USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=31 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 99 SER OG : rot 109:sc= -0.232 USER MOD Set 1.2: A 115 GLN :FLIP amide:sc= -0.0791 F(o=-3.2!,f=-0.31) USER MOD Set 2.1: A 85 GLN :FLIP amide:sc= -0.445! C(o=-1.1!,f=0.84!) USER MOD Set 2.2: A 87 LYS NZ :NH3+ -169:sc= 0.0796 (180deg=0) USER MOD Set 2.3: A 101 SER OG : rot 153:sc= 1.2 USER MOD Set 3.1: A 65 ASN : amide:sc= -3! C(o=-3!,f=-8!) USER MOD Set 3.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 14 THR OG1 : rot 180:sc= -1.28 USER MOD Set 4.2: A 15 GLN : amide:sc= -5.95! C(o=-7.2!,f=-12!) USER MOD Single : A 1 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.3!) USER MOD Single : A 1 GLN N :NH3+ -141:sc= -0.184 (180deg=-1.39!) USER MOD Single : A 3 ASN : amide:sc= -0.0008 X(o=-0.0008,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 99:sc= 0.0985 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0342 K(o=-0.034,f=-0.96) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.799 USER MOD Single : A 36 TYR OH : rot 180:sc= 0.196 USER MOD Single : A 37 SER OG : rot 80:sc= 0.00282 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00272) USER MOD Single : A 48 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.2) USER MOD Single : A 49 SER OG : rot 43:sc= 0.583 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 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=-0.00129 K(o=-0.0013,f=-0.94) USER MOD Single : A 73 MET CE :methyl -151:sc= -0.0617 (180deg=-0.594) USER MOD Single : A 75 HIS : no HD1:sc=-0.00728 X(o=-0.0073,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0419) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.108 F(o=-1.8!,f=-0.11) USER MOD Single : A 84 SER OG : rot -170:sc= -0.296 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 2:sc= 0.805 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 72:sc= -1.27 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 130:sc= -0.0147 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.461 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 23.388 -7.027 -16.747 1.00 0.00 N ATOM 2 CA GLN A 1 23.198 -8.453 -16.758 1.00 0.00 C ATOM 3 C GLN A 1 21.688 -8.727 -16.728 1.00 0.00 C ATOM 4 O GLN A 1 21.090 -9.051 -17.747 1.00 0.00 O ATOM 5 CB GLN A 1 23.842 -8.931 -15.493 1.00 0.00 C ATOM 6 CG GLN A 1 25.314 -8.666 -15.504 1.00 0.00 C ATOM 7 CD GLN A 1 25.931 -9.005 -14.217 1.00 0.00 C ATOM 8 OE1 GLN A 1 25.871 -10.120 -13.754 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.349 -7.960 -13.555 1.00 0.00 N ATOM 0 H1 GLN A 1 24.175 -6.777 -17.379 1.00 0.00 H new ATOM 0 H2 GLN A 1 22.519 -6.558 -17.074 1.00 0.00 H new ATOM 0 H3 GLN A 1 23.607 -6.713 -15.780 1.00 0.00 H new ATOM 0 HA GLN A 1 23.621 -8.948 -17.632 1.00 0.00 H new ATOM 0 HB2 GLN A 1 23.386 -8.432 -14.638 1.00 0.00 H new ATOM 0 HB3 GLN A 1 23.663 -9.999 -15.371 1.00 0.00 H new ATOM 0 HG2 GLN A 1 25.783 -9.247 -16.298 1.00 0.00 H new ATOM 0 HG3 GLN A 1 25.494 -7.615 -15.729 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.374 -7.046 -14.007 1.00 0.00 H new ATOM 0 HE22 GLN A 1 26.650 -8.058 -12.585 1.00 0.00 H new ATOM 18 N CYS A 2 21.098 -8.574 -15.534 1.00 0.00 N ATOM 19 CA CYS A 2 19.653 -8.718 -15.309 1.00 0.00 C ATOM 20 C CYS A 2 18.968 -7.423 -15.777 1.00 0.00 C ATOM 21 O CYS A 2 17.770 -7.386 -16.025 1.00 0.00 O ATOM 22 CB CYS A 2 19.378 -9.010 -13.849 1.00 0.00 C ATOM 23 SG CYS A 2 20.447 -10.353 -13.203 1.00 0.00 S ATOM 0 H CYS A 2 21.618 -8.344 -14.687 1.00 0.00 H new ATOM 0 HA CYS A 2 19.253 -9.557 -15.878 1.00 0.00 H new ATOM 0 HB2 CYS A 2 19.538 -8.105 -13.262 1.00 0.00 H new ATOM 0 HB3 CYS A 2 18.331 -9.289 -13.726 1.00 0.00 H new ATOM 28 N ASN A 3 19.797 -6.359 -15.894 1.00 0.00 N ATOM 29 CA ASN A 3 19.389 -4.980 -16.276 1.00 0.00 C ATOM 30 C ASN A 3 18.412 -4.401 -15.319 1.00 0.00 C ATOM 31 O ASN A 3 17.524 -3.653 -15.730 1.00 0.00 O ATOM 32 CB ASN A 3 18.740 -4.988 -17.638 1.00 0.00 C ATOM 33 CG ASN A 3 19.694 -5.310 -18.702 1.00 0.00 C ATOM 34 OD1 ASN A 3 20.459 -4.464 -19.156 1.00 0.00 O ATOM 35 ND2 ASN A 3 19.720 -6.536 -19.076 1.00 0.00 N ATOM 0 H ASN A 3 20.799 -6.435 -15.721 1.00 0.00 H new ATOM 0 HA ASN A 3 20.296 -4.376 -16.274 1.00 0.00 H new ATOM 0 HB2 ASN A 3 17.928 -5.715 -17.648 1.00 0.00 H new ATOM 0 HB3 ASN A 3 18.296 -4.012 -17.833 1.00 0.00 H new ATOM 0 HD21 ASN A 3 20.395 -6.841 -19.777 1.00 0.00 H new ATOM 0 HD22 ASN A 3 19.066 -7.206 -18.672 1.00 0.00 H new ATOM 42 N ALA A 4 18.578 -4.736 -14.041 1.00 0.00 N ATOM 43 CA ALA A 4 17.762 -4.187 -12.988 1.00 0.00 C ATOM 44 C ALA A 4 16.336 -4.746 -13.037 1.00 0.00 C ATOM 45 O ALA A 4 15.756 -4.901 -14.106 1.00 0.00 O ATOM 46 CB ALA A 4 17.739 -2.694 -13.139 1.00 0.00 C ATOM 0 H ALA A 4 19.285 -5.397 -13.718 1.00 0.00 H new ATOM 0 HA ALA A 4 18.186 -4.465 -12.023 1.00 0.00 H new ATOM 0 HB1 ALA A 4 17.126 -2.258 -12.350 1.00 0.00 H new ATOM 0 HB2 ALA A 4 18.755 -2.305 -13.066 1.00 0.00 H new ATOM 0 HB3 ALA A 4 17.320 -2.433 -14.111 1.00 0.00 H new ATOM 52 N PRO A 5 15.779 -5.130 -11.897 1.00 0.00 N ATOM 53 CA PRO A 5 14.399 -5.610 -11.867 1.00 0.00 C ATOM 54 C PRO A 5 13.438 -4.483 -12.266 1.00 0.00 C ATOM 55 O PRO A 5 12.659 -4.625 -13.212 1.00 0.00 O ATOM 56 CB PRO A 5 14.200 -6.017 -10.400 1.00 0.00 C ATOM 57 CG PRO A 5 15.233 -5.254 -9.630 1.00 0.00 C ATOM 58 CD PRO A 5 16.405 -5.086 -10.550 1.00 0.00 C ATOM 0 HA PRO A 5 14.206 -6.429 -12.560 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.195 -5.772 -10.058 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.328 -7.092 -10.270 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.845 -4.286 -9.313 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.521 -5.793 -8.727 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.923 -4.143 -10.376 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.138 -5.882 -10.419 1.00 0.00 H new ATOM 66 N GLU A 6 13.568 -3.372 -11.522 1.00 0.00 N ATOM 67 CA GLU A 6 12.832 -2.105 -11.664 1.00 0.00 C ATOM 68 C GLU A 6 12.638 -1.551 -10.272 1.00 0.00 C ATOM 69 O GLU A 6 13.269 -2.047 -9.323 1.00 0.00 O ATOM 70 CB GLU A 6 11.468 -2.257 -12.391 1.00 0.00 C ATOM 71 CG GLU A 6 10.415 -3.054 -11.659 1.00 0.00 C ATOM 72 CD GLU A 6 9.135 -3.189 -12.444 1.00 0.00 C ATOM 73 OE1 GLU A 6 9.206 -3.350 -13.689 1.00 0.00 O ATOM 74 OE2 GLU A 6 8.058 -3.125 -11.839 1.00 0.00 O ATOM 0 H GLU A 6 14.236 -3.333 -10.752 1.00 0.00 H new ATOM 0 HA GLU A 6 13.411 -1.429 -12.292 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.071 -1.261 -12.588 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.644 -2.727 -13.358 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.806 -4.047 -11.437 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.201 -2.574 -10.704 1.00 0.00 H new ATOM 81 N TRP A 7 11.821 -0.572 -10.124 1.00 0.00 N ATOM 82 CA TRP A 7 11.554 -0.111 -8.815 1.00 0.00 C ATOM 83 C TRP A 7 10.223 -0.655 -8.333 1.00 0.00 C ATOM 84 O TRP A 7 9.197 -0.510 -9.000 1.00 0.00 O ATOM 85 CB TRP A 7 11.598 1.431 -8.758 1.00 0.00 C ATOM 86 CG TRP A 7 11.261 1.972 -7.390 1.00 0.00 C ATOM 87 CD1 TRP A 7 12.024 1.879 -6.266 1.00 0.00 C ATOM 88 CD2 TRP A 7 10.099 2.737 -7.030 1.00 0.00 C ATOM 89 NE1 TRP A 7 11.377 2.485 -5.206 1.00 0.00 N ATOM 90 CE2 TRP A 7 10.202 3.031 -5.654 1.00 0.00 C ATOM 91 CE3 TRP A 7 8.968 3.177 -7.731 1.00 0.00 C ATOM 92 CZ2 TRP A 7 9.236 3.752 -4.960 1.00 0.00 C ATOM 93 CZ3 TRP A 7 8.002 3.899 -7.035 1.00 0.00 C ATOM 94 CH2 TRP A 7 8.143 4.181 -5.668 1.00 0.00 C ATOM 0 H TRP A 7 11.335 -0.084 -10.877 1.00 0.00 H new ATOM 0 HA TRP A 7 12.330 -0.480 -8.144 1.00 0.00 H new ATOM 0 HB2 TRP A 7 12.592 1.773 -9.045 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.898 1.838 -9.488 1.00 0.00 H new ATOM 0 HD1 TRP A 7 12.992 1.402 -6.211 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.718 2.520 -4.245 1.00 0.00 H new ATOM 0 HE3 TRP A 7 8.849 2.962 -8.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.343 3.965 -3.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 7.125 4.250 -7.559 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.375 4.748 -5.163 1.00 0.00 H new ATOM 105 N LEU A 8 10.275 -1.276 -7.187 1.00 0.00 N ATOM 106 CA LEU A 8 9.112 -1.857 -6.606 1.00 0.00 C ATOM 107 C LEU A 8 8.647 -0.964 -5.477 1.00 0.00 C ATOM 108 O LEU A 8 9.293 -0.905 -4.443 1.00 0.00 O ATOM 109 CB LEU A 8 9.429 -3.257 -6.073 1.00 0.00 C ATOM 110 CG LEU A 8 8.225 -4.135 -5.751 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.460 -4.483 -7.018 1.00 0.00 C ATOM 112 CD2 LEU A 8 8.657 -5.388 -5.022 1.00 0.00 C ATOM 0 H LEU A 8 11.126 -1.390 -6.636 1.00 0.00 H new ATOM 0 HA LEU A 8 8.328 -1.949 -7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.045 -3.774 -6.809 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.031 -3.153 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 8 7.558 -3.574 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.605 -5.110 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.111 -3.567 -7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.115 -5.021 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.783 -6.000 -4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.348 -5.953 -5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.152 -5.114 -4.090 1.00 0.00 H new ATOM 124 N PRO A 9 7.528 -0.251 -5.661 1.00 0.00 N ATOM 125 CA PRO A 9 7.054 0.706 -4.670 1.00 0.00 C ATOM 126 C PRO A 9 6.688 0.029 -3.335 1.00 0.00 C ATOM 127 O PRO A 9 6.704 0.660 -2.277 1.00 0.00 O ATOM 128 CB PRO A 9 5.796 1.317 -5.326 1.00 0.00 C ATOM 129 CG PRO A 9 5.344 0.294 -6.320 1.00 0.00 C ATOM 130 CD PRO A 9 6.616 -0.338 -6.838 1.00 0.00 C ATOM 0 HA PRO A 9 7.818 1.442 -4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.022 1.517 -4.585 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.025 2.266 -5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.696 -0.448 -5.855 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.774 0.753 -7.128 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.457 -1.370 -7.152 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.014 0.199 -7.699 1.00 0.00 H new ATOM 138 N PHE A 10 6.333 -1.255 -3.402 1.00 0.00 N ATOM 139 CA PHE A 10 5.885 -2.000 -2.232 1.00 0.00 C ATOM 140 C PHE A 10 6.999 -2.088 -1.218 1.00 0.00 C ATOM 141 O PHE A 10 6.817 -1.868 -0.030 1.00 0.00 O ATOM 142 CB PHE A 10 5.661 -3.430 -2.605 1.00 0.00 C ATOM 143 CG PHE A 10 4.719 -3.690 -3.715 1.00 0.00 C ATOM 144 CD1 PHE A 10 3.684 -2.815 -4.036 1.00 0.00 C ATOM 145 CD2 PHE A 10 4.898 -4.827 -4.475 1.00 0.00 C ATOM 146 CE1 PHE A 10 2.850 -3.087 -5.101 1.00 0.00 C ATOM 147 CE2 PHE A 10 4.085 -5.114 -5.526 1.00 0.00 C ATOM 148 CZ PHE A 10 3.050 -4.248 -5.853 1.00 0.00 C ATOM 0 H PHE A 10 6.349 -1.801 -4.263 1.00 0.00 H new ATOM 0 HA PHE A 10 4.994 -1.499 -1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.624 -3.867 -2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.301 -3.959 -1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.534 -1.921 -3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.702 -5.505 -4.230 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.049 -2.408 -5.352 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.243 -6.012 -6.104 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.401 -4.471 -6.687 1.00 0.00 H new ATOM 158 N ALA A 11 8.163 -2.400 -1.750 1.00 0.00 N ATOM 159 CA ALA A 11 9.302 -2.835 -0.998 1.00 0.00 C ATOM 160 C ALA A 11 10.341 -1.771 -0.760 1.00 0.00 C ATOM 161 O ALA A 11 10.399 -0.780 -1.469 1.00 0.00 O ATOM 162 CB ALA A 11 9.909 -4.001 -1.733 1.00 0.00 C ATOM 0 H ALA A 11 8.339 -2.353 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 11 8.955 -3.110 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.782 -4.360 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.175 -4.803 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.210 -3.685 -2.732 1.00 0.00 H new ATOM 168 N ARG A 12 11.146 -1.993 0.260 1.00 0.00 N ATOM 169 CA ARG A 12 12.254 -1.138 0.591 1.00 0.00 C ATOM 170 C ARG A 12 13.547 -1.964 0.567 1.00 0.00 C ATOM 171 O ARG A 12 14.057 -2.333 1.619 1.00 0.00 O ATOM 172 CB ARG A 12 12.068 -0.519 1.979 1.00 0.00 C ATOM 173 CG ARG A 12 13.056 0.601 2.316 1.00 0.00 C ATOM 174 CD ARG A 12 12.617 1.942 1.746 1.00 0.00 C ATOM 175 NE ARG A 12 11.657 2.621 2.631 1.00 0.00 N ATOM 176 CZ ARG A 12 10.730 3.509 2.208 1.00 0.00 C ATOM 177 NH1 ARG A 12 10.633 3.803 0.898 1.00 0.00 N ATOM 178 NH2 ARG A 12 9.927 4.100 3.089 1.00 0.00 N ATOM 0 H ARG A 12 11.041 -2.789 0.890 1.00 0.00 H new ATOM 0 HA ARG A 12 12.309 -0.332 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.054 -0.126 2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.161 -1.305 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.155 0.683 3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.040 0.346 1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.490 2.578 1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.164 1.790 0.766 1.00 0.00 H new ATOM 0 HE ARG A 12 11.694 2.408 3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.258 3.356 0.227 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.934 4.473 0.576 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.012 3.883 4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.227 4.770 2.771 1.00 0.00 H new ATOM 192 N PRO A 13 14.047 -2.338 -0.648 1.00 0.00 N ATOM 193 CA PRO A 13 15.281 -3.099 -0.768 1.00 0.00 C ATOM 194 C PRO A 13 16.480 -2.278 -0.400 1.00 0.00 C ATOM 195 O PRO A 13 16.515 -1.047 -0.594 1.00 0.00 O ATOM 196 CB PRO A 13 15.283 -3.532 -2.222 1.00 0.00 C ATOM 197 CG PRO A 13 14.572 -2.431 -2.925 1.00 0.00 C ATOM 198 CD PRO A 13 13.501 -1.962 -1.953 1.00 0.00 C ATOM 0 HA PRO A 13 15.332 -3.948 -0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 13 16.298 -3.658 -2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.773 -4.486 -2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.255 -1.620 -3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.131 -2.780 -3.858 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.334 -0.887 -2.025 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.544 -2.447 -2.144 1.00 0.00 H new ATOM 206 N THR A 14 17.485 -2.948 0.077 1.00 0.00 N ATOM 207 CA THR A 14 18.559 -2.240 0.701 1.00 0.00 C ATOM 208 C THR A 14 19.763 -2.052 -0.227 1.00 0.00 C ATOM 209 O THR A 14 20.712 -1.348 0.131 1.00 0.00 O ATOM 210 CB THR A 14 19.015 -3.004 1.955 1.00 0.00 C ATOM 211 OG1 THR A 14 19.956 -4.012 1.608 1.00 0.00 O ATOM 212 CG2 THR A 14 17.837 -3.734 2.565 1.00 0.00 C ATOM 0 H THR A 14 17.584 -3.963 0.048 1.00 0.00 H new ATOM 0 HA THR A 14 18.182 -1.250 0.959 1.00 0.00 H new ATOM 0 HB THR A 14 19.447 -2.277 2.643 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.238 -4.489 2.417 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.164 -4.274 3.453 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.066 -3.014 2.841 1.00 0.00 H new ATOM 0 HG23 THR A 14 17.431 -4.440 1.840 1.00 0.00 H new ATOM 220 N GLN A 15 19.718 -2.673 -1.405 1.00 0.00 N ATOM 221 CA GLN A 15 20.898 -2.713 -2.275 1.00 0.00 C ATOM 222 C GLN A 15 20.590 -2.135 -3.647 1.00 0.00 C ATOM 223 O GLN A 15 21.344 -1.387 -4.207 1.00 0.00 O ATOM 224 CB GLN A 15 21.352 -4.174 -2.426 1.00 0.00 C ATOM 225 CG GLN A 15 21.085 -5.015 -1.203 1.00 0.00 C ATOM 226 CD GLN A 15 19.953 -5.962 -1.487 1.00 0.00 C ATOM 227 OE1 GLN A 15 20.144 -7.054 -1.984 1.00 0.00 O ATOM 228 NE2 GLN A 15 18.754 -5.521 -1.218 1.00 0.00 N ATOM 0 H GLN A 15 18.895 -3.148 -1.776 1.00 0.00 H new ATOM 0 HA GLN A 15 21.687 -2.111 -1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.843 -4.618 -3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.420 -4.194 -2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.980 -5.573 -0.929 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.836 -4.376 -0.356 1.00 0.00 H new ATOM 0 HE21 GLN A 15 18.632 -4.598 -0.800 1.00 0.00 H new ATOM 0 HE22 GLN A 15 17.940 -6.099 -1.425 1.00 0.00 H new ATOM 237 N LEU A 16 19.371 -2.361 -4.064 1.00 0.00 N ATOM 238 CA LEU A 16 18.846 -2.033 -5.378 1.00 0.00 C ATOM 239 C LEU A 16 18.926 -0.563 -5.727 1.00 0.00 C ATOM 240 O LEU A 16 18.929 -0.210 -6.905 1.00 0.00 O ATOM 241 CB LEU A 16 17.405 -2.564 -5.496 1.00 0.00 C ATOM 242 CG LEU A 16 16.533 -1.943 -6.577 1.00 0.00 C ATOM 243 CD1 LEU A 16 15.473 -2.898 -7.010 1.00 0.00 C ATOM 244 CD2 LEU A 16 15.853 -0.680 -6.020 1.00 0.00 C ATOM 0 H LEU A 16 18.673 -2.804 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 16 19.485 -2.525 -6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 16 17.452 -3.639 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 16 16.910 -2.420 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 16 17.165 -1.695 -7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.860 -2.435 -7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.937 -3.801 -7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.846 -3.157 -6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.227 -0.233 -6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.235 -0.947 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.614 0.036 -5.710 1.00 0.00 H new ATOM 256 N THR A 17 19.015 0.245 -4.744 1.00 0.00 N ATOM 257 CA THR A 17 18.914 1.658 -4.929 1.00 0.00 C ATOM 258 C THR A 17 20.013 2.144 -5.876 1.00 0.00 C ATOM 259 O THR A 17 19.740 2.965 -6.767 1.00 0.00 O ATOM 260 CB THR A 17 18.987 2.395 -3.549 1.00 0.00 C ATOM 261 OG1 THR A 17 18.795 3.803 -3.727 1.00 0.00 O ATOM 262 CG2 THR A 17 20.308 2.114 -2.825 1.00 0.00 C ATOM 0 H THR A 17 19.161 -0.046 -3.777 1.00 0.00 H new ATOM 0 HA THR A 17 17.950 1.890 -5.381 1.00 0.00 H new ATOM 0 HB THR A 17 18.185 2.007 -2.921 1.00 0.00 H new ATOM 0 HG1 THR A 17 18.841 4.252 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 17 20.320 2.643 -1.872 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.405 1.043 -2.647 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.140 2.456 -3.440 1.00 0.00 H new ATOM 270 N ASP A 18 21.228 1.692 -5.666 1.00 0.00 N ATOM 271 CA ASP A 18 22.299 1.989 -6.556 1.00 0.00 C ATOM 272 C ASP A 18 22.862 0.711 -7.142 1.00 0.00 C ATOM 273 O ASP A 18 23.849 0.717 -7.855 1.00 0.00 O ATOM 274 CB ASP A 18 23.367 2.889 -5.893 1.00 0.00 C ATOM 275 CG ASP A 18 23.784 2.443 -4.518 1.00 0.00 C ATOM 276 OD1 ASP A 18 24.701 1.627 -4.404 1.00 0.00 O ATOM 277 OD2 ASP A 18 23.201 2.946 -3.532 1.00 0.00 O ATOM 0 H ASP A 18 21.490 1.109 -4.871 1.00 0.00 H new ATOM 0 HA ASP A 18 21.912 2.576 -7.389 1.00 0.00 H new ATOM 0 HB2 ASP A 18 24.248 2.921 -6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.981 3.906 -5.831 1.00 0.00 H new ATOM 282 N GLU A 19 22.178 -0.412 -6.852 1.00 0.00 N ATOM 283 CA GLU A 19 22.685 -1.692 -7.253 1.00 0.00 C ATOM 284 C GLU A 19 21.589 -2.439 -7.937 1.00 0.00 C ATOM 285 O GLU A 19 21.070 -3.442 -7.461 1.00 0.00 O ATOM 286 CB GLU A 19 23.127 -2.459 -6.065 1.00 0.00 C ATOM 287 CG GLU A 19 24.241 -1.756 -5.348 1.00 0.00 C ATOM 288 CD GLU A 19 24.751 -2.469 -4.127 1.00 0.00 C ATOM 289 OE1 GLU A 19 24.239 -3.534 -3.790 1.00 0.00 O ATOM 290 OE2 GLU A 19 25.715 -1.961 -3.505 1.00 0.00 O ATOM 0 H GLU A 19 21.291 -0.437 -6.350 1.00 0.00 H new ATOM 0 HA GLU A 19 23.534 -1.557 -7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.286 -2.599 -5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 19 23.458 -3.451 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.069 -1.615 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.897 -0.764 -5.056 1.00 0.00 H new ATOM 297 N PHE A 20 21.215 -1.896 -9.002 1.00 0.00 N ATOM 298 CA PHE A 20 20.197 -2.400 -9.854 1.00 0.00 C ATOM 299 C PHE A 20 20.577 -3.748 -10.489 1.00 0.00 C ATOM 300 O PHE A 20 19.745 -4.640 -10.647 1.00 0.00 O ATOM 301 CB PHE A 20 19.913 -1.385 -10.921 1.00 0.00 C ATOM 302 CG PHE A 20 19.300 -0.125 -10.415 1.00 0.00 C ATOM 303 CD1 PHE A 20 17.927 -0.034 -10.213 1.00 0.00 C ATOM 304 CD2 PHE A 20 20.093 0.981 -10.132 1.00 0.00 C ATOM 305 CE1 PHE A 20 17.354 1.142 -9.745 1.00 0.00 C ATOM 306 CE2 PHE A 20 19.524 2.140 -9.674 1.00 0.00 C ATOM 307 CZ PHE A 20 18.160 2.225 -9.486 1.00 0.00 C ATOM 0 H PHE A 20 21.626 -1.028 -9.345 1.00 0.00 H new ATOM 0 HA PHE A 20 19.306 -2.578 -9.251 1.00 0.00 H new ATOM 0 HB2 PHE A 20 20.844 -1.143 -11.434 1.00 0.00 H new ATOM 0 HB3 PHE A 20 19.247 -1.829 -11.661 1.00 0.00 H new ATOM 0 HD1 PHE A 20 17.299 -0.887 -10.422 1.00 0.00 H new ATOM 0 HD2 PHE A 20 21.162 0.926 -10.274 1.00 0.00 H new ATOM 0 HE1 PHE A 20 16.288 1.205 -9.587 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.149 2.994 -9.458 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.723 3.148 -9.133 1.00 0.00 H new ATOM 317 N GLU A 21 21.834 -3.876 -10.846 1.00 0.00 N ATOM 318 CA GLU A 21 22.292 -5.017 -11.672 1.00 0.00 C ATOM 319 C GLU A 21 23.187 -5.988 -10.914 1.00 0.00 C ATOM 320 O GLU A 21 24.120 -5.583 -10.220 1.00 0.00 O ATOM 321 CB GLU A 21 23.043 -4.470 -12.891 1.00 0.00 C ATOM 322 CG GLU A 21 22.155 -3.739 -13.879 1.00 0.00 C ATOM 323 CD GLU A 21 22.954 -3.094 -15.015 1.00 0.00 C ATOM 324 OE1 GLU A 21 24.178 -3.202 -15.008 1.00 0.00 O ATOM 325 OE2 GLU A 21 22.324 -2.507 -15.915 1.00 0.00 O ATOM 0 H GLU A 21 22.570 -3.218 -10.589 1.00 0.00 H new ATOM 0 HA GLU A 21 21.408 -5.580 -11.971 1.00 0.00 H new ATOM 0 HB2 GLU A 21 23.826 -3.793 -12.550 1.00 0.00 H new ATOM 0 HB3 GLU A 21 23.537 -5.296 -13.403 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.431 -4.437 -14.299 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.589 -2.970 -13.354 1.00 0.00 H new ATOM 332 N PHE A 22 22.883 -7.304 -11.052 1.00 0.00 N ATOM 333 CA PHE A 22 23.671 -8.352 -10.416 1.00 0.00 C ATOM 334 C PHE A 22 23.754 -9.640 -11.279 1.00 0.00 C ATOM 335 O PHE A 22 23.018 -9.797 -12.228 1.00 0.00 O ATOM 336 CB PHE A 22 23.085 -8.705 -9.052 1.00 0.00 C ATOM 337 CG PHE A 22 23.434 -7.739 -7.970 1.00 0.00 C ATOM 338 CD1 PHE A 22 24.674 -7.800 -7.336 1.00 0.00 C ATOM 339 CD2 PHE A 22 22.538 -6.782 -7.567 1.00 0.00 C ATOM 340 CE1 PHE A 22 24.996 -6.905 -6.324 1.00 0.00 C ATOM 341 CE2 PHE A 22 22.842 -5.890 -6.561 1.00 0.00 C ATOM 342 CZ PHE A 22 24.072 -5.944 -5.934 1.00 0.00 C ATOM 0 H PHE A 22 22.095 -7.648 -11.601 1.00 0.00 H new ATOM 0 HA PHE A 22 24.680 -7.956 -10.302 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.000 -8.761 -9.138 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.433 -9.697 -8.765 1.00 0.00 H new ATOM 0 HD1 PHE A 22 25.391 -8.550 -7.635 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.573 -6.726 -8.049 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.961 -6.956 -5.842 1.00 0.00 H new ATOM 0 HE2 PHE A 22 22.117 -5.147 -6.262 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.313 -5.245 -5.147 1.00 0.00 H new ATOM 352 N PRO A 23 24.727 -10.520 -10.955 1.00 0.00 N ATOM 353 CA PRO A 23 24.899 -11.852 -11.558 1.00 0.00 C ATOM 354 C PRO A 23 23.794 -12.844 -11.178 1.00 0.00 C ATOM 355 O PRO A 23 23.105 -12.690 -10.160 1.00 0.00 O ATOM 356 CB PRO A 23 26.250 -12.370 -11.062 1.00 0.00 C ATOM 357 CG PRO A 23 26.897 -11.205 -10.393 1.00 0.00 C ATOM 358 CD PRO A 23 25.803 -10.264 -9.991 1.00 0.00 C ATOM 0 HA PRO A 23 24.849 -11.762 -12.643 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.122 -13.201 -10.368 1.00 0.00 H new ATOM 0 HB3 PRO A 23 26.858 -12.736 -11.889 1.00 0.00 H new ATOM 0 HG2 PRO A 23 27.466 -11.529 -9.522 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.599 -10.714 -11.068 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.473 -10.452 -8.969 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.136 -9.227 -10.033 1.00 0.00 H new ATOM 366 N ILE A 24 23.616 -13.860 -12.015 1.00 0.00 N ATOM 367 CA ILE A 24 22.602 -14.882 -11.792 1.00 0.00 C ATOM 368 C ILE A 24 22.960 -15.714 -10.566 1.00 0.00 C ATOM 369 O ILE A 24 24.087 -16.154 -10.417 1.00 0.00 O ATOM 370 CB ILE A 24 22.495 -15.865 -13.018 1.00 0.00 C ATOM 371 CG1 ILE A 24 22.012 -15.165 -14.293 1.00 0.00 C ATOM 372 CG2 ILE A 24 21.582 -17.064 -12.690 1.00 0.00 C ATOM 373 CD1 ILE A 24 23.079 -14.372 -15.014 1.00 0.00 C ATOM 0 H ILE A 24 24.167 -13.997 -12.862 1.00 0.00 H new ATOM 0 HA ILE A 24 21.652 -14.366 -11.652 1.00 0.00 H new ATOM 0 HB ILE A 24 23.504 -16.230 -13.209 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.611 -15.915 -14.975 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.191 -14.496 -14.036 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.526 -17.726 -13.554 1.00 0.00 H new ATOM 0 HG22 ILE A 24 21.990 -17.610 -11.840 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.583 -16.704 -12.444 1.00 0.00 H new ATOM 0 HD11 ILE A 24 22.651 -13.911 -15.904 1.00 0.00 H new ATOM 0 HD12 ILE A 24 23.465 -13.596 -14.353 1.00 0.00 H new ATOM 0 HD13 ILE A 24 23.892 -15.037 -15.306 1.00 0.00 H new ATOM 385 N GLY A 25 21.972 -15.933 -9.719 1.00 0.00 N ATOM 386 CA GLY A 25 22.188 -16.640 -8.477 1.00 0.00 C ATOM 387 C GLY A 25 22.529 -15.700 -7.334 1.00 0.00 C ATOM 388 O GLY A 25 22.900 -16.144 -6.251 1.00 0.00 O ATOM 0 H GLY A 25 21.010 -15.629 -9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 25 21.293 -17.208 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.996 -17.360 -8.606 1.00 0.00 H new ATOM 392 N THR A 26 22.354 -14.414 -7.572 1.00 0.00 N ATOM 393 CA THR A 26 22.580 -13.410 -6.565 1.00 0.00 C ATOM 394 C THR A 26 21.225 -12.998 -5.987 1.00 0.00 C ATOM 395 O THR A 26 20.283 -12.694 -6.729 1.00 0.00 O ATOM 396 CB THR A 26 23.295 -12.190 -7.157 1.00 0.00 C ATOM 397 OG1 THR A 26 24.622 -12.557 -7.569 1.00 0.00 O ATOM 398 CG2 THR A 26 23.391 -11.063 -6.141 1.00 0.00 C ATOM 0 H THR A 26 22.051 -14.042 -8.472 1.00 0.00 H new ATOM 0 HA THR A 26 23.218 -13.817 -5.781 1.00 0.00 H new ATOM 0 HB THR A 26 22.715 -11.844 -8.013 1.00 0.00 H new ATOM 0 HG1 THR A 26 24.631 -12.719 -8.536 1.00 0.00 H new ATOM 0 HG21 THR A 26 23.903 -10.211 -6.589 1.00 0.00 H new ATOM 0 HG22 THR A 26 22.389 -10.764 -5.834 1.00 0.00 H new ATOM 0 HG23 THR A 26 23.950 -11.405 -5.270 1.00 0.00 H new ATOM 406 N TYR A 27 21.126 -13.010 -4.676 1.00 0.00 N ATOM 407 CA TYR A 27 19.862 -12.766 -4.003 1.00 0.00 C ATOM 408 C TYR A 27 19.820 -11.340 -3.472 1.00 0.00 C ATOM 409 O TYR A 27 20.722 -10.901 -2.754 1.00 0.00 O ATOM 410 CB TYR A 27 19.754 -13.772 -2.816 1.00 0.00 C ATOM 411 CG TYR A 27 19.494 -15.206 -3.239 1.00 0.00 C ATOM 412 CD1 TYR A 27 20.453 -15.948 -3.900 1.00 0.00 C ATOM 413 CD2 TYR A 27 18.298 -15.827 -2.936 1.00 0.00 C ATOM 414 CE1 TYR A 27 20.231 -17.262 -4.263 1.00 0.00 C ATOM 415 CE2 TYR A 27 18.069 -17.151 -3.285 1.00 0.00 C ATOM 416 CZ TYR A 27 19.027 -17.856 -3.951 1.00 0.00 C ATOM 417 OH TYR A 27 18.771 -19.176 -4.319 1.00 0.00 O ATOM 0 H TYR A 27 21.910 -13.187 -4.048 1.00 0.00 H new ATOM 0 HA TYR A 27 19.032 -12.899 -4.697 1.00 0.00 H new ATOM 0 HB2 TYR A 27 20.678 -13.737 -2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 27 18.952 -13.449 -2.153 1.00 0.00 H new ATOM 0 HD1 TYR A 27 21.401 -15.489 -4.139 1.00 0.00 H new ATOM 0 HD2 TYR A 27 17.528 -15.273 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 27 20.994 -17.819 -4.787 1.00 0.00 H new ATOM 0 HE2 TYR A 27 17.132 -17.623 -3.029 1.00 0.00 H new ATOM 0 HH TYR A 27 17.874 -19.432 -4.017 1.00 0.00 H new ATOM 427 N LEU A 28 18.732 -10.639 -3.819 1.00 0.00 N ATOM 428 CA LEU A 28 18.474 -9.274 -3.391 1.00 0.00 C ATOM 429 C LEU A 28 17.587 -9.225 -2.207 1.00 0.00 C ATOM 430 O LEU A 28 16.618 -9.986 -2.093 1.00 0.00 O ATOM 431 CB LEU A 28 17.948 -8.341 -4.495 1.00 0.00 C ATOM 432 CG LEU A 28 18.989 -7.698 -5.396 1.00 0.00 C ATOM 433 CD1 LEU A 28 19.750 -8.743 -6.166 1.00 0.00 C ATOM 434 CD2 LEU A 28 18.338 -6.703 -6.323 1.00 0.00 C ATOM 0 H LEU A 28 17.998 -11.020 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 28 19.456 -8.889 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.259 -8.908 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.369 -7.547 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 28 19.704 -7.162 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.489 -8.259 -6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.255 -9.413 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 28 19.058 -9.316 -6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.096 -6.251 -6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.599 -7.212 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.848 -5.926 -5.736 1.00 0.00 H new ATOM 446 N ASN A 29 17.898 -8.331 -1.336 1.00 0.00 N ATOM 447 CA ASN A 29 17.200 -8.244 -0.112 1.00 0.00 C ATOM 448 C ASN A 29 16.025 -7.258 -0.237 1.00 0.00 C ATOM 449 O ASN A 29 16.208 -6.046 -0.295 1.00 0.00 O ATOM 450 CB ASN A 29 18.161 -7.772 0.987 1.00 0.00 C ATOM 451 CG ASN A 29 17.664 -8.108 2.390 1.00 0.00 C ATOM 452 OD1 ASN A 29 17.033 -9.135 2.610 1.00 0.00 O ATOM 453 ND2 ASN A 29 17.935 -7.234 3.345 1.00 0.00 N ATOM 0 H ASN A 29 18.642 -7.643 -1.455 1.00 0.00 H new ATOM 0 HA ASN A 29 16.804 -9.227 0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.137 -8.232 0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.300 -6.694 0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.616 -7.405 4.299 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.463 -6.389 3.128 1.00 0.00 H new ATOM 460 N TYR A 30 14.856 -7.830 -0.334 1.00 0.00 N ATOM 461 CA TYR A 30 13.585 -7.105 -0.338 1.00 0.00 C ATOM 462 C TYR A 30 12.812 -7.361 0.895 1.00 0.00 C ATOM 463 O TYR A 30 12.718 -8.498 1.372 1.00 0.00 O ATOM 464 CB TYR A 30 12.703 -7.476 -1.531 1.00 0.00 C ATOM 465 CG TYR A 30 13.045 -6.842 -2.852 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.250 -7.020 -3.483 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.066 -6.092 -3.499 1.00 0.00 C ATOM 468 CE1 TYR A 30 14.494 -6.451 -4.718 1.00 0.00 C ATOM 469 CE2 TYR A 30 12.302 -5.523 -4.719 1.00 0.00 C ATOM 470 CZ TYR A 30 13.506 -5.702 -5.327 1.00 0.00 C ATOM 471 OH TYR A 30 13.728 -5.169 -6.556 1.00 0.00 O ATOM 0 H TYR A 30 14.743 -8.840 -0.415 1.00 0.00 H new ATOM 0 HA TYR A 30 13.853 -6.050 -0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 30 12.737 -8.558 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.673 -7.216 -1.286 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.018 -7.613 -3.008 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.103 -5.958 -3.028 1.00 0.00 H new ATOM 0 HE1 TYR A 30 15.449 -6.591 -5.203 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.535 -4.933 -5.199 1.00 0.00 H new ATOM 0 HH TYR A 30 12.935 -4.672 -6.845 1.00 0.00 H new ATOM 481 N GLU A 31 12.271 -6.321 1.421 1.00 0.00 N ATOM 482 CA GLU A 31 11.373 -6.412 2.509 1.00 0.00 C ATOM 483 C GLU A 31 10.062 -5.852 2.051 1.00 0.00 C ATOM 484 O GLU A 31 10.024 -4.775 1.436 1.00 0.00 O ATOM 485 CB GLU A 31 11.881 -5.613 3.716 1.00 0.00 C ATOM 486 CG GLU A 31 11.001 -5.712 4.961 1.00 0.00 C ATOM 487 CD GLU A 31 11.564 -4.922 6.143 1.00 0.00 C ATOM 488 OE1 GLU A 31 12.753 -4.518 6.091 1.00 0.00 O ATOM 489 OE2 GLU A 31 10.812 -4.697 7.119 1.00 0.00 O ATOM 0 H GLU A 31 12.445 -5.368 1.100 1.00 0.00 H new ATOM 0 HA GLU A 31 11.275 -7.451 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.884 -5.958 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.967 -4.565 3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.002 -5.344 4.726 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.896 -6.759 5.245 1.00 0.00 H new ATOM 496 N CYS A 32 8.997 -6.547 2.325 1.00 0.00 N ATOM 497 CA CYS A 32 7.720 -5.983 2.037 1.00 0.00 C ATOM 498 C CYS A 32 7.384 -5.140 3.212 1.00 0.00 C ATOM 499 O CYS A 32 7.478 -5.603 4.350 1.00 0.00 O ATOM 500 CB CYS A 32 6.609 -7.056 1.825 1.00 0.00 C ATOM 501 SG CYS A 32 6.823 -8.098 0.358 1.00 0.00 S ATOM 0 H CYS A 32 8.988 -7.480 2.737 1.00 0.00 H new ATOM 0 HA CYS A 32 7.767 -5.421 1.104 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.571 -7.697 2.706 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.645 -6.551 1.757 1.00 0.00 H new ATOM 506 N ARG A 33 7.022 -3.891 2.965 1.00 0.00 N ATOM 507 CA ARG A 33 6.751 -2.948 4.041 1.00 0.00 C ATOM 508 C ARG A 33 5.692 -3.490 4.996 1.00 0.00 C ATOM 509 O ARG A 33 4.943 -4.399 4.641 1.00 0.00 O ATOM 510 CB ARG A 33 6.295 -1.583 3.476 1.00 0.00 C ATOM 511 CG ARG A 33 7.409 -0.725 2.934 1.00 0.00 C ATOM 512 CD ARG A 33 6.925 0.673 2.573 1.00 0.00 C ATOM 513 NE ARG A 33 6.349 0.743 1.231 1.00 0.00 N ATOM 514 CZ ARG A 33 5.420 1.639 0.869 1.00 0.00 C ATOM 515 NH1 ARG A 33 4.821 2.391 1.787 1.00 0.00 N ATOM 516 NH2 ARG A 33 5.073 1.741 -0.428 1.00 0.00 N ATOM 0 H ARG A 33 6.909 -3.505 2.028 1.00 0.00 H new ATOM 0 HA ARG A 33 7.680 -2.809 4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.569 -1.757 2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.780 -1.032 4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.205 -0.653 3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.837 -1.200 2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.180 0.994 3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.759 1.371 2.642 1.00 0.00 H new ATOM 0 HE ARG A 33 6.672 0.074 0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.068 2.287 2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.115 3.072 1.507 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.516 1.140 -1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.367 2.419 -0.715 1.00 0.00 H new ATOM 530 N PRO A 34 5.600 -2.902 6.189 1.00 0.00 N ATOM 531 CA PRO A 34 4.530 -3.205 7.130 1.00 0.00 C ATOM 532 C PRO A 34 3.208 -2.999 6.443 1.00 0.00 C ATOM 533 O PRO A 34 2.230 -3.649 6.737 1.00 0.00 O ATOM 534 CB PRO A 34 4.717 -2.208 8.274 1.00 0.00 C ATOM 535 CG PRO A 34 6.153 -1.816 8.206 1.00 0.00 C ATOM 536 CD PRO A 34 6.615 -2.008 6.789 1.00 0.00 C ATOM 0 HA PRO A 34 4.553 -4.232 7.495 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.065 -1.343 8.155 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.475 -2.660 9.236 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.280 -0.778 8.512 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.748 -2.424 8.887 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.672 -1.058 6.257 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.609 -2.454 6.752 1.00 0.00 H new ATOM 544 N GLY A 35 3.224 -2.057 5.529 1.00 0.00 N ATOM 545 CA GLY A 35 2.083 -1.757 4.686 1.00 0.00 C ATOM 546 C GLY A 35 1.736 -2.872 3.654 1.00 0.00 C ATOM 547 O GLY A 35 0.834 -2.682 2.854 1.00 0.00 O ATOM 0 H GLY A 35 4.037 -1.469 5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.214 -1.582 5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.277 -0.829 4.149 1.00 0.00 H new ATOM 551 N TYR A 36 2.518 -3.952 3.591 1.00 0.00 N ATOM 552 CA TYR A 36 2.190 -5.031 2.647 1.00 0.00 C ATOM 553 C TYR A 36 1.957 -6.407 3.259 1.00 0.00 C ATOM 554 O TYR A 36 2.730 -6.889 4.088 1.00 0.00 O ATOM 555 CB TYR A 36 3.163 -5.047 1.497 1.00 0.00 C ATOM 556 CG TYR A 36 2.974 -3.829 0.688 1.00 0.00 C ATOM 557 CD1 TYR A 36 1.929 -3.762 -0.225 1.00 0.00 C ATOM 558 CD2 TYR A 36 3.772 -2.720 0.859 1.00 0.00 C ATOM 559 CE1 TYR A 36 1.684 -2.628 -0.946 1.00 0.00 C ATOM 560 CE2 TYR A 36 3.535 -1.556 0.145 1.00 0.00 C ATOM 561 CZ TYR A 36 2.482 -1.513 -0.758 1.00 0.00 C ATOM 562 OH TYR A 36 2.228 -0.363 -1.477 1.00 0.00 O ATOM 0 H TYR A 36 3.353 -4.104 4.157 1.00 0.00 H new ATOM 0 HA TYR A 36 1.202 -4.783 2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.186 -5.095 1.871 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.005 -5.934 0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.296 -4.626 -0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.594 -2.758 1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.873 -2.602 -1.658 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.164 -0.690 0.290 1.00 0.00 H new ATOM 0 HH TYR A 36 2.877 0.328 -1.228 1.00 0.00 H new ATOM 572 N SER A 37 0.873 -7.023 2.805 1.00 0.00 N ATOM 573 CA SER A 37 0.401 -8.362 3.214 1.00 0.00 C ATOM 574 C SER A 37 1.388 -9.489 2.877 1.00 0.00 C ATOM 575 O SER A 37 1.582 -10.422 3.666 1.00 0.00 O ATOM 576 CB SER A 37 -0.931 -8.665 2.519 1.00 0.00 C ATOM 577 OG SER A 37 -1.899 -7.646 2.790 1.00 0.00 O ATOM 0 H SER A 37 0.263 -6.593 2.110 1.00 0.00 H new ATOM 0 HA SER A 37 0.295 -8.333 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.773 -8.744 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.310 -9.629 2.857 1.00 0.00 H new ATOM 0 HG SER A 37 -1.733 -6.875 2.209 1.00 0.00 H new ATOM 583 N GLY A 38 1.963 -9.383 1.679 1.00 0.00 N ATOM 584 CA GLY A 38 2.710 -10.490 1.102 1.00 0.00 C ATOM 585 C GLY A 38 3.975 -10.856 1.823 1.00 0.00 C ATOM 586 O GLY A 38 4.619 -10.004 2.435 1.00 0.00 O ATOM 0 H GLY A 38 1.924 -8.547 1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.063 -11.366 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.959 -10.240 0.070 1.00 0.00 H new ATOM 590 N ARG A 39 4.305 -12.144 1.729 1.00 0.00 N ATOM 591 CA ARG A 39 5.518 -12.720 2.307 1.00 0.00 C ATOM 592 C ARG A 39 6.722 -12.193 1.556 1.00 0.00 C ATOM 593 O ARG A 39 6.780 -12.337 0.336 1.00 0.00 O ATOM 594 CB ARG A 39 5.459 -14.253 2.214 1.00 0.00 C ATOM 595 CG ARG A 39 4.453 -14.901 3.123 1.00 0.00 C ATOM 596 CD ARG A 39 5.043 -15.171 4.509 1.00 0.00 C ATOM 597 NE ARG A 39 5.890 -16.370 4.513 1.00 0.00 N ATOM 598 CZ ARG A 39 5.433 -17.624 4.573 1.00 0.00 C ATOM 599 NH1 ARG A 39 4.127 -17.858 4.679 1.00 0.00 N ATOM 600 NH2 ARG A 39 6.282 -18.647 4.577 1.00 0.00 N ATOM 0 H ARG A 39 3.727 -12.828 1.241 1.00 0.00 H new ATOM 0 HA ARG A 39 5.598 -12.438 3.357 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.231 -14.532 1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.446 -14.655 2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.578 -14.257 3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.113 -15.838 2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.629 -14.310 4.829 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.236 -15.293 5.231 1.00 0.00 H new ATOM 0 HE ARG A 39 6.900 -16.236 4.467 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.470 -17.078 4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.783 -18.817 4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.287 -18.476 4.534 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.929 -19.603 4.623 1.00 0.00 H new ATOM 614 N PRO A 40 7.676 -11.535 2.224 1.00 0.00 N ATOM 615 CA PRO A 40 8.840 -11.031 1.524 1.00 0.00 C ATOM 616 C PRO A 40 9.635 -12.168 0.902 1.00 0.00 C ATOM 617 O PRO A 40 9.804 -13.225 1.519 1.00 0.00 O ATOM 618 CB PRO A 40 9.676 -10.360 2.650 1.00 0.00 C ATOM 619 CG PRO A 40 8.711 -10.157 3.762 1.00 0.00 C ATOM 620 CD PRO A 40 7.679 -11.234 3.655 1.00 0.00 C ATOM 0 HA PRO A 40 8.578 -10.354 0.711 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.508 -10.994 2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.102 -9.414 2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.219 -10.205 4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.248 -9.173 3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.942 -12.107 4.252 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.702 -10.895 3.999 1.00 0.00 H new ATOM 628 N PHE A 41 10.154 -11.946 -0.276 1.00 0.00 N ATOM 629 CA PHE A 41 11.038 -12.914 -0.897 1.00 0.00 C ATOM 630 C PHE A 41 12.169 -12.203 -1.590 1.00 0.00 C ATOM 631 O PHE A 41 11.997 -11.085 -2.059 1.00 0.00 O ATOM 632 CB PHE A 41 10.310 -13.823 -1.923 1.00 0.00 C ATOM 633 CG PHE A 41 9.249 -14.731 -1.336 1.00 0.00 C ATOM 634 CD1 PHE A 41 9.622 -15.859 -0.622 1.00 0.00 C ATOM 635 CD2 PHE A 41 7.904 -14.455 -1.503 1.00 0.00 C ATOM 636 CE1 PHE A 41 8.659 -16.702 -0.087 1.00 0.00 C ATOM 637 CE2 PHE A 41 6.944 -15.303 -0.968 1.00 0.00 C ATOM 638 CZ PHE A 41 7.328 -16.422 -0.258 1.00 0.00 C ATOM 0 H PHE A 41 9.984 -11.106 -0.830 1.00 0.00 H new ATOM 0 HA PHE A 41 11.415 -13.553 -0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.847 -13.191 -2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.052 -14.438 -2.431 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.669 -16.083 -0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.599 -13.576 -2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.958 -17.581 0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.895 -15.087 -1.108 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.580 -17.077 0.163 1.00 0.00 H new ATOM 648 N SER A 42 13.322 -12.822 -1.617 1.00 0.00 N ATOM 649 CA SER A 42 14.417 -12.303 -2.394 1.00 0.00 C ATOM 650 C SER A 42 14.151 -12.562 -3.915 1.00 0.00 C ATOM 651 O SER A 42 13.544 -13.587 -4.282 1.00 0.00 O ATOM 652 CB SER A 42 15.739 -12.939 -1.946 1.00 0.00 C ATOM 653 OG SER A 42 15.867 -12.891 -0.528 1.00 0.00 O ATOM 0 H SER A 42 13.526 -13.684 -1.111 1.00 0.00 H new ATOM 0 HA SER A 42 14.496 -11.228 -2.234 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.783 -13.974 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.575 -12.416 -2.409 1.00 0.00 H new ATOM 0 HG SER A 42 16.716 -13.303 -0.262 1.00 0.00 H new ATOM 659 N ILE A 43 14.622 -11.652 -4.746 1.00 0.00 N ATOM 660 CA ILE A 43 14.532 -11.831 -6.193 1.00 0.00 C ATOM 661 C ILE A 43 15.889 -12.240 -6.757 1.00 0.00 C ATOM 662 O ILE A 43 16.919 -11.657 -6.425 1.00 0.00 O ATOM 663 CB ILE A 43 14.008 -10.579 -6.953 1.00 0.00 C ATOM 664 CG1 ILE A 43 14.905 -9.368 -6.704 1.00 0.00 C ATOM 665 CG2 ILE A 43 12.547 -10.290 -6.620 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.547 -8.178 -7.559 1.00 0.00 C ATOM 0 H ILE A 43 15.070 -10.784 -4.452 1.00 0.00 H new ATOM 0 HA ILE A 43 13.797 -12.620 -6.351 1.00 0.00 H new ATOM 0 HB ILE A 43 14.049 -10.797 -8.020 1.00 0.00 H new ATOM 0 HG12 ILE A 43 14.839 -9.085 -5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 43 15.941 -9.646 -6.895 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.216 -9.409 -7.169 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.933 -11.145 -6.903 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.447 -10.109 -5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.221 -7.352 -7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.640 -8.445 -8.612 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.521 -7.876 -7.350 1.00 0.00 H new ATOM 678 N ILE A 44 15.875 -13.309 -7.492 1.00 0.00 N ATOM 679 CA ILE A 44 17.056 -13.904 -8.063 1.00 0.00 C ATOM 680 C ILE A 44 16.897 -14.029 -9.589 1.00 0.00 C ATOM 681 O ILE A 44 15.857 -14.434 -10.053 1.00 0.00 O ATOM 682 CB ILE A 44 17.337 -15.304 -7.438 1.00 0.00 C ATOM 683 CG1 ILE A 44 17.064 -15.252 -5.931 1.00 0.00 C ATOM 684 CG2 ILE A 44 18.829 -15.658 -7.666 1.00 0.00 C ATOM 685 CD1 ILE A 44 15.719 -15.840 -5.515 1.00 0.00 C ATOM 0 H ILE A 44 15.017 -13.811 -7.721 1.00 0.00 H new ATOM 0 HA ILE A 44 17.905 -13.257 -7.841 1.00 0.00 H new ATOM 0 HB ILE A 44 16.694 -16.053 -7.901 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.858 -15.788 -5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 44 17.111 -14.214 -5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.041 -16.636 -7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 44 19.038 -15.681 -8.735 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.458 -14.906 -7.189 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.607 -15.763 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.915 -15.290 -6.003 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.673 -16.888 -5.811 1.00 0.00 H new ATOM 697 N CYS A 45 17.876 -13.576 -10.365 1.00 0.00 N ATOM 698 CA CYS A 45 17.839 -13.681 -11.880 1.00 0.00 C ATOM 699 C CYS A 45 17.767 -15.160 -12.406 1.00 0.00 C ATOM 700 O CYS A 45 18.448 -15.537 -13.356 1.00 0.00 O ATOM 701 CB CYS A 45 19.085 -12.984 -12.455 1.00 0.00 C ATOM 702 SG CYS A 45 19.419 -11.327 -11.755 1.00 0.00 S ATOM 0 H CYS A 45 18.718 -13.128 -10.003 1.00 0.00 H new ATOM 0 HA CYS A 45 16.923 -13.194 -12.216 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.954 -13.619 -12.282 1.00 0.00 H new ATOM 0 HB3 CYS A 45 18.968 -12.891 -13.535 1.00 0.00 H new ATOM 707 N LEU A 46 16.918 -15.955 -11.760 1.00 0.00 N ATOM 708 CA LEU A 46 16.771 -17.385 -12.006 1.00 0.00 C ATOM 709 C LEU A 46 16.270 -17.695 -13.405 1.00 0.00 C ATOM 710 O LEU A 46 16.752 -18.615 -14.059 1.00 0.00 O ATOM 711 CB LEU A 46 15.806 -18.025 -11.035 1.00 0.00 C ATOM 712 CG LEU A 46 16.218 -18.048 -9.578 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.137 -18.666 -8.725 1.00 0.00 C ATOM 714 CD2 LEU A 46 17.557 -18.739 -9.377 1.00 0.00 C ATOM 0 H LEU A 46 16.295 -15.611 -11.029 1.00 0.00 H new ATOM 0 HA LEU A 46 17.774 -17.793 -11.878 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.852 -17.503 -11.110 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.633 -19.052 -11.355 1.00 0.00 H new ATOM 0 HG LEU A 46 16.349 -17.015 -9.256 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.455 -18.672 -7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.220 -18.084 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.954 -19.689 -9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.814 -18.733 -8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.492 -19.769 -9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.327 -18.212 -9.940 1.00 0.00 H new ATOM 726 N LYS A 47 15.294 -16.912 -13.864 1.00 0.00 N ATOM 727 CA LYS A 47 14.630 -17.240 -15.115 1.00 0.00 C ATOM 728 C LYS A 47 15.022 -16.239 -16.168 1.00 0.00 C ATOM 729 O LYS A 47 14.843 -15.028 -15.994 1.00 0.00 O ATOM 730 CB LYS A 47 13.105 -17.184 -14.945 1.00 0.00 C ATOM 731 CG LYS A 47 12.465 -17.719 -16.154 1.00 0.00 C ATOM 732 CD LYS A 47 12.724 -19.209 -16.190 1.00 0.00 C ATOM 733 CE LYS A 47 12.408 -19.785 -17.496 1.00 0.00 C ATOM 734 NZ LYS A 47 10.976 -19.660 -17.895 1.00 0.00 N ATOM 0 H LYS A 47 14.956 -16.069 -13.400 1.00 0.00 H new ATOM 0 HA LYS A 47 14.929 -18.246 -15.409 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.803 -17.763 -14.072 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.784 -16.157 -14.773 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.394 -17.517 -16.141 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.869 -17.239 -17.045 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.770 -19.402 -15.952 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.126 -19.700 -15.422 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.027 -19.301 -18.252 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.680 -20.841 -17.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.830 -20.122 -18.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.375 -20.116 -17.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.723 -18.654 -17.969 1.00 0.00 H new ATOM 748 N ASN A 48 15.589 -16.758 -17.238 1.00 0.00 N ATOM 749 CA ASN A 48 16.026 -15.980 -18.383 1.00 0.00 C ATOM 750 C ASN A 48 16.972 -14.885 -17.912 1.00 0.00 C ATOM 751 O ASN A 48 17.006 -13.801 -18.482 1.00 0.00 O ATOM 752 CB ASN A 48 14.839 -15.350 -19.108 1.00 0.00 C ATOM 753 CG ASN A 48 15.198 -14.890 -20.510 1.00 0.00 C ATOM 754 OD1 ASN A 48 15.983 -15.531 -21.193 1.00 0.00 O ATOM 755 ND2 ASN A 48 14.636 -13.772 -20.929 1.00 0.00 N ATOM 0 H ASN A 48 15.764 -17.758 -17.339 1.00 0.00 H new ATOM 0 HA ASN A 48 16.536 -16.646 -19.079 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.024 -16.072 -19.162 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.473 -14.500 -18.532 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.851 -13.410 -21.858 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.986 -13.270 -20.324 1.00 0.00 H new ATOM 762 N SER A 49 17.792 -15.223 -16.922 1.00 0.00 N ATOM 763 CA SER A 49 18.723 -14.300 -16.326 1.00 0.00 C ATOM 764 C SER A 49 18.072 -12.960 -15.933 1.00 0.00 C ATOM 765 O SER A 49 18.754 -11.936 -15.781 1.00 0.00 O ATOM 766 CB SER A 49 19.951 -14.068 -17.233 1.00 0.00 C ATOM 767 OG SER A 49 19.598 -14.121 -18.614 1.00 0.00 O ATOM 0 H SER A 49 17.821 -16.157 -16.514 1.00 0.00 H new ATOM 0 HA SER A 49 19.062 -14.769 -15.402 1.00 0.00 H new ATOM 0 HB2 SER A 49 20.394 -13.098 -17.007 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.709 -14.822 -17.021 1.00 0.00 H new ATOM 0 HG SER A 49 18.758 -13.637 -18.756 1.00 0.00 H new ATOM 773 N VAL A 50 16.749 -12.964 -15.759 1.00 0.00 N ATOM 774 CA VAL A 50 16.075 -11.742 -15.413 1.00 0.00 C ATOM 775 C VAL A 50 15.809 -11.735 -13.922 1.00 0.00 C ATOM 776 O VAL A 50 16.655 -11.360 -13.173 1.00 0.00 O ATOM 777 CB VAL A 50 14.755 -11.504 -16.231 1.00 0.00 C ATOM 778 CG1 VAL A 50 14.112 -10.175 -15.834 1.00 0.00 C ATOM 779 CG2 VAL A 50 15.056 -11.496 -17.727 1.00 0.00 C ATOM 0 H VAL A 50 16.149 -13.783 -15.852 1.00 0.00 H new ATOM 0 HA VAL A 50 16.729 -10.912 -15.680 1.00 0.00 H new ATOM 0 HB VAL A 50 14.063 -12.315 -16.007 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.199 -10.026 -16.410 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.872 -10.190 -14.771 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.806 -9.360 -16.037 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.133 -11.330 -18.283 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.763 -10.698 -17.952 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.487 -12.454 -18.017 1.00 0.00 H new ATOM 789 N TRP A 51 14.640 -12.209 -13.497 1.00 0.00 N ATOM 790 CA TRP A 51 14.303 -12.294 -12.086 1.00 0.00 C ATOM 791 C TRP A 51 13.307 -13.421 -11.829 1.00 0.00 C ATOM 792 O TRP A 51 12.761 -13.995 -12.774 1.00 0.00 O ATOM 793 CB TRP A 51 13.830 -10.949 -11.487 1.00 0.00 C ATOM 794 CG TRP A 51 14.933 -9.874 -11.488 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.048 -8.819 -12.335 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.099 -9.833 -10.636 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.195 -8.114 -12.053 1.00 0.00 N ATOM 798 CE2 TRP A 51 16.851 -8.708 -11.011 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.569 -10.619 -9.589 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.048 -8.354 -10.371 1.00 0.00 C ATOM 801 CZ3 TRP A 51 17.751 -10.263 -8.973 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.467 -9.147 -9.360 1.00 0.00 C ATOM 0 H TRP A 51 13.906 -12.543 -14.121 1.00 0.00 H new ATOM 0 HA TRP A 51 15.226 -12.535 -11.559 1.00 0.00 H new ATOM 0 HB2 TRP A 51 12.974 -10.585 -12.055 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.489 -11.112 -10.465 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.343 -8.570 -13.115 1.00 0.00 H new ATOM 0 HE1 TRP A 51 16.508 -7.277 -12.545 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.020 -11.490 -9.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 18.611 -7.484 -10.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.127 -10.874 -8.166 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.383 -8.902 -8.843 1.00 0.00 H new ATOM 813 N THR A 52 13.113 -13.755 -10.572 1.00 0.00 N ATOM 814 CA THR A 52 12.243 -14.864 -10.187 1.00 0.00 C ATOM 815 C THR A 52 10.757 -14.585 -10.544 1.00 0.00 C ATOM 816 O THR A 52 10.018 -15.495 -10.872 1.00 0.00 O ATOM 817 CB THR A 52 12.376 -15.122 -8.661 1.00 0.00 C ATOM 818 OG1 THR A 52 12.033 -13.948 -7.935 1.00 0.00 O ATOM 819 CG2 THR A 52 13.777 -15.451 -8.331 1.00 0.00 C ATOM 0 H THR A 52 13.548 -13.273 -9.785 1.00 0.00 H new ATOM 0 HA THR A 52 12.557 -15.746 -10.745 1.00 0.00 H new ATOM 0 HB THR A 52 11.711 -15.944 -8.395 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.118 -14.121 -6.974 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.866 -15.631 -7.260 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.079 -16.346 -8.876 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.422 -14.619 -8.614 1.00 0.00 H new ATOM 827 N GLY A 53 10.371 -13.318 -10.483 1.00 0.00 N ATOM 828 CA GLY A 53 8.983 -12.933 -10.723 1.00 0.00 C ATOM 829 C GLY A 53 8.551 -11.865 -9.763 1.00 0.00 C ATOM 830 O GLY A 53 7.603 -12.030 -9.023 1.00 0.00 O ATOM 0 H GLY A 53 10.995 -12.540 -10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.873 -12.574 -11.746 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.336 -13.804 -10.619 1.00 0.00 H new ATOM 834 N ALA A 54 9.257 -10.756 -9.818 1.00 0.00 N ATOM 835 CA ALA A 54 9.119 -9.636 -8.892 1.00 0.00 C ATOM 836 C ALA A 54 7.770 -8.886 -8.985 1.00 0.00 C ATOM 837 O ALA A 54 7.702 -7.721 -8.610 1.00 0.00 O ATOM 838 CB ALA A 54 10.278 -8.683 -9.088 1.00 0.00 C ATOM 0 H ALA A 54 9.969 -10.597 -10.531 1.00 0.00 H new ATOM 0 HA ALA A 54 9.134 -10.060 -7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.180 -7.844 -8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.215 -9.205 -8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.275 -8.312 -10.113 1.00 0.00 H new ATOM 844 N LYS A 55 6.699 -9.526 -9.436 1.00 0.00 N ATOM 845 CA LYS A 55 5.434 -8.807 -9.536 1.00 0.00 C ATOM 846 C LYS A 55 4.482 -9.335 -8.431 1.00 0.00 C ATOM 847 O LYS A 55 4.628 -10.456 -7.976 1.00 0.00 O ATOM 848 CB LYS A 55 4.683 -9.034 -10.837 1.00 0.00 C ATOM 849 CG LYS A 55 3.936 -10.348 -10.831 1.00 0.00 C ATOM 850 CD LYS A 55 3.128 -10.569 -12.061 1.00 0.00 C ATOM 851 CE LYS A 55 2.411 -11.872 -11.918 1.00 0.00 C ATOM 852 NZ LYS A 55 1.536 -12.172 -13.084 1.00 0.00 N ATOM 0 H LYS A 55 6.676 -10.503 -9.728 1.00 0.00 H new ATOM 0 HA LYS A 55 5.693 -7.751 -9.455 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.980 -8.217 -10.998 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.386 -9.019 -11.670 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.650 -11.164 -10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.279 -10.381 -9.962 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.416 -9.756 -12.199 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.771 -10.583 -12.941 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.140 -12.673 -11.800 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.808 -11.853 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.062 -13.086 -12.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.821 -11.423 -13.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.113 -12.217 -13.948 1.00 0.00 H new ATOM 866 N ASP A 56 3.548 -8.470 -7.981 1.00 0.00 N ATOM 867 CA ASP A 56 2.476 -8.821 -6.987 1.00 0.00 C ATOM 868 C ASP A 56 3.066 -9.520 -5.772 1.00 0.00 C ATOM 869 O ASP A 56 2.352 -10.226 -5.031 1.00 0.00 O ATOM 870 CB ASP A 56 1.455 -9.764 -7.660 1.00 0.00 C ATOM 871 CG ASP A 56 0.556 -9.081 -8.679 1.00 0.00 C ATOM 872 OD1 ASP A 56 0.448 -7.843 -8.660 1.00 0.00 O ATOM 873 OD2 ASP A 56 -0.018 -9.789 -9.550 1.00 0.00 O ATOM 0 H ASP A 56 3.505 -7.499 -8.291 1.00 0.00 H new ATOM 0 HA ASP A 56 1.992 -7.901 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.994 -10.574 -8.152 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.833 -10.218 -6.889 1.00 0.00 H new ATOM 878 N ARG A 57 4.359 -9.300 -5.541 1.00 0.00 N ATOM 879 CA ARG A 57 5.079 -9.980 -4.469 1.00 0.00 C ATOM 880 C ARG A 57 4.557 -9.555 -3.101 1.00 0.00 C ATOM 881 O ARG A 57 4.419 -10.368 -2.192 1.00 0.00 O ATOM 882 CB ARG A 57 6.573 -9.707 -4.575 1.00 0.00 C ATOM 883 CG ARG A 57 7.167 -10.198 -5.882 1.00 0.00 C ATOM 884 CD ARG A 57 7.065 -11.705 -6.130 1.00 0.00 C ATOM 885 NE ARG A 57 7.911 -12.570 -5.309 1.00 0.00 N ATOM 886 CZ ARG A 57 8.000 -13.902 -5.537 1.00 0.00 C ATOM 887 NH1 ARG A 57 7.320 -14.442 -6.542 1.00 0.00 N ATOM 888 NH2 ARG A 57 8.780 -14.685 -4.786 1.00 0.00 N ATOM 0 H ARG A 57 4.930 -8.653 -6.085 1.00 0.00 H new ATOM 0 HA ARG A 57 4.910 -11.051 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.750 -8.636 -4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.086 -10.190 -3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.673 -9.679 -6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.219 -9.913 -5.912 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.028 -12.004 -5.980 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.303 -11.893 -7.177 1.00 0.00 H new ATOM 0 HE ARG A 57 8.448 -12.160 -4.545 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.735 -13.854 -7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.382 -15.444 -6.720 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.324 -14.282 -4.023 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.832 -15.686 -4.976 1.00 0.00 H new ATOM 902 N CYS A 58 4.257 -8.282 -2.976 1.00 0.00 N ATOM 903 CA CYS A 58 3.775 -7.733 -1.747 1.00 0.00 C ATOM 904 C CYS A 58 2.402 -7.299 -2.089 1.00 0.00 C ATOM 905 O CYS A 58 2.144 -6.878 -3.210 1.00 0.00 O ATOM 906 CB CYS A 58 4.624 -6.524 -1.359 1.00 0.00 C ATOM 907 SG CYS A 58 6.441 -6.889 -1.238 1.00 0.00 S ATOM 0 H CYS A 58 4.344 -7.603 -3.732 1.00 0.00 H new ATOM 0 HA CYS A 58 3.810 -8.433 -0.912 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.470 -5.733 -2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.276 -6.140 -0.400 1.00 0.00 H new ATOM 912 N ARG A 59 1.520 -7.379 -1.169 1.00 0.00 N ATOM 913 CA ARG A 59 0.154 -7.266 -1.519 1.00 0.00 C ATOM 914 C ARG A 59 -0.570 -6.313 -0.626 1.00 0.00 C ATOM 915 O ARG A 59 -0.216 -6.137 0.535 1.00 0.00 O ATOM 916 CB ARG A 59 -0.424 -8.668 -1.456 1.00 0.00 C ATOM 917 CG ARG A 59 0.177 -9.543 -2.528 1.00 0.00 C ATOM 918 CD ARG A 59 -0.328 -10.944 -2.474 1.00 0.00 C ATOM 919 NE ARG A 59 0.299 -11.761 -3.504 1.00 0.00 N ATOM 920 CZ ARG A 59 -0.107 -12.965 -3.862 1.00 0.00 C ATOM 921 NH1 ARG A 59 -1.122 -13.564 -3.230 1.00 0.00 N ATOM 922 NH2 ARG A 59 0.546 -13.595 -4.833 1.00 0.00 N ATOM 0 H ARG A 59 1.713 -7.521 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 59 0.041 -6.853 -2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.231 -9.102 -0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.506 -8.626 -1.579 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.046 -9.118 -3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.262 -9.547 -2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.125 -11.371 -1.492 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.410 -10.951 -2.607 1.00 0.00 H new ATOM 0 HE ARG A 59 1.112 -11.374 -3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.594 -13.090 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.424 -14.495 -3.518 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.343 -13.147 -5.285 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.250 -14.526 -5.126 1.00 0.00 H new ATOM 936 N ARG A 60 -1.591 -5.720 -1.167 1.00 0.00 N ATOM 937 CA ARG A 60 -2.439 -4.828 -0.441 1.00 0.00 C ATOM 938 C ARG A 60 -3.882 -5.327 -0.563 1.00 0.00 C ATOM 939 O ARG A 60 -4.233 -6.035 -1.525 1.00 0.00 O ATOM 940 CB ARG A 60 -2.351 -3.420 -1.004 1.00 0.00 C ATOM 941 CG ARG A 60 -2.876 -3.295 -2.422 1.00 0.00 C ATOM 942 CD ARG A 60 -2.808 -1.850 -2.914 1.00 0.00 C ATOM 943 NE ARG A 60 -1.439 -1.355 -3.020 1.00 0.00 N ATOM 944 CZ ARG A 60 -1.112 -0.095 -3.344 1.00 0.00 C ATOM 945 NH1 ARG A 60 -2.067 0.798 -3.634 1.00 0.00 N ATOM 946 NH2 ARG A 60 0.148 0.282 -3.345 1.00 0.00 N ATOM 0 H ARG A 60 -1.862 -5.846 -2.142 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.123 -4.803 0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.912 -2.744 -0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.311 -3.094 -0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.294 -3.935 -3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.907 -3.647 -2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.292 -1.779 -3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.369 -1.211 -2.232 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.680 -2.011 -2.835 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.048 0.521 -3.609 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.813 1.755 -3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.880 -0.384 -3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.393 1.241 -3.592 1.00 0.00 H new ATOM 960 N LYS A 61 -4.694 -4.991 0.396 1.00 0.00 N ATOM 961 CA LYS A 61 -6.045 -5.521 0.514 1.00 0.00 C ATOM 962 C LYS A 61 -7.104 -4.432 0.355 1.00 0.00 C ATOM 963 O LYS A 61 -6.839 -3.239 0.536 1.00 0.00 O ATOM 964 CB LYS A 61 -6.153 -6.243 1.860 1.00 0.00 C ATOM 965 CG LYS A 61 -7.175 -7.388 1.927 1.00 0.00 C ATOM 966 CD LYS A 61 -8.598 -6.934 2.041 1.00 0.00 C ATOM 967 CE LYS A 61 -9.537 -8.127 2.063 1.00 0.00 C ATOM 968 NZ LYS A 61 -10.950 -7.735 2.201 1.00 0.00 N ATOM 0 H LYS A 61 -4.445 -4.333 1.134 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.236 -6.227 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.172 -6.642 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.408 -5.509 2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.072 -8.005 1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.938 -8.022 2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.727 -6.346 2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.847 -6.284 1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.411 -8.700 1.145 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.264 -8.784 2.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.547 -8.586 2.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.080 -7.211 3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.222 -7.130 1.400 1.00 0.00 H new ATOM 982 N SER A 62 -8.268 -4.841 -0.091 1.00 0.00 N ATOM 983 CA SER A 62 -9.395 -3.948 -0.260 1.00 0.00 C ATOM 984 C SER A 62 -9.893 -3.461 1.106 1.00 0.00 C ATOM 985 O SER A 62 -9.876 -4.212 2.079 1.00 0.00 O ATOM 986 CB SER A 62 -10.508 -4.698 -0.955 1.00 0.00 C ATOM 987 OG SER A 62 -10.083 -5.152 -2.247 1.00 0.00 O ATOM 0 H SER A 62 -8.463 -5.808 -0.349 1.00 0.00 H new ATOM 0 HA SER A 62 -9.089 -3.086 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.814 -5.550 -0.347 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.379 -4.051 -1.060 1.00 0.00 H new ATOM 0 HG SER A 62 -10.816 -5.637 -2.681 1.00 0.00 H new ATOM 993 N CYS A 63 -10.367 -2.248 1.145 1.00 0.00 N ATOM 994 CA CYS A 63 -10.795 -1.623 2.396 1.00 0.00 C ATOM 995 C CYS A 63 -12.278 -1.808 2.649 1.00 0.00 C ATOM 996 O CYS A 63 -12.979 -2.481 1.882 1.00 0.00 O ATOM 997 CB CYS A 63 -10.363 -0.150 2.421 1.00 0.00 C ATOM 998 SG CYS A 63 -8.637 0.049 2.978 1.00 0.00 S ATOM 0 H CYS A 63 -10.473 -1.654 0.322 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.297 -2.128 3.224 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.473 0.277 1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.024 0.410 3.082 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.744 -1.259 3.733 1.00 0.00 N ATOM 1004 CA ARG A 64 -14.083 -1.511 4.170 1.00 0.00 C ATOM 1005 C ARG A 64 -14.845 -0.230 4.515 1.00 0.00 C ATOM 1006 O ARG A 64 -14.332 0.642 5.189 1.00 0.00 O ATOM 1007 CB ARG A 64 -13.948 -2.380 5.403 1.00 0.00 C ATOM 1008 CG ARG A 64 -13.230 -1.666 6.536 1.00 0.00 C ATOM 1009 CD ARG A 64 -13.108 -2.535 7.736 1.00 0.00 C ATOM 1010 NE ARG A 64 -12.416 -1.853 8.835 1.00 0.00 N ATOM 1011 CZ ARG A 64 -13.036 -1.325 9.900 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -14.337 -1.487 10.062 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -12.342 -0.675 10.821 1.00 0.00 N ATOM 0 H ARG A 64 -12.211 -0.630 4.333 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.654 -1.988 3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -14.939 -2.686 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -13.404 -3.289 5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.238 -1.360 6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.773 -0.757 6.797 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -14.101 -2.841 8.066 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.566 -3.443 7.473 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.400 -1.776 8.786 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -14.875 -2.016 9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.804 -1.083 10.874 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.332 -0.574 10.722 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.817 -0.275 11.630 1.00 0.00 H new ATOM 1027 N ASN A 65 -16.096 -0.133 4.082 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.942 1.009 4.482 1.00 0.00 C ATOM 1029 C ASN A 65 -18.406 0.652 4.854 1.00 0.00 C ATOM 1030 O ASN A 65 -19.242 1.542 4.849 1.00 0.00 O ATOM 1031 CB ASN A 65 -16.949 2.127 3.424 1.00 0.00 C ATOM 1032 CG ASN A 65 -15.824 3.145 3.583 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -15.425 3.758 2.631 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -15.319 3.328 4.789 1.00 0.00 N ATOM 0 H ASN A 65 -16.549 -0.809 3.467 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.465 1.362 5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.878 1.676 2.434 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.905 2.649 3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.569 4.005 4.931 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.678 2.792 5.579 1.00 0.00 H new ATOM 1041 N PRO A 66 -18.748 -0.650 5.214 1.00 0.00 N ATOM 1042 CA PRO A 66 -20.117 -0.995 5.674 1.00 0.00 C ATOM 1043 C PRO A 66 -20.617 -0.140 6.895 1.00 0.00 C ATOM 1044 O PRO A 66 -21.816 0.119 6.992 1.00 0.00 O ATOM 1045 CB PRO A 66 -20.002 -2.462 6.066 1.00 0.00 C ATOM 1046 CG PRO A 66 -18.887 -2.980 5.267 1.00 0.00 C ATOM 1047 CD PRO A 66 -17.899 -1.856 5.187 1.00 0.00 C ATOM 0 HA PRO A 66 -20.850 -0.793 4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.808 -2.572 7.133 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.925 -3.001 5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -18.444 -3.860 5.734 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.221 -3.281 4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.201 -1.875 6.024 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.304 -1.908 4.275 1.00 0.00 H new ATOM 1055 N PRO A 67 -19.713 0.281 7.850 1.00 0.00 N ATOM 1056 CA PRO A 67 -20.140 1.097 9.022 1.00 0.00 C ATOM 1057 C PRO A 67 -20.786 2.414 8.593 1.00 0.00 C ATOM 1058 O PRO A 67 -21.685 2.888 9.274 1.00 0.00 O ATOM 1059 CB PRO A 67 -18.786 1.475 9.672 1.00 0.00 C ATOM 1060 CG PRO A 67 -17.709 0.959 8.744 1.00 0.00 C ATOM 1061 CD PRO A 67 -18.323 -0.136 7.974 1.00 0.00 C ATOM 0 HA PRO A 67 -20.852 0.558 9.647 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -18.704 2.554 9.800 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -18.692 1.029 10.662 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.353 1.749 8.082 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.847 0.603 9.308 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -17.851 -0.257 6.999 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -18.234 -1.091 8.492 1.00 0.00 H new ATOM 1069 N ASP A 68 -20.362 2.941 7.421 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.893 4.197 6.807 1.00 0.00 C ATOM 1071 C ASP A 68 -20.934 5.412 7.797 1.00 0.00 C ATOM 1072 O ASP A 68 -20.937 5.262 9.010 1.00 0.00 O ATOM 1073 CB ASP A 68 -22.278 3.939 6.099 1.00 0.00 C ATOM 1074 CG ASP A 68 -23.524 4.400 6.879 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -23.921 3.723 7.856 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -24.128 5.409 6.453 1.00 0.00 O ATOM 0 H ASP A 68 -19.630 2.504 6.861 1.00 0.00 H new ATOM 0 HA ASP A 68 -20.180 4.493 6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.270 4.443 5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -22.371 2.871 5.901 1.00 0.00 H new ATOM 1081 N PRO A 69 -20.873 6.627 7.260 1.00 0.00 N ATOM 1082 CA PRO A 69 -20.980 7.875 8.035 1.00 0.00 C ATOM 1083 C PRO A 69 -22.386 8.085 8.587 1.00 0.00 C ATOM 1084 O PRO A 69 -23.350 7.550 8.069 1.00 0.00 O ATOM 1085 CB PRO A 69 -20.630 8.943 6.998 1.00 0.00 C ATOM 1086 CG PRO A 69 -21.107 8.340 5.747 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.674 6.912 5.838 1.00 0.00 C ATOM 0 HA PRO A 69 -20.334 7.887 8.913 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.127 9.890 7.207 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -19.559 9.145 6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -22.190 8.422 5.653 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.673 8.833 4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.275 6.261 5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -19.635 6.780 5.536 1.00 0.00 H new ATOM 1095 N VAL A 70 -22.488 8.898 9.630 1.00 0.00 N ATOM 1096 CA VAL A 70 -23.740 9.089 10.371 1.00 0.00 C ATOM 1097 C VAL A 70 -24.826 9.646 9.457 1.00 0.00 C ATOM 1098 O VAL A 70 -25.955 9.180 9.499 1.00 0.00 O ATOM 1099 CB VAL A 70 -23.558 10.074 11.555 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -24.879 10.350 12.262 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -22.537 9.547 12.521 1.00 0.00 C ATOM 0 H VAL A 70 -21.708 9.447 9.991 1.00 0.00 H new ATOM 0 HA VAL A 70 -24.030 8.111 10.754 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.200 11.021 11.150 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.713 11.044 13.086 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -25.585 10.787 11.556 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.286 9.416 12.651 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.420 10.249 13.346 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -22.866 8.583 12.909 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.582 9.425 12.010 1.00 0.00 H new ATOM 1111 N ASN A 71 -24.510 10.620 8.654 1.00 0.00 N ATOM 1112 CA ASN A 71 -25.522 11.214 7.766 1.00 0.00 C ATOM 1113 C ASN A 71 -25.508 10.558 6.373 1.00 0.00 C ATOM 1114 O ASN A 71 -26.223 11.008 5.478 1.00 0.00 O ATOM 1115 CB ASN A 71 -25.249 12.697 7.626 1.00 0.00 C ATOM 1116 CG ASN A 71 -25.464 13.427 8.909 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -26.331 13.074 9.692 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -24.656 14.452 9.139 1.00 0.00 N ATOM 0 H ASN A 71 -23.579 11.030 8.580 1.00 0.00 H new ATOM 0 HA ASN A 71 -26.505 11.046 8.207 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -24.223 12.847 7.291 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -25.899 13.115 6.858 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -24.743 14.986 10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -23.947 14.707 8.452 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.713 9.505 6.189 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.668 8.825 4.896 1.00 0.00 C ATOM 1127 C GLY A 72 -23.821 9.611 3.926 1.00 0.00 C ATOM 1128 O GLY A 72 -23.964 9.495 2.708 1.00 0.00 O ATOM 0 H GLY A 72 -24.102 9.110 6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -24.259 7.822 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.677 8.712 4.501 1.00 0.00 H new ATOM 1132 N MET A 73 -22.948 10.404 4.481 1.00 0.00 N ATOM 1133 CA MET A 73 -22.164 11.357 3.742 1.00 0.00 C ATOM 1134 C MET A 73 -20.678 10.921 3.662 1.00 0.00 C ATOM 1135 O MET A 73 -19.866 11.256 4.507 1.00 0.00 O ATOM 1136 CB MET A 73 -22.262 12.645 4.514 1.00 0.00 C ATOM 1137 CG MET A 73 -23.650 13.241 4.592 1.00 0.00 C ATOM 1138 SD MET A 73 -24.315 13.731 3.001 1.00 0.00 S ATOM 1139 CE MET A 73 -23.285 15.149 2.765 1.00 0.00 C ATOM 0 H MET A 73 -22.756 10.407 5.483 1.00 0.00 H new ATOM 0 HA MET A 73 -22.529 11.449 2.719 1.00 0.00 H new ATOM 0 HB2 MET A 73 -21.900 12.472 5.527 1.00 0.00 H new ATOM 0 HB3 MET A 73 -21.594 13.376 4.058 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.322 12.515 5.049 1.00 0.00 H new ATOM 0 HG3 MET A 73 -23.626 14.110 5.249 1.00 0.00 H new ATOM 0 HE1 MET A 73 -23.812 15.884 2.157 1.00 0.00 H new ATOM 0 HE2 MET A 73 -23.041 15.587 3.733 1.00 0.00 H new ATOM 0 HE3 MET A 73 -22.366 14.851 2.259 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.377 10.138 2.642 1.00 0.00 N ATOM 1150 CA VAL A 74 -19.013 9.672 2.370 1.00 0.00 C ATOM 1151 C VAL A 74 -18.778 9.671 0.852 1.00 0.00 C ATOM 1152 O VAL A 74 -19.680 9.372 0.080 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.781 8.231 2.940 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -19.872 7.322 2.474 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -17.413 7.644 2.531 1.00 0.00 C ATOM 0 H VAL A 74 -21.068 9.802 1.972 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.310 10.345 2.861 1.00 0.00 H new ATOM 0 HB VAL A 74 -18.790 8.311 4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -19.707 6.321 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -20.833 7.698 2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -19.873 7.283 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -17.305 6.645 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.352 7.588 1.444 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.615 8.285 2.907 1.00 0.00 H new ATOM 1165 N HIS A 75 -17.592 10.034 0.437 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.208 9.968 -0.971 1.00 0.00 C ATOM 1167 C HIS A 75 -16.086 8.975 -1.118 1.00 0.00 C ATOM 1168 O HIS A 75 -15.290 8.828 -0.203 1.00 0.00 O ATOM 1169 CB HIS A 75 -16.775 11.345 -1.531 1.00 0.00 C ATOM 1170 CG HIS A 75 -17.889 12.364 -1.666 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -17.673 13.692 -1.966 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -19.212 12.219 -1.567 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -18.832 14.319 -2.047 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -19.786 13.442 -1.810 1.00 0.00 N ATOM 0 H HIS A 75 -16.859 10.384 1.054 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.078 9.654 -1.547 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.003 11.758 -0.881 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.320 11.195 -2.510 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -19.737 11.304 -1.337 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -18.973 15.367 -2.269 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -20.787 13.639 -1.807 1.00 0.00 H new ATOM 1182 N VAL A 76 -16.005 8.312 -2.241 1.00 0.00 N ATOM 1183 CA VAL A 76 -14.943 7.357 -2.457 1.00 0.00 C ATOM 1184 C VAL A 76 -14.197 7.768 -3.715 1.00 0.00 C ATOM 1185 O VAL A 76 -14.818 8.073 -4.745 1.00 0.00 O ATOM 1186 CB VAL A 76 -15.531 5.902 -2.618 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -16.663 5.858 -3.650 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -14.450 4.896 -2.938 1.00 0.00 C ATOM 0 H VAL A 76 -16.657 8.412 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.267 7.347 -1.602 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.960 5.622 -1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.041 4.839 -3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.469 6.520 -3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.285 6.184 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.894 3.906 -3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.960 5.173 -3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.716 4.882 -2.133 1.00 0.00 H new ATOM 1198 N ILE A 77 -12.875 7.820 -3.626 1.00 0.00 N ATOM 1199 CA ILE A 77 -12.094 8.249 -4.757 1.00 0.00 C ATOM 1200 C ILE A 77 -11.642 7.022 -5.565 1.00 0.00 C ATOM 1201 O ILE A 77 -12.195 6.719 -6.629 1.00 0.00 O ATOM 1202 CB ILE A 77 -10.830 9.075 -4.289 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -11.276 10.358 -3.520 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -9.962 9.476 -5.495 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -10.132 11.092 -2.839 1.00 0.00 C ATOM 0 H ILE A 77 -12.337 7.574 -2.795 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.713 8.893 -5.381 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.241 8.442 -3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.767 11.037 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -12.017 10.082 -2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.098 10.043 -5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.623 8.579 -6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.549 10.090 -6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.519 11.972 -2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.655 10.431 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.401 11.400 -3.587 1.00 0.00 H new ATOM 1217 N LYS A 78 -10.660 6.309 -5.038 1.00 0.00 N ATOM 1218 CA LYS A 78 -10.080 5.137 -5.706 1.00 0.00 C ATOM 1219 C LYS A 78 -11.033 3.962 -5.897 1.00 0.00 C ATOM 1220 O LYS A 78 -11.052 3.345 -6.955 1.00 0.00 O ATOM 1221 CB LYS A 78 -8.823 4.712 -4.982 1.00 0.00 C ATOM 1222 CG LYS A 78 -7.734 5.769 -5.040 1.00 0.00 C ATOM 1223 CD LYS A 78 -7.246 6.006 -6.441 1.00 0.00 C ATOM 1224 CE LYS A 78 -6.364 7.231 -6.507 1.00 0.00 C ATOM 1225 NZ LYS A 78 -5.131 7.073 -5.711 1.00 0.00 N ATOM 0 H LYS A 78 -10.237 6.520 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.843 5.455 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.062 4.498 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.450 3.786 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.115 6.703 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.897 5.461 -4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.691 5.135 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.097 6.130 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.101 7.432 -7.546 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.919 8.097 -6.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.510 7.893 -5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.375 7.009 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.638 6.205 -6.004 1.00 0.00 H new ATOM 1239 N GLY A 79 -11.827 3.662 -4.886 1.00 0.00 N ATOM 1240 CA GLY A 79 -12.706 2.498 -4.956 1.00 0.00 C ATOM 1241 C GLY A 79 -12.664 1.642 -3.711 1.00 0.00 C ATOM 1242 O GLY A 79 -13.144 0.503 -3.724 1.00 0.00 O ATOM 0 H GLY A 79 -11.886 4.195 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.729 2.834 -5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.425 1.890 -5.816 1.00 0.00 H new ATOM 1246 N ILE A 80 -12.035 2.164 -2.642 1.00 0.00 N ATOM 1247 CA ILE A 80 -11.994 1.482 -1.334 1.00 0.00 C ATOM 1248 C ILE A 80 -10.878 0.412 -1.196 1.00 0.00 C ATOM 1249 O ILE A 80 -11.130 -0.797 -1.348 1.00 0.00 O ATOM 1250 CB ILE A 80 -13.380 0.869 -0.917 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -14.463 1.944 -0.857 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -13.279 0.179 0.415 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -14.168 3.018 0.167 1.00 0.00 C ATOM 0 H ILE A 80 -11.546 3.059 -2.658 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.746 2.286 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.656 0.138 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -14.566 2.404 -1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -15.419 1.477 -0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -14.250 -0.238 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.544 -0.624 0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.970 0.897 1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -14.972 3.754 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.093 2.567 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.227 3.508 -0.081 1.00 0.00 H new ATOM 1265 N GLN A 81 -9.642 0.858 -0.945 1.00 0.00 N ATOM 1266 CA GLN A 81 -8.540 -0.057 -0.635 1.00 0.00 C ATOM 1267 C GLN A 81 -7.359 0.677 0.018 1.00 0.00 C ATOM 1268 O GLN A 81 -7.432 1.881 0.329 1.00 0.00 O ATOM 1269 CB GLN A 81 -7.990 -0.844 -1.835 1.00 0.00 C ATOM 1270 CG GLN A 81 -7.354 -0.005 -2.938 1.00 0.00 C ATOM 1271 CD GLN A 81 -6.616 -0.869 -3.940 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -5.999 -1.947 -3.439 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -6.542 -0.567 -5.134 1.00 0.00 N flip ATOM 0 H GLN A 81 -9.381 1.844 -0.951 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.994 -0.771 0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.249 -1.555 -1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.803 -1.425 -2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.126 0.569 -3.450 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.663 0.713 -2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.025 0.261 -5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.998 -1.146 -5.774 1.00 0.00 H new ATOM 1282 N PHE A 82 -6.267 -0.046 0.202 1.00 0.00 N ATOM 1283 CA PHE A 82 -5.033 0.506 0.707 1.00 0.00 C ATOM 1284 C PHE A 82 -4.473 1.524 -0.269 1.00 0.00 C ATOM 1285 O PHE A 82 -4.384 1.260 -1.479 1.00 0.00 O ATOM 1286 CB PHE A 82 -4.018 -0.603 0.933 1.00 0.00 C ATOM 1287 CG PHE A 82 -2.631 -0.082 1.274 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -2.409 0.679 2.414 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -1.557 -0.371 0.448 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -1.133 1.152 2.705 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -0.299 0.088 0.734 1.00 0.00 C ATOM 1292 CZ PHE A 82 -0.069 0.854 1.855 1.00 0.00 C ATOM 0 H PHE A 82 -6.218 -1.045 0.001 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.237 1.002 1.656 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.366 -1.247 1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.957 -1.220 0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.230 0.905 3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.715 -0.969 -0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.967 1.750 3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.521 -0.153 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.924 1.219 2.073 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.098 2.676 0.252 1.00 0.00 N ATOM 1303 CA GLY A 83 -3.599 3.705 -0.626 1.00 0.00 C ATOM 1304 C GLY A 83 -4.719 4.462 -1.286 1.00 0.00 C ATOM 1305 O GLY A 83 -4.562 5.045 -2.356 1.00 0.00 O ATOM 0 H GLY A 83 -4.128 2.915 1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.976 4.397 -0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.963 3.256 -1.389 1.00 0.00 H new ATOM 1309 N SER A 84 -5.863 4.439 -0.649 1.00 0.00 N ATOM 1310 CA SER A 84 -7.021 5.115 -1.144 1.00 0.00 C ATOM 1311 C SER A 84 -7.585 6.011 -0.079 1.00 0.00 C ATOM 1312 O SER A 84 -7.452 5.746 1.131 1.00 0.00 O ATOM 1313 CB SER A 84 -8.074 4.097 -1.550 1.00 0.00 C ATOM 1314 OG SER A 84 -7.585 3.248 -2.574 1.00 0.00 O ATOM 0 H SER A 84 -6.011 3.946 0.232 1.00 0.00 H new ATOM 0 HA SER A 84 -6.738 5.714 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.363 3.501 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.970 4.612 -1.896 1.00 0.00 H new ATOM 0 HG SER A 84 -8.321 2.708 -2.930 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.239 7.052 -0.528 1.00 0.00 N ATOM 1321 CA GLN A 85 -8.808 8.021 0.351 1.00 0.00 C ATOM 1322 C GLN A 85 -10.267 8.222 0.030 1.00 0.00 C ATOM 1323 O GLN A 85 -10.675 8.225 -1.137 1.00 0.00 O ATOM 1324 CB GLN A 85 -8.035 9.322 0.238 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.492 10.435 1.182 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.558 11.629 1.106 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -7.956 12.755 1.687 1.00 0.00 O flip ATOM 1328 NE2 GLN A 85 -6.430 11.507 0.601 1.00 0.00 N flip ATOM 0 H GLN A 85 -8.388 7.245 -1.518 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.740 7.666 1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.981 9.117 0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.111 9.683 -0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.505 10.744 0.923 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.525 10.059 2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.160 10.626 0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.774 12.288 0.624 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.035 8.334 1.065 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.477 8.510 0.996 1.00 0.00 C ATOM 1339 C ILE A 86 -12.847 9.705 1.830 1.00 0.00 C ATOM 1340 O ILE A 86 -12.044 10.161 2.645 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.196 7.311 1.534 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -12.810 7.124 3.005 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -12.857 6.083 0.690 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.597 6.078 3.703 1.00 0.00 C ATOM 0 H ILE A 86 -10.679 8.306 2.020 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.765 8.647 -0.046 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.275 7.453 1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.752 6.869 3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -12.939 8.072 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.382 5.214 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.164 6.254 -0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -11.782 5.904 0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.266 6.004 4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.655 6.341 3.678 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.449 5.119 3.206 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.044 10.254 1.636 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.395 11.465 2.346 1.00 0.00 C ATOM 1358 C LYS A 87 -15.427 11.234 3.412 1.00 0.00 C ATOM 1359 O LYS A 87 -16.235 10.328 3.316 1.00 0.00 O ATOM 1360 CB LYS A 87 -14.892 12.528 1.457 1.00 0.00 C ATOM 1361 CG LYS A 87 -13.912 12.900 0.407 1.00 0.00 C ATOM 1362 CD LYS A 87 -12.602 13.410 0.930 1.00 0.00 C ATOM 1363 CE LYS A 87 -11.681 13.754 -0.221 1.00 0.00 C ATOM 1364 NZ LYS A 87 -10.359 14.270 0.236 1.00 0.00 N ATOM 0 H LYS A 87 -14.763 9.888 1.011 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.460 11.786 2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.817 12.198 0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.134 13.409 2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.724 12.029 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.356 13.664 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.767 14.291 1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.137 12.656 1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.528 12.867 -0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.160 14.502 -0.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.840 14.663 -0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.504 15.015 0.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.809 13.493 0.655 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.365 12.062 4.400 1.00 0.00 N ATOM 1379 CA TYR A 88 -16.274 12.003 5.549 1.00 0.00 C ATOM 1380 C TYR A 88 -16.976 13.324 5.838 1.00 0.00 C ATOM 1381 O TYR A 88 -16.974 13.785 6.981 1.00 0.00 O ATOM 1382 CB TYR A 88 -15.573 11.467 6.775 1.00 0.00 C ATOM 1383 CG TYR A 88 -15.495 9.958 6.806 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -16.634 9.196 6.543 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -14.301 9.306 7.085 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -16.587 7.818 6.564 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.243 7.921 7.109 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.389 7.187 6.846 1.00 0.00 C ATOM 1389 OH TYR A 88 -15.342 5.809 6.880 1.00 0.00 O ATOM 0 H TYR A 88 -14.681 12.817 4.455 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.063 11.303 5.273 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -14.564 11.877 6.817 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -16.096 11.815 7.666 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -17.566 9.693 6.320 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -13.410 9.883 7.285 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.476 7.238 6.363 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.313 7.418 7.331 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.430 5.518 7.090 1.00 0.00 H new ATOM 1399 N SER A 89 -17.549 13.935 4.828 1.00 0.00 N ATOM 1400 CA SER A 89 -18.260 15.193 5.034 1.00 0.00 C ATOM 1401 C SER A 89 -19.557 14.939 5.805 1.00 0.00 C ATOM 1402 O SER A 89 -20.163 13.916 5.631 1.00 0.00 O ATOM 1403 CB SER A 89 -18.596 15.821 3.682 1.00 0.00 C ATOM 1404 OG SER A 89 -19.263 17.052 3.841 1.00 0.00 O ATOM 0 H SER A 89 -17.543 13.595 3.866 1.00 0.00 H new ATOM 0 HA SER A 89 -17.624 15.869 5.606 1.00 0.00 H new ATOM 0 HB2 SER A 89 -17.680 15.972 3.111 1.00 0.00 H new ATOM 0 HB3 SER A 89 -19.221 15.138 3.107 1.00 0.00 H new ATOM 0 HG SER A 89 -19.464 17.431 2.960 1.00 0.00 H new ATOM 1410 N CYS A 90 -19.930 15.819 6.718 1.00 0.00 N ATOM 1411 CA CYS A 90 -21.265 15.710 7.360 1.00 0.00 C ATOM 1412 C CYS A 90 -22.327 16.460 6.591 1.00 0.00 C ATOM 1413 O CYS A 90 -23.460 15.996 6.430 1.00 0.00 O ATOM 1414 CB CYS A 90 -21.166 16.310 8.726 1.00 0.00 C ATOM 1415 SG CYS A 90 -19.898 15.628 9.819 1.00 0.00 S ATOM 0 H CYS A 90 -19.359 16.602 7.037 1.00 0.00 H new ATOM 0 HA CYS A 90 -21.549 14.658 7.390 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -20.982 17.379 8.616 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -22.133 16.202 9.217 1.00 0.00 H new ATOM 1420 N THR A 91 -21.935 17.625 6.084 1.00 0.00 N ATOM 1421 CA THR A 91 -22.881 18.616 5.594 1.00 0.00 C ATOM 1422 C THR A 91 -22.098 19.784 4.944 1.00 0.00 C ATOM 1423 O THR A 91 -20.901 19.856 5.112 1.00 0.00 O ATOM 1424 CB THR A 91 -23.655 19.134 6.855 1.00 0.00 C ATOM 1425 OG1 THR A 91 -24.611 18.154 7.326 1.00 0.00 O ATOM 1426 CG2 THR A 91 -24.322 20.478 6.679 1.00 0.00 C ATOM 0 H THR A 91 -20.958 17.906 6.002 1.00 0.00 H new ATOM 0 HA THR A 91 -23.562 18.201 4.851 1.00 0.00 H new ATOM 0 HB THR A 91 -22.884 19.283 7.611 1.00 0.00 H new ATOM 0 HG1 THR A 91 -24.553 17.348 6.772 1.00 0.00 H new ATOM 0 HG21 THR A 91 -24.832 20.755 7.602 1.00 0.00 H new ATOM 0 HG22 THR A 91 -23.569 21.230 6.441 1.00 0.00 H new ATOM 0 HG23 THR A 91 -25.047 20.421 5.867 1.00 0.00 H new ATOM 1434 N LYS A 92 -22.721 20.618 4.104 1.00 0.00 N ATOM 1435 CA LYS A 92 -22.001 21.829 3.654 1.00 0.00 C ATOM 1436 C LYS A 92 -21.689 22.764 4.831 1.00 0.00 C ATOM 1437 O LYS A 92 -20.560 23.205 5.011 1.00 0.00 O ATOM 1438 CB LYS A 92 -22.834 22.676 2.738 1.00 0.00 C ATOM 1439 CG LYS A 92 -22.080 23.882 2.254 1.00 0.00 C ATOM 1440 CD LYS A 92 -22.918 24.759 1.397 1.00 0.00 C ATOM 1441 CE LYS A 92 -23.206 24.169 0.009 1.00 0.00 C ATOM 1442 NZ LYS A 92 -23.875 25.162 -0.864 1.00 0.00 N ATOM 0 H LYS A 92 -23.665 20.496 3.736 1.00 0.00 H new ATOM 0 HA LYS A 92 -21.105 21.450 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -23.154 22.080 1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -23.736 22.996 3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -21.719 24.451 3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -21.203 23.559 1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -23.864 24.952 1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -22.419 25.720 1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -22.273 23.844 -0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -23.836 23.285 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -24.058 24.738 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -24.776 25.452 -0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -23.261 25.994 -0.977 1.00 0.00 H new ATOM 1456 N GLY A 93 -22.711 22.994 5.644 1.00 0.00 N ATOM 1457 CA GLY A 93 -22.639 23.973 6.706 1.00 0.00 C ATOM 1458 C GLY A 93 -22.480 23.358 8.067 1.00 0.00 C ATOM 1459 O GLY A 93 -23.387 23.412 8.911 1.00 0.00 O ATOM 0 H GLY A 93 -23.605 22.508 5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -21.801 24.644 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -23.543 24.581 6.693 1.00 0.00 H new ATOM 1463 N TYR A 94 -21.332 22.772 8.289 1.00 0.00 N ATOM 1464 CA TYR A 94 -21.042 22.151 9.583 1.00 0.00 C ATOM 1465 C TYR A 94 -19.520 22.208 9.834 1.00 0.00 C ATOM 1466 O TYR A 94 -18.755 22.497 8.903 1.00 0.00 O ATOM 1467 CB TYR A 94 -21.449 20.677 9.605 1.00 0.00 C ATOM 1468 CG TYR A 94 -20.397 19.798 9.033 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -20.076 19.831 7.699 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -19.644 19.000 9.869 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -19.041 19.079 7.183 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -18.591 18.248 9.371 1.00 0.00 C ATOM 1473 CZ TYR A 94 -18.302 18.291 8.023 1.00 0.00 C ATOM 1474 OH TYR A 94 -17.275 17.528 7.514 1.00 0.00 O ATOM 0 H TYR A 94 -20.579 22.705 7.605 1.00 0.00 H new ATOM 0 HA TYR A 94 -21.604 22.692 10.344 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -21.656 20.374 10.631 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -22.374 20.548 9.042 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -20.649 20.462 7.036 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -19.877 18.961 10.923 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -18.816 19.112 6.127 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -18.001 17.633 10.034 1.00 0.00 H new ATOM 0 HH TYR A 94 -16.528 18.111 7.262 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.094 21.976 11.049 1.00 0.00 N ATOM 1485 CA ARG A 95 -17.667 21.941 11.336 1.00 0.00 C ATOM 1486 C ARG A 95 -17.269 20.478 11.556 1.00 0.00 C ATOM 1487 O ARG A 95 -17.948 19.755 12.257 1.00 0.00 O ATOM 1488 CB ARG A 95 -17.408 22.734 12.600 1.00 0.00 C ATOM 1489 CG ARG A 95 -17.824 24.141 12.438 1.00 0.00 C ATOM 1490 CD ARG A 95 -17.582 25.008 13.671 1.00 0.00 C ATOM 1491 NE ARG A 95 -18.433 24.583 14.758 1.00 0.00 N ATOM 1492 CZ ARG A 95 -19.700 24.979 14.921 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -20.193 25.998 14.209 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -20.444 24.391 15.830 1.00 0.00 N ATOM 0 H ARG A 95 -19.699 21.809 11.853 1.00 0.00 H new ATOM 0 HA ARG A 95 -17.090 22.369 10.516 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -17.950 22.285 13.432 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -16.348 22.691 12.849 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -17.288 24.572 11.593 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -18.885 24.169 12.190 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -16.536 24.941 13.971 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -17.779 26.053 13.433 1.00 0.00 H new ATOM 0 HE ARG A 95 -18.042 23.939 15.446 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -19.601 26.482 13.533 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -21.161 26.292 14.341 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -20.054 23.642 16.402 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -21.412 24.684 15.964 1.00 0.00 H new ATOM 1508 N LEU A 96 -16.184 20.034 10.992 1.00 0.00 N ATOM 1509 CA LEU A 96 -15.740 18.683 11.288 1.00 0.00 C ATOM 1510 C LEU A 96 -14.546 18.761 12.209 1.00 0.00 C ATOM 1511 O LEU A 96 -13.517 19.343 11.874 1.00 0.00 O ATOM 1512 CB LEU A 96 -15.339 17.968 10.020 1.00 0.00 C ATOM 1513 CG LEU A 96 -15.018 16.487 10.149 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -16.201 15.739 10.641 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -14.630 15.946 8.850 1.00 0.00 C ATOM 0 H LEU A 96 -15.599 20.560 10.343 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.554 18.132 11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -16.145 18.081 9.295 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.466 18.472 9.606 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.198 16.378 10.859 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.953 14.681 10.727 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -16.494 16.124 11.618 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -17.027 15.862 9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.402 14.885 8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.449 16.075 8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.749 16.473 8.485 1.00 0.00 H new ATOM 1527 N ILE A 97 -14.704 18.185 13.392 1.00 0.00 N ATOM 1528 CA ILE A 97 -13.649 18.165 14.370 1.00 0.00 C ATOM 1529 C ILE A 97 -12.482 17.307 13.912 1.00 0.00 C ATOM 1530 O ILE A 97 -11.330 17.688 14.030 1.00 0.00 O ATOM 1531 CB ILE A 97 -14.140 17.692 15.741 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -15.361 18.539 16.197 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -13.005 17.756 16.778 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -15.122 20.012 16.295 1.00 0.00 C ATOM 0 H ILE A 97 -15.564 17.724 13.690 1.00 0.00 H new ATOM 0 HA ILE A 97 -13.307 19.195 14.473 1.00 0.00 H new ATOM 0 HB ILE A 97 -14.457 16.652 15.658 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -16.181 18.367 15.500 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -15.689 18.176 17.171 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -13.376 17.416 17.745 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -12.183 17.115 16.458 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -12.651 18.783 16.867 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -16.036 20.508 16.621 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -14.328 20.205 17.016 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -14.827 20.398 15.319 1.00 0.00 H new ATOM 1546 N GLY A 98 -12.815 16.128 13.360 1.00 0.00 N ATOM 1547 CA GLY A 98 -11.784 15.197 12.908 1.00 0.00 C ATOM 1548 C GLY A 98 -11.543 15.210 11.419 1.00 0.00 C ATOM 1549 O GLY A 98 -11.627 16.258 10.756 1.00 0.00 O ATOM 0 H GLY A 98 -13.773 15.807 13.220 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.850 15.433 13.417 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.065 14.188 13.210 1.00 0.00 H new ATOM 1553 N SER A 99 -11.199 14.041 10.881 1.00 0.00 N ATOM 1554 CA SER A 99 -10.802 13.952 9.500 1.00 0.00 C ATOM 1555 C SER A 99 -12.026 14.114 8.540 1.00 0.00 C ATOM 1556 O SER A 99 -13.069 13.515 8.744 1.00 0.00 O ATOM 1557 CB SER A 99 -10.071 12.561 9.294 1.00 0.00 C ATOM 1558 OG SER A 99 -10.962 11.539 9.012 1.00 0.00 O ATOM 0 H SER A 99 -11.191 13.155 11.386 1.00 0.00 H new ATOM 0 HA SER A 99 -10.120 14.766 9.254 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.351 12.648 8.480 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.508 12.312 10.193 1.00 0.00 H new ATOM 0 HG SER A 99 -10.870 11.275 8.073 1.00 0.00 H new ATOM 1564 N SER A 100 -11.824 14.899 7.471 1.00 0.00 N ATOM 1565 CA SER A 100 -12.826 15.129 6.416 1.00 0.00 C ATOM 1566 C SER A 100 -12.727 14.074 5.356 1.00 0.00 C ATOM 1567 O SER A 100 -13.510 14.031 4.394 1.00 0.00 O ATOM 1568 CB SER A 100 -12.737 16.566 5.844 1.00 0.00 C ATOM 1569 OG SER A 100 -11.482 16.805 5.236 1.00 0.00 O ATOM 0 H SER A 100 -10.949 15.399 7.312 1.00 0.00 H new ATOM 0 HA SER A 100 -13.818 15.046 6.861 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.531 16.718 5.113 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.898 17.288 6.644 1.00 0.00 H new ATOM 0 HG SER A 100 -11.458 17.719 4.884 1.00 0.00 H new ATOM 1575 N SER A 101 -11.734 13.268 5.505 1.00 0.00 N ATOM 1576 CA SER A 101 -11.493 12.173 4.651 1.00 0.00 C ATOM 1577 C SER A 101 -10.723 11.122 5.452 1.00 0.00 C ATOM 1578 O SER A 101 -10.084 11.457 6.444 1.00 0.00 O ATOM 1579 CB SER A 101 -10.665 12.654 3.461 1.00 0.00 C ATOM 1580 OG SER A 101 -9.505 13.352 3.863 1.00 0.00 O ATOM 0 H SER A 101 -11.047 13.362 6.253 1.00 0.00 H new ATOM 0 HA SER A 101 -12.423 11.743 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.378 11.798 2.851 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.277 13.302 2.833 1.00 0.00 H new ATOM 0 HG SER A 101 -8.814 13.262 3.174 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.757 9.908 5.014 1.00 0.00 N ATOM 1587 CA ALA A 102 -10.039 8.855 5.683 1.00 0.00 C ATOM 1588 C ALA A 102 -9.102 8.219 4.709 1.00 0.00 C ATOM 1589 O ALA A 102 -9.405 8.111 3.513 1.00 0.00 O ATOM 1590 CB ALA A 102 -10.989 7.832 6.231 1.00 0.00 C ATOM 0 H ALA A 102 -11.277 9.611 4.189 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.478 9.273 6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.426 7.045 6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.663 8.307 6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.569 7.400 5.415 1.00 0.00 H new ATOM 1596 N THR A 103 -7.987 7.810 5.188 1.00 0.00 N ATOM 1597 CA THR A 103 -6.965 7.265 4.369 1.00 0.00 C ATOM 1598 C THR A 103 -6.681 5.840 4.864 1.00 0.00 C ATOM 1599 O THR A 103 -6.517 5.617 6.050 1.00 0.00 O ATOM 1600 CB THR A 103 -5.719 8.145 4.486 1.00 0.00 C ATOM 1601 OG1 THR A 103 -6.102 9.490 4.165 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.657 7.714 3.494 1.00 0.00 C ATOM 0 H THR A 103 -7.752 7.844 6.180 1.00 0.00 H new ATOM 0 HA THR A 103 -7.264 7.232 3.321 1.00 0.00 H new ATOM 0 HB THR A 103 -5.316 8.063 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.321 10.078 4.234 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.781 8.355 3.597 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.375 6.680 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.050 7.797 2.481 1.00 0.00 H new ATOM 1610 N CYS A 104 -6.651 4.893 3.949 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.424 3.522 4.319 1.00 0.00 C ATOM 1612 C CYS A 104 -4.950 3.170 4.444 1.00 0.00 C ATOM 1613 O CYS A 104 -4.126 3.451 3.569 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.110 2.586 3.345 1.00 0.00 C ATOM 1615 SG CYS A 104 -8.598 1.772 3.996 1.00 0.00 S ATOM 0 H CYS A 104 -6.781 5.052 2.950 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.859 3.396 5.311 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -7.381 3.148 2.451 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.399 1.820 3.036 1.00 0.00 H new ATOM 1620 N ILE A 105 -4.665 2.562 5.579 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.358 2.100 5.968 1.00 0.00 C ATOM 1622 C ILE A 105 -3.432 0.644 6.415 1.00 0.00 C ATOM 1623 O ILE A 105 -4.516 0.141 6.693 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.642 3.007 7.023 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.439 3.090 8.334 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.349 4.392 6.448 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.517 4.150 8.319 1.00 0.00 C ATOM 0 H ILE A 105 -5.376 2.370 6.285 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.725 2.169 5.083 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.686 2.543 7.264 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.896 2.121 8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.752 3.294 9.155 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.851 5.001 7.202 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.702 4.295 5.576 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.284 4.870 6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.039 4.152 9.276 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.064 5.127 8.151 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.226 3.936 7.520 1.00 0.00 H new ATOM 1639 N ILE A 106 -2.305 -0.018 6.503 1.00 0.00 N ATOM 1640 CA ILE A 106 -2.283 -1.459 6.750 1.00 0.00 C ATOM 1641 C ILE A 106 -2.025 -1.787 8.222 1.00 0.00 C ATOM 1642 O ILE A 106 -1.098 -1.254 8.826 1.00 0.00 O ATOM 1643 CB ILE A 106 -1.134 -2.087 5.974 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -1.261 -1.755 4.524 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -1.080 -3.594 6.171 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -2.507 -2.239 3.902 1.00 0.00 C ATOM 0 H ILE A 106 -1.383 0.409 6.409 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.257 -1.843 6.446 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.201 -1.674 6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.204 -0.673 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.412 -2.180 3.989 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.247 -4.006 5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.942 -3.818 7.229 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.012 -4.040 5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.521 -1.957 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.559 -3.324 3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.363 -1.794 4.409 1.00 0.00 H new ATOM 1658 N SER A 107 -2.907 -2.612 8.805 1.00 0.00 N ATOM 1659 CA SER A 107 -2.749 -3.079 10.174 1.00 0.00 C ATOM 1660 C SER A 107 -1.859 -4.303 10.196 1.00 0.00 C ATOM 1661 O SER A 107 -1.391 -4.740 11.246 1.00 0.00 O ATOM 1662 CB SER A 107 -4.132 -3.409 10.748 1.00 0.00 C ATOM 1663 OG SER A 107 -4.777 -4.441 10.020 1.00 0.00 O ATOM 0 H SER A 107 -3.741 -2.967 8.338 1.00 0.00 H new ATOM 0 HA SER A 107 -2.283 -2.304 10.783 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.029 -3.710 11.790 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.753 -2.513 10.735 1.00 0.00 H new ATOM 0 HG SER A 107 -5.101 -5.126 10.641 1.00 0.00 H new ATOM 1669 N GLY A 108 -1.626 -4.836 9.019 1.00 0.00 N ATOM 1670 CA GLY A 108 -0.816 -6.007 8.837 1.00 0.00 C ATOM 1671 C GLY A 108 -1.576 -7.056 8.071 1.00 0.00 C ATOM 1672 O GLY A 108 -1.368 -7.223 6.889 1.00 0.00 O ATOM 0 H GLY A 108 -2.003 -4.458 8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.097 -5.746 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.514 -6.403 9.807 1.00 0.00 H new ATOM 1676 N ASP A 109 -2.465 -7.754 8.773 1.00 0.00 N ATOM 1677 CA ASP A 109 -3.363 -8.742 8.153 1.00 0.00 C ATOM 1678 C ASP A 109 -4.326 -8.098 7.173 1.00 0.00 C ATOM 1679 O ASP A 109 -4.651 -8.678 6.144 1.00 0.00 O ATOM 1680 CB ASP A 109 -4.167 -9.496 9.214 1.00 0.00 C ATOM 1681 CG ASP A 109 -3.409 -10.673 9.783 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -2.450 -11.138 9.142 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -3.772 -11.145 10.880 1.00 0.00 O ATOM 0 H ASP A 109 -2.588 -7.657 9.781 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.726 -9.440 7.610 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.430 -8.812 10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.102 -9.847 8.776 1.00 0.00 H new ATOM 1688 N THR A 110 -4.780 -6.911 7.503 1.00 0.00 N ATOM 1689 CA THR A 110 -5.803 -6.253 6.742 1.00 0.00 C ATOM 1690 C THR A 110 -5.516 -4.764 6.598 1.00 0.00 C ATOM 1691 O THR A 110 -4.433 -4.282 6.935 1.00 0.00 O ATOM 1692 CB THR A 110 -7.209 -6.490 7.386 1.00 0.00 C ATOM 1693 OG1 THR A 110 -8.243 -6.030 6.500 1.00 0.00 O ATOM 1694 CG2 THR A 110 -7.331 -5.760 8.706 1.00 0.00 C ATOM 0 H THR A 110 -4.447 -6.379 8.307 1.00 0.00 H new ATOM 0 HA THR A 110 -5.806 -6.687 5.742 1.00 0.00 H new ATOM 0 HB THR A 110 -7.320 -7.560 7.561 1.00 0.00 H new ATOM 0 HG1 THR A 110 -9.119 -6.184 6.911 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.318 -5.941 9.132 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.566 -6.121 9.394 1.00 0.00 H new ATOM 0 HG23 THR A 110 -7.197 -4.690 8.544 1.00 0.00 H new ATOM 1702 N VAL A 111 -6.479 -4.060 6.065 1.00 0.00 N ATOM 1703 CA VAL A 111 -6.368 -2.650 5.770 1.00 0.00 C ATOM 1704 C VAL A 111 -7.405 -1.861 6.590 1.00 0.00 C ATOM 1705 O VAL A 111 -8.582 -2.248 6.676 1.00 0.00 O ATOM 1706 CB VAL A 111 -6.627 -2.391 4.268 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -5.581 -3.059 3.427 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -7.974 -2.921 3.882 1.00 0.00 C ATOM 0 H VAL A 111 -7.385 -4.457 5.817 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.360 -2.325 6.028 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.589 -1.315 4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.782 -2.864 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.599 -2.665 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.601 -4.134 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.148 -2.734 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.011 -3.994 4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.744 -2.421 4.470 1.00 0.00 H new ATOM 1718 N ILE A 112 -6.976 -0.802 7.244 1.00 0.00 N ATOM 1719 CA ILE A 112 -7.856 0.010 8.058 1.00 0.00 C ATOM 1720 C ILE A 112 -7.753 1.516 7.726 1.00 0.00 C ATOM 1721 O ILE A 112 -6.783 1.966 7.119 1.00 0.00 O ATOM 1722 CB ILE A 112 -7.663 -0.213 9.570 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -6.243 0.148 9.966 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -8.007 -1.655 9.943 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -6.165 1.204 11.047 1.00 0.00 C ATOM 0 H ILE A 112 -6.008 -0.480 7.226 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.860 -0.328 7.801 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.342 0.437 10.122 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.731 -0.751 10.310 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -5.708 0.502 9.085 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.866 -1.797 11.014 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.046 -1.860 9.684 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.355 -2.337 9.397 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.120 1.411 11.279 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.647 2.117 10.699 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.671 0.845 11.943 1.00 0.00 H new ATOM 1737 N TRP A 113 -8.752 2.282 8.149 1.00 0.00 N ATOM 1738 CA TRP A 113 -8.832 3.720 7.845 1.00 0.00 C ATOM 1739 C TRP A 113 -8.215 4.542 8.995 1.00 0.00 C ATOM 1740 O TRP A 113 -8.278 4.130 10.167 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.302 4.115 7.676 1.00 0.00 C ATOM 1742 CG TRP A 113 -10.960 3.480 6.495 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -11.832 2.432 6.536 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -10.807 3.816 5.094 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -12.251 2.115 5.279 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.642 2.940 4.375 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.050 4.764 4.381 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.750 2.989 2.996 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.149 4.805 3.004 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -10.993 3.923 2.331 1.00 0.00 C ATOM 0 H TRP A 113 -9.529 1.933 8.710 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.281 3.923 6.927 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.849 3.840 8.578 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.370 5.199 7.580 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.146 1.926 7.437 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.916 1.377 5.048 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.400 5.450 4.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.406 2.317 2.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.569 5.525 2.445 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -11.054 3.975 1.254 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.589 5.685 8.660 1.00 0.00 N ATOM 1762 CA ASP A 114 -6.854 6.500 9.672 1.00 0.00 C ATOM 1763 C ASP A 114 -7.770 7.471 10.391 1.00 0.00 C ATOM 1764 O ASP A 114 -7.329 8.183 11.286 1.00 0.00 O ATOM 1765 CB ASP A 114 -5.767 7.347 9.021 1.00 0.00 C ATOM 1766 CG ASP A 114 -6.278 8.277 7.932 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -7.477 8.215 7.598 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -5.487 9.091 7.412 1.00 0.00 O ATOM 0 H ASP A 114 -7.571 6.069 7.715 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.429 5.779 10.371 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -5.274 7.941 9.790 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.012 6.686 8.596 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.023 7.492 10.012 1.00 0.00 N ATOM 1774 CA GLN A 115 -9.991 8.326 10.679 1.00 0.00 C ATOM 1775 C GLN A 115 -10.091 7.945 12.144 1.00 0.00 C ATOM 1776 O GLN A 115 -10.257 6.765 12.493 1.00 0.00 O ATOM 1777 CB GLN A 115 -11.353 8.130 10.010 1.00 0.00 C ATOM 1778 CG GLN A 115 -12.534 8.642 10.819 1.00 0.00 C ATOM 1779 CD GLN A 115 -12.753 10.138 10.799 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -12.203 10.826 11.760 1.00 0.00 O flip ATOM 1781 NE2 GLN A 115 -13.309 10.664 9.843 1.00 0.00 N flip ATOM 0 H GLN A 115 -9.398 6.939 9.242 1.00 0.00 H new ATOM 0 HA GLN A 115 -9.681 9.369 10.607 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.345 8.635 9.044 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -11.497 7.068 9.813 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.438 8.158 10.451 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.403 8.328 11.854 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -13.726 10.085 9.114 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -13.355 11.681 9.776 1.00 0.00 H new ATOM 1790 N GLU A 116 -10.019 8.961 13.014 1.00 0.00 N ATOM 1791 CA GLU A 116 -10.060 8.732 14.474 1.00 0.00 C ATOM 1792 C GLU A 116 -11.415 8.138 14.881 1.00 0.00 C ATOM 1793 O GLU A 116 -11.500 7.235 15.705 1.00 0.00 O ATOM 1794 CB GLU A 116 -9.866 10.055 15.238 1.00 0.00 C ATOM 1795 CG GLU A 116 -8.491 10.713 15.119 1.00 0.00 C ATOM 1796 CD GLU A 116 -8.311 11.530 13.851 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -9.226 11.522 12.990 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -7.256 12.211 13.729 1.00 0.00 O ATOM 0 H GLU A 116 -9.933 9.940 12.742 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.255 8.040 14.724 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.616 10.765 14.888 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.067 9.873 16.294 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.332 11.359 15.982 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.724 9.939 15.154 1.00 0.00 H new ATOM 1805 N THR A 117 -12.439 8.661 14.276 1.00 0.00 N ATOM 1806 CA THR A 117 -13.793 8.255 14.465 1.00 0.00 C ATOM 1807 C THR A 117 -14.629 9.282 13.743 1.00 0.00 C ATOM 1808 O THR A 117 -14.245 10.434 13.727 1.00 0.00 O ATOM 1809 CB THR A 117 -14.181 8.224 15.989 1.00 0.00 C ATOM 1810 OG1 THR A 117 -15.531 7.754 16.158 1.00 0.00 O ATOM 1811 CG2 THR A 117 -14.022 9.597 16.637 1.00 0.00 C ATOM 0 H THR A 117 -12.344 9.422 13.603 1.00 0.00 H new ATOM 0 HA THR A 117 -13.951 7.246 14.084 1.00 0.00 H new ATOM 0 HB THR A 117 -13.498 7.535 16.486 1.00 0.00 H new ATOM 0 HG1 THR A 117 -15.755 7.739 17.112 1.00 0.00 H new ATOM 0 HG21 THR A 117 -14.299 9.537 17.689 1.00 0.00 H new ATOM 0 HG22 THR A 117 -12.985 9.921 16.553 1.00 0.00 H new ATOM 0 HG23 THR A 117 -14.669 10.315 16.132 1.00 0.00 H new ATOM 1819 N PRO A 118 -15.731 8.912 13.056 1.00 0.00 N ATOM 1820 CA PRO A 118 -16.519 9.936 12.388 1.00 0.00 C ATOM 1821 C PRO A 118 -17.074 10.949 13.395 1.00 0.00 C ATOM 1822 O PRO A 118 -17.503 10.579 14.484 1.00 0.00 O ATOM 1823 CB PRO A 118 -17.619 9.116 11.692 1.00 0.00 C ATOM 1824 CG PRO A 118 -17.648 7.809 12.413 1.00 0.00 C ATOM 1825 CD PRO A 118 -16.252 7.553 12.869 1.00 0.00 C ATOM 0 HA PRO A 118 -15.952 10.546 11.685 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -18.584 9.620 11.752 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.397 8.977 10.634 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -18.333 7.847 13.260 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -17.996 7.011 11.757 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -16.225 6.976 13.794 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -15.678 6.995 12.129 1.00 0.00 H new ATOM 1833 N ILE A 119 -17.080 12.213 13.005 1.00 0.00 N ATOM 1834 CA ILE A 119 -17.401 13.309 13.894 1.00 0.00 C ATOM 1835 C ILE A 119 -18.275 14.323 13.162 1.00 0.00 C ATOM 1836 O ILE A 119 -18.138 14.449 12.007 1.00 0.00 O ATOM 1837 CB ILE A 119 -16.126 14.037 14.326 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -15.183 13.093 15.051 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -16.505 15.190 15.267 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -13.749 13.297 14.726 1.00 0.00 C ATOM 0 H ILE A 119 -16.860 12.506 12.053 1.00 0.00 H new ATOM 0 HA ILE A 119 -17.917 12.899 14.762 1.00 0.00 H new ATOM 0 HB ILE A 119 -15.622 14.418 13.438 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -15.321 13.214 16.125 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -15.457 12.066 14.808 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -15.603 15.715 15.581 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -17.166 15.883 14.746 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -17.016 14.791 16.143 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -13.144 12.583 15.285 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.593 13.146 13.658 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.455 14.311 14.996 1.00 0.00 H new ATOM 1852 N CYS A 120 -19.232 14.943 13.818 1.00 0.00 N ATOM 1853 CA CYS A 120 -19.921 16.076 13.188 1.00 0.00 C ATOM 1854 C CYS A 120 -20.182 17.178 14.222 1.00 0.00 C ATOM 1855 O CYS A 120 -20.944 16.954 15.175 1.00 0.00 O ATOM 1856 CB CYS A 120 -21.210 15.600 12.467 1.00 0.00 C ATOM 1857 SG CYS A 120 -20.862 14.393 11.089 1.00 0.00 S ATOM 0 H CYS A 120 -19.551 14.702 14.756 1.00 0.00 H new ATOM 0 HA CYS A 120 -19.281 16.509 12.419 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -21.876 15.134 13.193 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -21.735 16.465 12.062 1.00 0.00 H new ATOM 1862 N ASP A 121 -19.498 18.374 14.094 1.00 0.00 N ATOM 1863 CA ASP A 121 -19.649 19.416 15.154 1.00 0.00 C ATOM 1864 C ASP A 121 -21.059 19.932 15.229 1.00 0.00 C ATOM 1865 O ASP A 121 -21.641 20.009 16.303 1.00 0.00 O ATOM 1866 CB ASP A 121 -18.717 20.600 14.938 1.00 0.00 C ATOM 1867 CG ASP A 121 -18.627 21.489 16.179 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -19.248 21.151 17.204 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -17.942 22.520 16.132 1.00 0.00 O ATOM 0 H ASP A 121 -18.881 18.619 13.320 1.00 0.00 H new ATOM 0 HA ASP A 121 -19.387 18.922 16.089 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -17.723 20.237 14.679 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -19.071 21.191 14.093 1.00 0.00 H new ATOM 1874 N ARG A 122 -21.633 20.197 14.044 1.00 0.00 N ATOM 1875 CA ARG A 122 -22.992 20.740 13.906 1.00 0.00 C ATOM 1876 C ARG A 122 -23.387 21.662 15.094 1.00 0.00 C ATOM 1877 O ARG A 122 -22.728 22.725 15.249 1.00 0.00 O ATOM 1878 CB ARG A 122 -23.993 19.592 13.742 1.00 0.00 C ATOM 1879 CG ARG A 122 -25.458 20.019 13.765 1.00 0.00 C ATOM 1880 CD ARG A 122 -26.399 18.829 13.594 1.00 0.00 C ATOM 1881 NE ARG A 122 -26.297 18.191 12.277 1.00 0.00 N ATOM 1882 CZ ARG A 122 -26.953 18.623 11.181 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -27.692 19.739 11.238 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -26.883 17.945 10.046 1.00 0.00 N ATOM 0 H ARG A 122 -21.164 20.040 13.152 1.00 0.00 H new ATOM 0 HA ARG A 122 -23.012 21.365 13.013 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -23.791 19.083 12.799 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -23.827 18.866 14.538 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -25.675 20.521 14.708 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -25.638 20.742 12.969 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -26.182 18.090 14.365 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -27.425 19.161 13.750 1.00 0.00 H new ATOM 0 HE ARG A 122 -25.695 17.373 12.185 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -27.759 20.262 12.111 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -28.188 20.065 10.409 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -26.330 17.089 9.996 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -27.382 18.278 9.221 1.00 0.00 H new TER 1898 ARG A 122