USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 852 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 110 GLN : amide:sc= -0.469 X(o=-0.49,f=-0.81) USER MOD Set 1.2: A 111 LYS NZ :NH3+ 150:sc= -0.0164 (180deg=-0.448) USER MOD Set 2.1: A 77 CYS SG : rot 73:sc= 1.5 USER MOD Set 2.2: A 100 TYR OH : rot 122:sc= 1.35 USER MOD Set 3.1: A 39 CYS SG : rot 84:sc= -5.92! USER MOD Set 3.2: A 63 ASN : amide:sc= -6.62! C(o=-13!,f=-19!) USER MOD Set 4.1: A 20 TYR OH : rot -134:sc= -0.409 USER MOD Set 4.2: A 43 HIS : no HD1:sc= -0.81 K(o=-1.2,f=-12!) USER MOD Set 5.1: A 27 ASN : amide:sc= -0.677 K(o=-0.68,f=-8!) USER MOD Set 5.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 22 HIS : no HE2:sc= -1.5! C(o=-2.8!,f=-11!) USER MOD Set 6.2: A 36 MET CE :methyl 170:sc= -0.545 (180deg=0) USER MOD Set 6.3: A 52 TYR OH : rot -150:sc= -0.748 USER MOD Single : A 7 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.2!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 24:sc= 1.46 USER MOD Single : A 16 MET CE :methyl -167:sc= -3.67 (180deg=-3.89) USER MOD Single : A 17 THR OG1 : rot 80:sc= -0.438 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.0046) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 31 SER OG : rot -98:sc= 0.275 USER MOD Single : A 33 SER OG : rot 116:sc= 0.913 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 84:sc= -1.34! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 89:sc= 0.86 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 86 MET CE :methyl -157:sc= -0.114 (180deg=-0.287) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 165:sc= -0.856 (180deg=-1.01) USER MOD Single : A 96 CYS SG : rot -67:sc= -1.55! USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 82:sc= 1.2 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 76:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 83 N ASN A 7 3.353 13.011 5.080 1.00 0.00 N ATOM 84 CA ASN A 7 3.058 13.657 3.808 1.00 0.00 C ATOM 85 C ASN A 7 3.877 13.010 2.696 1.00 0.00 C ATOM 86 O ASN A 7 3.398 12.826 1.578 1.00 0.00 O ATOM 87 CB ASN A 7 3.381 15.154 3.888 1.00 0.00 C ATOM 88 CG ASN A 7 2.609 15.918 2.817 1.00 0.00 C ATOM 89 OD1 ASN A 7 1.448 15.607 2.548 1.00 0.00 O ATOM 90 ND2 ASN A 7 3.188 16.900 2.185 1.00 0.00 N ATOM 0 HA ASN A 7 1.997 13.536 3.589 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.123 15.537 4.875 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.452 15.310 3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.679 17.414 1.465 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.150 17.155 2.410 1.00 0.00 H new ATOM 97 N MET A 8 5.121 12.674 3.021 1.00 0.00 N ATOM 98 CA MET A 8 6.013 12.052 2.053 1.00 0.00 C ATOM 99 C MET A 8 5.426 10.738 1.555 1.00 0.00 C ATOM 100 O MET A 8 5.359 10.497 0.353 1.00 0.00 O ATOM 101 CB MET A 8 7.371 11.789 2.719 1.00 0.00 C ATOM 102 CG MET A 8 8.349 11.154 1.722 1.00 0.00 C ATOM 103 SD MET A 8 8.655 12.296 0.353 1.00 0.00 S ATOM 104 CE MET A 8 9.690 11.184 -0.632 1.00 0.00 C ATOM 0 H MET A 8 5.532 12.822 3.943 1.00 0.00 H new ATOM 0 HA MET A 8 6.138 12.721 1.202 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.784 12.725 3.096 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.239 11.130 3.577 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.287 10.912 2.222 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.939 10.218 1.342 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.002 11.691 -1.545 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.571 10.901 -0.056 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.122 10.290 -0.889 1.00 0.00 H new ATOM 114 N LEU A 9 4.996 9.897 2.486 1.00 0.00 N ATOM 115 CA LEU A 9 4.416 8.616 2.139 1.00 0.00 C ATOM 116 C LEU A 9 3.134 8.802 1.344 1.00 0.00 C ATOM 117 O LEU A 9 2.901 8.120 0.347 1.00 0.00 O ATOM 118 CB LEU A 9 4.091 7.861 3.421 1.00 0.00 C ATOM 119 CG LEU A 9 5.375 7.428 4.120 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.036 6.881 5.511 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.106 6.344 3.295 1.00 0.00 C ATOM 0 H LEU A 9 5.040 10.084 3.488 1.00 0.00 H new ATOM 0 HA LEU A 9 5.130 8.060 1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.503 8.495 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.481 6.987 3.192 1.00 0.00 H new ATOM 0 HG LEU A 9 6.034 8.291 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.952 6.571 6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.546 7.658 6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.368 6.025 5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.020 6.049 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.457 5.476 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.357 6.743 2.312 1.00 0.00 H new ATOM 133 N LEU A 10 2.301 9.725 1.806 1.00 0.00 N ATOM 134 CA LEU A 10 1.034 9.989 1.139 1.00 0.00 C ATOM 135 C LEU A 10 1.300 10.471 -0.284 1.00 0.00 C ATOM 136 O LEU A 10 0.692 9.995 -1.241 1.00 0.00 O ATOM 137 CB LEU A 10 0.241 11.045 1.924 1.00 0.00 C ATOM 138 CG LEU A 10 -1.090 11.356 1.223 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.929 10.078 1.089 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.869 12.398 2.042 1.00 0.00 C ATOM 0 H LEU A 10 2.477 10.298 2.631 1.00 0.00 H new ATOM 0 HA LEU A 10 0.445 9.073 1.098 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.050 10.686 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.831 11.957 2.015 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.884 11.750 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.870 10.311 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.380 9.342 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.134 9.672 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.814 12.619 1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.067 12.003 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.280 13.311 2.124 1.00 0.00 H new ATOM 152 N GLU A 11 2.223 11.416 -0.405 1.00 0.00 N ATOM 153 CA GLU A 11 2.589 11.969 -1.706 1.00 0.00 C ATOM 154 C GLU A 11 3.114 10.866 -2.609 1.00 0.00 C ATOM 155 O GLU A 11 2.655 10.653 -3.732 1.00 0.00 O ATOM 156 CB GLU A 11 3.708 12.979 -1.490 1.00 0.00 C ATOM 157 CG GLU A 11 3.960 13.766 -2.773 1.00 0.00 C ATOM 158 CD GLU A 11 5.084 14.772 -2.545 1.00 0.00 C ATOM 159 OE1 GLU A 11 6.233 14.361 -2.560 1.00 0.00 O ATOM 160 OE2 GLU A 11 4.778 15.937 -2.354 1.00 0.00 O ATOM 0 H GLU A 11 2.733 11.817 0.382 1.00 0.00 H new ATOM 0 HA GLU A 11 1.717 12.433 -2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.442 13.661 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.619 12.464 -1.185 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.226 13.086 -3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.051 14.284 -3.078 1.00 0.00 H new ATOM 167 N TRP A 12 4.091 10.186 -2.060 1.00 0.00 N ATOM 168 CA TRP A 12 4.779 9.082 -2.698 1.00 0.00 C ATOM 169 C TRP A 12 3.795 8.010 -3.177 1.00 0.00 C ATOM 170 O TRP A 12 3.697 7.737 -4.372 1.00 0.00 O ATOM 171 CB TRP A 12 5.711 8.558 -1.613 1.00 0.00 C ATOM 172 CG TRP A 12 6.492 7.365 -2.008 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.603 7.365 -2.768 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.278 6.002 -1.583 1.00 0.00 C ATOM 175 NE1 TRP A 12 8.083 6.069 -2.850 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.292 5.189 -2.132 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.297 5.407 -0.784 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.332 3.815 -1.890 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.329 4.026 -0.535 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.345 3.232 -1.086 1.00 0.00 C ATOM 0 H TRP A 12 4.444 10.390 -1.125 1.00 0.00 H new ATOM 0 HA TRP A 12 5.319 9.383 -3.596 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.401 9.352 -1.328 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.121 8.316 -0.729 1.00 0.00 H new ATOM 0 HD1 TRP A 12 8.046 8.232 -3.236 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.915 5.797 -3.374 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.511 6.012 -0.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.116 3.208 -2.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.568 3.573 0.083 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.366 2.170 -0.890 1.00 0.00 H new ATOM 191 N CYS A 13 3.054 7.419 -2.244 1.00 0.00 N ATOM 192 CA CYS A 13 2.080 6.388 -2.589 1.00 0.00 C ATOM 193 C CYS A 13 1.121 6.884 -3.678 1.00 0.00 C ATOM 194 O CYS A 13 0.821 6.167 -4.632 1.00 0.00 O ATOM 195 CB CYS A 13 1.284 6.019 -1.326 1.00 0.00 C ATOM 196 SG CYS A 13 2.164 4.736 -0.401 1.00 0.00 S ATOM 0 H CYS A 13 3.109 7.635 -1.249 1.00 0.00 H new ATOM 0 HA CYS A 13 2.606 5.514 -2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.146 6.901 -0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.290 5.665 -1.601 1.00 0.00 H new ATOM 0 HG CYS A 13 3.430 4.782 -0.692 1.00 0.00 H new ATOM 202 N ARG A 14 0.648 8.111 -3.510 1.00 0.00 N ATOM 203 CA ARG A 14 -0.287 8.707 -4.466 1.00 0.00 C ATOM 204 C ARG A 14 0.343 8.799 -5.847 1.00 0.00 C ATOM 205 O ARG A 14 -0.195 8.294 -6.834 1.00 0.00 O ATOM 206 CB ARG A 14 -0.656 10.116 -4.016 1.00 0.00 C ATOM 207 CG ARG A 14 -1.814 10.643 -4.869 1.00 0.00 C ATOM 208 CD ARG A 14 -2.095 12.101 -4.502 1.00 0.00 C ATOM 209 NE ARG A 14 -0.967 12.943 -4.889 1.00 0.00 N ATOM 210 CZ ARG A 14 -0.943 14.241 -4.594 1.00 0.00 C ATOM 211 NH1 ARG A 14 -1.637 15.086 -5.306 1.00 0.00 N ATOM 212 NH2 ARG A 14 -0.221 14.670 -3.594 1.00 0.00 N ATOM 0 H ARG A 14 0.893 8.715 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.174 8.075 -4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.940 10.109 -2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.207 10.776 -4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.565 10.565 -5.927 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.705 10.037 -4.705 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.001 12.442 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.271 12.187 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.183 12.530 -5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.199 14.752 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.618 16.080 -5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.325 14.011 -3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.203 15.664 -3.368 1.00 0.00 H new ATOM 226 N ALA A 15 1.484 9.464 -5.895 1.00 0.00 N ATOM 227 CA ALA A 15 2.211 9.657 -7.145 1.00 0.00 C ATOM 228 C ALA A 15 2.271 8.370 -7.958 1.00 0.00 C ATOM 229 O ALA A 15 2.606 8.389 -9.142 1.00 0.00 O ATOM 230 CB ALA A 15 3.630 10.137 -6.848 1.00 0.00 C ATOM 0 H ALA A 15 1.932 9.883 -5.080 1.00 0.00 H new ATOM 0 HA ALA A 15 1.679 10.407 -7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.169 10.280 -7.784 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.589 11.081 -6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.146 9.393 -6.242 1.00 0.00 H new ATOM 236 N MET A 16 1.960 7.250 -7.310 1.00 0.00 N ATOM 237 CA MET A 16 1.990 5.942 -7.971 1.00 0.00 C ATOM 238 C MET A 16 0.615 5.274 -7.934 1.00 0.00 C ATOM 239 O MET A 16 0.422 4.203 -8.508 1.00 0.00 O ATOM 240 CB MET A 16 3.044 5.065 -7.286 1.00 0.00 C ATOM 241 CG MET A 16 4.432 5.603 -7.644 1.00 0.00 C ATOM 242 SD MET A 16 5.690 4.790 -6.634 1.00 0.00 S ATOM 243 CE MET A 16 5.528 5.835 -5.167 1.00 0.00 C ATOM 0 H MET A 16 1.684 7.219 -6.329 1.00 0.00 H new ATOM 0 HA MET A 16 2.254 6.075 -9.020 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.901 5.075 -6.205 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.944 4.029 -7.611 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.636 5.432 -8.701 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.466 6.681 -7.484 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.371 5.658 -4.499 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.516 6.883 -5.466 1.00 0.00 H new ATOM 0 HE3 MET A 16 4.599 5.595 -4.650 1.00 0.00 H new ATOM 253 N THR A 17 -0.341 5.914 -7.257 1.00 0.00 N ATOM 254 CA THR A 17 -1.702 5.376 -7.154 1.00 0.00 C ATOM 255 C THR A 17 -2.611 5.985 -8.225 1.00 0.00 C ATOM 256 O THR A 17 -3.723 5.507 -8.457 1.00 0.00 O ATOM 257 CB THR A 17 -2.270 5.684 -5.748 1.00 0.00 C ATOM 258 OG1 THR A 17 -3.040 4.579 -5.303 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.156 6.948 -5.760 1.00 0.00 C ATOM 0 H THR A 17 -0.200 6.801 -6.774 1.00 0.00 H new ATOM 0 HA THR A 17 -1.665 4.298 -7.309 1.00 0.00 H new ATOM 0 HB THR A 17 -1.432 5.862 -5.074 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.443 3.882 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.538 7.134 -4.756 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.565 7.803 -6.088 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.991 6.800 -6.444 1.00 0.00 H new ATOM 267 N ARG A 18 -2.133 7.042 -8.862 1.00 0.00 N ATOM 268 CA ARG A 18 -2.912 7.713 -9.890 1.00 0.00 C ATOM 269 C ARG A 18 -3.090 6.782 -11.078 1.00 0.00 C ATOM 270 O ARG A 18 -4.191 6.607 -11.603 1.00 0.00 O ATOM 271 CB ARG A 18 -2.181 8.984 -10.314 1.00 0.00 C ATOM 272 CG ARG A 18 -2.245 10.000 -9.169 1.00 0.00 C ATOM 273 CD ARG A 18 -1.492 11.265 -9.568 1.00 0.00 C ATOM 274 NE ARG A 18 -0.067 10.986 -9.679 1.00 0.00 N ATOM 275 CZ ARG A 18 0.785 11.922 -10.073 1.00 0.00 C ATOM 276 NH1 ARG A 18 1.291 12.751 -9.201 1.00 0.00 N ATOM 277 NH2 ARG A 18 1.113 12.015 -11.332 1.00 0.00 N ATOM 0 H ARG A 18 -1.215 7.452 -8.687 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.896 7.978 -9.504 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.143 8.758 -10.559 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.638 9.399 -11.212 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.283 10.239 -8.939 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.808 9.574 -8.266 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.872 11.639 -10.519 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.661 12.047 -8.827 1.00 0.00 H new ATOM 0 HE ARG A 18 0.281 10.055 -9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.031 12.678 -8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.947 13.472 -9.503 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.714 11.368 -12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.768 12.735 -11.636 1.00 0.00 H new ATOM 291 N ASN A 19 -1.977 6.185 -11.473 1.00 0.00 N ATOM 292 CA ASN A 19 -1.957 5.249 -12.588 1.00 0.00 C ATOM 293 C ASN A 19 -3.065 4.219 -12.413 1.00 0.00 C ATOM 294 O ASN A 19 -3.592 3.674 -13.383 1.00 0.00 O ATOM 295 CB ASN A 19 -0.605 4.540 -12.647 1.00 0.00 C ATOM 296 CG ASN A 19 -0.598 3.523 -13.783 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.501 2.319 -13.539 1.00 0.00 O ATOM 298 ND2 ASN A 19 -0.697 3.936 -15.017 1.00 0.00 N ATOM 0 H ASN A 19 -1.068 6.333 -11.034 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.115 5.798 -13.516 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.191 5.269 -12.796 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.406 4.040 -11.699 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.694 3.262 -15.782 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.777 4.933 -15.216 1.00 0.00 H new ATOM 305 N TYR A 20 -3.406 3.962 -11.155 1.00 0.00 N ATOM 306 CA TYR A 20 -4.448 2.999 -10.814 1.00 0.00 C ATOM 307 C TYR A 20 -5.793 3.699 -10.653 1.00 0.00 C ATOM 308 O TYR A 20 -5.849 4.888 -10.342 1.00 0.00 O ATOM 309 CB TYR A 20 -4.075 2.307 -9.507 1.00 0.00 C ATOM 310 CG TYR A 20 -2.898 1.395 -9.741 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.605 1.922 -9.804 1.00 0.00 C ATOM 312 CD2 TYR A 20 -3.104 0.022 -9.900 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.515 1.074 -10.025 1.00 0.00 C ATOM 314 CE2 TYR A 20 -2.016 -0.828 -10.122 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.719 -0.303 -10.185 1.00 0.00 C ATOM 316 OH TYR A 20 0.358 -1.138 -10.406 1.00 0.00 O ATOM 0 H TYR A 20 -2.972 4.411 -10.348 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.532 2.266 -11.617 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.829 3.049 -8.747 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.923 1.735 -9.131 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.448 2.984 -9.682 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.104 -0.383 -9.851 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.484 1.481 -10.072 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.176 -1.889 -10.245 1.00 0.00 H new ATOM 0 HH TYR A 20 0.149 -1.754 -11.139 1.00 0.00 H new ATOM 326 N GLU A 21 -6.879 2.956 -10.878 1.00 0.00 N ATOM 327 CA GLU A 21 -8.231 3.512 -10.769 1.00 0.00 C ATOM 328 C GLU A 21 -8.995 2.864 -9.624 1.00 0.00 C ATOM 329 O GLU A 21 -8.516 1.910 -9.011 1.00 0.00 O ATOM 330 CB GLU A 21 -8.994 3.275 -12.067 1.00 0.00 C ATOM 331 CG GLU A 21 -8.363 4.099 -13.188 1.00 0.00 C ATOM 332 CD GLU A 21 -9.082 3.819 -14.500 1.00 0.00 C ATOM 333 OE1 GLU A 21 -10.054 3.083 -14.474 1.00 0.00 O ATOM 334 OE2 GLU A 21 -8.653 4.346 -15.513 1.00 0.00 O ATOM 0 H GLU A 21 -6.850 1.970 -11.136 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.141 4.581 -10.576 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.974 2.216 -12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.040 3.553 -11.942 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.423 5.161 -12.949 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.305 3.852 -13.282 1.00 0.00 H new ATOM 341 N HIS A 22 -10.179 3.404 -9.329 1.00 0.00 N ATOM 342 CA HIS A 22 -10.996 2.879 -8.241 1.00 0.00 C ATOM 343 C HIS A 22 -10.216 3.010 -6.936 1.00 0.00 C ATOM 344 O HIS A 22 -10.639 2.542 -5.882 1.00 0.00 O ATOM 345 CB HIS A 22 -11.353 1.411 -8.529 1.00 0.00 C ATOM 346 CG HIS A 22 -12.391 0.907 -7.558 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.132 0.767 -6.206 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.681 0.472 -7.737 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.239 0.267 -5.628 1.00 0.00 C ATOM 350 NE2 HIS A 22 -14.215 0.070 -6.517 1.00 0.00 N ATOM 0 H HIS A 22 -10.588 4.196 -9.824 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.925 3.442 -8.155 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.727 1.317 -9.548 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.456 0.795 -8.461 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.259 1.001 -5.733 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.202 0.446 -8.682 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.327 0.051 -4.573 1.00 0.00 H new ATOM 358 N VAL A 23 -9.062 3.673 -7.028 1.00 0.00 N ATOM 359 CA VAL A 23 -8.195 3.890 -5.870 1.00 0.00 C ATOM 360 C VAL A 23 -7.968 5.386 -5.649 1.00 0.00 C ATOM 361 O VAL A 23 -7.572 6.108 -6.562 1.00 0.00 O ATOM 362 CB VAL A 23 -6.849 3.207 -6.129 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.835 3.570 -5.045 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.045 1.688 -6.163 1.00 0.00 C ATOM 0 H VAL A 23 -8.705 4.070 -7.897 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.668 3.472 -4.981 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.464 3.552 -7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.888 3.072 -5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.683 4.649 -5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.210 3.247 -4.074 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.087 1.202 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.445 1.351 -5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.743 1.429 -6.959 1.00 0.00 H new ATOM 374 N ASP A 24 -8.219 5.837 -4.426 1.00 0.00 N ATOM 375 CA ASP A 24 -8.039 7.247 -4.069 1.00 0.00 C ATOM 376 C ASP A 24 -7.453 7.345 -2.668 1.00 0.00 C ATOM 377 O ASP A 24 -8.147 7.110 -1.681 1.00 0.00 O ATOM 378 CB ASP A 24 -9.377 7.985 -4.118 1.00 0.00 C ATOM 379 CG ASP A 24 -9.141 9.491 -4.086 1.00 0.00 C ATOM 380 OD1 ASP A 24 -8.170 9.928 -4.682 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.930 10.184 -3.468 1.00 0.00 O ATOM 0 H ASP A 24 -8.549 5.249 -3.660 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.359 7.708 -4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.920 7.712 -5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.997 7.687 -3.273 1.00 0.00 H new ATOM 386 N ILE A 25 -6.160 7.649 -2.587 1.00 0.00 N ATOM 387 CA ILE A 25 -5.481 7.720 -1.294 1.00 0.00 C ATOM 388 C ILE A 25 -5.572 9.112 -0.659 1.00 0.00 C ATOM 389 O ILE A 25 -4.621 9.896 -0.691 1.00 0.00 O ATOM 390 CB ILE A 25 -4.023 7.287 -1.476 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.021 5.902 -2.137 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.332 7.192 -0.113 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.587 5.412 -2.337 1.00 0.00 C ATOM 0 H ILE A 25 -5.566 7.848 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.983 7.043 -0.603 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.492 8.013 -2.092 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.571 5.195 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.534 5.949 -3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.296 6.884 -0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.359 8.165 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.849 6.459 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.601 4.428 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.049 6.112 -2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.087 5.346 -1.371 1.00 0.00 H new ATOM 405 N GLN A 26 -6.730 9.383 -0.056 1.00 0.00 N ATOM 406 CA GLN A 26 -6.981 10.653 0.638 1.00 0.00 C ATOM 407 C GLN A 26 -6.792 10.440 2.136 1.00 0.00 C ATOM 408 O GLN A 26 -6.782 11.383 2.928 1.00 0.00 O ATOM 409 CB GLN A 26 -8.406 11.139 0.352 1.00 0.00 C ATOM 410 CG GLN A 26 -9.421 10.220 1.041 1.00 0.00 C ATOM 411 CD GLN A 26 -10.825 10.524 0.538 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.015 11.445 -0.255 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.825 9.796 0.950 1.00 0.00 N ATOM 0 H GLN A 26 -7.518 8.735 -0.033 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.282 11.410 0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.529 12.162 0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.586 11.152 -0.723 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.173 9.177 0.843 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.375 10.359 2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.664 9.033 1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.769 9.989 0.615 1.00 0.00 H new ATOM 422 N ASN A 27 -6.638 9.177 2.494 1.00 0.00 N ATOM 423 CA ASN A 27 -6.434 8.778 3.878 1.00 0.00 C ATOM 424 C ASN A 27 -5.746 7.426 3.893 1.00 0.00 C ATOM 425 O ASN A 27 -5.551 6.815 2.843 1.00 0.00 O ATOM 426 CB ASN A 27 -7.771 8.693 4.625 1.00 0.00 C ATOM 427 CG ASN A 27 -7.526 8.568 6.128 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.680 7.485 6.696 1.00 0.00 O ATOM 429 ND2 ASN A 27 -7.151 9.616 6.813 1.00 0.00 N ATOM 0 H ASN A 27 -6.651 8.399 1.835 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.816 9.522 4.381 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.369 9.581 4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.341 7.835 4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.986 9.537 7.816 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.023 10.513 6.344 1.00 0.00 H new ATOM 436 N PHE A 28 -5.372 6.960 5.075 1.00 0.00 N ATOM 437 CA PHE A 28 -4.696 5.672 5.193 1.00 0.00 C ATOM 438 C PHE A 28 -5.670 4.600 5.669 1.00 0.00 C ATOM 439 O PHE A 28 -5.345 3.412 5.690 1.00 0.00 O ATOM 440 CB PHE A 28 -3.538 5.799 6.182 1.00 0.00 C ATOM 441 CG PHE A 28 -2.415 6.578 5.535 1.00 0.00 C ATOM 442 CD1 PHE A 28 -2.395 7.976 5.606 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.398 5.898 4.858 1.00 0.00 C ATOM 444 CE1 PHE A 28 -1.357 8.693 4.998 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.360 6.612 4.250 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.338 8.010 4.321 1.00 0.00 C ATOM 0 H PHE A 28 -5.522 7.447 5.959 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.313 5.380 4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.872 6.304 7.088 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.187 4.811 6.479 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.180 8.501 6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.414 4.819 4.804 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.342 9.772 5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.424 6.085 3.726 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.464 8.562 3.854 1.00 0.00 H new ATOM 456 N SER A 29 -6.854 5.039 6.085 1.00 0.00 N ATOM 457 CA SER A 29 -7.879 4.134 6.610 1.00 0.00 C ATOM 458 C SER A 29 -8.991 3.849 5.601 1.00 0.00 C ATOM 459 O SER A 29 -9.088 2.745 5.066 1.00 0.00 O ATOM 460 CB SER A 29 -8.498 4.767 7.852 1.00 0.00 C ATOM 461 OG SER A 29 -7.464 5.135 8.756 1.00 0.00 O ATOM 0 H SER A 29 -7.131 6.020 6.070 1.00 0.00 H new ATOM 0 HA SER A 29 -7.393 3.186 6.839 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.083 5.644 7.574 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.182 4.065 8.330 1.00 0.00 H new ATOM 0 HG SER A 29 -7.858 5.544 9.555 1.00 0.00 H new ATOM 467 N SER A 30 -9.846 4.842 5.381 1.00 0.00 N ATOM 468 CA SER A 30 -10.982 4.691 4.478 1.00 0.00 C ATOM 469 C SER A 30 -10.558 4.307 3.068 1.00 0.00 C ATOM 470 O SER A 30 -11.186 3.460 2.435 1.00 0.00 O ATOM 471 CB SER A 30 -11.760 6.003 4.417 1.00 0.00 C ATOM 472 OG SER A 30 -10.892 7.040 3.978 1.00 0.00 O ATOM 0 H SER A 30 -9.774 5.762 5.816 1.00 0.00 H new ATOM 0 HA SER A 30 -11.602 3.886 4.872 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.606 5.907 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.167 6.244 5.399 1.00 0.00 H new ATOM 0 HG SER A 30 -11.387 7.885 3.935 1.00 0.00 H new ATOM 478 N SER A 31 -9.513 4.939 2.575 1.00 0.00 N ATOM 479 CA SER A 31 -9.047 4.657 1.227 1.00 0.00 C ATOM 480 C SER A 31 -8.371 3.294 1.152 1.00 0.00 C ATOM 481 O SER A 31 -7.868 2.899 0.101 1.00 0.00 O ATOM 482 CB SER A 31 -8.077 5.744 0.788 1.00 0.00 C ATOM 483 OG SER A 31 -8.800 6.942 0.564 1.00 0.00 O ATOM 0 H SER A 31 -8.974 5.644 3.078 1.00 0.00 H new ATOM 0 HA SER A 31 -9.909 4.642 0.559 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.316 5.901 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.558 5.441 -0.122 1.00 0.00 H new ATOM 0 HG SER A 31 -8.987 7.037 -0.393 1.00 0.00 H new ATOM 489 N TRP A 32 -8.350 2.583 2.277 1.00 0.00 N ATOM 490 CA TRP A 32 -7.718 1.263 2.344 1.00 0.00 C ATOM 491 C TRP A 32 -8.735 0.166 2.651 1.00 0.00 C ATOM 492 O TRP A 32 -8.419 -1.022 2.575 1.00 0.00 O ATOM 493 CB TRP A 32 -6.665 1.294 3.438 1.00 0.00 C ATOM 494 CG TRP A 32 -5.546 2.168 3.013 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.632 3.504 2.843 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.179 1.798 2.706 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.397 3.976 2.440 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.467 2.961 2.353 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.496 0.574 2.699 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.119 2.914 2.012 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.140 0.523 2.346 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.454 1.691 2.009 1.00 0.00 C ATOM 0 H TRP A 32 -8.763 2.897 3.156 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.271 1.038 1.376 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.099 1.665 4.367 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.300 0.286 3.637 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.517 4.104 2.996 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.198 4.955 2.232 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.016 -0.334 2.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.592 3.820 1.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.623 -0.425 2.335 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.407 1.646 1.746 1.00 0.00 H new ATOM 513 N SER A 33 -9.945 0.565 3.018 1.00 0.00 N ATOM 514 CA SER A 33 -10.983 -0.404 3.357 1.00 0.00 C ATOM 515 C SER A 33 -11.263 -1.352 2.195 1.00 0.00 C ATOM 516 O SER A 33 -11.848 -2.418 2.387 1.00 0.00 O ATOM 517 CB SER A 33 -12.274 0.326 3.734 1.00 0.00 C ATOM 518 OG SER A 33 -13.228 -0.619 4.202 1.00 0.00 O ATOM 0 H SER A 33 -10.232 1.541 3.089 1.00 0.00 H new ATOM 0 HA SER A 33 -10.625 -0.992 4.203 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.073 1.070 4.505 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.668 0.861 2.870 1.00 0.00 H new ATOM 0 HG SER A 33 -13.426 -0.444 5.146 1.00 0.00 H new ATOM 524 N SER A 34 -10.858 -0.965 0.987 1.00 0.00 N ATOM 525 CA SER A 34 -11.093 -1.799 -0.190 1.00 0.00 C ATOM 526 C SER A 34 -9.960 -2.800 -0.403 1.00 0.00 C ATOM 527 O SER A 34 -10.135 -3.803 -1.094 1.00 0.00 O ATOM 528 CB SER A 34 -11.203 -0.910 -1.428 1.00 0.00 C ATOM 529 OG SER A 34 -12.048 0.196 -1.142 1.00 0.00 O ATOM 0 H SER A 34 -10.371 -0.089 0.798 1.00 0.00 H new ATOM 0 HA SER A 34 -12.018 -2.352 -0.029 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.215 -0.559 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.604 -1.481 -2.265 1.00 0.00 H new ATOM 0 HG SER A 34 -12.118 0.768 -1.935 1.00 0.00 H new ATOM 535 N GLY A 35 -8.794 -2.511 0.162 1.00 0.00 N ATOM 536 CA GLY A 35 -7.644 -3.390 -0.019 1.00 0.00 C ATOM 537 C GLY A 35 -7.049 -3.147 -1.396 1.00 0.00 C ATOM 538 O GLY A 35 -5.958 -3.613 -1.717 1.00 0.00 O ATOM 0 H GLY A 35 -8.620 -1.689 0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.898 -3.199 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.947 -4.432 0.082 1.00 0.00 H new ATOM 542 N MET A 36 -7.794 -2.395 -2.200 1.00 0.00 N ATOM 543 CA MET A 36 -7.379 -2.056 -3.549 1.00 0.00 C ATOM 544 C MET A 36 -6.061 -1.287 -3.514 1.00 0.00 C ATOM 545 O MET A 36 -5.281 -1.327 -4.464 1.00 0.00 O ATOM 546 CB MET A 36 -8.463 -1.189 -4.193 1.00 0.00 C ATOM 547 CG MET A 36 -9.780 -1.972 -4.281 1.00 0.00 C ATOM 548 SD MET A 36 -9.770 -3.026 -5.754 1.00 0.00 S ATOM 549 CE MET A 36 -10.717 -1.925 -6.837 1.00 0.00 C ATOM 0 H MET A 36 -8.698 -2.007 -1.932 1.00 0.00 H new ATOM 0 HA MET A 36 -7.236 -2.968 -4.128 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.609 -0.281 -3.608 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.148 -0.879 -5.189 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.912 -2.582 -3.387 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.622 -1.281 -4.323 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.681 -2.301 -7.859 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.753 -1.887 -6.501 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.288 -0.924 -6.803 1.00 0.00 H new ATOM 559 N ALA A 37 -5.828 -0.574 -2.415 1.00 0.00 N ATOM 560 CA ALA A 37 -4.604 0.212 -2.273 1.00 0.00 C ATOM 561 C ALA A 37 -3.372 -0.685 -2.091 1.00 0.00 C ATOM 562 O ALA A 37 -2.361 -0.493 -2.764 1.00 0.00 O ATOM 563 CB ALA A 37 -4.731 1.169 -1.088 1.00 0.00 C ATOM 0 H ALA A 37 -6.462 -0.524 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.468 0.784 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.814 1.750 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.572 1.843 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.897 0.597 -0.175 1.00 0.00 H new ATOM 569 N PHE A 38 -3.450 -1.651 -1.174 1.00 0.00 N ATOM 570 CA PHE A 38 -2.314 -2.541 -0.926 1.00 0.00 C ATOM 571 C PHE A 38 -1.904 -3.280 -2.204 1.00 0.00 C ATOM 572 O PHE A 38 -0.720 -3.353 -2.531 1.00 0.00 O ATOM 573 CB PHE A 38 -2.664 -3.565 0.187 1.00 0.00 C ATOM 574 CG PHE A 38 -2.124 -3.097 1.529 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.740 -2.965 1.705 1.00 0.00 C ATOM 576 CD2 PHE A 38 -2.994 -2.801 2.588 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.228 -2.542 2.934 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.473 -2.373 3.823 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.091 -2.247 3.990 1.00 0.00 C ATOM 0 H PHE A 38 -4.272 -1.836 -0.600 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.474 -1.929 -0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.745 -3.691 0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.243 -4.539 -0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.069 -3.191 0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.061 -2.901 2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.839 -2.443 3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.140 -2.142 4.641 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.690 -1.921 4.938 1.00 0.00 H new ATOM 589 N CYS A 39 -2.878 -3.831 -2.914 1.00 0.00 N ATOM 590 CA CYS A 39 -2.584 -4.561 -4.143 1.00 0.00 C ATOM 591 C CYS A 39 -2.103 -3.613 -5.242 1.00 0.00 C ATOM 592 O CYS A 39 -1.140 -3.903 -5.951 1.00 0.00 O ATOM 593 CB CYS A 39 -3.841 -5.302 -4.620 1.00 0.00 C ATOM 594 SG CYS A 39 -3.967 -6.887 -3.763 1.00 0.00 S ATOM 0 H CYS A 39 -3.867 -3.789 -2.667 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.790 -5.278 -3.932 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.728 -4.699 -4.424 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.795 -5.462 -5.697 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.534 -6.711 -2.607 1.00 0.00 H new ATOM 600 N ALA A 40 -2.807 -2.499 -5.388 1.00 0.00 N ATOM 601 CA ALA A 40 -2.488 -1.517 -6.421 1.00 0.00 C ATOM 602 C ALA A 40 -1.091 -0.924 -6.249 1.00 0.00 C ATOM 603 O ALA A 40 -0.364 -0.734 -7.226 1.00 0.00 O ATOM 604 CB ALA A 40 -3.520 -0.392 -6.368 1.00 0.00 C ATOM 0 H ALA A 40 -3.605 -2.250 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.511 -2.027 -7.384 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.292 0.348 -7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.515 -0.802 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.491 0.082 -5.387 1.00 0.00 H new ATOM 610 N LEU A 41 -0.731 -0.616 -5.013 1.00 0.00 N ATOM 611 CA LEU A 41 0.571 -0.024 -4.724 1.00 0.00 C ATOM 612 C LEU A 41 1.703 -0.983 -5.104 1.00 0.00 C ATOM 613 O LEU A 41 2.692 -0.581 -5.717 1.00 0.00 O ATOM 614 CB LEU A 41 0.630 0.325 -3.233 1.00 0.00 C ATOM 615 CG LEU A 41 1.950 1.018 -2.875 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.087 2.346 -3.638 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.963 1.289 -1.367 1.00 0.00 C ATOM 0 H LEU A 41 -1.319 -0.765 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 41 0.700 0.881 -5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.206 0.976 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.521 -0.583 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 41 2.785 0.375 -3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.030 2.823 -3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.069 2.153 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.259 3.004 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.896 1.782 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.123 1.932 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.880 0.346 -0.827 1.00 0.00 H new ATOM 629 N ILE A 42 1.542 -2.254 -4.744 1.00 0.00 N ATOM 630 CA ILE A 42 2.540 -3.280 -5.054 1.00 0.00 C ATOM 631 C ILE A 42 2.646 -3.532 -6.562 1.00 0.00 C ATOM 632 O ILE A 42 3.743 -3.657 -7.104 1.00 0.00 O ATOM 633 CB ILE A 42 2.161 -4.584 -4.315 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.614 -4.505 -2.845 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.780 -5.818 -4.989 1.00 0.00 C ATOM 636 CD1 ILE A 42 4.155 -4.634 -2.716 1.00 0.00 C ATOM 0 H ILE A 42 0.728 -2.601 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 42 3.516 -2.930 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 42 1.077 -4.689 -4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.290 -3.558 -2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.132 -5.297 -2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.491 -6.715 -4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.422 -5.889 -6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.866 -5.726 -4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.438 -4.574 -1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.475 -5.593 -3.124 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.635 -3.826 -3.268 1.00 0.00 H new ATOM 648 N HIS A 43 1.501 -3.631 -7.219 1.00 0.00 N ATOM 649 CA HIS A 43 1.464 -3.898 -8.655 1.00 0.00 C ATOM 650 C HIS A 43 2.297 -2.878 -9.431 1.00 0.00 C ATOM 651 O HIS A 43 2.538 -3.036 -10.627 1.00 0.00 O ATOM 652 CB HIS A 43 0.013 -3.846 -9.136 1.00 0.00 C ATOM 653 CG HIS A 43 -0.056 -4.178 -10.602 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.555 -3.287 -11.538 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.291 -5.304 -11.305 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.499 -3.886 -12.739 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.008 -5.119 -12.656 1.00 0.00 N ATOM 0 H HIS A 43 0.584 -3.531 -6.784 1.00 0.00 H new ATOM 0 HA HIS A 43 1.887 -4.886 -8.835 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.593 -4.551 -8.566 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.402 -2.854 -8.960 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.719 -6.198 -10.876 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.825 -3.426 -13.660 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.156 -5.782 -13.417 1.00 0.00 H new ATOM 665 N LYS A 44 2.725 -1.833 -8.735 1.00 0.00 N ATOM 666 CA LYS A 44 3.524 -0.779 -9.355 1.00 0.00 C ATOM 667 C LYS A 44 4.992 -1.182 -9.473 1.00 0.00 C ATOM 668 O LYS A 44 5.671 -0.811 -10.430 1.00 0.00 O ATOM 669 CB LYS A 44 3.419 0.504 -8.516 1.00 0.00 C ATOM 670 CG LYS A 44 4.104 1.685 -9.238 1.00 0.00 C ATOM 671 CD LYS A 44 3.133 2.335 -10.227 1.00 0.00 C ATOM 672 CE LYS A 44 3.892 3.316 -11.116 1.00 0.00 C ATOM 673 NZ LYS A 44 2.921 4.079 -11.946 1.00 0.00 N ATOM 0 H LYS A 44 2.534 -1.691 -7.743 1.00 0.00 H new ATOM 0 HA LYS A 44 3.135 -0.610 -10.359 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.371 0.741 -8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.884 0.347 -7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.439 2.422 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.991 1.333 -9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.654 1.570 -10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.341 2.855 -9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.480 3.999 -10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.592 2.778 -11.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.435 4.749 -12.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.378 3.420 -12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.271 4.603 -11.326 1.00 0.00 H new ATOM 687 N PHE A 45 5.488 -1.907 -8.478 1.00 0.00 N ATOM 688 CA PHE A 45 6.891 -2.316 -8.461 1.00 0.00 C ATOM 689 C PHE A 45 7.077 -3.735 -9.000 1.00 0.00 C ATOM 690 O PHE A 45 8.182 -4.120 -9.385 1.00 0.00 O ATOM 691 CB PHE A 45 7.406 -2.252 -7.018 1.00 0.00 C ATOM 692 CG PHE A 45 6.843 -1.028 -6.325 1.00 0.00 C ATOM 693 CD1 PHE A 45 7.088 0.249 -6.844 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.083 -1.171 -5.154 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.572 1.378 -6.196 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.569 -0.042 -4.509 1.00 0.00 C ATOM 697 CZ PHE A 45 5.813 1.233 -5.028 1.00 0.00 C ATOM 0 H PHE A 45 4.945 -2.224 -7.675 1.00 0.00 H new ATOM 0 HA PHE A 45 7.452 -1.639 -9.105 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.115 -3.153 -6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.495 -2.215 -7.012 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.675 0.363 -7.744 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.895 -2.155 -4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.760 2.363 -6.598 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.983 -0.155 -3.609 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.417 2.105 -4.529 1.00 0.00 H new ATOM 707 N PHE A 46 6.005 -4.521 -8.992 1.00 0.00 N ATOM 708 CA PHE A 46 6.068 -5.915 -9.442 1.00 0.00 C ATOM 709 C PHE A 46 5.010 -6.207 -10.521 1.00 0.00 C ATOM 710 O PHE A 46 3.847 -6.420 -10.194 1.00 0.00 O ATOM 711 CB PHE A 46 5.833 -6.802 -8.222 1.00 0.00 C ATOM 712 CG PHE A 46 6.965 -6.582 -7.250 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.171 -7.269 -7.407 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.811 -5.672 -6.198 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.221 -7.048 -6.509 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.858 -5.451 -5.301 1.00 0.00 C ATOM 717 CZ PHE A 46 9.062 -6.138 -5.454 1.00 0.00 C ATOM 0 H PHE A 46 5.081 -4.221 -8.680 1.00 0.00 H new ATOM 0 HA PHE A 46 7.042 -6.113 -9.888 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.879 -6.559 -7.754 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.785 -7.850 -8.518 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.293 -7.969 -8.220 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.879 -5.139 -6.080 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.154 -7.578 -6.628 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.736 -4.749 -4.490 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.872 -5.969 -4.760 1.00 0.00 H new ATOM 727 N PRO A 47 5.370 -6.222 -11.798 1.00 0.00 N ATOM 728 CA PRO A 47 4.390 -6.506 -12.893 1.00 0.00 C ATOM 729 C PRO A 47 4.024 -7.989 -12.959 1.00 0.00 C ATOM 730 O PRO A 47 2.885 -8.350 -13.254 1.00 0.00 O ATOM 731 CB PRO A 47 5.103 -6.058 -14.192 1.00 0.00 C ATOM 732 CG PRO A 47 6.459 -5.538 -13.782 1.00 0.00 C ATOM 733 CD PRO A 47 6.716 -5.984 -12.341 1.00 0.00 C ATOM 0 HA PRO A 47 3.450 -5.979 -12.731 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.202 -6.892 -14.887 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.529 -5.284 -14.702 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.233 -5.925 -14.445 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.490 -4.451 -13.856 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.326 -6.886 -12.305 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.246 -5.218 -11.774 1.00 0.00 H new ATOM 741 N GLU A 48 5.002 -8.837 -12.670 1.00 0.00 N ATOM 742 CA GLU A 48 4.783 -10.274 -12.684 1.00 0.00 C ATOM 743 C GLU A 48 3.898 -10.642 -11.504 1.00 0.00 C ATOM 744 O GLU A 48 3.528 -11.800 -11.312 1.00 0.00 O ATOM 745 CB GLU A 48 6.124 -11.008 -12.592 1.00 0.00 C ATOM 746 CG GLU A 48 6.963 -10.708 -13.840 1.00 0.00 C ATOM 747 CD GLU A 48 6.305 -11.309 -15.077 1.00 0.00 C ATOM 748 OE1 GLU A 48 5.516 -12.225 -14.917 1.00 0.00 O ATOM 749 OE2 GLU A 48 6.598 -10.843 -16.166 1.00 0.00 O ATOM 0 H GLU A 48 5.951 -8.555 -12.424 1.00 0.00 H new ATOM 0 HA GLU A 48 4.295 -10.568 -13.613 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.661 -10.694 -11.697 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.957 -12.081 -12.504 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.070 -9.630 -13.964 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.966 -11.116 -13.719 1.00 0.00 H new ATOM 756 N ALA A 49 3.573 -9.622 -10.716 1.00 0.00 N ATOM 757 CA ALA A 49 2.734 -9.792 -9.531 1.00 0.00 C ATOM 758 C ALA A 49 1.374 -10.383 -9.870 1.00 0.00 C ATOM 759 O ALA A 49 1.112 -11.560 -9.630 1.00 0.00 O ATOM 760 CB ALA A 49 2.496 -8.435 -8.880 1.00 0.00 C ATOM 0 H ALA A 49 3.879 -8.663 -10.877 1.00 0.00 H new ATOM 0 HA ALA A 49 3.259 -10.474 -8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.870 -8.560 -7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.451 -7.998 -8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.996 -7.775 -9.588 1.00 0.00 H new ATOM 766 N PHE A 50 0.522 -9.543 -10.436 1.00 0.00 N ATOM 767 CA PHE A 50 -0.813 -9.950 -10.822 1.00 0.00 C ATOM 768 C PHE A 50 -1.466 -8.848 -11.645 1.00 0.00 C ATOM 769 O PHE A 50 -1.014 -7.701 -11.631 1.00 0.00 O ATOM 770 CB PHE A 50 -1.659 -10.242 -9.577 1.00 0.00 C ATOM 771 CG PHE A 50 -1.425 -9.173 -8.530 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.090 -7.945 -8.616 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.544 -9.419 -7.471 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.871 -6.960 -7.643 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.327 -8.437 -6.496 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.988 -7.207 -6.582 1.00 0.00 C ATOM 0 H PHE A 50 0.738 -8.567 -10.638 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.748 -10.858 -11.422 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.715 -10.276 -9.844 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.401 -11.221 -9.173 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.772 -7.756 -9.432 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.031 -10.367 -7.405 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.382 -6.011 -7.710 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.351 -8.629 -5.678 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.818 -6.449 -5.832 1.00 0.00 H new ATOM 786 N ASP A 51 -2.541 -9.193 -12.336 1.00 0.00 N ATOM 787 CA ASP A 51 -3.264 -8.217 -13.138 1.00 0.00 C ATOM 788 C ASP A 51 -4.276 -7.493 -12.257 1.00 0.00 C ATOM 789 O ASP A 51 -5.375 -7.994 -12.017 1.00 0.00 O ATOM 790 CB ASP A 51 -3.982 -8.923 -14.288 1.00 0.00 C ATOM 791 CG ASP A 51 -4.725 -7.901 -15.146 1.00 0.00 C ATOM 792 OD1 ASP A 51 -4.758 -6.745 -14.760 1.00 0.00 O ATOM 793 OD2 ASP A 51 -5.249 -8.292 -16.176 1.00 0.00 O ATOM 0 H ASP A 51 -2.931 -10.135 -12.358 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.563 -7.493 -13.553 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.261 -9.467 -14.898 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.684 -9.657 -13.893 1.00 0.00 H new ATOM 798 N TYR A 52 -3.889 -6.321 -11.762 1.00 0.00 N ATOM 799 CA TYR A 52 -4.754 -5.534 -10.889 1.00 0.00 C ATOM 800 C TYR A 52 -6.038 -5.155 -11.597 1.00 0.00 C ATOM 801 O TYR A 52 -7.047 -4.853 -10.960 1.00 0.00 O ATOM 802 CB TYR A 52 -4.033 -4.255 -10.468 1.00 0.00 C ATOM 803 CG TYR A 52 -4.966 -3.376 -9.661 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.086 -3.555 -8.277 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.716 -2.382 -10.304 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.956 -2.744 -7.539 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.586 -1.571 -9.565 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.706 -1.752 -8.182 1.00 0.00 C ATOM 809 OH TYR A 52 -7.562 -0.952 -7.456 1.00 0.00 O ATOM 0 H TYR A 52 -2.982 -5.895 -11.951 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.994 -6.140 -10.015 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.151 -4.503 -9.877 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.685 -3.717 -11.350 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.507 -4.319 -7.779 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.623 -2.241 -11.371 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.049 -2.884 -6.472 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.164 -0.806 -10.062 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.314 -0.679 -8.022 1.00 0.00 H new ATOM 819 N ALA A 53 -5.998 -5.170 -12.916 1.00 0.00 N ATOM 820 CA ALA A 53 -7.168 -4.822 -13.705 1.00 0.00 C ATOM 821 C ALA A 53 -8.121 -6.006 -13.795 1.00 0.00 C ATOM 822 O ALA A 53 -9.263 -5.863 -14.230 1.00 0.00 O ATOM 823 CB ALA A 53 -6.735 -4.396 -15.107 1.00 0.00 C ATOM 0 H ALA A 53 -5.173 -5.418 -13.463 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.686 -3.995 -13.219 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.614 -4.136 -15.696 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.076 -3.531 -15.037 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.205 -5.217 -15.589 1.00 0.00 H new ATOM 829 N GLU A 54 -7.640 -7.183 -13.402 1.00 0.00 N ATOM 830 CA GLU A 54 -8.450 -8.397 -13.459 1.00 0.00 C ATOM 831 C GLU A 54 -9.117 -8.658 -12.120 1.00 0.00 C ATOM 832 O GLU A 54 -10.061 -9.446 -12.025 1.00 0.00 O ATOM 833 CB GLU A 54 -7.537 -9.574 -13.791 1.00 0.00 C ATOM 834 CG GLU A 54 -8.370 -10.778 -14.242 1.00 0.00 C ATOM 835 CD GLU A 54 -7.445 -11.910 -14.684 1.00 0.00 C ATOM 836 OE1 GLU A 54 -6.267 -11.648 -14.865 1.00 0.00 O ATOM 837 OE2 GLU A 54 -7.929 -13.019 -14.841 1.00 0.00 O ATOM 0 H GLU A 54 -6.696 -7.322 -13.042 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.222 -8.276 -14.219 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.838 -9.291 -14.578 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.943 -9.840 -12.917 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.009 -11.116 -13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.026 -10.491 -15.063 1.00 0.00 H new ATOM 844 N LEU A 55 -8.621 -7.997 -11.083 1.00 0.00 N ATOM 845 CA LEU A 55 -9.169 -8.168 -9.743 1.00 0.00 C ATOM 846 C LEU A 55 -10.435 -7.348 -9.560 1.00 0.00 C ATOM 847 O LEU A 55 -10.650 -6.353 -10.252 1.00 0.00 O ATOM 848 CB LEU A 55 -8.120 -7.747 -8.718 1.00 0.00 C ATOM 849 CG LEU A 55 -6.947 -8.747 -8.753 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.740 -8.185 -7.979 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.376 -10.098 -8.134 1.00 0.00 C ATOM 0 H LEU A 55 -7.843 -7.340 -11.142 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.428 -9.217 -9.600 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.763 -6.741 -8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.559 -7.718 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.661 -8.904 -9.793 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.920 -8.902 -8.013 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.421 -7.247 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.024 -8.007 -6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.538 -10.795 -8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.681 -9.943 -7.099 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.211 -10.509 -8.701 1.00 0.00 H new ATOM 863 N ASP A 56 -11.280 -7.781 -8.623 1.00 0.00 N ATOM 864 CA ASP A 56 -12.540 -7.095 -8.344 1.00 0.00 C ATOM 865 C ASP A 56 -12.601 -6.659 -6.872 1.00 0.00 C ATOM 866 O ASP A 56 -11.851 -7.180 -6.045 1.00 0.00 O ATOM 867 CB ASP A 56 -13.699 -8.054 -8.650 1.00 0.00 C ATOM 868 CG ASP A 56 -13.965 -8.102 -10.154 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.007 -8.212 -10.902 1.00 0.00 O ATOM 870 OD2 ASP A 56 -15.122 -8.028 -10.534 1.00 0.00 O ATOM 0 H ASP A 56 -11.113 -8.604 -8.045 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.614 -6.204 -8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.460 -9.053 -8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.597 -7.729 -8.125 1.00 0.00 H new ATOM 875 N PRO A 57 -13.478 -5.736 -6.513 1.00 0.00 N ATOM 876 CA PRO A 57 -13.610 -5.276 -5.100 1.00 0.00 C ATOM 877 C PRO A 57 -14.295 -6.345 -4.257 1.00 0.00 C ATOM 878 O PRO A 57 -14.246 -6.322 -3.025 1.00 0.00 O ATOM 879 CB PRO A 57 -14.454 -3.980 -5.177 1.00 0.00 C ATOM 880 CG PRO A 57 -14.777 -3.758 -6.634 1.00 0.00 C ATOM 881 CD PRO A 57 -14.445 -5.049 -7.386 1.00 0.00 C ATOM 0 HA PRO A 57 -12.645 -5.092 -4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.367 -4.077 -4.589 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.901 -3.133 -4.770 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.830 -3.503 -6.758 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.198 -2.924 -7.031 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.336 -5.656 -7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -14.018 -4.840 -8.367 1.00 0.00 H new ATOM 889 N ALA A 58 -14.936 -7.279 -4.947 1.00 0.00 N ATOM 890 CA ALA A 58 -15.637 -8.370 -4.289 1.00 0.00 C ATOM 891 C ALA A 58 -14.643 -9.327 -3.640 1.00 0.00 C ATOM 892 O ALA A 58 -14.851 -9.795 -2.520 1.00 0.00 O ATOM 893 CB ALA A 58 -16.472 -9.128 -5.323 1.00 0.00 C ATOM 0 H ALA A 58 -14.984 -7.301 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.285 -7.959 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.000 -9.947 -4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.195 -8.449 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.817 -9.528 -6.097 1.00 0.00 H new ATOM 899 N LYS A 59 -13.570 -9.618 -4.372 1.00 0.00 N ATOM 900 CA LYS A 59 -12.536 -10.535 -3.898 1.00 0.00 C ATOM 901 C LYS A 59 -11.515 -9.806 -3.017 1.00 0.00 C ATOM 902 O LYS A 59 -10.310 -9.880 -3.262 1.00 0.00 O ATOM 903 CB LYS A 59 -11.818 -11.149 -5.107 1.00 0.00 C ATOM 904 CG LYS A 59 -12.791 -12.041 -5.889 1.00 0.00 C ATOM 905 CD LYS A 59 -12.074 -12.645 -7.104 1.00 0.00 C ATOM 906 CE LYS A 59 -13.054 -13.511 -7.901 1.00 0.00 C ATOM 907 NZ LYS A 59 -12.362 -14.081 -9.094 1.00 0.00 N ATOM 0 H LYS A 59 -13.394 -9.230 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.009 -11.315 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.434 -10.360 -5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.961 -11.734 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.169 -12.835 -5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.652 -11.458 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.677 -11.851 -7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.225 -13.246 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.439 -14.314 -7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.910 -12.914 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.029 -14.669 -9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.015 -13.308 -9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.559 -14.665 -8.784 1.00 0.00 H new ATOM 921 N ARG A 60 -12.003 -9.094 -2.006 1.00 0.00 N ATOM 922 CA ARG A 60 -11.122 -8.344 -1.107 1.00 0.00 C ATOM 923 C ARG A 60 -10.216 -9.268 -0.290 1.00 0.00 C ATOM 924 O ARG A 60 -9.032 -8.987 -0.120 1.00 0.00 O ATOM 925 CB ARG A 60 -11.967 -7.484 -0.164 1.00 0.00 C ATOM 926 CG ARG A 60 -12.730 -8.386 0.808 1.00 0.00 C ATOM 927 CD ARG A 60 -13.775 -7.562 1.558 1.00 0.00 C ATOM 928 NE ARG A 60 -14.814 -7.121 0.637 1.00 0.00 N ATOM 929 CZ ARG A 60 -15.803 -6.331 1.041 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.534 -5.207 1.647 1.00 0.00 N ATOM 931 NH2 ARG A 60 -17.043 -6.677 0.830 1.00 0.00 N ATOM 0 H ARG A 60 -12.996 -9.018 -1.787 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.480 -7.711 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.327 -6.796 0.389 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.667 -6.877 -0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.214 -9.197 0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.038 -8.844 1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.215 -8.158 2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.302 -6.699 2.027 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.782 -7.424 -0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.565 -4.935 1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.293 -4.600 1.957 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.254 -7.554 0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.802 -6.070 1.140 1.00 0.00 H new ATOM 945 N ARG A 61 -10.771 -10.359 0.228 1.00 0.00 N ATOM 946 CA ARG A 61 -9.986 -11.283 1.044 1.00 0.00 C ATOM 947 C ARG A 61 -8.732 -11.709 0.299 1.00 0.00 C ATOM 948 O ARG A 61 -7.628 -11.694 0.846 1.00 0.00 O ATOM 949 CB ARG A 61 -10.811 -12.530 1.343 1.00 0.00 C ATOM 950 CG ARG A 61 -11.970 -12.179 2.273 1.00 0.00 C ATOM 951 CD ARG A 61 -12.881 -13.397 2.427 1.00 0.00 C ATOM 952 NE ARG A 61 -12.143 -14.505 3.022 1.00 0.00 N ATOM 953 CZ ARG A 61 -12.675 -15.719 3.103 1.00 0.00 C ATOM 954 NH1 ARG A 61 -12.972 -16.375 2.013 1.00 0.00 N ATOM 955 NH2 ARG A 61 -12.899 -16.259 4.269 1.00 0.00 N ATOM 0 H ARG A 61 -11.748 -10.624 0.101 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.711 -10.777 1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.194 -12.954 0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.181 -13.291 1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.589 -11.870 3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.533 -11.338 1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.737 -13.143 3.052 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.273 -13.692 1.454 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.202 -14.345 3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.795 -15.955 1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.381 -17.308 2.074 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.665 -15.749 5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.308 -17.192 4.329 1.00 0.00 H new ATOM 969 N HIS A 62 -8.918 -12.084 -0.953 1.00 0.00 N ATOM 970 CA HIS A 62 -7.819 -12.515 -1.791 1.00 0.00 C ATOM 971 C HIS A 62 -6.873 -11.354 -2.083 1.00 0.00 C ATOM 972 O HIS A 62 -5.663 -11.533 -2.164 1.00 0.00 O ATOM 973 CB HIS A 62 -8.376 -13.063 -3.100 1.00 0.00 C ATOM 974 CG HIS A 62 -9.063 -14.379 -2.848 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.418 -15.597 -3.008 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.342 -14.684 -2.450 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.302 -16.567 -2.711 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.492 -16.065 -2.364 1.00 0.00 N ATOM 0 H HIS A 62 -9.828 -12.098 -1.413 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.259 -13.291 -1.268 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.079 -12.352 -3.533 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.570 -13.195 -3.822 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.115 -13.961 -2.236 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -9.078 -17.623 -2.748 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.329 -16.582 -2.095 1.00 0.00 H new ATOM 986 N ASN A 63 -7.440 -10.163 -2.228 1.00 0.00 N ATOM 987 CA ASN A 63 -6.646 -8.967 -2.512 1.00 0.00 C ATOM 988 C ASN A 63 -5.675 -8.686 -1.376 1.00 0.00 C ATOM 989 O ASN A 63 -4.508 -8.370 -1.603 1.00 0.00 O ATOM 990 CB ASN A 63 -7.583 -7.768 -2.678 1.00 0.00 C ATOM 991 CG ASN A 63 -6.797 -6.509 -3.035 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.045 -5.988 -2.210 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.931 -5.984 -4.224 1.00 0.00 N ATOM 0 H ASN A 63 -8.444 -9.996 -2.155 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.078 -9.133 -3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.315 -7.978 -3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.139 -7.605 -1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.412 -5.141 -4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.554 -6.417 -4.905 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.157 -8.812 -0.151 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.292 -8.572 0.998 1.00 0.00 C ATOM 1002 C PHE A 64 -4.217 -9.655 1.071 1.00 0.00 C ATOM 1003 O PHE A 64 -3.025 -9.353 1.078 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.116 -8.542 2.290 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.841 -7.215 2.413 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.122 -6.054 2.729 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.225 -7.143 2.213 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.787 -4.825 2.838 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.888 -5.915 2.324 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.169 -4.756 2.636 1.00 0.00 C ATOM 0 H PHE A 64 -7.117 -9.072 0.074 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.807 -7.603 0.881 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.836 -9.360 2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.464 -8.690 3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.055 -6.106 2.889 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.782 -8.036 1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.232 -3.930 3.078 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.955 -5.862 2.169 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.681 -3.809 2.721 1.00 0.00 H new ATOM 1020 N THR A 65 -4.644 -10.915 1.103 1.00 0.00 N ATOM 1021 CA THR A 65 -3.693 -12.021 1.165 1.00 0.00 C ATOM 1022 C THR A 65 -2.705 -11.909 0.014 1.00 0.00 C ATOM 1023 O THR A 65 -1.504 -12.117 0.185 1.00 0.00 O ATOM 1024 CB THR A 65 -4.415 -13.366 1.065 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.515 -13.385 1.963 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.440 -14.491 1.420 1.00 0.00 C ATOM 0 H THR A 65 -5.625 -11.193 1.087 1.00 0.00 H new ATOM 0 HA THR A 65 -3.170 -11.968 2.120 1.00 0.00 H new ATOM 0 HB THR A 65 -4.781 -13.509 0.048 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.289 -12.958 1.541 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.951 -15.451 1.350 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.599 -14.476 0.727 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.074 -14.348 2.437 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.228 -11.586 -1.161 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.403 -11.452 -2.352 1.00 0.00 C ATOM 1036 C LEU A 66 -1.354 -10.365 -2.179 1.00 0.00 C ATOM 1037 O LEU A 66 -0.176 -10.579 -2.467 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.311 -11.099 -3.531 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.507 -10.889 -4.819 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.832 -12.200 -5.240 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.474 -10.439 -5.914 1.00 0.00 C ATOM 0 H LEU A 66 -4.221 -11.412 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.884 -12.394 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.039 -11.896 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.873 -10.194 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.734 -10.137 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.264 -12.039 -6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.159 -12.533 -4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.592 -12.961 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.925 -10.283 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.234 -11.206 -6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.954 -9.507 -5.615 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.779 -9.195 -1.720 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.847 -8.104 -1.541 1.00 0.00 C ATOM 1055 C ALA A 67 0.246 -8.504 -0.572 1.00 0.00 C ATOM 1056 O ALA A 67 1.408 -8.139 -0.746 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.569 -6.871 -1.007 1.00 0.00 C ATOM 0 H ALA A 67 -2.745 -8.985 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.404 -7.869 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.854 -6.058 -0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.341 -6.566 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.029 -7.106 -0.047 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.132 -9.261 0.448 1.00 0.00 N ATOM 1064 CA PHE A 68 0.829 -9.705 1.442 1.00 0.00 C ATOM 1065 C PHE A 68 1.628 -10.905 0.930 1.00 0.00 C ATOM 1066 O PHE A 68 2.857 -10.912 0.996 1.00 0.00 O ATOM 1067 CB PHE A 68 0.103 -10.060 2.747 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.576 -8.824 3.322 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.180 -7.686 3.647 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.963 -8.816 3.536 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.447 -6.551 4.173 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.588 -7.677 4.066 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.827 -6.544 4.383 1.00 0.00 C ATOM 0 H PHE A 68 -1.089 -9.577 0.607 1.00 0.00 H new ATOM 0 HA PHE A 68 1.530 -8.893 1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.638 -10.837 2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.813 -10.463 3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.249 -7.687 3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.551 -9.689 3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.139 -5.677 4.417 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.656 -7.674 4.230 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.308 -5.666 4.789 1.00 0.00 H new ATOM 1083 N SER A 69 0.935 -11.915 0.418 1.00 0.00 N ATOM 1084 CA SER A 69 1.613 -13.103 -0.097 1.00 0.00 C ATOM 1085 C SER A 69 2.522 -12.746 -1.270 1.00 0.00 C ATOM 1086 O SER A 69 3.567 -13.369 -1.473 1.00 0.00 O ATOM 1087 CB SER A 69 0.593 -14.151 -0.544 1.00 0.00 C ATOM 1088 OG SER A 69 -0.031 -14.719 0.600 1.00 0.00 O ATOM 0 H SER A 69 -0.082 -11.938 0.348 1.00 0.00 H new ATOM 0 HA SER A 69 2.222 -13.514 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.156 -13.694 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.086 -14.929 -1.127 1.00 0.00 H new ATOM 0 HG SER A 69 -0.686 -15.390 0.316 1.00 0.00 H new ATOM 1094 N THR A 70 2.144 -11.715 -2.020 1.00 0.00 N ATOM 1095 CA THR A 70 2.964 -11.275 -3.144 1.00 0.00 C ATOM 1096 C THR A 70 4.162 -10.471 -2.652 1.00 0.00 C ATOM 1097 O THR A 70 5.289 -10.680 -3.099 1.00 0.00 O ATOM 1098 CB THR A 70 2.144 -10.433 -4.125 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.114 -11.233 -4.684 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.060 -9.921 -5.239 1.00 0.00 C ATOM 0 H THR A 70 1.290 -11.176 -1.874 1.00 0.00 H new ATOM 0 HA THR A 70 3.321 -12.165 -3.663 1.00 0.00 H new ATOM 0 HB THR A 70 1.700 -9.586 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.318 -11.185 -4.115 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.480 -9.321 -5.940 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.852 -9.310 -4.807 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.501 -10.768 -5.765 1.00 0.00 H new ATOM 1108 N ALA A 71 3.906 -9.547 -1.729 1.00 0.00 N ATOM 1109 CA ALA A 71 4.967 -8.713 -1.185 1.00 0.00 C ATOM 1110 C ALA A 71 5.973 -9.551 -0.406 1.00 0.00 C ATOM 1111 O ALA A 71 7.169 -9.264 -0.421 1.00 0.00 O ATOM 1112 CB ALA A 71 4.382 -7.638 -0.266 1.00 0.00 C ATOM 0 H ALA A 71 2.979 -9.360 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 71 5.478 -8.236 -2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.188 -7.022 0.133 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.693 -7.011 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.848 -8.114 0.556 1.00 0.00 H new ATOM 1118 N GLU A 72 5.489 -10.586 0.273 1.00 0.00 N ATOM 1119 CA GLU A 72 6.376 -11.443 1.052 1.00 0.00 C ATOM 1120 C GLU A 72 7.250 -12.297 0.137 1.00 0.00 C ATOM 1121 O GLU A 72 8.464 -12.356 0.306 1.00 0.00 O ATOM 1122 CB GLU A 72 5.558 -12.352 1.971 1.00 0.00 C ATOM 1123 CG GLU A 72 6.501 -13.143 2.883 1.00 0.00 C ATOM 1124 CD GLU A 72 5.695 -14.011 3.846 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.850 -13.469 4.537 1.00 0.00 O ATOM 1126 OE2 GLU A 72 5.936 -15.207 3.877 1.00 0.00 O ATOM 0 H GLU A 72 4.504 -10.849 0.301 1.00 0.00 H new ATOM 0 HA GLU A 72 7.021 -10.803 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.871 -11.756 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.952 -13.036 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.160 -13.769 2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.136 -12.458 3.444 1.00 0.00 H new ATOM 1133 N LYS A 73 6.636 -12.962 -0.830 1.00 0.00 N ATOM 1134 CA LYS A 73 7.406 -13.807 -1.733 1.00 0.00 C ATOM 1135 C LYS A 73 8.415 -12.979 -2.528 1.00 0.00 C ATOM 1136 O LYS A 73 9.547 -13.411 -2.747 1.00 0.00 O ATOM 1137 CB LYS A 73 6.473 -14.551 -2.700 1.00 0.00 C ATOM 1138 CG LYS A 73 5.668 -15.615 -1.940 1.00 0.00 C ATOM 1139 CD LYS A 73 4.754 -16.367 -2.919 1.00 0.00 C ATOM 1140 CE LYS A 73 3.950 -17.434 -2.166 1.00 0.00 C ATOM 1141 NZ LYS A 73 3.088 -18.185 -3.126 1.00 0.00 N ATOM 0 H LYS A 73 5.632 -12.936 -1.009 1.00 0.00 H new ATOM 0 HA LYS A 73 7.949 -14.534 -1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.795 -13.845 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.056 -15.021 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.344 -16.314 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.072 -15.145 -1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.077 -15.667 -3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.351 -16.834 -3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.626 -18.120 -1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.334 -16.965 -1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.544 -18.908 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.433 -17.526 -3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.685 -18.645 -3.842 1.00 0.00 H new ATOM 1155 N LEU A 74 7.996 -11.796 -2.978 1.00 0.00 N ATOM 1156 CA LEU A 74 8.864 -10.931 -3.774 1.00 0.00 C ATOM 1157 C LEU A 74 9.745 -10.010 -2.922 1.00 0.00 C ATOM 1158 O LEU A 74 10.856 -9.678 -3.332 1.00 0.00 O ATOM 1159 CB LEU A 74 8.002 -10.075 -4.704 1.00 0.00 C ATOM 1160 CG LEU A 74 7.250 -10.968 -5.708 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.272 -10.106 -6.516 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.238 -11.649 -6.672 1.00 0.00 C ATOM 0 H LEU A 74 7.065 -11.417 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 74 9.532 -11.582 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.289 -9.494 -4.118 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.630 -9.363 -5.240 1.00 0.00 H new ATOM 0 HG LEU A 74 6.708 -11.737 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.737 -10.734 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.558 -9.635 -5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.825 -9.336 -7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.688 -12.276 -7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.792 -10.889 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.934 -12.266 -6.104 1.00 0.00 H new ATOM 1174 N ALA A 75 9.247 -9.565 -1.762 1.00 0.00 N ATOM 1175 CA ALA A 75 10.023 -8.640 -0.912 1.00 0.00 C ATOM 1176 C ALA A 75 10.190 -9.141 0.522 1.00 0.00 C ATOM 1177 O ALA A 75 10.831 -8.472 1.333 1.00 0.00 O ATOM 1178 CB ALA A 75 9.332 -7.273 -0.885 1.00 0.00 C ATOM 0 H ALA A 75 8.331 -9.820 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 75 11.019 -8.569 -1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.904 -6.589 -0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.274 -6.874 -1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.326 -7.382 -0.480 1.00 0.00 H new ATOM 1184 N ASP A 76 9.644 -10.309 0.847 1.00 0.00 N ATOM 1185 CA ASP A 76 9.795 -10.831 2.205 1.00 0.00 C ATOM 1186 C ASP A 76 9.495 -9.731 3.218 1.00 0.00 C ATOM 1187 O ASP A 76 10.151 -9.627 4.254 1.00 0.00 O ATOM 1188 CB ASP A 76 11.220 -11.347 2.392 1.00 0.00 C ATOM 1189 CG ASP A 76 11.453 -12.565 1.505 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.654 -13.485 1.572 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.425 -12.558 0.766 1.00 0.00 O ATOM 0 H ASP A 76 9.108 -10.899 0.211 1.00 0.00 H new ATOM 0 HA ASP A 76 9.094 -11.651 2.362 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.935 -10.563 2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.386 -11.610 3.437 1.00 0.00 H new ATOM 1196 N CYS A 77 8.513 -8.902 2.881 1.00 0.00 N ATOM 1197 CA CYS A 77 8.113 -7.776 3.722 1.00 0.00 C ATOM 1198 C CYS A 77 7.891 -8.181 5.182 1.00 0.00 C ATOM 1199 O CYS A 77 8.296 -9.256 5.622 1.00 0.00 O ATOM 1200 CB CYS A 77 6.828 -7.162 3.163 1.00 0.00 C ATOM 1201 SG CYS A 77 5.493 -8.383 3.236 1.00 0.00 S ATOM 0 H CYS A 77 7.972 -8.990 2.020 1.00 0.00 H new ATOM 0 HA CYS A 77 8.927 -7.051 3.708 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.556 -6.276 3.737 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.984 -6.840 2.134 1.00 0.00 H new ATOM 0 HG CYS A 77 5.120 -8.545 4.471 1.00 0.00 H new ATOM 1207 N ALA A 78 7.226 -7.291 5.918 1.00 0.00 N ATOM 1208 CA ALA A 78 6.923 -7.520 7.330 1.00 0.00 C ATOM 1209 C ALA A 78 5.581 -8.238 7.477 1.00 0.00 C ATOM 1210 O ALA A 78 4.852 -8.405 6.499 1.00 0.00 O ATOM 1211 CB ALA A 78 6.881 -6.180 8.072 1.00 0.00 C ATOM 0 H ALA A 78 6.885 -6.400 5.557 1.00 0.00 H new ATOM 0 HA ALA A 78 7.703 -8.148 7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.655 -6.354 9.124 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.849 -5.686 7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.109 -5.546 7.635 1.00 0.00 H new ATOM 1217 N GLN A 79 5.257 -8.660 8.703 1.00 0.00 N ATOM 1218 CA GLN A 79 4.006 -9.352 8.974 1.00 0.00 C ATOM 1219 C GLN A 79 3.263 -8.644 10.103 1.00 0.00 C ATOM 1220 O GLN A 79 3.138 -9.177 11.206 1.00 0.00 O ATOM 1221 CB GLN A 79 4.308 -10.794 9.382 1.00 0.00 C ATOM 1222 CG GLN A 79 3.005 -11.571 9.477 1.00 0.00 C ATOM 1223 CD GLN A 79 3.288 -13.055 9.684 1.00 0.00 C ATOM 1224 OE1 GLN A 79 4.108 -13.420 10.527 1.00 0.00 O ATOM 1225 NE2 GLN A 79 2.659 -13.938 8.958 1.00 0.00 N ATOM 0 H GLN A 79 5.850 -8.531 9.522 1.00 0.00 H new ATOM 0 HA GLN A 79 3.384 -9.348 8.079 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.970 -11.260 8.652 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.827 -10.812 10.341 1.00 0.00 H new ATOM 0 HG2 GLN A 79 2.405 -11.189 10.303 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.421 -11.428 8.567 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.980 -13.634 8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.846 -14.932 9.088 1.00 0.00 H new ATOM 1234 N LEU A 80 2.791 -7.426 9.834 1.00 0.00 N ATOM 1235 CA LEU A 80 2.079 -6.646 10.851 1.00 0.00 C ATOM 1236 C LEU A 80 0.566 -6.652 10.604 1.00 0.00 C ATOM 1237 O LEU A 80 -0.213 -6.401 11.523 1.00 0.00 O ATOM 1238 CB LEU A 80 2.565 -5.189 10.835 1.00 0.00 C ATOM 1239 CG LEU A 80 4.076 -5.119 10.605 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.508 -3.657 10.657 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.823 -5.898 11.685 1.00 0.00 C ATOM 0 H LEU A 80 2.886 -6.961 8.931 1.00 0.00 H new ATOM 0 HA LEU A 80 2.285 -7.107 11.817 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.048 -4.638 10.050 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.314 -4.708 11.780 1.00 0.00 H new ATOM 0 HG LEU A 80 4.310 -5.557 9.635 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.584 -3.589 10.495 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.988 -3.096 9.880 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.261 -3.239 11.633 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.896 -5.835 11.503 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.596 -5.473 12.663 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.511 -6.942 11.662 1.00 0.00 H new ATOM 1253 N LEU A 81 0.148 -6.913 9.359 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.291 -6.911 9.019 1.00 0.00 C ATOM 1255 C LEU A 81 -1.808 -8.310 8.693 1.00 0.00 C ATOM 1256 O LEU A 81 -1.146 -9.092 8.011 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.555 -6.024 7.797 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.847 -4.678 7.953 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.202 -3.762 6.773 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.275 -4.010 9.258 1.00 0.00 C ATOM 0 H LEU A 81 0.769 -7.126 8.578 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.811 -6.529 9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.205 -6.524 6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.627 -5.867 7.679 1.00 0.00 H new ATOM 0 HG LEU A 81 0.230 -4.848 7.971 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.694 -2.805 6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.884 -4.230 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.280 -3.601 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.766 -3.052 9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.353 -3.849 9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.012 -4.652 10.099 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.017 -8.598 9.178 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.669 -9.886 8.937 1.00 0.00 C ATOM 1274 C GLU A 82 -4.910 -9.695 8.074 1.00 0.00 C ATOM 1275 O GLU A 82 -5.766 -8.861 8.369 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.054 -10.525 10.269 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.782 -10.932 11.014 1.00 0.00 C ATOM 1278 CD GLU A 82 -2.092 -12.083 10.288 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -2.765 -12.771 9.537 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -0.902 -12.261 10.495 1.00 0.00 O ATOM 0 H GLU A 82 -3.567 -7.952 9.744 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.975 -10.542 8.411 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.633 -9.823 10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.686 -11.397 10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.106 -10.080 11.086 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.028 -11.231 12.033 1.00 0.00 H new ATOM 1287 N VAL A 83 -4.986 -10.470 7.001 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.103 -10.395 6.070 1.00 0.00 C ATOM 1289 C VAL A 83 -7.442 -10.375 6.800 1.00 0.00 C ATOM 1290 O VAL A 83 -8.274 -9.500 6.568 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.040 -11.626 5.158 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.293 -11.698 4.274 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.777 -11.550 4.291 1.00 0.00 C ATOM 0 H VAL A 83 -4.281 -11.164 6.753 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.027 -9.472 5.496 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.002 -12.528 5.769 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.235 -12.577 3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.180 -11.767 4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.355 -10.801 3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.729 -12.424 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.807 -10.646 3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.896 -11.526 4.933 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.647 -11.357 7.664 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.899 -11.465 8.403 1.00 0.00 C ATOM 1305 C ASP A 84 -9.214 -10.174 9.148 1.00 0.00 C ATOM 1306 O ASP A 84 -10.346 -9.691 9.115 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.802 -12.616 9.400 1.00 0.00 C ATOM 1308 CG ASP A 84 -10.172 -12.894 10.006 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -11.113 -12.214 9.631 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -10.261 -13.786 10.834 1.00 0.00 O ATOM 0 H ASP A 84 -6.967 -12.088 7.871 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.702 -11.653 7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.427 -13.510 8.901 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.090 -12.368 10.187 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.213 -9.614 9.815 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.411 -8.378 10.557 1.00 0.00 C ATOM 1317 C ASP A 85 -8.822 -7.259 9.610 1.00 0.00 C ATOM 1318 O ASP A 85 -9.719 -6.479 9.899 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.120 -7.991 11.273 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.880 -8.918 12.461 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.807 -9.611 12.844 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.771 -8.921 12.968 1.00 0.00 O ATOM 0 H ASP A 85 -7.266 -9.992 9.857 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.201 -8.532 11.292 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.280 -8.049 10.581 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.180 -6.958 11.615 1.00 0.00 H new ATOM 1327 N MET A 86 -8.160 -7.188 8.473 1.00 0.00 N ATOM 1328 CA MET A 86 -8.482 -6.157 7.497 1.00 0.00 C ATOM 1329 C MET A 86 -9.906 -6.342 6.995 1.00 0.00 C ATOM 1330 O MET A 86 -10.661 -5.381 6.839 1.00 0.00 O ATOM 1331 CB MET A 86 -7.534 -6.267 6.303 1.00 0.00 C ATOM 1332 CG MET A 86 -6.077 -6.035 6.746 1.00 0.00 C ATOM 1333 SD MET A 86 -5.157 -5.236 5.414 1.00 0.00 S ATOM 1334 CE MET A 86 -5.536 -3.533 5.883 1.00 0.00 C ATOM 0 H MET A 86 -7.407 -7.819 8.201 1.00 0.00 H new ATOM 0 HA MET A 86 -8.380 -5.182 7.973 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.629 -7.252 5.846 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.810 -5.535 5.544 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.053 -5.414 7.641 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.610 -6.985 7.005 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.431 -2.884 5.013 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.559 -3.477 6.256 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.847 -3.209 6.663 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.247 -7.591 6.730 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.565 -7.928 6.216 1.00 0.00 C ATOM 1346 C VAL A 87 -12.673 -7.537 7.188 1.00 0.00 C ATOM 1347 O VAL A 87 -13.627 -6.861 6.810 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.623 -9.441 5.978 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -13.063 -9.875 5.657 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.694 -9.820 4.815 1.00 0.00 C ATOM 0 H VAL A 87 -9.628 -8.391 6.862 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.722 -7.375 5.290 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.295 -9.953 6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.090 -10.952 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.715 -9.621 6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.407 -9.360 4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.739 -10.896 4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.012 -9.301 3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.671 -9.532 5.058 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.547 -7.966 8.437 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.555 -7.666 9.441 1.00 0.00 C ATOM 1362 C ARG A 88 -13.546 -6.185 9.810 1.00 0.00 C ATOM 1363 O ARG A 88 -14.597 -5.552 9.909 1.00 0.00 O ATOM 1364 CB ARG A 88 -13.280 -8.526 10.687 1.00 0.00 C ATOM 1365 CG ARG A 88 -12.101 -7.942 11.474 1.00 0.00 C ATOM 1366 CD ARG A 88 -11.622 -8.938 12.521 1.00 0.00 C ATOM 1367 NE ARG A 88 -12.674 -9.184 13.490 1.00 0.00 N ATOM 1368 CZ ARG A 88 -12.512 -10.070 14.461 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.394 -10.104 15.132 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -13.470 -10.908 14.741 1.00 0.00 N ATOM 0 H ARG A 88 -11.761 -8.520 8.776 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.540 -7.896 9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -14.168 -8.562 11.318 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.058 -9.551 10.390 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.285 -7.698 10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.402 -7.012 11.957 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.333 -9.873 12.040 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.736 -8.551 13.024 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.551 -8.667 13.422 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.645 -9.448 14.909 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.269 -10.786 15.880 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.342 -10.881 14.213 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.348 -11.591 15.488 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.354 -5.643 10.029 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.232 -4.248 10.408 1.00 0.00 C ATOM 1386 C LEU A 89 -12.970 -3.369 9.413 1.00 0.00 C ATOM 1387 O LEU A 89 -13.907 -2.657 9.771 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.745 -3.847 10.436 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.062 -4.381 11.713 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.538 -4.326 11.534 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.459 -3.524 12.933 1.00 0.00 C ATOM 0 H LEU A 89 -11.469 -6.145 9.951 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.668 -4.113 11.398 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.240 -4.242 9.555 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.655 -2.761 10.396 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.383 -5.409 11.881 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.052 -4.702 12.434 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.249 -4.941 10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.229 -3.295 11.359 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.969 -3.913 13.826 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.148 -2.492 12.769 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.540 -3.561 13.067 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.503 -3.395 8.174 1.00 0.00 N ATOM 1404 CA ALA A 90 -13.086 -2.560 7.138 1.00 0.00 C ATOM 1405 C ALA A 90 -12.750 -1.118 7.484 1.00 0.00 C ATOM 1406 O ALA A 90 -13.362 -0.170 6.993 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.607 -2.764 7.070 1.00 0.00 C ATOM 0 H ALA A 90 -11.728 -3.981 7.864 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.684 -2.823 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.025 -2.130 6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.824 -3.808 6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.053 -2.499 8.029 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.748 -0.994 8.353 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.261 0.296 8.824 1.00 0.00 C ATOM 1415 C VAL A 91 -9.841 0.140 9.379 1.00 0.00 C ATOM 1416 O VAL A 91 -9.606 0.397 10.557 1.00 0.00 O ATOM 1417 CB VAL A 91 -12.173 0.845 9.941 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.557 2.138 10.553 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.564 1.159 9.366 1.00 0.00 C ATOM 0 H VAL A 91 -11.251 -1.791 8.750 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.262 0.991 7.984 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.264 0.092 10.724 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.210 2.515 11.340 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.577 1.911 10.973 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.452 2.894 9.775 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.206 1.547 10.157 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.471 1.904 8.576 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.002 0.249 8.956 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.891 -0.286 8.578 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.487 -0.467 9.043 1.00 0.00 C ATOM 1431 C PRO A 92 -7.025 0.711 9.900 1.00 0.00 C ATOM 1432 O PRO A 92 -7.734 1.706 10.046 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.651 -0.591 7.746 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.623 -0.471 6.600 1.00 0.00 C ATOM 1435 CD PRO A 92 -9.036 -0.652 7.163 1.00 0.00 C ATOM 0 HA PRO A 92 -7.379 -1.345 9.680 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.893 0.191 7.696 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -6.126 -1.546 7.712 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.526 0.501 6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.414 -1.226 5.842 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.756 -0.011 6.654 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.386 -1.678 7.048 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.826 0.590 10.451 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.262 1.648 11.286 1.00 0.00 C ATOM 1445 C ASP A 93 -4.158 2.377 10.527 1.00 0.00 C ATOM 1446 O ASP A 93 -3.225 1.761 10.010 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.730 1.047 12.584 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.894 0.626 13.475 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -7.022 0.950 13.136 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.642 -0.015 14.482 1.00 0.00 O ATOM 0 H ASP A 93 -5.224 -0.226 10.337 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.038 2.372 11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.098 0.186 12.365 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.107 1.775 13.104 1.00 0.00 H new ATOM 1455 N SER A 94 -4.295 3.695 10.444 1.00 0.00 N ATOM 1456 CA SER A 94 -3.336 4.522 9.720 1.00 0.00 C ATOM 1457 C SER A 94 -1.914 4.265 10.194 1.00 0.00 C ATOM 1458 O SER A 94 -0.968 4.315 9.409 1.00 0.00 O ATOM 1459 CB SER A 94 -3.672 5.998 9.919 1.00 0.00 C ATOM 1460 OG SER A 94 -3.496 6.334 11.289 1.00 0.00 O ATOM 0 H SER A 94 -5.062 4.215 10.870 1.00 0.00 H new ATOM 0 HA SER A 94 -3.401 4.262 8.663 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.029 6.618 9.294 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.699 6.195 9.613 1.00 0.00 H new ATOM 0 HG SER A 94 -3.709 7.281 11.423 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.774 3.977 11.476 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.462 3.699 12.046 1.00 0.00 C ATOM 1468 C LYS A 95 0.084 2.378 11.516 1.00 0.00 C ATOM 1469 O LYS A 95 1.258 2.276 11.162 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.551 3.647 13.574 1.00 0.00 C ATOM 1471 CG LYS A 95 -1.816 2.897 13.996 1.00 0.00 C ATOM 1472 CD LYS A 95 -1.818 2.715 15.511 1.00 0.00 C ATOM 1473 CE LYS A 95 -3.030 1.875 15.924 1.00 0.00 C ATOM 1474 NZ LYS A 95 -4.284 2.628 15.638 1.00 0.00 N ATOM 0 H LYS A 95 -2.546 3.929 12.141 1.00 0.00 H new ATOM 0 HA LYS A 95 0.216 4.501 11.754 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.330 3.151 13.982 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.564 4.658 13.981 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.701 3.451 13.684 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.858 1.926 13.502 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.898 2.226 15.830 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.850 3.686 16.004 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.031 0.929 15.382 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.973 1.634 16.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.095 1.978 15.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.408 3.378 16.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.225 3.054 14.691 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.778 1.370 11.465 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.373 0.056 10.980 1.00 0.00 C ATOM 1490 C CYS A 96 0.060 0.140 9.526 1.00 0.00 C ATOM 1491 O CYS A 96 1.092 -0.414 9.140 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.530 -0.940 11.141 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.652 -0.866 9.714 1.00 0.00 S ATOM 0 H CYS A 96 -1.755 1.436 11.751 1.00 0.00 H new ATOM 0 HA CYS A 96 0.475 -0.293 11.570 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.134 -1.950 11.245 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -2.082 -0.718 12.054 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.262 0.282 9.701 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.731 0.850 8.729 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.421 1.022 7.322 1.00 0.00 C ATOM 1501 C VAL A 97 0.906 1.737 7.196 1.00 0.00 C ATOM 1502 O VAL A 97 1.772 1.342 6.416 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.505 1.864 6.644 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.124 2.107 5.185 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.844 1.130 6.717 1.00 0.00 C ATOM 0 H VAL A 97 -1.587 1.312 9.035 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.373 0.044 6.842 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.595 2.822 7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.896 2.706 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.172 2.637 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.031 1.151 4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.615 1.730 6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.761 0.169 6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.113 0.966 7.761 1.00 0.00 H new ATOM 1515 N TYR A 98 1.063 2.792 7.980 1.00 0.00 N ATOM 1516 CA TYR A 98 2.289 3.564 7.967 1.00 0.00 C ATOM 1517 C TYR A 98 3.464 2.686 8.362 1.00 0.00 C ATOM 1518 O TYR A 98 4.484 2.651 7.678 1.00 0.00 O ATOM 1519 CB TYR A 98 2.166 4.728 8.961 1.00 0.00 C ATOM 1520 CG TYR A 98 3.500 5.422 9.109 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.492 4.859 9.927 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.749 6.615 8.427 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.733 5.488 10.057 1.00 0.00 C ATOM 1524 CE2 TYR A 98 4.994 7.250 8.563 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.984 6.683 9.376 1.00 0.00 C ATOM 1526 OH TYR A 98 7.209 7.301 9.504 1.00 0.00 O ATOM 0 H TYR A 98 0.355 3.131 8.632 1.00 0.00 H new ATOM 0 HA TYR A 98 2.457 3.951 6.962 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.414 5.437 8.613 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.830 4.357 9.929 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.296 3.938 10.457 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.986 7.048 7.797 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.497 5.052 10.683 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.188 8.175 8.041 1.00 0.00 H new ATOM 0 HH TYR A 98 7.220 8.120 8.965 1.00 0.00 H new ATOM 1536 N THR A 99 3.313 1.987 9.480 1.00 0.00 N ATOM 1537 CA THR A 99 4.375 1.128 9.972 1.00 0.00 C ATOM 1538 C THR A 99 4.713 0.083 8.923 1.00 0.00 C ATOM 1539 O THR A 99 5.884 -0.197 8.667 1.00 0.00 O ATOM 1540 CB THR A 99 3.942 0.437 11.266 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.607 1.419 12.239 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.097 -0.417 11.795 1.00 0.00 C ATOM 0 H THR A 99 2.472 1.999 10.057 1.00 0.00 H new ATOM 0 HA THR A 99 5.255 1.737 10.176 1.00 0.00 H new ATOM 0 HB THR A 99 3.076 -0.194 11.068 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.690 1.730 12.088 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.792 -0.911 12.717 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.364 -1.169 11.052 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.959 0.220 11.993 1.00 0.00 H new ATOM 1550 N TYR A 100 3.684 -0.488 8.308 1.00 0.00 N ATOM 1551 CA TYR A 100 3.882 -1.496 7.278 1.00 0.00 C ATOM 1552 C TYR A 100 4.643 -0.900 6.099 1.00 0.00 C ATOM 1553 O TYR A 100 5.637 -1.455 5.630 1.00 0.00 O ATOM 1554 CB TYR A 100 2.521 -1.963 6.785 1.00 0.00 C ATOM 1555 CG TYR A 100 2.701 -3.136 5.861 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.928 -2.924 4.498 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.635 -4.436 6.367 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.087 -4.015 3.638 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.796 -5.529 5.510 1.00 0.00 C ATOM 1560 CZ TYR A 100 3.021 -5.317 4.143 1.00 0.00 C ATOM 1561 OH TYR A 100 3.182 -6.394 3.296 1.00 0.00 O ATOM 0 H TYR A 100 2.707 -0.270 8.505 1.00 0.00 H new ATOM 0 HA TYR A 100 4.451 -2.327 7.695 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.893 -2.244 7.630 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.012 -1.151 6.265 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.981 -1.918 4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.460 -4.597 7.420 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.261 -3.852 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.747 -6.535 5.901 1.00 0.00 H new ATOM 0 HH TYR A 100 3.931 -6.945 3.606 1.00 0.00 H new ATOM 1571 N ILE A 101 4.151 0.243 5.634 1.00 0.00 N ATOM 1572 CA ILE A 101 4.755 0.948 4.512 1.00 0.00 C ATOM 1573 C ILE A 101 6.176 1.342 4.891 1.00 0.00 C ATOM 1574 O ILE A 101 7.095 1.254 4.083 1.00 0.00 O ATOM 1575 CB ILE A 101 3.925 2.202 4.172 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.539 1.790 3.620 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.666 3.060 3.138 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.601 1.433 2.125 1.00 0.00 C ATOM 0 H ILE A 101 3.328 0.704 6.022 1.00 0.00 H new ATOM 0 HA ILE A 101 4.777 0.302 3.634 1.00 0.00 H new ATOM 0 HB ILE A 101 3.784 2.786 5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.164 0.935 4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.831 2.605 3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.071 3.943 2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.629 3.368 3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.824 2.479 2.229 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.608 1.149 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.951 2.296 1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.288 0.600 1.978 1.00 0.00 H new ATOM 1590 N GLN A 102 6.334 1.779 6.137 1.00 0.00 N ATOM 1591 CA GLN A 102 7.640 2.188 6.640 1.00 0.00 C ATOM 1592 C GLN A 102 8.669 1.092 6.427 1.00 0.00 C ATOM 1593 O GLN A 102 9.686 1.302 5.778 1.00 0.00 O ATOM 1594 CB GLN A 102 7.547 2.464 8.139 1.00 0.00 C ATOM 1595 CG GLN A 102 8.800 3.216 8.597 1.00 0.00 C ATOM 1596 CD GLN A 102 8.731 3.485 10.096 1.00 0.00 C ATOM 1597 OE1 GLN A 102 8.199 2.668 10.849 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.251 4.579 10.578 1.00 0.00 N ATOM 0 H GLN A 102 5.576 1.859 6.815 1.00 0.00 H new ATOM 0 HA GLN A 102 7.944 3.084 6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.656 3.053 8.357 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.451 1.527 8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.690 2.631 8.365 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.887 4.157 8.054 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.691 5.254 9.952 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.218 4.760 11.581 1.00 0.00 H new ATOM 1607 N GLU A 103 8.398 -0.076 6.997 1.00 0.00 N ATOM 1608 CA GLU A 103 9.321 -1.196 6.875 1.00 0.00 C ATOM 1609 C GLU A 103 9.533 -1.539 5.401 1.00 0.00 C ATOM 1610 O GLU A 103 10.650 -1.806 4.948 1.00 0.00 O ATOM 1611 CB GLU A 103 8.763 -2.403 7.628 1.00 0.00 C ATOM 1612 CG GLU A 103 8.855 -2.165 9.138 1.00 0.00 C ATOM 1613 CD GLU A 103 10.315 -2.162 9.583 1.00 0.00 C ATOM 1614 OE1 GLU A 103 11.025 -3.087 9.224 1.00 0.00 O ATOM 1615 OE2 GLU A 103 10.701 -1.238 10.280 1.00 0.00 O ATOM 0 H GLU A 103 7.558 -0.271 7.541 1.00 0.00 H new ATOM 0 HA GLU A 103 10.283 -0.922 7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.725 -2.574 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.320 -3.300 7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.388 -1.214 9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.307 -2.942 9.670 1.00 0.00 H new ATOM 1622 N LEU A 104 8.446 -1.542 4.660 1.00 0.00 N ATOM 1623 CA LEU A 104 8.488 -1.846 3.243 1.00 0.00 C ATOM 1624 C LEU A 104 9.232 -0.765 2.478 1.00 0.00 C ATOM 1625 O LEU A 104 9.977 -1.048 1.549 1.00 0.00 O ATOM 1626 CB LEU A 104 7.060 -1.913 2.731 1.00 0.00 C ATOM 1627 CG LEU A 104 7.012 -2.453 1.293 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.286 -3.965 1.272 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.623 -2.174 0.709 1.00 0.00 C ATOM 0 H LEU A 104 7.513 -1.336 5.018 1.00 0.00 H new ATOM 0 HA LEU A 104 9.006 -2.794 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.466 -2.554 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.611 -0.920 2.765 1.00 0.00 H new ATOM 0 HG LEU A 104 7.779 -1.957 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.247 -4.328 0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.274 -4.162 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.532 -4.480 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.575 -2.552 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.866 -2.671 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.438 -1.100 0.707 1.00 0.00 H new ATOM 1641 N TYR A 105 9.004 0.480 2.868 1.00 0.00 N ATOM 1642 CA TYR A 105 9.629 1.613 2.202 1.00 0.00 C ATOM 1643 C TYR A 105 11.135 1.479 2.209 1.00 0.00 C ATOM 1644 O TYR A 105 11.802 1.615 1.180 1.00 0.00 O ATOM 1645 CB TYR A 105 9.253 2.888 2.965 1.00 0.00 C ATOM 1646 CG TYR A 105 9.996 4.074 2.401 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.499 4.741 1.279 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.187 4.501 3.005 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.188 5.839 0.757 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.879 5.602 2.482 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.377 6.271 1.357 1.00 0.00 C ATOM 1652 OH TYR A 105 12.055 7.355 0.839 1.00 0.00 O ATOM 0 H TYR A 105 8.390 0.732 3.643 1.00 0.00 H new ATOM 0 HA TYR A 105 9.283 1.651 1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.178 3.057 2.897 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.491 2.771 4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.582 4.408 0.815 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.570 3.983 3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.803 6.355 -0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.797 5.934 2.945 1.00 0.00 H new ATOM 0 HH TYR A 105 12.859 7.524 1.373 1.00 0.00 H new ATOM 1662 N ARG A 106 11.654 1.242 3.387 1.00 0.00 N ATOM 1663 CA ARG A 106 13.091 1.121 3.560 1.00 0.00 C ATOM 1664 C ARG A 106 13.632 -0.077 2.795 1.00 0.00 C ATOM 1665 O ARG A 106 14.726 -0.014 2.243 1.00 0.00 O ATOM 1666 CB ARG A 106 13.427 1.022 5.042 1.00 0.00 C ATOM 1667 CG ARG A 106 12.666 -0.145 5.645 1.00 0.00 C ATOM 1668 CD ARG A 106 13.118 -0.384 7.077 1.00 0.00 C ATOM 1669 NE ARG A 106 14.500 -0.828 7.085 1.00 0.00 N ATOM 1670 CZ ARG A 106 15.104 -1.140 8.219 1.00 0.00 C ATOM 1671 NH1 ARG A 106 15.416 -0.203 9.067 1.00 0.00 N ATOM 1672 NH2 ARG A 106 15.374 -2.387 8.490 1.00 0.00 N ATOM 0 H ARG A 106 11.110 1.128 4.242 1.00 0.00 H new ATOM 0 HA ARG A 106 13.569 2.012 3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 106 14.500 0.882 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.161 1.948 5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.596 0.060 5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.831 -1.043 5.049 1.00 0.00 H new ATOM 0 HD2 ARG A 106 13.017 0.532 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.482 -1.133 7.549 1.00 0.00 H new ATOM 0 HE ARG A 106 15.011 -0.900 6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.194 0.770 8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.882 -0.442 9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.119 -3.120 7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.840 -2.630 9.364 1.00 0.00 H new ATOM 1686 N SER A 107 12.862 -1.163 2.747 1.00 0.00 N ATOM 1687 CA SER A 107 13.301 -2.350 2.020 1.00 0.00 C ATOM 1688 C SER A 107 13.497 -2.003 0.543 1.00 0.00 C ATOM 1689 O SER A 107 14.422 -2.492 -0.111 1.00 0.00 O ATOM 1690 CB SER A 107 12.273 -3.477 2.165 1.00 0.00 C ATOM 1691 OG SER A 107 12.012 -3.702 3.546 1.00 0.00 O ATOM 0 H SER A 107 11.949 -1.245 3.194 1.00 0.00 H new ATOM 0 HA SER A 107 14.248 -2.692 2.438 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.351 -3.212 1.647 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.648 -4.389 1.701 1.00 0.00 H new ATOM 0 HG SER A 107 11.438 -2.986 3.891 1.00 0.00 H new ATOM 1697 N LEU A 108 12.616 -1.155 0.025 1.00 0.00 N ATOM 1698 CA LEU A 108 12.695 -0.733 -1.371 1.00 0.00 C ATOM 1699 C LEU A 108 13.922 0.147 -1.599 1.00 0.00 C ATOM 1700 O LEU A 108 14.555 0.084 -2.652 1.00 0.00 O ATOM 1701 CB LEU A 108 11.461 0.081 -1.758 1.00 0.00 C ATOM 1702 CG LEU A 108 10.188 -0.765 -1.642 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.961 0.150 -1.723 1.00 0.00 C ATOM 1704 CD2 LEU A 108 10.117 -1.794 -2.773 1.00 0.00 C ATOM 0 H LEU A 108 11.841 -0.747 0.547 1.00 0.00 H new ATOM 0 HA LEU A 108 12.759 -1.635 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.381 0.956 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.567 0.447 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 108 10.206 -1.290 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.054 -0.449 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.993 0.874 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.962 0.677 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.206 -2.384 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.111 -1.279 -3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.984 -2.453 -2.720 1.00 0.00 H new ATOM 1716 N VAL A 109 14.228 0.999 -0.618 1.00 0.00 N ATOM 1717 CA VAL A 109 15.355 1.913 -0.743 1.00 0.00 C ATOM 1718 C VAL A 109 16.666 1.146 -0.865 1.00 0.00 C ATOM 1719 O VAL A 109 17.472 1.423 -1.753 1.00 0.00 O ATOM 1720 CB VAL A 109 15.393 2.847 0.470 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.703 3.639 0.478 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.213 3.820 0.390 1.00 0.00 C ATOM 0 H VAL A 109 13.715 1.072 0.261 1.00 0.00 H new ATOM 0 HA VAL A 109 15.228 2.505 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 109 15.327 2.256 1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.723 4.301 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.545 2.949 0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.775 4.232 -0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.234 4.488 1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.286 4.406 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.278 3.259 0.388 1.00 0.00 H new ATOM 1732 N GLN A 110 16.870 0.175 0.018 1.00 0.00 N ATOM 1733 CA GLN A 110 18.089 -0.619 -0.034 1.00 0.00 C ATOM 1734 C GLN A 110 18.150 -1.357 -1.361 1.00 0.00 C ATOM 1735 O GLN A 110 19.187 -1.381 -2.023 1.00 0.00 O ATOM 1736 CB GLN A 110 18.138 -1.620 1.129 1.00 0.00 C ATOM 1737 CG GLN A 110 16.819 -2.386 1.213 1.00 0.00 C ATOM 1738 CD GLN A 110 16.818 -3.328 2.414 1.00 0.00 C ATOM 1739 OE1 GLN A 110 17.211 -2.939 3.514 1.00 0.00 O ATOM 1740 NE2 GLN A 110 16.387 -4.554 2.265 1.00 0.00 N ATOM 0 H GLN A 110 16.221 -0.077 0.764 1.00 0.00 H new ATOM 0 HA GLN A 110 18.948 0.046 0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.964 -2.316 0.986 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.323 -1.094 2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.989 -1.684 1.295 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.665 -2.956 0.297 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.062 -4.873 1.352 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.376 -5.191 3.062 1.00 0.00 H new ATOM 1749 N LYS A 111 17.025 -1.948 -1.751 1.00 0.00 N ATOM 1750 CA LYS A 111 16.950 -2.678 -3.003 1.00 0.00 C ATOM 1751 C LYS A 111 17.263 -1.749 -4.176 1.00 0.00 C ATOM 1752 O LYS A 111 17.693 -2.200 -5.236 1.00 0.00 O ATOM 1753 CB LYS A 111 15.547 -3.291 -3.173 1.00 0.00 C ATOM 1754 CG LYS A 111 15.396 -4.530 -2.276 1.00 0.00 C ATOM 1755 CD LYS A 111 14.002 -5.144 -2.468 1.00 0.00 C ATOM 1756 CE LYS A 111 13.882 -6.438 -1.658 1.00 0.00 C ATOM 1757 NZ LYS A 111 14.033 -6.136 -0.207 1.00 0.00 N ATOM 0 H LYS A 111 16.156 -1.933 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 111 17.687 -3.481 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.787 -2.553 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.386 -3.566 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 111 16.164 -5.264 -2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.541 -4.254 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.237 -4.435 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.829 -5.349 -3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.915 -6.907 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.646 -7.148 -1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.483 -6.821 0.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.036 -6.201 0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.685 -5.175 -0.014 1.00 0.00 H new ATOM 1771 N GLY A 112 17.030 -0.450 -3.979 1.00 0.00 N ATOM 1772 CA GLY A 112 17.274 0.534 -5.036 1.00 0.00 C ATOM 1773 C GLY A 112 16.048 0.632 -5.928 1.00 0.00 C ATOM 1774 O GLY A 112 16.101 1.160 -7.040 1.00 0.00 O ATOM 0 H GLY A 112 16.676 -0.057 -3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.497 1.507 -4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.144 0.243 -5.625 1.00 0.00 H new ATOM 1778 N LEU A 113 14.939 0.122 -5.407 1.00 0.00 N ATOM 1779 CA LEU A 113 13.664 0.144 -6.112 1.00 0.00 C ATOM 1780 C LEU A 113 13.067 1.555 -6.123 1.00 0.00 C ATOM 1781 O LEU A 113 12.587 2.034 -7.151 1.00 0.00 O ATOM 1782 CB LEU A 113 12.705 -0.827 -5.408 1.00 0.00 C ATOM 1783 CG LEU A 113 12.982 -2.273 -5.863 1.00 0.00 C ATOM 1784 CD1 LEU A 113 12.317 -3.246 -4.882 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.429 -2.506 -7.296 1.00 0.00 C ATOM 0 H LEU A 113 14.898 -0.317 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 113 13.818 -0.159 -7.148 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.825 -0.749 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.673 -0.558 -5.634 1.00 0.00 H new ATOM 0 HG LEU A 113 14.058 -2.444 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.510 -4.271 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.726 -3.092 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.242 -3.068 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.633 -3.532 -7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.353 -2.332 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.913 -1.818 -7.989 1.00 0.00 H new ATOM 1797 N VAL A 114 13.089 2.200 -4.961 1.00 0.00 N ATOM 1798 CA VAL A 114 12.536 3.549 -4.824 1.00 0.00 C ATOM 1799 C VAL A 114 13.341 4.558 -5.645 1.00 0.00 C ATOM 1800 O VAL A 114 12.775 5.473 -6.242 1.00 0.00 O ATOM 1801 CB VAL A 114 12.455 3.941 -3.323 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.569 5.461 -3.140 1.00 0.00 C ATOM 1803 CG2 VAL A 114 11.110 3.466 -2.733 1.00 0.00 C ATOM 0 H VAL A 114 13.481 1.815 -4.102 1.00 0.00 H new ATOM 0 HA VAL A 114 11.522 3.560 -5.224 1.00 0.00 H new ATOM 0 HB VAL A 114 13.285 3.462 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.509 5.705 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.524 5.805 -3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.755 5.954 -3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.057 3.743 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.289 3.937 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.033 2.383 -2.828 1.00 0.00 H new