836 1.00 0.00 O ATOM 315 CB PHE A 34 4.016 4.034 -3.995 1.00 0.00 C ATOM 316 CG PHE A 34 3.658 3.010 -2.919 1.00 0.00 C ATOM 317 CD1 PHE A 34 4.452 2.868 -1.794 1.00 0.00 C ATOM 318 CD2 PHE A 34 2.540 2.207 -3.059 1.00 0.00 C ATOM 319 CE1 PHE A 34 4.134 1.935 -0.828 1.00 0.00 C ATOM 320 CE2 PHE A 34 2.225 1.276 -2.091 1.00 0.00 C ATOM 321 CZ PHE A 34 3.021 1.140 -0.979 1.00 0.00 C ATOM 0 H PHE A 34 2.129 5.781 -4.512 1.00 0.00 H new ATOM 0 HA PHE A 34 4.153 5.453 -2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.348 3.929 -4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.028 3.858 -4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.326 3.491 -1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.911 2.310 -3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.759 1.829 0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.351 0.653 -2.207 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.773 0.409 -0.224 1.00 0.00 H new ATOM 331 N ASP A 35 4.372 7.074 -5.135 1.00 0.00 N ATOM 332 CA ASP A 35 5.287 7.970 -5.880 1.00 0.00 C ATOM 333 C ASP A 35 5.829 9.067 -4.970 1.00 0.00 C ATOM 334 O ASP A 35 6.693 8.813 -4.158 1.00 0.00 O ATOM 335 CB ASP A 35 4.535 8.609 -7.060 1.00 0.00 C ATOM 336 CG ASP A 35 5.550 9.292 -7.983 1.00 0.00 C ATOM 337 OD1 ASP A 35 6.719 8.941 -7.857 1.00 0.00 O ATOM 338 OD2 ASP A 35 5.103 10.120 -8.762 1.00 0.00 O ATOM 0 H ASP A 35 3.398 7.075 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 35 6.124 7.379 -6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.978 7.849 -7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.809 9.335 -6.695 1.00 0.00 H new ATOM 343 N LYS A 36 5.307 10.267 -5.108 1.00 0.00 N ATOM 344 CA LYS A 36 5.795 11.387 -4.248 1.00 0.00 C ATOM 345 C LYS A 36 7.251 11.702 -4.572 1.00 0.00 C ATOM 346 O LYS A 36 7.673 12.840 -4.533 1.00 0.00 O ATOM 347 CB LYS A 36 5.693 10.965 -2.766 1.00 0.00 C ATOM 348 CG LYS A 36 5.544 12.219 -1.899 1.00 0.00 C ATOM 349 CD LYS A 36 5.229 11.801 -0.457 1.00 0.00 C ATOM 350 CE LYS A 36 5.370 13.018 0.466 1.00 0.00 C ATOM 351 NZ LYS A 36 4.031 13.579 0.804 1.00 0.00 N ATOM 0 H LYS A 36 4.573 10.513 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 36 5.186 12.271 -4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.839 10.303 -2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.582 10.407 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.462 12.807 -1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.747 12.853 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.218 11.399 -0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.907 11.009 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.891 12.730 1.379 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.978 13.781 -0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.147 14.402 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.547 13.873 -0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.463 12.854 1.287 1.00 0.00 H new ATOM 365 N ASP A 37 7.984 10.679 -4.889 1.00 0.00 N ATOM 366 CA ASP A 37 9.412 10.859 -5.227 1.00 0.00 C ATOM 367 C ASP A 37 9.607 12.060 -6.142 1.00 0.00 C ATOM 368 O ASP A 37 10.696 12.584 -6.259 1.00 0.00 O ATOM 369 CB ASP A 37 9.868 9.598 -5.972 1.00 0.00 C ATOM 370 CG ASP A 37 11.342 9.320 -5.682 1.00 0.00 C ATOM 371 OD1 ASP A 37 11.948 10.180 -5.064 1.00 0.00 O ATOM 372 OD2 ASP A 37 11.779 8.257 -6.097 1.00 0.00 O ATOM 0 H ASP A 37 7.649 9.716 -4.928 1.00 0.00 H new ATOM 0 HA ASP A 37 9.986 11.024 -4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.262 8.746 -5.665 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.718 9.726 -7.044 1.00 0.00 H new ATOM 377 N LYS A 38 8.548 12.471 -6.780 1.00 0.00 N ATOM 378 CA LYS A 38 8.651 13.635 -7.691 1.00 0.00 C ATOM 379 C LYS A 38 9.401 13.256 -8.979 1.00 0.00 C ATOM 380 O LYS A 38 10.220 14.006 -9.470 1.00 0.00 O ATOM 381 CB LYS A 38 9.420 14.753 -6.953 1.00 0.00 C ATOM 382 CG LYS A 38 8.731 16.094 -7.217 1.00 0.00 C ATOM 383 CD LYS A 38 8.809 16.420 -8.711 1.00 0.00 C ATOM 384 CE LYS A 38 8.088 17.748 -8.975 1.00 0.00 C ATOM 385 NZ LYS A 38 8.242 18.157 -10.401 1.00 0.00 N ATOM 0 H LYS A 38 7.621 12.051 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 38 7.652 13.971 -7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.446 14.548 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.454 14.788 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.690 16.050 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.210 16.882 -6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.850 16.488 -9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.351 15.621 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.030 17.648 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.492 18.523 -8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.747 19.058 -10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.252 18.273 -10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.835 17.425 -11.018 1.00 0.00 H new ATOM 399 N ASP A 39 9.085 12.091 -9.506 1.00 0.00 N ATOM 400 CA ASP A 39 9.762 11.637 -10.758 1.00 0.00 C ATOM 401 C ASP A 39 8.759 11.010 -11.729 1.00 0.00 C ATOM 402 O ASP A 39 9.118 10.599 -12.816 1.00 0.00 O ATOM 403 CB ASP A 39 10.808 10.580 -10.380 1.00 0.00 C ATOM 404 CG ASP A 39 10.172 9.562 -9.436 1.00 0.00 C ATOM 405 OD1 ASP A 39 8.970 9.667 -9.259 1.00 0.00 O ATOM 406 OD2 ASP A 39 10.924 8.738 -8.941 1.00 0.00 O ATOM 0 H ASP A 39 8.394 11.445 -9.124 1.00 0.00 H new ATOM 0 HA ASP A 39 10.224 12.496 -11.244 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.179 10.082 -11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.665 11.054 -9.900 1.00 0.00 H new ATOM 411 N GLY A 40 7.521 10.950 -11.319 1.00 0.00 N ATOM 412 CA GLY A 40 6.476 10.352 -12.206 1.00 0.00 C ATOM 413 C GLY A 40 6.708 8.845 -12.393 1.00 0.00 C ATOM 414 O GLY A 40 5.921 8.173 -13.028 1.00 0.00 O ATOM 0 H GLY A 40 7.187 11.286 -10.416 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.489 10.521 -11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.490 10.849 -13.176 1.00 0.00 H new ATOM 418 N TYR A 41 7.783 8.351 -11.831 1.00 0.00 N ATOM 419 CA TYR A 41 8.089 6.893 -11.962 1.00 0.00 C ATOM 420 C TYR A 41 8.545 6.313 -10.630 1.00 0.00 C ATOM 421 O TYR A 41 8.956 7.042 -9.749 1.00 0.00 O ATOM 422 CB TYR A 41 9.227 6.721 -12.980 1.00 0.00 C ATOM 423 CG TYR A 41 8.929 7.557 -14.223 1.00 0.00 C ATOM 424 CD1 TYR A 41 7.742 7.397 -14.901 1.00 0.00 C ATOM 425 CD2 TYR A 41 9.848 8.476 -14.690 1.00 0.00 C ATOM 426 CE1 TYR A 41 7.474 8.142 -16.029 1.00 0.00 C ATOM 427 CE2 TYR A 41 9.580 9.221 -15.818 1.00 0.00 C ATOM 428 CZ TYR A 41 8.391 9.060 -16.497 1.00 0.00 C ATOM 429 OH TYR A 41 8.121 9.805 -17.623 1.00 0.00 O ATOM 0 H TYR A 41 8.459 8.891 -11.290 1.00 0.00 H new ATOM 0 HA TYR A 41 7.187 6.373 -12.286 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.174 7.031 -12.539 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.331 5.670 -13.252 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.015 6.682 -14.546 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.783 8.612 -14.167 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.538 8.006 -16.551 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.307 9.936 -16.173 1.00 0.00 H new ATOM 0 HH TYR A 41 8.876 10.402 -17.809 1.00 0.00 H new ATOM 439 N ILE A 42 8.462 5.002 -10.511 1.00 0.00 N ATOM 440 CA ILE A 42 8.888 4.346 -9.237 1.00 0.00 C ATOM 441 C ILE A 42 10.044 3.386 -9.466 1.00 0.00 C ATOM 442 O ILE A 42 10.163 2.791 -10.517 1.00 0.00 O ATOM 443 CB ILE A 42 7.716 3.554 -8.676 1.00 0.00 C ATOM 444 CG1 ILE A 42 7.083 2.730 -9.772 1.00 0.00 C ATOM 445 CG2 ILE A 42 6.670 4.532 -8.142 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.760 2.159 -9.260 1.00 0.00 C ATOM 0 H ILE A 42 8.121 4.370 -11.235 1.00 0.00 H new ATOM 0 HA ILE A 42 9.210 5.124 -8.545 1.00 0.00 H new ATOM 0 HB ILE A 42 8.072 2.898 -7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.911 3.345 -10.655 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.752 1.923 -10.071 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.825 3.975 -7.737 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.112 5.144 -7.355 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.326 5.175 -8.952 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.294 1.562 -10.044 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.947 1.531 -8.389 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.094 2.976 -8.982 1.00 0.00 H new ATOM 458 N ASN A 43 10.876 3.248 -8.472 1.00 0.00 N ATOM 459 CA ASN A 43 12.028 2.329 -8.613 1.00 0.00 C ATOM 460 C ASN A 43 11.639 0.931 -8.152 1.00 0.00 C ATOM 461 O ASN A 43 10.832 0.779 -7.256 1.00 0.00 O ATOM 462 CB ASN A 43 13.175 2.843 -7.725 1.00 0.00 C ATOM 463 CG ASN A 43 14.429 1.998 -7.973 1.00 0.00 C ATOM 464 OD1 ASN A 43 14.483 1.237 -9.033 1.00 0.00 O flip ATOM 465 ND2 ASN A 43 15.370 2.024 -7.203 1.00 0.00 N flip ATOM 0 H ASN A 43 10.805 3.730 -7.576 1.00 0.00 H new ATOM 0 HA ASN A 43 12.337 2.290 -9.658 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.379 3.891 -7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.889 2.789 -6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.334 2.616 -6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 43 16.195 1.454 -7.387 1.00 0.00 H new ATOM 472 N CYS A 44 12.206 -0.069 -8.780 1.00 0.00 N ATOM 473 CA CYS A 44 11.873 -1.464 -8.383 1.00 0.00 C ATOM 474 C CYS A 44 11.843 -1.585 -6.865 1.00 0.00 C ATOM 475 O CYS A 44 11.283 -2.516 -6.321 1.00 0.00 O ATOM 476 CB CYS A 44 12.963 -2.400 -8.933 1.00 0.00 C ATOM 477 SG CYS A 44 13.352 -3.882 -7.969 1.00 0.00 S ATOM 0 H CYS A 44 12.878 0.022 -9.542 1.00 0.00 H new ATOM 0 HA CYS A 44 10.895 -1.732 -8.782 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.662 -2.717 -9.932 1.00 0.00 H new ATOM 0 HB3 CYS A 44 13.880 -1.821 -9.045 1.00 0.00 H new ATOM 0 HG CYS A 44 12.457 -4.043 -7.040 1.00 0.00 H new ATOM 483 N ARG A 45 12.465 -0.644 -6.206 1.00 0.00 N ATOM 484 CA ARG A 45 12.479 -0.687 -4.732 1.00 0.00 C ATOM 485 C ARG A 45 11.098 -0.354 -4.214 1.00 0.00 C ATOM 486 O ARG A 45 10.458 -1.174 -3.586 1.00 0.00 O ATOM 487 CB ARG A 45 13.482 0.352 -4.220 1.00 0.00 C ATOM 488 CG ARG A 45 14.812 -0.346 -3.934 1.00 0.00 C ATOM 489 CD ARG A 45 15.452 -0.769 -5.260 1.00 0.00 C ATOM 490 NE ARG A 45 14.825 -2.040 -5.718 1.00 0.00 N ATOM 491 CZ ARG A 45 15.253 -3.176 -5.238 1.00 0.00 C ATOM 492 NH1 ARG A 45 16.509 -3.283 -4.902 1.00 0.00 N ATOM 493 NH2 ARG A 45 14.410 -4.164 -5.111 1.00 0.00 N ATOM 0 H ARG A 45 12.958 0.143 -6.628 1.00 0.00 H new ATOM 0 HA ARG A 45 12.766 -1.680 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.621 1.140 -4.961 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.104 0.828 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 45 15.479 0.324 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.650 -1.218 -3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.314 0.010 -6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.526 -0.903 -5.133 1.00 0.00 H new ATOM 0 HE ARG A 45 14.068 -2.023 -6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.137 -2.487 -5.016 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.863 -4.162 -4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.435 -4.041 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.726 -5.059 -4.738 1.00 0.00 H new ATOM 507 N ASP A 46 10.651 0.851 -4.481 1.00 0.00 N ATOM 508 CA ASP A 46 9.307 1.227 -4.004 1.00 0.00 C ATOM 509 C ASP A 46 8.346 0.125 -4.386 1.00 0.00 C ATOM 510 O ASP A 46 7.484 -0.256 -3.627 1.00 0.00 O ATOM 511 CB ASP A 46 8.881 2.531 -4.699 1.00 0.00 C ATOM 512 CG ASP A 46 9.746 3.687 -4.191 1.00 0.00 C ATOM 513 OD1 ASP A 46 9.615 3.984 -3.015 1.00 0.00 O ATOM 514 OD2 ASP A 46 10.487 4.209 -5.009 1.00 0.00 O ATOM 0 H ASP A 46 11.157 1.569 -4.999 1.00 0.00 H new ATOM 0 HA ASP A 46 9.309 1.370 -2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.987 2.431 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.829 2.735 -4.499 1.00 0.00 H new ATOM 519 N LEU A 47 8.517 -0.365 -5.582 1.00 0.00 N ATOM 520 CA LEU A 47 7.644 -1.447 -6.060 1.00 0.00 C ATOM 521 C LEU A 47 7.462 -2.501 -4.982 1.00 0.00 C ATOM 522 O LEU A 47 6.362 -2.787 -4.580 1.00 0.00 O ATOM 523 CB LEU A 47 8.338 -2.096 -7.257 1.00 0.00 C ATOM 524 CG LEU A 47 7.581 -1.766 -8.532 1.00 0.00 C ATOM 525 CD1 LEU A 47 6.136 -2.203 -8.388 1.00 0.00 C ATOM 526 CD2 LEU A 47 7.637 -0.269 -8.790 1.00 0.00 C ATOM 0 H LEU A 47 9.229 -0.055 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 47 6.667 -1.044 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.365 -1.739 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.385 -3.176 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 47 8.039 -2.291 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.592 -1.967 -9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.097 -3.278 -8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.679 -1.679 -7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.093 -0.037 -9.705 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.183 0.262 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.676 0.043 -8.896 1.00 0.00 H new ATOM 538 N GLY A 48 8.562 -3.074 -4.548 1.00 0.00 N ATOM 539 CA GLY A 48 8.483 -4.118 -3.491 1.00 0.00 C ATOM 540 C GLY A 48 7.442 -3.729 -2.448 1.00 0.00 C ATOM 541 O GLY A 48 6.656 -4.548 -2.005 1.00 0.00 O ATOM 0 H GLY A 48 9.502 -2.861 -4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.222 -5.078 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.457 -4.241 -3.016 1.00 0.00 H new ATOM 545 N ASN A 49 7.452 -2.479 -2.081 1.00 0.00 N ATOM 546 CA ASN A 49 6.476 -2.015 -1.076 1.00 0.00 C ATOM 547 C ASN A 49 5.105 -1.836 -1.718 1.00 0.00 C ATOM 548 O ASN A 49 4.086 -2.014 -1.074 1.00 0.00 O ATOM 549 CB ASN A 49 6.951 -0.664 -0.513 1.00 0.00 C ATOM 550 CG ASN A 49 8.077 -0.904 0.494 1.00 0.00 C ATOM 551 OD1 ASN A 49 9.222 -1.087 0.129 1.00 0.00 O ATOM 552 ND2 ASN A 49 7.796 -0.907 1.767 1.00 0.00 N ATOM 0 H ASN A 49 8.092 -1.768 -2.434 1.00 0.00 H new ATOM 0 HA ASN A 49 6.399 -2.753 -0.278 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.301 -0.023 -1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.122 -0.146 -0.032 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.535 -1.062 2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.837 -0.754 2.078 1.00 0.00 H new ATOM 559 N CYS A 50 5.097 -1.496 -2.988 1.00 0.00 N ATOM 560 CA CYS A 50 3.799 -1.307 -3.670 1.00 0.00 C ATOM 561 C CYS A 50 3.231 -2.657 -4.060 1.00 0.00 C ATOM 562 O CYS A 50 2.033 -2.864 -4.050 1.00 0.00 O ATOM 563 CB CYS A 50 4.026 -0.471 -4.937 1.00 0.00 C ATOM 564 SG CYS A 50 4.847 1.132 -4.738 1.00 0.00 S ATOM 0 H CYS A 50 5.925 -1.346 -3.564 1.00 0.00 H new ATOM 0 HA CYS A 50 3.101 -0.799 -3.004 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.615 -1.067 -5.634 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.057 -0.298 -5.405 1.00 0.00 H new ATOM 0 HG CYS A 50 4.253 1.811 -3.802 1.00 0.00 H new ATOM 570 N MET A 51 4.111 -3.557 -4.395 1.00 0.00 N ATOM 571 CA MET A 51 3.665 -4.905 -4.789 1.00 0.00 C ATOM 572 C MET A 51 3.089 -5.618 -3.583 1.00 0.00 C ATOM 573 O MET A 51 2.205 -6.433 -3.704 1.00 0.00 O ATOM 574 CB MET A 51 4.885 -5.694 -5.300 1.00 0.00 C ATOM 575 CG MET A 51 5.213 -5.260 -6.733 1.00 0.00 C ATOM 576 SD MET A 51 4.975 -6.479 -8.050 1.00 0.00 S ATOM 577 CE MET A 51 5.755 -5.526 -9.379 1.00 0.00 C ATOM 0 H MET A 51 5.120 -3.410 -4.411 1.00 0.00 H new ATOM 0 HA MET A 51 2.905 -4.833 -5.567 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.743 -5.518 -4.651 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.677 -6.764 -5.272 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.604 -4.387 -6.968 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.254 -4.938 -6.757 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.817 -6.139 -10.278 1.00 0.00 H new ATOM 0 HE2 MET A 51 5.160 -4.636 -9.586 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.758 -5.229 -9.073 1.00 0.00 H new ATOM 587 N ARG A 52 3.611 -5.296 -2.429 1.00 0.00 N ATOM 588 CA ARG A 52 3.106 -5.943 -1.200 1.00 0.00 C ATOM 589 C ARG A 52 1.781 -5.317 -0.783 1.00 0.00 C ATOM 590 O ARG A 52 0.942 -5.967 -0.192 1.00 0.00 O ATOM 591 CB ARG A 52 4.138 -5.732 -0.078 1.00 0.00 C ATOM 592 CG ARG A 52 4.874 -7.049 0.183 1.00 0.00 C ATOM 593 CD ARG A 52 5.782 -6.883 1.403 1.00 0.00 C ATOM 594 NE ARG A 52 4.964 -6.402 2.552 1.00 0.00 N ATOM 595 CZ ARG A 52 5.555 -5.828 3.565 1.00 0.00 C ATOM 596 NH1 ARG A 52 6.740 -6.242 3.922 1.00 0.00 N ATOM 597 NH2 ARG A 52 4.939 -4.860 4.187 1.00 0.00 N ATOM 0 H ARG A 52 4.360 -4.617 -2.292 1.00 0.00 H new ATOM 0 HA ARG A 52 2.952 -7.006 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.848 -4.955 -0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.641 -5.393 0.831 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.158 -7.852 0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.464 -7.329 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.258 -7.832 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.580 -6.173 1.185 1.00 0.00 H new ATOM 0 HE ARG A 52 3.951 -6.520 2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.190 -7.002 3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.217 -5.805 4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.012 -4.564 3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.384 -4.399 4.981 1.00 0.00 H new ATOM 611 N THR A 53 1.619 -4.058 -1.098 1.00 0.00 N ATOM 612 CA THR A 53 0.357 -3.373 -0.730 1.00 0.00 C ATOM 613 C THR A 53 -0.711 -3.591 -1.803 1.00 0.00 C ATOM 614 O THR A 53 -1.864 -3.262 -1.603 1.00 0.00 O ATOM 615 CB THR A 53 0.650 -1.864 -0.609 1.00 0.00 C ATOM 616 OG1 THR A 53 0.789 -1.623 0.776 1.00 0.00 O ATOM 617 CG2 THR A 53 -0.569 -1.015 -1.021 1.00 0.00 C ATOM 0 H THR A 53 2.303 -3.483 -1.590 1.00 0.00 H new ATOM 0 HA THR A 53 -0.014 -3.777 0.212 1.00 0.00 H new ATOM 0 HB THR A 53 1.511 -1.613 -1.228 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.980 -0.673 0.925 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.325 0.043 -0.923 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.831 -1.233 -2.056 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.414 -1.254 -0.375 1.00 0.00 H new ATOM 625 N MET A 54 -0.302 -4.151 -2.923 1.00 0.00 N ATOM 626 CA MET A 54 -1.269 -4.405 -4.025 1.00 0.00 C ATOM 627 C MET A 54 -1.239 -5.864 -4.470 1.00 0.00 C ATOM 628 O MET A 54 -2.222 -6.386 -4.957 1.00 0.00 O ATOM 629 CB MET A 54 -0.862 -3.525 -5.216 1.00 0.00 C ATOM 630 CG MET A 54 -2.098 -3.185 -6.043 1.00 0.00 C ATOM 631 SD MET A 54 -2.720 -4.457 -7.172 1.00 0.00 S ATOM 632 CE MET A 54 -4.413 -3.832 -7.310 1.00 0.00 C ATOM 0 H MET A 54 0.658 -4.439 -3.113 1.00 0.00 H new ATOM 0 HA MET A 54 -2.275 -4.176 -3.673 1.00 0.00 H new ATOM 0 HB2 MET A 54 -0.386 -2.611 -4.861 1.00 0.00 H new ATOM 0 HB3 MET A 54 -0.130 -4.046 -5.833 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.902 -2.923 -5.355 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.876 -2.293 -6.629 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.987 -4.479 -7.974 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.878 -3.820 -6.324 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.395 -2.820 -7.716 1.00 0.00 H new ATOM 642 N GLY A 55 -0.114 -6.499 -4.297 1.00 0.00 N ATOM 643 CA GLY A 55 -0.007 -7.929 -4.708 1.00 0.00 C ATOM 644 C GLY A 55 -0.692 -8.833 -3.682 1.00 0.00 C ATOM 645 O GLY A 55 -0.625 -10.043 -3.774 1.00 0.00 O ATOM 0 H GLY A 55 0.731 -6.095 -3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.465 -8.068 -5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.042 -8.208 -4.805 1.00 0.00 H new ATOM 649 N TYR A 56 -1.333 -8.224 -2.727 1.00 0.00 N ATOM 650 CA TYR A 56 -2.027 -9.022 -1.688 1.00 0.00 C ATOM 651 C TYR A 56 -1.097 -10.069 -1.072 1.00 0.00 C ATOM 652 O TYR A 56 -1.258 -11.254 -1.288 1.00 0.00 O ATOM 653 CB TYR A 56 -3.219 -9.734 -2.350 1.00 0.00 C ATOM 654 CG TYR A 56 -4.227 -10.129 -1.272 1.00 0.00 C ATOM 655 CD1 TYR A 56 -4.837 -9.165 -0.495 1.00 0.00 C ATOM 656 CD2 TYR A 56 -4.542 -11.455 -1.060 1.00 0.00 C ATOM 657 CE1 TYR A 56 -5.748 -9.522 0.479 1.00 0.00 C ATOM 658 CE2 TYR A 56 -5.453 -11.812 -0.088 1.00 0.00 C ATOM 659 CZ TYR A 56 -6.062 -10.849 0.689 1.00 0.00 C ATOM 660 OH TYR A 56 -6.973 -11.206 1.663 1.00 0.00 O ATOM 0 H TYR A 56 -1.405 -7.212 -2.623 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.356 -8.356 -0.891 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -3.689 -9.078 -3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.877 -10.619 -2.888 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.600 -8.123 -0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.071 -12.220 -1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.218 -8.758 1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.691 -12.854 0.066 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.076 -12.181 1.673 1.00 0.00 H new ATOM 670 N MET A 57 -0.141 -9.607 -0.314 1.00 0.00 N ATOM 671 CA MET A 57 0.810 -10.553 0.328 1.00 0.00 C ATOM 672 C MET A 57 1.383 -11.546 -0.680 1.00 0.00 C ATOM 673 O MET A 57 1.150 -12.736 -0.595 1.00 0.00 O ATOM 674 CB MET A 57 0.046 -11.339 1.408 1.00 0.00 C ATOM 675 CG MET A 57 -0.173 -10.441 2.628 1.00 0.00 C ATOM 676 SD MET A 57 -1.400 -9.117 2.479 1.00 0.00 S ATOM 677 CE MET A 57 -2.270 -9.426 4.039 1.00 0.00 C ATOM 0 H MET A 57 0.021 -8.620 -0.113 1.00 0.00 H new ATOM 0 HA MET A 57 1.636 -9.982 0.752 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.912 -11.680 1.016 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.608 -12.228 1.693 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.462 -11.076 3.466 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.783 -9.987 2.888 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.082 -8.708 4.151 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.678 -10.437 4.034 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.574 -9.320 4.871 1.00 0.00 H new ATOM 687 N PRO A 58 2.129 -11.025 -1.622 1.00 0.00 N ATOM 688 CA PRO A 58 2.750 -11.843 -2.659 1.00 0.00 C ATOM 689 C PRO A 58 3.918 -12.645 -2.073 1.00 0.00 C ATOM 690 O PRO A 58 3.714 -13.684 -1.478 1.00 0.00 O ATOM 691 CB PRO A 58 3.270 -10.818 -3.693 1.00 0.00 C ATOM 692 CG PRO A 58 3.253 -9.433 -2.987 1.00 0.00 C ATOM 693 CD PRO A 58 2.388 -9.588 -1.718 1.00 0.00 C ATOM 0 HA PRO A 58 2.058 -12.564 -3.095 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.278 -11.074 -4.021 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.639 -10.809 -4.581 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.264 -9.118 -2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.840 -8.669 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.910 -9.219 -0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.460 -9.022 -1.799 1.00 0.00 H new ATOM 701 N THR A 59 5.123 -12.147 -2.255 1.00 0.00 N ATOM 702 CA THR A 59 6.292 -12.853 -1.723 1.00 0.00 C ATOM 703 C THR A 59 7.305 -11.866 -1.157 1.00 0.00 C ATOM 704 O THR A 59 6.992 -10.717 -0.916 1.00 0.00 O ATOM 705 CB THR A 59 6.947 -13.590 -2.877 1.00 0.00 C ATOM 706 OG1 THR A 59 5.887 -14.176 -3.603 1.00 0.00 O ATOM 707 CG2 THR A 59 7.764 -14.765 -2.369 1.00 0.00 C ATOM 0 H THR A 59 5.327 -11.280 -2.752 1.00 0.00 H new ATOM 0 HA THR A 59 5.977 -13.532 -0.931 1.00 0.00 H new ATOM 0 HB THR A 59 7.576 -12.904 -3.444 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.829 -13.761 -4.489 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.225 -15.279 -3.212 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.541 -14.404 -1.696 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.113 -15.456 -1.834 1.00 0.00 H new ATOM 715 N GLU A 60 8.505 -12.346 -0.960 1.00 0.00 N ATOM 716 CA GLU A 60 9.581 -11.483 -0.414 1.00 0.00 C ATOM 717 C GLU A 60 10.748 -11.451 -1.388 1.00 0.00 C ATOM 718 O GLU A 60 11.808 -10.939 -1.090 1.00 0.00 O ATOM 719 CB GLU A 60 10.059 -12.088 0.921 1.00 0.00 C ATOM 720 CG GLU A 60 10.448 -10.964 1.887 1.00 0.00 C ATOM 721 CD GLU A 60 10.393 -11.495 3.321 1.00 0.00 C ATOM 722 OE1 GLU A 60 9.469 -12.248 3.585 1.00 0.00 O ATOM 723 OE2 GLU A 60 11.277 -11.117 4.072 1.00 0.00 O ATOM 0 H GLU A 60 8.783 -13.307 -1.157 1.00 0.00 H new ATOM 0 HA GLU A 60 9.207 -10.471 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.269 -12.699 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.912 -12.745 0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.450 -10.602 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.770 -10.118 1.773 1.00 0.00 H new ATOM 730 N MET A 61 10.515 -12.009 -2.545 1.00 0.00 N ATOM 731 CA MET A 61 11.567 -12.046 -3.582 1.00 0.00 C ATOM 732 C MET A 61 10.920 -12.165 -4.959 1.00 0.00 C ATOM 733 O MET A 61 11.572 -12.040 -5.973 1.00 0.00 O ATOM 734 CB MET A 61 12.484 -13.277 -3.292 1.00 0.00 C ATOM 735 CG MET A 61 12.749 -14.092 -4.573 1.00 0.00 C ATOM 736 SD MET A 61 13.724 -15.608 -4.397 1.00 0.00 S ATOM 737 CE MET A 61 15.222 -15.012 -5.220 1.00 0.00 C ATOM 0 H MET A 61 9.631 -12.443 -2.812 1.00 0.00 H new ATOM 0 HA MET A 61 12.163 -11.133 -3.566 1.00 0.00 H new ATOM 0 HB2 MET A 61 13.431 -12.937 -2.872 1.00 0.00 H new ATOM 0 HB3 MET A 61 12.014 -13.915 -2.543 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.787 -14.357 -5.011 1.00 0.00 H new ATOM 0 HG3 MET A 61 13.256 -13.444 -5.288 1.00 0.00 H new ATOM 0 HE1 MET A 61 15.973 -15.802 -5.226 1.00 0.00 H new ATOM 0 HE2 MET A 61 14.986 -14.729 -6.246 1.00 0.00 H new ATOM 0 HE3 MET A 61 15.611 -14.146 -4.685 1.00 0.00 H new ATOM 747 N GLU A 62 9.637 -12.403 -4.965 1.00 0.00 N ATOM 748 CA GLU A 62 8.937 -12.530 -6.260 1.00 0.00 C ATOM 749 C GLU A 62 8.773 -11.170 -6.915 1.00 0.00 C ATOM 750 O GLU A 62 8.982 -11.023 -8.104 1.00 0.00 O ATOM 751 CB GLU A 62 7.548 -13.140 -6.015 1.00 0.00 C ATOM 752 CG GLU A 62 6.936 -13.545 -7.355 1.00 0.00 C ATOM 753 CD GLU A 62 5.799 -14.539 -7.110 1.00 0.00 C ATOM 754 OE1 GLU A 62 5.263 -14.488 -6.015 1.00 0.00 O ATOM 755 OE2 GLU A 62 5.530 -15.291 -8.031 1.00 0.00 O ATOM 0 H GLU A 62 9.054 -12.513 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 62 9.524 -13.168 -6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.629 -14.008 -5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.905 -12.419 -5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.560 -12.665 -7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.696 -13.994 -7.994 1.00 0.00 H new ATOM 762 N LEU A 63 8.405 -10.192 -6.134 1.00 0.00 N ATOM 763 CA LEU A 63 8.232 -8.844 -6.721 1.00 0.00 C ATOM 764 C LEU A 63 9.492 -8.464 -7.476 1.00 0.00 C ATOM 765 O LEU A 63 9.468 -7.633 -8.362 1.00 0.00 O ATOM 766 CB LEU A 63 7.978 -7.804 -5.594 1.00 0.00 C ATOM 767 CG LEU A 63 8.239 -8.435 -4.218 1.00 0.00 C ATOM 768 CD1 LEU A 63 9.735 -8.696 -4.058 1.00 0.00 C ATOM 769 CD2 LEU A 63 7.791 -7.467 -3.125 1.00 0.00 C ATOM 0 H LEU A 63 8.221 -10.269 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 63 7.379 -8.854 -7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.627 -6.940 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.951 -7.443 -5.647 1.00 0.00 H new ATOM 0 HG LEU A 63 7.686 -9.371 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.924 -9.144 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.071 -9.376 -4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.279 -7.755 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.975 -7.912 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.351 -6.536 -3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.726 -7.261 -3.235 1.00 0.00 H new ATOM 781 N ILE A 64 10.577 -9.091 -7.105 1.00 0.00 N ATOM 782 CA ILE A 64 11.848 -8.808 -7.764 1.00 0.00 C ATOM 783 C ILE A 64 11.860 -9.410 -9.168 1.00 0.00 C ATOM 784 O ILE A 64 12.218 -8.755 -10.121 1.00 0.00 O ATOM 785 CB ILE A 64 12.951 -9.439 -6.890 1.00 0.00 C ATOM 786 CG1 ILE A 64 13.888 -8.364 -6.420 1.00 0.00 C ATOM 787 CG2 ILE A 64 13.758 -10.483 -7.700 1.00 0.00 C ATOM 788 CD1 ILE A 64 13.108 -7.364 -5.568 1.00 0.00 C ATOM 0 H ILE A 64 10.619 -9.791 -6.364 1.00 0.00 H new ATOM 0 HA ILE A 64 12.007 -7.735 -7.871 1.00 0.00 H new ATOM 0 HB ILE A 64 12.480 -9.932 -6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 64 14.701 -8.800 -5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.341 -7.859 -7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.531 -10.917 -7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 64 13.089 -11.271 -8.047 1.00 0.00 H new ATOM 0 HG23 ILE A 64 14.223 -9.998 -8.558 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.780 -6.579 -5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 64 12.310 -6.922 -6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 64 12.676 -7.877 -4.709 1.00 0.00 H new ATOM 800 N GLU A 65 11.464 -10.653 -9.269 1.00 0.00 N ATOM 801 CA GLU A 65 11.452 -11.293 -10.602 1.00 0.00 C ATOM 802 C GLU A 65 10.689 -10.421 -11.573 1.00 0.00 C ATOM 803 O GLU A 65 11.055 -10.291 -12.726 1.00 0.00 O ATOM 804 CB GLU A 65 10.748 -12.655 -10.490 1.00 0.00 C ATOM 805 CG GLU A 65 11.583 -13.579 -9.604 1.00 0.00 C ATOM 806 CD GLU A 65 12.742 -14.155 -10.421 1.00 0.00 C ATOM 807 OE1 GLU A 65 12.442 -14.941 -11.305 1.00 0.00 O ATOM 808 OE2 GLU A 65 13.861 -13.777 -10.115 1.00 0.00 O ATOM 0 H GLU A 65 11.154 -11.239 -8.494 1.00 0.00 H new ATOM 0 HA GLU A 65 12.474 -11.425 -10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.751 -12.529 -10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.622 -13.095 -11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.967 -13.028 -8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.962 -14.386 -9.214 1.00 0.00 H new ATOM 815 N LEU A 66 9.636 -9.831 -11.085 1.00 0.00 N ATOM 816 CA LEU A 66 8.828 -8.957 -11.953 1.00 0.00 C ATOM 817 C LEU A 66 9.608 -7.700 -12.291 1.00 0.00 C ATOM 818 O LEU A 66 9.901 -7.430 -13.447 1.00 0.00 O ATOM 819 CB LEU A 66 7.562 -8.564 -11.184 1.00 0.00 C ATOM 820 CG LEU A 66 6.496 -9.640 -11.392 1.00 0.00 C ATOM 821 CD1 LEU A 66 7.121 -11.018 -11.156 1.00 0.00 C ATOM 822 CD2 LEU A 66 5.363 -9.423 -10.390 1.00 0.00 C ATOM 0 H LEU A 66 9.306 -9.920 -10.124 1.00 0.00 H new ATOM 0 HA LEU A 66 8.577 -9.479 -12.876 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.785 -8.456 -10.123 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.195 -7.599 -11.532 1.00 0.00 H new ATOM 0 HG LEU A 66 6.105 -9.582 -12.408 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.366 -11.790 -11.303 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.939 -11.172 -11.860 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.504 -11.074 -10.137 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.599 -10.187 -10.533 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.757 -9.489 -9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.924 -8.438 -10.545 1.00 0.00 H new ATOM 834 N SER A 67 9.941 -6.949 -11.276 1.00 0.00 N ATOM 835 CA SER A 67 10.699 -5.713 -11.520 1.00 0.00 C ATOM 836 C SER A 67 12.040 -6.045 -12.154 1.00 0.00 C ATOM 837 O SER A 67 12.683 -5.198 -12.739 1.00 0.00 O ATOM 838 CB SER A 67 10.914 -4.996 -10.174 1.00 0.00 C ATOM 839 OG SER A 67 12.213 -5.393 -9.760 1.00 0.00 O ATOM 0 H SER A 67 9.718 -7.145 -10.300 1.00 0.00 H new ATOM 0 HA SER A 67 10.146 -5.065 -12.200 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.847 -3.914 -10.286 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.159 -5.288 -9.444 1.00 0.00 H new ATOM 0 HG SER A 67 12.531 -4.790 -9.056 1.00 0.00 H new ATOM 845 N GLN A 68 12.441 -7.279 -12.022 1.00 0.00 N ATOM 846 CA GLN A 68 13.730 -7.689 -12.612 1.00 0.00 C ATOM 847 C GLN A 68 13.550 -7.870 -14.096 1.00 0.00 C ATOM 848 O GLN A 68 14.428 -7.572 -14.875 1.00 0.00 O ATOM 849 CB GLN A 68 14.161 -9.027 -11.996 1.00 0.00 C ATOM 850 CG GLN A 68 15.375 -9.558 -12.762 1.00 0.00 C ATOM 851 CD GLN A 68 15.988 -10.733 -11.995 1.00 0.00 C ATOM 852 OE1 GLN A 68 15.491 -11.063 -10.835 1.00 0.00 O flip ATOM 853 NE2 GLN A 68 16.927 -11.360 -12.446 1.00 0.00 N flip ATOM 0 H GLN A 68 11.929 -8.013 -11.532 1.00 0.00 H new ATOM 0 HA GLN A 68 14.487 -6.930 -12.416 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.408 -8.895 -10.943 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.342 -9.745 -12.043 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.077 -9.877 -13.761 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.114 -8.767 -12.888 1.00 0.00 H new ATOM 0 HE21 GLN A 68 17.321 -11.107 -13.352 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.321 -12.139 -11.918 1.00 0.00 H new ATOM 862 N GLN A 69 12.400 -8.363 -14.467 1.00 0.00 N ATOM 863 CA GLN A 69 12.136 -8.569 -15.898 1.00 0.00 C ATOM 864 C GLN A 69 12.219 -7.237 -16.611 1.00 0.00 C ATOM 865 O GLN A 69 12.724 -7.145 -17.713 1.00 0.00 O ATOM 866 CB GLN A 69 10.718 -9.138 -16.054 1.00 0.00 C ATOM 867 CG GLN A 69 10.554 -9.700 -17.466 1.00 0.00 C ATOM 868 CD GLN A 69 9.170 -10.339 -17.594 1.00 0.00 C ATOM 869 OE1 GLN A 69 8.170 -9.659 -17.718 1.00 0.00 O ATOM 870 NE2 GLN A 69 9.068 -11.639 -17.568 1.00 0.00 N ATOM 0 H GLN A 69 11.643 -8.627 -13.837 1.00 0.00 H new ATOM 0 HA GLN A 69 12.866 -9.258 -16.323 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.544 -9.921 -15.316 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.978 -8.358 -15.872 1.00 0.00 H new ATOM 0 HG2 GLN A 69 10.671 -8.905 -18.203 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.329 -10.439 -17.669 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.904 -12.214 -17.464 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.152 -12.080 -17.652 1.00 0.00 H new ATOM 879 N ILE A 70 11.720 -6.214 -15.962 1.00 0.00 N ATOM 880 CA ILE A 70 11.761 -4.872 -16.583 1.00 0.00 C ATOM 881 C ILE A 70 13.166 -4.571 -17.088 1.00 0.00 C ATOM 882 O ILE A 70 13.348 -3.778 -17.991 1.00 0.00 O ATOM 883 CB ILE A 70 11.387 -3.836 -15.520 1.00 0.00 C ATOM 884 CG1 ILE A 70 9.920 -3.979 -15.152 1.00 0.00 C ATOM 885 CG2 ILE A 70 11.609 -2.427 -16.099 1.00 0.00 C ATOM 886 CD1 ILE A 70 9.590 -2.993 -14.031 1.00 0.00 C ATOM 0 H ILE A 70 11.291 -6.257 -15.037 1.00 0.00 H new ATOM 0 HA ILE A 70 11.065 -4.837 -17.421 1.00 0.00 H new ATOM 0 HB ILE A 70 12.004 -3.990 -14.635 1.00 0.00 H new ATOM 0 HG12 ILE A 70 9.293 -3.784 -16.022 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.710 -4.999 -14.830 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.346 -1.680 -15.350 1.00 0.00 H new ATOM 0 HG22 ILE A 70 12.656 -2.309 -16.377 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.982 -2.293 -16.981 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.539 -3.089 -13.760 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.210 -3.210 -13.161 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.786 -1.976 -14.371 1.00 0.00 H new ATOM 898 N ASN A 71 14.139 -5.214 -16.489 1.00 0.00 N ATOM 899 CA ASN A 71 15.542 -4.982 -16.915 1.00 0.00 C ATOM 900 C ASN A 71 15.642 -4.930 -18.434 1.00 0.00 C ATOM 901 O ASN A 71 16.586 -4.393 -18.979 1.00 0.00 O ATOM 902 CB ASN A 71 16.405 -6.146 -16.399 1.00 0.00 C ATOM 903 CG ASN A 71 17.765 -6.116 -17.100 1.00 0.00 C ATOM 904 OD1 ASN A 71 17.829 -6.400 -18.371 1.00 0.00 O flip ATOM 905 ND2 ASN A 71 18.782 -5.834 -16.496 1.00 0.00 N flip ATOM 0 H ASN A 71 14.017 -5.884 -15.729 1.00 0.00 H new ATOM 0 HA ASN A 71 15.887 -4.031 -16.509 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.537 -6.066 -15.320 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.906 -7.096 -16.589 1.00 0.00 H new ATOM 0 HD21 ASN A 71 18.739 -5.611 -15.502 1.00 0.00 H new ATOM 0 HD22 ASN A 71 19.678 -5.821 -16.984 1.00 0.00 H new ATOM 912 N MET A 72 14.664 -5.493 -19.090 1.00 0.00 N ATOM 913 CA MET A 72 14.682 -5.488 -20.570 1.00 0.00 C ATOM 914 C MET A 72 13.972 -4.251 -21.111 1.00 0.00 C ATOM 915 O MET A 72 14.345 -3.716 -22.136 1.00 0.00 O ATOM 916 CB MET A 72 13.944 -6.741 -21.068 1.00 0.00 C ATOM 917 CG MET A 72 13.644 -6.589 -22.561 1.00 0.00 C ATOM 918 SD MET A 72 14.964 -5.942 -23.616 1.00 0.00 S ATOM 919 CE MET A 72 14.082 -6.069 -25.191 1.00 0.00 C ATOM 0 H MET A 72 13.860 -5.953 -18.663 1.00 0.00 H new ATOM 0 HA MET A 72 15.715 -5.480 -20.917 1.00 0.00 H new ATOM 0 HB2 MET A 72 14.553 -7.629 -20.896 1.00 0.00 H new ATOM 0 HB3 MET A 72 13.017 -6.877 -20.511 1.00 0.00 H new ATOM 0 HG2 MET A 72 13.353 -7.566 -22.947 1.00 0.00 H new ATOM 0 HG3 MET A 72 12.779 -5.935 -22.665 1.00 0.00 H new ATOM 0 HE1 MET A 72 14.724 -5.715 -25.997 1.00 0.00 H new ATOM 0 HE2 MET A 72 13.811 -7.109 -25.373 1.00 0.00 H new ATOM 0 HE3 MET A 72 13.179 -5.460 -25.152 1.00 0.00 H new ATOM 929 N ASN A 73 12.957 -3.819 -20.410 1.00 0.00 N ATOM 930 CA ASN A 73 12.211 -2.620 -20.867 1.00 0.00 C ATOM 931 C ASN A 73 12.997 -1.349 -20.560 1.00 0.00 C ATOM 932 O ASN A 73 13.319 -0.586 -21.450 1.00 0.00 O ATOM 933 CB ASN A 73 10.870 -2.570 -20.119 1.00 0.00 C ATOM 934 CG ASN A 73 9.847 -3.447 -20.844 1.00 0.00 C ATOM 935 OD1 ASN A 73 10.173 -4.168 -21.767 1.00 0.00 O ATOM 936 ND2 ASN A 73 8.599 -3.417 -20.459 1.00 0.00 N ATOM 0 H ASN A 73 12.617 -4.244 -19.547 1.00 0.00 H new ATOM 0 HA ASN A 73 12.054 -2.683 -21.944 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.000 -2.917 -19.094 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.510 -1.543 -20.065 1.00 0.00 H new ATOM 0 HD21 ASN A 73 7.905 -3.996 -20.932 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.318 -2.814 -19.685 1.00 0.00 H new ATOM 943 N LEU A 74 13.286 -1.150 -19.295 1.00 0.00 N ATOM 944 CA LEU A 74 14.050 0.059 -18.883 1.00 0.00 C ATOM 945 C LEU A 74 15.229 -0.330 -17.999 1.00 0.00 C ATOM 946 O LEU A 74 16.339 -0.476 -18.474 1.00 0.00 O ATOM 947 CB LEU A 74 13.111 0.981 -18.088 1.00 0.00 C ATOM 948 CG LEU A 74 12.365 1.892 -19.064 1.00 0.00 C ATOM 949 CD1 LEU A 74 11.077 2.391 -18.406 1.00 0.00 C ATOM 950 CD2 LEU A 74 13.249 3.090 -19.413 1.00 0.00 C ATOM 0 H LEU A 74 13.023 -1.776 -18.534 1.00 0.00 H new ATOM 0 HA LEU A 74 14.429 0.565 -19.771 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.402 0.388 -17.509 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.682 1.578 -17.377 1.00 0.00 H new ATOM 0 HG LEU A 74 12.123 1.337 -19.971 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.543 3.041 -19.099 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.447 1.540 -18.148 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.323 2.948 -17.502 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.720 3.742 -20.109 1.00 0.00 H new ATOM 0 HD22 LEU A 74 13.486 3.644 -18.505 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.172 2.739 -19.875 1.00 0.00 H new ATOM 962 N GLY A 75 14.973 -0.491 -16.727 1.00 0.00 N ATOM 963 CA GLY A 75 16.085 -0.873 -15.807 1.00 0.00 C ATOM 964 C GLY A 75 15.809 -0.394 -14.377 1.00 0.00 C ATOM 965 O GLY A 75 16.352 0.602 -13.940 1.00 0.00 O ATOM 0 H GLY A 75 14.058 -0.377 -16.291 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.210 -1.956 -15.813 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.020 -0.442 -16.164 1.00 0.00 H new ATOM 969 N GLY A 76 14.965 -1.110 -13.676 1.00 0.00 N ATOM 970 CA GLY A 76 14.650 -0.704 -12.276 1.00 0.00 C ATOM 971 C GLY A 76 13.767 0.540 -12.267 1.00 0.00 C ATOM 972 O GLY A 76 13.822 1.339 -11.354 1.00 0.00 O ATOM 0 H GLY A 76 14.487 -1.947 -14.009 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.144 -1.520 -11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.573 -0.506 -11.732 1.00 0.00 H new ATOM 976 N HIS A 77 12.976 0.684 -13.285 1.00 0.00 N ATOM 977 CA HIS A 77 12.086 1.865 -13.349 1.00 0.00 C ATOM 978 C HIS A 77 10.824 1.540 -14.119 1.00 0.00 C ATOM 979 O HIS A 77 10.886 1.156 -15.272 1.00 0.00 O ATOM 980 CB HIS A 77 12.827 2.994 -14.070 1.00 0.00 C ATOM 981 CG HIS A 77 13.366 3.988 -13.038 1.00 0.00 C ATOM 982 ND1 HIS A 77 14.512 3.953 -12.545 1.00 0.00 N ATOM 983 CD2 HIS A 77 12.747 5.078 -12.455 1.00 0.00 C ATOM 984 CE1 HIS A 77 14.691 4.897 -11.717 1.00 0.00 C ATOM 985 NE2 HIS A 77 13.614 5.673 -11.590 1.00 0.00 N ATOM 0 H HIS A 77 12.907 0.038 -14.072 1.00 0.00 H new ATOM 0 HA HIS A 77 11.814 2.162 -12.336 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.647 2.586 -14.661 1.00 0.00 H new ATOM 0 HB3 HIS A 77 12.155 3.501 -14.763 1.00 0.00 H new ATOM 0 HD2 HIS A 77 11.737 5.405 -12.654 1.00 0.00 H new ATOM 0 HE1 HIS A 77 15.612 5.055 -11.176 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.476 6.494 -11.001 1.00 0.00 H new ATOM 993 N VAL A 78 9.700 1.698 -13.467 1.00 0.00 N ATOM 994 CA VAL A 78 8.414 1.405 -14.136 1.00 0.00 C ATOM 995 C VAL A 78 7.517 2.626 -14.183 1.00 0.00 C ATOM 996 O VAL A 78 7.452 3.405 -13.247 1.00 0.00 O ATOM 997 CB VAL A 78 7.697 0.278 -13.339 1.00 0.00 C ATOM 998 CG1 VAL A 78 8.565 -0.132 -12.174 1.00 0.00 C ATOM 999 CG2 VAL A 78 6.344 0.768 -12.791 1.00 0.00 C ATOM 0 H VAL A 78 9.626 2.017 -12.501 1.00 0.00 H new ATOM 0 HA VAL A 78 8.615 1.098 -15.162 1.00 0.00 H new ATOM 0 HB VAL A 78 7.525 -0.563 -14.010 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.068 -0.922 -11.611 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.523 -0.498 -12.545 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.732 0.727 -11.524 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.862 -0.038 -12.238 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.506 1.617 -12.127 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.704 1.072 -13.620 1.00 0.00 H new ATOM 1009 N ASP A 79 6.851 2.762 -15.284 1.00 0.00 N ATOM 1010 CA ASP A 79 5.937 3.898 -15.461 1.00 0.00 C ATOM 1011 C ASP A 79 4.543 3.410 -15.152 1.00 0.00 C ATOM 1012 O ASP A 79 4.316 2.218 -15.117 1.00 0.00 O ATOM 1013 CB ASP A 79 5.995 4.374 -16.924 1.00 0.00 C ATOM 1014 CG ASP A 79 7.438 4.734 -17.289 1.00 0.00 C ATOM 1015 OD1 ASP A 79 8.194 3.800 -17.492 1.00 0.00 O ATOM 1016 OD2 ASP A 79 7.700 5.924 -17.345 1.00 0.00 O ATOM 0 H ASP A 79 6.905 2.123 -16.077 1.00 0.00 H new ATOM 0 HA ASP A 79 6.214 4.724 -14.806 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.626 3.591 -17.587 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.347 5.240 -17.061 1.00 0.00 H new ATOM 1021 N PHE A 80 3.635 4.299 -14.902 1.00 0.00 N ATOM 1022 CA PHE A 80 2.274 3.822 -14.598 1.00 0.00 C ATOM 1023 C PHE A 80 1.827 2.785 -15.625 1.00 0.00 C ATOM 1024 O PHE A 80 0.817 2.129 -15.453 1.00 0.00 O ATOM 1025 CB PHE A 80 1.296 4.996 -14.626 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.032 4.511 -14.048 1.00 0.00 C ATOM 1027 CD1 PHE A 80 -0.084 3.987 -12.769 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.185 4.542 -14.805 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.263 3.502 -12.258 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.369 4.055 -14.292 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.407 3.535 -13.017 1.00 0.00 C ATOM 0 H PHE A 80 3.772 5.310 -14.895 1.00 0.00 H new ATOM 0 HA PHE A 80 2.284 3.367 -13.608 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.684 5.831 -14.043 1.00 0.00 H new ATOM 0 HB3 PHE A 80 1.160 5.356 -15.646 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.812 3.959 -12.166 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.160 4.950 -15.805 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.290 3.094 -11.258 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.267 4.081 -14.891 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.334 3.154 -12.615 1.00 0.00 H new ATOM 1041 N ASP A 81 2.595 2.650 -16.677 1.00 0.00 N ATOM 1042 CA ASP A 81 2.234 1.666 -17.720 1.00 0.00 C ATOM 1043 C ASP A 81 2.756 0.275 -17.345 1.00 0.00 C ATOM 1044 O ASP A 81 2.029 -0.696 -17.405 1.00 0.00 O ATOM 1045 CB ASP A 81 2.860 2.123 -19.061 1.00 0.00 C ATOM 1046 CG ASP A 81 4.187 1.390 -19.303 1.00 0.00 C ATOM 1047 OD1 ASP A 81 5.075 1.595 -18.492 1.00 0.00 O ATOM 1048 OD2 ASP A 81 4.234 0.670 -20.288 1.00 0.00 O ATOM 0 H ASP A 81 3.450 3.179 -16.851 1.00 0.00 H new ATOM 0 HA ASP A 81 1.149 1.608 -17.812 1.00 0.00 H new ATOM 0 HB2 ASP A 81 2.170 1.921 -19.880 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.029 3.200 -19.044 1.00 0.00 H new ATOM 1053 N ASP A 82 4.009 0.202 -16.961 1.00 0.00 N ATOM 1054 CA ASP A 82 4.572 -1.114 -16.582 1.00 0.00 C ATOM 1055 C ASP A 82 4.019 -1.517 -15.230 1.00 0.00 C ATOM 1056 O ASP A 82 4.004 -2.673 -14.870 1.00 0.00 O ATOM 1057 CB ASP A 82 6.099 -0.979 -16.484 1.00 0.00 C ATOM 1058 CG ASP A 82 6.667 -0.643 -17.865 1.00 0.00 C ATOM 1059 OD1 ASP A 82 6.550 -1.502 -18.723 1.00 0.00 O ATOM 1060 OD2 ASP A 82 7.185 0.456 -17.984 1.00 0.00 O ATOM 0 H ASP A 82 4.652 0.991 -16.897 1.00 0.00 H new ATOM 0 HA ASP A 82 4.308 -1.867 -17.324 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.361 -0.198 -15.770 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.535 -1.907 -16.115 1.00 0.00 H new ATOM 1065 N PHE A 83 3.573 -0.531 -14.513 1.00 0.00 N ATOM 1066 CA PHE A 83 3.000 -0.765 -13.167 1.00 0.00 C ATOM 1067 C PHE A 83 1.602 -1.350 -13.306 1.00 0.00 C ATOM 1068 O PHE A 83 1.227 -2.267 -12.598 1.00 0.00 O ATOM 1069 CB PHE A 83 2.923 0.611 -12.492 1.00 0.00 C ATOM 1070 CG PHE A 83 2.387 0.529 -11.066 1.00 0.00 C ATOM 1071 CD1 PHE A 83 3.196 0.089 -10.034 1.00 0.00 C ATOM 1072 CD2 PHE A 83 1.137 1.045 -10.764 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.767 0.177 -8.723 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.714 1.130 -9.455 1.00 0.00 C ATOM 1075 CZ PHE A 83 1.526 0.702 -8.438 1.00 0.00 C ATOM 0 H PHE A 83 3.582 0.445 -14.809 1.00 0.00 H new ATOM 0 HA PHE A 83 3.604 -1.461 -12.585 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.915 1.063 -12.479 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.282 1.267 -13.081 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.169 -0.326 -10.254 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.490 1.383 -11.560 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.405 -0.166 -7.922 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.261 1.536 -9.230 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.193 0.776 -7.413 1.00 0.00 H new ATOM 1085 N VAL A 84 0.859 -0.806 -14.233 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.516 -1.299 -14.456 1.00 0.00 C ATOM 1087 C VAL A 84 -0.473 -2.625 -15.204 1.00 0.00 C ATOM 1088 O VAL A 84 -1.323 -3.476 -15.025 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.263 -0.255 -15.323 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.301 -0.959 -16.204 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -1.975 0.741 -14.413 1.00 0.00 C ATOM 0 H VAL A 84 1.152 -0.042 -14.842 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.022 -1.444 -13.501 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.544 0.267 -15.955 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.824 -0.220 -16.812 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.800 -1.675 -16.855 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.019 -1.483 -15.573 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.502 1.477 -15.021 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.690 0.212 -13.783 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.243 1.247 -13.784 1.00 0.00 H new ATOM 1101 N GLU A 85 0.525 -2.770 -16.031 1.00 0.00 N ATOM 1102 CA GLU A 85 0.657 -4.024 -16.807 1.00 0.00 C ATOM 1103 C GLU A 85 1.141 -5.166 -15.923 1.00 0.00 C ATOM 1104 O GLU A 85 0.825 -6.313 -16.165 1.00 0.00 O ATOM 1105 CB GLU A 85 1.695 -3.795 -17.922 1.00 0.00 C ATOM 1106 CG GLU A 85 0.994 -3.253 -19.174 1.00 0.00 C ATOM 1107 CD GLU A 85 1.881 -3.501 -20.396 1.00 0.00 C ATOM 1108 OE1 GLU A 85 2.052 -4.667 -20.714 1.00 0.00 O ATOM 1109 OE2 GLU A 85 2.337 -2.511 -20.944 1.00 0.00 O ATOM 0 H GLU A 85 1.251 -2.073 -16.199 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.317 -4.289 -17.218 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.456 -3.091 -17.585 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.206 -4.729 -18.155 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.029 -3.742 -19.305 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.798 -2.187 -19.063 1.00 0.00 H new ATOM 1116 N LEU A 86 1.901 -4.838 -14.911 1.00 0.00 N ATOM 1117 CA LEU A 86 2.406 -5.905 -14.011 1.00 0.00 C ATOM 1118 C LEU A 86 1.346 -6.303 -12.997 1.00 0.00 C ATOM 1119 O LEU A 86 1.325 -7.419 -12.535 1.00 0.00 O ATOM 1120 CB LEU A 86 3.638 -5.372 -13.261 1.00 0.00 C ATOM 1121 CG LEU A 86 4.919 -5.855 -13.970 1.00 0.00 C ATOM 1122 CD1 LEU A 86 5.192 -7.305 -13.565 1.00 0.00 C ATOM 1123 CD2 LEU A 86 4.730 -5.783 -15.494 1.00 0.00 C ATOM 0 H LEU A 86 2.189 -3.889 -14.674 1.00 0.00 H new ATOM 0 HA LEU A 86 2.663 -6.780 -14.608 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.615 -4.283 -13.230 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.627 -5.721 -12.228 1.00 0.00 H new ATOM 0 HG LEU A 86 5.757 -5.220 -13.682 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.096 -7.657 -14.061 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.325 -7.362 -12.485 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.349 -7.930 -13.860 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.638 -6.125 -15.990 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.895 -6.419 -15.787 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.523 -4.754 -15.787 1.00 0.00 H new ATOM 1135 N MET A 87 0.488 -5.374 -12.674 1.00 0.00 N ATOM 1136 CA MET A 87 -0.593 -5.663 -11.687 1.00 0.00 C ATOM 1137 C MET A 87 -1.945 -5.729 -12.384 1.00 0.00 C ATOM 1138 O MET A 87 -2.942 -6.089 -11.790 1.00 0.00 O ATOM 1139 CB MET A 87 -0.626 -4.518 -10.657 1.00 0.00 C ATOM 1140 CG MET A 87 0.644 -4.561 -9.796 1.00 0.00 C ATOM 1141 SD MET A 87 1.500 -6.151 -9.628 1.00 0.00 S ATOM 1142 CE MET A 87 0.382 -6.904 -8.413 1.00 0.00 C ATOM 0 H MET A 87 0.488 -4.426 -13.051 1.00 0.00 H new ATOM 0 HA MET A 87 -0.395 -6.620 -11.204 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.698 -3.558 -11.168 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.509 -4.610 -10.025 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.352 -3.842 -10.208 1.00 0.00 H new ATOM 0 HG3 MET A 87 0.382 -4.214 -8.796 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.734 -7.906 -8.167 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.363 -6.294 -7.510 1.00 0.00 H new ATOM 0 HE3 MET A 87 -0.623 -6.965 -8.832 1.00 0.00 H new ATOM 1152 N GLY A 88 -1.948 -5.381 -13.636 1.00 0.00 N ATOM 1153 CA GLY A 88 -3.225 -5.406 -14.414 1.00 0.00 C ATOM 1154 C GLY A 88 -3.958 -6.741 -14.241 1.00 0.00 C ATOM 1155 O GLY A 88 -5.005 -6.808 -13.629 1.00 0.00 O ATOM 0 H GLY A 88 -1.126 -5.080 -14.159 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.869 -4.590 -14.086 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.013 -5.240 -15.470 1.00 0.00 H new ATOM 1159 N PRO A 89 -3.381 -7.777 -14.800 1.00 0.00 N ATOM 1160 CA PRO A 89 -3.957 -9.120 -14.724 1.00 0.00 C ATOM 1161 C PRO A 89 -4.144 -9.592 -13.276 1.00 0.00 C ATOM 1162 O PRO A 89 -4.312 -10.767 -13.030 1.00 0.00 O ATOM 1163 CB PRO A 89 -2.938 -10.027 -15.448 1.00 0.00 C ATOM 1164 CG PRO A 89 -1.792 -9.108 -15.976 1.00 0.00 C ATOM 1165 CD PRO A 89 -2.123 -7.670 -15.543 1.00 0.00 C ATOM 0 HA PRO A 89 -4.949 -9.144 -15.174 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.543 -10.781 -14.767 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.414 -10.559 -16.272 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.830 -9.420 -15.569 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.715 -9.175 -17.061 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.331 -7.253 -14.920 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.229 -7.013 -16.406 1.00 0.00 H new ATOM 1173 N LYS A 90 -4.113 -8.658 -12.353 1.00 0.00 N ATOM 1174 CA LYS A 90 -4.286 -9.013 -10.909 1.00 0.00 C ATOM 1175 C LYS A 90 -3.165 -9.920 -10.401 1.00 0.00 C ATOM 1176 O LYS A 90 -2.714 -9.772 -9.282 1.00 0.00 O ATOM 1177 CB LYS A 90 -5.632 -9.742 -10.733 1.00 0.00 C ATOM 1178 CG LYS A 90 -6.705 -9.038 -11.567 1.00 0.00 C ATOM 1179 CD LYS A 90 -8.018 -9.811 -11.444 1.00 0.00 C ATOM 1180 CE LYS A 90 -9.161 -8.826 -11.207 1.00 0.00 C ATOM 1181 NZ LYS A 90 -10.398 -9.552 -10.809 1.00 0.00 N ATOM 0 H LYS A 90 -3.975 -7.665 -12.539 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.258 -8.089 -10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -5.538 -10.782 -11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.920 -9.749 -9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.838 -8.013 -11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.396 -8.985 -12.611 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.201 -10.387 -12.351 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.959 -10.523 -10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.882 -8.116 -10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.346 -8.249 -12.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.166 -8.869 -10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.671 -10.212 -11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.222 -10.083 -9.932 1.00 0.00 H new ATOM 1195 N LEU A 91 -2.743 -10.844 -11.219 1.00 0.00 N ATOM 1196 CA LEU A 91 -1.655 -11.759 -10.785 1.00 0.00 C ATOM 1197 C LEU A 91 -2.019 -12.442 -9.472 1.00 0.00 C ATOM 1198 O LEU A 91 -2.396 -13.596 -9.423 1.00 0.00 O ATOM 1199 CB LEU A 91 -0.372 -10.931 -10.573 1.00 0.00 C ATOM 1200 CG LEU A 91 0.482 -10.976 -11.842 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -0.367 -10.506 -13.034 1.00 0.00 C ATOM 1202 CD2 LEU A 91 1.685 -10.037 -11.660 1.00 0.00 C ATOM 0 H LEU A 91 -3.102 -11.003 -12.161 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.505 -12.521 -11.550 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.628 -9.900 -10.331 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.192 -11.326 -9.728 1.00 0.00 H new ATOM 0 HG LEU A 91 0.834 -11.991 -12.027 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.234 -10.535 -13.943 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.229 -11.163 -13.148 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.709 -9.486 -12.858 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.303 -10.059 -12.558 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.331 -9.021 -11.488 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.276 -10.364 -10.805 1.00 0.00 H new