USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 934 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 89 SER OG : rot 31:sc= 0.00549 USER MOD Set 1.2: A 94 TYR OH : rot 59:sc= -4.95! USER MOD Set 2.1: A 85 GLN :FLIP amide:sc= -0.806 F(o=-0.77,f=0.23) USER MOD Set 2.2: A 87 LYS NZ :NH3+ -140:sc= 0.819 (180deg=0) USER MOD Set 2.3: A 101 SER OG : rot 140:sc= 0.216 USER MOD Set 3.1: A 73 MET CE :methyl 172:sc= 0 (180deg=-0.0367) USER MOD Set 3.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 65 ASN : amide:sc= -0.752 X(o=-2.3,f=-2.5) USER MOD Set 4.2: A 88 TYR OH : rot 180:sc= -1.6 USER MOD Set 5.1: A 61 LYS NZ :NH3+ 167:sc= 0.0522 (180deg=0) USER MOD Set 5.2: A 110 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 1 GLN : amide:sc= -0.858 K(o=-0.86,f=-3.4!) USER MOD Single : A 1 GLN N :NH3+ -132:sc= -0.259 (180deg=-1.8!) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.0845 F(o=-0.97,f=-0.085) USER MOD Single : A 14 THR OG1 : rot -81:sc= -1.08 USER MOD Single : A 15 GLN : amide:sc= -8.02! C(o=-8!,f=-13!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -140:sc=-0.00338 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 30 TYR OH : rot 180:sc= -1.89! USER MOD Single : A 36 TYR OH : rot 30:sc= -0.222 USER MOD Single : A 37 SER OG : rot 142:sc= -4.6! USER MOD Single : A 42 SER OG : rot -63:sc= 0.396 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.272 K(o=-0.27,f=-0.96) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00583 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.14! X(o=-1.1!,f=-0.84) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -2.86! C(o=-4.1!,f=-2.9!) USER MOD Single : A 84 SER OG : rot -160:sc= -0.268 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -160:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -6.84! C(o=-6.8!,f=-12!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0986 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 25.014 -6.774 -15.566 1.00 0.00 N ATOM 2 CA GLN A 1 24.925 -8.227 -15.393 1.00 0.00 C ATOM 3 C GLN A 1 23.488 -8.720 -15.589 1.00 0.00 C ATOM 4 O GLN A 1 23.155 -9.185 -16.660 1.00 0.00 O ATOM 5 CB GLN A 1 25.454 -8.490 -14.029 1.00 0.00 C ATOM 6 CG GLN A 1 26.919 -8.144 -13.967 1.00 0.00 C ATOM 7 CD GLN A 1 27.467 -8.229 -12.598 1.00 0.00 C ATOM 8 OE1 GLN A 1 27.938 -9.269 -12.164 1.00 0.00 O ATOM 9 NE2 GLN A 1 27.328 -7.119 -11.885 1.00 0.00 N ATOM 0 H1 GLN A 1 25.808 -6.548 -16.198 1.00 0.00 H new ATOM 0 H2 GLN A 1 24.129 -6.419 -15.981 1.00 0.00 H new ATOM 0 H3 GLN A 1 25.168 -6.323 -14.642 1.00 0.00 H new ATOM 0 HA GLN A 1 25.504 -8.773 -16.138 1.00 0.00 H new ATOM 0 HB2 GLN A 1 24.902 -7.901 -13.296 1.00 0.00 H new ATOM 0 HB3 GLN A 1 25.309 -9.539 -13.770 1.00 0.00 H new ATOM 0 HG2 GLN A 1 27.475 -8.817 -14.619 1.00 0.00 H new ATOM 0 HG3 GLN A 1 27.066 -7.135 -14.351 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.926 -6.285 -12.313 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.624 -7.099 -10.909 1.00 0.00 H new ATOM 18 N CYS A 2 22.598 -8.613 -14.541 1.00 0.00 N ATOM 19 CA CYS A 2 21.175 -8.863 -14.799 1.00 0.00 C ATOM 20 C CYS A 2 20.660 -7.660 -15.584 1.00 0.00 C ATOM 21 O CYS A 2 19.648 -7.730 -16.285 1.00 0.00 O ATOM 22 CB CYS A 2 20.200 -9.022 -13.594 1.00 0.00 C ATOM 23 SG CYS A 2 20.472 -10.177 -12.171 1.00 0.00 S ATOM 0 H CYS A 2 22.840 -8.371 -13.580 1.00 0.00 H new ATOM 0 HA CYS A 2 21.168 -9.835 -15.292 1.00 0.00 H new ATOM 0 HB2 CYS A 2 20.092 -8.028 -13.160 1.00 0.00 H new ATOM 0 HB3 CYS A 2 19.234 -9.291 -14.021 1.00 0.00 H new ATOM 28 N ASN A 3 21.417 -6.557 -15.443 1.00 0.00 N ATOM 29 CA ASN A 3 21.091 -5.235 -15.976 1.00 0.00 C ATOM 30 C ASN A 3 19.800 -4.647 -15.343 1.00 0.00 C ATOM 31 O ASN A 3 18.988 -4.017 -16.019 1.00 0.00 O ATOM 32 CB ASN A 3 20.946 -5.318 -17.496 1.00 0.00 C ATOM 33 CG ASN A 3 21.210 -4.019 -18.201 1.00 0.00 C ATOM 34 OD1 ASN A 3 22.277 -3.366 -17.781 1.00 0.00 O flip ATOM 35 ND2 ASN A 3 20.512 -3.619 -19.119 1.00 0.00 N flip ATOM 0 H ASN A 3 22.302 -6.569 -14.936 1.00 0.00 H new ATOM 0 HA ASN A 3 21.908 -4.561 -15.718 1.00 0.00 H new ATOM 0 HB2 ASN A 3 21.633 -6.074 -17.877 1.00 0.00 H new ATOM 0 HB3 ASN A 3 19.938 -5.654 -17.738 1.00 0.00 H new ATOM 0 HD21 ASN A 3 19.696 -4.157 -19.411 1.00 0.00 H new ATOM 0 HD22 ASN A 3 20.745 -2.747 -19.594 1.00 0.00 H new ATOM 42 N ALA A 4 19.685 -4.851 -14.012 1.00 0.00 N ATOM 43 CA ALA A 4 18.621 -4.286 -13.152 1.00 0.00 C ATOM 44 C ALA A 4 17.268 -4.922 -13.351 1.00 0.00 C ATOM 45 O ALA A 4 16.873 -5.237 -14.458 1.00 0.00 O ATOM 46 CB ALA A 4 18.509 -2.773 -13.336 1.00 0.00 C ATOM 0 H ALA A 4 20.347 -5.428 -13.493 1.00 0.00 H new ATOM 0 HA ALA A 4 18.929 -4.514 -12.132 1.00 0.00 H new ATOM 0 HB1 ALA A 4 17.720 -2.386 -12.692 1.00 0.00 H new ATOM 0 HB2 ALA A 4 19.456 -2.303 -13.072 1.00 0.00 H new ATOM 0 HB3 ALA A 4 18.271 -2.550 -14.376 1.00 0.00 H new ATOM 52 N PRO A 5 16.550 -5.180 -12.247 1.00 0.00 N ATOM 53 CA PRO A 5 15.219 -5.742 -12.330 1.00 0.00 C ATOM 54 C PRO A 5 14.138 -4.742 -12.701 1.00 0.00 C ATOM 55 O PRO A 5 13.953 -4.393 -13.870 1.00 0.00 O ATOM 56 CB PRO A 5 14.952 -6.319 -10.933 1.00 0.00 C ATOM 57 CG PRO A 5 15.854 -5.577 -10.013 1.00 0.00 C ATOM 58 CD PRO A 5 17.022 -5.050 -10.838 1.00 0.00 C ATOM 0 HA PRO A 5 15.182 -6.483 -13.129 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.908 -6.188 -10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.158 -7.389 -10.905 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.321 -4.755 -9.535 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.211 -6.231 -9.217 1.00 0.00 H new ATOM 0 HD2 PRO A 5 17.254 -4.015 -10.588 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.928 -5.630 -10.665 1.00 0.00 H new ATOM 66 N GLU A 6 13.437 -4.273 -11.709 1.00 0.00 N ATOM 67 CA GLU A 6 12.286 -3.426 -11.904 1.00 0.00 C ATOM 68 C GLU A 6 11.978 -2.630 -10.650 1.00 0.00 C ATOM 69 O GLU A 6 12.421 -2.993 -9.552 1.00 0.00 O ATOM 70 CB GLU A 6 11.096 -4.283 -12.344 1.00 0.00 C ATOM 71 CG GLU A 6 10.886 -5.509 -11.478 1.00 0.00 C ATOM 72 CD GLU A 6 9.721 -6.364 -11.937 1.00 0.00 C ATOM 73 OE1 GLU A 6 9.541 -6.516 -13.177 1.00 0.00 O ATOM 74 OE2 GLU A 6 9.002 -6.892 -11.086 1.00 0.00 O ATOM 0 H GLU A 6 13.647 -4.468 -10.730 1.00 0.00 H new ATOM 0 HA GLU A 6 12.498 -2.701 -12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.192 -3.674 -12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.246 -4.598 -13.377 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.795 -6.110 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.716 -5.195 -10.448 1.00 0.00 H new ATOM 81 N TRP A 7 11.217 -1.576 -10.795 1.00 0.00 N ATOM 82 CA TRP A 7 10.820 -0.783 -9.666 1.00 0.00 C ATOM 83 C TRP A 7 9.604 -1.401 -8.992 1.00 0.00 C ATOM 84 O TRP A 7 8.543 -1.542 -9.614 1.00 0.00 O ATOM 85 CB TRP A 7 10.577 0.668 -10.066 1.00 0.00 C ATOM 86 CG TRP A 7 10.140 1.525 -8.922 1.00 0.00 C ATOM 87 CD1 TRP A 7 10.937 2.092 -7.983 1.00 0.00 C ATOM 88 CD2 TRP A 7 8.793 1.979 -8.633 1.00 0.00 C ATOM 89 NE1 TRP A 7 10.189 2.810 -7.101 1.00 0.00 N ATOM 90 CE2 TRP A 7 8.868 2.768 -7.479 1.00 0.00 C ATOM 91 CE3 TRP A 7 7.533 1.776 -9.231 1.00 0.00 C ATOM 92 CZ2 TRP A 7 7.739 3.372 -6.899 1.00 0.00 C ATOM 93 CZ3 TRP A 7 6.420 2.377 -8.663 1.00 0.00 C ATOM 94 CH2 TRP A 7 6.531 3.167 -7.507 1.00 0.00 C ATOM 0 H TRP A 7 10.859 -1.247 -11.692 1.00 0.00 H new ATOM 0 HA TRP A 7 11.635 -0.775 -8.942 1.00 0.00 H new ATOM 0 HB2 TRP A 7 11.492 1.080 -10.492 1.00 0.00 H new ATOM 0 HB3 TRP A 7 9.818 0.701 -10.848 1.00 0.00 H new ATOM 0 HD1 TRP A 7 12.011 1.989 -7.941 1.00 0.00 H new ATOM 0 HE1 TRP A 7 10.553 3.303 -6.285 1.00 0.00 H new ATOM 0 HE3 TRP A 7 7.436 1.164 -10.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.822 3.975 -6.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.451 2.235 -9.117 1.00 0.00 H new ATOM 0 HH2 TRP A 7 5.645 3.622 -7.090 1.00 0.00 H new ATOM 105 N LEU A 8 9.765 -1.757 -7.737 1.00 0.00 N ATOM 106 CA LEU A 8 8.755 -2.440 -6.995 1.00 0.00 C ATOM 107 C LEU A 8 8.322 -1.562 -5.825 1.00 0.00 C ATOM 108 O LEU A 8 9.041 -1.415 -4.860 1.00 0.00 O ATOM 109 CB LEU A 8 9.305 -3.790 -6.497 1.00 0.00 C ATOM 110 CG LEU A 8 8.302 -4.727 -5.840 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.191 -5.040 -6.803 1.00 0.00 C ATOM 112 CD2 LEU A 8 8.987 -6.003 -5.385 1.00 0.00 C ATOM 0 H LEU A 8 10.616 -1.573 -7.205 1.00 0.00 H new ATOM 0 HA LEU A 8 7.889 -2.637 -7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.754 -4.309 -7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.105 -3.591 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 8 7.881 -4.236 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.476 -5.711 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.687 -4.117 -7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.603 -5.519 -7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.255 -6.662 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.430 -6.505 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.768 -5.760 -4.665 1.00 0.00 H new ATOM 124 N PRO A 9 7.118 -1.016 -5.907 1.00 0.00 N ATOM 125 CA PRO A 9 6.597 -0.096 -4.888 1.00 0.00 C ATOM 126 C PRO A 9 6.437 -0.759 -3.524 1.00 0.00 C ATOM 127 O PRO A 9 6.388 -0.091 -2.506 1.00 0.00 O ATOM 128 CB PRO A 9 5.218 0.310 -5.454 1.00 0.00 C ATOM 129 CG PRO A 9 4.860 -0.786 -6.407 1.00 0.00 C ATOM 130 CD PRO A 9 6.156 -1.236 -7.007 1.00 0.00 C ATOM 0 HA PRO A 9 7.272 0.742 -4.714 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.476 0.403 -4.661 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.266 1.274 -5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.361 -1.606 -5.891 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.175 -0.429 -7.176 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.120 -2.282 -7.310 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.415 -0.656 -7.893 1.00 0.00 H new ATOM 138 N PHE A 10 6.296 -2.071 -3.531 1.00 0.00 N ATOM 139 CA PHE A 10 6.113 -2.876 -2.307 1.00 0.00 C ATOM 140 C PHE A 10 7.356 -2.781 -1.429 1.00 0.00 C ATOM 141 O PHE A 10 7.292 -2.670 -0.207 1.00 0.00 O ATOM 142 CB PHE A 10 6.076 -4.344 -2.654 1.00 0.00 C ATOM 143 CG PHE A 10 5.004 -4.805 -3.573 1.00 0.00 C ATOM 144 CD1 PHE A 10 3.907 -4.027 -3.878 1.00 0.00 C ATOM 145 CD2 PHE A 10 5.161 -6.029 -4.181 1.00 0.00 C ATOM 146 CE1 PHE A 10 2.961 -4.478 -4.778 1.00 0.00 C ATOM 147 CE2 PHE A 10 4.245 -6.483 -5.080 1.00 0.00 C ATOM 148 CZ PHE A 10 3.137 -5.710 -5.383 1.00 0.00 C ATOM 0 H PHE A 10 6.303 -2.626 -4.387 1.00 0.00 H new ATOM 0 HA PHE A 10 5.204 -2.513 -1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.036 -4.609 -3.097 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.988 -4.907 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.787 -3.061 -3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.021 -6.637 -3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.094 -3.876 -5.007 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.382 -7.443 -5.555 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.408 -6.070 -6.094 1.00 0.00 H new ATOM 158 N ALA A 11 8.490 -2.855 -2.118 1.00 0.00 N ATOM 159 CA ALA A 11 9.766 -3.197 -1.517 1.00 0.00 C ATOM 160 C ALA A 11 10.828 -2.147 -1.670 1.00 0.00 C ATOM 161 O ALA A 11 10.780 -1.310 -2.563 1.00 0.00 O ATOM 162 CB ALA A 11 10.254 -4.485 -2.172 1.00 0.00 C ATOM 0 H ALA A 11 8.545 -2.676 -3.121 1.00 0.00 H new ATOM 0 HA ALA A 11 9.598 -3.300 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.214 -4.771 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.528 -5.279 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.370 -4.327 -3.244 1.00 0.00 H new ATOM 168 N ARG A 12 11.764 -2.192 -0.754 1.00 0.00 N ATOM 169 CA ARG A 12 12.930 -1.338 -0.769 1.00 0.00 C ATOM 170 C ARG A 12 14.177 -2.168 -0.379 1.00 0.00 C ATOM 171 O ARG A 12 14.482 -2.341 0.789 1.00 0.00 O ATOM 172 CB ARG A 12 12.781 -0.070 0.136 1.00 0.00 C ATOM 173 CG ARG A 12 12.414 -0.319 1.608 1.00 0.00 C ATOM 174 CD ARG A 12 10.993 -0.798 1.773 1.00 0.00 C ATOM 175 NE ARG A 12 10.644 -1.029 3.176 1.00 0.00 N ATOM 176 CZ ARG A 12 9.477 -0.669 3.725 1.00 0.00 C ATOM 177 NH1 ARG A 12 8.605 0.035 3.029 1.00 0.00 N ATOM 178 NH2 ARG A 12 9.206 -1.000 4.982 1.00 0.00 N ATOM 0 H ARG A 12 11.738 -2.834 0.038 1.00 0.00 H new ATOM 0 HA ARG A 12 13.046 -0.956 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.720 0.482 0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.019 0.574 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.095 -1.058 2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.552 0.602 2.175 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.312 -0.061 1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.855 -1.721 1.210 1.00 0.00 H new ATOM 0 HE ARG A 12 11.331 -1.492 3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.819 0.307 2.069 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.717 0.307 3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.887 -1.528 5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.317 -0.726 5.401 1.00 0.00 H new ATOM 192 N PRO A 13 14.863 -2.757 -1.394 1.00 0.00 N ATOM 193 CA PRO A 13 16.045 -3.590 -1.190 1.00 0.00 C ATOM 194 C PRO A 13 17.216 -2.789 -0.747 1.00 0.00 C ATOM 195 O PRO A 13 17.370 -1.624 -1.113 1.00 0.00 O ATOM 196 CB PRO A 13 16.303 -4.245 -2.537 1.00 0.00 C ATOM 197 CG PRO A 13 15.106 -3.918 -3.364 1.00 0.00 C ATOM 198 CD PRO A 13 14.540 -2.645 -2.812 1.00 0.00 C ATOM 0 HA PRO A 13 15.884 -4.325 -0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.215 -3.861 -2.994 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.428 -5.323 -2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.380 -3.798 -4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.371 -4.722 -3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.996 -1.765 -3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.466 -2.570 -2.981 1.00 0.00 H new ATOM 206 N THR A 14 18.068 -3.437 -0.022 1.00 0.00 N ATOM 207 CA THR A 14 19.159 -2.796 0.640 1.00 0.00 C ATOM 208 C THR A 14 20.380 -2.784 -0.258 1.00 0.00 C ATOM 209 O THR A 14 21.405 -2.168 0.056 1.00 0.00 O ATOM 210 CB THR A 14 19.491 -3.569 1.929 1.00 0.00 C ATOM 211 OG1 THR A 14 20.332 -4.683 1.625 1.00 0.00 O ATOM 212 CG2 THR A 14 18.239 -4.106 2.564 1.00 0.00 C ATOM 0 H THR A 14 18.025 -4.445 0.130 1.00 0.00 H new ATOM 0 HA THR A 14 18.879 -1.770 0.878 1.00 0.00 H new ATOM 0 HB THR A 14 19.990 -2.880 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.785 -5.425 1.294 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.496 -4.649 3.473 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.573 -3.279 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 14 17.739 -4.780 1.869 1.00 0.00 H new ATOM 220 N GLN A 15 20.276 -3.443 -1.400 1.00 0.00 N ATOM 221 CA GLN A 15 21.438 -3.626 -2.265 1.00 0.00 C ATOM 222 C GLN A 15 21.171 -3.001 -3.618 1.00 0.00 C ATOM 223 O GLN A 15 21.974 -2.282 -4.146 1.00 0.00 O ATOM 224 CB GLN A 15 21.725 -5.114 -2.413 1.00 0.00 C ATOM 225 CG GLN A 15 21.353 -5.888 -1.184 1.00 0.00 C ATOM 226 CD GLN A 15 20.412 -6.958 -1.566 1.00 0.00 C ATOM 227 OE1 GLN A 15 20.786 -8.105 -1.797 1.00 0.00 O ATOM 228 NE2 GLN A 15 19.153 -6.535 -1.774 1.00 0.00 N ATOM 0 H GLN A 15 19.412 -3.857 -1.750 1.00 0.00 H new ATOM 0 HA GLN A 15 22.307 -3.139 -1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 15 21.173 -5.505 -3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.784 -5.259 -2.624 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.243 -6.315 -0.722 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.896 -5.229 -0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 15 18.898 -5.570 -1.564 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.453 -7.179 -2.142 1.00 0.00 H new ATOM 237 N LEU A 16 19.951 -3.178 -4.071 1.00 0.00 N ATOM 238 CA LEU A 16 19.466 -2.713 -5.354 1.00 0.00 C ATOM 239 C LEU A 16 19.487 -1.227 -5.564 1.00 0.00 C ATOM 240 O LEU A 16 19.845 -0.762 -6.653 1.00 0.00 O ATOM 241 CB LEU A 16 18.127 -3.345 -5.693 1.00 0.00 C ATOM 242 CG LEU A 16 17.385 -2.727 -6.853 1.00 0.00 C ATOM 243 CD1 LEU A 16 16.564 -3.751 -7.556 1.00 0.00 C ATOM 244 CD2 LEU A 16 16.450 -1.669 -6.271 1.00 0.00 C ATOM 0 H LEU A 16 19.238 -3.671 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 16 20.203 -3.063 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.289 -4.401 -5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.489 -3.296 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 16 18.092 -2.302 -7.565 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.037 -3.286 -8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.213 -4.541 -7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.840 -4.177 -6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.891 -1.194 -7.077 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.755 -2.140 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 16 17.036 -0.916 -5.743 1.00 0.00 H new ATOM 256 N THR A 17 19.134 -0.492 -4.569 1.00 0.00 N ATOM 257 CA THR A 17 18.987 0.956 -4.678 1.00 0.00 C ATOM 258 C THR A 17 20.199 1.634 -5.377 1.00 0.00 C ATOM 259 O THR A 17 20.004 2.562 -6.154 1.00 0.00 O ATOM 260 CB THR A 17 18.734 1.568 -3.251 1.00 0.00 C ATOM 261 OG1 THR A 17 18.023 2.804 -3.353 1.00 0.00 O ATOM 262 CG2 THR A 17 20.028 1.719 -2.486 1.00 0.00 C ATOM 0 H THR A 17 18.933 -0.861 -3.640 1.00 0.00 H new ATOM 0 HA THR A 17 18.126 1.156 -5.315 1.00 0.00 H new ATOM 0 HB THR A 17 18.110 0.877 -2.684 1.00 0.00 H new ATOM 0 HG1 THR A 17 17.873 3.170 -2.456 1.00 0.00 H new ATOM 0 HG21 THR A 17 19.822 2.144 -1.504 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.497 0.742 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 17 20.700 2.380 -3.034 1.00 0.00 H new ATOM 270 N ASP A 18 21.417 1.201 -5.076 1.00 0.00 N ATOM 271 CA ASP A 18 22.599 1.735 -5.756 1.00 0.00 C ATOM 272 C ASP A 18 23.243 0.643 -6.631 1.00 0.00 C ATOM 273 O ASP A 18 24.134 0.914 -7.429 1.00 0.00 O ATOM 274 CB ASP A 18 23.575 2.246 -4.724 1.00 0.00 C ATOM 275 CG ASP A 18 24.780 2.954 -5.320 1.00 0.00 C ATOM 276 OD1 ASP A 18 24.616 4.023 -5.956 1.00 0.00 O ATOM 277 OD2 ASP A 18 25.906 2.458 -5.122 1.00 0.00 O ATOM 0 H ASP A 18 21.615 0.489 -4.373 1.00 0.00 H new ATOM 0 HA ASP A 18 22.310 2.560 -6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 18 23.056 2.932 -4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 18 23.920 1.409 -4.117 1.00 0.00 H new ATOM 282 N GLU A 19 22.733 -0.579 -6.512 1.00 0.00 N ATOM 283 CA GLU A 19 23.333 -1.751 -7.151 1.00 0.00 C ATOM 284 C GLU A 19 22.230 -2.522 -7.816 1.00 0.00 C ATOM 285 O GLU A 19 21.770 -3.542 -7.351 1.00 0.00 O ATOM 286 CB GLU A 19 23.926 -2.628 -6.116 1.00 0.00 C ATOM 287 CG GLU A 19 24.932 -1.953 -5.239 1.00 0.00 C ATOM 288 CD GLU A 19 26.371 -2.031 -5.699 1.00 0.00 C ATOM 289 OE1 GLU A 19 26.673 -2.772 -6.647 1.00 0.00 O ATOM 290 OE2 GLU A 19 27.227 -1.360 -5.070 1.00 0.00 O ATOM 0 H GLU A 19 21.894 -0.787 -5.971 1.00 0.00 H new ATOM 0 HA GLU A 19 24.097 -1.438 -7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 19 23.126 -3.026 -5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.401 -3.478 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 19 24.657 -0.902 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 19 24.866 -2.389 -4.242 1.00 0.00 H new ATOM 297 N PHE A 20 21.796 -1.967 -8.840 1.00 0.00 N ATOM 298 CA PHE A 20 20.809 -2.545 -9.712 1.00 0.00 C ATOM 299 C PHE A 20 21.335 -3.800 -10.383 1.00 0.00 C ATOM 300 O PHE A 20 20.599 -4.761 -10.594 1.00 0.00 O ATOM 301 CB PHE A 20 20.272 -1.529 -10.712 1.00 0.00 C ATOM 302 CG PHE A 20 19.391 -0.465 -10.079 1.00 0.00 C ATOM 303 CD1 PHE A 20 18.039 -0.694 -9.905 1.00 0.00 C ATOM 304 CD2 PHE A 20 19.912 0.753 -9.670 1.00 0.00 C ATOM 305 CE1 PHE A 20 17.225 0.256 -9.340 1.00 0.00 C ATOM 306 CE2 PHE A 20 19.097 1.717 -9.107 1.00 0.00 C ATOM 307 CZ PHE A 20 17.756 1.476 -8.938 1.00 0.00 C ATOM 0 H PHE A 20 22.112 -1.046 -9.144 1.00 0.00 H new ATOM 0 HA PHE A 20 19.960 -2.846 -9.098 1.00 0.00 H new ATOM 0 HB2 PHE A 20 21.111 -1.045 -11.212 1.00 0.00 H new ATOM 0 HB3 PHE A 20 19.702 -2.052 -11.480 1.00 0.00 H new ATOM 0 HD1 PHE A 20 17.616 -1.637 -10.219 1.00 0.00 H new ATOM 0 HD2 PHE A 20 20.967 0.951 -9.793 1.00 0.00 H new ATOM 0 HE1 PHE A 20 16.172 0.055 -9.208 1.00 0.00 H new ATOM 0 HE2 PHE A 20 19.517 2.663 -8.799 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.119 2.228 -8.496 1.00 0.00 H new ATOM 317 N GLU A 21 22.596 -3.789 -10.713 1.00 0.00 N ATOM 318 CA GLU A 21 23.141 -4.821 -11.527 1.00 0.00 C ATOM 319 C GLU A 21 23.873 -5.870 -10.718 1.00 0.00 C ATOM 320 O GLU A 21 24.880 -5.603 -10.086 1.00 0.00 O ATOM 321 CB GLU A 21 24.063 -4.198 -12.541 1.00 0.00 C ATOM 322 CG GLU A 21 23.304 -3.357 -13.534 1.00 0.00 C ATOM 323 CD GLU A 21 24.188 -2.670 -14.518 1.00 0.00 C ATOM 324 OE1 GLU A 21 25.411 -2.838 -14.409 1.00 0.00 O ATOM 325 OE2 GLU A 21 23.656 -2.004 -15.409 1.00 0.00 O ATOM 0 H GLU A 21 23.262 -3.071 -10.426 1.00 0.00 H new ATOM 0 HA GLU A 21 22.319 -5.335 -12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 21 24.803 -3.581 -12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 21 24.609 -4.981 -13.068 1.00 0.00 H new ATOM 0 HG2 GLU A 21 22.597 -3.989 -14.070 1.00 0.00 H new ATOM 0 HG3 GLU A 21 22.720 -2.610 -12.996 1.00 0.00 H new ATOM 332 N PHE A 22 23.359 -7.114 -10.812 1.00 0.00 N ATOM 333 CA PHE A 22 23.940 -8.250 -10.103 1.00 0.00 C ATOM 334 C PHE A 22 24.204 -9.418 -11.048 1.00 0.00 C ATOM 335 O PHE A 22 23.564 -9.520 -12.093 1.00 0.00 O ATOM 336 CB PHE A 22 23.010 -8.721 -8.961 1.00 0.00 C ATOM 337 CG PHE A 22 23.148 -7.954 -7.686 1.00 0.00 C ATOM 338 CD1 PHE A 22 22.780 -6.633 -7.605 1.00 0.00 C ATOM 339 CD2 PHE A 22 23.652 -8.569 -6.556 1.00 0.00 C ATOM 340 CE1 PHE A 22 22.923 -5.951 -6.412 1.00 0.00 C ATOM 341 CE2 PHE A 22 23.792 -7.905 -5.380 1.00 0.00 C ATOM 342 CZ PHE A 22 23.436 -6.591 -5.301 1.00 0.00 C ATOM 0 H PHE A 22 22.541 -7.347 -11.375 1.00 0.00 H new ATOM 0 HA PHE A 22 24.888 -7.915 -9.682 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.977 -8.652 -9.301 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.209 -9.773 -8.759 1.00 0.00 H new ATOM 0 HD1 PHE A 22 22.380 -6.129 -8.472 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.943 -9.608 -6.610 1.00 0.00 H new ATOM 0 HE1 PHE A 22 22.632 -4.913 -6.348 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.183 -8.415 -4.512 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.555 -6.052 -4.372 1.00 0.00 H new ATOM 352 N PRO A 23 25.150 -10.290 -10.684 1.00 0.00 N ATOM 353 CA PRO A 23 25.481 -11.510 -11.438 1.00 0.00 C ATOM 354 C PRO A 23 24.320 -12.525 -11.466 1.00 0.00 C ATOM 355 O PRO A 23 23.470 -12.545 -10.584 1.00 0.00 O ATOM 356 CB PRO A 23 26.689 -12.104 -10.703 1.00 0.00 C ATOM 357 CG PRO A 23 27.176 -11.038 -9.787 1.00 0.00 C ATOM 358 CD PRO A 23 26.000 -10.169 -9.487 1.00 0.00 C ATOM 0 HA PRO A 23 25.685 -11.278 -12.483 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.406 -12.998 -10.146 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.467 -12.399 -11.407 1.00 0.00 H new ATOM 0 HG2 PRO A 23 27.584 -11.469 -8.872 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.976 -10.462 -10.252 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.476 -10.502 -8.591 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.301 -9.136 -9.315 1.00 0.00 H new ATOM 366 N ILE A 24 24.289 -13.342 -12.499 1.00 0.00 N ATOM 367 CA ILE A 24 23.266 -14.357 -12.625 1.00 0.00 C ATOM 368 C ILE A 24 23.457 -15.392 -11.522 1.00 0.00 C ATOM 369 O ILE A 24 24.557 -15.899 -11.297 1.00 0.00 O ATOM 370 CB ILE A 24 23.346 -15.069 -14.015 1.00 0.00 C ATOM 371 CG1 ILE A 24 22.678 -14.247 -15.131 1.00 0.00 C ATOM 372 CG2 ILE A 24 22.732 -16.465 -13.976 1.00 0.00 C ATOM 373 CD1 ILE A 24 23.177 -12.821 -15.299 1.00 0.00 C ATOM 0 H ILE A 24 24.963 -13.322 -13.265 1.00 0.00 H new ATOM 0 HA ILE A 24 22.290 -13.879 -12.539 1.00 0.00 H new ATOM 0 HB ILE A 24 24.409 -15.158 -14.241 1.00 0.00 H new ATOM 0 HG12 ILE A 24 22.817 -14.773 -16.075 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.605 -14.215 -14.939 1.00 0.00 H new ATOM 0 HG21 ILE A 24 22.809 -16.924 -14.962 1.00 0.00 H new ATOM 0 HG22 ILE A 24 23.265 -17.077 -13.248 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.683 -16.393 -13.690 1.00 0.00 H new ATOM 0 HD11 ILE A 24 22.635 -12.340 -16.113 1.00 0.00 H new ATOM 0 HD12 ILE A 24 23.012 -12.266 -14.375 1.00 0.00 H new ATOM 0 HD13 ILE A 24 24.242 -12.833 -15.529 1.00 0.00 H new ATOM 385 N GLY A 25 22.360 -15.718 -10.838 1.00 0.00 N ATOM 386 CA GLY A 25 22.465 -16.602 -9.703 1.00 0.00 C ATOM 387 C GLY A 25 22.833 -15.849 -8.431 1.00 0.00 C ATOM 388 O GLY A 25 23.411 -16.418 -7.512 1.00 0.00 O ATOM 0 H GLY A 25 21.418 -15.388 -11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 25 21.517 -17.120 -9.557 1.00 0.00 H new ATOM 0 HA3 GLY A 25 23.217 -17.364 -9.905 1.00 0.00 H new ATOM 392 N THR A 26 22.509 -14.560 -8.400 1.00 0.00 N ATOM 393 CA THR A 26 22.767 -13.733 -7.226 1.00 0.00 C ATOM 394 C THR A 26 21.447 -13.257 -6.640 1.00 0.00 C ATOM 395 O THR A 26 20.550 -12.838 -7.364 1.00 0.00 O ATOM 396 CB THR A 26 23.661 -12.533 -7.518 1.00 0.00 C ATOM 397 OG1 THR A 26 24.889 -13.002 -8.098 1.00 0.00 O ATOM 398 CG2 THR A 26 24.022 -11.826 -6.227 1.00 0.00 C ATOM 0 H THR A 26 22.067 -14.065 -9.175 1.00 0.00 H new ATOM 0 HA THR A 26 23.304 -14.357 -6.511 1.00 0.00 H new ATOM 0 HB THR A 26 23.131 -11.856 -8.188 1.00 0.00 H new ATOM 0 HG1 THR A 26 25.640 -12.487 -7.736 1.00 0.00 H new ATOM 0 HG21 THR A 26 24.661 -10.971 -6.447 1.00 0.00 H new ATOM 0 HG22 THR A 26 23.113 -11.483 -5.734 1.00 0.00 H new ATOM 0 HG23 THR A 26 24.553 -12.516 -5.571 1.00 0.00 H new ATOM 406 N TYR A 27 21.326 -13.397 -5.356 1.00 0.00 N ATOM 407 CA TYR A 27 20.089 -13.164 -4.667 1.00 0.00 C ATOM 408 C TYR A 27 20.088 -11.796 -3.986 1.00 0.00 C ATOM 409 O TYR A 27 21.034 -11.439 -3.288 1.00 0.00 O ATOM 410 CB TYR A 27 19.994 -14.264 -3.582 1.00 0.00 C ATOM 411 CG TYR A 27 19.728 -15.666 -4.097 1.00 0.00 C ATOM 412 CD1 TYR A 27 20.710 -16.379 -4.800 1.00 0.00 C ATOM 413 CD2 TYR A 27 18.531 -16.305 -3.836 1.00 0.00 C ATOM 414 CE1 TYR A 27 20.492 -17.670 -5.224 1.00 0.00 C ATOM 415 CE2 TYR A 27 18.303 -17.590 -4.262 1.00 0.00 C ATOM 416 CZ TYR A 27 19.290 -18.273 -4.952 1.00 0.00 C ATOM 417 OH TYR A 27 19.067 -19.567 -5.363 1.00 0.00 O ATOM 0 H TYR A 27 22.093 -13.680 -4.746 1.00 0.00 H new ATOM 0 HA TYR A 27 19.252 -13.187 -5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 27 20.926 -14.274 -3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 27 19.201 -13.995 -2.885 1.00 0.00 H new ATOM 0 HD1 TYR A 27 21.657 -15.905 -5.013 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.761 -15.784 -3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 27 21.259 -18.203 -5.765 1.00 0.00 H new ATOM 0 HE2 TYR A 27 17.356 -18.067 -4.059 1.00 0.00 H new ATOM 0 HH TYR A 27 18.168 -19.846 -5.091 1.00 0.00 H new ATOM 427 N LEU A 28 19.012 -11.061 -4.204 1.00 0.00 N ATOM 428 CA LEU A 28 18.770 -9.730 -3.584 1.00 0.00 C ATOM 429 C LEU A 28 17.838 -9.767 -2.391 1.00 0.00 C ATOM 430 O LEU A 28 16.831 -10.445 -2.388 1.00 0.00 O ATOM 431 CB LEU A 28 18.268 -8.673 -4.580 1.00 0.00 C ATOM 432 CG LEU A 28 19.292 -8.089 -5.531 1.00 0.00 C ATOM 433 CD1 LEU A 28 18.608 -7.344 -6.641 1.00 0.00 C ATOM 434 CD2 LEU A 28 20.160 -7.121 -4.792 1.00 0.00 C ATOM 0 H LEU A 28 18.258 -11.359 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 28 19.759 -9.437 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.469 -9.118 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.826 -7.854 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 28 19.886 -8.905 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 28 19.357 -6.930 -7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 28 17.960 -8.026 -7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 28 18.010 -6.535 -6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 28 20.898 -6.699 -5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 28 19.545 -6.320 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 28 20.671 -7.637 -3.979 1.00 0.00 H new ATOM 446 N ASN A 29 18.207 -8.992 -1.401 1.00 0.00 N ATOM 447 CA ASN A 29 17.469 -8.837 -0.157 1.00 0.00 C ATOM 448 C ASN A 29 16.363 -7.784 -0.334 1.00 0.00 C ATOM 449 O ASN A 29 16.637 -6.606 -0.474 1.00 0.00 O ATOM 450 CB ASN A 29 18.405 -8.315 0.939 1.00 0.00 C ATOM 451 CG ASN A 29 17.718 -8.241 2.299 1.00 0.00 C ATOM 452 OD1 ASN A 29 17.141 -7.215 2.659 1.00 0.00 O ATOM 453 ND2 ASN A 29 17.807 -9.322 3.061 1.00 0.00 N ATOM 0 H ASN A 29 19.057 -8.430 -1.433 1.00 0.00 H new ATOM 0 HA ASN A 29 17.049 -9.806 0.112 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.277 -8.965 1.010 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.768 -7.325 0.663 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.386 -9.327 3.990 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.296 -10.149 2.718 1.00 0.00 H new ATOM 460 N TYR A 30 15.162 -8.266 -0.382 1.00 0.00 N ATOM 461 CA TYR A 30 13.936 -7.445 -0.453 1.00 0.00 C ATOM 462 C TYR A 30 13.070 -7.478 0.815 1.00 0.00 C ATOM 463 O TYR A 30 12.888 -8.530 1.429 1.00 0.00 O ATOM 464 CB TYR A 30 13.068 -7.845 -1.644 1.00 0.00 C ATOM 465 CG TYR A 30 13.485 -7.285 -2.978 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.758 -7.439 -3.502 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.539 -6.593 -3.735 1.00 0.00 C ATOM 468 CE1 TYR A 30 15.067 -6.902 -4.745 1.00 0.00 C ATOM 469 CE2 TYR A 30 12.842 -6.078 -4.954 1.00 0.00 C ATOM 470 CZ TYR A 30 14.091 -6.227 -5.455 1.00 0.00 C ATOM 471 OH TYR A 30 14.384 -5.678 -6.678 1.00 0.00 O ATOM 0 H TYR A 30 14.973 -9.268 -0.374 1.00 0.00 H new ATOM 0 HA TYR A 30 14.303 -6.425 -0.567 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.060 -8.933 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.043 -7.531 -1.444 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.510 -7.977 -2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.542 -6.464 -3.342 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.061 -7.011 -5.154 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.089 -5.551 -5.522 1.00 0.00 H new ATOM 0 HH TYR A 30 13.585 -5.241 -7.040 1.00 0.00 H new ATOM 481 N GLU A 31 12.558 -6.296 1.193 1.00 0.00 N ATOM 482 CA GLU A 31 11.565 -6.154 2.252 1.00 0.00 C ATOM 483 C GLU A 31 10.314 -5.454 1.731 1.00 0.00 C ATOM 484 O GLU A 31 10.412 -4.417 1.077 1.00 0.00 O ATOM 485 CB GLU A 31 12.096 -5.367 3.462 1.00 0.00 C ATOM 486 CG GLU A 31 13.171 -6.042 4.281 1.00 0.00 C ATOM 487 CD GLU A 31 13.640 -5.145 5.409 1.00 0.00 C ATOM 488 OE1 GLU A 31 13.129 -4.026 5.531 1.00 0.00 O ATOM 489 OE2 GLU A 31 14.489 -5.581 6.231 1.00 0.00 O ATOM 0 H GLU A 31 12.828 -5.410 0.765 1.00 0.00 H new ATOM 0 HA GLU A 31 11.326 -7.166 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.486 -4.414 3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.256 -5.142 4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.788 -6.977 4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.015 -6.297 3.640 1.00 0.00 H new ATOM 496 N CYS A 32 9.160 -5.996 2.061 1.00 0.00 N ATOM 497 CA CYS A 32 7.863 -5.405 1.705 1.00 0.00 C ATOM 498 C CYS A 32 7.302 -4.621 2.863 1.00 0.00 C ATOM 499 O CYS A 32 7.788 -4.727 3.984 1.00 0.00 O ATOM 500 CB CYS A 32 6.807 -6.454 1.286 1.00 0.00 C ATOM 501 SG CYS A 32 6.953 -7.125 -0.400 1.00 0.00 S ATOM 0 H CYS A 32 9.083 -6.866 2.588 1.00 0.00 H new ATOM 0 HA CYS A 32 8.062 -4.758 0.851 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.854 -7.285 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.820 -6.004 1.390 1.00 0.00 H new ATOM 506 N ARG A 33 6.322 -3.792 2.582 1.00 0.00 N ATOM 507 CA ARG A 33 5.669 -3.032 3.626 1.00 0.00 C ATOM 508 C ARG A 33 4.769 -3.979 4.440 1.00 0.00 C ATOM 509 O ARG A 33 4.538 -5.124 4.045 1.00 0.00 O ATOM 510 CB ARG A 33 4.832 -1.886 3.005 1.00 0.00 C ATOM 511 CG ARG A 33 5.220 -0.522 3.529 1.00 0.00 C ATOM 512 CD ARG A 33 4.293 0.549 3.009 1.00 0.00 C ATOM 513 NE ARG A 33 4.522 0.891 1.601 1.00 0.00 N ATOM 514 CZ ARG A 33 3.660 0.635 0.626 1.00 0.00 C ATOM 515 NH1 ARG A 33 2.594 -0.117 0.871 1.00 0.00 N ATOM 516 NH2 ARG A 33 3.878 1.087 -0.594 1.00 0.00 N ATOM 0 H ARG A 33 5.960 -3.627 1.643 1.00 0.00 H new ATOM 0 HA ARG A 33 6.416 -2.588 4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.952 -1.901 1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.776 -2.062 3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.197 -0.529 4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.244 -0.294 3.234 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.262 0.216 3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.411 1.446 3.616 1.00 0.00 H new ATOM 0 HE ARG A 33 5.398 1.354 1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.441 -0.495 1.806 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.928 -0.317 0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.714 1.637 -0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.211 0.886 -1.339 1.00 0.00 H new ATOM 530 N PRO A 34 4.294 -3.534 5.606 1.00 0.00 N ATOM 531 CA PRO A 34 3.369 -4.317 6.432 1.00 0.00 C ATOM 532 C PRO A 34 2.008 -4.455 5.766 1.00 0.00 C ATOM 533 O PRO A 34 1.625 -3.599 4.961 1.00 0.00 O ATOM 534 CB PRO A 34 3.245 -3.524 7.728 1.00 0.00 C ATOM 535 CG PRO A 34 4.322 -2.494 7.677 1.00 0.00 C ATOM 536 CD PRO A 34 4.599 -2.245 6.229 1.00 0.00 C ATOM 0 HA PRO A 34 3.733 -5.332 6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.263 -3.059 7.810 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.364 -4.172 8.596 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.007 -1.577 8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.218 -2.843 8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.973 -1.447 5.830 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.635 -1.952 6.062 1.00 0.00 H new ATOM 544 N GLY A 35 1.281 -5.534 6.086 1.00 0.00 N ATOM 545 CA GLY A 35 -0.053 -5.704 5.530 1.00 0.00 C ATOM 546 C GLY A 35 -0.097 -6.385 4.190 1.00 0.00 C ATOM 547 O GLY A 35 -1.062 -6.245 3.442 1.00 0.00 O ATOM 0 H GLY A 35 1.589 -6.279 6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.654 -6.280 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.521 -4.724 5.439 1.00 0.00 H new ATOM 551 N TYR A 36 0.958 -7.105 3.867 1.00 0.00 N ATOM 552 CA TYR A 36 0.995 -7.838 2.628 1.00 0.00 C ATOM 553 C TYR A 36 0.818 -9.331 2.815 1.00 0.00 C ATOM 554 O TYR A 36 1.295 -9.918 3.759 1.00 0.00 O ATOM 555 CB TYR A 36 2.254 -7.550 1.833 1.00 0.00 C ATOM 556 CG TYR A 36 2.301 -6.185 1.202 1.00 0.00 C ATOM 557 CD1 TYR A 36 1.336 -5.779 0.297 1.00 0.00 C ATOM 558 CD2 TYR A 36 3.321 -5.319 1.479 1.00 0.00 C ATOM 559 CE1 TYR A 36 1.380 -4.549 -0.302 1.00 0.00 C ATOM 560 CE2 TYR A 36 3.384 -4.078 0.875 1.00 0.00 C ATOM 561 CZ TYR A 36 2.404 -3.703 -0.016 1.00 0.00 C ATOM 562 OH TYR A 36 2.451 -2.477 -0.631 1.00 0.00 O ATOM 0 H TYR A 36 1.794 -7.195 4.444 1.00 0.00 H new ATOM 0 HA TYR A 36 0.139 -7.481 2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.116 -7.661 2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.352 -8.301 1.049 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.526 -6.451 0.057 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.089 -5.609 2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.607 -4.253 -0.996 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.198 -3.405 1.101 1.00 0.00 H new ATOM 0 HH TYR A 36 1.540 -2.174 -0.827 1.00 0.00 H new ATOM 572 N SER A 37 0.027 -9.924 1.934 1.00 0.00 N ATOM 573 CA SER A 37 -0.270 -11.361 1.937 1.00 0.00 C ATOM 574 C SER A 37 0.974 -12.193 1.743 1.00 0.00 C ATOM 575 O SER A 37 1.198 -13.193 2.413 1.00 0.00 O ATOM 576 CB SER A 37 -1.209 -11.660 0.785 1.00 0.00 C ATOM 577 OG SER A 37 -0.619 -11.281 -0.423 1.00 0.00 O ATOM 0 H SER A 37 -0.438 -9.417 1.181 1.00 0.00 H new ATOM 0 HA SER A 37 -0.711 -11.611 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.446 -12.724 0.765 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.149 -11.126 0.923 1.00 0.00 H new ATOM 0 HG SER A 37 -0.843 -11.936 -1.116 1.00 0.00 H new ATOM 583 N GLY A 38 1.789 -11.739 0.841 1.00 0.00 N ATOM 584 CA GLY A 38 2.976 -12.442 0.530 1.00 0.00 C ATOM 585 C GLY A 38 4.157 -11.914 1.293 1.00 0.00 C ATOM 586 O GLY A 38 4.059 -10.904 1.988 1.00 0.00 O ATOM 0 H GLY A 38 1.645 -10.880 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.841 -13.500 0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.172 -12.367 -0.540 1.00 0.00 H new ATOM 590 N ARG A 39 5.274 -12.580 1.158 1.00 0.00 N ATOM 591 CA ARG A 39 6.528 -12.195 1.804 1.00 0.00 C ATOM 592 C ARG A 39 7.626 -12.266 0.786 1.00 0.00 C ATOM 593 O ARG A 39 7.737 -13.268 0.050 1.00 0.00 O ATOM 594 CB ARG A 39 6.843 -13.127 2.985 1.00 0.00 C ATOM 595 CG ARG A 39 5.865 -13.031 4.140 1.00 0.00 C ATOM 596 CD ARG A 39 5.966 -11.667 4.865 1.00 0.00 C ATOM 597 NE ARG A 39 5.033 -11.569 5.995 1.00 0.00 N ATOM 598 CZ ARG A 39 3.709 -11.449 5.875 1.00 0.00 C ATOM 599 NH1 ARG A 39 3.155 -11.385 4.674 1.00 0.00 N ATOM 600 NH2 ARG A 39 2.941 -11.393 6.950 1.00 0.00 N ATOM 0 H ARG A 39 5.352 -13.422 0.588 1.00 0.00 H new ATOM 0 HA ARG A 39 6.440 -11.181 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.861 -14.156 2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.844 -12.901 3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.850 -13.172 3.769 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.060 -13.835 4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.985 -11.523 5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.761 -10.865 4.156 1.00 0.00 H new ATOM 0 HE ARG A 39 5.424 -11.594 6.937 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.740 -11.427 3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.143 -11.293 4.583 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.360 -11.442 7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.930 -11.301 6.850 1.00 0.00 H new ATOM 614 N PRO A 40 8.437 -11.213 0.682 1.00 0.00 N ATOM 615 CA PRO A 40 9.515 -11.182 -0.269 1.00 0.00 C ATOM 616 C PRO A 40 10.526 -12.241 -0.023 1.00 0.00 C ATOM 617 O PRO A 40 10.824 -12.596 1.119 1.00 0.00 O ATOM 618 CB PRO A 40 10.183 -9.835 -0.054 1.00 0.00 C ATOM 619 CG PRO A 40 9.231 -9.033 0.731 1.00 0.00 C ATOM 620 CD PRO A 40 8.378 -10.005 1.500 1.00 0.00 C ATOM 0 HA PRO A 40 9.129 -11.340 -1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.129 -9.948 0.476 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.407 -9.354 -1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.758 -8.360 1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.618 -8.412 0.078 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.767 -10.178 2.503 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.356 -9.643 1.613 1.00 0.00 H new ATOM 628 N PHE A 41 11.040 -12.739 -1.091 1.00 0.00 N ATOM 629 CA PHE A 41 12.134 -13.639 -1.089 1.00 0.00 C ATOM 630 C PHE A 41 13.076 -13.161 -2.155 1.00 0.00 C ATOM 631 O PHE A 41 12.649 -12.443 -3.061 1.00 0.00 O ATOM 632 CB PHE A 41 11.720 -15.091 -1.245 1.00 0.00 C ATOM 633 CG PHE A 41 10.900 -15.579 -0.071 1.00 0.00 C ATOM 634 CD1 PHE A 41 11.508 -15.881 1.129 1.00 0.00 C ATOM 635 CD2 PHE A 41 9.515 -15.704 -0.168 1.00 0.00 C ATOM 636 CE1 PHE A 41 10.766 -16.305 2.223 1.00 0.00 C ATOM 637 CE2 PHE A 41 8.773 -16.134 0.921 1.00 0.00 C ATOM 638 CZ PHE A 41 9.400 -16.433 2.112 1.00 0.00 C ATOM 0 H PHE A 41 10.695 -12.521 -2.026 1.00 0.00 H new ATOM 0 HA PHE A 41 12.631 -13.636 -0.119 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.143 -15.206 -2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.610 -15.712 -1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 41 12.580 -15.786 1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.018 -15.465 -1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.258 -16.533 3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.701 -16.235 0.836 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.819 -16.768 2.958 1.00 0.00 H new ATOM 648 N SER A 42 14.323 -13.500 -2.070 1.00 0.00 N ATOM 649 CA SER A 42 15.280 -12.908 -2.955 1.00 0.00 C ATOM 650 C SER A 42 14.986 -13.205 -4.439 1.00 0.00 C ATOM 651 O SER A 42 14.540 -14.296 -4.810 1.00 0.00 O ATOM 652 CB SER A 42 16.688 -13.430 -2.601 1.00 0.00 C ATOM 653 OG SER A 42 17.060 -13.082 -1.294 1.00 0.00 O ATOM 0 H SER A 42 14.701 -14.175 -1.406 1.00 0.00 H new ATOM 0 HA SER A 42 15.219 -11.828 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.711 -14.514 -2.709 1.00 0.00 H new ATOM 0 HB3 SER A 42 17.414 -13.024 -3.306 1.00 0.00 H new ATOM 0 HG SER A 42 17.110 -12.106 -1.217 1.00 0.00 H new ATOM 659 N ILE A 43 15.229 -12.180 -5.244 1.00 0.00 N ATOM 660 CA ILE A 43 15.071 -12.250 -6.679 1.00 0.00 C ATOM 661 C ILE A 43 16.432 -12.549 -7.312 1.00 0.00 C ATOM 662 O ILE A 43 17.469 -12.030 -6.861 1.00 0.00 O ATOM 663 CB ILE A 43 14.491 -10.953 -7.291 1.00 0.00 C ATOM 664 CG1 ILE A 43 15.401 -9.751 -6.998 1.00 0.00 C ATOM 665 CG2 ILE A 43 13.054 -10.676 -6.825 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.982 -8.511 -7.726 1.00 0.00 C ATOM 0 H ILE A 43 15.544 -11.269 -4.910 1.00 0.00 H new ATOM 0 HA ILE A 43 14.355 -13.044 -6.890 1.00 0.00 H new ATOM 0 HB ILE A 43 14.452 -11.104 -8.370 1.00 0.00 H new ATOM 0 HG12 ILE A 43 15.401 -9.554 -5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.425 -10.001 -7.276 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.694 -9.755 -7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.410 -11.504 -7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.037 -10.572 -5.740 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.663 -7.696 -7.479 1.00 0.00 H new ATOM 0 HD12 ILE A 43 15.009 -8.693 -8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.969 -8.240 -7.429 1.00 0.00 H new ATOM 678 N ILE A 44 16.429 -13.426 -8.261 1.00 0.00 N ATOM 679 CA ILE A 44 17.649 -13.943 -8.893 1.00 0.00 C ATOM 680 C ILE A 44 17.481 -13.848 -10.465 1.00 0.00 C ATOM 681 O ILE A 44 16.367 -13.975 -10.937 1.00 0.00 O ATOM 682 CB ILE A 44 17.870 -15.406 -8.460 1.00 0.00 C ATOM 683 CG1 ILE A 44 17.505 -15.579 -6.995 1.00 0.00 C ATOM 684 CG2 ILE A 44 19.331 -15.756 -8.587 1.00 0.00 C ATOM 685 CD1 ILE A 44 16.230 -16.344 -6.776 1.00 0.00 C ATOM 0 H ILE A 44 15.572 -13.826 -8.643 1.00 0.00 H new ATOM 0 HA ILE A 44 18.515 -13.357 -8.586 1.00 0.00 H new ATOM 0 HB ILE A 44 17.252 -16.043 -9.093 1.00 0.00 H new ATOM 0 HG12 ILE A 44 18.319 -16.094 -6.485 1.00 0.00 H new ATOM 0 HG13 ILE A 44 17.412 -14.596 -6.534 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.485 -16.791 -8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 44 19.646 -15.634 -9.623 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.920 -15.097 -7.949 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.035 -16.427 -5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.404 -15.819 -7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.325 -17.341 -7.206 1.00 0.00 H new ATOM 697 N CYS A 45 18.559 -13.508 -11.267 1.00 0.00 N ATOM 698 CA CYS A 45 18.380 -13.314 -12.783 1.00 0.00 C ATOM 699 C CYS A 45 17.928 -14.654 -13.529 1.00 0.00 C ATOM 700 O CYS A 45 18.289 -14.865 -14.683 1.00 0.00 O ATOM 701 CB CYS A 45 19.676 -12.869 -13.553 1.00 0.00 C ATOM 702 SG CYS A 45 21.069 -11.985 -12.753 1.00 0.00 S ATOM 0 H CYS A 45 19.510 -13.367 -10.926 1.00 0.00 H new ATOM 0 HA CYS A 45 17.623 -12.531 -12.816 1.00 0.00 H new ATOM 0 HB2 CYS A 45 20.097 -13.772 -13.994 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.343 -12.237 -14.377 1.00 0.00 H new ATOM 707 N LEU A 46 17.178 -15.494 -12.863 1.00 0.00 N ATOM 708 CA LEU A 46 16.868 -16.841 -13.334 1.00 0.00 C ATOM 709 C LEU A 46 16.053 -16.871 -14.636 1.00 0.00 C ATOM 710 O LEU A 46 16.346 -17.660 -15.549 1.00 0.00 O ATOM 711 CB LEU A 46 16.035 -17.573 -12.315 1.00 0.00 C ATOM 712 CG LEU A 46 16.707 -17.843 -10.996 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.758 -18.537 -10.043 1.00 0.00 C ATOM 714 CD2 LEU A 46 18.004 -18.574 -11.134 1.00 0.00 C ATOM 0 H LEU A 46 16.754 -15.268 -11.963 1.00 0.00 H new ATOM 0 HA LEU A 46 17.839 -17.306 -13.503 1.00 0.00 H new ATOM 0 HB2 LEU A 46 15.130 -16.995 -12.129 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.722 -18.525 -12.744 1.00 0.00 H new ATOM 0 HG LEU A 46 16.967 -16.875 -10.568 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.265 -18.723 -9.096 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.888 -17.904 -9.871 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.437 -19.485 -10.475 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.437 -18.737 -10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.830 -19.535 -11.617 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.692 -17.983 -11.739 1.00 0.00 H new ATOM 726 N LYS A 47 15.049 -15.994 -14.750 1.00 0.00 N ATOM 727 CA LYS A 47 14.066 -16.163 -15.794 1.00 0.00 C ATOM 728 C LYS A 47 14.480 -15.294 -16.989 1.00 0.00 C ATOM 729 O LYS A 47 14.380 -14.086 -16.949 1.00 0.00 O ATOM 730 CB LYS A 47 12.701 -15.649 -15.268 1.00 0.00 C ATOM 731 CG LYS A 47 11.639 -16.046 -16.203 1.00 0.00 C ATOM 732 CD LYS A 47 11.494 -17.543 -16.019 1.00 0.00 C ATOM 733 CE LYS A 47 10.722 -18.202 -17.084 1.00 0.00 C ATOM 734 NZ LYS A 47 9.267 -17.885 -17.092 1.00 0.00 N ATOM 0 H LYS A 47 14.908 -15.185 -14.144 1.00 0.00 H new ATOM 0 HA LYS A 47 13.993 -17.210 -16.087 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.502 -16.060 -14.278 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.723 -14.564 -15.165 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.705 -15.529 -15.982 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.905 -15.799 -17.231 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.486 -17.991 -15.972 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.012 -17.736 -15.061 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.146 -17.920 -18.048 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.843 -19.281 -16.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.805 -18.392 -17.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.842 -18.180 -16.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.135 -16.861 -17.218 1.00 0.00 H new ATOM 748 N ASN A 48 14.933 -15.959 -18.056 1.00 0.00 N ATOM 749 CA ASN A 48 15.407 -15.268 -19.272 1.00 0.00 C ATOM 750 C ASN A 48 16.520 -14.262 -18.914 1.00 0.00 C ATOM 751 O ASN A 48 16.623 -13.195 -19.508 1.00 0.00 O ATOM 752 CB ASN A 48 14.254 -14.540 -19.997 1.00 0.00 C ATOM 753 CG ASN A 48 14.644 -14.096 -21.410 1.00 0.00 C ATOM 754 OD1 ASN A 48 15.370 -14.812 -22.120 1.00 0.00 O ATOM 755 ND2 ASN A 48 14.210 -12.919 -21.813 1.00 0.00 N ATOM 0 H ASN A 48 14.984 -16.976 -18.108 1.00 0.00 H new ATOM 0 HA ASN A 48 15.806 -16.024 -19.948 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.388 -15.200 -20.052 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.954 -13.669 -19.415 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.469 -12.568 -22.735 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.615 -12.358 -21.203 1.00 0.00 H new ATOM 762 N SER A 49 17.390 -14.655 -17.972 1.00 0.00 N ATOM 763 CA SER A 49 18.470 -13.767 -17.466 1.00 0.00 C ATOM 764 C SER A 49 17.849 -12.491 -16.865 1.00 0.00 C ATOM 765 O SER A 49 18.464 -11.430 -16.810 1.00 0.00 O ATOM 766 CB SER A 49 19.459 -13.425 -18.567 1.00 0.00 C ATOM 767 OG SER A 49 19.722 -14.561 -19.380 1.00 0.00 O ATOM 0 H SER A 49 17.375 -15.579 -17.540 1.00 0.00 H new ATOM 0 HA SER A 49 19.022 -14.293 -16.687 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.061 -12.617 -19.181 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.389 -13.064 -18.128 1.00 0.00 H new ATOM 0 HG SER A 49 20.360 -14.319 -20.084 1.00 0.00 H new ATOM 773 N VAL A 50 16.633 -12.642 -16.397 1.00 0.00 N ATOM 774 CA VAL A 50 15.864 -11.613 -15.779 1.00 0.00 C ATOM 775 C VAL A 50 15.400 -12.217 -14.480 1.00 0.00 C ATOM 776 O VAL A 50 15.412 -13.420 -14.311 1.00 0.00 O ATOM 777 CB VAL A 50 14.628 -11.170 -16.679 1.00 0.00 C ATOM 778 CG1 VAL A 50 13.645 -10.256 -15.931 1.00 0.00 C ATOM 779 CG2 VAL A 50 15.098 -10.525 -17.968 1.00 0.00 C ATOM 0 H VAL A 50 16.138 -13.533 -16.444 1.00 0.00 H new ATOM 0 HA VAL A 50 16.450 -10.705 -15.633 1.00 0.00 H new ATOM 0 HB VAL A 50 14.080 -12.079 -16.927 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.823 -9.986 -16.594 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.252 -10.780 -15.060 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.162 -9.353 -15.608 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.234 -10.232 -18.564 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.696 -9.643 -17.737 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.703 -11.236 -18.531 1.00 0.00 H new ATOM 789 N TRP A 51 15.009 -11.421 -13.597 1.00 0.00 N ATOM 790 CA TRP A 51 14.694 -11.818 -12.260 1.00 0.00 C ATOM 791 C TRP A 51 13.466 -12.721 -12.197 1.00 0.00 C ATOM 792 O TRP A 51 12.593 -12.699 -13.051 1.00 0.00 O ATOM 793 CB TRP A 51 14.550 -10.599 -11.389 1.00 0.00 C ATOM 794 CG TRP A 51 15.749 -9.698 -11.502 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.960 -8.765 -12.456 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.890 -9.645 -10.635 1.00 0.00 C ATOM 797 NE1 TRP A 51 17.153 -8.117 -12.243 1.00 0.00 N ATOM 798 CE2 TRP A 51 17.738 -8.624 -11.124 1.00 0.00 C ATOM 799 CE3 TRP A 51 17.279 -10.336 -9.499 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.936 -8.289 -10.506 1.00 0.00 C ATOM 801 CZ3 TRP A 51 18.470 -10.010 -8.884 1.00 0.00 C ATOM 802 CH2 TRP A 51 19.286 -9.004 -9.381 1.00 0.00 C ATOM 0 H TRP A 51 14.885 -10.423 -13.765 1.00 0.00 H new ATOM 0 HA TRP A 51 15.519 -12.419 -11.878 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.653 -10.050 -11.674 1.00 0.00 H new ATOM 0 HB3 TRP A 51 14.420 -10.905 -10.351 1.00 0.00 H new ATOM 0 HD1 TRP A 51 15.285 -8.557 -13.273 1.00 0.00 H new ATOM 0 HE1 TRP A 51 17.538 -7.376 -12.829 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.656 -11.122 -9.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 19.567 -7.501 -10.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.773 -10.548 -7.998 1.00 0.00 H new ATOM 0 HH2 TRP A 51 20.213 -8.777 -8.876 1.00 0.00 H new ATOM 813 N THR A 52 13.447 -13.509 -11.159 1.00 0.00 N ATOM 814 CA THR A 52 12.569 -14.652 -10.995 1.00 0.00 C ATOM 815 C THR A 52 11.102 -14.269 -10.935 1.00 0.00 C ATOM 816 O THR A 52 10.241 -15.023 -11.377 1.00 0.00 O ATOM 817 CB THR A 52 12.935 -15.312 -9.668 1.00 0.00 C ATOM 818 OG1 THR A 52 12.782 -14.373 -8.604 1.00 0.00 O ATOM 819 CG2 THR A 52 14.340 -15.695 -9.715 1.00 0.00 C ATOM 0 H THR A 52 14.069 -13.372 -10.362 1.00 0.00 H new ATOM 0 HA THR A 52 12.701 -15.309 -11.855 1.00 0.00 H new ATOM 0 HB THR A 52 12.290 -16.176 -9.505 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.016 -14.801 -7.754 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.620 -16.169 -8.774 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.499 -16.395 -10.535 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.954 -14.808 -9.871 1.00 0.00 H new ATOM 827 N GLY A 53 10.834 -13.119 -10.396 1.00 0.00 N ATOM 828 CA GLY A 53 9.485 -12.652 -10.307 1.00 0.00 C ATOM 829 C GLY A 53 9.309 -11.758 -9.135 1.00 0.00 C ATOM 830 O GLY A 53 8.811 -12.182 -8.094 1.00 0.00 O ATOM 0 H GLY A 53 11.534 -12.485 -10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.220 -12.118 -11.220 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.807 -13.501 -10.226 1.00 0.00 H new ATOM 834 N ALA A 54 9.801 -10.548 -9.266 1.00 0.00 N ATOM 835 CA ALA A 54 9.687 -9.537 -8.223 1.00 0.00 C ATOM 836 C ALA A 54 8.249 -8.997 -8.156 1.00 0.00 C ATOM 837 O ALA A 54 7.847 -8.345 -7.176 1.00 0.00 O ATOM 838 CB ALA A 54 10.652 -8.404 -8.518 1.00 0.00 C ATOM 0 H ALA A 54 10.295 -10.229 -10.100 1.00 0.00 H new ATOM 0 HA ALA A 54 9.932 -9.986 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.570 -7.645 -7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.671 -8.791 -8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.409 -7.961 -9.484 1.00 0.00 H new ATOM 844 N LYS A 55 7.483 -9.302 -9.176 1.00 0.00 N ATOM 845 CA LYS A 55 6.131 -8.846 -9.320 1.00 0.00 C ATOM 846 C LYS A 55 5.108 -9.620 -8.466 1.00 0.00 C ATOM 847 O LYS A 55 5.254 -10.813 -8.209 1.00 0.00 O ATOM 848 CB LYS A 55 5.728 -8.876 -10.778 1.00 0.00 C ATOM 849 CG LYS A 55 4.350 -8.357 -10.977 1.00 0.00 C ATOM 850 CD LYS A 55 3.915 -8.334 -12.391 1.00 0.00 C ATOM 851 CE LYS A 55 2.529 -7.780 -12.422 1.00 0.00 C ATOM 852 NZ LYS A 55 1.971 -7.689 -13.783 1.00 0.00 N ATOM 0 H LYS A 55 7.797 -9.891 -9.947 1.00 0.00 H new ATOM 0 HA LYS A 55 6.116 -7.823 -8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.429 -8.280 -11.362 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.790 -9.898 -11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.655 -8.971 -10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.291 -7.346 -10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.588 -7.720 -12.990 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.937 -9.338 -12.816 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.880 -8.408 -11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.531 -6.788 -11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.008 -7.298 -13.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.570 -7.068 -14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.940 -8.637 -14.210 1.00 0.00 H new ATOM 866 N ASP A 56 4.145 -8.833 -7.925 1.00 0.00 N ATOM 867 CA ASP A 56 2.942 -9.311 -7.166 1.00 0.00 C ATOM 868 C ASP A 56 3.278 -10.238 -6.036 1.00 0.00 C ATOM 869 O ASP A 56 2.475 -11.052 -5.575 1.00 0.00 O ATOM 870 CB ASP A 56 1.851 -9.902 -8.124 1.00 0.00 C ATOM 871 CG ASP A 56 2.161 -11.278 -8.747 1.00 0.00 C ATOM 872 OD1 ASP A 56 3.001 -11.342 -9.671 1.00 0.00 O ATOM 873 OD2 ASP A 56 1.528 -12.284 -8.353 1.00 0.00 O ATOM 0 H ASP A 56 4.177 -7.816 -8.002 1.00 0.00 H new ATOM 0 HA ASP A 56 2.512 -8.429 -6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.916 -9.980 -7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.684 -9.190 -8.933 1.00 0.00 H new ATOM 878 N ARG A 57 4.455 -10.039 -5.522 1.00 0.00 N ATOM 879 CA ARG A 57 4.959 -10.803 -4.383 1.00 0.00 C ATOM 880 C ARG A 57 4.150 -10.514 -3.137 1.00 0.00 C ATOM 881 O ARG A 57 3.829 -11.425 -2.354 1.00 0.00 O ATOM 882 CB ARG A 57 6.367 -10.371 -4.066 1.00 0.00 C ATOM 883 CG ARG A 57 7.336 -10.616 -5.184 1.00 0.00 C ATOM 884 CD ARG A 57 7.495 -12.064 -5.506 1.00 0.00 C ATOM 885 NE ARG A 57 7.914 -12.868 -4.356 1.00 0.00 N ATOM 886 CZ ARG A 57 8.546 -14.029 -4.467 1.00 0.00 C ATOM 887 NH1 ARG A 57 9.040 -14.387 -5.641 1.00 0.00 N ATOM 888 NH2 ARG A 57 8.726 -14.803 -3.407 1.00 0.00 N ATOM 0 H ARG A 57 5.110 -9.340 -5.873 1.00 0.00 H new ATOM 0 HA ARG A 57 4.901 -11.858 -4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.366 -9.308 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.709 -10.901 -3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.998 -10.086 -6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.307 -10.200 -4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.550 -12.451 -5.887 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.229 -12.174 -6.304 1.00 0.00 H new ATOM 0 HE ARG A 57 7.709 -12.517 -3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.933 -13.773 -6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.528 -15.277 -5.739 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.377 -14.508 -2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.213 -15.694 -3.503 1.00 0.00 H new ATOM 902 N CYS A 58 3.824 -9.270 -2.961 1.00 0.00 N ATOM 903 CA CYS A 58 3.136 -8.828 -1.800 1.00 0.00 C ATOM 904 C CYS A 58 1.836 -8.192 -2.202 1.00 0.00 C ATOM 905 O CYS A 58 1.797 -7.366 -3.110 1.00 0.00 O ATOM 906 CB CYS A 58 4.029 -7.842 -1.058 1.00 0.00 C ATOM 907 SG CYS A 58 5.557 -8.608 -0.406 1.00 0.00 S ATOM 0 H CYS A 58 4.033 -8.529 -3.631 1.00 0.00 H new ATOM 0 HA CYS A 58 2.910 -9.666 -1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.297 -7.027 -1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.469 -7.404 -0.232 1.00 0.00 H new ATOM 912 N ARG A 59 0.777 -8.533 -1.503 1.00 0.00 N ATOM 913 CA ARG A 59 -0.550 -8.073 -1.886 1.00 0.00 C ATOM 914 C ARG A 59 -1.217 -7.495 -0.644 1.00 0.00 C ATOM 915 O ARG A 59 -1.145 -8.115 0.407 1.00 0.00 O ATOM 916 CB ARG A 59 -1.240 -9.332 -2.390 1.00 0.00 C ATOM 917 CG ARG A 59 -0.494 -9.901 -3.602 1.00 0.00 C ATOM 918 CD ARG A 59 -1.020 -11.216 -4.111 1.00 0.00 C ATOM 919 NE ARG A 59 -2.372 -11.143 -4.674 1.00 0.00 N ATOM 920 CZ ARG A 59 -3.058 -12.208 -5.099 1.00 0.00 C ATOM 921 NH1 ARG A 59 -2.449 -13.383 -5.243 1.00 0.00 N ATOM 922 NH2 ARG A 59 -4.317 -12.087 -5.433 1.00 0.00 N ATOM 0 H ARG A 59 0.802 -9.123 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.571 -7.294 -2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.277 -10.077 -1.595 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.271 -9.105 -2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.536 -9.172 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.556 -10.024 -3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.340 -11.596 -4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.017 -11.937 -3.294 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.814 -10.227 -4.745 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.456 -13.472 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.976 -14.194 -5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.777 -11.179 -5.369 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.839 -12.901 -5.757 1.00 0.00 H new ATOM 936 N ARG A 60 -1.867 -6.351 -0.753 1.00 0.00 N ATOM 937 CA ARG A 60 -2.457 -5.724 0.437 1.00 0.00 C ATOM 938 C ARG A 60 -3.964 -6.073 0.582 1.00 0.00 C ATOM 939 O ARG A 60 -4.605 -6.476 -0.377 1.00 0.00 O ATOM 940 CB ARG A 60 -2.217 -4.208 0.467 1.00 0.00 C ATOM 941 CG ARG A 60 -3.466 -3.402 0.290 1.00 0.00 C ATOM 942 CD ARG A 60 -3.871 -3.332 -1.153 1.00 0.00 C ATOM 943 NE ARG A 60 -2.931 -2.606 -1.975 1.00 0.00 N ATOM 944 CZ ARG A 60 -3.280 -1.591 -2.785 1.00 0.00 C ATOM 945 NH1 ARG A 60 -4.545 -1.147 -2.814 1.00 0.00 N ATOM 946 NH2 ARG A 60 -2.372 -1.021 -3.566 1.00 0.00 N ATOM 0 H ARG A 60 -2.003 -5.840 -1.625 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.945 -6.142 1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.753 -3.940 1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.510 -3.945 -0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.272 -3.844 0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.309 -2.394 0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.978 -4.344 -1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.849 -2.857 -1.226 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.949 -2.878 -1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.251 -1.580 -2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.801 -0.377 -3.431 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.407 -1.353 -3.553 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.638 -0.251 -4.180 1.00 0.00 H new ATOM 960 N LYS A 61 -4.502 -5.873 1.789 1.00 0.00 N ATOM 961 CA LYS A 61 -5.894 -6.235 2.127 1.00 0.00 C ATOM 962 C LYS A 61 -6.881 -5.079 1.853 1.00 0.00 C ATOM 963 O LYS A 61 -6.481 -3.926 1.711 1.00 0.00 O ATOM 964 CB LYS A 61 -5.995 -6.581 3.576 1.00 0.00 C ATOM 965 CG LYS A 61 -7.361 -7.058 3.965 1.00 0.00 C ATOM 966 CD LYS A 61 -7.429 -7.445 5.404 1.00 0.00 C ATOM 967 CE LYS A 61 -8.800 -7.921 5.729 1.00 0.00 C ATOM 968 NZ LYS A 61 -8.927 -8.325 7.155 1.00 0.00 N ATOM 0 H LYS A 61 -3.989 -5.455 2.565 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.157 -7.085 1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.264 -7.354 3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.737 -5.706 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.090 -6.272 3.766 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.637 -7.912 3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.702 -8.229 5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.171 -6.593 6.033 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.519 -7.131 5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.051 -8.767 5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.932 -8.438 7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.431 -9.227 7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.506 -7.593 7.762 1.00 0.00 H new ATOM 982 N SER A 62 -8.137 -5.440 1.631 1.00 0.00 N ATOM 983 CA SER A 62 -9.230 -4.484 1.408 1.00 0.00 C ATOM 984 C SER A 62 -9.681 -3.732 2.721 1.00 0.00 C ATOM 985 O SER A 62 -9.829 -4.346 3.798 1.00 0.00 O ATOM 986 CB SER A 62 -10.410 -5.222 0.767 1.00 0.00 C ATOM 987 OG SER A 62 -11.506 -4.347 0.508 1.00 0.00 O ATOM 0 H SER A 62 -8.437 -6.414 1.599 1.00 0.00 H new ATOM 0 HA SER A 62 -8.861 -3.707 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.086 -5.684 -0.165 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.736 -6.027 1.426 1.00 0.00 H new ATOM 0 HG SER A 62 -12.238 -4.853 0.098 1.00 0.00 H new ATOM 993 N CYS A 63 -9.971 -2.438 2.577 1.00 0.00 N ATOM 994 CA CYS A 63 -10.505 -1.574 3.672 1.00 0.00 C ATOM 995 C CYS A 63 -12.050 -1.598 3.679 1.00 0.00 C ATOM 996 O CYS A 63 -12.664 -1.957 2.697 1.00 0.00 O ATOM 997 CB CYS A 63 -10.002 -0.099 3.599 1.00 0.00 C ATOM 998 SG CYS A 63 -8.862 0.420 4.936 1.00 0.00 S ATOM 0 H CYS A 63 -9.847 -1.940 1.695 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.122 -1.995 4.601 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.501 0.047 2.642 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.869 0.562 3.609 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.653 -1.254 4.818 1.00 0.00 N ATOM 1004 CA ARG A 64 -14.118 -1.214 4.942 1.00 0.00 C ATOM 1005 C ARG A 64 -14.461 -0.001 5.786 1.00 0.00 C ATOM 1006 O ARG A 64 -13.636 0.426 6.572 1.00 0.00 O ATOM 1007 CB ARG A 64 -14.626 -2.447 5.688 1.00 0.00 C ATOM 1008 CG ARG A 64 -14.310 -2.385 7.182 1.00 0.00 C ATOM 1009 CD ARG A 64 -12.971 -2.988 7.500 1.00 0.00 C ATOM 1010 NE ARG A 64 -13.020 -4.416 7.325 1.00 0.00 N ATOM 1011 CZ ARG A 64 -13.372 -5.253 8.320 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -13.352 -4.822 9.588 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -13.690 -6.512 8.065 1.00 0.00 N ATOM 0 H ARG A 64 -12.153 -0.999 5.670 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.570 -1.178 3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.703 -2.536 5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.174 -3.341 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.328 -1.347 7.513 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -15.086 -2.911 7.739 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.207 -2.560 6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.689 -2.748 8.525 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.779 -4.808 6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.071 -3.864 9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.618 -5.452 10.345 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.670 -6.859 7.106 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.955 -7.136 8.827 1.00 0.00 H new ATOM 1027 N ASN A 65 -15.652 0.551 5.661 1.00 0.00 N ATOM 1028 CA ASN A 65 -15.974 1.680 6.514 1.00 0.00 C ATOM 1029 C ASN A 65 -17.416 1.672 7.027 1.00 0.00 C ATOM 1030 O ASN A 65 -18.283 2.359 6.540 1.00 0.00 O ATOM 1031 CB ASN A 65 -15.552 3.049 5.894 1.00 0.00 C ATOM 1032 CG ASN A 65 -16.549 3.670 4.929 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -16.892 4.829 5.054 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -16.984 2.919 3.952 1.00 0.00 N ATOM 0 H ASN A 65 -16.381 0.256 5.012 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.358 1.552 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.372 3.754 6.705 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.605 2.914 5.372 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.632 3.302 3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.675 1.950 3.877 1.00 0.00 H new ATOM 1041 N PRO A 66 -17.691 0.818 8.036 1.00 0.00 N ATOM 1042 CA PRO A 66 -19.001 0.785 8.720 1.00 0.00 C ATOM 1043 C PRO A 66 -19.332 2.082 9.570 1.00 0.00 C ATOM 1044 O PRO A 66 -20.489 2.316 9.863 1.00 0.00 O ATOM 1045 CB PRO A 66 -18.917 -0.444 9.619 1.00 0.00 C ATOM 1046 CG PRO A 66 -17.782 -1.253 9.077 1.00 0.00 C ATOM 1047 CD PRO A 66 -16.791 -0.229 8.572 1.00 0.00 C ATOM 0 HA PRO A 66 -19.809 0.747 7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.738 -0.161 10.656 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.848 -1.010 9.599 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.341 -1.884 9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -18.113 -1.913 8.275 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -16.151 0.150 9.369 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.135 -0.638 7.804 1.00 0.00 H new ATOM 1055 N PRO A 67 -18.310 2.925 9.978 1.00 0.00 N ATOM 1056 CA PRO A 67 -18.572 4.182 10.697 1.00 0.00 C ATOM 1057 C PRO A 67 -19.417 5.140 9.868 1.00 0.00 C ATOM 1058 O PRO A 67 -19.999 6.054 10.435 1.00 0.00 O ATOM 1059 CB PRO A 67 -17.156 4.812 10.851 1.00 0.00 C ATOM 1060 CG PRO A 67 -16.230 3.902 10.116 1.00 0.00 C ATOM 1061 CD PRO A 67 -16.890 2.596 10.047 1.00 0.00 C ATOM 0 HA PRO A 67 -19.104 4.003 11.631 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -17.128 5.819 10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -16.875 4.893 11.901 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.024 4.285 9.116 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.273 3.825 10.632 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.568 2.031 9.172 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.663 1.987 10.922 1.00 0.00 H new ATOM 1069 N ASP A 68 -19.375 4.957 8.511 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.218 5.691 7.505 1.00 0.00 C ATOM 1071 C ASP A 68 -21.221 6.657 8.133 1.00 0.00 C ATOM 1072 O ASP A 68 -22.047 6.251 8.973 1.00 0.00 O ATOM 1073 CB ASP A 68 -20.951 4.671 6.611 1.00 0.00 C ATOM 1074 CG ASP A 68 -22.142 5.235 5.835 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -21.937 6.109 4.965 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -23.276 4.768 6.095 1.00 0.00 O ATOM 0 H ASP A 68 -18.744 4.284 8.076 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.540 6.305 6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.238 4.254 5.900 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -21.299 3.847 7.234 1.00 0.00 H new ATOM 1081 N PRO A 69 -21.243 7.911 7.679 1.00 0.00 N ATOM 1082 CA PRO A 69 -22.055 8.939 8.294 1.00 0.00 C ATOM 1083 C PRO A 69 -23.536 8.601 8.242 1.00 0.00 C ATOM 1084 O PRO A 69 -24.012 8.015 7.288 1.00 0.00 O ATOM 1085 CB PRO A 69 -21.784 10.193 7.458 1.00 0.00 C ATOM 1086 CG PRO A 69 -20.567 9.897 6.661 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.482 8.413 6.530 1.00 0.00 C ATOM 0 HA PRO A 69 -21.807 9.058 9.349 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.630 10.420 6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -21.630 11.063 8.097 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -20.625 10.368 5.680 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.678 10.292 7.153 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -20.910 8.070 5.588 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -19.448 8.069 6.555 1.00 0.00 H new ATOM 1095 N VAL A 70 -24.249 9.025 9.253 1.00 0.00 N ATOM 1096 CA VAL A 70 -25.661 8.701 9.417 1.00 0.00 C ATOM 1097 C VAL A 70 -26.472 9.249 8.226 1.00 0.00 C ATOM 1098 O VAL A 70 -27.532 8.736 7.880 1.00 0.00 O ATOM 1099 CB VAL A 70 -26.207 9.321 10.728 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -27.703 9.129 10.838 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -25.496 8.742 11.940 1.00 0.00 C ATOM 0 H VAL A 70 -23.872 9.611 9.998 1.00 0.00 H new ATOM 0 HA VAL A 70 -25.761 7.616 9.460 1.00 0.00 H new ATOM 0 HB VAL A 70 -26.008 10.392 10.699 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -28.060 9.574 11.767 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -28.195 9.611 9.993 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -27.934 8.064 10.833 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -25.897 9.193 12.847 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -25.651 7.664 11.972 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -24.429 8.953 11.871 1.00 0.00 H new ATOM 1111 N ASN A 71 -25.929 10.284 7.598 1.00 0.00 N ATOM 1112 CA ASN A 71 -26.595 10.899 6.452 1.00 0.00 C ATOM 1113 C ASN A 71 -26.110 10.305 5.103 1.00 0.00 C ATOM 1114 O ASN A 71 -26.500 10.801 4.039 1.00 0.00 O ATOM 1115 CB ASN A 71 -26.385 12.434 6.461 1.00 0.00 C ATOM 1116 CG ASN A 71 -27.127 13.135 7.583 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -26.704 14.180 8.068 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -28.284 12.597 7.981 1.00 0.00 N ATOM 0 H ASN A 71 -25.040 10.713 7.857 1.00 0.00 H new ATOM 0 HA ASN A 71 -27.658 10.679 6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -25.320 12.647 6.550 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -26.713 12.844 5.506 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -28.838 13.056 8.704 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -28.613 11.727 7.562 1.00 0.00 H new ATOM 1125 N GLY A 72 -25.269 9.245 5.137 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.798 8.634 3.876 1.00 0.00 C ATOM 1127 C GLY A 72 -23.904 9.569 3.105 1.00 0.00 C ATOM 1128 O GLY A 72 -24.000 9.675 1.890 1.00 0.00 O ATOM 0 H GLY A 72 -24.915 8.810 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -24.258 7.713 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.656 8.361 3.261 1.00 0.00 H new ATOM 1132 N MET A 73 -23.086 10.293 3.826 1.00 0.00 N ATOM 1133 CA MET A 73 -22.296 11.405 3.280 1.00 0.00 C ATOM 1134 C MET A 73 -20.799 11.137 3.066 1.00 0.00 C ATOM 1135 O MET A 73 -20.042 12.060 2.892 1.00 0.00 O ATOM 1136 CB MET A 73 -22.564 12.654 4.116 1.00 0.00 C ATOM 1137 CG MET A 73 -23.959 13.225 3.904 1.00 0.00 C ATOM 1138 SD MET A 73 -24.349 14.539 5.042 1.00 0.00 S ATOM 1139 CE MET A 73 -25.727 15.330 4.216 1.00 0.00 C ATOM 0 H MET A 73 -22.937 10.137 4.823 1.00 0.00 H new ATOM 0 HA MET A 73 -22.639 11.554 2.256 1.00 0.00 H new ATOM 0 HB2 MET A 73 -22.433 12.413 5.171 1.00 0.00 H new ATOM 0 HB3 MET A 73 -21.824 13.416 3.868 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.042 13.598 2.883 1.00 0.00 H new ATOM 0 HG3 MET A 73 -24.693 12.427 4.013 1.00 0.00 H new ATOM 0 HE1 MET A 73 -26.166 16.079 4.876 1.00 0.00 H new ATOM 0 HE2 MET A 73 -25.376 15.812 3.303 1.00 0.00 H new ATOM 0 HE3 MET A 73 -26.479 14.582 3.965 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.395 9.898 3.028 1.00 0.00 N ATOM 1150 CA VAL A 74 -18.992 9.606 2.777 1.00 0.00 C ATOM 1151 C VAL A 74 -18.756 9.397 1.267 1.00 0.00 C ATOM 1152 O VAL A 74 -19.446 8.637 0.602 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.483 8.355 3.575 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -19.324 7.163 3.242 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -17.018 8.038 3.280 1.00 0.00 C ATOM 0 H VAL A 74 -20.994 9.083 3.163 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.420 10.466 3.127 1.00 0.00 H new ATOM 0 HB VAL A 74 -18.566 8.592 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -18.965 6.298 3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -20.361 7.363 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -19.259 6.959 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.712 7.164 3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -16.897 7.832 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.398 8.891 3.557 1.00 0.00 H new ATOM 1165 N HIS A 75 -17.777 10.119 0.757 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.359 10.022 -0.623 1.00 0.00 C ATOM 1167 C HIS A 75 -16.077 9.274 -0.742 1.00 0.00 C ATOM 1168 O HIS A 75 -15.088 9.582 -0.073 1.00 0.00 O ATOM 1169 CB HIS A 75 -17.229 11.420 -1.266 1.00 0.00 C ATOM 1170 CG HIS A 75 -18.521 12.135 -1.440 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -19.282 12.040 -2.594 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -19.217 12.934 -0.604 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -20.388 12.749 -2.456 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -20.376 13.305 -1.262 1.00 0.00 N ATOM 0 H HIS A 75 -17.244 10.798 1.300 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.129 9.470 -1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.569 12.031 -0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.750 11.316 -2.240 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -18.924 13.229 0.393 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -21.168 12.855 -3.195 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -21.104 13.911 -0.884 1.00 0.00 H new ATOM 1182 N VAL A 76 -16.073 8.284 -1.589 1.00 0.00 N ATOM 1183 CA VAL A 76 -14.890 7.496 -1.758 1.00 0.00 C ATOM 1184 C VAL A 76 -14.210 7.772 -3.110 1.00 0.00 C ATOM 1185 O VAL A 76 -14.742 7.420 -4.178 1.00 0.00 O ATOM 1186 CB VAL A 76 -15.231 5.991 -1.613 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -16.416 5.601 -2.488 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -14.038 5.154 -1.939 1.00 0.00 C ATOM 0 H VAL A 76 -16.867 8.007 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.183 7.778 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.513 5.810 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.628 4.539 -2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.291 6.183 -2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.179 5.802 -3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.293 4.100 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.725 5.350 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.223 5.401 -1.258 1.00 0.00 H new ATOM 1198 N ILE A 77 -13.055 8.415 -3.031 1.00 0.00 N ATOM 1199 CA ILE A 77 -12.246 8.747 -4.209 1.00 0.00 C ATOM 1200 C ILE A 77 -11.699 7.496 -4.940 1.00 0.00 C ATOM 1201 O ILE A 77 -11.787 7.383 -6.154 1.00 0.00 O ATOM 1202 CB ILE A 77 -11.001 9.526 -3.770 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -11.349 10.800 -3.032 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -10.119 9.840 -4.973 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -10.100 11.449 -2.413 1.00 0.00 C ATOM 0 H ILE A 77 -12.646 8.725 -2.150 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.904 9.311 -4.871 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.453 8.888 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.823 11.502 -3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -12.074 10.582 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.239 10.393 -4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.806 8.910 -5.448 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.680 10.442 -5.688 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.385 12.362 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.641 10.756 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.387 11.690 -3.201 1.00 0.00 H new ATOM 1217 N LYS A 78 -11.140 6.582 -4.157 1.00 0.00 N ATOM 1218 CA LYS A 78 -10.340 5.441 -4.667 1.00 0.00 C ATOM 1219 C LYS A 78 -11.006 4.063 -4.759 1.00 0.00 C ATOM 1220 O LYS A 78 -10.377 3.106 -5.218 1.00 0.00 O ATOM 1221 CB LYS A 78 -9.006 5.371 -3.940 1.00 0.00 C ATOM 1222 CG LYS A 78 -8.122 6.584 -4.131 1.00 0.00 C ATOM 1223 CD LYS A 78 -7.689 6.737 -5.595 1.00 0.00 C ATOM 1224 CE LYS A 78 -6.809 7.948 -5.793 1.00 0.00 C ATOM 1225 NZ LYS A 78 -6.380 8.102 -7.198 1.00 0.00 N ATOM 0 H LYS A 78 -11.221 6.599 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.207 5.684 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.194 5.238 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.467 4.487 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.656 7.479 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.240 6.497 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.153 5.842 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.572 6.821 -6.229 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.348 8.842 -5.479 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.930 7.865 -5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.778 8.946 -7.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.843 7.261 -7.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.217 8.208 -7.807 1.00 0.00 H new ATOM 1239 N GLY A 79 -12.255 3.946 -4.348 1.00 0.00 N ATOM 1240 CA GLY A 79 -12.936 2.649 -4.423 1.00 0.00 C ATOM 1241 C GLY A 79 -12.820 1.784 -3.143 1.00 0.00 C ATOM 1242 O GLY A 79 -13.109 0.595 -3.177 1.00 0.00 O ATOM 0 H GLY A 79 -12.815 4.708 -3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.991 2.819 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.528 2.087 -5.263 1.00 0.00 H new ATOM 1246 N ILE A 80 -12.440 2.413 -2.012 1.00 0.00 N ATOM 1247 CA ILE A 80 -12.357 1.744 -0.702 1.00 0.00 C ATOM 1248 C ILE A 80 -11.292 0.641 -0.662 1.00 0.00 C ATOM 1249 O ILE A 80 -11.582 -0.534 -0.933 1.00 0.00 O ATOM 1250 CB ILE A 80 -13.733 1.106 -0.280 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -14.837 2.153 -0.177 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -13.622 0.386 1.058 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -14.581 3.221 0.866 1.00 0.00 C ATOM 0 H ILE A 80 -12.182 3.400 -1.984 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.079 2.532 -0.002 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.990 0.392 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -14.961 2.631 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -15.777 1.652 0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -14.589 -0.044 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.880 -0.409 0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.318 1.095 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -15.412 3.926 0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.488 2.756 1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.659 3.750 0.626 1.00 0.00 H new ATOM 1265 N GLN A 81 -10.049 1.032 -0.346 1.00 0.00 N ATOM 1266 CA GLN A 81 -9.037 0.027 -0.076 1.00 0.00 C ATOM 1267 C GLN A 81 -7.794 0.753 0.548 1.00 0.00 C ATOM 1268 O GLN A 81 -7.873 1.932 0.902 1.00 0.00 O ATOM 1269 CB GLN A 81 -8.607 -0.671 -1.358 1.00 0.00 C ATOM 1270 CG GLN A 81 -8.018 -2.025 -1.100 1.00 0.00 C ATOM 1271 CD GLN A 81 -7.466 -2.680 -2.319 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -6.602 -3.628 -2.098 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -7.813 -2.351 -3.436 1.00 0.00 N flip ATOM 0 H GLN A 81 -9.737 2.001 -0.275 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.444 -0.723 0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.467 -0.772 -2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.875 -0.052 -1.878 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.225 -1.931 -0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.784 -2.669 -0.668 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.494 -1.601 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.424 -2.824 -4.251 1.00 0.00 H new ATOM 1282 N PHE A 82 -6.656 0.050 0.643 1.00 0.00 N ATOM 1283 CA PHE A 82 -5.414 0.627 1.165 1.00 0.00 C ATOM 1284 C PHE A 82 -4.878 1.699 0.236 1.00 0.00 C ATOM 1285 O PHE A 82 -4.712 1.476 -0.973 1.00 0.00 O ATOM 1286 CB PHE A 82 -4.387 -0.500 1.366 1.00 0.00 C ATOM 1287 CG PHE A 82 -2.966 -0.066 1.707 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -2.713 0.850 2.707 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -1.863 -0.630 1.024 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -1.426 1.216 3.022 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -0.577 -0.258 1.336 1.00 0.00 C ATOM 1292 CZ PHE A 82 -0.351 0.667 2.345 1.00 0.00 C ATOM 0 H PHE A 82 -6.573 -0.927 0.362 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.613 1.107 2.123 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.746 -1.152 2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.353 -1.098 0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.538 1.286 3.250 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.033 -1.362 0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.252 1.939 3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.256 -0.685 0.797 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.658 0.957 2.601 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.593 2.853 0.821 1.00 0.00 N ATOM 1303 CA GLY A 83 -4.107 3.985 0.082 1.00 0.00 C ATOM 1304 C GLY A 83 -5.243 4.899 -0.401 1.00 0.00 C ATOM 1305 O GLY A 83 -5.001 5.997 -0.923 1.00 0.00 O ATOM 0 H GLY A 83 -4.696 3.020 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.424 4.559 0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.534 3.636 -0.777 1.00 0.00 H new ATOM 1309 N SER A 84 -6.483 4.434 -0.247 1.00 0.00 N ATOM 1310 CA SER A 84 -7.633 5.199 -0.603 1.00 0.00 C ATOM 1311 C SER A 84 -7.885 6.310 0.416 1.00 0.00 C ATOM 1312 O SER A 84 -7.599 6.161 1.620 1.00 0.00 O ATOM 1313 CB SER A 84 -8.855 4.279 -0.733 1.00 0.00 C ATOM 1314 OG SER A 84 -8.658 3.312 -1.741 1.00 0.00 O ATOM 0 H SER A 84 -6.697 3.511 0.131 1.00 0.00 H new ATOM 0 HA SER A 84 -7.454 5.673 -1.568 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.044 3.783 0.219 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.739 4.874 -0.963 1.00 0.00 H new ATOM 0 HG SER A 84 -9.525 2.955 -2.026 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.406 7.406 -0.056 1.00 0.00 N ATOM 1321 CA GLN A 85 -8.818 8.471 0.817 1.00 0.00 C ATOM 1322 C GLN A 85 -10.278 8.761 0.536 1.00 0.00 C ATOM 1323 O GLN A 85 -10.699 8.840 -0.615 1.00 0.00 O ATOM 1324 CB GLN A 85 -7.964 9.719 0.645 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.387 10.858 1.576 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.496 12.088 1.458 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -8.020 13.235 1.852 1.00 0.00 O flip ATOM 1328 NE2 GLN A 85 -6.349 12.006 1.017 1.00 0.00 N flip ATOM 0 H GLN A 85 -8.557 7.588 -1.048 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.685 8.161 1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.920 9.469 0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.028 10.058 -0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.416 11.139 1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.371 10.502 2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.979 11.102 0.723 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.769 12.842 0.946 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.039 8.864 1.585 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.472 9.046 1.500 1.00 0.00 C ATOM 1339 C ILE A 86 -12.889 10.224 2.319 1.00 0.00 C ATOM 1340 O ILE A 86 -12.139 10.669 3.169 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.191 7.798 2.004 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -12.807 7.556 3.458 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -12.828 6.595 1.157 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.571 6.437 4.101 1.00 0.00 C ATOM 0 H ILE A 86 -10.684 8.824 2.541 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.739 9.219 0.457 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.268 7.949 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.741 7.335 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -12.972 8.471 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.351 5.715 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.120 6.777 0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -11.752 6.427 1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.246 6.321 5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.637 6.664 4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.386 5.511 3.557 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.073 10.771 2.081 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.479 11.913 2.830 1.00 0.00 C ATOM 1358 C LYS A 87 -15.672 11.557 3.690 1.00 0.00 C ATOM 1359 O LYS A 87 -16.593 10.933 3.243 1.00 0.00 O ATOM 1360 CB LYS A 87 -14.874 13.035 1.893 1.00 0.00 C ATOM 1361 CG LYS A 87 -13.718 13.843 1.321 1.00 0.00 C ATOM 1362 CD LYS A 87 -12.926 13.025 0.324 1.00 0.00 C ATOM 1363 CE LYS A 87 -11.910 13.870 -0.395 1.00 0.00 C ATOM 1364 NZ LYS A 87 -10.756 14.264 0.456 1.00 0.00 N ATOM 0 H LYS A 87 -14.744 10.439 1.388 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.647 12.235 3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.444 12.612 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.541 13.713 2.426 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.102 14.741 0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.064 14.171 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.422 12.208 0.840 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.605 12.574 -0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.541 13.322 -1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.398 14.769 -0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.495 15.250 0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.018 14.175 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.947 13.643 0.253 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.656 12.057 4.863 1.00 0.00 N ATOM 1379 CA TYR A 88 -16.682 11.901 5.894 1.00 0.00 C ATOM 1380 C TYR A 88 -17.526 13.114 6.032 1.00 0.00 C ATOM 1381 O TYR A 88 -18.196 13.320 7.044 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.105 11.433 7.211 1.00 0.00 C ATOM 1383 CG TYR A 88 -15.861 9.925 7.257 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -16.926 9.077 7.540 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -14.625 9.371 7.051 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -16.758 7.709 7.622 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.444 7.995 7.138 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.511 7.170 7.425 1.00 0.00 C ATOM 1389 OH TYR A 88 -15.333 5.824 7.524 1.00 0.00 O ATOM 0 H TYR A 88 -14.879 12.635 5.182 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.348 11.106 5.559 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.165 11.953 7.394 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -16.784 11.710 8.017 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -17.908 9.498 7.699 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -13.784 10.008 6.819 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.600 7.069 7.839 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.463 7.571 6.980 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.393 5.605 7.356 1.00 0.00 H new ATOM 1399 N SER A 89 -17.442 13.945 5.023 1.00 0.00 N ATOM 1400 CA SER A 89 -18.102 15.234 5.031 1.00 0.00 C ATOM 1401 C SER A 89 -19.595 15.025 5.102 1.00 0.00 C ATOM 1402 O SER A 89 -20.107 14.127 4.496 1.00 0.00 O ATOM 1403 CB SER A 89 -17.766 15.972 3.741 1.00 0.00 C ATOM 1404 OG SER A 89 -18.356 17.268 3.694 1.00 0.00 O ATOM 0 H SER A 89 -16.915 13.750 4.172 1.00 0.00 H new ATOM 0 HA SER A 89 -17.768 15.815 5.891 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.684 16.064 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 89 -18.111 15.386 2.889 1.00 0.00 H new ATOM 0 HG SER A 89 -18.433 17.625 4.603 1.00 0.00 H new ATOM 1410 N CYS A 90 -20.264 15.852 5.851 1.00 0.00 N ATOM 1411 CA CYS A 90 -21.672 15.740 5.998 1.00 0.00 C ATOM 1412 C CYS A 90 -22.342 16.720 4.986 1.00 0.00 C ATOM 1413 O CYS A 90 -22.525 16.401 3.803 1.00 0.00 O ATOM 1414 CB CYS A 90 -22.065 16.110 7.461 1.00 0.00 C ATOM 1415 SG CYS A 90 -20.896 15.553 8.731 1.00 0.00 S ATOM 0 H CYS A 90 -19.843 16.620 6.374 1.00 0.00 H new ATOM 0 HA CYS A 90 -22.006 14.722 5.798 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -22.166 17.193 7.531 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -23.044 15.683 7.677 1.00 0.00 H new ATOM 1420 N THR A 91 -22.638 17.893 5.451 1.00 0.00 N ATOM 1421 CA THR A 91 -23.347 18.922 4.715 1.00 0.00 C ATOM 1422 C THR A 91 -22.355 19.926 4.104 1.00 0.00 C ATOM 1423 O THR A 91 -21.217 19.935 4.456 1.00 0.00 O ATOM 1424 CB THR A 91 -24.323 19.606 5.715 1.00 0.00 C ATOM 1425 OG1 THR A 91 -25.499 18.810 5.899 1.00 0.00 O ATOM 1426 CG2 THR A 91 -24.686 21.015 5.322 1.00 0.00 C ATOM 0 H THR A 91 -22.386 18.184 6.396 1.00 0.00 H new ATOM 0 HA THR A 91 -23.908 18.498 3.882 1.00 0.00 H new ATOM 0 HB THR A 91 -23.791 19.680 6.663 1.00 0.00 H new ATOM 0 HG1 THR A 91 -26.100 19.255 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 91 -25.369 21.434 6.061 1.00 0.00 H new ATOM 0 HG22 THR A 91 -23.783 21.624 5.276 1.00 0.00 H new ATOM 0 HG23 THR A 91 -25.169 21.007 4.345 1.00 0.00 H new ATOM 1434 N LYS A 92 -22.765 20.714 3.097 1.00 0.00 N ATOM 1435 CA LYS A 92 -21.873 21.739 2.605 1.00 0.00 C ATOM 1436 C LYS A 92 -21.571 22.786 3.698 1.00 0.00 C ATOM 1437 O LYS A 92 -20.410 23.120 3.963 1.00 0.00 O ATOM 1438 CB LYS A 92 -22.550 22.538 1.558 1.00 0.00 C ATOM 1439 CG LYS A 92 -21.634 23.561 0.985 1.00 0.00 C ATOM 1440 CD LYS A 92 -22.308 24.373 -0.015 1.00 0.00 C ATOM 1441 CE LYS A 92 -21.359 25.374 -0.579 1.00 0.00 C ATOM 1442 NZ LYS A 92 -21.988 26.264 -1.593 1.00 0.00 N ATOM 0 H LYS A 92 -23.672 20.656 2.633 1.00 0.00 H new ATOM 0 HA LYS A 92 -20.979 21.221 2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -22.904 21.878 0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -23.427 23.028 1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -21.256 24.201 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -20.771 23.069 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -22.696 23.737 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -23.163 24.881 0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -20.957 25.982 0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -20.517 24.852 -1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -21.281 26.938 -1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -22.348 25.691 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -22.775 26.786 -1.157 1.00 0.00 H new ATOM 1456 N GLY A 93 -22.646 23.258 4.344 1.00 0.00 N ATOM 1457 CA GLY A 93 -22.558 24.358 5.321 1.00 0.00 C ATOM 1458 C GLY A 93 -22.580 23.860 6.737 1.00 0.00 C ATOM 1459 O GLY A 93 -23.537 24.071 7.477 1.00 0.00 O ATOM 0 H GLY A 93 -23.590 22.896 4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -21.641 24.922 5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -23.389 25.047 5.167 1.00 0.00 H new ATOM 1463 N TYR A 94 -21.530 23.176 7.094 1.00 0.00 N ATOM 1464 CA TYR A 94 -21.440 22.513 8.403 1.00 0.00 C ATOM 1465 C TYR A 94 -19.971 22.431 8.793 1.00 0.00 C ATOM 1466 O TYR A 94 -19.098 22.880 8.047 1.00 0.00 O ATOM 1467 CB TYR A 94 -21.976 21.096 8.331 1.00 0.00 C ATOM 1468 CG TYR A 94 -20.928 20.088 7.967 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -20.162 20.230 6.853 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -20.636 19.051 8.819 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -19.143 19.360 6.562 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -19.615 18.181 8.546 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.877 18.346 7.409 1.00 0.00 C ATOM 1474 OH TYR A 94 -17.858 17.478 7.124 1.00 0.00 O ATOM 0 H TYR A 94 -20.707 23.051 6.504 1.00 0.00 H new ATOM 0 HA TYR A 94 -22.024 23.083 9.126 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -22.409 20.829 9.295 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -22.781 21.055 7.597 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -20.361 21.050 6.179 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -21.221 18.920 9.718 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -18.559 19.486 5.662 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.395 17.370 9.225 1.00 0.00 H new ATOM 0 HH TYR A 94 -17.016 17.974 7.051 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.690 21.955 9.980 1.00 0.00 N ATOM 1485 CA ARG A 95 -18.309 21.669 10.341 1.00 0.00 C ATOM 1486 C ARG A 95 -18.214 20.234 10.714 1.00 0.00 C ATOM 1487 O ARG A 95 -19.158 19.681 11.240 1.00 0.00 O ATOM 1488 CB ARG A 95 -17.855 22.438 11.555 1.00 0.00 C ATOM 1489 CG ARG A 95 -17.819 23.863 11.297 1.00 0.00 C ATOM 1490 CD ARG A 95 -17.332 24.660 12.469 1.00 0.00 C ATOM 1491 NE ARG A 95 -17.347 26.093 12.172 1.00 0.00 N ATOM 1492 CZ ARG A 95 -16.346 26.752 11.602 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -15.227 26.111 11.254 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -16.455 28.049 11.373 1.00 0.00 N ATOM 0 H ARG A 95 -20.379 21.758 10.706 1.00 0.00 H new ATOM 0 HA ARG A 95 -17.692 21.943 9.485 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -18.528 22.235 12.388 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -16.864 22.096 11.854 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -17.173 24.055 10.441 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -18.818 24.202 11.024 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -17.960 24.458 13.337 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -16.320 24.350 12.729 1.00 0.00 H new ATOM 0 HE ARG A 95 -18.184 26.621 12.420 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -15.138 25.110 11.426 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.461 26.623 10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -17.308 28.543 11.634 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.686 28.556 10.935 1.00 0.00 H new ATOM 1508 N LEU A 96 -17.137 19.601 10.409 1.00 0.00 N ATOM 1509 CA LEU A 96 -17.000 18.258 10.844 1.00 0.00 C ATOM 1510 C LEU A 96 -15.963 18.335 11.974 1.00 0.00 C ATOM 1511 O LEU A 96 -14.864 18.841 11.766 1.00 0.00 O ATOM 1512 CB LEU A 96 -16.446 17.383 9.739 1.00 0.00 C ATOM 1513 CG LEU A 96 -16.479 15.883 9.982 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -17.906 15.385 9.927 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -15.658 15.183 8.994 1.00 0.00 C ATOM 0 H LEU A 96 -16.356 19.980 9.873 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.957 17.833 11.148 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.003 17.593 8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -15.412 17.677 9.557 1.00 0.00 H new ATOM 0 HG LEU A 96 -16.070 15.680 10.972 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.923 14.309 10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.496 15.887 10.694 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -18.329 15.600 8.946 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.695 14.110 9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.040 15.387 7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.627 15.529 9.066 1.00 0.00 H new ATOM 1527 N ILE A 97 -16.323 17.860 13.141 1.00 0.00 N ATOM 1528 CA ILE A 97 -15.437 17.943 14.303 1.00 0.00 C ATOM 1529 C ILE A 97 -14.172 17.122 14.119 1.00 0.00 C ATOM 1530 O ILE A 97 -13.061 17.581 14.403 1.00 0.00 O ATOM 1531 CB ILE A 97 -16.179 17.545 15.595 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -17.462 18.392 15.738 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -15.281 17.729 16.818 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -17.199 19.882 15.806 1.00 0.00 C ATOM 0 H ILE A 97 -17.220 17.410 13.323 1.00 0.00 H new ATOM 0 HA ILE A 97 -15.128 18.984 14.397 1.00 0.00 H new ATOM 0 HB ILE A 97 -16.449 16.491 15.532 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -18.120 18.186 14.894 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -17.993 18.083 16.639 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -15.827 17.442 17.717 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -14.395 17.103 16.716 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -14.980 18.774 16.895 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -18.145 20.414 15.906 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -16.567 20.101 16.666 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -16.696 20.205 14.895 1.00 0.00 H new ATOM 1546 N GLY A 98 -14.329 15.908 13.615 1.00 0.00 N ATOM 1547 CA GLY A 98 -13.189 15.036 13.446 1.00 0.00 C ATOM 1548 C GLY A 98 -12.697 14.939 12.008 1.00 0.00 C ATOM 1549 O GLY A 98 -12.775 15.899 11.249 1.00 0.00 O ATOM 0 H GLY A 98 -15.222 15.513 13.321 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.374 15.393 14.076 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.451 14.038 13.799 1.00 0.00 H new ATOM 1553 N SER A 99 -12.224 13.756 11.626 1.00 0.00 N ATOM 1554 CA SER A 99 -11.597 13.551 10.319 1.00 0.00 C ATOM 1555 C SER A 99 -12.575 13.704 9.139 1.00 0.00 C ATOM 1556 O SER A 99 -13.475 12.888 8.946 1.00 0.00 O ATOM 1557 CB SER A 99 -10.949 12.163 10.289 1.00 0.00 C ATOM 1558 OG SER A 99 -10.197 11.933 11.473 1.00 0.00 O ATOM 0 H SER A 99 -12.263 12.918 12.206 1.00 0.00 H new ATOM 0 HA SER A 99 -10.847 14.332 10.194 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.720 11.399 10.188 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.300 12.078 9.418 1.00 0.00 H new ATOM 0 HG SER A 99 -9.550 11.214 11.315 1.00 0.00 H new ATOM 1564 N SER A 100 -12.403 14.808 8.413 1.00 0.00 N ATOM 1565 CA SER A 100 -13.125 15.132 7.192 1.00 0.00 C ATOM 1566 C SER A 100 -12.867 14.090 6.131 1.00 0.00 C ATOM 1567 O SER A 100 -13.749 13.721 5.367 1.00 0.00 O ATOM 1568 CB SER A 100 -12.774 16.532 6.720 1.00 0.00 C ATOM 1569 OG SER A 100 -12.968 17.457 7.767 1.00 0.00 O ATOM 0 H SER A 100 -11.729 15.528 8.673 1.00 0.00 H new ATOM 0 HA SER A 100 -14.195 15.121 7.400 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.737 16.562 6.384 1.00 0.00 H new ATOM 0 HB3 SER A 100 -13.394 16.803 5.865 1.00 0.00 H new ATOM 0 HG SER A 100 -12.738 18.357 7.455 1.00 0.00 H new ATOM 1575 N SER A 101 -11.646 13.633 6.064 1.00 0.00 N ATOM 1576 CA SER A 101 -11.291 12.621 5.143 1.00 0.00 C ATOM 1577 C SER A 101 -10.562 11.546 5.903 1.00 0.00 C ATOM 1578 O SER A 101 -9.917 11.832 6.900 1.00 0.00 O ATOM 1579 CB SER A 101 -10.414 13.191 4.049 1.00 0.00 C ATOM 1580 OG SER A 101 -11.084 14.260 3.355 1.00 0.00 O ATOM 0 H SER A 101 -10.879 13.960 6.652 1.00 0.00 H new ATOM 0 HA SER A 101 -12.181 12.207 4.668 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.483 13.559 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.149 12.404 3.343 1.00 0.00 H new ATOM 0 HG SER A 101 -10.445 14.979 3.167 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.664 10.333 5.424 1.00 0.00 N ATOM 1587 CA ALA A 102 -10.040 9.224 6.034 1.00 0.00 C ATOM 1588 C ALA A 102 -9.102 8.575 5.044 1.00 0.00 C ATOM 1589 O ALA A 102 -9.370 8.559 3.831 1.00 0.00 O ATOM 1590 CB ALA A 102 -11.072 8.229 6.469 1.00 0.00 C ATOM 0 H ALA A 102 -11.195 10.101 4.585 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.482 9.561 6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.581 7.377 6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.749 8.696 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.638 7.889 5.602 1.00 0.00 H new ATOM 1596 N THR A 103 -8.015 8.112 5.522 1.00 0.00 N ATOM 1597 CA THR A 103 -7.019 7.497 4.690 1.00 0.00 C ATOM 1598 C THR A 103 -6.749 6.070 5.167 1.00 0.00 C ATOM 1599 O THR A 103 -6.558 5.839 6.364 1.00 0.00 O ATOM 1600 CB THR A 103 -5.729 8.322 4.737 1.00 0.00 C ATOM 1601 OG1 THR A 103 -6.042 9.675 4.350 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.705 7.779 3.749 1.00 0.00 C ATOM 0 H THR A 103 -7.773 8.142 6.512 1.00 0.00 H new ATOM 0 HA THR A 103 -7.381 7.460 3.663 1.00 0.00 H new ATOM 0 HB THR A 103 -5.318 8.276 5.745 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.228 10.219 4.376 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.797 8.380 3.799 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.470 6.745 4.000 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.114 7.823 2.740 1.00 0.00 H new ATOM 1610 N CYS A 104 -6.781 5.099 4.250 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.548 3.695 4.641 1.00 0.00 C ATOM 1612 C CYS A 104 -5.060 3.354 4.652 1.00 0.00 C ATOM 1613 O CYS A 104 -4.367 3.514 3.652 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.323 2.747 3.696 1.00 0.00 C ATOM 1615 SG CYS A 104 -7.126 0.949 4.028 1.00 0.00 S ATOM 0 H CYS A 104 -6.960 5.246 3.257 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.918 3.560 5.658 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.383 2.994 3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -7.005 2.945 2.672 1.00 0.00 H new ATOM 1620 N ILE A 105 -4.597 2.909 5.807 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.200 2.565 6.061 1.00 0.00 C ATOM 1622 C ILE A 105 -3.112 1.185 6.676 1.00 0.00 C ATOM 1623 O ILE A 105 -4.131 0.654 7.164 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.486 3.592 6.983 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.146 3.661 8.377 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.426 4.970 6.322 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.340 4.589 8.469 1.00 0.00 C ATOM 0 H ILE A 105 -5.196 2.771 6.621 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.689 2.583 5.098 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.462 3.248 7.131 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.460 2.658 8.665 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.398 3.981 9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.922 5.671 6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.875 4.900 5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.438 5.323 6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.737 4.572 9.484 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.032 5.604 8.217 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.111 4.260 7.772 1.00 0.00 H new ATOM 1639 N ILE A 106 -1.943 0.583 6.666 1.00 0.00 N ATOM 1640 CA ILE A 106 -1.836 -0.750 7.220 1.00 0.00 C ATOM 1641 C ILE A 106 -1.608 -0.653 8.736 1.00 0.00 C ATOM 1642 O ILE A 106 -0.660 0.012 9.179 1.00 0.00 O ATOM 1643 CB ILE A 106 -0.593 -1.482 6.665 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -0.609 -1.561 5.147 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -0.503 -2.890 7.262 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -1.798 -2.251 4.602 1.00 0.00 C ATOM 0 H ILE A 106 -1.079 0.978 6.294 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.752 -1.282 6.964 1.00 0.00 H new ATOM 0 HB ILE A 106 0.285 -0.904 6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.566 -0.551 4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.288 -2.080 4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.376 -3.398 6.865 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.423 -2.821 8.347 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.398 -3.454 6.999 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.741 -2.269 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.831 -3.272 4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.699 -1.720 4.909 1.00 0.00 H new ATOM 1658 N SER A 107 -2.498 -1.247 9.504 1.00 0.00 N ATOM 1659 CA SER A 107 -2.326 -1.391 10.925 1.00 0.00 C ATOM 1660 C SER A 107 -1.094 -2.254 11.192 1.00 0.00 C ATOM 1661 O SER A 107 -0.273 -1.994 12.078 1.00 0.00 O ATOM 1662 CB SER A 107 -3.565 -2.009 11.551 1.00 0.00 C ATOM 1663 OG SER A 107 -3.431 -2.123 12.955 1.00 0.00 O ATOM 0 H SER A 107 -3.368 -1.646 9.151 1.00 0.00 H new ATOM 0 HA SER A 107 -2.181 -0.410 11.377 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.437 -1.399 11.315 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.740 -2.994 11.119 1.00 0.00 H new ATOM 0 HG SER A 107 -4.244 -2.522 13.330 1.00 0.00 H new ATOM 1669 N GLY A 108 -1.017 -3.300 10.409 1.00 0.00 N ATOM 1670 CA GLY A 108 -0.008 -4.298 10.517 1.00 0.00 C ATOM 1671 C GLY A 108 -0.593 -5.599 10.062 1.00 0.00 C ATOM 1672 O GLY A 108 -0.296 -6.092 8.980 1.00 0.00 O ATOM 0 H GLY A 108 -1.682 -3.477 9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.856 -4.034 9.906 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.341 -4.377 11.546 1.00 0.00 H new ATOM 1676 N ASP A 109 -1.417 -6.168 10.914 1.00 0.00 N ATOM 1677 CA ASP A 109 -2.187 -7.367 10.582 1.00 0.00 C ATOM 1678 C ASP A 109 -3.257 -7.114 9.489 1.00 0.00 C ATOM 1679 O ASP A 109 -3.522 -7.967 8.655 1.00 0.00 O ATOM 1680 CB ASP A 109 -2.852 -7.967 11.857 1.00 0.00 C ATOM 1681 CG ASP A 109 -3.763 -6.996 12.601 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -3.728 -5.773 12.306 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -4.526 -7.460 13.484 1.00 0.00 O ATOM 0 H ASP A 109 -1.579 -5.820 11.859 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.477 -8.086 10.173 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.431 -8.846 11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.070 -8.307 12.536 1.00 0.00 H new ATOM 1688 N THR A 110 -3.849 -5.914 9.523 1.00 0.00 N ATOM 1689 CA THR A 110 -4.973 -5.573 8.684 1.00 0.00 C ATOM 1690 C THR A 110 -4.869 -4.107 8.201 1.00 0.00 C ATOM 1691 O THR A 110 -3.891 -3.418 8.498 1.00 0.00 O ATOM 1692 CB THR A 110 -6.308 -5.820 9.435 1.00 0.00 C ATOM 1693 OG1 THR A 110 -7.432 -5.738 8.537 1.00 0.00 O ATOM 1694 CG2 THR A 110 -6.492 -4.820 10.593 1.00 0.00 C ATOM 0 H THR A 110 -3.551 -5.159 10.140 1.00 0.00 H new ATOM 0 HA THR A 110 -4.956 -6.217 7.805 1.00 0.00 H new ATOM 0 HB THR A 110 -6.263 -6.827 9.849 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.261 -5.899 9.035 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.437 -5.019 11.099 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.671 -4.928 11.301 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.499 -3.804 10.199 1.00 0.00 H new ATOM 1702 N VAL A 111 -5.878 -3.643 7.458 1.00 0.00 N ATOM 1703 CA VAL A 111 -5.891 -2.299 6.902 1.00 0.00 C ATOM 1704 C VAL A 111 -7.022 -1.491 7.561 1.00 0.00 C ATOM 1705 O VAL A 111 -8.156 -1.946 7.678 1.00 0.00 O ATOM 1706 CB VAL A 111 -6.135 -2.347 5.368 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -4.991 -3.046 4.652 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -7.445 -3.042 5.058 1.00 0.00 C ATOM 0 H VAL A 111 -6.706 -4.193 7.229 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.926 -1.830 7.095 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.187 -1.320 5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.190 -3.064 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.062 -2.508 4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.900 -4.067 5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.598 -3.066 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -7.416 -4.061 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.265 -2.500 5.529 1.00 0.00 H new ATOM 1718 N ILE A 112 -6.662 -0.295 8.040 1.00 0.00 N ATOM 1719 CA ILE A 112 -7.603 0.564 8.753 1.00 0.00 C ATOM 1720 C ILE A 112 -7.597 1.973 8.184 1.00 0.00 C ATOM 1721 O ILE A 112 -6.684 2.373 7.462 1.00 0.00 O ATOM 1722 CB ILE A 112 -7.296 0.643 10.258 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -5.905 1.234 10.484 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -7.409 -0.744 10.882 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -5.579 1.521 11.945 1.00 0.00 C ATOM 0 H ILE A 112 -5.725 0.097 7.945 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.586 0.112 8.619 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.022 1.298 10.739 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.160 0.545 10.086 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -5.819 2.160 9.915 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.191 -0.682 11.948 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.420 -1.125 10.740 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.697 -1.417 10.404 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.575 1.938 12.019 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.299 2.235 12.345 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.630 0.595 12.518 1.00 0.00 H new ATOM 1737 N TRP A 113 -8.627 2.711 8.508 1.00 0.00 N ATOM 1738 CA TRP A 113 -8.735 4.106 8.130 1.00 0.00 C ATOM 1739 C TRP A 113 -8.235 4.938 9.319 1.00 0.00 C ATOM 1740 O TRP A 113 -8.361 4.514 10.467 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.191 4.480 7.875 1.00 0.00 C ATOM 1742 CG TRP A 113 -10.807 3.775 6.716 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -11.653 2.718 6.786 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -10.670 4.078 5.313 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -12.036 2.342 5.545 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.460 3.155 4.619 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -9.960 5.044 4.584 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.567 3.146 3.227 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.069 5.043 3.193 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -10.865 4.095 2.531 1.00 0.00 C ATOM 0 H TRP A 113 -9.422 2.364 9.045 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.156 4.289 7.224 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.773 4.262 8.770 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.255 5.555 7.708 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.975 2.244 7.702 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.663 1.565 5.335 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.343 5.772 5.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.181 2.418 2.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.533 5.783 2.617 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.925 4.114 1.453 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.640 6.088 9.054 1.00 0.00 N ATOM 1762 CA ASP A 114 -7.091 6.938 10.137 1.00 0.00 C ATOM 1763 C ASP A 114 -8.222 7.760 10.778 1.00 0.00 C ATOM 1764 O ASP A 114 -8.006 8.517 11.714 1.00 0.00 O ATOM 1765 CB ASP A 114 -5.969 7.872 9.632 1.00 0.00 C ATOM 1766 CG ASP A 114 -6.471 9.015 8.750 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -7.413 8.805 7.989 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -5.906 10.140 8.850 1.00 0.00 O ATOM 0 H ASP A 114 -7.517 6.466 8.115 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.649 6.279 10.884 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -5.444 8.291 10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.244 7.283 9.070 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.424 7.589 10.249 1.00 0.00 N ATOM 1774 CA GLN A 115 -10.613 8.244 10.742 1.00 0.00 C ATOM 1775 C GLN A 115 -10.912 7.820 12.182 1.00 0.00 C ATOM 1776 O GLN A 115 -11.023 6.632 12.473 1.00 0.00 O ATOM 1777 CB GLN A 115 -11.760 7.746 9.916 1.00 0.00 C ATOM 1778 CG GLN A 115 -13.097 8.367 10.225 1.00 0.00 C ATOM 1779 CD GLN A 115 -13.135 9.796 9.852 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -12.529 10.201 8.873 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -13.876 10.568 10.563 1.00 0.00 N ATOM 0 H GLN A 115 -9.597 6.979 9.450 1.00 0.00 H new ATOM 0 HA GLN A 115 -10.473 9.324 10.693 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.531 7.921 8.865 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -11.840 6.667 10.049 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.880 7.830 9.690 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -13.309 8.263 11.289 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -14.369 10.196 11.375 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -13.972 11.553 10.315 1.00 0.00 H new ATOM 1790 N GLU A 116 -11.009 8.791 13.085 1.00 0.00 N ATOM 1791 CA GLU A 116 -11.381 8.499 14.468 1.00 0.00 C ATOM 1792 C GLU A 116 -12.846 8.026 14.572 1.00 0.00 C ATOM 1793 O GLU A 116 -13.169 7.039 15.267 1.00 0.00 O ATOM 1794 CB GLU A 116 -11.196 9.740 15.327 1.00 0.00 C ATOM 1795 CG GLU A 116 -11.576 9.538 16.790 1.00 0.00 C ATOM 1796 CD GLU A 116 -10.657 8.578 17.514 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -9.513 8.388 17.079 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -11.131 7.971 18.504 1.00 0.00 O ATOM 0 H GLU A 116 -10.838 9.777 12.889 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.733 7.697 14.823 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.154 10.056 15.272 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.797 10.550 14.914 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.560 10.501 17.300 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.599 9.165 16.846 1.00 0.00 H new ATOM 1805 N THR A 117 -13.699 8.739 13.852 1.00 0.00 N ATOM 1806 CA THR A 117 -15.144 8.512 13.795 1.00 0.00 C ATOM 1807 C THR A 117 -15.766 9.752 13.105 1.00 0.00 C ATOM 1808 O THR A 117 -15.140 10.820 13.101 1.00 0.00 O ATOM 1809 CB THR A 117 -15.753 8.302 15.236 1.00 0.00 C ATOM 1810 OG1 THR A 117 -17.042 7.674 15.161 1.00 0.00 O ATOM 1811 CG2 THR A 117 -15.884 9.597 16.012 1.00 0.00 C ATOM 0 H THR A 117 -13.398 9.520 13.269 1.00 0.00 H new ATOM 0 HA THR A 117 -15.365 7.603 13.235 1.00 0.00 H new ATOM 0 HB THR A 117 -15.052 7.658 15.767 1.00 0.00 H new ATOM 0 HG1 THR A 117 -17.400 7.552 16.065 1.00 0.00 H new ATOM 0 HG21 THR A 117 -16.308 9.391 16.995 1.00 0.00 H new ATOM 0 HG22 THR A 117 -14.900 10.052 16.129 1.00 0.00 H new ATOM 0 HG23 THR A 117 -16.538 10.281 15.471 1.00 0.00 H new ATOM 1819 N PRO A 118 -16.934 9.642 12.461 1.00 0.00 N ATOM 1820 CA PRO A 118 -17.557 10.782 11.778 1.00 0.00 C ATOM 1821 C PRO A 118 -18.396 11.651 12.718 1.00 0.00 C ATOM 1822 O PRO A 118 -19.432 11.199 13.237 1.00 0.00 O ATOM 1823 CB PRO A 118 -18.437 10.109 10.705 1.00 0.00 C ATOM 1824 CG PRO A 118 -18.418 8.628 11.009 1.00 0.00 C ATOM 1825 CD PRO A 118 -17.739 8.443 12.341 1.00 0.00 C ATOM 0 HA PRO A 118 -16.817 11.470 11.369 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.454 10.499 10.736 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.050 10.306 9.705 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -19.433 8.230 11.038 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -17.885 8.084 10.229 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -18.460 8.357 13.154 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -17.127 7.541 12.361 1.00 0.00 H new ATOM 1833 N ILE A 119 -17.982 12.891 12.920 1.00 0.00 N ATOM 1834 CA ILE A 119 -18.714 13.811 13.797 1.00 0.00 C ATOM 1835 C ILE A 119 -19.219 15.010 13.001 1.00 0.00 C ATOM 1836 O ILE A 119 -18.411 15.828 12.585 1.00 0.00 O ATOM 1837 CB ILE A 119 -17.803 14.367 14.900 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -16.866 13.294 15.467 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -18.617 15.020 16.004 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -15.542 13.211 14.762 1.00 0.00 C ATOM 0 H ILE A 119 -17.146 13.290 12.493 1.00 0.00 H new ATOM 0 HA ILE A 119 -19.539 13.246 14.232 1.00 0.00 H new ATOM 0 HB ILE A 119 -17.176 15.132 14.443 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -16.692 13.498 16.524 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -17.361 12.324 15.407 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -17.946 15.405 16.772 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -19.201 15.841 15.588 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -19.289 14.283 16.445 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.935 12.430 15.219 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -15.704 12.975 13.710 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -15.025 14.167 14.844 1.00 0.00 H new ATOM 1852 N CYS A 120 -20.515 15.219 12.956 1.00 0.00 N ATOM 1853 CA CYS A 120 -21.072 16.343 12.156 1.00 0.00 C ATOM 1854 C CYS A 120 -21.490 17.496 13.098 1.00 0.00 C ATOM 1855 O CYS A 120 -22.386 17.324 13.928 1.00 0.00 O ATOM 1856 CB CYS A 120 -22.305 15.846 11.357 1.00 0.00 C ATOM 1857 SG CYS A 120 -21.947 14.521 10.106 1.00 0.00 S ATOM 0 H CYS A 120 -21.209 14.653 13.444 1.00 0.00 H new ATOM 0 HA CYS A 120 -20.313 16.706 11.462 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -23.047 15.469 12.061 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -22.754 16.697 10.845 1.00 0.00 H new ATOM 1862 N ASP A 121 -20.829 18.688 12.969 1.00 0.00 N ATOM 1863 CA ASP A 121 -21.159 19.866 13.844 1.00 0.00 C ATOM 1864 C ASP A 121 -22.590 20.322 13.622 1.00 0.00 C ATOM 1865 O ASP A 121 -23.377 20.441 14.550 1.00 0.00 O ATOM 1866 CB ASP A 121 -20.190 21.021 13.558 1.00 0.00 C ATOM 1867 CG ASP A 121 -20.433 22.264 14.404 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -21.415 22.306 15.170 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -19.618 23.209 14.308 1.00 0.00 O ATOM 0 H ASP A 121 -20.087 18.859 12.291 1.00 0.00 H new ATOM 0 HA ASP A 121 -21.055 19.559 14.885 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -19.170 20.675 13.726 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -20.266 21.292 12.505 1.00 0.00 H new ATOM 1874 N ARG A 122 -22.932 20.493 12.352 1.00 0.00 N ATOM 1875 CA ARG A 122 -24.257 20.909 11.919 1.00 0.00 C ATOM 1876 C ARG A 122 -24.893 21.938 12.873 1.00 0.00 C ATOM 1877 O ARG A 122 -24.754 23.162 12.626 1.00 0.00 O ATOM 1878 CB ARG A 122 -25.132 19.678 11.805 1.00 0.00 C ATOM 1879 CG ARG A 122 -26.586 19.980 11.516 1.00 0.00 C ATOM 1880 CD ARG A 122 -27.373 18.691 11.425 1.00 0.00 C ATOM 1881 NE ARG A 122 -26.935 17.870 10.285 1.00 0.00 N ATOM 1882 CZ ARG A 122 -27.353 18.059 9.027 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -28.079 19.139 8.719 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -27.021 17.198 8.076 1.00 0.00 N ATOM 0 H ARG A 122 -22.283 20.343 11.580 1.00 0.00 H new ATOM 0 HA ARG A 122 -24.165 21.404 10.952 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -24.740 19.039 11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -25.067 19.112 12.734 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -26.998 20.613 12.302 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -26.672 20.535 10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -27.254 18.125 12.349 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -28.434 18.918 11.325 1.00 0.00 H new ATOM 0 HE ARG A 122 -26.275 17.113 10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -28.314 19.819 9.442 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -28.397 19.283 7.761 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -26.445 16.387 8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -27.342 17.346 7.119 1.00 0.00 H new