USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 672 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 8 ASN : amide:sc= 0.586 K(o=1.4,f=-4.7!) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -164:sc= 0.783 (180deg=0) USER MOD Set 2.1: A 2 GLN : amide:sc= 1.81 K(o=3.1,f=-3.6!) USER MOD Set 2.2: A 14 THR OG1 : rot -75:sc= 0.146 USER MOD Set 2.3: A 77 LYS NZ :NH3+ 160:sc= 0.817 (180deg=0) USER MOD Set 2.4: A 79 THR OG1 : rot 160:sc= 0.37 USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 74 HIS : no HE2:sc= 0.201 K(o=0.2,f=-1.6) USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= 0.549 USER MOD Set 4.2: A 57 GLN : amide:sc= 0.244 K(o=0.79,f=-0.09) USER MOD Set 5.1: A 3 THR OG1 : rot 180:sc= 0.125 USER MOD Set 5.2: A 82 LYS NZ :NH3+ 173:sc= 1.54 (180deg=1.26) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.877 K(o=0.88,f=-0.069) USER MOD Single : A 9 GLN : amide:sc= 0.912 K(o=0.91,f=-0.38) USER MOD Single : A 15 ASN : amide:sc= 0.628 K(o=0.63,f=-0.41) USER MOD Single : A 20 THR OG1 : rot 95:sc= 1.02 USER MOD Single : A 21 ASN : amide:sc= 0.471 K(o=0.47,f=-3.7!) USER MOD Single : A 23 MET CE :methyl 174:sc= 0 (180deg=-0.0634) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 79:sc= 1.21 USER MOD Single : A 27 MET CE :methyl 179:sc=-0.00517 (180deg=-0.00636) USER MOD Single : A 30 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.27) USER MOD Single : A 31 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -131:sc= 1.23 (180deg=0.508) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 45 HIS : no HE2:sc= 0.487 K(o=0.49,f=-2.6!) USER MOD Single : A 53 THR OG1 : rot 79:sc= 0.0224 USER MOD Single : A 58 SER OG : rot 149:sc= 1.25 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 2.5 (180deg=2.43) USER MOD Single : A 66 GLN : amide:sc= 0.706 K(o=0.71,f=-0.18) USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= 1.22 (180deg=0.756) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0498 USER MOD Single : A 76 MET CE :methyl 179:sc= -0.232 (180deg=-0.238) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.703 -7.478 -1.147 1.00 0.00 N ATOM 2 CA ALA A 1 4.520 -6.010 -1.167 1.00 0.00 C ATOM 3 C ALA A 1 5.683 -5.333 -0.438 1.00 0.00 C ATOM 4 O ALA A 1 6.029 -5.722 0.681 1.00 0.00 O ATOM 5 CB ALA A 1 3.172 -5.591 -0.554 1.00 0.00 C ATOM 0 H1 ALA A 1 3.911 -7.933 -1.643 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.595 -7.723 -1.621 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.732 -7.811 -0.162 1.00 0.00 H new ATOM 0 HA ALA A 1 4.511 -5.685 -2.207 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.078 -4.506 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.358 -6.044 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.123 -5.926 0.482 1.00 0.00 H new ATOM 13 N GLN A 2 6.302 -4.327 -1.070 1.00 0.00 N ATOM 14 CA GLN A 2 7.402 -3.562 -0.483 1.00 0.00 C ATOM 15 C GLN A 2 6.954 -2.912 0.834 1.00 0.00 C ATOM 16 O GLN A 2 5.916 -2.251 0.897 1.00 0.00 O ATOM 17 CB GLN A 2 7.972 -2.557 -1.500 1.00 0.00 C ATOM 18 CG GLN A 2 6.974 -1.507 -2.013 1.00 0.00 C ATOM 19 CD GLN A 2 7.454 -0.881 -3.318 1.00 0.00 C ATOM 20 OE1 GLN A 2 6.911 -1.187 -4.376 1.00 0.00 O ATOM 21 NE2 GLN A 2 8.463 -0.026 -3.299 1.00 0.00 N ATOM 0 H GLN A 2 6.049 -4.022 -2.010 1.00 0.00 H new ATOM 0 HA GLN A 2 8.222 -4.236 -0.234 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.815 -2.040 -1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.363 -3.111 -2.354 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.000 -1.972 -2.166 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.841 -0.729 -1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.906 0.220 -2.414 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.798 0.387 -4.169 1.00 0.00 H new ATOM 30 N THR A 3 7.728 -3.148 1.889 1.00 0.00 N ATOM 31 CA THR A 3 7.478 -2.676 3.243 1.00 0.00 C ATOM 32 C THR A 3 7.856 -1.194 3.380 1.00 0.00 C ATOM 33 O THR A 3 8.533 -0.628 2.517 1.00 0.00 O ATOM 34 CB THR A 3 8.293 -3.581 4.192 1.00 0.00 C ATOM 35 OG1 THR A 3 9.590 -3.812 3.655 1.00 0.00 O ATOM 36 CG2 THR A 3 7.614 -4.943 4.363 1.00 0.00 C ATOM 0 H THR A 3 8.584 -3.698 1.818 1.00 0.00 H new ATOM 0 HA THR A 3 6.420 -2.737 3.496 1.00 0.00 H new ATOM 0 HB THR A 3 8.358 -3.072 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.099 -4.385 4.265 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.207 -5.563 5.036 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.618 -4.803 4.782 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.534 -5.434 3.393 1.00 0.00 H new ATOM 44 N GLU A 4 7.508 -0.583 4.512 1.00 0.00 N ATOM 45 CA GLU A 4 7.951 0.746 4.924 1.00 0.00 C ATOM 46 C GLU A 4 8.481 0.634 6.354 1.00 0.00 C ATOM 47 O GLU A 4 8.297 -0.391 7.017 1.00 0.00 O ATOM 48 CB GLU A 4 6.788 1.753 4.822 1.00 0.00 C ATOM 49 CG GLU A 4 6.700 2.417 3.442 1.00 0.00 C ATOM 50 CD GLU A 4 7.735 3.544 3.273 1.00 0.00 C ATOM 51 OE1 GLU A 4 8.943 3.252 3.100 1.00 0.00 O ATOM 52 OE2 GLU A 4 7.329 4.729 3.317 1.00 0.00 O ATOM 0 H GLU A 4 6.886 -1.018 5.193 1.00 0.00 H new ATOM 0 HA GLU A 4 8.742 1.114 4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.850 1.241 5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.911 2.523 5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.854 1.665 2.668 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.698 2.821 3.298 1.00 0.00 H new ATOM 59 N GLN A 5 9.169 1.676 6.819 1.00 0.00 N ATOM 60 CA GLN A 5 9.837 1.760 8.113 1.00 0.00 C ATOM 61 C GLN A 5 9.807 3.228 8.575 1.00 0.00 C ATOM 62 O GLN A 5 9.511 4.112 7.765 1.00 0.00 O ATOM 63 CB GLN A 5 11.306 1.302 7.952 1.00 0.00 C ATOM 64 CG GLN A 5 11.513 -0.212 7.822 1.00 0.00 C ATOM 65 CD GLN A 5 11.074 -0.993 9.063 1.00 0.00 C ATOM 66 OE1 GLN A 5 11.823 -1.140 10.026 1.00 0.00 O ATOM 67 NE2 GLN A 5 9.861 -1.518 9.066 1.00 0.00 N ATOM 0 H GLN A 5 9.280 2.530 6.272 1.00 0.00 H new ATOM 0 HA GLN A 5 9.337 1.125 8.844 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.725 1.786 7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.876 1.657 8.811 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.957 -0.575 6.958 1.00 0.00 H new ATOM 0 HG3 GLN A 5 12.567 -0.412 7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.248 -1.390 8.261 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.538 -2.051 9.873 1.00 0.00 H new ATOM 76 N PRO A 6 10.159 3.517 9.842 1.00 0.00 N ATOM 77 CA PRO A 6 10.713 4.815 10.222 1.00 0.00 C ATOM 78 C PRO A 6 11.883 5.219 9.296 1.00 0.00 C ATOM 79 O PRO A 6 12.459 4.350 8.633 1.00 0.00 O ATOM 80 CB PRO A 6 11.180 4.655 11.675 1.00 0.00 C ATOM 81 CG PRO A 6 10.356 3.480 12.200 1.00 0.00 C ATOM 82 CD PRO A 6 10.204 2.595 10.965 1.00 0.00 C ATOM 0 HA PRO A 6 9.972 5.609 10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 6 12.249 4.449 11.730 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.999 5.560 12.255 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.865 2.959 13.011 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.390 3.804 12.587 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.039 1.901 10.872 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.296 1.995 11.019 1.00 0.00 H new ATOM 90 N PRO A 7 12.270 6.508 9.255 1.00 0.00 N ATOM 91 CA PRO A 7 13.346 6.990 8.401 1.00 0.00 C ATOM 92 C PRO A 7 14.627 6.156 8.460 1.00 0.00 C ATOM 93 O PRO A 7 15.042 5.703 9.531 1.00 0.00 O ATOM 94 CB PRO A 7 13.608 8.432 8.826 1.00 0.00 C ATOM 95 CG PRO A 7 12.239 8.892 9.319 1.00 0.00 C ATOM 96 CD PRO A 7 11.662 7.628 9.962 1.00 0.00 C ATOM 0 HA PRO A 7 13.035 6.911 7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.362 8.492 9.611 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.964 9.041 7.995 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.322 9.708 10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.614 9.250 8.500 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.894 7.590 11.026 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.576 7.604 9.871 1.00 0.00 H new ATOM 104 N ASN A 8 15.285 6.019 7.306 1.00 0.00 N ATOM 105 CA ASN A 8 16.569 5.349 7.167 1.00 0.00 C ATOM 106 C ASN A 8 17.411 6.102 6.139 1.00 0.00 C ATOM 107 O ASN A 8 16.881 6.776 5.256 1.00 0.00 O ATOM 108 CB ASN A 8 16.379 3.879 6.750 1.00 0.00 C ATOM 109 CG ASN A 8 17.723 3.177 6.616 1.00 0.00 C ATOM 110 OD1 ASN A 8 18.621 3.359 7.436 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.935 2.441 5.544 1.00 0.00 N ATOM 0 H ASN A 8 14.926 6.382 6.423 1.00 0.00 H new ATOM 0 HA ASN A 8 17.084 5.350 8.128 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.766 3.363 7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.843 3.832 5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.850 2.017 5.389 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.184 2.295 4.869 1.00 0.00 H new ATOM 118 N GLN A 9 18.730 5.978 6.269 1.00 0.00 N ATOM 119 CA GLN A 9 19.767 6.628 5.473 1.00 0.00 C ATOM 120 C GLN A 9 19.740 6.240 3.984 1.00 0.00 C ATOM 121 O GLN A 9 20.280 6.954 3.134 1.00 0.00 O ATOM 122 CB GLN A 9 21.096 6.212 6.126 1.00 0.00 C ATOM 123 CG GLN A 9 22.257 7.003 5.545 1.00 0.00 C ATOM 124 CD GLN A 9 23.600 6.761 6.233 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.756 5.940 7.135 1.00 0.00 O ATOM 126 NE2 GLN A 9 24.606 7.493 5.796 1.00 0.00 N ATOM 0 H GLN A 9 19.131 5.375 6.988 1.00 0.00 H new ATOM 0 HA GLN A 9 19.615 7.707 5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 9 21.043 6.374 7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 9 21.264 5.146 5.972 1.00 0.00 H new ATOM 0 HG2 GLN A 9 22.355 6.755 4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 9 22.020 8.065 5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 9 24.457 8.169 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 9 25.533 7.383 6.207 1.00 0.00 H new ATOM 135 N ILE A 10 19.159 5.084 3.675 1.00 0.00 N ATOM 136 CA ILE A 10 19.169 4.464 2.358 1.00 0.00 C ATOM 137 C ILE A 10 17.710 4.196 1.976 1.00 0.00 C ATOM 138 O ILE A 10 16.870 3.875 2.824 1.00 0.00 O ATOM 139 CB ILE A 10 20.063 3.194 2.376 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.509 3.529 2.820 1.00 0.00 C ATOM 141 CG2 ILE A 10 20.099 2.488 1.004 1.00 0.00 C ATOM 142 CD1 ILE A 10 22.426 2.311 2.984 1.00 0.00 C ATOM 0 H ILE A 10 18.648 4.533 4.365 1.00 0.00 H new ATOM 0 HA ILE A 10 19.607 5.110 1.597 1.00 0.00 H new ATOM 0 HB ILE A 10 19.614 2.514 3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.952 4.205 2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 10 21.469 4.067 3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.736 1.606 1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.090 2.188 0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.497 3.171 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 10 23.417 2.641 3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 10 22.011 1.642 3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.503 1.783 2.034 1.00 0.00 H new ATOM 154 N LEU A 11 17.421 4.317 0.683 1.00 0.00 N ATOM 155 CA LEU A 11 16.105 4.218 0.074 1.00 0.00 C ATOM 156 C LEU A 11 16.172 3.141 -1.001 1.00 0.00 C ATOM 157 O LEU A 11 17.204 3.008 -1.666 1.00 0.00 O ATOM 158 CB LEU A 11 15.731 5.555 -0.595 1.00 0.00 C ATOM 159 CG LEU A 11 15.728 6.795 0.318 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.425 8.040 -0.523 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.711 6.643 1.454 1.00 0.00 C ATOM 0 H LEU A 11 18.149 4.498 -0.008 1.00 0.00 H new ATOM 0 HA LEU A 11 15.361 3.977 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.427 5.735 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.740 5.452 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 11 16.711 6.900 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.422 8.921 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.189 8.154 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.448 7.931 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.731 7.534 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.713 6.518 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.964 5.769 2.055 1.00 0.00 H new ATOM 173 N PHE A 12 15.066 2.429 -1.205 1.00 0.00 N ATOM 174 CA PHE A 12 14.857 1.506 -2.312 1.00 0.00 C ATOM 175 C PHE A 12 13.798 2.126 -3.211 1.00 0.00 C ATOM 176 O PHE A 12 12.812 2.682 -2.721 1.00 0.00 O ATOM 177 CB PHE A 12 14.378 0.144 -1.796 1.00 0.00 C ATOM 178 CG PHE A 12 14.038 -0.835 -2.910 1.00 0.00 C ATOM 179 CD1 PHE A 12 15.041 -1.266 -3.799 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.716 -1.291 -3.089 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.741 -2.169 -4.832 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.417 -2.206 -4.115 1.00 0.00 C ATOM 183 CZ PHE A 12 13.429 -2.649 -4.985 1.00 0.00 C ATOM 0 H PHE A 12 14.262 2.483 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 12 15.787 1.341 -2.856 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.152 -0.290 -1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.499 0.290 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 12 16.050 -0.899 -3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.931 -0.937 -2.437 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.518 -2.494 -5.508 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.407 -2.569 -4.235 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.199 -3.356 -5.768 1.00 0.00 H new ATOM 193 N LEU A 13 14.000 2.050 -4.520 1.00 0.00 N ATOM 194 CA LEU A 13 13.200 2.742 -5.513 1.00 0.00 C ATOM 195 C LEU A 13 12.746 1.743 -6.563 1.00 0.00 C ATOM 196 O LEU A 13 13.456 0.783 -6.863 1.00 0.00 O ATOM 197 CB LEU A 13 14.017 3.858 -6.176 1.00 0.00 C ATOM 198 CG LEU A 13 14.009 5.193 -5.417 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.909 5.178 -4.175 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.483 6.294 -6.364 1.00 0.00 C ATOM 0 H LEU A 13 14.747 1.488 -4.928 1.00 0.00 H new ATOM 0 HA LEU A 13 12.333 3.191 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.048 3.521 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.631 4.024 -7.182 1.00 0.00 H new ATOM 0 HG LEU A 13 12.990 5.372 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.862 6.148 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.568 4.403 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.937 4.972 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.483 7.250 -5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.493 6.069 -6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.812 6.350 -7.221 1.00 0.00 H new ATOM 212 N THR A 14 11.573 2.007 -7.128 1.00 0.00 N ATOM 213 CA THR A 14 10.814 1.120 -7.999 1.00 0.00 C ATOM 214 C THR A 14 10.037 1.926 -9.052 1.00 0.00 C ATOM 215 O THR A 14 9.958 3.158 -8.980 1.00 0.00 O ATOM 216 CB THR A 14 9.853 0.274 -7.129 1.00 0.00 C ATOM 217 OG1 THR A 14 9.519 0.900 -5.894 1.00 0.00 O ATOM 218 CG2 THR A 14 10.440 -1.091 -6.802 1.00 0.00 C ATOM 0 H THR A 14 11.100 2.898 -6.981 1.00 0.00 H new ATOM 0 HA THR A 14 11.496 0.459 -8.534 1.00 0.00 H new ATOM 0 HB THR A 14 8.953 0.170 -7.735 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.279 0.835 -5.278 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.735 -1.653 -6.190 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.633 -1.635 -7.727 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.374 -0.964 -6.255 1.00 0.00 H new ATOM 226 N ASN A 15 9.427 1.217 -10.012 1.00 0.00 N ATOM 227 CA ASN A 15 8.625 1.744 -11.125 1.00 0.00 C ATOM 228 C ASN A 15 9.391 2.728 -12.027 1.00 0.00 C ATOM 229 O ASN A 15 8.793 3.485 -12.795 1.00 0.00 O ATOM 230 CB ASN A 15 7.297 2.326 -10.602 1.00 0.00 C ATOM 231 CG ASN A 15 6.289 2.575 -11.725 1.00 0.00 C ATOM 232 OD1 ASN A 15 5.980 1.679 -12.506 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.732 3.771 -11.816 1.00 0.00 N ATOM 0 H ASN A 15 9.484 0.199 -10.034 1.00 0.00 H new ATOM 0 HA ASN A 15 8.393 0.902 -11.778 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.864 1.640 -9.874 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.494 3.262 -10.080 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.038 3.957 -12.540 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.996 4.508 -11.162 1.00 0.00 H new ATOM 240 N LEU A 16 10.720 2.741 -11.932 1.00 0.00 N ATOM 241 CA LEU A 16 11.590 3.668 -12.649 1.00 0.00 C ATOM 242 C LEU A 16 11.542 3.363 -14.157 1.00 0.00 C ATOM 243 O LEU A 16 11.158 2.249 -14.531 1.00 0.00 O ATOM 244 CB LEU A 16 13.029 3.568 -12.104 1.00 0.00 C ATOM 245 CG LEU A 16 13.179 3.549 -10.572 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.651 3.374 -10.207 1.00 0.00 C ATOM 247 CD2 LEU A 16 12.628 4.820 -9.918 1.00 0.00 C ATOM 0 H LEU A 16 11.233 2.089 -11.338 1.00 0.00 H new ATOM 0 HA LEU A 16 11.242 4.689 -12.495 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.484 2.661 -12.503 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.601 4.410 -12.493 1.00 0.00 H new ATOM 0 HG LEU A 16 12.595 2.711 -10.193 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.758 3.361 -9.122 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.019 2.435 -10.620 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.229 4.202 -10.618 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.757 4.758 -8.837 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.166 5.688 -10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.568 4.919 -10.152 1.00 0.00 H new ATOM 259 N PRO A 17 11.924 4.313 -15.030 1.00 0.00 N ATOM 260 CA PRO A 17 12.065 4.063 -16.458 1.00 0.00 C ATOM 261 C PRO A 17 12.913 2.818 -16.751 1.00 0.00 C ATOM 262 O PRO A 17 13.900 2.539 -16.064 1.00 0.00 O ATOM 263 CB PRO A 17 12.714 5.314 -17.055 1.00 0.00 C ATOM 264 CG PRO A 17 12.488 6.414 -16.028 1.00 0.00 C ATOM 265 CD PRO A 17 12.197 5.704 -14.711 1.00 0.00 C ATOM 0 HA PRO A 17 11.089 3.866 -16.901 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.777 5.157 -17.235 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.263 5.572 -18.013 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.366 7.053 -15.941 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.655 7.054 -16.319 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.047 5.785 -14.033 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.344 6.159 -14.208 1.00 0.00 H new ATOM 273 N GLU A 18 12.617 2.136 -17.858 1.00 0.00 N ATOM 274 CA GLU A 18 13.461 1.061 -18.387 1.00 0.00 C ATOM 275 C GLU A 18 14.832 1.572 -18.862 1.00 0.00 C ATOM 276 O GLU A 18 15.718 0.778 -19.183 1.00 0.00 O ATOM 277 CB GLU A 18 12.710 0.312 -19.503 1.00 0.00 C ATOM 278 CG GLU A 18 12.374 1.194 -20.717 1.00 0.00 C ATOM 279 CD GLU A 18 11.647 0.390 -21.810 1.00 0.00 C ATOM 280 OE1 GLU A 18 12.317 -0.186 -22.697 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.396 0.336 -21.806 1.00 0.00 O ATOM 0 H GLU A 18 11.782 2.314 -18.416 1.00 0.00 H new ATOM 0 HA GLU A 18 13.669 0.363 -17.576 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.315 -0.532 -19.834 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.786 -0.099 -19.096 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.749 2.029 -20.400 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.291 1.619 -21.125 1.00 0.00 H new ATOM 288 N GLU A 19 15.017 2.895 -18.883 1.00 0.00 N ATOM 289 CA GLU A 19 16.175 3.599 -19.386 1.00 0.00 C ATOM 290 C GLU A 19 16.878 4.420 -18.290 1.00 0.00 C ATOM 291 O GLU A 19 17.744 5.238 -18.602 1.00 0.00 O ATOM 292 CB GLU A 19 15.747 4.451 -20.599 1.00 0.00 C ATOM 293 CG GLU A 19 14.761 5.581 -20.256 1.00 0.00 C ATOM 294 CD GLU A 19 14.397 6.403 -21.505 1.00 0.00 C ATOM 295 OE1 GLU A 19 15.116 7.375 -21.833 1.00 0.00 O ATOM 296 OE2 GLU A 19 13.384 6.093 -22.171 1.00 0.00 O ATOM 0 H GLU A 19 14.309 3.535 -18.523 1.00 0.00 H new ATOM 0 HA GLU A 19 16.924 2.878 -19.716 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.636 4.885 -21.056 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.291 3.799 -21.344 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.856 5.157 -19.820 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.201 6.235 -19.503 1.00 0.00 H new ATOM 303 N THR A 20 16.503 4.238 -17.016 1.00 0.00 N ATOM 304 CA THR A 20 17.093 4.966 -15.896 1.00 0.00 C ATOM 305 C THR A 20 18.594 4.682 -15.845 1.00 0.00 C ATOM 306 O THR A 20 19.044 3.567 -16.131 1.00 0.00 O ATOM 307 CB THR A 20 16.405 4.589 -14.574 1.00 0.00 C ATOM 308 OG1 THR A 20 15.015 4.567 -14.749 1.00 0.00 O ATOM 309 CG2 THR A 20 16.651 5.623 -13.468 1.00 0.00 C ATOM 0 H THR A 20 15.778 3.577 -16.738 1.00 0.00 H new ATOM 0 HA THR A 20 16.943 6.036 -16.041 1.00 0.00 H new ATOM 0 HB THR A 20 16.817 3.620 -14.291 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.725 3.653 -14.951 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.143 5.308 -12.556 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.721 5.705 -13.278 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.264 6.592 -13.783 1.00 0.00 H new ATOM 317 N ASN A 21 19.365 5.689 -15.441 1.00 0.00 N ATOM 318 CA ASN A 21 20.801 5.599 -15.258 1.00 0.00 C ATOM 319 C ASN A 21 21.139 6.313 -13.954 1.00 0.00 C ATOM 320 O ASN A 21 20.388 7.192 -13.524 1.00 0.00 O ATOM 321 CB ASN A 21 21.517 6.247 -16.457 1.00 0.00 C ATOM 322 CG ASN A 21 23.031 6.242 -16.280 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.609 7.215 -15.808 1.00 0.00 O ATOM 324 ND2 ASN A 21 23.693 5.142 -16.590 1.00 0.00 N ATOM 0 H ASN A 21 18.992 6.614 -15.227 1.00 0.00 H new ATOM 0 HA ASN A 21 21.132 4.562 -15.204 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.256 5.711 -17.370 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.168 7.273 -16.578 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.700 5.093 -16.438 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.197 4.342 -16.982 1.00 0.00 H new ATOM 331 N GLU A 22 22.268 5.961 -13.339 1.00 0.00 N ATOM 332 CA GLU A 22 22.759 6.545 -12.093 1.00 0.00 C ATOM 333 C GLU A 22 22.752 8.074 -12.143 1.00 0.00 C ATOM 334 O GLU A 22 22.367 8.723 -11.170 1.00 0.00 O ATOM 335 CB GLU A 22 24.165 5.976 -11.837 1.00 0.00 C ATOM 336 CG GLU A 22 24.687 6.243 -10.421 1.00 0.00 C ATOM 337 CD GLU A 22 26.138 5.753 -10.257 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.377 4.524 -10.236 1.00 0.00 O ATOM 339 OE2 GLU A 22 27.059 6.596 -10.153 1.00 0.00 O ATOM 0 H GLU A 22 22.886 5.238 -13.707 1.00 0.00 H new ATOM 0 HA GLU A 22 22.100 6.281 -11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.150 4.900 -12.013 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.859 6.407 -12.558 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.635 7.311 -10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.047 5.741 -9.695 1.00 0.00 H new ATOM 346 N MET A 23 23.112 8.650 -13.291 1.00 0.00 N ATOM 347 CA MET A 23 23.173 10.093 -13.490 1.00 0.00 C ATOM 348 C MET A 23 21.801 10.754 -13.328 1.00 0.00 C ATOM 349 O MET A 23 21.731 11.866 -12.809 1.00 0.00 O ATOM 350 CB MET A 23 23.764 10.381 -14.878 1.00 0.00 C ATOM 351 CG MET A 23 24.095 11.866 -15.075 1.00 0.00 C ATOM 352 SD MET A 23 24.858 12.284 -16.670 1.00 0.00 S ATOM 353 CE MET A 23 23.478 11.964 -17.805 1.00 0.00 C ATOM 0 H MET A 23 23.373 8.116 -14.120 1.00 0.00 H new ATOM 0 HA MET A 23 23.815 10.524 -12.722 1.00 0.00 H new ATOM 0 HB2 MET A 23 24.669 9.788 -15.015 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.056 10.064 -15.644 1.00 0.00 H new ATOM 0 HG2 MET A 23 23.177 12.444 -14.967 1.00 0.00 H new ATOM 0 HG3 MET A 23 24.766 12.181 -14.276 1.00 0.00 H new ATOM 0 HE1 MET A 23 23.755 12.276 -18.812 1.00 0.00 H new ATOM 0 HE2 MET A 23 23.247 10.899 -17.806 1.00 0.00 H new ATOM 0 HE3 MET A 23 22.602 12.525 -17.480 1.00 0.00 H new ATOM 363 N MET A 24 20.718 10.087 -13.745 1.00 0.00 N ATOM 364 CA MET A 24 19.365 10.644 -13.675 1.00 0.00 C ATOM 365 C MET A 24 18.982 10.862 -12.219 1.00 0.00 C ATOM 366 O MET A 24 18.625 11.964 -11.801 1.00 0.00 O ATOM 367 CB MET A 24 18.323 9.726 -14.348 1.00 0.00 C ATOM 368 CG MET A 24 18.597 9.529 -15.834 1.00 0.00 C ATOM 369 SD MET A 24 17.269 8.652 -16.701 1.00 0.00 S ATOM 370 CE MET A 24 18.008 8.535 -18.352 1.00 0.00 C ATOM 0 H MET A 24 20.757 9.147 -14.140 1.00 0.00 H new ATOM 0 HA MET A 24 19.369 11.591 -14.214 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.321 8.756 -13.850 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.329 10.153 -14.218 1.00 0.00 H new ATOM 0 HG2 MET A 24 18.744 10.503 -16.301 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.527 8.974 -15.954 1.00 0.00 H new ATOM 0 HE1 MET A 24 17.321 8.018 -19.022 1.00 0.00 H new ATOM 0 HE2 MET A 24 18.204 9.537 -18.735 1.00 0.00 H new ATOM 0 HE3 MET A 24 18.944 7.979 -18.293 1.00 0.00 H new ATOM 380 N LEU A 25 19.094 9.801 -11.425 1.00 0.00 N ATOM 381 CA LEU A 25 18.685 9.884 -10.033 1.00 0.00 C ATOM 382 C LEU A 25 19.669 10.748 -9.259 1.00 0.00 C ATOM 383 O LEU A 25 19.247 11.450 -8.346 1.00 0.00 O ATOM 384 CB LEU A 25 18.571 8.501 -9.393 1.00 0.00 C ATOM 385 CG LEU A 25 17.610 7.536 -10.107 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.412 6.312 -9.214 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.267 8.198 -10.441 1.00 0.00 C ATOM 0 H LEU A 25 19.457 8.893 -11.716 1.00 0.00 H new ATOM 0 HA LEU A 25 17.696 10.341 -9.998 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.562 8.048 -9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.243 8.620 -8.360 1.00 0.00 H new ATOM 0 HG LEU A 25 18.046 7.240 -11.061 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.733 5.612 -9.701 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.373 5.826 -9.044 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.989 6.623 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.622 7.478 -10.944 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.788 8.534 -9.521 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.436 9.053 -11.095 1.00 0.00 H new ATOM 399 N SER A 26 20.952 10.750 -9.636 1.00 0.00 N ATOM 400 CA SER A 26 21.921 11.638 -9.020 1.00 0.00 C ATOM 401 C SER A 26 21.504 13.088 -9.239 1.00 0.00 C ATOM 402 O SER A 26 21.385 13.824 -8.265 1.00 0.00 O ATOM 403 CB SER A 26 23.335 11.366 -9.543 1.00 0.00 C ATOM 404 OG SER A 26 23.709 10.026 -9.286 1.00 0.00 O ATOM 0 H SER A 26 21.334 10.146 -10.363 1.00 0.00 H new ATOM 0 HA SER A 26 21.942 11.447 -7.947 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.377 11.562 -10.614 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.042 12.045 -9.067 1.00 0.00 H new ATOM 0 HG SER A 26 23.292 9.437 -9.949 1.00 0.00 H new ATOM 410 N MET A 27 21.210 13.506 -10.474 1.00 0.00 N ATOM 411 CA MET A 27 20.825 14.895 -10.719 1.00 0.00 C ATOM 412 C MET A 27 19.491 15.239 -10.044 1.00 0.00 C ATOM 413 O MET A 27 19.315 16.384 -9.626 1.00 0.00 O ATOM 414 CB MET A 27 20.851 15.263 -12.215 1.00 0.00 C ATOM 415 CG MET A 27 19.744 14.631 -13.068 1.00 0.00 C ATOM 416 SD MET A 27 19.672 15.200 -14.789 1.00 0.00 S ATOM 417 CE MET A 27 21.127 14.358 -15.470 1.00 0.00 C ATOM 0 H MET A 27 21.231 12.914 -11.304 1.00 0.00 H new ATOM 0 HA MET A 27 21.584 15.522 -10.251 1.00 0.00 H new ATOM 0 HB2 MET A 27 20.782 16.347 -12.306 1.00 0.00 H new ATOM 0 HB3 MET A 27 21.816 14.969 -12.627 1.00 0.00 H new ATOM 0 HG2 MET A 27 19.879 13.549 -13.065 1.00 0.00 H new ATOM 0 HG3 MET A 27 18.783 14.834 -12.595 1.00 0.00 H new ATOM 0 HE1 MET A 27 21.218 14.589 -16.531 1.00 0.00 H new ATOM 0 HE2 MET A 27 22.021 14.697 -14.947 1.00 0.00 H new ATOM 0 HE3 MET A 27 21.018 13.281 -15.341 1.00 0.00 H new ATOM 427 N LEU A 28 18.566 14.277 -9.900 1.00 0.00 N ATOM 428 CA LEU A 28 17.300 14.523 -9.211 1.00 0.00 C ATOM 429 C LEU A 28 17.511 14.691 -7.708 1.00 0.00 C ATOM 430 O LEU A 28 17.127 15.719 -7.149 1.00 0.00 O ATOM 431 CB LEU A 28 16.278 13.407 -9.495 1.00 0.00 C ATOM 432 CG LEU A 28 15.713 13.417 -10.929 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.798 12.202 -11.129 1.00 0.00 C ATOM 434 CD2 LEU A 28 14.929 14.697 -11.247 1.00 0.00 C ATOM 0 H LEU A 28 18.675 13.326 -10.252 1.00 0.00 H new ATOM 0 HA LEU A 28 16.895 15.456 -9.603 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.750 12.442 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.452 13.499 -8.790 1.00 0.00 H new ATOM 0 HG LEU A 28 16.564 13.376 -11.609 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.399 12.210 -12.143 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.369 11.287 -10.971 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.975 12.245 -10.415 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.554 14.650 -12.269 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.090 14.791 -10.557 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.585 15.561 -11.141 1.00 0.00 H new ATOM 446 N PHE A 29 18.104 13.705 -7.043 1.00 0.00 N ATOM 447 CA PHE A 29 18.205 13.712 -5.586 1.00 0.00 C ATOM 448 C PHE A 29 19.315 14.642 -5.077 1.00 0.00 C ATOM 449 O PHE A 29 19.196 15.157 -3.967 1.00 0.00 O ATOM 450 CB PHE A 29 18.417 12.289 -5.056 1.00 0.00 C ATOM 451 CG PHE A 29 17.175 11.419 -5.018 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.728 10.737 -6.165 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.475 11.266 -3.805 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.589 9.920 -6.098 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.331 10.455 -3.737 1.00 0.00 C ATOM 456 CZ PHE A 29 14.886 9.788 -4.888 1.00 0.00 C ATOM 0 H PHE A 29 18.523 12.889 -7.490 1.00 0.00 H new ATOM 0 HA PHE A 29 17.261 14.102 -5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.167 11.796 -5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.827 12.352 -4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.262 10.842 -7.098 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.822 11.777 -2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.252 9.392 -6.978 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.797 10.345 -2.805 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.001 9.171 -4.844 1.00 0.00 H new ATOM 466 N ASN A 30 20.378 14.910 -5.846 1.00 0.00 N ATOM 467 CA ASN A 30 21.477 15.775 -5.394 1.00 0.00 C ATOM 468 C ASN A 30 21.035 17.233 -5.182 1.00 0.00 C ATOM 469 O ASN A 30 21.772 18.025 -4.597 1.00 0.00 O ATOM 470 CB ASN A 30 22.681 15.694 -6.341 1.00 0.00 C ATOM 471 CG ASN A 30 23.885 16.485 -5.833 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.375 16.261 -4.730 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.405 17.410 -6.626 1.00 0.00 N ATOM 0 H ASN A 30 20.501 14.539 -6.788 1.00 0.00 H new ATOM 0 HA ASN A 30 21.787 15.396 -4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 30 22.966 14.650 -6.471 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.392 16.070 -7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.220 17.943 -6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.991 17.589 -7.541 1.00 0.00 H new ATOM 480 N GLN A 31 19.827 17.601 -5.630 1.00 0.00 N ATOM 481 CA GLN A 31 19.210 18.882 -5.311 1.00 0.00 C ATOM 482 C GLN A 31 19.098 19.085 -3.791 1.00 0.00 C ATOM 483 O GLN A 31 19.182 20.222 -3.324 1.00 0.00 O ATOM 484 CB GLN A 31 17.812 18.971 -5.946 1.00 0.00 C ATOM 485 CG GLN A 31 17.845 18.986 -7.482 1.00 0.00 C ATOM 486 CD GLN A 31 16.434 19.076 -8.064 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.002 20.123 -8.542 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.677 17.991 -8.023 1.00 0.00 N ATOM 0 H GLN A 31 19.251 17.009 -6.228 1.00 0.00 H new ATOM 0 HA GLN A 31 19.847 19.668 -5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.213 18.125 -5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.315 19.874 -5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.438 19.832 -7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.335 18.083 -7.847 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.045 17.127 -7.624 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.726 18.019 -8.390 1.00 0.00 H new ATOM 497 N PHE A 32 18.902 18.009 -3.019 1.00 0.00 N ATOM 498 CA PHE A 32 18.763 18.091 -1.569 1.00 0.00 C ATOM 499 C PHE A 32 20.163 18.112 -0.935 1.00 0.00 C ATOM 500 O PHE A 32 21.020 17.332 -1.360 1.00 0.00 O ATOM 501 CB PHE A 32 17.935 16.902 -1.058 1.00 0.00 C ATOM 502 CG PHE A 32 16.625 16.708 -1.809 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.628 17.703 -1.789 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.434 15.558 -2.596 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.468 17.556 -2.572 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.278 15.408 -3.374 1.00 0.00 C ATOM 507 CZ PHE A 32 14.301 16.414 -3.375 1.00 0.00 C ATOM 0 H PHE A 32 18.836 17.060 -3.387 1.00 0.00 H new ATOM 0 HA PHE A 32 18.240 19.006 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.530 15.993 -1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.720 17.047 0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.754 18.580 -1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.186 14.783 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.706 18.321 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.140 14.519 -3.972 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.421 16.312 -3.992 1.00 0.00 H new ATOM 517 N PRO A 33 20.412 18.938 0.100 1.00 0.00 N ATOM 518 CA PRO A 33 21.734 19.152 0.702 1.00 0.00 C ATOM 519 C PRO A 33 22.184 17.988 1.613 1.00 0.00 C ATOM 520 O PRO A 33 22.814 18.200 2.654 1.00 0.00 O ATOM 521 CB PRO A 33 21.610 20.500 1.430 1.00 0.00 C ATOM 522 CG PRO A 33 20.153 20.515 1.882 1.00 0.00 C ATOM 523 CD PRO A 33 19.441 19.840 0.713 1.00 0.00 C ATOM 0 HA PRO A 33 22.525 19.177 -0.047 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.295 20.566 2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 33 21.836 21.337 0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.011 19.969 2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 33 19.790 21.529 2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.565 19.290 1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.090 20.580 -0.007 1.00 0.00 H new ATOM 531 N GLY A 34 21.856 16.748 1.241 1.00 0.00 N ATOM 532 CA GLY A 34 22.171 15.547 2.000 1.00 0.00 C ATOM 533 C GLY A 34 22.401 14.315 1.136 1.00 0.00 C ATOM 534 O GLY A 34 22.742 13.276 1.695 1.00 0.00 O ATOM 0 H GLY A 34 21.349 16.552 0.378 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.063 15.731 2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.357 15.344 2.695 1.00 0.00 H new ATOM 538 N PHE A 35 22.221 14.389 -0.186 1.00 0.00 N ATOM 539 CA PHE A 35 22.497 13.300 -1.101 1.00 0.00 C ATOM 540 C PHE A 35 23.927 12.802 -0.924 1.00 0.00 C ATOM 541 O PHE A 35 24.834 13.580 -0.608 1.00 0.00 O ATOM 542 CB PHE A 35 22.302 13.839 -2.513 1.00 0.00 C ATOM 543 CG PHE A 35 22.718 12.904 -3.630 1.00 0.00 C ATOM 544 CD1 PHE A 35 21.784 12.002 -4.160 1.00 0.00 C ATOM 545 CD2 PHE A 35 24.028 12.942 -4.150 1.00 0.00 C ATOM 546 CE1 PHE A 35 22.130 11.185 -5.242 1.00 0.00 C ATOM 547 CE2 PHE A 35 24.390 12.087 -5.205 1.00 0.00 C ATOM 548 CZ PHE A 35 23.432 11.229 -5.765 1.00 0.00 C ATOM 0 H PHE A 35 21.872 15.228 -0.650 1.00 0.00 H new ATOM 0 HA PHE A 35 21.829 12.461 -0.908 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.250 14.090 -2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.866 14.767 -2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 35 20.795 11.938 -3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 35 24.753 13.628 -3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 35 21.396 10.521 -5.674 1.00 0.00 H new ATOM 0 HE2 PHE A 35 25.402 12.091 -5.583 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.697 10.600 -6.602 1.00 0.00 H new ATOM 558 N LYS A 36 24.127 11.513 -1.196 1.00 0.00 N ATOM 559 CA LYS A 36 25.443 10.894 -1.106 1.00 0.00 C ATOM 560 C LYS A 36 25.724 9.936 -2.261 1.00 0.00 C ATOM 561 O LYS A 36 26.821 10.023 -2.816 1.00 0.00 O ATOM 562 CB LYS A 36 25.596 10.230 0.275 1.00 0.00 C ATOM 563 CG LYS A 36 27.026 10.404 0.812 1.00 0.00 C ATOM 564 CD LYS A 36 27.195 9.920 2.262 1.00 0.00 C ATOM 565 CE LYS A 36 26.917 8.423 2.449 1.00 0.00 C ATOM 566 NZ LYS A 36 27.909 7.567 1.751 1.00 0.00 N ATOM 0 H LYS A 36 23.385 10.875 -1.483 1.00 0.00 H new ATOM 0 HA LYS A 36 26.202 11.670 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 36 24.885 10.669 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 36 25.358 9.169 0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 36 27.717 9.856 0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 36 27.303 11.457 0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 36 28.211 10.136 2.591 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.524 10.488 2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 36 26.923 8.186 3.513 1.00 0.00 H new ATOM 0 HE3 LYS A 36 25.919 8.193 2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 27.412 6.844 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 28.490 8.154 1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 28.521 7.102 2.452 1.00 0.00 H new ATOM 580 N GLU A 37 24.797 9.053 -2.657 1.00 0.00 N ATOM 581 CA GLU A 37 25.067 8.089 -3.731 1.00 0.00 C ATOM 582 C GLU A 37 23.774 7.507 -4.331 1.00 0.00 C ATOM 583 O GLU A 37 22.700 7.618 -3.738 1.00 0.00 O ATOM 584 CB GLU A 37 25.967 6.957 -3.177 1.00 0.00 C ATOM 585 CG GLU A 37 26.911 6.369 -4.236 1.00 0.00 C ATOM 586 CD GLU A 37 27.874 5.334 -3.625 1.00 0.00 C ATOM 587 OE1 GLU A 37 27.495 4.149 -3.480 1.00 0.00 O ATOM 588 OE2 GLU A 37 29.032 5.689 -3.307 1.00 0.00 O ATOM 0 H GLU A 37 23.862 8.987 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 37 25.578 8.612 -4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.557 7.343 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.337 6.162 -2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.325 5.900 -5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.485 7.172 -4.699 1.00 0.00 H new ATOM 595 N VAL A 38 23.900 6.831 -5.479 1.00 0.00 N ATOM 596 CA VAL A 38 22.869 6.049 -6.169 1.00 0.00 C ATOM 597 C VAL A 38 23.489 4.713 -6.606 1.00 0.00 C ATOM 598 O VAL A 38 24.689 4.645 -6.886 1.00 0.00 O ATOM 599 CB VAL A 38 22.368 6.836 -7.406 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.394 6.054 -8.302 1.00 0.00 C ATOM 601 CG2 VAL A 38 21.680 8.139 -7.000 1.00 0.00 C ATOM 0 H VAL A 38 24.786 6.815 -5.984 1.00 0.00 H new ATOM 0 HA VAL A 38 22.023 5.864 -5.507 1.00 0.00 H new ATOM 0 HB VAL A 38 23.274 7.032 -7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 38 21.093 6.678 -9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 38 21.884 5.154 -8.674 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.513 5.774 -7.724 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.341 8.665 -7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.824 7.915 -6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.384 8.767 -6.454 1.00 0.00 H new ATOM 611 N ARG A 39 22.664 3.666 -6.729 1.00 0.00 N ATOM 612 CA ARG A 39 23.021 2.384 -7.332 1.00 0.00 C ATOM 613 C ARG A 39 21.802 1.875 -8.098 1.00 0.00 C ATOM 614 O ARG A 39 20.803 1.504 -7.481 1.00 0.00 O ATOM 615 CB ARG A 39 23.476 1.413 -6.222 1.00 0.00 C ATOM 616 CG ARG A 39 23.835 -0.011 -6.682 1.00 0.00 C ATOM 617 CD ARG A 39 24.903 -0.048 -7.786 1.00 0.00 C ATOM 618 NE ARG A 39 25.630 -1.332 -7.806 1.00 0.00 N ATOM 619 CZ ARG A 39 25.189 -2.510 -8.264 1.00 0.00 C ATOM 620 NH1 ARG A 39 23.994 -2.627 -8.839 1.00 0.00 N ATOM 621 NH2 ARG A 39 25.957 -3.587 -8.135 1.00 0.00 N ATOM 0 H ARG A 39 21.699 3.693 -6.400 1.00 0.00 H new ATOM 0 HA ARG A 39 23.851 2.478 -8.032 1.00 0.00 H new ATOM 0 HB2 ARG A 39 24.345 1.843 -5.723 1.00 0.00 H new ATOM 0 HB3 ARG A 39 22.683 1.345 -5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 39 24.190 -0.582 -5.825 1.00 0.00 H new ATOM 0 HG3 ARG A 39 22.933 -0.506 -7.043 1.00 0.00 H new ATOM 0 HD2 ARG A 39 24.430 0.116 -8.754 1.00 0.00 H new ATOM 0 HD3 ARG A 39 25.610 0.767 -7.634 1.00 0.00 H new ATOM 0 HE ARG A 39 26.577 -1.321 -7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 39 23.393 -1.809 -8.938 1.00 0.00 H new ATOM 0 HH12 ARG A 39 23.679 -3.535 -9.181 1.00 0.00 H new ATOM 0 HH21 ARG A 39 26.872 -3.511 -7.691 1.00 0.00 H new ATOM 0 HH22 ARG A 39 25.631 -4.490 -8.480 1.00 0.00 H new ATOM 635 N LEU A 40 21.851 1.898 -9.433 1.00 0.00 N ATOM 636 CA LEU A 40 20.849 1.238 -10.274 1.00 0.00 C ATOM 637 C LEU A 40 21.100 -0.264 -10.204 1.00 0.00 C ATOM 638 O LEU A 40 22.144 -0.717 -9.726 1.00 0.00 O ATOM 639 CB LEU A 40 20.953 1.716 -11.750 1.00 0.00 C ATOM 640 CG LEU A 40 20.098 2.941 -12.124 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.623 2.557 -12.255 1.00 0.00 C ATOM 642 CD2 LEU A 40 20.261 4.101 -11.139 1.00 0.00 C ATOM 0 H LEU A 40 22.584 2.373 -9.960 1.00 0.00 H new ATOM 0 HA LEU A 40 19.850 1.486 -9.915 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.997 1.947 -11.964 1.00 0.00 H new ATOM 0 HB3 LEU A 40 20.670 0.888 -12.400 1.00 0.00 H new ATOM 0 HG LEU A 40 20.463 3.289 -13.090 1.00 0.00 H new ATOM 0 HD11 LEU A 40 18.040 3.439 -12.520 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.511 1.801 -13.033 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.266 2.157 -11.306 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.635 4.936 -11.453 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.960 3.777 -10.143 1.00 0.00 H new ATOM 0 HD23 LEU A 40 21.304 4.417 -11.118 1.00 0.00 H new ATOM 654 N VAL A 41 20.168 -1.036 -10.752 1.00 0.00 N ATOM 655 CA VAL A 41 20.330 -2.463 -10.981 1.00 0.00 C ATOM 656 C VAL A 41 20.450 -2.602 -12.508 1.00 0.00 C ATOM 657 O VAL A 41 19.432 -2.522 -13.191 1.00 0.00 O ATOM 658 CB VAL A 41 19.168 -3.243 -10.330 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.304 -4.755 -10.565 1.00 0.00 C ATOM 660 CG2 VAL A 41 19.132 -2.988 -8.811 1.00 0.00 C ATOM 0 H VAL A 41 19.262 -0.678 -11.055 1.00 0.00 H new ATOM 0 HA VAL A 41 21.215 -2.897 -10.515 1.00 0.00 H new ATOM 0 HB VAL A 41 18.247 -2.890 -10.793 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.469 -5.273 -10.093 1.00 0.00 H new ATOM 0 HG12 VAL A 41 19.299 -4.959 -11.636 1.00 0.00 H new ATOM 0 HG13 VAL A 41 20.241 -5.108 -10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.307 -3.545 -8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 41 20.071 -3.315 -8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.992 -1.923 -8.624 1.00 0.00 H new ATOM 670 N PRO A 42 21.658 -2.760 -13.088 1.00 0.00 N ATOM 671 CA PRO A 42 21.911 -2.702 -14.538 1.00 0.00 C ATOM 672 C PRO A 42 21.398 -3.909 -15.352 1.00 0.00 C ATOM 673 O PRO A 42 21.890 -4.214 -16.441 1.00 0.00 O ATOM 674 CB PRO A 42 23.419 -2.442 -14.682 1.00 0.00 C ATOM 675 CG PRO A 42 24.002 -3.048 -13.410 1.00 0.00 C ATOM 676 CD PRO A 42 22.924 -2.738 -12.377 1.00 0.00 C ATOM 0 HA PRO A 42 21.324 -1.900 -14.985 1.00 0.00 H new ATOM 0 HB2 PRO A 42 23.825 -2.915 -15.576 1.00 0.00 H new ATOM 0 HB3 PRO A 42 23.638 -1.377 -14.757 1.00 0.00 H new ATOM 0 HG2 PRO A 42 24.172 -4.120 -13.511 1.00 0.00 H new ATOM 0 HG3 PRO A 42 24.959 -2.597 -13.147 1.00 0.00 H new ATOM 0 HD2 PRO A 42 22.932 -3.475 -11.574 1.00 0.00 H new ATOM 0 HD3 PRO A 42 23.095 -1.764 -11.917 1.00 0.00 H new ATOM 684 N ASN A 43 20.389 -4.586 -14.813 1.00 0.00 N ATOM 685 CA ASN A 43 19.576 -5.622 -15.439 1.00 0.00 C ATOM 686 C ASN A 43 18.070 -5.440 -15.162 1.00 0.00 C ATOM 687 O ASN A 43 17.255 -6.115 -15.791 1.00 0.00 O ATOM 688 CB ASN A 43 20.052 -7.028 -15.033 1.00 0.00 C ATOM 689 CG ASN A 43 19.719 -7.370 -13.583 1.00 0.00 C ATOM 690 OD1 ASN A 43 18.601 -7.751 -13.256 1.00 0.00 O ATOM 691 ND2 ASN A 43 20.675 -7.224 -12.679 1.00 0.00 N ATOM 0 H ASN A 43 20.096 -4.410 -13.852 1.00 0.00 H new ATOM 0 HA ASN A 43 19.711 -5.517 -16.515 1.00 0.00 H new ATOM 0 HB2 ASN A 43 19.592 -7.766 -15.690 1.00 0.00 H new ATOM 0 HB3 ASN A 43 21.130 -7.098 -15.180 1.00 0.00 H new ATOM 0 HD21 ASN A 43 20.485 -7.429 -11.698 1.00 0.00 H new ATOM 0 HD22 ASN A 43 21.602 -6.906 -12.963 1.00 0.00 H new ATOM 698 N ARG A 44 17.679 -4.514 -14.275 1.00 0.00 N ATOM 699 CA ARG A 44 16.324 -4.090 -13.988 1.00 0.00 C ATOM 700 C ARG A 44 16.433 -2.611 -13.630 1.00 0.00 C ATOM 701 O ARG A 44 16.333 -2.240 -12.464 1.00 0.00 O ATOM 702 CB ARG A 44 15.725 -4.902 -12.825 1.00 0.00 C ATOM 703 CG ARG A 44 15.005 -6.179 -13.273 1.00 0.00 C ATOM 704 CD ARG A 44 14.098 -6.695 -12.150 1.00 0.00 C ATOM 705 NE ARG A 44 12.986 -5.764 -11.880 1.00 0.00 N ATOM 706 CZ ARG A 44 11.979 -5.973 -11.026 1.00 0.00 C ATOM 707 NH1 ARG A 44 11.895 -7.109 -10.337 1.00 0.00 N ATOM 708 NH2 ARG A 44 11.056 -5.035 -10.861 1.00 0.00 N ATOM 0 H ARG A 44 18.360 -4.013 -13.704 1.00 0.00 H new ATOM 0 HA ARG A 44 15.661 -4.250 -14.838 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.522 -5.169 -12.131 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.023 -4.273 -12.277 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.413 -5.978 -14.166 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.735 -6.943 -13.541 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.698 -7.671 -12.424 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.685 -6.835 -11.242 1.00 0.00 H new ATOM 0 HE ARG A 44 12.985 -4.881 -12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.604 -7.832 -10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.122 -7.256 -9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.117 -4.161 -11.384 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.285 -5.187 -10.211 1.00 0.00 H new ATOM 722 N HIS A 45 16.673 -1.746 -14.618 1.00 0.00 N ATOM 723 CA HIS A 45 16.748 -0.304 -14.385 1.00 0.00 C ATOM 724 C HIS A 45 15.461 0.252 -13.747 1.00 0.00 C ATOM 725 O HIS A 45 15.460 1.397 -13.301 1.00 0.00 O ATOM 726 CB HIS A 45 16.984 0.448 -15.705 1.00 0.00 C ATOM 727 CG HIS A 45 18.123 -0.060 -16.548 1.00 0.00 C ATOM 728 ND1 HIS A 45 18.094 -0.242 -17.912 1.00 0.00 N ATOM 729 CD2 HIS A 45 19.375 -0.405 -16.118 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.300 -0.696 -18.295 1.00 0.00 C ATOM 731 NE2 HIS A 45 20.119 -0.818 -17.233 1.00 0.00 N ATOM 0 H HIS A 45 16.819 -2.021 -15.589 1.00 0.00 H new ATOM 0 HA HIS A 45 17.581 -0.150 -13.699 1.00 0.00 H new ATOM 0 HB2 HIS A 45 16.070 0.403 -16.296 1.00 0.00 H new ATOM 0 HB3 HIS A 45 17.165 1.498 -15.477 1.00 0.00 H new ATOM 0 HD1 HIS A 45 17.298 -0.064 -18.524 1.00 0.00 H new ATOM 0 HD2 HIS A 45 19.729 -0.366 -15.098 1.00 0.00 H new ATOM 0 HE1 HIS A 45 19.574 -0.930 -19.313 1.00 0.00 H new ATOM 739 N ASP A 46 14.365 -0.523 -13.726 1.00 0.00 N ATOM 740 CA ASP A 46 13.089 -0.136 -13.139 1.00 0.00 C ATOM 741 C ASP A 46 13.138 -0.113 -11.609 1.00 0.00 C ATOM 742 O ASP A 46 12.175 0.344 -10.990 1.00 0.00 O ATOM 743 CB ASP A 46 11.949 -1.034 -13.639 1.00 0.00 C ATOM 744 CG ASP A 46 11.872 -2.370 -12.895 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.798 -3.196 -13.042 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.871 -2.625 -12.190 1.00 0.00 O ATOM 0 H ASP A 46 14.350 -1.460 -14.130 1.00 0.00 H new ATOM 0 HA ASP A 46 12.888 0.883 -13.469 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.002 -0.506 -13.527 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.084 -1.224 -14.704 1.00 0.00 H new ATOM 751 N ILE A 47 14.245 -0.548 -10.994 1.00 0.00 N ATOM 752 CA ILE A 47 14.498 -0.433 -9.565 1.00 0.00 C ATOM 753 C ILE A 47 15.898 0.152 -9.328 1.00 0.00 C ATOM 754 O ILE A 47 16.762 0.115 -10.210 1.00 0.00 O ATOM 755 CB ILE A 47 14.309 -1.800 -8.868 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.547 -2.697 -9.096 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.971 -2.451 -9.269 1.00 0.00 C ATOM 758 CD1 ILE A 47 15.297 -4.197 -9.131 1.00 0.00 C ATOM 0 H ILE A 47 15.007 -1.002 -11.498 1.00 0.00 H new ATOM 0 HA ILE A 47 13.774 0.251 -9.122 1.00 0.00 H new ATOM 0 HB ILE A 47 14.240 -1.651 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 47 16.011 -2.406 -10.038 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.270 -2.489 -8.307 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.867 -3.411 -8.763 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.148 -1.798 -8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.951 -2.606 -10.348 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.239 -4.719 -9.297 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.867 -4.516 -8.182 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.605 -4.432 -9.940 1.00 0.00 H new ATOM 770 N ALA A 48 16.130 0.679 -8.126 1.00 0.00 N ATOM 771 CA ALA A 48 17.400 1.283 -7.725 1.00 0.00 C ATOM 772 C ALA A 48 17.473 1.403 -6.205 1.00 0.00 C ATOM 773 O ALA A 48 16.503 1.122 -5.500 1.00 0.00 O ATOM 774 CB ALA A 48 17.542 2.686 -8.346 1.00 0.00 C ATOM 0 H ALA A 48 15.425 0.698 -7.389 1.00 0.00 H new ATOM 0 HA ALA A 48 18.209 0.643 -8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.492 3.125 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.512 2.608 -9.433 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.723 3.319 -8.005 1.00 0.00 H new ATOM 780 N PHE A 49 18.608 1.896 -5.720 1.00 0.00 N ATOM 781 CA PHE A 49 18.829 2.299 -4.346 1.00 0.00 C ATOM 782 C PHE A 49 19.466 3.688 -4.371 1.00 0.00 C ATOM 783 O PHE A 49 20.197 4.023 -5.310 1.00 0.00 O ATOM 784 CB PHE A 49 19.735 1.297 -3.616 1.00 0.00 C ATOM 785 CG PHE A 49 19.134 -0.081 -3.398 1.00 0.00 C ATOM 786 CD1 PHE A 49 19.212 -1.059 -4.411 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.519 -0.396 -2.171 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.675 -2.341 -4.198 1.00 0.00 C ATOM 789 CE2 PHE A 49 18.000 -1.685 -1.951 1.00 0.00 C ATOM 790 CZ PHE A 49 18.078 -2.657 -2.965 1.00 0.00 C ATOM 0 H PHE A 49 19.433 2.029 -6.305 1.00 0.00 H new ATOM 0 HA PHE A 49 17.883 2.323 -3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.659 1.187 -4.184 1.00 0.00 H new ATOM 0 HB3 PHE A 49 20.005 1.715 -2.646 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.685 -0.823 -5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.446 0.354 -1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.721 -3.083 -4.982 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.542 -1.928 -1.004 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.679 -3.646 -2.796 1.00 0.00 H new ATOM 800 N VAL A 50 19.204 4.493 -3.343 1.00 0.00 N ATOM 801 CA VAL A 50 19.735 5.847 -3.187 1.00 0.00 C ATOM 802 C VAL A 50 20.167 5.984 -1.724 1.00 0.00 C ATOM 803 O VAL A 50 19.562 5.367 -0.846 1.00 0.00 O ATOM 804 CB VAL A 50 18.667 6.883 -3.619 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.192 8.324 -3.543 1.00 0.00 C ATOM 806 CG2 VAL A 50 18.163 6.640 -5.052 1.00 0.00 C ATOM 0 H VAL A 50 18.598 4.213 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 50 20.598 6.035 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 50 17.845 6.752 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.408 9.014 -3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.487 8.550 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.054 8.432 -4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.416 7.392 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.999 6.708 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.716 5.648 -5.117 1.00 0.00 H new ATOM 816 N GLU A 51 21.211 6.763 -1.444 1.00 0.00 N ATOM 817 CA GLU A 51 21.869 6.830 -0.147 1.00 0.00 C ATOM 818 C GLU A 51 22.183 8.291 0.176 1.00 0.00 C ATOM 819 O GLU A 51 22.544 9.068 -0.714 1.00 0.00 O ATOM 820 CB GLU A 51 23.133 5.958 -0.219 1.00 0.00 C ATOM 821 CG GLU A 51 24.037 6.077 1.015 1.00 0.00 C ATOM 822 CD GLU A 51 25.180 5.044 0.995 1.00 0.00 C ATOM 823 OE1 GLU A 51 24.917 3.820 1.001 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.361 5.457 1.004 1.00 0.00 O ATOM 0 H GLU A 51 21.632 7.382 -2.137 1.00 0.00 H new ATOM 0 HA GLU A 51 21.234 6.452 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 51 22.838 4.916 -0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.704 6.235 -1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.457 7.082 1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.440 5.940 1.916 1.00 0.00 H new ATOM 831 N PHE A 52 22.045 8.650 1.454 1.00 0.00 N ATOM 832 CA PHE A 52 22.149 10.015 1.956 1.00 0.00 C ATOM 833 C PHE A 52 23.133 10.090 3.124 1.00 0.00 C ATOM 834 O PHE A 52 23.576 9.078 3.670 1.00 0.00 O ATOM 835 CB PHE A 52 20.751 10.501 2.384 1.00 0.00 C ATOM 836 CG PHE A 52 19.971 11.195 1.282 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.560 10.498 0.129 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.691 12.569 1.395 1.00 0.00 C ATOM 839 CE1 PHE A 52 18.930 11.186 -0.922 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.048 13.254 0.353 1.00 0.00 C ATOM 841 CZ PHE A 52 18.691 12.565 -0.817 1.00 0.00 C ATOM 0 H PHE A 52 21.851 7.972 2.191 1.00 0.00 H new ATOM 0 HA PHE A 52 22.529 10.663 1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 52 20.175 9.647 2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.858 11.186 3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.729 9.434 0.053 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.973 13.101 2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 52 18.629 10.653 -1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.829 14.307 0.451 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.232 13.097 -1.637 1.00 0.00 H new ATOM 851 N THR A 53 23.473 11.315 3.509 1.00 0.00 N ATOM 852 CA THR A 53 24.218 11.642 4.713 1.00 0.00 C ATOM 853 C THR A 53 23.413 11.251 5.955 1.00 0.00 C ATOM 854 O THR A 53 23.951 10.605 6.856 1.00 0.00 O ATOM 855 CB THR A 53 24.502 13.156 4.698 1.00 0.00 C ATOM 856 OG1 THR A 53 25.323 13.482 3.592 1.00 0.00 O ATOM 857 CG2 THR A 53 25.169 13.640 5.989 1.00 0.00 C ATOM 0 H THR A 53 23.225 12.141 2.965 1.00 0.00 H new ATOM 0 HA THR A 53 25.157 11.090 4.743 1.00 0.00 H new ATOM 0 HB THR A 53 23.540 13.661 4.615 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.778 13.516 2.779 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.347 14.713 5.926 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.517 13.429 6.837 1.00 0.00 H new ATOM 0 HG23 THR A 53 26.118 13.122 6.124 1.00 0.00 H new ATOM 865 N THR A 54 22.130 11.614 5.993 1.00 0.00 N ATOM 866 CA THR A 54 21.309 11.512 7.184 1.00 0.00 C ATOM 867 C THR A 54 19.923 11.011 6.810 1.00 0.00 C ATOM 868 O THR A 54 19.365 11.368 5.771 1.00 0.00 O ATOM 869 CB THR A 54 21.252 12.876 7.907 1.00 0.00 C ATOM 870 OG1 THR A 54 21.543 13.974 7.052 1.00 0.00 O ATOM 871 CG2 THR A 54 22.254 12.913 9.058 1.00 0.00 C ATOM 0 H THR A 54 21.633 11.990 5.185 1.00 0.00 H new ATOM 0 HA THR A 54 21.750 10.793 7.875 1.00 0.00 H new ATOM 0 HB THR A 54 20.228 12.975 8.267 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.490 14.809 7.562 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.200 13.881 9.556 1.00 0.00 H new ATOM 0 HG22 THR A 54 22.017 12.124 9.772 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.261 12.760 8.669 1.00 0.00 H new ATOM 879 N GLU A 55 19.377 10.202 7.712 1.00 0.00 N ATOM 880 CA GLU A 55 18.119 9.468 7.572 1.00 0.00 C ATOM 881 C GLU A 55 16.953 10.419 7.332 1.00 0.00 C ATOM 882 O GLU A 55 16.009 10.124 6.601 1.00 0.00 O ATOM 883 CB GLU A 55 17.828 8.651 8.845 1.00 0.00 C ATOM 884 CG GLU A 55 18.976 7.739 9.301 1.00 0.00 C ATOM 885 CD GLU A 55 19.876 8.390 10.370 1.00 0.00 C ATOM 886 OE1 GLU A 55 20.644 9.320 10.033 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.827 7.970 11.548 1.00 0.00 O ATOM 0 H GLU A 55 19.824 10.030 8.612 1.00 0.00 H new ATOM 0 HA GLU A 55 18.225 8.801 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.586 9.340 9.655 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.943 8.039 8.672 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.561 6.813 9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.584 7.470 8.437 1.00 0.00 H new ATOM 894 N LEU A 56 17.022 11.578 7.985 1.00 0.00 N ATOM 895 CA LEU A 56 15.991 12.593 7.914 1.00 0.00 C ATOM 896 C LEU A 56 16.019 13.288 6.554 1.00 0.00 C ATOM 897 O LEU A 56 14.967 13.703 6.064 1.00 0.00 O ATOM 898 CB LEU A 56 16.196 13.597 9.054 1.00 0.00 C ATOM 899 CG LEU A 56 16.169 12.986 10.474 1.00 0.00 C ATOM 900 CD1 LEU A 56 16.090 14.106 11.516 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.031 11.981 10.705 1.00 0.00 C ATOM 0 H LEU A 56 17.807 11.834 8.583 1.00 0.00 H new ATOM 0 HA LEU A 56 15.011 12.129 8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.153 14.099 8.909 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.422 14.361 8.989 1.00 0.00 H new ATOM 0 HG LEU A 56 17.096 12.422 10.579 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.071 13.672 12.516 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.960 14.756 11.419 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.183 14.688 11.356 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.084 11.600 11.725 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.072 12.476 10.552 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.129 11.153 10.003 1.00 0.00 H new ATOM 913 N GLN A 57 17.194 13.390 5.922 1.00 0.00 N ATOM 914 CA GLN A 57 17.308 13.998 4.605 1.00 0.00 C ATOM 915 C GLN A 57 16.887 13.007 3.519 1.00 0.00 C ATOM 916 O GLN A 57 16.171 13.421 2.607 1.00 0.00 O ATOM 917 CB GLN A 57 18.717 14.559 4.376 1.00 0.00 C ATOM 918 CG GLN A 57 19.040 15.672 5.385 1.00 0.00 C ATOM 919 CD GLN A 57 20.174 16.568 4.890 1.00 0.00 C ATOM 920 OE1 GLN A 57 19.936 17.609 4.287 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.421 16.183 5.104 1.00 0.00 N ATOM 0 H GLN A 57 18.077 13.056 6.308 1.00 0.00 H new ATOM 0 HA GLN A 57 16.624 14.845 4.550 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.450 13.758 4.467 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.796 14.950 3.361 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.149 16.275 5.560 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.317 15.228 6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.608 15.315 5.607 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.196 16.754 4.766 1.00 0.00 H new ATOM 930 N SER A 58 17.227 11.714 3.623 1.00 0.00 N ATOM 931 CA SER A 58 16.663 10.708 2.726 1.00 0.00 C ATOM 932 C SER A 58 15.142 10.660 2.881 1.00 0.00 C ATOM 933 O SER A 58 14.441 10.596 1.874 1.00 0.00 O ATOM 934 CB SER A 58 17.286 9.326 2.960 1.00 0.00 C ATOM 935 OG SER A 58 17.706 9.143 4.294 1.00 0.00 O ATOM 0 H SER A 58 17.883 11.348 4.313 1.00 0.00 H new ATOM 0 HA SER A 58 16.902 10.996 1.702 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.560 8.555 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.138 9.197 2.293 1.00 0.00 H new ATOM 0 HG SER A 58 17.622 8.197 4.537 1.00 0.00 H new ATOM 941 N ASN A 59 14.617 10.758 4.109 1.00 0.00 N ATOM 942 CA ASN A 59 13.182 10.888 4.351 1.00 0.00 C ATOM 943 C ASN A 59 12.600 12.068 3.585 1.00 0.00 C ATOM 944 O ASN A 59 11.674 11.882 2.802 1.00 0.00 O ATOM 945 CB ASN A 59 12.882 10.994 5.854 1.00 0.00 C ATOM 946 CG ASN A 59 11.503 11.591 6.130 1.00 0.00 C ATOM 947 OD1 ASN A 59 10.483 10.936 5.960 1.00 0.00 O ATOM 948 ND2 ASN A 59 11.449 12.844 6.556 1.00 0.00 N ATOM 0 H ASN A 59 15.179 10.749 4.960 1.00 0.00 H new ATOM 0 HA ASN A 59 12.698 9.984 3.981 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.943 10.004 6.305 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.644 11.610 6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.547 13.279 6.748 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.310 13.374 6.692 1.00 0.00 H new ATOM 955 N ALA A 60 13.142 13.269 3.771 1.00 0.00 N ATOM 956 CA ALA A 60 12.586 14.450 3.119 1.00 0.00 C ATOM 957 C ALA A 60 12.645 14.332 1.594 1.00 0.00 C ATOM 958 O ALA A 60 11.675 14.661 0.913 1.00 0.00 O ATOM 959 CB ALA A 60 13.292 15.708 3.620 1.00 0.00 C ATOM 0 H ALA A 60 13.955 13.449 4.360 1.00 0.00 H new ATOM 0 HA ALA A 60 11.531 14.525 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.869 16.583 3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.155 15.797 4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.356 15.643 3.394 1.00 0.00 H new ATOM 965 N ALA A 61 13.751 13.813 1.057 1.00 0.00 N ATOM 966 CA ALA A 61 13.910 13.584 -0.371 1.00 0.00 C ATOM 967 C ALA A 61 12.900 12.557 -0.894 1.00 0.00 C ATOM 968 O ALA A 61 12.324 12.747 -1.964 1.00 0.00 O ATOM 969 CB ALA A 61 15.333 13.107 -0.653 1.00 0.00 C ATOM 0 H ALA A 61 14.564 13.540 1.609 1.00 0.00 H new ATOM 0 HA ALA A 61 13.724 14.524 -0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.454 12.935 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.043 13.866 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.519 12.179 -0.113 1.00 0.00 H new ATOM 975 N LYS A 62 12.665 11.478 -0.139 1.00 0.00 N ATOM 976 CA LYS A 62 11.659 10.475 -0.457 1.00 0.00 C ATOM 977 C LYS A 62 10.289 11.138 -0.523 1.00 0.00 C ATOM 978 O LYS A 62 9.613 11.016 -1.539 1.00 0.00 O ATOM 979 CB LYS A 62 11.739 9.330 0.570 1.00 0.00 C ATOM 980 CG LYS A 62 10.498 8.430 0.606 1.00 0.00 C ATOM 981 CD LYS A 62 10.751 7.196 1.480 1.00 0.00 C ATOM 982 CE LYS A 62 9.456 6.437 1.775 1.00 0.00 C ATOM 983 NZ LYS A 62 8.624 7.094 2.808 1.00 0.00 N ATOM 0 H LYS A 62 13.178 11.280 0.720 1.00 0.00 H new ATOM 0 HA LYS A 62 11.841 10.032 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.612 8.717 0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.894 9.756 1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.647 8.990 0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.239 8.119 -0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.455 6.533 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.215 7.503 2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.878 6.344 0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.700 5.426 2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.804 6.493 3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.189 7.236 3.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.294 8.015 2.454 1.00 0.00 H new ATOM 997 N GLU A 63 9.882 11.868 0.513 1.00 0.00 N ATOM 998 CA GLU A 63 8.559 12.484 0.528 1.00 0.00 C ATOM 999 C GLU A 63 8.418 13.510 -0.610 1.00 0.00 C ATOM 1000 O GLU A 63 7.326 13.676 -1.156 1.00 0.00 O ATOM 1001 CB GLU A 63 8.268 13.115 1.899 1.00 0.00 C ATOM 1002 CG GLU A 63 8.285 12.125 3.079 1.00 0.00 C ATOM 1003 CD GLU A 63 7.334 10.923 2.900 1.00 0.00 C ATOM 1004 OE1 GLU A 63 6.098 11.119 2.952 1.00 0.00 O ATOM 1005 OE2 GLU A 63 7.814 9.775 2.740 1.00 0.00 O ATOM 0 H GLU A 63 10.444 12.046 1.345 1.00 0.00 H new ATOM 0 HA GLU A 63 7.815 11.705 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.004 13.897 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.292 13.598 1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.301 11.755 3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.015 12.657 3.991 1.00 0.00 H new ATOM 1012 N ALA A 64 9.517 14.168 -0.997 1.00 0.00 N ATOM 1013 CA ALA A 64 9.544 15.133 -2.089 1.00 0.00 C ATOM 1014 C ALA A 64 9.393 14.473 -3.467 1.00 0.00 C ATOM 1015 O ALA A 64 8.680 15.019 -4.312 1.00 0.00 O ATOM 1016 CB ALA A 64 10.854 15.925 -2.036 1.00 0.00 C ATOM 0 H ALA A 64 10.424 14.039 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 64 8.690 15.798 -1.958 1.00 0.00 H new ATOM 0 HB1 ALA A 64 10.876 16.647 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.923 16.451 -1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.697 15.241 -2.134 1.00 0.00 H new ATOM 1022 N LEU A 65 10.053 13.332 -3.716 1.00 0.00 N ATOM 1023 CA LEU A 65 10.147 12.742 -5.059 1.00 0.00 C ATOM 1024 C LEU A 65 9.281 11.498 -5.244 1.00 0.00 C ATOM 1025 O LEU A 65 9.200 10.994 -6.366 1.00 0.00 O ATOM 1026 CB LEU A 65 11.612 12.456 -5.448 1.00 0.00 C ATOM 1027 CG LEU A 65 12.501 13.697 -5.652 1.00 0.00 C ATOM 1028 CD1 LEU A 65 13.893 13.255 -6.119 1.00 0.00 C ATOM 1029 CD2 LEU A 65 11.942 14.686 -6.685 1.00 0.00 C ATOM 0 H LEU A 65 10.535 12.795 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 65 9.746 13.495 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.060 11.834 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.617 11.872 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 65 12.539 14.209 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.524 14.132 -6.264 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.341 12.607 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.806 12.712 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.618 15.536 -6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.848 14.189 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.962 15.036 -6.360 1.00 0.00 H new ATOM 1041 N GLN A 66 8.591 11.007 -4.212 1.00 0.00 N ATOM 1042 CA GLN A 66 7.560 9.995 -4.420 1.00 0.00 C ATOM 1043 C GLN A 66 6.549 10.534 -5.441 1.00 0.00 C ATOM 1044 O GLN A 66 6.038 11.649 -5.308 1.00 0.00 O ATOM 1045 CB GLN A 66 6.850 9.618 -3.111 1.00 0.00 C ATOM 1046 CG GLN A 66 7.560 8.488 -2.352 1.00 0.00 C ATOM 1047 CD GLN A 66 6.755 8.020 -1.137 1.00 0.00 C ATOM 1048 OE1 GLN A 66 6.098 8.799 -0.451 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.763 6.728 -0.851 1.00 0.00 N ATOM 0 H GLN A 66 8.726 11.289 -3.241 1.00 0.00 H new ATOM 0 HA GLN A 66 8.031 9.086 -4.794 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.789 10.497 -2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.827 9.314 -3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.724 7.646 -3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.542 8.831 -2.026 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.309 6.083 -1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.223 6.377 -0.060 1.00 0.00 H new ATOM 1058 N GLY A 67 6.274 9.725 -6.461 1.00 0.00 N ATOM 1059 CA GLY A 67 5.341 10.029 -7.538 1.00 0.00 C ATOM 1060 C GLY A 67 5.926 10.916 -8.647 1.00 0.00 C ATOM 1061 O GLY A 67 5.200 11.247 -9.586 1.00 0.00 O ATOM 0 H GLY A 67 6.711 8.809 -6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.997 9.094 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.466 10.524 -7.117 1.00 0.00 H new ATOM 1065 N PHE A 68 7.199 11.320 -8.572 1.00 0.00 N ATOM 1066 CA PHE A 68 7.822 12.206 -9.548 1.00 0.00 C ATOM 1067 C PHE A 68 7.976 11.466 -10.877 1.00 0.00 C ATOM 1068 O PHE A 68 8.612 10.412 -10.917 1.00 0.00 O ATOM 1069 CB PHE A 68 9.186 12.664 -9.009 1.00 0.00 C ATOM 1070 CG PHE A 68 9.942 13.608 -9.921 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.730 14.998 -9.829 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.864 13.100 -10.855 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.438 15.875 -10.670 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.562 13.978 -11.701 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.352 15.366 -11.610 1.00 0.00 C ATOM 0 H PHE A 68 7.828 11.035 -7.822 1.00 0.00 H new ATOM 0 HA PHE A 68 7.200 13.085 -9.715 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.036 13.153 -8.047 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.803 11.784 -8.827 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.024 15.390 -9.112 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.035 12.036 -10.921 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.280 16.941 -10.594 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.262 13.586 -12.424 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.891 16.039 -12.260 1.00 0.00 H new ATOM 1085 N LYS A 69 7.424 11.998 -11.969 1.00 0.00 N ATOM 1086 CA LYS A 69 7.659 11.450 -13.310 1.00 0.00 C ATOM 1087 C LYS A 69 9.137 11.612 -13.641 1.00 0.00 C ATOM 1088 O LYS A 69 9.594 12.726 -13.896 1.00 0.00 O ATOM 1089 CB LYS A 69 6.805 12.141 -14.394 1.00 0.00 C ATOM 1090 CG LYS A 69 5.609 11.295 -14.841 1.00 0.00 C ATOM 1091 CD LYS A 69 4.520 11.144 -13.771 1.00 0.00 C ATOM 1092 CE LYS A 69 3.499 10.068 -14.167 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.616 10.473 -15.292 1.00 0.00 N ATOM 0 H LYS A 69 6.808 12.811 -11.953 1.00 0.00 H new ATOM 0 HA LYS A 69 7.368 10.400 -13.303 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.445 13.096 -14.011 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.432 12.360 -15.258 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.170 11.746 -15.731 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.964 10.305 -15.127 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.977 10.882 -12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.011 12.097 -13.629 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.031 9.158 -14.443 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.883 9.827 -13.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.768 9.871 -15.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.334 11.467 -15.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.128 10.365 -16.191 1.00 0.00 H new ATOM 1107 N ILE A 70 9.872 10.502 -13.656 1.00 0.00 N ATOM 1108 CA ILE A 70 11.236 10.496 -14.173 1.00 0.00 C ATOM 1109 C ILE A 70 11.093 10.642 -15.696 1.00 0.00 C ATOM 1110 O ILE A 70 11.765 11.476 -16.306 1.00 0.00 O ATOM 1111 CB ILE A 70 11.973 9.220 -13.739 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.021 9.092 -12.203 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.402 9.253 -14.294 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.422 7.691 -11.738 1.00 0.00 C ATOM 0 H ILE A 70 9.545 9.597 -13.316 1.00 0.00 H new ATOM 0 HA ILE A 70 11.846 11.309 -13.779 1.00 0.00 H new ATOM 0 HB ILE A 70 11.432 8.359 -14.132 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.729 9.819 -11.804 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.043 9.341 -11.791 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.931 8.350 -13.990 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.369 9.305 -15.382 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.923 10.128 -13.905 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.439 7.660 -10.649 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.701 6.964 -12.110 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.413 7.449 -12.123 1.00 0.00 H new ATOM 1126 N THR A 71 10.161 9.890 -16.289 1.00 0.00 N ATOM 1127 CA THR A 71 9.703 10.042 -17.665 1.00 0.00 C ATOM 1128 C THR A 71 8.172 10.012 -17.615 1.00 0.00 C ATOM 1129 O THR A 71 7.637 9.561 -16.597 1.00 0.00 O ATOM 1130 CB THR A 71 10.302 8.956 -18.578 1.00 0.00 C ATOM 1131 OG1 THR A 71 10.006 7.665 -18.092 1.00 0.00 O ATOM 1132 CG2 THR A 71 11.821 9.085 -18.726 1.00 0.00 C ATOM 0 H THR A 71 9.689 9.129 -15.800 1.00 0.00 H new ATOM 0 HA THR A 71 10.039 10.983 -18.100 1.00 0.00 H new ATOM 0 HB THR A 71 9.845 9.102 -19.557 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.396 6.993 -18.690 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.191 8.295 -19.379 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.063 10.056 -19.157 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.291 8.996 -17.747 1.00 0.00 H new ATOM 1140 N PRO A 72 7.446 10.489 -18.648 1.00 0.00 N ATOM 1141 CA PRO A 72 5.997 10.706 -18.616 1.00 0.00 C ATOM 1142 C PRO A 72 5.121 9.566 -18.083 1.00 0.00 C ATOM 1143 O PRO A 72 3.996 9.833 -17.657 1.00 0.00 O ATOM 1144 CB PRO A 72 5.606 11.065 -20.052 1.00 0.00 C ATOM 1145 CG PRO A 72 6.847 11.785 -20.566 1.00 0.00 C ATOM 1146 CD PRO A 72 7.985 11.016 -19.898 1.00 0.00 C ATOM 0 HA PRO A 72 5.803 11.491 -17.885 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.378 10.178 -20.643 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.724 11.705 -20.084 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.916 11.746 -21.653 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.850 12.838 -20.284 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.338 10.209 -20.540 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.837 11.669 -19.709 1.00 0.00 H new ATOM 1154 N THR A 73 5.606 8.325 -18.066 1.00 0.00 N ATOM 1155 CA THR A 73 4.849 7.135 -17.700 1.00 0.00 C ATOM 1156 C THR A 73 5.513 6.369 -16.545 1.00 0.00 C ATOM 1157 O THR A 73 5.093 5.255 -16.224 1.00 0.00 O ATOM 1158 CB THR A 73 4.664 6.275 -18.968 1.00 0.00 C ATOM 1159 OG1 THR A 73 5.901 6.146 -19.657 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.650 6.911 -19.928 1.00 0.00 C ATOM 0 H THR A 73 6.573 8.116 -18.316 1.00 0.00 H new ATOM 0 HA THR A 73 3.867 7.417 -17.321 1.00 0.00 H new ATOM 0 HB THR A 73 4.299 5.299 -18.648 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.773 5.597 -20.459 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.541 6.282 -20.812 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.686 7.005 -19.429 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.002 7.899 -20.227 1.00 0.00 H new ATOM 1168 N HIS A 74 6.518 6.961 -15.887 1.00 0.00 N ATOM 1169 CA HIS A 74 7.290 6.327 -14.830 1.00 0.00 C ATOM 1170 C HIS A 74 7.379 7.271 -13.642 1.00 0.00 C ATOM 1171 O HIS A 74 8.376 7.969 -13.437 1.00 0.00 O ATOM 1172 CB HIS A 74 8.657 5.877 -15.343 1.00 0.00 C ATOM 1173 CG HIS A 74 8.563 4.656 -16.217 1.00 0.00 C ATOM 1174 ND1 HIS A 74 8.566 3.357 -15.767 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.446 4.615 -17.580 1.00 0.00 C ATOM 1176 CE1 HIS A 74 8.477 2.547 -16.834 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.401 3.268 -17.970 1.00 0.00 N ATOM 0 H HIS A 74 6.818 7.916 -16.085 1.00 0.00 H new ATOM 0 HA HIS A 74 6.787 5.420 -14.496 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.117 6.689 -15.905 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.309 5.666 -14.496 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.625 3.060 -14.793 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.397 5.469 -18.239 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.468 1.468 -16.788 1.00 0.00 H new ATOM 1185 N ALA A 75 6.278 7.319 -12.892 1.00 0.00 N ATOM 1186 CA ALA A 75 6.230 7.973 -11.598 1.00 0.00 C ATOM 1187 C ALA A 75 7.107 7.151 -10.648 1.00 0.00 C ATOM 1188 O ALA A 75 6.797 5.990 -10.368 1.00 0.00 O ATOM 1189 CB ALA A 75 4.782 8.035 -11.100 1.00 0.00 C ATOM 0 H ALA A 75 5.392 6.900 -13.173 1.00 0.00 H new ATOM 0 HA ALA A 75 6.597 8.998 -11.655 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.752 8.527 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.177 8.598 -11.810 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.386 7.024 -11.007 1.00 0.00 H new ATOM 1195 N MET A 76 8.205 7.744 -10.190 1.00 0.00 N ATOM 1196 CA MET A 76 9.127 7.189 -9.213 1.00 0.00 C ATOM 1197 C MET A 76 8.364 6.667 -7.995 1.00 0.00 C ATOM 1198 O MET A 76 7.611 7.418 -7.373 1.00 0.00 O ATOM 1199 CB MET A 76 10.086 8.317 -8.801 1.00 0.00 C ATOM 1200 CG MET A 76 11.221 7.839 -7.896 1.00 0.00 C ATOM 1201 SD MET A 76 12.311 9.159 -7.291 1.00 0.00 S ATOM 1202 CE MET A 76 12.965 9.886 -8.818 1.00 0.00 C ATOM 0 H MET A 76 8.487 8.671 -10.508 1.00 0.00 H new ATOM 0 HA MET A 76 9.679 6.350 -9.638 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.510 8.770 -9.697 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.522 9.095 -8.286 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.791 7.319 -7.040 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.822 7.111 -8.442 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.629 10.714 -8.571 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.519 9.129 -9.373 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.140 10.252 -9.429 1.00 0.00 H new ATOM 1212 N LYS A 77 8.593 5.411 -7.615 1.00 0.00 N ATOM 1213 CA LYS A 77 8.107 4.859 -6.360 1.00 0.00 C ATOM 1214 C LYS A 77 9.326 4.707 -5.461 1.00 0.00 C ATOM 1215 O LYS A 77 10.415 4.396 -5.947 1.00 0.00 O ATOM 1216 CB LYS A 77 7.388 3.536 -6.648 1.00 0.00 C ATOM 1217 CG LYS A 77 6.781 2.926 -5.378 1.00 0.00 C ATOM 1218 CD LYS A 77 5.747 1.823 -5.655 1.00 0.00 C ATOM 1219 CE LYS A 77 6.250 0.776 -6.660 1.00 0.00 C ATOM 1220 NZ LYS A 77 5.427 -0.458 -6.645 1.00 0.00 N ATOM 0 H LYS A 77 9.125 4.746 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 77 7.379 5.496 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.600 3.703 -7.382 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.091 2.830 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.582 2.514 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.308 3.717 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.491 1.328 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.832 2.276 -6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.241 1.204 -7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.285 0.523 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.570 -0.981 -7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.710 -1.055 -5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.423 -0.204 -6.550 1.00 0.00 H new ATOM 1234 N ILE A 78 9.158 4.969 -4.169 1.00 0.00 N ATOM 1235 CA ILE A 78 10.240 5.012 -3.195 1.00 0.00 C ATOM 1236 C ILE A 78 9.707 4.361 -1.921 1.00 0.00 C ATOM 1237 O ILE A 78 8.558 4.605 -1.545 1.00 0.00 O ATOM 1238 CB ILE A 78 10.679 6.475 -2.910 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.764 7.373 -4.169 1.00 0.00 C ATOM 1240 CG2 ILE A 78 12.016 6.499 -2.144 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.179 8.817 -3.879 1.00 0.00 C ATOM 0 H ILE A 78 8.243 5.162 -3.762 1.00 0.00 H new ATOM 0 HA ILE A 78 11.117 4.486 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 78 9.889 6.903 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.477 6.935 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.793 7.378 -4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.308 7.532 -1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.902 5.973 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.786 6.009 -2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.215 9.380 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.454 9.276 -3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.164 8.826 -3.412 1.00 0.00 H new ATOM 1253 N THR A 79 10.565 3.625 -1.226 1.00 0.00 N ATOM 1254 CA THR A 79 10.360 3.079 0.107 1.00 0.00 C ATOM 1255 C THR A 79 11.695 3.215 0.855 1.00 0.00 C ATOM 1256 O THR A 79 12.747 3.323 0.215 1.00 0.00 O ATOM 1257 CB THR A 79 9.881 1.611 0.014 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.356 0.929 -1.141 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.361 1.521 -0.072 1.00 0.00 C ATOM 0 H THR A 79 11.480 3.379 -1.603 1.00 0.00 H new ATOM 0 HA THR A 79 9.583 3.617 0.650 1.00 0.00 H new ATOM 0 HB THR A 79 10.277 1.151 0.919 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.302 -0.039 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.062 0.475 -0.136 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.919 1.971 0.817 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.015 2.052 -0.958 1.00 0.00 H new ATOM 1267 N PHE A 80 11.703 3.230 2.189 1.00 0.00 N ATOM 1268 CA PHE A 80 12.969 3.149 2.915 1.00 0.00 C ATOM 1269 C PHE A 80 13.589 1.769 2.669 1.00 0.00 C ATOM 1270 O PHE A 80 12.866 0.772 2.585 1.00 0.00 O ATOM 1271 CB PHE A 80 12.758 3.416 4.411 1.00 0.00 C ATOM 1272 CG PHE A 80 12.352 4.846 4.720 1.00 0.00 C ATOM 1273 CD1 PHE A 80 13.290 5.892 4.616 1.00 0.00 C ATOM 1274 CD2 PHE A 80 11.030 5.139 5.104 1.00 0.00 C ATOM 1275 CE1 PHE A 80 12.898 7.221 4.848 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.648 6.461 5.382 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.575 7.506 5.233 1.00 0.00 C ATOM 0 H PHE A 80 10.871 3.296 2.775 1.00 0.00 H new ATOM 0 HA PHE A 80 13.654 3.916 2.552 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.991 2.739 4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.679 3.184 4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 80 14.315 5.671 4.357 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.305 4.342 5.185 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.612 8.023 4.731 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.642 6.675 5.710 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.273 8.527 5.414 1.00 0.00 H new ATOM 1287 N ALA A 81 14.916 1.698 2.538 1.00 0.00 N ATOM 1288 CA ALA A 81 15.624 0.419 2.532 1.00 0.00 C ATOM 1289 C ALA A 81 15.777 -0.036 3.990 1.00 0.00 C ATOM 1290 O ALA A 81 15.688 0.795 4.897 1.00 0.00 O ATOM 1291 CB ALA A 81 16.991 0.575 1.855 1.00 0.00 C ATOM 0 H ALA A 81 15.521 2.513 2.435 1.00 0.00 H new ATOM 0 HA ALA A 81 15.067 -0.329 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.509 -0.384 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.852 0.911 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.585 1.309 2.399 1.00 0.00 H new ATOM 1297 N LYS A 82 16.066 -1.322 4.226 1.00 0.00 N ATOM 1298 CA LYS A 82 16.115 -1.910 5.578 1.00 0.00 C ATOM 1299 C LYS A 82 17.466 -2.567 5.876 1.00 0.00 C ATOM 1300 O LYS A 82 17.553 -3.471 6.709 1.00 0.00 O ATOM 1301 CB LYS A 82 14.915 -2.850 5.815 1.00 0.00 C ATOM 1302 CG LYS A 82 13.561 -2.136 5.662 1.00 0.00 C ATOM 1303 CD LYS A 82 12.919 -2.358 4.288 1.00 0.00 C ATOM 1304 CE LYS A 82 11.650 -1.511 4.138 1.00 0.00 C ATOM 1305 NZ LYS A 82 11.171 -1.520 2.738 1.00 0.00 N ATOM 0 H LYS A 82 16.274 -1.990 3.484 1.00 0.00 H new ATOM 0 HA LYS A 82 16.025 -1.098 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.965 -3.680 5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.985 -3.276 6.816 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.880 -2.490 6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.700 -1.067 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.630 -2.099 3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.675 -3.413 4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.871 -1.897 4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.853 -0.487 4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.250 -1.040 2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 11.856 -1.024 2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.070 -2.502 2.412 1.00 0.00 H new ATOM 1319 N LYS A 83 18.508 -2.051 5.216 1.00 0.00 N ATOM 1320 CA LYS A 83 19.919 -2.429 5.337 1.00 0.00 C ATOM 1321 C LYS A 83 20.057 -3.949 5.478 1.00 0.00 C ATOM 1322 O LYS A 83 19.629 -4.658 4.542 1.00 0.00 O ATOM 1323 CB LYS A 83 20.578 -1.621 6.476 1.00 0.00 C ATOM 1324 CG LYS A 83 20.611 -0.114 6.159 1.00 0.00 C ATOM 1325 CD LYS A 83 21.059 0.774 7.328 1.00 0.00 C ATOM 1326 CE LYS A 83 20.082 0.686 8.513 1.00 0.00 C ATOM 1327 NZ LYS A 83 20.132 1.893 9.375 1.00 0.00 N ATOM 1328 OXT LYS A 83 20.603 -4.447 6.487 1.00 0.00 O ATOM 0 H LYS A 83 18.377 -1.304 4.534 1.00 0.00 H new ATOM 0 HA LYS A 83 20.462 -2.173 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 83 20.030 -1.786 7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 83 21.594 -1.981 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 83 21.281 0.052 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 83 19.616 0.199 5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 83 22.055 0.473 7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 83 21.133 1.808 6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.068 0.553 8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 83 20.318 -0.195 9.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 19.677 1.687 10.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 21.123 2.164 9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.631 2.675 8.907 1.00 0.00 H new TER 1342 LYS A 83