USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 911 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 97 ASN : amide:sc= -1.07! C(o=-1.7!,f=-2.8!) USER MOD Set 1.2: A 103 HIS :FLIP no HE2:sc= -0.581 F(o=-4.4!,f=-1.7) USER MOD Set 1.3: A 105 GLN :FLIP amide:sc= -0.0019 X(o=-2,f=-1.7) USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 80 MET CE :methyl -172:sc= 0 (180deg=-0.0936) USER MOD Set 3.1: A 50 CYS SG : rot 180:sc= 0.593 USER MOD Set 3.2: A 59 THR OG1 : rot -67:sc= 0.688 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -55:sc= 0.113 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.13 K(o=0.13,f=-1.8!) USER MOD Single : A 14 HIS : no HD1:sc= -6.06! X(o=-6.1!,f=-5.8) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0176) USER MOD Single : A 27 SER OG : rot 174:sc= -1.17 USER MOD Single : A 29 THR OG1 : rot 80:sc= 1.04 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 119:sc= -0.471 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.2!) USER MOD Single : A 56 CYS SG : rot 24:sc= 0.353 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -11.1! C(o=-11!,f=-11!) USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.21) USER MOD Single : A 73 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.27) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0099) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.750 -17.798 -14.380 1.00 0.00 N ATOM 2 CA GLY A 1 -0.663 -17.843 -13.420 1.00 0.00 C ATOM 3 C GLY A 1 0.595 -18.461 -13.998 1.00 0.00 C ATOM 4 O GLY A 1 1.225 -17.887 -14.886 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.587 -17.367 -13.937 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.463 -17.230 -15.203 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.980 -18.764 -14.689 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.443 -16.832 -13.077 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.977 -18.415 -12.547 1.00 0.00 H new ATOM 8 N SER A 2 0.963 -19.634 -13.492 1.00 0.00 N ATOM 9 CA SER A 2 2.158 -20.327 -13.959 1.00 0.00 C ATOM 10 C SER A 2 3.397 -19.456 -13.778 1.00 0.00 C ATOM 11 O SER A 2 4.236 -19.357 -14.674 1.00 0.00 O ATOM 12 CB SER A 2 2.004 -20.716 -15.431 1.00 0.00 C ATOM 13 OG SER A 2 1.286 -21.930 -15.566 1.00 0.00 O ATOM 0 H SER A 2 0.451 -20.124 -12.759 1.00 0.00 H new ATOM 0 HA SER A 2 2.281 -21.231 -13.362 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.485 -19.922 -15.968 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.988 -20.819 -15.888 1.00 0.00 H new ATOM 0 HG SER A 2 1.200 -22.155 -16.516 1.00 0.00 H new ATOM 19 N SER A 3 3.505 -18.826 -12.613 1.00 0.00 N ATOM 20 CA SER A 3 4.639 -17.960 -12.314 1.00 0.00 C ATOM 21 C SER A 3 5.088 -17.203 -13.560 1.00 0.00 C ATOM 22 O SER A 3 6.281 -17.090 -13.836 1.00 0.00 O ATOM 23 CB SER A 3 5.803 -18.782 -11.757 1.00 0.00 C ATOM 24 OG SER A 3 5.663 -18.984 -10.361 1.00 0.00 O ATOM 0 H SER A 3 2.821 -18.899 -11.860 1.00 0.00 H new ATOM 0 HA SER A 3 4.323 -17.236 -11.564 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.847 -19.746 -12.264 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.744 -18.271 -11.961 1.00 0.00 H new ATOM 0 HG SER A 3 6.418 -19.513 -10.030 1.00 0.00 H new ATOM 30 N GLY A 4 4.120 -16.685 -14.311 1.00 0.00 N ATOM 31 CA GLY A 4 4.434 -15.945 -15.519 1.00 0.00 C ATOM 32 C GLY A 4 4.111 -14.470 -15.395 1.00 0.00 C ATOM 33 O GLY A 4 3.053 -14.099 -14.887 1.00 0.00 O ATOM 0 H GLY A 4 3.124 -16.765 -14.104 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.493 -16.064 -15.749 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.876 -16.367 -16.355 1.00 0.00 H new ATOM 37 N SER A 5 5.026 -13.624 -15.860 1.00 0.00 N ATOM 38 CA SER A 5 4.836 -12.180 -15.794 1.00 0.00 C ATOM 39 C SER A 5 4.222 -11.653 -17.087 1.00 0.00 C ATOM 40 O SER A 5 4.623 -10.606 -17.596 1.00 0.00 O ATOM 41 CB SER A 5 6.170 -11.481 -15.526 1.00 0.00 C ATOM 42 OG SER A 5 5.969 -10.145 -15.099 1.00 0.00 O ATOM 0 H SER A 5 5.906 -13.914 -16.286 1.00 0.00 H new ATOM 0 HA SER A 5 4.151 -11.965 -14.974 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.725 -12.030 -14.765 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.777 -11.489 -16.431 1.00 0.00 H new ATOM 0 HG SER A 5 5.427 -9.668 -15.762 1.00 0.00 H new ATOM 48 N SER A 6 3.248 -12.387 -17.614 1.00 0.00 N ATOM 49 CA SER A 6 2.580 -11.997 -18.851 1.00 0.00 C ATOM 50 C SER A 6 1.320 -11.189 -18.557 1.00 0.00 C ATOM 51 O SER A 6 0.534 -11.543 -17.679 1.00 0.00 O ATOM 52 CB SER A 6 2.225 -13.235 -19.676 1.00 0.00 C ATOM 53 OG SER A 6 1.963 -12.891 -21.026 1.00 0.00 O ATOM 0 H SER A 6 2.903 -13.255 -17.204 1.00 0.00 H new ATOM 0 HA SER A 6 3.266 -11.372 -19.423 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.045 -13.952 -19.633 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.351 -13.724 -19.246 1.00 0.00 H new ATOM 0 HG SER A 6 1.740 -13.700 -21.532 1.00 0.00 H new ATOM 59 N GLY A 7 1.134 -10.102 -19.299 1.00 0.00 N ATOM 60 CA GLY A 7 -0.032 -9.260 -19.103 1.00 0.00 C ATOM 61 C GLY A 7 0.319 -7.916 -18.497 1.00 0.00 C ATOM 62 O GLY A 7 1.262 -7.807 -17.714 1.00 0.00 O ATOM 0 H GLY A 7 1.770 -9.789 -20.033 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.529 -9.105 -20.060 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.742 -9.773 -18.455 1.00 0.00 H new ATOM 66 N MET A 8 -0.441 -6.888 -18.862 1.00 0.00 N ATOM 67 CA MET A 8 -0.205 -5.544 -18.349 1.00 0.00 C ATOM 68 C MET A 8 -0.044 -5.561 -16.832 1.00 0.00 C ATOM 69 O MET A 8 -1.022 -5.690 -16.095 1.00 0.00 O ATOM 70 CB MET A 8 -1.356 -4.615 -18.741 1.00 0.00 C ATOM 71 CG MET A 8 -1.479 -4.399 -20.240 1.00 0.00 C ATOM 72 SD MET A 8 -0.049 -3.552 -20.939 1.00 0.00 S ATOM 73 CE MET A 8 -0.441 -1.848 -20.551 1.00 0.00 C ATOM 0 H MET A 8 -1.225 -6.961 -19.511 1.00 0.00 H new ATOM 0 HA MET A 8 0.719 -5.171 -18.791 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.291 -5.029 -18.364 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.215 -3.650 -18.254 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.602 -5.363 -20.733 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.378 -3.818 -20.447 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.353 -1.199 -20.921 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.384 -1.575 -21.025 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.531 -1.732 -19.471 1.00 0.00 H new ATOM 83 N VAL A 9 1.196 -5.431 -16.371 1.00 0.00 N ATOM 84 CA VAL A 9 1.484 -5.431 -14.942 1.00 0.00 C ATOM 85 C VAL A 9 1.373 -4.027 -14.359 1.00 0.00 C ATOM 86 O VAL A 9 1.764 -3.037 -14.978 1.00 0.00 O ATOM 87 CB VAL A 9 2.893 -5.984 -14.653 1.00 0.00 C ATOM 88 CG1 VAL A 9 3.005 -7.428 -15.119 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.951 -5.117 -15.318 1.00 0.00 C ATOM 0 H VAL A 9 2.017 -5.324 -16.967 1.00 0.00 H new ATOM 0 HA VAL A 9 0.744 -6.077 -14.470 1.00 0.00 H new ATOM 0 HB VAL A 9 3.061 -5.961 -13.576 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.007 -7.802 -14.907 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.271 -8.038 -14.593 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.818 -7.480 -16.192 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.940 -5.522 -15.104 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.789 -5.107 -16.396 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.884 -4.100 -14.932 1.00 0.00 H new ATOM 99 N PRO A 10 0.826 -3.935 -13.137 1.00 0.00 N ATOM 100 CA PRO A 10 0.651 -2.656 -12.442 1.00 0.00 C ATOM 101 C PRO A 10 1.978 -2.050 -12.001 1.00 0.00 C ATOM 102 O PRO A 10 2.926 -2.770 -11.684 1.00 0.00 O ATOM 103 CB PRO A 10 -0.198 -3.028 -11.224 1.00 0.00 C ATOM 104 CG PRO A 10 0.093 -4.469 -10.985 1.00 0.00 C ATOM 105 CD PRO A 10 0.338 -5.073 -12.340 1.00 0.00 C ATOM 0 HA PRO A 10 0.194 -1.903 -13.083 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.066 -2.422 -10.357 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.258 -2.865 -11.416 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.964 -4.589 -10.341 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.743 -4.958 -10.485 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.073 -5.877 -12.295 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.573 -5.498 -12.762 1.00 0.00 H new ATOM 113 N CYS A 11 2.040 -0.723 -11.982 1.00 0.00 N ATOM 114 CA CYS A 11 3.253 -0.020 -11.579 1.00 0.00 C ATOM 115 C CYS A 11 3.282 0.193 -10.069 1.00 0.00 C ATOM 116 O CYS A 11 4.307 -0.022 -9.422 1.00 0.00 O ATOM 117 CB CYS A 11 3.349 1.327 -12.298 1.00 0.00 C ATOM 118 SG CYS A 11 3.426 1.198 -14.100 1.00 0.00 S ATOM 0 H CYS A 11 1.265 -0.113 -12.241 1.00 0.00 H new ATOM 0 HA CYS A 11 4.109 -0.635 -11.857 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.487 1.935 -12.024 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.235 1.853 -11.944 1.00 0.00 H new ATOM 0 HG CYS A 11 3.503 2.388 -14.617 1.00 0.00 H new ATOM 124 N TRP A 12 2.152 0.617 -9.515 1.00 0.00 N ATOM 125 CA TRP A 12 2.049 0.861 -8.081 1.00 0.00 C ATOM 126 C TRP A 12 2.524 -0.351 -7.287 1.00 0.00 C ATOM 127 O TRP A 12 2.952 -0.225 -6.141 1.00 0.00 O ATOM 128 CB TRP A 12 0.606 1.200 -7.703 1.00 0.00 C ATOM 129 CG TRP A 12 -0.409 0.371 -8.430 1.00 0.00 C ATOM 130 CD1 TRP A 12 -1.090 0.716 -9.562 1.00 0.00 C ATOM 131 CD2 TRP A 12 -0.858 -0.941 -8.073 1.00 0.00 C ATOM 132 NE1 TRP A 12 -1.936 -0.302 -9.930 1.00 0.00 N ATOM 133 CE2 TRP A 12 -1.812 -1.330 -9.034 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.546 -1.825 -7.037 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.455 -2.564 -8.986 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.186 -3.050 -6.991 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.130 -3.411 -7.961 1.00 0.00 C ATOM 0 H TRP A 12 1.295 0.799 -10.037 1.00 0.00 H new ATOM 0 HA TRP A 12 2.690 1.707 -7.835 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.477 1.061 -6.630 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.421 2.254 -7.912 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.980 1.651 -10.090 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.556 -0.293 -10.740 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.182 -1.556 -6.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.185 -2.843 -9.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.954 -3.740 -6.193 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.611 -4.376 -7.899 1.00 0.00 H new ATOM 148 N ASN A 13 2.445 -1.526 -7.905 1.00 0.00 N ATOM 149 CA ASN A 13 2.867 -2.761 -7.254 1.00 0.00 C ATOM 150 C ASN A 13 4.380 -2.932 -7.342 1.00 0.00 C ATOM 151 O ASN A 13 4.906 -3.395 -8.354 1.00 0.00 O ATOM 152 CB ASN A 13 2.169 -3.963 -7.894 1.00 0.00 C ATOM 153 CG ASN A 13 2.323 -5.227 -7.071 1.00 0.00 C ATOM 154 OD1 ASN A 13 3.379 -5.859 -7.074 1.00 0.00 O ATOM 155 ND2 ASN A 13 1.266 -5.602 -6.360 1.00 0.00 N ATOM 0 H ASN A 13 2.093 -1.648 -8.855 1.00 0.00 H new ATOM 0 HA ASN A 13 2.586 -2.703 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.109 -3.740 -8.018 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.579 -4.129 -8.890 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.310 -6.444 -5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.410 -5.048 -6.387 1.00 0.00 H new ATOM 162 N HIS A 14 5.076 -2.555 -6.273 1.00 0.00 N ATOM 163 CA HIS A 14 6.529 -2.668 -6.228 1.00 0.00 C ATOM 164 C HIS A 14 6.952 -4.067 -5.791 1.00 0.00 C ATOM 165 O HIS A 14 7.956 -4.236 -5.101 1.00 0.00 O ATOM 166 CB HIS A 14 7.113 -1.625 -5.274 1.00 0.00 C ATOM 167 CG HIS A 14 7.157 -0.244 -5.851 1.00 0.00 C ATOM 168 ND1 HIS A 14 8.289 0.543 -5.834 1.00 0.00 N ATOM 169 CD2 HIS A 14 6.200 0.490 -6.466 1.00 0.00 C ATOM 170 CE1 HIS A 14 8.026 1.702 -6.411 1.00 0.00 C ATOM 171 NE2 HIS A 14 6.765 1.695 -6.804 1.00 0.00 N ATOM 0 H HIS A 14 4.657 -2.169 -5.427 1.00 0.00 H new ATOM 0 HA HIS A 14 6.914 -2.488 -7.232 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.520 -1.609 -4.359 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.123 -1.925 -4.994 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.182 0.185 -6.656 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.723 2.517 -6.539 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.288 2.460 -7.281 1.00 0.00 H new ATOM 180 N GLY A 15 6.178 -5.069 -6.199 1.00 0.00 N ATOM 181 CA GLY A 15 6.489 -6.440 -5.840 1.00 0.00 C ATOM 182 C GLY A 15 6.956 -6.572 -4.404 1.00 0.00 C ATOM 183 O GLY A 15 6.216 -6.257 -3.473 1.00 0.00 O ATOM 0 H GLY A 15 5.342 -4.955 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.606 -7.061 -5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.263 -6.820 -6.507 1.00 0.00 H new ATOM 187 N ASN A 16 8.187 -7.040 -4.224 1.00 0.00 N ATOM 188 CA ASN A 16 8.750 -7.215 -2.891 1.00 0.00 C ATOM 189 C ASN A 16 9.886 -6.225 -2.646 1.00 0.00 C ATOM 190 O ASN A 16 10.894 -6.236 -3.352 1.00 0.00 O ATOM 191 CB ASN A 16 9.260 -8.646 -2.713 1.00 0.00 C ATOM 192 CG ASN A 16 10.355 -8.745 -1.669 1.00 0.00 C ATOM 193 OD1 ASN A 16 11.538 -8.833 -2.001 1.00 0.00 O ATOM 194 ND2 ASN A 16 9.966 -8.733 -0.400 1.00 0.00 N ATOM 0 H ASN A 16 8.813 -7.305 -4.985 1.00 0.00 H new ATOM 0 HA ASN A 16 7.961 -7.024 -2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.430 -9.291 -2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.637 -9.016 -3.667 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.658 -8.798 0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.975 -8.659 -0.171 1.00 0.00 H new ATOM 201 N ILE A 17 9.714 -5.373 -1.641 1.00 0.00 N ATOM 202 CA ILE A 17 10.725 -4.379 -1.303 1.00 0.00 C ATOM 203 C ILE A 17 10.812 -4.176 0.206 1.00 0.00 C ATOM 204 O ILE A 17 9.916 -4.574 0.951 1.00 0.00 O ATOM 205 CB ILE A 17 10.430 -3.025 -1.975 1.00 0.00 C ATOM 206 CG1 ILE A 17 9.069 -2.492 -1.524 1.00 0.00 C ATOM 207 CG2 ILE A 17 10.474 -3.165 -3.489 1.00 0.00 C ATOM 208 CD1 ILE A 17 8.864 -1.024 -1.826 1.00 0.00 C ATOM 0 H ILE A 17 8.885 -5.351 -1.047 1.00 0.00 H new ATOM 0 HA ILE A 17 11.678 -4.759 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 17 11.197 -2.312 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.283 -3.068 -2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.963 -2.652 -0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.264 -2.200 -3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.464 -3.505 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.726 -3.891 -3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.878 -0.715 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.628 -0.437 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.938 -0.860 -2.901 1.00 0.00 H new ATOM 220 N THR A 18 11.898 -3.551 0.652 1.00 0.00 N ATOM 221 CA THR A 18 12.103 -3.294 2.072 1.00 0.00 C ATOM 222 C THR A 18 11.250 -2.123 2.547 1.00 0.00 C ATOM 223 O THR A 18 10.693 -1.380 1.739 1.00 0.00 O ATOM 224 CB THR A 18 13.582 -2.996 2.381 1.00 0.00 C ATOM 225 OG1 THR A 18 13.780 -2.913 3.796 1.00 0.00 O ATOM 226 CG2 THR A 18 14.020 -1.694 1.725 1.00 0.00 C ATOM 0 H THR A 18 12.649 -3.214 0.050 1.00 0.00 H new ATOM 0 HA THR A 18 11.804 -4.197 2.604 1.00 0.00 H new ATOM 0 HB THR A 18 14.186 -3.809 1.978 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.723 -2.725 3.984 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.068 -1.504 1.957 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.896 -1.771 0.645 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.410 -0.873 2.103 1.00 0.00 H new ATOM 234 N ARG A 19 11.154 -1.963 3.863 1.00 0.00 N ATOM 235 CA ARG A 19 10.368 -0.882 4.446 1.00 0.00 C ATOM 236 C ARG A 19 10.903 0.477 4.006 1.00 0.00 C ATOM 237 O ARG A 19 10.232 1.217 3.286 1.00 0.00 O ATOM 238 CB ARG A 19 10.383 -0.978 5.973 1.00 0.00 C ATOM 239 CG ARG A 19 9.327 -0.118 6.647 1.00 0.00 C ATOM 240 CD ARG A 19 9.159 -0.488 8.112 1.00 0.00 C ATOM 241 NE ARG A 19 7.967 0.119 8.698 1.00 0.00 N ATOM 242 CZ ARG A 19 7.344 -0.367 9.766 1.00 0.00 C ATOM 243 NH1 ARG A 19 7.799 -1.460 10.363 1.00 0.00 N ATOM 244 NH2 ARG A 19 6.264 0.242 10.239 1.00 0.00 N ATOM 0 H ARG A 19 11.611 -2.568 4.545 1.00 0.00 H new ATOM 0 HA ARG A 19 9.342 -0.981 4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.234 -2.018 6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.367 -0.683 6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.606 0.933 6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.375 -0.236 6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.097 -1.572 8.207 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.039 -0.169 8.670 1.00 0.00 H new ATOM 0 HE ARG A 19 7.592 0.962 8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.629 -1.930 10.002 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.319 -1.831 11.183 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.912 1.083 9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.786 -0.131 11.059 1.00 0.00 H new ATOM 258 N SER A 20 12.116 0.800 4.443 1.00 0.00 N ATOM 259 CA SER A 20 12.740 2.072 4.098 1.00 0.00 C ATOM 260 C SER A 20 12.443 2.447 2.649 1.00 0.00 C ATOM 261 O SER A 20 12.179 3.609 2.338 1.00 0.00 O ATOM 262 CB SER A 20 14.252 1.999 4.319 1.00 0.00 C ATOM 263 OG SER A 20 14.556 1.652 5.658 1.00 0.00 O ATOM 0 H SER A 20 12.686 0.198 5.037 1.00 0.00 H new ATOM 0 HA SER A 20 12.322 2.842 4.747 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.686 1.263 3.642 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.705 2.961 4.078 1.00 0.00 H new ATOM 0 HG SER A 20 15.528 1.610 5.772 1.00 0.00 H new ATOM 269 N LYS A 21 12.489 1.455 1.767 1.00 0.00 N ATOM 270 CA LYS A 21 12.224 1.678 0.350 1.00 0.00 C ATOM 271 C LYS A 21 10.809 2.205 0.137 1.00 0.00 C ATOM 272 O LYS A 21 10.615 3.274 -0.441 1.00 0.00 O ATOM 273 CB LYS A 21 12.420 0.380 -0.436 1.00 0.00 C ATOM 274 CG LYS A 21 12.050 0.496 -1.905 1.00 0.00 C ATOM 275 CD LYS A 21 13.240 0.921 -2.748 1.00 0.00 C ATOM 276 CE LYS A 21 12.878 1.002 -4.223 1.00 0.00 C ATOM 277 NZ LYS A 21 12.690 -0.348 -4.823 1.00 0.00 N ATOM 0 H LYS A 21 12.707 0.488 2.008 1.00 0.00 H new ATOM 0 HA LYS A 21 12.929 2.426 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.462 0.071 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.818 -0.406 0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.673 -0.462 -2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.243 1.220 -2.022 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.601 1.891 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.056 0.212 -2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.963 1.582 -4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.664 1.532 -4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.545 -0.255 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.534 -0.928 -4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.859 -0.805 -4.396 1.00 0.00 H new ATOM 291 N ALA A 22 9.823 1.449 0.610 1.00 0.00 N ATOM 292 CA ALA A 22 8.426 1.842 0.474 1.00 0.00 C ATOM 293 C ALA A 22 8.214 3.281 0.931 1.00 0.00 C ATOM 294 O ALA A 22 7.484 4.042 0.297 1.00 0.00 O ATOM 295 CB ALA A 22 7.533 0.897 1.264 1.00 0.00 C ATOM 0 H ALA A 22 9.966 0.561 1.091 1.00 0.00 H new ATOM 0 HA ALA A 22 8.157 1.781 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.492 1.202 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.655 -0.119 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.811 0.929 2.318 1.00 0.00 H new ATOM 301 N GLU A 23 8.856 3.647 2.036 1.00 0.00 N ATOM 302 CA GLU A 23 8.735 4.995 2.578 1.00 0.00 C ATOM 303 C GLU A 23 9.478 6.001 1.704 1.00 0.00 C ATOM 304 O GLU A 23 8.871 6.895 1.116 1.00 0.00 O ATOM 305 CB GLU A 23 9.280 5.044 4.008 1.00 0.00 C ATOM 306 CG GLU A 23 8.476 4.214 4.994 1.00 0.00 C ATOM 307 CD GLU A 23 9.114 4.163 6.369 1.00 0.00 C ATOM 308 OE1 GLU A 23 9.890 5.084 6.698 1.00 0.00 O ATOM 309 OE2 GLU A 23 8.836 3.201 7.116 1.00 0.00 O ATOM 0 H GLU A 23 9.465 3.029 2.573 1.00 0.00 H new ATOM 0 HA GLU A 23 7.678 5.261 2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.312 4.693 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.296 6.080 4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.472 4.629 5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.370 3.200 4.609 1.00 0.00 H new ATOM 316 N GLU A 24 10.797 5.849 1.626 1.00 0.00 N ATOM 317 CA GLU A 24 11.622 6.745 0.825 1.00 0.00 C ATOM 318 C GLU A 24 10.972 7.022 -0.527 1.00 0.00 C ATOM 319 O GLU A 24 11.122 8.107 -1.091 1.00 0.00 O ATOM 320 CB GLU A 24 13.015 6.144 0.620 1.00 0.00 C ATOM 321 CG GLU A 24 13.112 5.233 -0.592 1.00 0.00 C ATOM 322 CD GLU A 24 14.539 4.826 -0.903 1.00 0.00 C ATOM 323 OE1 GLU A 24 15.390 4.909 0.007 1.00 0.00 O ATOM 324 OE2 GLU A 24 14.805 4.424 -2.055 1.00 0.00 O ATOM 0 H GLU A 24 11.316 5.115 2.107 1.00 0.00 H new ATOM 0 HA GLU A 24 11.716 7.688 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.739 6.952 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.293 5.581 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.513 4.339 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.686 5.740 -1.458 1.00 0.00 H new ATOM 331 N LEU A 25 10.248 6.034 -1.042 1.00 0.00 N ATOM 332 CA LEU A 25 9.574 6.170 -2.328 1.00 0.00 C ATOM 333 C LEU A 25 8.494 7.246 -2.266 1.00 0.00 C ATOM 334 O LEU A 25 8.336 8.035 -3.198 1.00 0.00 O ATOM 335 CB LEU A 25 8.956 4.834 -2.746 1.00 0.00 C ATOM 336 CG LEU A 25 9.919 3.805 -3.338 1.00 0.00 C ATOM 337 CD1 LEU A 25 9.204 2.485 -3.583 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.533 4.328 -4.628 1.00 0.00 C ATOM 0 H LEU A 25 10.113 5.130 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 25 10.315 6.468 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.474 4.391 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.173 5.032 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 25 10.722 3.633 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.905 1.764 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.813 2.102 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.381 2.641 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.216 3.582 -5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.743 4.530 -5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.081 5.248 -4.423 1.00 0.00 H new ATOM 350 N LEU A 26 7.756 7.272 -1.163 1.00 0.00 N ATOM 351 CA LEU A 26 6.692 8.253 -0.977 1.00 0.00 C ATOM 352 C LEU A 26 7.267 9.615 -0.601 1.00 0.00 C ATOM 353 O LEU A 26 6.811 10.649 -1.090 1.00 0.00 O ATOM 354 CB LEU A 26 5.719 7.781 0.104 1.00 0.00 C ATOM 355 CG LEU A 26 4.890 6.541 -0.234 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.562 5.758 1.028 1.00 0.00 C ATOM 357 CD2 LEU A 26 3.615 6.935 -0.966 1.00 0.00 C ATOM 0 H LEU A 26 7.874 6.625 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 26 6.155 8.354 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.287 7.577 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.036 8.599 0.332 1.00 0.00 H new ATOM 0 HG LEU A 26 5.479 5.901 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.972 4.879 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.487 5.444 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.992 6.389 1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.038 6.040 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.022 7.595 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.871 7.452 -1.891 1.00 0.00 H new ATOM 369 N SER A 27 8.271 9.608 0.270 1.00 0.00 N ATOM 370 CA SER A 27 8.907 10.843 0.714 1.00 0.00 C ATOM 371 C SER A 27 9.522 11.591 -0.465 1.00 0.00 C ATOM 372 O SER A 27 9.173 12.740 -0.736 1.00 0.00 O ATOM 373 CB SER A 27 9.983 10.540 1.758 1.00 0.00 C ATOM 374 OG SER A 27 11.067 9.830 1.183 1.00 0.00 O ATOM 0 H SER A 27 8.662 8.761 0.682 1.00 0.00 H new ATOM 0 HA SER A 27 8.142 11.476 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.345 11.472 2.193 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.551 9.955 2.570 1.00 0.00 H new ATOM 0 HG SER A 27 11.783 9.734 1.845 1.00 0.00 H new ATOM 380 N ARG A 28 10.440 10.930 -1.163 1.00 0.00 N ATOM 381 CA ARG A 28 11.106 11.532 -2.312 1.00 0.00 C ATOM 382 C ARG A 28 10.097 12.223 -3.224 1.00 0.00 C ATOM 383 O ARG A 28 10.323 13.343 -3.683 1.00 0.00 O ATOM 384 CB ARG A 28 11.874 10.468 -3.098 1.00 0.00 C ATOM 385 CG ARG A 28 10.977 9.453 -3.787 1.00 0.00 C ATOM 386 CD ARG A 28 11.788 8.439 -4.579 1.00 0.00 C ATOM 387 NE ARG A 28 11.997 8.863 -5.960 1.00 0.00 N ATOM 388 CZ ARG A 28 11.011 9.023 -6.837 1.00 0.00 C ATOM 389 NH1 ARG A 28 9.756 8.795 -6.477 1.00 0.00 N ATOM 390 NH2 ARG A 28 11.281 9.412 -8.076 1.00 0.00 N ATOM 0 H ARG A 28 10.739 9.978 -0.953 1.00 0.00 H new ATOM 0 HA ARG A 28 11.808 12.279 -1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.494 10.959 -3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.548 9.944 -2.420 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.373 8.935 -3.042 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.287 9.969 -4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.754 8.290 -4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.275 7.477 -4.569 1.00 0.00 H new ATOM 0 HE ARG A 28 12.952 9.047 -6.269 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.545 8.496 -5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.001 8.919 -7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.246 9.589 -8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.524 9.535 -8.748 1.00 0.00 H new ATOM 404 N THR A 29 8.982 11.548 -3.484 1.00 0.00 N ATOM 405 CA THR A 29 7.939 12.095 -4.342 1.00 0.00 C ATOM 406 C THR A 29 7.490 13.468 -3.855 1.00 0.00 C ATOM 407 O THR A 29 7.437 14.425 -4.627 1.00 0.00 O ATOM 408 CB THR A 29 6.715 11.161 -4.406 1.00 0.00 C ATOM 409 OG1 THR A 29 7.108 9.872 -4.890 1.00 0.00 O ATOM 410 CG2 THR A 29 5.638 11.742 -5.309 1.00 0.00 C ATOM 0 H THR A 29 8.778 10.620 -3.112 1.00 0.00 H new ATOM 0 HA THR A 29 8.368 12.188 -5.340 1.00 0.00 H new ATOM 0 HB THR A 29 6.307 11.062 -3.400 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.508 9.356 -4.159 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.784 11.065 -5.339 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.321 12.710 -4.921 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.036 11.868 -6.316 1.00 0.00 H new ATOM 418 N GLY A 30 7.170 13.559 -2.567 1.00 0.00 N ATOM 419 CA GLY A 30 6.731 14.820 -1.999 1.00 0.00 C ATOM 420 C GLY A 30 5.464 15.340 -2.651 1.00 0.00 C ATOM 421 O GLY A 30 5.396 16.501 -3.054 1.00 0.00 O ATOM 0 H GLY A 30 7.207 12.782 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.560 14.694 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.523 15.560 -2.110 1.00 0.00 H new ATOM 425 N LYS A 31 4.458 14.478 -2.755 1.00 0.00 N ATOM 426 CA LYS A 31 3.187 14.856 -3.362 1.00 0.00 C ATOM 427 C LYS A 31 2.015 14.380 -2.510 1.00 0.00 C ATOM 428 O LYS A 31 2.002 13.244 -2.034 1.00 0.00 O ATOM 429 CB LYS A 31 3.078 14.270 -4.772 1.00 0.00 C ATOM 430 CG LYS A 31 3.832 15.067 -5.822 1.00 0.00 C ATOM 431 CD LYS A 31 3.535 14.564 -7.224 1.00 0.00 C ATOM 432 CE LYS A 31 4.309 15.347 -8.273 1.00 0.00 C ATOM 433 NZ LYS A 31 5.726 14.898 -8.366 1.00 0.00 N ATOM 0 H LYS A 31 4.498 13.513 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 31 3.151 15.944 -3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.457 13.248 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.026 14.217 -5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.559 16.119 -5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.903 15.001 -5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.792 13.507 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.466 14.646 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.826 15.230 -9.243 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.280 16.409 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.220 15.456 -9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.194 15.033 -7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.755 13.891 -8.624 1.00 0.00 H new ATOM 447 N ASP A 32 1.032 15.253 -2.324 1.00 0.00 N ATOM 448 CA ASP A 32 -0.146 14.921 -1.532 1.00 0.00 C ATOM 449 C ASP A 32 -1.143 14.109 -2.354 1.00 0.00 C ATOM 450 O ASP A 32 -2.118 14.648 -2.875 1.00 0.00 O ATOM 451 CB ASP A 32 -0.814 16.195 -1.012 1.00 0.00 C ATOM 452 CG ASP A 32 -1.526 15.979 0.309 1.00 0.00 C ATOM 453 OD1 ASP A 32 -2.558 15.275 0.318 1.00 0.00 O ATOM 454 OD2 ASP A 32 -1.052 16.512 1.333 1.00 0.00 O ATOM 0 H ASP A 32 1.027 16.197 -2.711 1.00 0.00 H new ATOM 0 HA ASP A 32 0.176 14.317 -0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.061 16.974 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.529 16.555 -1.752 1.00 0.00 H new ATOM 459 N GLY A 33 -0.889 12.809 -2.466 1.00 0.00 N ATOM 460 CA GLY A 33 -1.771 11.944 -3.227 1.00 0.00 C ATOM 461 C GLY A 33 -1.039 10.773 -3.851 1.00 0.00 C ATOM 462 O GLY A 33 -1.389 10.324 -4.943 1.00 0.00 O ATOM 0 H GLY A 33 -0.088 12.339 -2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.559 11.569 -2.574 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.256 12.525 -4.011 1.00 0.00 H new ATOM 466 N SER A 34 -0.019 10.278 -3.158 1.00 0.00 N ATOM 467 CA SER A 34 0.769 9.155 -3.654 1.00 0.00 C ATOM 468 C SER A 34 0.361 7.858 -2.962 1.00 0.00 C ATOM 469 O SER A 34 -0.275 7.876 -1.908 1.00 0.00 O ATOM 470 CB SER A 34 2.261 9.415 -3.436 1.00 0.00 C ATOM 471 OG SER A 34 2.774 10.296 -4.420 1.00 0.00 O ATOM 0 H SER A 34 0.282 10.636 -2.252 1.00 0.00 H new ATOM 0 HA SER A 34 0.578 9.053 -4.722 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.418 9.841 -2.445 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.806 8.472 -3.468 1.00 0.00 H new ATOM 0 HG SER A 34 3.118 11.105 -3.987 1.00 0.00 H new ATOM 477 N PHE A 35 0.731 6.732 -3.564 1.00 0.00 N ATOM 478 CA PHE A 35 0.404 5.425 -3.007 1.00 0.00 C ATOM 479 C PHE A 35 1.185 4.321 -3.715 1.00 0.00 C ATOM 480 O PHE A 35 1.590 4.473 -4.868 1.00 0.00 O ATOM 481 CB PHE A 35 -1.098 5.158 -3.126 1.00 0.00 C ATOM 482 CG PHE A 35 -1.515 4.673 -4.485 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.685 5.565 -5.532 1.00 0.00 C ATOM 484 CD2 PHE A 35 -1.738 3.325 -4.716 1.00 0.00 C ATOM 485 CE1 PHE A 35 -2.069 5.122 -6.783 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.121 2.876 -5.966 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.288 3.776 -7.000 1.00 0.00 C ATOM 0 H PHE A 35 1.257 6.699 -4.437 1.00 0.00 H new ATOM 0 HA PHE A 35 0.684 5.426 -1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.387 4.418 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.641 6.074 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.515 6.619 -5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.611 2.617 -3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.198 5.828 -7.590 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.289 1.822 -6.134 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.589 3.428 -7.977 1.00 0.00 H new ATOM 497 N LEU A 36 1.394 3.211 -3.016 1.00 0.00 N ATOM 498 CA LEU A 36 2.127 2.081 -3.576 1.00 0.00 C ATOM 499 C LEU A 36 1.728 0.779 -2.888 1.00 0.00 C ATOM 500 O LEU A 36 1.024 0.788 -1.879 1.00 0.00 O ATOM 501 CB LEU A 36 3.634 2.305 -3.434 1.00 0.00 C ATOM 502 CG LEU A 36 4.168 2.393 -2.004 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.460 1.005 -1.457 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.416 3.261 -1.954 1.00 0.00 C ATOM 0 H LEU A 36 1.066 3.069 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 36 1.875 2.004 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.151 1.493 -3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.895 3.226 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 36 3.403 2.854 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.839 1.088 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.544 0.414 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.206 0.517 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.782 3.313 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.186 2.829 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.175 4.265 -2.304 1.00 0.00 H new ATOM 516 N VAL A 37 2.185 -0.340 -3.441 1.00 0.00 N ATOM 517 CA VAL A 37 1.879 -1.651 -2.880 1.00 0.00 C ATOM 518 C VAL A 37 3.136 -2.505 -2.761 1.00 0.00 C ATOM 519 O VAL A 37 4.089 -2.335 -3.522 1.00 0.00 O ATOM 520 CB VAL A 37 0.842 -2.400 -3.737 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.532 -3.761 -3.132 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.425 -1.572 -3.885 1.00 0.00 C ATOM 0 H VAL A 37 2.769 -0.365 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 37 1.464 -1.481 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 37 1.263 -2.558 -4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.203 -4.276 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.445 -4.354 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.131 -3.630 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.147 -2.117 -4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.852 -1.381 -2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.186 -0.624 -4.367 1.00 0.00 H new ATOM 532 N ARG A 38 3.132 -3.424 -1.801 1.00 0.00 N ATOM 533 CA ARG A 38 4.273 -4.305 -1.581 1.00 0.00 C ATOM 534 C ARG A 38 3.831 -5.614 -0.935 1.00 0.00 C ATOM 535 O ARG A 38 3.115 -5.614 0.066 1.00 0.00 O ATOM 536 CB ARG A 38 5.315 -3.614 -0.700 1.00 0.00 C ATOM 537 CG ARG A 38 4.767 -3.144 0.637 1.00 0.00 C ATOM 538 CD ARG A 38 5.883 -2.888 1.638 1.00 0.00 C ATOM 539 NE ARG A 38 5.451 -3.127 3.013 1.00 0.00 N ATOM 540 CZ ARG A 38 6.040 -2.585 4.073 1.00 0.00 C ATOM 541 NH1 ARG A 38 7.079 -1.776 3.917 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.589 -2.851 5.292 1.00 0.00 N ATOM 0 H ARG A 38 2.351 -3.578 -1.163 1.00 0.00 H new ATOM 0 HA ARG A 38 4.719 -4.531 -2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.142 -4.302 -0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.722 -2.758 -1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.189 -2.231 0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.084 -3.894 1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.731 -3.532 1.407 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.228 -1.859 1.540 1.00 0.00 H new ATOM 0 HE ARG A 38 4.653 -3.744 3.167 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.428 -1.569 2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.529 -1.361 4.733 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.789 -3.472 5.416 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.042 -2.434 6.105 1.00 0.00 H new ATOM 556 N ALA A 39 4.264 -6.730 -1.515 1.00 0.00 N ATOM 557 CA ALA A 39 3.915 -8.046 -0.995 1.00 0.00 C ATOM 558 C ALA A 39 4.382 -8.208 0.448 1.00 0.00 C ATOM 559 O ALA A 39 5.502 -7.832 0.793 1.00 0.00 O ATOM 560 CB ALA A 39 4.514 -9.135 -1.871 1.00 0.00 C ATOM 0 H ALA A 39 4.857 -6.748 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 39 2.829 -8.139 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.245 -10.113 -1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.127 -9.039 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.599 -9.035 -1.885 1.00 0.00 H new ATOM 566 N SER A 40 3.516 -8.768 1.286 1.00 0.00 N ATOM 567 CA SER A 40 3.839 -8.976 2.693 1.00 0.00 C ATOM 568 C SER A 40 4.229 -10.427 2.953 1.00 0.00 C ATOM 569 O SER A 40 3.401 -11.331 2.849 1.00 0.00 O ATOM 570 CB SER A 40 2.649 -8.590 3.573 1.00 0.00 C ATOM 571 OG SER A 40 3.048 -8.410 4.921 1.00 0.00 O ATOM 0 H SER A 40 2.585 -9.086 1.015 1.00 0.00 H new ATOM 0 HA SER A 40 4.688 -8.340 2.943 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.199 -7.671 3.198 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.885 -9.365 3.517 1.00 0.00 H new ATOM 0 HG SER A 40 2.270 -8.162 5.462 1.00 0.00 H new ATOM 577 N GLU A 41 5.497 -10.642 3.290 1.00 0.00 N ATOM 578 CA GLU A 41 5.998 -11.983 3.564 1.00 0.00 C ATOM 579 C GLU A 41 5.529 -12.471 4.932 1.00 0.00 C ATOM 580 O GLU A 41 4.902 -13.524 5.046 1.00 0.00 O ATOM 581 CB GLU A 41 7.527 -12.004 3.499 1.00 0.00 C ATOM 582 CG GLU A 41 8.112 -13.402 3.387 1.00 0.00 C ATOM 583 CD GLU A 41 8.355 -14.044 4.739 1.00 0.00 C ATOM 584 OE1 GLU A 41 7.646 -13.683 5.702 1.00 0.00 O ATOM 585 OE2 GLU A 41 9.253 -14.905 4.834 1.00 0.00 O ATOM 0 H GLU A 41 6.196 -9.904 3.380 1.00 0.00 H new ATOM 0 HA GLU A 41 5.600 -12.654 2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.854 -11.413 2.644 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.927 -11.522 4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.435 -14.030 2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.052 -13.355 2.837 1.00 0.00 H new ATOM 592 N SER A 42 5.839 -11.697 5.967 1.00 0.00 N ATOM 593 CA SER A 42 5.454 -12.051 7.329 1.00 0.00 C ATOM 594 C SER A 42 4.090 -12.734 7.347 1.00 0.00 C ATOM 595 O SER A 42 3.918 -13.785 7.965 1.00 0.00 O ATOM 596 CB SER A 42 5.424 -10.803 8.214 1.00 0.00 C ATOM 597 OG SER A 42 6.729 -10.284 8.407 1.00 0.00 O ATOM 0 H SER A 42 6.355 -10.821 5.889 1.00 0.00 H new ATOM 0 HA SER A 42 6.195 -12.747 7.721 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.791 -10.043 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.980 -11.048 9.179 1.00 0.00 H new ATOM 0 HG SER A 42 6.683 -9.486 8.974 1.00 0.00 H new ATOM 603 N ILE A 43 3.123 -12.128 6.666 1.00 0.00 N ATOM 604 CA ILE A 43 1.774 -12.677 6.603 1.00 0.00 C ATOM 605 C ILE A 43 1.523 -13.365 5.265 1.00 0.00 C ATOM 606 O ILE A 43 2.043 -12.944 4.232 1.00 0.00 O ATOM 607 CB ILE A 43 0.710 -11.584 6.813 1.00 0.00 C ATOM 608 CG1 ILE A 43 0.853 -10.964 8.205 1.00 0.00 C ATOM 609 CG2 ILE A 43 -0.685 -12.159 6.624 1.00 0.00 C ATOM 610 CD1 ILE A 43 0.984 -11.987 9.311 1.00 0.00 C ATOM 0 H ILE A 43 3.249 -11.257 6.150 1.00 0.00 H new ATOM 0 HA ILE A 43 1.694 -13.409 7.407 1.00 0.00 H new ATOM 0 HB ILE A 43 0.862 -10.802 6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.728 -10.314 8.216 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.014 -10.334 8.404 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.426 -11.374 6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.780 -12.558 5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.850 -12.958 7.347 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.081 -11.477 10.269 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.098 -12.622 9.326 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.867 -12.601 9.136 1.00 0.00 H new ATOM 622 N SER A 44 0.720 -14.424 5.292 1.00 0.00 N ATOM 623 CA SER A 44 0.401 -15.172 4.082 1.00 0.00 C ATOM 624 C SER A 44 -0.582 -14.398 3.208 1.00 0.00 C ATOM 625 O SER A 44 -1.435 -13.668 3.713 1.00 0.00 O ATOM 626 CB SER A 44 -0.186 -16.538 4.441 1.00 0.00 C ATOM 627 OG SER A 44 -0.265 -17.375 3.300 1.00 0.00 O ATOM 0 H SER A 44 0.279 -14.783 6.139 1.00 0.00 H new ATOM 0 HA SER A 44 1.324 -15.317 3.521 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.431 -17.014 5.203 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.179 -16.409 4.871 1.00 0.00 H new ATOM 0 HG SER A 44 -0.642 -18.243 3.556 1.00 0.00 H new ATOM 633 N ARG A 45 -0.455 -14.563 1.896 1.00 0.00 N ATOM 634 CA ARG A 45 -1.330 -13.880 0.951 1.00 0.00 C ATOM 635 C ARG A 45 -1.707 -12.493 1.465 1.00 0.00 C ATOM 636 O ARG A 45 -2.861 -12.076 1.366 1.00 0.00 O ATOM 637 CB ARG A 45 -2.595 -14.705 0.706 1.00 0.00 C ATOM 638 CG ARG A 45 -2.329 -16.038 0.025 1.00 0.00 C ATOM 639 CD ARG A 45 -1.933 -15.850 -1.432 1.00 0.00 C ATOM 640 NE ARG A 45 -3.093 -15.854 -2.319 1.00 0.00 N ATOM 641 CZ ARG A 45 -3.103 -15.279 -3.517 1.00 0.00 C ATOM 642 NH1 ARG A 45 -2.022 -14.659 -3.968 1.00 0.00 N ATOM 643 NH2 ARG A 45 -4.197 -15.325 -4.266 1.00 0.00 N ATOM 0 H ARG A 45 0.246 -15.164 1.463 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.790 -13.767 0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.091 -14.886 1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.285 -14.124 0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -1.535 -16.566 0.554 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.221 -16.662 0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.395 -14.908 -1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.248 -16.645 -1.727 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.941 -16.323 -2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.179 -14.622 -3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.033 -14.219 -4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.031 -15.802 -3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.204 -14.884 -5.186 1.00 0.00 H new ATOM 657 N ALA A 46 -0.727 -11.784 2.014 1.00 0.00 N ATOM 658 CA ALA A 46 -0.955 -10.445 2.542 1.00 0.00 C ATOM 659 C ALA A 46 -0.241 -9.394 1.699 1.00 0.00 C ATOM 660 O ALA A 46 0.669 -9.712 0.933 1.00 0.00 O ATOM 661 CB ALA A 46 -0.496 -10.363 3.991 1.00 0.00 C ATOM 0 H ALA A 46 0.234 -12.115 2.105 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.025 -10.242 2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.672 -9.357 4.372 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.055 -11.082 4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.568 -10.592 4.049 1.00 0.00 H new ATOM 667 N TYR A 47 -0.658 -8.142 1.846 1.00 0.00 N ATOM 668 CA TYR A 47 -0.060 -7.044 1.095 1.00 0.00 C ATOM 669 C TYR A 47 -0.051 -5.761 1.920 1.00 0.00 C ATOM 670 O TYR A 47 -0.644 -5.698 2.997 1.00 0.00 O ATOM 671 CB TYR A 47 -0.822 -6.817 -0.212 1.00 0.00 C ATOM 672 CG TYR A 47 -0.355 -7.701 -1.346 1.00 0.00 C ATOM 673 CD1 TYR A 47 -0.837 -8.997 -1.487 1.00 0.00 C ATOM 674 CD2 TYR A 47 0.568 -7.242 -2.277 1.00 0.00 C ATOM 675 CE1 TYR A 47 -0.413 -9.809 -2.521 1.00 0.00 C ATOM 676 CE2 TYR A 47 0.997 -8.046 -3.315 1.00 0.00 C ATOM 677 CZ TYR A 47 0.503 -9.328 -3.433 1.00 0.00 C ATOM 678 OH TYR A 47 0.929 -10.133 -4.465 1.00 0.00 O ATOM 0 H TYR A 47 -1.408 -7.862 2.478 1.00 0.00 H new ATOM 0 HA TYR A 47 0.971 -7.314 0.865 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.884 -6.993 -0.039 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.716 -5.773 -0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.556 -9.376 -0.776 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.957 -6.239 -2.188 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.796 -10.814 -2.615 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.715 -7.673 -4.030 1.00 0.00 H new ATOM 0 HH TYR A 47 1.573 -9.643 -5.018 1.00 0.00 H new ATOM 688 N ALA A 48 0.626 -4.739 1.407 1.00 0.00 N ATOM 689 CA ALA A 48 0.711 -3.456 2.093 1.00 0.00 C ATOM 690 C ALA A 48 0.508 -2.299 1.121 1.00 0.00 C ATOM 691 O ALA A 48 1.325 -2.075 0.227 1.00 0.00 O ATOM 692 CB ALA A 48 2.051 -3.325 2.801 1.00 0.00 C ATOM 0 H ALA A 48 1.124 -4.775 0.518 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.086 -3.415 2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.101 -2.362 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.156 -4.127 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.857 -3.392 2.070 1.00 0.00 H new ATOM 698 N LEU A 49 -0.585 -1.566 1.302 1.00 0.00 N ATOM 699 CA LEU A 49 -0.896 -0.431 0.440 1.00 0.00 C ATOM 700 C LEU A 49 -0.590 0.887 1.144 1.00 0.00 C ATOM 701 O LEU A 49 -1.448 1.454 1.822 1.00 0.00 O ATOM 702 CB LEU A 49 -2.367 -0.470 0.023 1.00 0.00 C ATOM 703 CG LEU A 49 -2.914 0.801 -0.628 1.00 0.00 C ATOM 704 CD1 LEU A 49 -2.232 1.052 -1.965 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.422 0.702 -0.808 1.00 0.00 C ATOM 0 H LEU A 49 -1.271 -1.737 2.038 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.271 -0.500 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.505 -1.298 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.968 -0.690 0.905 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.701 1.643 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.634 1.960 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.159 1.168 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.414 0.208 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.794 1.615 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.657 -0.151 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.897 0.570 0.164 1.00 0.00 H new ATOM 717 N CYS A 50 0.636 1.370 0.976 1.00 0.00 N ATOM 718 CA CYS A 50 1.055 2.623 1.594 1.00 0.00 C ATOM 719 C CYS A 50 0.481 3.819 0.843 1.00 0.00 C ATOM 720 O CYS A 50 0.445 3.834 -0.388 1.00 0.00 O ATOM 721 CB CYS A 50 2.582 2.713 1.630 1.00 0.00 C ATOM 722 SG CYS A 50 3.367 1.500 2.717 1.00 0.00 S ATOM 0 H CYS A 50 1.357 0.913 0.417 1.00 0.00 H new ATOM 0 HA CYS A 50 0.673 2.641 2.615 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.967 2.582 0.619 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.869 3.714 1.953 1.00 0.00 H new ATOM 0 HG CYS A 50 4.657 1.654 2.679 1.00 0.00 H new ATOM 728 N VAL A 51 0.030 4.821 1.591 1.00 0.00 N ATOM 729 CA VAL A 51 -0.544 6.022 0.996 1.00 0.00 C ATOM 730 C VAL A 51 -0.068 7.276 1.721 1.00 0.00 C ATOM 731 O VAL A 51 -0.243 7.410 2.933 1.00 0.00 O ATOM 732 CB VAL A 51 -2.083 5.980 1.021 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.662 7.292 0.513 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.598 4.807 0.201 1.00 0.00 C ATOM 0 H VAL A 51 0.051 4.825 2.611 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.206 6.055 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.408 5.843 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.751 7.243 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.321 8.110 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.330 7.464 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.688 4.793 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.264 4.910 -0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.212 3.876 0.616 1.00 0.00 H new ATOM 744 N LEU A 52 0.534 8.193 0.972 1.00 0.00 N ATOM 745 CA LEU A 52 1.035 9.439 1.543 1.00 0.00 C ATOM 746 C LEU A 52 0.053 10.582 1.303 1.00 0.00 C ATOM 747 O LEU A 52 -0.199 10.968 0.162 1.00 0.00 O ATOM 748 CB LEU A 52 2.397 9.787 0.941 1.00 0.00 C ATOM 749 CG LEU A 52 3.100 11.010 1.533 1.00 0.00 C ATOM 750 CD1 LEU A 52 3.860 10.630 2.794 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.038 11.633 0.509 1.00 0.00 C ATOM 0 H LEU A 52 0.687 8.098 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 52 1.145 9.299 2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.054 8.925 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.268 9.949 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 52 2.343 11.748 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.354 11.512 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.164 10.231 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.608 9.874 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.530 12.502 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.790 10.902 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.467 11.942 -0.367 1.00 0.00 H new ATOM 763 N TYR A 53 -0.496 11.120 2.386 1.00 0.00 N ATOM 764 CA TYR A 53 -1.450 12.219 2.294 1.00 0.00 C ATOM 765 C TYR A 53 -0.966 13.428 3.088 1.00 0.00 C ATOM 766 O TYR A 53 -0.633 14.467 2.517 1.00 0.00 O ATOM 767 CB TYR A 53 -2.822 11.775 2.804 1.00 0.00 C ATOM 768 CG TYR A 53 -3.815 12.908 2.933 1.00 0.00 C ATOM 769 CD1 TYR A 53 -4.364 13.507 1.806 1.00 0.00 C ATOM 770 CD2 TYR A 53 -4.204 13.378 4.181 1.00 0.00 C ATOM 771 CE1 TYR A 53 -5.272 14.543 1.919 1.00 0.00 C ATOM 772 CE2 TYR A 53 -5.112 14.412 4.303 1.00 0.00 C ATOM 773 CZ TYR A 53 -5.643 14.991 3.169 1.00 0.00 C ATOM 774 OH TYR A 53 -6.547 16.022 3.287 1.00 0.00 O ATOM 0 H TYR A 53 -0.297 10.813 3.338 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.535 12.506 1.246 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.227 11.024 2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.702 11.296 3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.077 13.157 0.825 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.790 12.928 5.071 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.689 14.999 1.033 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.405 14.765 5.281 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.701 16.215 4.235 1.00 0.00 H new ATOM 784 N ARG A 54 -0.930 13.285 4.409 1.00 0.00 N ATOM 785 CA ARG A 54 -0.488 14.365 5.283 1.00 0.00 C ATOM 786 C ARG A 54 0.886 14.059 5.873 1.00 0.00 C ATOM 787 O ARG A 54 0.994 13.557 6.991 1.00 0.00 O ATOM 788 CB ARG A 54 -1.500 14.586 6.408 1.00 0.00 C ATOM 789 CG ARG A 54 -2.727 15.374 5.977 1.00 0.00 C ATOM 790 CD ARG A 54 -2.528 16.868 6.178 1.00 0.00 C ATOM 791 NE ARG A 54 -2.954 17.303 7.506 1.00 0.00 N ATOM 792 CZ ARG A 54 -2.489 18.392 8.107 1.00 0.00 C ATOM 793 NH1 ARG A 54 -1.588 19.154 7.502 1.00 0.00 N ATOM 794 NH2 ARG A 54 -2.926 18.723 9.315 1.00 0.00 N ATOM 0 H ARG A 54 -1.202 12.432 4.897 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.414 15.274 4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.818 13.618 6.795 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.010 15.112 7.228 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.940 15.172 4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.594 15.041 6.548 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.476 17.116 6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.090 17.414 5.420 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.647 16.739 7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.250 18.904 6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.233 19.990 7.966 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.620 18.141 9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.568 19.560 9.775 1.00 0.00 H new ATOM 808 N ASN A 55 1.932 14.364 5.113 1.00 0.00 N ATOM 809 CA ASN A 55 3.299 14.120 5.560 1.00 0.00 C ATOM 810 C ASN A 55 3.374 12.861 6.418 1.00 0.00 C ATOM 811 O ASN A 55 4.086 12.823 7.423 1.00 0.00 O ATOM 812 CB ASN A 55 3.821 15.322 6.351 1.00 0.00 C ATOM 813 CG ASN A 55 5.327 15.466 6.257 1.00 0.00 C ATOM 814 OD1 ASN A 55 5.982 14.763 5.487 1.00 0.00 O ATOM 815 ND2 ASN A 55 5.884 16.382 7.041 1.00 0.00 N ATOM 0 H ASN A 55 1.860 14.781 4.185 1.00 0.00 H new ATOM 0 HA ASN A 55 3.923 13.975 4.678 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.348 16.231 5.979 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.533 15.218 7.397 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.894 16.525 7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.302 16.942 7.664 1.00 0.00 H new ATOM 822 N CYS A 56 2.637 11.832 6.015 1.00 0.00 N ATOM 823 CA CYS A 56 2.619 10.571 6.746 1.00 0.00 C ATOM 824 C CYS A 56 2.351 9.400 5.806 1.00 0.00 C ATOM 825 O CYS A 56 1.763 9.571 4.738 1.00 0.00 O ATOM 826 CB CYS A 56 1.558 10.610 7.847 1.00 0.00 C ATOM 827 SG CYS A 56 2.116 11.382 9.384 1.00 0.00 S ATOM 0 H CYS A 56 2.044 11.847 5.185 1.00 0.00 H new ATOM 0 HA CYS A 56 3.599 10.430 7.201 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.686 11.150 7.478 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.235 9.591 8.061 1.00 0.00 H new ATOM 0 HG CYS A 56 3.099 12.194 9.130 1.00 0.00 H new ATOM 833 N VAL A 57 2.788 8.212 6.209 1.00 0.00 N ATOM 834 CA VAL A 57 2.596 7.012 5.402 1.00 0.00 C ATOM 835 C VAL A 57 1.533 6.105 6.011 1.00 0.00 C ATOM 836 O VAL A 57 1.768 5.452 7.028 1.00 0.00 O ATOM 837 CB VAL A 57 3.908 6.220 5.254 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.683 4.964 4.426 1.00 0.00 C ATOM 839 CG2 VAL A 57 4.989 7.091 4.632 1.00 0.00 C ATOM 0 H VAL A 57 3.278 8.054 7.090 1.00 0.00 H new ATOM 0 HA VAL A 57 2.267 7.342 4.417 1.00 0.00 H new ATOM 0 HB VAL A 57 4.243 5.918 6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.621 4.417 4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.942 4.332 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.324 5.241 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.909 6.515 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.665 7.425 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.169 7.958 5.268 1.00 0.00 H new ATOM 849 N TYR A 58 0.364 6.068 5.382 1.00 0.00 N ATOM 850 CA TYR A 58 -0.737 5.242 5.862 1.00 0.00 C ATOM 851 C TYR A 58 -0.635 3.823 5.311 1.00 0.00 C ATOM 852 O TYR A 58 -1.243 3.494 4.292 1.00 0.00 O ATOM 853 CB TYR A 58 -2.079 5.860 5.464 1.00 0.00 C ATOM 854 CG TYR A 58 -2.353 7.191 6.127 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.915 8.379 5.553 1.00 0.00 C ATOM 856 CD2 TYR A 58 -3.048 7.262 7.328 1.00 0.00 C ATOM 857 CE1 TYR A 58 -2.163 9.597 6.156 1.00 0.00 C ATOM 858 CE2 TYR A 58 -3.301 8.475 7.937 1.00 0.00 C ATOM 859 CZ TYR A 58 -2.856 9.640 7.347 1.00 0.00 C ATOM 860 OH TYR A 58 -3.105 10.851 7.952 1.00 0.00 O ATOM 0 H TYR A 58 0.154 6.601 4.538 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.674 5.196 6.949 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.103 5.991 4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.879 5.165 5.719 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.372 8.349 4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.397 6.352 7.794 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.816 10.511 5.697 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -3.844 8.512 8.870 1.00 0.00 H new ATOM 0 HH TYR A 58 -3.605 10.705 8.782 1.00 0.00 H new ATOM 870 N THR A 59 0.140 2.985 5.992 1.00 0.00 N ATOM 871 CA THR A 59 0.324 1.602 5.572 1.00 0.00 C ATOM 872 C THR A 59 -0.912 0.764 5.879 1.00 0.00 C ATOM 873 O THR A 59 -1.283 0.592 7.041 1.00 0.00 O ATOM 874 CB THR A 59 1.546 0.964 6.259 1.00 0.00 C ATOM 875 OG1 THR A 59 2.719 1.743 5.996 1.00 0.00 O ATOM 876 CG2 THR A 59 1.759 -0.461 5.770 1.00 0.00 C ATOM 0 H THR A 59 0.651 3.240 6.837 1.00 0.00 H new ATOM 0 HA THR A 59 0.489 1.619 4.495 1.00 0.00 H new ATOM 0 HB THR A 59 1.359 0.940 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.938 1.692 5.042 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.627 -0.891 6.269 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.877 -1.059 5.997 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.926 -0.455 4.693 1.00 0.00 H new ATOM 884 N TYR A 60 -1.545 0.246 4.833 1.00 0.00 N ATOM 885 CA TYR A 60 -2.741 -0.573 4.992 1.00 0.00 C ATOM 886 C TYR A 60 -2.415 -2.053 4.817 1.00 0.00 C ATOM 887 O TYR A 60 -1.793 -2.451 3.833 1.00 0.00 O ATOM 888 CB TYR A 60 -3.810 -0.152 3.983 1.00 0.00 C ATOM 889 CG TYR A 60 -4.504 1.144 4.340 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.572 1.161 5.228 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.090 2.350 3.789 1.00 0.00 C ATOM 892 CE1 TYR A 60 -6.209 2.342 5.556 1.00 0.00 C ATOM 893 CE2 TYR A 60 -4.719 3.537 4.113 1.00 0.00 C ATOM 894 CZ TYR A 60 -5.779 3.527 4.996 1.00 0.00 C ATOM 895 OH TYR A 60 -6.409 4.706 5.322 1.00 0.00 O ATOM 0 H TYR A 60 -1.250 0.378 3.866 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.123 -0.421 6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.350 -0.049 3.000 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.555 -0.944 3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.910 0.235 5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.262 2.360 3.095 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.039 2.338 6.247 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.383 4.467 3.678 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.984 5.448 4.843 1.00 0.00 H new ATOM 905 N ARG A 61 -2.841 -2.863 5.781 1.00 0.00 N ATOM 906 CA ARG A 61 -2.595 -4.300 5.735 1.00 0.00 C ATOM 907 C ARG A 61 -3.714 -5.019 4.988 1.00 0.00 C ATOM 908 O ARG A 61 -4.858 -5.048 5.441 1.00 0.00 O ATOM 909 CB ARG A 61 -2.470 -4.862 7.152 1.00 0.00 C ATOM 910 CG ARG A 61 -1.065 -4.768 7.723 1.00 0.00 C ATOM 911 CD ARG A 61 -0.809 -5.855 8.755 1.00 0.00 C ATOM 912 NE ARG A 61 -1.451 -5.559 10.033 1.00 0.00 N ATOM 913 CZ ARG A 61 -1.041 -6.057 11.194 1.00 0.00 C ATOM 914 NH1 ARG A 61 0.006 -6.870 11.239 1.00 0.00 N ATOM 915 NH2 ARG A 61 -1.678 -5.741 12.315 1.00 0.00 N ATOM 0 H ARG A 61 -3.358 -2.549 6.603 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.660 -4.467 5.201 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.156 -4.326 7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.782 -5.906 7.148 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.337 -4.852 6.916 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.922 -3.789 8.181 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.178 -6.808 8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.265 -5.966 8.906 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.258 -4.936 10.034 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.499 -7.115 10.380 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.318 -7.251 12.132 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.483 -5.115 12.285 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.362 -6.124 13.206 1.00 0.00 H new ATOM 929 N ILE A 62 -3.375 -5.598 3.841 1.00 0.00 N ATOM 930 CA ILE A 62 -4.350 -6.318 3.031 1.00 0.00 C ATOM 931 C ILE A 62 -4.186 -7.826 3.184 1.00 0.00 C ATOM 932 O ILE A 62 -3.339 -8.439 2.533 1.00 0.00 O ATOM 933 CB ILE A 62 -4.227 -5.948 1.541 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.471 -4.451 1.343 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.207 -6.764 0.711 1.00 0.00 C ATOM 936 CD1 ILE A 62 -3.794 -3.886 0.114 1.00 0.00 C ATOM 0 H ILE A 62 -2.432 -5.583 3.452 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.336 -6.024 3.390 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.216 -6.179 1.206 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.544 -4.272 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.116 -3.914 2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.109 -6.492 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.991 -7.825 0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.224 -6.560 1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.010 -2.820 0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.717 -4.033 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.166 -4.397 -0.774 1.00 0.00 H new ATOM 948 N LEU A 63 -5.002 -8.420 4.048 1.00 0.00 N ATOM 949 CA LEU A 63 -4.949 -9.858 4.286 1.00 0.00 C ATOM 950 C LEU A 63 -5.918 -10.598 3.370 1.00 0.00 C ATOM 951 O LEU A 63 -6.847 -10.016 2.808 1.00 0.00 O ATOM 952 CB LEU A 63 -5.277 -10.165 5.749 1.00 0.00 C ATOM 953 CG LEU A 63 -4.086 -10.216 6.707 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.508 -8.825 6.914 1.00 0.00 C ATOM 955 CD2 LEU A 63 -4.499 -10.828 8.038 1.00 0.00 C ATOM 0 H LEU A 63 -5.708 -7.928 4.595 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.938 -10.200 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.976 -9.411 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.793 -11.124 5.791 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.314 -10.845 6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.662 -8.881 7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.175 -8.423 5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.273 -8.172 7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.639 -10.857 8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.288 -10.225 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.865 -11.841 7.874 1.00 0.00 H new ATOM 967 N PRO A 64 -5.701 -11.912 3.215 1.00 0.00 N ATOM 968 CA PRO A 64 -6.547 -12.760 2.370 1.00 0.00 C ATOM 969 C PRO A 64 -7.939 -12.960 2.958 1.00 0.00 C ATOM 970 O PRO A 64 -8.093 -13.135 4.166 1.00 0.00 O ATOM 971 CB PRO A 64 -5.788 -14.089 2.329 1.00 0.00 C ATOM 972 CG PRO A 64 -4.982 -14.104 3.582 1.00 0.00 C ATOM 973 CD PRO A 64 -4.613 -12.672 3.854 1.00 0.00 C ATOM 0 HA PRO A 64 -6.715 -12.318 1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.474 -14.935 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.150 -14.154 1.447 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.555 -14.523 4.409 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.091 -14.721 3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.555 -12.468 4.923 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.642 -12.419 3.428 1.00 0.00 H new ATOM 981 N ASN A 65 -8.950 -12.933 2.096 1.00 0.00 N ATOM 982 CA ASN A 65 -10.331 -13.111 2.531 1.00 0.00 C ATOM 983 C ASN A 65 -10.699 -14.591 2.579 1.00 0.00 C ATOM 984 O ASN A 65 -9.917 -15.449 2.172 1.00 0.00 O ATOM 985 CB ASN A 65 -11.283 -12.367 1.593 1.00 0.00 C ATOM 986 CG ASN A 65 -12.694 -12.289 2.145 1.00 0.00 C ATOM 987 OD1 ASN A 65 -13.651 -12.703 1.491 1.00 0.00 O ATOM 988 ND2 ASN A 65 -12.828 -11.756 3.353 1.00 0.00 N ATOM 0 H ASN A 65 -8.839 -12.790 1.092 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.426 -12.698 3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.906 -11.359 1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.301 -12.869 0.625 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.753 -11.677 3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.006 -11.426 3.859 1.00 0.00 H new ATOM 995 N GLU A 66 -11.897 -14.881 3.078 1.00 0.00 N ATOM 996 CA GLU A 66 -12.368 -16.258 3.179 1.00 0.00 C ATOM 997 C GLU A 66 -12.247 -16.974 1.837 1.00 0.00 C ATOM 998 O GLU A 66 -11.799 -18.119 1.771 1.00 0.00 O ATOM 999 CB GLU A 66 -13.822 -16.288 3.656 1.00 0.00 C ATOM 1000 CG GLU A 66 -14.778 -15.540 2.742 1.00 0.00 C ATOM 1001 CD GLU A 66 -16.193 -15.500 3.286 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -16.389 -14.945 4.388 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -17.104 -16.023 2.611 1.00 0.00 O ATOM 0 H GLU A 66 -12.558 -14.182 3.418 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.743 -16.777 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.147 -17.325 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.877 -15.857 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.418 -14.521 2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.783 -16.015 1.761 1.00 0.00 H new ATOM 1010 N ASP A 67 -12.648 -16.292 0.770 1.00 0.00 N ATOM 1011 CA ASP A 67 -12.584 -16.861 -0.570 1.00 0.00 C ATOM 1012 C ASP A 67 -11.238 -16.565 -1.223 1.00 0.00 C ATOM 1013 O ASP A 67 -11.151 -16.391 -2.438 1.00 0.00 O ATOM 1014 CB ASP A 67 -13.717 -16.309 -1.437 1.00 0.00 C ATOM 1015 CG ASP A 67 -15.022 -17.052 -1.226 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -15.208 -18.115 -1.854 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -15.858 -16.569 -0.433 1.00 0.00 O ATOM 0 H ASP A 67 -13.021 -15.343 0.808 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.696 -17.942 -0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.863 -15.253 -1.210 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.431 -16.373 -2.487 1.00 0.00 H new ATOM 1022 N ASP A 68 -10.190 -16.509 -0.407 1.00 0.00 N ATOM 1023 CA ASP A 68 -8.848 -16.234 -0.905 1.00 0.00 C ATOM 1024 C ASP A 68 -8.839 -14.987 -1.784 1.00 0.00 C ATOM 1025 O ASP A 68 -8.163 -14.944 -2.812 1.00 0.00 O ATOM 1026 CB ASP A 68 -8.317 -17.433 -1.693 1.00 0.00 C ATOM 1027 CG ASP A 68 -6.802 -17.485 -1.717 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -6.196 -16.762 -2.536 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -6.222 -18.248 -0.917 1.00 0.00 O ATOM 0 H ASP A 68 -10.245 -16.650 0.602 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.199 -16.057 -0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.702 -18.353 -1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.692 -17.387 -2.715 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.594 -13.975 -1.373 1.00 0.00 N ATOM 1035 CA LYS A 69 -9.674 -12.726 -2.122 1.00 0.00 C ATOM 1036 C LYS A 69 -8.822 -11.644 -1.468 1.00 0.00 C ATOM 1037 O LYS A 69 -8.317 -11.823 -0.359 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.128 -12.257 -2.217 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.062 -13.289 -2.824 1.00 0.00 C ATOM 1040 CD LYS A 69 -11.995 -13.277 -4.342 1.00 0.00 C ATOM 1041 CE LYS A 69 -12.467 -14.598 -4.932 1.00 0.00 C ATOM 1042 NZ LYS A 69 -11.359 -15.588 -5.032 1.00 0.00 N ATOM 0 H LYS A 69 -10.160 -13.995 -0.525 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.291 -12.908 -3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.484 -12.000 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.169 -11.346 -2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.799 -14.280 -2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.084 -13.090 -2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.611 -12.464 -4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.971 -13.080 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.265 -15.008 -4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.889 -14.424 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.709 -16.456 -5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.586 -15.188 -5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.007 -15.812 -4.079 1.00 0.00 H new ATOM 1056 N PHE A 70 -8.666 -10.520 -2.161 1.00 0.00 N ATOM 1057 CA PHE A 70 -7.874 -9.409 -1.646 1.00 0.00 C ATOM 1058 C PHE A 70 -8.774 -8.253 -1.218 1.00 0.00 C ATOM 1059 O PHE A 70 -9.710 -7.883 -1.927 1.00 0.00 O ATOM 1060 CB PHE A 70 -6.880 -8.930 -2.706 1.00 0.00 C ATOM 1061 CG PHE A 70 -5.752 -9.891 -2.947 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -4.664 -9.933 -2.090 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -5.778 -10.754 -4.032 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -3.624 -10.817 -2.310 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -4.741 -11.639 -4.257 1.00 0.00 C ATOM 1066 CZ PHE A 70 -3.664 -11.672 -3.394 1.00 0.00 C ATOM 0 H PHE A 70 -9.077 -10.355 -3.080 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.323 -9.761 -0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.412 -8.764 -3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.468 -7.969 -2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.628 -9.267 -1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.619 -10.734 -4.709 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.781 -10.839 -1.635 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.773 -12.304 -5.107 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.854 -12.365 -3.566 1.00 0.00 H new ATOM 1076 N THR A 71 -8.483 -7.686 -0.051 1.00 0.00 N ATOM 1077 CA THR A 71 -9.265 -6.574 0.475 1.00 0.00 C ATOM 1078 C THR A 71 -8.544 -5.893 1.632 1.00 0.00 C ATOM 1079 O THR A 71 -7.996 -6.558 2.512 1.00 0.00 O ATOM 1080 CB THR A 71 -10.654 -7.040 0.952 1.00 0.00 C ATOM 1081 OG1 THR A 71 -11.445 -5.909 1.333 1.00 0.00 O ATOM 1082 CG2 THR A 71 -10.528 -7.997 2.128 1.00 0.00 C ATOM 0 H THR A 71 -7.711 -7.979 0.548 1.00 0.00 H new ATOM 0 HA THR A 71 -9.390 -5.862 -0.341 1.00 0.00 H new ATOM 0 HB THR A 71 -11.141 -7.563 0.129 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.327 -6.213 1.633 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.521 -8.313 2.448 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.949 -8.870 1.826 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.024 -7.495 2.953 1.00 0.00 H new ATOM 1090 N VAL A 72 -8.548 -4.564 1.626 1.00 0.00 N ATOM 1091 CA VAL A 72 -7.896 -3.793 2.678 1.00 0.00 C ATOM 1092 C VAL A 72 -8.566 -4.027 4.027 1.00 0.00 C ATOM 1093 O VAL A 72 -9.771 -3.829 4.175 1.00 0.00 O ATOM 1094 CB VAL A 72 -7.915 -2.286 2.363 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.083 -1.517 3.378 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.415 -2.031 0.949 1.00 0.00 C ATOM 0 H VAL A 72 -8.995 -3.999 0.904 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.862 -4.134 2.725 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.944 -1.932 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.109 -0.454 3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.491 -1.674 4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.053 -1.871 3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.435 -0.961 0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.394 -2.400 0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.057 -2.549 0.237 1.00 0.00 H new ATOM 1106 N GLN A 73 -7.775 -4.449 5.009 1.00 0.00 N ATOM 1107 CA GLN A 73 -8.292 -4.711 6.347 1.00 0.00 C ATOM 1108 C GLN A 73 -9.165 -3.557 6.828 1.00 0.00 C ATOM 1109 O GLN A 73 -10.206 -3.770 7.448 1.00 0.00 O ATOM 1110 CB GLN A 73 -7.139 -4.938 7.327 1.00 0.00 C ATOM 1111 CG GLN A 73 -6.686 -6.387 7.408 1.00 0.00 C ATOM 1112 CD GLN A 73 -7.660 -7.260 8.174 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -8.099 -6.908 9.269 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -8.004 -8.407 7.600 1.00 0.00 N ATOM 0 H GLN A 73 -6.774 -4.617 4.903 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.904 -5.612 6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.293 -4.318 7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -7.445 -4.606 8.319 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.565 -6.783 6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.708 -6.432 7.888 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.616 -8.659 6.691 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.657 -9.036 8.068 1.00 0.00 H new ATOM 1123 N ALA A 74 -8.732 -2.334 6.540 1.00 0.00 N ATOM 1124 CA ALA A 74 -9.474 -1.146 6.942 1.00 0.00 C ATOM 1125 C ALA A 74 -10.978 -1.384 6.858 1.00 0.00 C ATOM 1126 O ALA A 74 -11.475 -1.940 5.878 1.00 0.00 O ATOM 1127 CB ALA A 74 -9.077 0.043 6.078 1.00 0.00 C ATOM 0 H ALA A 74 -7.871 -2.140 6.029 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.224 -0.926 7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.639 0.923 6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.010 0.235 6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.297 -0.177 5.033 1.00 0.00 H new ATOM 1133 N SER A 75 -11.698 -0.960 7.892 1.00 0.00 N ATOM 1134 CA SER A 75 -13.146 -1.132 7.936 1.00 0.00 C ATOM 1135 C SER A 75 -13.823 -0.322 6.835 1.00 0.00 C ATOM 1136 O SER A 75 -13.332 0.733 6.435 1.00 0.00 O ATOM 1137 CB SER A 75 -13.689 -0.709 9.303 1.00 0.00 C ATOM 1138 OG SER A 75 -14.949 -1.305 9.557 1.00 0.00 O ATOM 0 H SER A 75 -11.303 -0.495 8.710 1.00 0.00 H new ATOM 0 HA SER A 75 -13.367 -2.187 7.775 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.984 -0.996 10.083 1.00 0.00 H new ATOM 0 HB3 SER A 75 -13.782 0.376 9.341 1.00 0.00 H new ATOM 0 HG SER A 75 -15.274 -1.021 10.437 1.00 0.00 H new ATOM 1144 N GLU A 76 -14.954 -0.825 6.350 1.00 0.00 N ATOM 1145 CA GLU A 76 -15.699 -0.149 5.294 1.00 0.00 C ATOM 1146 C GLU A 76 -17.183 -0.068 5.641 1.00 0.00 C ATOM 1147 O GLU A 76 -17.796 0.995 5.551 1.00 0.00 O ATOM 1148 CB GLU A 76 -15.514 -0.878 3.962 1.00 0.00 C ATOM 1149 CG GLU A 76 -15.843 -0.024 2.749 1.00 0.00 C ATOM 1150 CD GLU A 76 -15.691 -0.780 1.444 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -16.179 -1.927 1.362 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -15.084 -0.225 0.504 1.00 0.00 O ATOM 0 H GLU A 76 -15.374 -1.697 6.671 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.310 0.865 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.482 -1.221 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.146 -1.766 3.953 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.866 0.343 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.191 0.849 2.737 1.00 0.00 H new ATOM 1159 N GLY A 77 -17.755 -1.202 6.037 1.00 0.00 N ATOM 1160 CA GLY A 77 -19.162 -1.239 6.390 1.00 0.00 C ATOM 1161 C GLY A 77 -19.621 -2.625 6.796 1.00 0.00 C ATOM 1162 O GLY A 77 -18.944 -3.312 7.560 1.00 0.00 O ATOM 0 H GLY A 77 -17.269 -2.095 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.346 -0.544 7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -19.755 -0.897 5.542 1.00 0.00 H new ATOM 1166 N VAL A 78 -20.777 -3.037 6.286 1.00 0.00 N ATOM 1167 CA VAL A 78 -21.327 -4.350 6.600 1.00 0.00 C ATOM 1168 C VAL A 78 -20.544 -5.455 5.901 1.00 0.00 C ATOM 1169 O VAL A 78 -20.229 -6.482 6.502 1.00 0.00 O ATOM 1170 CB VAL A 78 -22.809 -4.450 6.193 1.00 0.00 C ATOM 1171 CG1 VAL A 78 -23.348 -5.844 6.474 1.00 0.00 C ATOM 1172 CG2 VAL A 78 -23.633 -3.395 6.917 1.00 0.00 C ATOM 0 H VAL A 78 -21.351 -2.480 5.653 1.00 0.00 H new ATOM 0 HA VAL A 78 -21.245 -4.477 7.679 1.00 0.00 H new ATOM 0 HB VAL A 78 -22.886 -4.266 5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -24.396 -5.895 6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -22.776 -6.577 5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -23.259 -6.061 7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -24.678 -3.480 6.617 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -23.551 -3.545 7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -23.262 -2.403 6.659 1.00 0.00 H new ATOM 1182 N SER A 79 -20.232 -5.238 4.627 1.00 0.00 N ATOM 1183 CA SER A 79 -19.488 -6.218 3.844 1.00 0.00 C ATOM 1184 C SER A 79 -18.556 -5.527 2.854 1.00 0.00 C ATOM 1185 O SER A 79 -18.983 -4.675 2.074 1.00 0.00 O ATOM 1186 CB SER A 79 -20.451 -7.142 3.097 1.00 0.00 C ATOM 1187 OG SER A 79 -19.747 -8.151 2.394 1.00 0.00 O ATOM 0 H SER A 79 -20.483 -4.392 4.115 1.00 0.00 H new ATOM 0 HA SER A 79 -18.884 -6.813 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 79 -21.141 -7.601 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 79 -21.051 -6.559 2.399 1.00 0.00 H new ATOM 0 HG SER A 79 -20.385 -8.730 1.926 1.00 0.00 H new ATOM 1193 N MET A 80 -17.281 -5.900 2.891 1.00 0.00 N ATOM 1194 CA MET A 80 -16.288 -5.317 1.996 1.00 0.00 C ATOM 1195 C MET A 80 -16.251 -6.063 0.666 1.00 0.00 C ATOM 1196 O MET A 80 -16.237 -7.293 0.634 1.00 0.00 O ATOM 1197 CB MET A 80 -14.905 -5.344 2.648 1.00 0.00 C ATOM 1198 CG MET A 80 -14.800 -4.472 3.889 1.00 0.00 C ATOM 1199 SD MET A 80 -13.093 -4.182 4.392 1.00 0.00 S ATOM 1200 CE MET A 80 -12.579 -5.843 4.821 1.00 0.00 C ATOM 0 H MET A 80 -16.911 -6.603 3.531 1.00 0.00 H new ATOM 0 HA MET A 80 -16.571 -4.282 1.804 1.00 0.00 H new ATOM 0 HB2 MET A 80 -14.658 -6.372 2.914 1.00 0.00 H new ATOM 0 HB3 MET A 80 -14.163 -5.016 1.920 1.00 0.00 H new ATOM 0 HG2 MET A 80 -15.286 -3.515 3.698 1.00 0.00 H new ATOM 0 HG3 MET A 80 -15.340 -4.946 4.708 1.00 0.00 H new ATOM 0 HE1 MET A 80 -11.593 -5.810 5.285 1.00 0.00 H new ATOM 0 HE2 MET A 80 -13.295 -6.276 5.520 1.00 0.00 H new ATOM 0 HE3 MET A 80 -12.536 -6.455 3.920 1.00 0.00 H new ATOM 1210 N ARG A 81 -16.237 -5.310 -0.429 1.00 0.00 N ATOM 1211 CA ARG A 81 -16.203 -5.900 -1.762 1.00 0.00 C ATOM 1212 C ARG A 81 -14.858 -6.572 -2.025 1.00 0.00 C ATOM 1213 O ARG A 81 -13.844 -5.901 -2.213 1.00 0.00 O ATOM 1214 CB ARG A 81 -16.467 -4.831 -2.823 1.00 0.00 C ATOM 1215 CG ARG A 81 -17.942 -4.637 -3.137 1.00 0.00 C ATOM 1216 CD ARG A 81 -18.149 -4.171 -4.570 1.00 0.00 C ATOM 1217 NE ARG A 81 -19.564 -4.000 -4.891 1.00 0.00 N ATOM 1218 CZ ARG A 81 -20.007 -3.197 -5.852 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -19.151 -2.497 -6.583 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -21.310 -3.094 -6.083 1.00 0.00 N ATOM 0 H ARG A 81 -16.249 -4.290 -0.419 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.985 -6.657 -1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -16.048 -3.883 -2.484 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.942 -5.102 -3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -18.476 -5.574 -2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -18.368 -3.906 -2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -17.626 -3.227 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.707 -4.895 -5.254 1.00 0.00 H new ATOM 0 HE ARG A 81 -20.249 -4.526 -4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.149 -2.574 -6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.494 -1.881 -7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -21.971 -3.631 -5.523 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -21.650 -2.477 -6.821 1.00 0.00 H new ATOM 1234 N PHE A 82 -14.858 -7.901 -2.035 1.00 0.00 N ATOM 1235 CA PHE A 82 -13.639 -8.664 -2.274 1.00 0.00 C ATOM 1236 C PHE A 82 -13.381 -8.824 -3.769 1.00 0.00 C ATOM 1237 O PHE A 82 -14.201 -9.384 -4.496 1.00 0.00 O ATOM 1238 CB PHE A 82 -13.735 -10.040 -1.612 1.00 0.00 C ATOM 1239 CG PHE A 82 -14.269 -9.994 -0.208 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -13.428 -9.720 0.858 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -15.611 -10.225 0.044 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -13.916 -9.676 2.151 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -16.105 -10.183 1.334 1.00 0.00 C ATOM 1244 CZ PHE A 82 -15.256 -9.909 2.389 1.00 0.00 C ATOM 0 H PHE A 82 -15.689 -8.472 -1.880 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.805 -8.115 -1.836 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.378 -10.681 -2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -12.746 -10.499 -1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.379 -9.539 0.677 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.279 -10.440 -0.777 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -13.250 -9.460 2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.154 -10.364 1.517 1.00 0.00 H new ATOM 0 HZ PHE A 82 -15.640 -9.877 3.398 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.235 -8.326 -4.222 1.00 0.00 N ATOM 1255 CA PHE A 83 -11.868 -8.412 -5.631 1.00 0.00 C ATOM 1256 C PHE A 83 -10.819 -9.498 -5.855 1.00 0.00 C ATOM 1257 O PHE A 83 -9.817 -9.567 -5.143 1.00 0.00 O ATOM 1258 CB PHE A 83 -11.336 -7.064 -6.124 1.00 0.00 C ATOM 1259 CG PHE A 83 -12.114 -5.888 -5.607 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -11.869 -5.382 -4.340 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -13.089 -5.288 -6.387 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -12.583 -4.299 -3.862 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -13.805 -4.205 -5.914 1.00 0.00 C ATOM 1264 CZ PHE A 83 -13.552 -3.710 -4.649 1.00 0.00 C ATOM 0 H PHE A 83 -11.545 -7.859 -3.634 1.00 0.00 H new ATOM 0 HA PHE A 83 -12.762 -8.672 -6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.294 -6.961 -5.822 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -11.355 -7.051 -7.214 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -11.112 -5.839 -3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.292 -5.671 -7.376 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -12.383 -3.914 -2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.562 -3.746 -6.533 1.00 0.00 H new ATOM 0 HZ PHE A 83 -14.111 -2.864 -4.277 1.00 0.00 H new ATOM 1274 N THR A 84 -11.058 -10.346 -6.851 1.00 0.00 N ATOM 1275 CA THR A 84 -10.137 -11.430 -7.169 1.00 0.00 C ATOM 1276 C THR A 84 -8.760 -10.890 -7.539 1.00 0.00 C ATOM 1277 O THR A 84 -7.750 -11.285 -6.957 1.00 0.00 O ATOM 1278 CB THR A 84 -10.666 -12.295 -8.328 1.00 0.00 C ATOM 1279 OG1 THR A 84 -11.947 -12.837 -7.990 1.00 0.00 O ATOM 1280 CG2 THR A 84 -9.699 -13.425 -8.646 1.00 0.00 C ATOM 0 H THR A 84 -11.882 -10.303 -7.451 1.00 0.00 H new ATOM 0 HA THR A 84 -10.054 -12.047 -6.274 1.00 0.00 H new ATOM 0 HB THR A 84 -10.761 -11.662 -9.210 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.277 -13.384 -8.733 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.095 -14.022 -9.468 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.734 -13.008 -8.932 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.575 -14.056 -7.766 1.00 0.00 H new ATOM 1288 N LYS A 85 -8.727 -9.985 -8.511 1.00 0.00 N ATOM 1289 CA LYS A 85 -7.474 -9.389 -8.959 1.00 0.00 C ATOM 1290 C LYS A 85 -7.048 -8.256 -8.031 1.00 0.00 C ATOM 1291 O LYS A 85 -7.866 -7.426 -7.631 1.00 0.00 O ATOM 1292 CB LYS A 85 -7.618 -8.863 -10.389 1.00 0.00 C ATOM 1293 CG LYS A 85 -7.711 -9.962 -11.434 1.00 0.00 C ATOM 1294 CD LYS A 85 -6.338 -10.357 -11.953 1.00 0.00 C ATOM 1295 CE LYS A 85 -6.301 -11.817 -12.376 1.00 0.00 C ATOM 1296 NZ LYS A 85 -4.917 -12.269 -12.687 1.00 0.00 N ATOM 0 H LYS A 85 -9.554 -9.648 -9.004 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.705 -10.162 -8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.510 -8.239 -10.450 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.765 -8.224 -10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.203 -10.834 -11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.331 -9.624 -12.264 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.072 -9.725 -12.800 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.591 -10.182 -11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.715 -12.436 -11.580 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.934 -11.958 -13.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.934 -13.269 -12.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.531 -11.695 -13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.318 -12.159 -11.844 1.00 0.00 H new ATOM 1310 N LEU A 86 -5.764 -8.226 -7.692 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.228 -7.193 -6.812 1.00 0.00 C ATOM 1312 C LEU A 86 -5.463 -5.804 -7.396 1.00 0.00 C ATOM 1313 O LEU A 86 -5.788 -4.862 -6.673 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.733 -7.416 -6.582 1.00 0.00 C ATOM 1315 CG LEU A 86 -3.174 -6.905 -5.253 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.427 -5.413 -5.107 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -3.787 -7.669 -4.088 1.00 0.00 C ATOM 0 H LEU A 86 -5.074 -8.905 -8.013 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.749 -7.258 -5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.531 -8.485 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.185 -6.935 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.097 -7.073 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.023 -5.067 -4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.940 -4.880 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.500 -5.221 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.378 -7.292 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.868 -7.533 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.554 -8.729 -4.185 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.299 -5.685 -8.709 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.497 -4.411 -9.391 1.00 0.00 C ATOM 1331 C ASP A 87 -6.958 -3.980 -9.325 1.00 0.00 C ATOM 1332 O ASP A 87 -7.270 -2.880 -8.868 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.049 -4.515 -10.850 1.00 0.00 C ATOM 1334 CG ASP A 87 -5.602 -3.394 -11.707 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -6.783 -3.477 -12.105 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -4.854 -2.432 -11.979 1.00 0.00 O ATOM 0 H ASP A 87 -5.030 -6.454 -9.322 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.892 -3.659 -8.885 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.960 -4.499 -10.895 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.371 -5.473 -11.258 1.00 0.00 H new ATOM 1341 N GLN A 88 -7.849 -4.852 -9.784 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.278 -4.560 -9.778 1.00 0.00 C ATOM 1343 C GLN A 88 -9.683 -3.851 -8.490 1.00 0.00 C ATOM 1344 O GLN A 88 -10.476 -2.909 -8.510 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.084 -5.850 -9.939 1.00 0.00 C ATOM 1346 CG GLN A 88 -9.917 -6.506 -11.300 1.00 0.00 C ATOM 1347 CD GLN A 88 -10.683 -5.787 -12.393 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -10.099 -5.078 -13.214 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -11.999 -5.966 -12.410 1.00 0.00 N ATOM 0 H GLN A 88 -7.607 -5.767 -10.165 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.492 -3.899 -10.618 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.782 -6.556 -9.165 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.140 -5.632 -9.777 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.859 -6.531 -11.560 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.256 -7.540 -11.244 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.442 -6.562 -11.711 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.567 -5.507 -13.122 1.00 0.00 H new ATOM 1358 N LEU A 89 -9.134 -4.309 -7.370 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.438 -3.719 -6.072 1.00 0.00 C ATOM 1360 C LEU A 89 -8.966 -2.270 -6.008 1.00 0.00 C ATOM 1361 O LEU A 89 -9.744 -1.366 -5.701 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.781 -4.530 -4.954 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.797 -3.894 -3.563 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.807 -4.967 -2.486 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.603 -2.968 -3.386 1.00 0.00 C ATOM 0 H LEU A 89 -8.476 -5.087 -7.335 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.520 -3.736 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.279 -5.498 -4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.745 -4.721 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.707 -3.302 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.818 -4.496 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.695 -5.589 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.915 -5.586 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.631 -2.525 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.681 -3.537 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.641 -2.178 -4.136 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.688 -2.056 -6.303 1.00 0.00 N ATOM 1378 CA ILE A 90 -7.114 -0.716 -6.283 1.00 0.00 C ATOM 1379 C ILE A 90 -7.965 0.259 -7.089 1.00 0.00 C ATOM 1380 O ILE A 90 -8.154 1.408 -6.692 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.678 -0.710 -6.841 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.781 -1.627 -6.008 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -5.124 0.706 -6.862 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.815 -1.324 -4.526 1.00 0.00 C ATOM 0 H ILE A 90 -7.031 -2.793 -6.559 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.091 -0.398 -5.241 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.699 -1.085 -7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.086 -2.661 -6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.755 -1.540 -6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.109 0.694 -7.259 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.753 1.333 -7.494 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.113 1.107 -5.849 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.156 -2.013 -3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.481 -0.300 -4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.833 -1.440 -4.154 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.477 -0.209 -8.223 1.00 0.00 N ATOM 1397 CA GLU A 91 -9.309 0.622 -9.085 1.00 0.00 C ATOM 1398 C GLU A 91 -10.536 1.129 -8.333 1.00 0.00 C ATOM 1399 O GLU A 91 -10.967 2.267 -8.519 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.745 -0.164 -10.323 1.00 0.00 C ATOM 1401 CG GLU A 91 -8.674 -0.252 -11.397 1.00 0.00 C ATOM 1402 CD GLU A 91 -9.246 -0.554 -12.769 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -9.582 -1.729 -13.026 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -9.357 0.385 -13.585 1.00 0.00 O ATOM 0 H GLU A 91 -8.330 -1.158 -8.566 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.716 1.481 -9.399 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.029 -1.172 -10.021 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.634 0.304 -10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.125 0.689 -11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.958 -1.028 -11.127 1.00 0.00 H new ATOM 1411 N PHE A 92 -11.095 0.275 -7.482 1.00 0.00 N ATOM 1412 CA PHE A 92 -12.274 0.634 -6.701 1.00 0.00 C ATOM 1413 C PHE A 92 -11.961 1.775 -5.738 1.00 0.00 C ATOM 1414 O PHE A 92 -12.746 2.713 -5.594 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.785 -0.580 -5.923 1.00 0.00 C ATOM 1416 CG PHE A 92 -13.594 -0.217 -4.710 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -14.863 0.322 -4.843 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -13.084 -0.415 -3.437 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -15.610 0.657 -3.729 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -13.826 -0.083 -2.320 1.00 0.00 C ATOM 1421 CZ PHE A 92 -15.090 0.455 -2.466 1.00 0.00 C ATOM 0 H PHE A 92 -10.751 -0.671 -7.315 1.00 0.00 H new ATOM 0 HA PHE A 92 -13.049 0.967 -7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.394 -1.196 -6.585 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.935 -1.188 -5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.274 0.482 -5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.096 -0.833 -3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.598 1.076 -3.846 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -13.418 -0.244 -1.333 1.00 0.00 H new ATOM 0 HZ PHE A 92 -15.670 0.717 -1.594 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.810 1.687 -5.080 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.395 2.710 -4.128 1.00 0.00 C ATOM 1433 C TYR A 93 -9.948 3.978 -4.851 1.00 0.00 C ATOM 1434 O TYR A 93 -10.200 5.091 -4.390 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.260 2.185 -3.247 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.714 1.185 -2.208 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -9.865 -0.159 -2.528 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -9.990 1.583 -0.906 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -10.280 -1.076 -1.582 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -10.404 0.673 0.047 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.548 -0.656 -0.296 1.00 0.00 C ATOM 1442 OH TYR A 93 -10.960 -1.566 0.649 1.00 0.00 O ATOM 0 H TYR A 93 -10.149 0.918 -5.189 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.251 2.955 -3.499 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.504 1.720 -3.881 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.782 3.026 -2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.654 -0.492 -3.533 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.879 2.622 -0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -10.394 -2.116 -1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.614 1.000 1.055 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.105 -1.108 1.503 1.00 0.00 H new ATOM 1452 N LYS A 94 -9.282 3.800 -5.987 1.00 0.00 N ATOM 1453 CA LYS A 94 -8.800 4.927 -6.777 1.00 0.00 C ATOM 1454 C LYS A 94 -9.765 6.105 -6.688 1.00 0.00 C ATOM 1455 O LYS A 94 -9.348 7.264 -6.688 1.00 0.00 O ATOM 1456 CB LYS A 94 -8.619 4.511 -8.238 1.00 0.00 C ATOM 1457 CG LYS A 94 -7.279 3.856 -8.523 1.00 0.00 C ATOM 1458 CD LYS A 94 -7.032 3.716 -10.016 1.00 0.00 C ATOM 1459 CE LYS A 94 -5.757 2.937 -10.299 1.00 0.00 C ATOM 1460 NZ LYS A 94 -5.660 2.534 -11.730 1.00 0.00 N ATOM 0 H LYS A 94 -9.064 2.885 -6.381 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.837 5.238 -6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.417 3.821 -8.512 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.726 5.390 -8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.481 4.449 -8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.247 2.872 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.879 3.211 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.964 4.705 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.893 3.546 -10.034 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.727 2.048 -9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.831 1.920 -11.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.520 2.018 -12.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.561 3.382 -12.324 1.00 0.00 H new ATOM 1474 N LYS A 95 -11.056 5.802 -6.610 1.00 0.00 N ATOM 1475 CA LYS A 95 -12.081 6.836 -6.518 1.00 0.00 C ATOM 1476 C LYS A 95 -11.765 7.816 -5.392 1.00 0.00 C ATOM 1477 O LYS A 95 -10.769 7.662 -4.685 1.00 0.00 O ATOM 1478 CB LYS A 95 -13.454 6.202 -6.286 1.00 0.00 C ATOM 1479 CG LYS A 95 -14.184 5.846 -7.569 1.00 0.00 C ATOM 1480 CD LYS A 95 -14.656 7.089 -8.305 1.00 0.00 C ATOM 1481 CE LYS A 95 -14.878 6.810 -9.784 1.00 0.00 C ATOM 1482 NZ LYS A 95 -15.910 7.710 -10.369 1.00 0.00 N ATOM 0 H LYS A 95 -11.418 4.848 -6.609 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.095 7.384 -7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.332 5.301 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.069 6.890 -5.707 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -13.524 5.268 -8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.040 5.212 -7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -15.583 7.448 -7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.918 7.883 -8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.939 6.936 -10.322 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.184 5.772 -9.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.032 7.488 -11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.813 7.572 -9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.606 8.699 -10.266 1.00 0.00 H new ATOM 1496 N GLU A 96 -12.620 8.821 -5.232 1.00 0.00 N ATOM 1497 CA GLU A 96 -12.430 9.825 -4.191 1.00 0.00 C ATOM 1498 C GLU A 96 -12.209 9.166 -2.833 1.00 0.00 C ATOM 1499 O GLU A 96 -12.164 7.941 -2.726 1.00 0.00 O ATOM 1500 CB GLU A 96 -13.641 10.759 -4.126 1.00 0.00 C ATOM 1501 CG GLU A 96 -14.880 10.108 -3.535 1.00 0.00 C ATOM 1502 CD GLU A 96 -15.191 8.764 -4.166 1.00 0.00 C ATOM 1503 OE1 GLU A 96 -15.394 8.721 -5.398 1.00 0.00 O ATOM 1504 OE2 GLU A 96 -15.232 7.757 -3.429 1.00 0.00 O ATOM 0 H GLU A 96 -13.450 8.962 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.543 10.407 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -13.382 11.635 -3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.871 11.113 -5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.740 9.978 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -15.733 10.773 -3.667 1.00 0.00 H new ATOM 1511 N ASN A 97 -12.070 9.988 -1.798 1.00 0.00 N ATOM 1512 CA ASN A 97 -11.853 9.486 -0.446 1.00 0.00 C ATOM 1513 C ASN A 97 -13.035 8.640 0.017 1.00 0.00 C ATOM 1514 O ASN A 97 -13.898 9.113 0.756 1.00 0.00 O ATOM 1515 CB ASN A 97 -11.632 10.649 0.523 1.00 0.00 C ATOM 1516 CG ASN A 97 -10.880 11.800 -0.116 1.00 0.00 C ATOM 1517 OD1 ASN A 97 -9.651 11.852 -0.075 1.00 0.00 O ATOM 1518 ND2 ASN A 97 -11.617 12.730 -0.712 1.00 0.00 N ATOM 0 H ASN A 97 -12.104 11.005 -1.870 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.962 8.858 -0.457 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.597 11.005 0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.077 10.294 1.392 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.167 13.528 -1.160 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.634 12.646 -0.722 1.00 0.00 H new ATOM 1525 N MET A 98 -13.066 7.386 -0.422 1.00 0.00 N ATOM 1526 CA MET A 98 -14.142 6.474 -0.051 1.00 0.00 C ATOM 1527 C MET A 98 -13.771 5.675 1.195 1.00 0.00 C ATOM 1528 O MET A 98 -14.580 5.520 2.108 1.00 0.00 O ATOM 1529 CB MET A 98 -14.454 5.522 -1.207 1.00 0.00 C ATOM 1530 CG MET A 98 -15.752 4.752 -1.027 1.00 0.00 C ATOM 1531 SD MET A 98 -17.196 5.829 -0.966 1.00 0.00 S ATOM 1532 CE MET A 98 -18.485 4.646 -0.579 1.00 0.00 C ATOM 0 H MET A 98 -12.359 6.978 -1.034 1.00 0.00 H new ATOM 0 HA MET A 98 -15.029 7.068 0.170 1.00 0.00 H new ATOM 0 HB2 MET A 98 -14.506 6.094 -2.134 1.00 0.00 H new ATOM 0 HB3 MET A 98 -13.633 4.813 -1.315 1.00 0.00 H new ATOM 0 HG2 MET A 98 -15.866 4.044 -1.848 1.00 0.00 H new ATOM 0 HG3 MET A 98 -15.699 4.169 -0.108 1.00 0.00 H new ATOM 0 HE1 MET A 98 -19.443 5.162 -0.508 1.00 0.00 H new ATOM 0 HE2 MET A 98 -18.536 3.893 -1.366 1.00 0.00 H new ATOM 0 HE3 MET A 98 -18.262 4.163 0.372 1.00 0.00 H new ATOM 1542 N GLY A 99 -12.542 5.169 1.224 1.00 0.00 N ATOM 1543 CA GLY A 99 -12.086 4.391 2.362 1.00 0.00 C ATOM 1544 C GLY A 99 -10.717 4.822 2.847 1.00 0.00 C ATOM 1545 O GLY A 99 -10.530 5.104 4.032 1.00 0.00 O ATOM 0 H GLY A 99 -11.854 5.284 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.804 4.489 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.056 3.336 2.089 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.755 4.873 1.932 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.394 5.272 2.274 1.00 0.00 C ATOM 1551 C LEU A 100 -8.349 6.730 2.718 1.00 0.00 C ATOM 1552 O LEU A 100 -9.351 7.442 2.650 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.465 5.063 1.077 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.278 3.617 0.617 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -6.440 3.564 -0.651 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -6.634 2.786 1.718 1.00 0.00 C ATOM 0 H LEU A 100 -9.892 4.643 0.948 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.056 4.649 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.850 5.643 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.486 5.473 1.326 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.259 3.196 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.318 2.527 -0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.940 4.124 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.461 4.003 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.509 1.760 1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.660 3.206 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.272 2.796 2.602 1.00 0.00 H new ATOM 1568 N VAL A 101 -7.179 7.170 3.172 1.00 0.00 N ATOM 1569 CA VAL A 101 -7.002 8.544 3.624 1.00 0.00 C ATOM 1570 C VAL A 101 -7.149 9.527 2.468 1.00 0.00 C ATOM 1571 O VAL A 101 -7.769 10.581 2.609 1.00 0.00 O ATOM 1572 CB VAL A 101 -5.624 8.745 4.283 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -4.510 8.412 3.302 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -5.484 10.169 4.799 1.00 0.00 C ATOM 0 H VAL A 101 -6.340 6.594 3.236 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.781 8.737 4.362 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.543 8.066 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.544 8.560 3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.602 7.373 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.584 9.064 2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.505 10.294 5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.585 10.868 3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.262 10.367 5.537 1.00 0.00 H new ATOM 1584 N THR A 102 -6.574 9.174 1.322 1.00 0.00 N ATOM 1585 CA THR A 102 -6.640 10.024 0.141 1.00 0.00 C ATOM 1586 C THR A 102 -6.846 9.196 -1.122 1.00 0.00 C ATOM 1587 O THR A 102 -6.428 8.040 -1.193 1.00 0.00 O ATOM 1588 CB THR A 102 -5.361 10.869 -0.016 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.553 11.866 -1.025 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.174 9.990 -0.383 1.00 0.00 C ATOM 0 H THR A 102 -6.057 8.305 1.188 1.00 0.00 H new ATOM 0 HA THR A 102 -7.492 10.690 0.279 1.00 0.00 H new ATOM 0 HB THR A 102 -5.153 11.354 0.938 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.736 12.400 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.282 10.608 -0.489 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.012 9.251 0.402 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.376 9.481 -1.325 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.492 9.794 -2.118 1.00 0.00 N ATOM 1599 CA HIS A 103 -7.752 9.111 -3.380 1.00 0.00 C ATOM 1600 C HIS A 103 -6.464 8.940 -4.181 1.00 0.00 C ATOM 1601 O HIS A 103 -5.604 9.822 -4.189 1.00 0.00 O ATOM 1602 CB HIS A 103 -8.779 9.889 -4.204 1.00 0.00 C ATOM 1603 CG HIS A 103 -8.538 11.367 -4.219 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -8.788 12.314 -3.285 1.00 0.00 N flip ATOM 1605 CD2 HIS A 103 -7.978 12.027 -5.292 1.00 0.00 C flip ATOM 1606 CE1 HIS A 103 -8.376 13.517 -3.805 1.00 0.00 C flip ATOM 1607 NE2 HIS A 103 -7.891 13.316 -5.017 1.00 0.00 N flip ATOM 0 H HIS A 103 -7.845 10.750 -2.075 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.153 8.123 -3.154 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.768 9.517 -5.228 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.775 9.695 -3.805 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -9.205 12.163 -2.366 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.660 11.563 -6.214 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.439 14.472 -3.304 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.338 7.802 -4.854 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.155 7.515 -5.658 1.00 0.00 C ATOM 1618 C LEU A 104 -5.002 8.532 -6.784 1.00 0.00 C ATOM 1619 O LEU A 104 -5.638 8.412 -7.831 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.240 6.102 -6.239 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.546 4.984 -5.242 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.627 3.642 -5.954 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -4.493 4.944 -4.144 1.00 0.00 C ATOM 0 H LEU A 104 -7.041 7.063 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.281 7.583 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.009 6.094 -7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.294 5.875 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.513 5.188 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.845 2.858 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.418 3.675 -6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.675 3.431 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.728 4.142 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.513 4.765 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.483 5.897 -3.614 1.00 0.00 H new ATOM 1635 N GLN A 105 -4.154 9.531 -6.561 1.00 0.00 N ATOM 1636 CA GLN A 105 -3.917 10.568 -7.558 1.00 0.00 C ATOM 1637 C GLN A 105 -2.691 10.240 -8.403 1.00 0.00 C ATOM 1638 O GLN A 105 -2.768 10.180 -9.630 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.735 11.926 -6.879 1.00 0.00 C ATOM 1640 CG GLN A 105 -5.032 12.526 -6.361 1.00 0.00 C ATOM 1641 CD GLN A 105 -4.949 14.029 -6.180 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -4.126 14.467 -5.234 1.00 0.00 O flip ATOM 1643 NE2 GLN A 105 -5.617 14.788 -6.882 1.00 0.00 N flip ATOM 0 H GLN A 105 -3.620 9.644 -5.699 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.787 10.612 -8.214 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.038 11.817 -6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.281 12.619 -7.587 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.839 12.292 -7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.287 12.063 -5.408 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -6.237 14.408 -7.597 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.551 15.797 -6.748 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.560 10.030 -7.738 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.316 9.711 -8.429 1.00 0.00 C ATOM 1654 C TYR A 106 0.254 8.383 -7.939 1.00 0.00 C ATOM 1655 O TYR A 106 0.923 8.307 -6.908 1.00 0.00 O ATOM 1656 CB TYR A 106 0.709 10.827 -8.219 1.00 0.00 C ATOM 1657 CG TYR A 106 0.098 12.209 -8.177 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.668 12.684 -9.234 1.00 0.00 C ATOM 1659 CD2 TYR A 106 0.287 13.041 -7.079 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.227 13.947 -9.200 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.269 14.304 -7.036 1.00 0.00 C ATOM 1662 CZ TYR A 106 -1.025 14.753 -8.099 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.581 16.011 -8.061 1.00 0.00 O ATOM 0 H TYR A 106 -1.479 10.075 -6.722 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.534 9.622 -9.493 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.244 10.647 -7.287 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.445 10.789 -9.022 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.829 12.055 -10.097 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.879 12.693 -6.245 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.819 14.301 -10.031 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.113 14.937 -6.175 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.344 16.448 -7.216 1.00 0.00 H new ATOM 1673 N PRO A 107 -0.016 7.309 -8.696 1.00 0.00 N ATOM 1674 CA PRO A 107 0.461 5.964 -8.361 1.00 0.00 C ATOM 1675 C PRO A 107 1.970 5.826 -8.529 1.00 0.00 C ATOM 1676 O PRO A 107 2.447 5.297 -9.534 1.00 0.00 O ATOM 1677 CB PRO A 107 -0.273 5.068 -9.362 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.573 5.958 -10.518 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.806 7.326 -9.938 1.00 0.00 C ATOM 0 HA PRO A 107 0.267 5.710 -7.319 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.345 4.222 -9.663 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -1.186 4.658 -8.931 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.255 5.970 -11.226 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.451 5.610 -11.061 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.472 8.112 -10.616 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.863 7.504 -9.740 1.00 0.00 H new ATOM 1687 N VAL A 108 2.718 6.304 -7.540 1.00 0.00 N ATOM 1688 CA VAL A 108 4.174 6.232 -7.578 1.00 0.00 C ATOM 1689 C VAL A 108 4.643 4.941 -8.239 1.00 0.00 C ATOM 1690 O VAL A 108 4.590 3.859 -7.653 1.00 0.00 O ATOM 1691 CB VAL A 108 4.777 6.320 -6.163 1.00 0.00 C ATOM 1692 CG1 VAL A 108 4.412 7.643 -5.508 1.00 0.00 C ATOM 1693 CG2 VAL A 108 4.312 5.148 -5.312 1.00 0.00 C ATOM 0 H VAL A 108 2.340 6.746 -6.702 1.00 0.00 H new ATOM 0 HA VAL A 108 4.518 7.083 -8.165 1.00 0.00 H new ATOM 0 HB VAL A 108 5.863 6.271 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.847 7.687 -4.509 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.800 8.466 -6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.328 7.726 -5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.748 5.226 -4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.225 5.163 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.630 4.214 -5.775 1.00 0.00 H new ATOM 1703 N PRO A 109 5.114 5.054 -9.489 1.00 0.00 N ATOM 1704 CA PRO A 109 5.604 3.905 -10.258 1.00 0.00 C ATOM 1705 C PRO A 109 6.916 3.356 -9.708 1.00 0.00 C ATOM 1706 O PRO A 109 7.425 3.836 -8.695 1.00 0.00 O ATOM 1707 CB PRO A 109 5.811 4.480 -11.662 1.00 0.00 C ATOM 1708 CG PRO A 109 6.038 5.936 -11.445 1.00 0.00 C ATOM 1709 CD PRO A 109 5.207 6.312 -10.249 1.00 0.00 C ATOM 0 HA PRO A 109 4.909 3.066 -10.224 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.663 4.016 -12.158 1.00 0.00 H new ATOM 0 HB3 PRO A 109 4.940 4.305 -12.294 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.093 6.144 -11.268 1.00 0.00 H new ATOM 0 HG3 PRO A 109 5.742 6.512 -12.322 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.679 7.101 -9.664 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.223 6.678 -10.542 1.00 0.00 H new ATOM 1717 N LEU A 110 7.459 2.349 -10.383 1.00 0.00 N ATOM 1718 CA LEU A 110 8.713 1.734 -9.962 1.00 0.00 C ATOM 1719 C LEU A 110 9.898 2.636 -10.291 1.00 0.00 C ATOM 1720 O LEU A 110 9.748 3.651 -10.970 1.00 0.00 O ATOM 1721 CB LEU A 110 8.890 0.374 -10.638 1.00 0.00 C ATOM 1722 CG LEU A 110 7.734 -0.614 -10.472 1.00 0.00 C ATOM 1723 CD1 LEU A 110 7.906 -1.800 -11.408 1.00 0.00 C ATOM 1724 CD2 LEU A 110 7.637 -1.082 -9.027 1.00 0.00 C ATOM 0 H LEU A 110 7.051 1.941 -11.224 1.00 0.00 H new ATOM 0 HA LEU A 110 8.675 1.593 -8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.051 0.538 -11.703 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.796 -0.089 -10.247 1.00 0.00 H new ATOM 0 HG LEU A 110 6.806 -0.105 -10.732 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.074 -2.492 -11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.925 -1.449 -12.440 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.842 -2.310 -11.181 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.809 -1.784 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.567 -1.574 -8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.465 -0.224 -8.377 1.00 0.00 H new ATOM 1736 N GLU A 111 11.077 2.257 -9.805 1.00 0.00 N ATOM 1737 CA GLU A 111 12.288 3.032 -10.050 1.00 0.00 C ATOM 1738 C GLU A 111 13.190 2.327 -11.059 1.00 0.00 C ATOM 1739 O GLU A 111 14.057 1.539 -10.686 1.00 0.00 O ATOM 1740 CB GLU A 111 13.048 3.258 -8.741 1.00 0.00 C ATOM 1741 CG GLU A 111 12.512 4.417 -7.918 1.00 0.00 C ATOM 1742 CD GLU A 111 12.445 5.710 -8.707 1.00 0.00 C ATOM 1743 OE1 GLU A 111 11.424 5.938 -9.389 1.00 0.00 O ATOM 1744 OE2 GLU A 111 13.415 6.495 -8.642 1.00 0.00 O ATOM 0 H GLU A 111 11.219 1.419 -9.240 1.00 0.00 H new ATOM 0 HA GLU A 111 11.994 3.997 -10.463 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.003 2.348 -8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.099 3.440 -8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.516 4.168 -7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.147 4.561 -7.044 1.00 0.00 H new ATOM 1751 N GLU A 112 12.976 2.618 -12.339 1.00 0.00 N ATOM 1752 CA GLU A 112 13.769 2.012 -13.402 1.00 0.00 C ATOM 1753 C GLU A 112 15.188 2.574 -13.411 1.00 0.00 C ATOM 1754 O GLU A 112 15.417 3.712 -13.005 1.00 0.00 O ATOM 1755 CB GLU A 112 13.106 2.249 -14.761 1.00 0.00 C ATOM 1756 CG GLU A 112 11.981 1.275 -15.067 1.00 0.00 C ATOM 1757 CD GLU A 112 11.530 1.341 -16.513 1.00 0.00 C ATOM 1758 OE1 GLU A 112 12.389 1.200 -17.408 1.00 0.00 O ATOM 1759 OE2 GLU A 112 10.319 1.532 -16.749 1.00 0.00 O ATOM 0 H GLU A 112 12.261 3.269 -12.664 1.00 0.00 H new ATOM 0 HA GLU A 112 13.823 0.940 -13.214 1.00 0.00 H new ATOM 0 HB2 GLU A 112 12.714 3.266 -14.792 1.00 0.00 H new ATOM 0 HB3 GLU A 112 13.862 2.175 -15.543 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.311 0.261 -14.839 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.133 1.488 -14.416 1.00 0.00 H new ATOM 1766 N GLU A 113 16.135 1.766 -13.876 1.00 0.00 N ATOM 1767 CA GLU A 113 17.531 2.182 -13.937 1.00 0.00 C ATOM 1768 C GLU A 113 17.939 2.510 -15.370 1.00 0.00 C ATOM 1769 O GLU A 113 18.060 1.620 -16.212 1.00 0.00 O ATOM 1770 CB GLU A 113 18.438 1.085 -13.375 1.00 0.00 C ATOM 1771 CG GLU A 113 19.916 1.433 -13.423 1.00 0.00 C ATOM 1772 CD GLU A 113 20.201 2.837 -12.925 1.00 0.00 C ATOM 1773 OE1 GLU A 113 20.316 3.018 -11.695 1.00 0.00 O ATOM 1774 OE2 GLU A 113 20.309 3.753 -13.766 1.00 0.00 O ATOM 0 H GLU A 113 15.961 0.820 -14.216 1.00 0.00 H new ATOM 0 HA GLU A 113 17.642 3.081 -13.331 1.00 0.00 H new ATOM 0 HB2 GLU A 113 18.154 0.884 -12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.272 0.165 -13.936 1.00 0.00 H new ATOM 0 HG2 GLU A 113 20.474 0.717 -12.819 1.00 0.00 H new ATOM 0 HG3 GLU A 113 20.276 1.335 -14.447 1.00 0.00 H new ATOM 1781 N ASP A 114 18.150 3.793 -15.639 1.00 0.00 N ATOM 1782 CA ASP A 114 18.546 4.240 -16.970 1.00 0.00 C ATOM 1783 C ASP A 114 19.880 3.622 -17.377 1.00 0.00 C ATOM 1784 O ASP A 114 20.943 4.072 -16.948 1.00 0.00 O ATOM 1785 CB ASP A 114 18.643 5.766 -17.011 1.00 0.00 C ATOM 1786 CG ASP A 114 17.295 6.437 -16.840 1.00 0.00 C ATOM 1787 OD1 ASP A 114 16.416 6.231 -17.702 1.00 0.00 O ATOM 1788 OD2 ASP A 114 17.118 7.170 -15.843 1.00 0.00 O ATOM 0 H ASP A 114 18.054 4.542 -14.954 1.00 0.00 H new ATOM 0 HA ASP A 114 17.784 3.913 -17.677 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.317 6.105 -16.224 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.081 6.074 -17.961 1.00 0.00 H new ATOM 1793 N THR A 115 19.817 2.586 -18.208 1.00 0.00 N ATOM 1794 CA THR A 115 21.019 1.904 -18.671 1.00 0.00 C ATOM 1795 C THR A 115 20.844 1.389 -20.095 1.00 0.00 C ATOM 1796 O THR A 115 19.832 0.772 -20.423 1.00 0.00 O ATOM 1797 CB THR A 115 21.385 0.724 -17.752 1.00 0.00 C ATOM 1798 OG1 THR A 115 22.672 0.207 -18.107 1.00 0.00 O ATOM 1799 CG2 THR A 115 20.344 -0.381 -17.849 1.00 0.00 C ATOM 0 H THR A 115 18.946 2.201 -18.574 1.00 0.00 H new ATOM 0 HA THR A 115 21.826 2.636 -18.648 1.00 0.00 H new ATOM 0 HB THR A 115 21.411 1.087 -16.725 1.00 0.00 H new ATOM 0 HG1 THR A 115 22.898 -0.542 -17.517 1.00 0.00 H new ATOM 0 HG21 THR A 115 20.624 -1.204 -17.191 1.00 0.00 H new ATOM 0 HG22 THR A 115 19.371 0.008 -17.549 1.00 0.00 H new ATOM 0 HG23 THR A 115 20.290 -0.741 -18.877 1.00 0.00 H new ATOM 1807 N GLY A 116 21.839 1.646 -20.939 1.00 0.00 N ATOM 1808 CA GLY A 116 21.776 1.201 -22.319 1.00 0.00 C ATOM 1809 C GLY A 116 20.782 1.998 -23.140 1.00 0.00 C ATOM 1810 O GLY A 116 20.858 3.225 -23.199 1.00 0.00 O ATOM 0 H GLY A 116 22.688 2.155 -20.691 1.00 0.00 H new ATOM 0 HA2 GLY A 116 22.765 1.284 -22.770 1.00 0.00 H new ATOM 0 HA3 GLY A 116 21.502 0.146 -22.345 1.00 0.00 H new ATOM 1814 N ASP A 117 19.849 1.299 -23.778 1.00 0.00 N ATOM 1815 CA ASP A 117 18.836 1.950 -24.601 1.00 0.00 C ATOM 1816 C ASP A 117 17.727 0.970 -24.973 1.00 0.00 C ATOM 1817 O ASP A 117 17.734 -0.183 -24.543 1.00 0.00 O ATOM 1818 CB ASP A 117 19.471 2.526 -25.868 1.00 0.00 C ATOM 1819 CG ASP A 117 20.414 1.547 -26.540 1.00 0.00 C ATOM 1820 OD1 ASP A 117 19.924 0.646 -27.251 1.00 0.00 O ATOM 1821 OD2 ASP A 117 21.641 1.682 -26.353 1.00 0.00 O ATOM 0 H ASP A 117 19.773 0.282 -23.741 1.00 0.00 H new ATOM 0 HA ASP A 117 18.399 2.763 -24.021 1.00 0.00 H new ATOM 0 HB2 ASP A 117 18.685 2.808 -26.569 1.00 0.00 H new ATOM 0 HB3 ASP A 117 20.016 3.436 -25.616 1.00 0.00 H new ATOM 1826 N ASP A 118 16.776 1.438 -25.774 1.00 0.00 N ATOM 1827 CA ASP A 118 15.660 0.604 -26.204 1.00 0.00 C ATOM 1828 C ASP A 118 14.861 0.105 -25.005 1.00 0.00 C ATOM 1829 O ASP A 118 14.650 -1.095 -24.824 1.00 0.00 O ATOM 1830 CB ASP A 118 16.169 -0.584 -27.023 1.00 0.00 C ATOM 1831 CG ASP A 118 16.489 -0.204 -28.456 1.00 0.00 C ATOM 1832 OD1 ASP A 118 15.541 -0.047 -29.253 1.00 0.00 O ATOM 1833 OD2 ASP A 118 17.687 -0.065 -28.780 1.00 0.00 O ATOM 0 H ASP A 118 16.756 2.390 -26.139 1.00 0.00 H new ATOM 0 HA ASP A 118 15.004 1.211 -26.828 1.00 0.00 H new ATOM 0 HB2 ASP A 118 17.062 -0.992 -26.550 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.417 -1.373 -27.019 1.00 0.00 H new ATOM 1838 N PRO A 119 14.406 1.046 -24.164 1.00 0.00 N ATOM 1839 CA PRO A 119 13.623 0.725 -22.966 1.00 0.00 C ATOM 1840 C PRO A 119 12.227 0.214 -23.306 1.00 0.00 C ATOM 1841 O PRO A 119 11.306 0.999 -23.533 1.00 0.00 O ATOM 1842 CB PRO A 119 13.537 2.064 -22.230 1.00 0.00 C ATOM 1843 CG PRO A 119 13.694 3.093 -23.296 1.00 0.00 C ATOM 1844 CD PRO A 119 14.620 2.494 -24.317 1.00 0.00 C ATOM 0 HA PRO A 119 14.082 -0.071 -22.380 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.583 2.171 -21.714 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.319 2.152 -21.476 1.00 0.00 H new ATOM 0 HG2 PRO A 119 12.731 3.343 -23.742 1.00 0.00 H new ATOM 0 HG3 PRO A 119 14.106 4.016 -22.889 1.00 0.00 H new ATOM 0 HD2 PRO A 119 14.379 2.831 -25.325 1.00 0.00 H new ATOM 0 HD3 PRO A 119 15.658 2.769 -24.128 1.00 0.00 H new TER 1852 PRO A 119