USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 967 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 116 SER OG : rot -177:sc= 1.21 USER MOD Set 1.2: A 118 ASN : amide:sc= -0.181! K(o=1!,f=-0.049) USER MOD Set 2.1: A 96 THR OG1 : rot -94:sc= 1.19 USER MOD Set 2.2: A 98 ASN : amide:sc= 1.1 K(o=2.3,f=-3.7!) USER MOD Set 3.1: A 45 GLN :FLIP amide:sc= 0.67 F(o=-2.4!,f=1.7) USER MOD Set 3.2: A 83 SER OG : rot 118:sc= 1.02 USER MOD Set 4.1: A 71 THR OG1 : rot -80:sc= 0.787 USER MOD Set 4.2: A 78 LYS NZ :NH3+ 173:sc= 1.1 (180deg=0.16) USER MOD Set 5.1: A 22 GLN :FLIP amide:sc= -1.16 F(o=-1.7,f=-1.2) USER MOD Set 5.2: A 62 ASN : amide:sc= -0.011 X(o=-1.2,f=-1.7) USER MOD Set 6.1: A 19 HIS : no HD1:sc= 0 X(o=0.034,f=0.18) USER MOD Set 6.2: A 21 SER OG : rot 165:sc= 0.0342 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 41:sc= 0.073 USER MOD Single : A 13 HIS : no HE2:sc= 1.11 K(o=1.1,f=-4.9!) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= 2.26 (180deg=1.11!) USER MOD Single : A 24 SER OG : rot 160:sc=-0.00107 USER MOD Single : A 25 ASN :FLIP amide:sc= 0.709 F(o=-0.92,f=0.71) USER MOD Single : A 26 THR OG1 : rot -73:sc= 0.375 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -90:sc= -0.0253 USER MOD Single : A 42 MET CE :methyl -144:sc= -3.01! (180deg=-4.32!) USER MOD Single : A 47 GLN : amide:sc= 0.0801 X(o=0.08,f=0) USER MOD Single : A 56 SER OG : rot 18:sc= 0.593 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -155:sc= 0.191 USER MOD Single : A 70 TYR OH : rot -108:sc= 2.13 USER MOD Single : A 75 MET CE :methyl -157:sc= -0.176 (180deg=-0.778) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= -1.93! C(o=-1.9!,f=-11!) USER MOD Single : A 84 THR OG1 : rot -170:sc= -0.164 USER MOD Single : A 86 ASN : amide:sc= -0.369 K(o=-0.37,f=-9.3!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0644 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 107:sc= 0.577 USER MOD Single : A 100 SER OG : rot 180:sc= -0.377 USER MOD Single : A 105 SER OG : rot -41:sc= 0.524 USER MOD Single : A 108 LYS NZ :NH3+ -176:sc= 1.31 (180deg=1.22) USER MOD Single : A 110 THR OG1 : rot 140:sc= -0.227 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN :FLIP amide:sc= -0.958 F(o=-2.7!,f=-0.96) USER MOD Single : A 123 GLN : amide:sc= -2.03 K(o=-2,f=-3.1!) USER MOD Single : A 124 LYS NZ :NH3+ -156:sc= 0.185 (180deg=0.0305) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HE2:sc= 1.13 K(o=1.1,f=-5.1!) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.203 USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 16.017 -10.909 -3.112 1.00 0.00 N ATOM 47 CA LEU A 4 16.823 -10.800 -4.310 1.00 0.00 C ATOM 48 C LEU A 4 17.929 -9.798 -4.055 1.00 0.00 C ATOM 49 O LEU A 4 18.974 -10.162 -3.502 1.00 0.00 O ATOM 50 CB LEU A 4 15.994 -10.429 -5.591 1.00 0.00 C ATOM 51 CG LEU A 4 15.103 -11.532 -6.227 1.00 0.00 C ATOM 52 CD1 LEU A 4 14.064 -12.043 -5.262 1.00 0.00 C ATOM 53 CD2 LEU A 4 14.411 -11.007 -7.466 1.00 0.00 C ATOM 0 HA LEU A 4 17.245 -11.782 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 4 15.352 -9.584 -5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 4 16.693 -10.084 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 4 15.763 -12.358 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 4 13.463 -12.812 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.557 -12.466 -4.387 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.419 -11.221 -4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.792 -11.793 -7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.784 -10.156 -7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 4 15.158 -10.693 -8.195 1.00 0.00 H new ATOM 65 N GLU A 5 17.679 -8.534 -4.376 1.00 0.00 N ATOM 66 CA GLU A 5 18.625 -7.444 -4.132 1.00 0.00 C ATOM 67 C GLU A 5 17.859 -6.158 -4.020 1.00 0.00 C ATOM 68 O GLU A 5 16.822 -6.002 -4.662 1.00 0.00 O ATOM 69 CB GLU A 5 19.667 -7.272 -5.258 1.00 0.00 C ATOM 70 CG GLU A 5 20.579 -8.453 -5.526 1.00 0.00 C ATOM 71 CD GLU A 5 21.660 -8.110 -6.502 1.00 0.00 C ATOM 72 OE1 GLU A 5 21.422 -8.180 -7.737 1.00 0.00 O ATOM 73 OE2 GLU A 5 22.763 -7.743 -6.064 1.00 0.00 O ATOM 0 H GLU A 5 16.810 -8.231 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 5 19.162 -7.693 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 5 19.136 -7.036 -6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.289 -6.409 -5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.027 -8.786 -4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.991 -9.286 -5.912 1.00 0.00 H new ATOM 80 N CYS A 6 18.352 -5.264 -3.218 1.00 0.00 N ATOM 81 CA CYS A 6 17.772 -3.965 -3.059 1.00 0.00 C ATOM 82 C CYS A 6 18.891 -2.946 -3.099 1.00 0.00 C ATOM 83 O CYS A 6 20.018 -3.268 -2.698 1.00 0.00 O ATOM 84 CB CYS A 6 17.104 -3.864 -1.700 1.00 0.00 C ATOM 85 SG CYS A 6 15.879 -5.158 -1.346 1.00 0.00 S ATOM 0 H CYS A 6 19.182 -5.419 -2.646 1.00 0.00 H new ATOM 0 HA CYS A 6 17.040 -3.790 -3.847 1.00 0.00 H new ATOM 0 HB2 CYS A 6 17.875 -3.895 -0.930 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.616 -2.892 -1.624 1.00 0.00 H new ATOM 90 N PRO A 7 18.644 -1.732 -3.624 1.00 0.00 N ATOM 91 CA PRO A 7 19.627 -0.643 -3.569 1.00 0.00 C ATOM 92 C PRO A 7 19.899 -0.252 -2.104 1.00 0.00 C ATOM 93 O PRO A 7 19.054 -0.501 -1.223 1.00 0.00 O ATOM 94 CB PRO A 7 18.926 0.506 -4.310 1.00 0.00 C ATOM 95 CG PRO A 7 17.888 -0.153 -5.137 1.00 0.00 C ATOM 96 CD PRO A 7 17.429 -1.330 -4.345 1.00 0.00 C ATOM 0 HA PRO A 7 20.590 -0.907 -4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 7 18.483 1.215 -3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.629 1.065 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 7 17.061 0.527 -5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 7 18.293 -0.463 -6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 7 16.622 -1.067 -3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.057 -2.129 -4.987 1.00 0.00 H new ATOM 104 N GLN A 8 21.036 0.387 -1.856 1.00 0.00 N ATOM 105 CA GLN A 8 21.487 0.727 -0.493 1.00 0.00 C ATOM 106 C GLN A 8 20.476 1.601 0.274 1.00 0.00 C ATOM 107 O GLN A 8 20.359 1.500 1.496 1.00 0.00 O ATOM 108 CB GLN A 8 22.861 1.428 -0.518 1.00 0.00 C ATOM 109 CG GLN A 8 22.867 2.772 -1.234 1.00 0.00 C ATOM 110 CD GLN A 8 24.196 3.480 -1.160 1.00 0.00 C ATOM 111 OE1 GLN A 8 25.054 3.311 -2.028 1.00 0.00 O ATOM 112 NE2 GLN A 8 24.378 4.291 -0.152 1.00 0.00 N ATOM 0 H GLN A 8 21.679 0.689 -2.588 1.00 0.00 H new ATOM 0 HA GLN A 8 21.572 -0.222 0.037 1.00 0.00 H new ATOM 0 HB2 GLN A 8 23.199 1.575 0.508 1.00 0.00 H new ATOM 0 HB3 GLN A 8 23.583 0.769 -1.001 1.00 0.00 H new ATOM 0 HG2 GLN A 8 22.602 2.620 -2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 8 22.098 3.411 -0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 8 23.646 4.406 0.548 1.00 0.00 H new ATOM 0 HE22 GLN A 8 25.253 4.809 -0.065 1.00 0.00 H new ATOM 121 N ASP A 9 19.738 2.428 -0.446 1.00 0.00 N ATOM 122 CA ASP A 9 18.784 3.362 0.175 1.00 0.00 C ATOM 123 C ASP A 9 17.444 2.711 0.418 1.00 0.00 C ATOM 124 O ASP A 9 16.559 3.302 1.030 1.00 0.00 O ATOM 125 CB ASP A 9 18.588 4.626 -0.680 1.00 0.00 C ATOM 126 CG ASP A 9 19.829 5.475 -0.788 1.00 0.00 C ATOM 127 OD1 ASP A 9 20.630 5.263 -1.716 1.00 0.00 O ATOM 128 OD2 ASP A 9 20.028 6.377 0.053 1.00 0.00 O ATOM 0 H ASP A 9 19.773 2.480 -1.464 1.00 0.00 H new ATOM 0 HA ASP A 9 19.215 3.649 1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.269 4.333 -1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 9 17.784 5.224 -0.252 1.00 0.00 H new ATOM 133 N TRP A 10 17.287 1.500 -0.051 1.00 0.00 N ATOM 134 CA TRP A 10 16.041 0.799 0.100 1.00 0.00 C ATOM 135 C TRP A 10 16.095 -0.145 1.253 1.00 0.00 C ATOM 136 O TRP A 10 17.071 -0.878 1.438 1.00 0.00 O ATOM 137 CB TRP A 10 15.632 0.091 -1.182 1.00 0.00 C ATOM 138 CG TRP A 10 15.177 1.038 -2.240 1.00 0.00 C ATOM 139 CD1 TRP A 10 15.935 1.938 -2.910 1.00 0.00 C ATOM 140 CD2 TRP A 10 13.851 1.181 -2.743 1.00 0.00 C ATOM 141 NE1 TRP A 10 15.172 2.626 -3.798 1.00 0.00 N ATOM 142 CE2 TRP A 10 13.885 2.185 -3.717 1.00 0.00 C ATOM 143 CE3 TRP A 10 12.641 0.554 -2.466 1.00 0.00 C ATOM 144 CZ2 TRP A 10 12.753 2.582 -4.411 1.00 0.00 C ATOM 145 CZ3 TRP A 10 11.522 0.950 -3.157 1.00 0.00 C ATOM 146 CH2 TRP A 10 11.588 1.954 -4.119 1.00 0.00 C ATOM 0 H TRP A 10 18.012 0.978 -0.543 1.00 0.00 H new ATOM 0 HA TRP A 10 15.271 1.541 0.312 1.00 0.00 H new ATOM 0 HB2 TRP A 10 16.475 -0.489 -1.557 1.00 0.00 H new ATOM 0 HB3 TRP A 10 14.831 -0.615 -0.963 1.00 0.00 H new ATOM 0 HD1 TRP A 10 16.994 2.087 -2.760 1.00 0.00 H new ATOM 0 HE1 TRP A 10 15.508 3.356 -4.426 1.00 0.00 H new ATOM 0 HE3 TRP A 10 12.582 -0.228 -1.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 12.798 3.362 -5.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.575 0.474 -2.950 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.689 2.239 -4.645 1.00 0.00 H new ATOM 157 N LEU A 11 15.060 -0.120 2.034 1.00 0.00 N ATOM 158 CA LEU A 11 14.985 -0.914 3.233 1.00 0.00 C ATOM 159 C LEU A 11 14.527 -2.282 2.895 1.00 0.00 C ATOM 160 O LEU A 11 13.351 -2.524 2.677 1.00 0.00 O ATOM 161 CB LEU A 11 14.059 -0.283 4.276 1.00 0.00 C ATOM 162 CG LEU A 11 14.515 1.001 5.011 1.00 0.00 C ATOM 163 CD1 LEU A 11 15.025 2.063 4.058 1.00 0.00 C ATOM 164 CD2 LEU A 11 13.348 1.552 5.804 1.00 0.00 C ATOM 0 H LEU A 11 14.235 0.454 1.861 1.00 0.00 H new ATOM 0 HA LEU A 11 15.982 -0.961 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.113 -0.061 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.854 -1.040 5.033 1.00 0.00 H new ATOM 0 HG LEU A 11 15.342 0.734 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.332 2.943 4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 11 15.878 1.674 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.233 2.338 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.658 2.457 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.527 1.787 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.018 0.809 6.530 1.00 0.00 H new ATOM 176 N SER A 12 15.452 -3.135 2.799 1.00 0.00 N ATOM 177 CA SER A 12 15.202 -4.485 2.456 1.00 0.00 C ATOM 178 C SER A 12 14.597 -5.266 3.631 1.00 0.00 C ATOM 179 O SER A 12 15.185 -5.368 4.712 1.00 0.00 O ATOM 180 CB SER A 12 16.495 -5.083 1.935 1.00 0.00 C ATOM 181 OG SER A 12 17.575 -4.823 2.834 1.00 0.00 O ATOM 0 H SER A 12 16.436 -2.921 2.959 1.00 0.00 H new ATOM 0 HA SER A 12 14.450 -4.545 1.669 1.00 0.00 H new ATOM 0 HB2 SER A 12 16.376 -6.159 1.804 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.724 -4.666 0.954 1.00 0.00 H new ATOM 0 HG SER A 12 17.266 -4.936 3.757 1.00 0.00 H new ATOM 187 N HIS A 13 13.407 -5.757 3.429 1.00 0.00 N ATOM 188 CA HIS A 13 12.729 -6.550 4.404 1.00 0.00 C ATOM 189 C HIS A 13 12.323 -7.821 3.734 1.00 0.00 C ATOM 190 O HIS A 13 11.340 -7.854 2.999 1.00 0.00 O ATOM 191 CB HIS A 13 11.493 -5.825 4.967 1.00 0.00 C ATOM 192 CG HIS A 13 10.736 -6.605 6.018 1.00 0.00 C ATOM 193 ND1 HIS A 13 9.424 -7.021 5.875 1.00 0.00 N ATOM 194 CD2 HIS A 13 11.116 -7.019 7.243 1.00 0.00 C ATOM 195 CE1 HIS A 13 9.045 -7.647 6.967 1.00 0.00 C ATOM 196 NE2 HIS A 13 10.052 -7.661 7.810 1.00 0.00 N ATOM 0 H HIS A 13 12.877 -5.613 2.569 1.00 0.00 H new ATOM 0 HA HIS A 13 13.391 -6.743 5.249 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.809 -4.874 5.395 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.816 -5.595 4.144 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.842 -6.866 5.052 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.086 -6.870 7.694 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.070 -8.077 7.142 1.00 0.00 H new ATOM 205 N ARG A 14 13.084 -8.846 4.006 1.00 0.00 N ATOM 206 CA ARG A 14 12.913 -10.165 3.435 1.00 0.00 C ATOM 207 C ARG A 14 12.839 -10.113 1.903 1.00 0.00 C ATOM 208 O ARG A 14 13.820 -9.845 1.239 1.00 0.00 O ATOM 209 CB ARG A 14 11.690 -10.892 4.017 1.00 0.00 C ATOM 210 CG ARG A 14 11.664 -10.963 5.521 1.00 0.00 C ATOM 211 CD ARG A 14 10.452 -11.720 6.011 1.00 0.00 C ATOM 212 NE ARG A 14 9.175 -11.122 5.565 1.00 0.00 N ATOM 213 CZ ARG A 14 8.006 -11.288 6.205 1.00 0.00 C ATOM 214 NH1 ARG A 14 7.948 -12.057 7.280 1.00 0.00 N ATOM 215 NH2 ARG A 14 6.912 -10.692 5.763 1.00 0.00 N ATOM 0 H ARG A 14 13.870 -8.789 4.654 1.00 0.00 H new ATOM 0 HA ARG A 14 13.797 -10.740 3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.786 -10.388 3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.661 -11.906 3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.570 -11.450 5.880 1.00 0.00 H new ATOM 0 HG3 ARG A 14 11.658 -9.955 5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.507 -12.750 5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.469 -11.755 7.100 1.00 0.00 H new ATOM 0 HE ARG A 14 9.183 -10.549 4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.790 -12.522 7.621 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.062 -12.185 7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.953 -10.102 4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.027 -10.822 6.253 1.00 0.00 H new ATOM 229 N ASP A 15 11.652 -10.264 1.389 1.00 0.00 N ATOM 230 CA ASP A 15 11.377 -10.355 -0.017 1.00 0.00 C ATOM 231 C ASP A 15 10.819 -9.041 -0.592 1.00 0.00 C ATOM 232 O ASP A 15 10.165 -9.039 -1.654 1.00 0.00 O ATOM 233 CB ASP A 15 10.391 -11.519 -0.254 1.00 0.00 C ATOM 234 CG ASP A 15 9.143 -11.505 0.610 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.241 -11.397 1.852 1.00 0.00 O ATOM 236 OD2 ASP A 15 8.029 -11.660 0.070 1.00 0.00 O ATOM 0 H ASP A 15 10.812 -10.330 1.964 1.00 0.00 H new ATOM 0 HA ASP A 15 12.314 -10.544 -0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.087 -11.507 -1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.918 -12.458 -0.086 1.00 0.00 H new ATOM 241 N LYS A 16 11.075 -7.928 0.082 1.00 0.00 N ATOM 242 CA LYS A 16 10.685 -6.599 -0.416 1.00 0.00 C ATOM 243 C LYS A 16 11.741 -5.564 -0.016 1.00 0.00 C ATOM 244 O LYS A 16 12.511 -5.787 0.907 1.00 0.00 O ATOM 245 CB LYS A 16 9.317 -6.101 0.138 1.00 0.00 C ATOM 246 CG LYS A 16 8.042 -6.864 -0.252 1.00 0.00 C ATOM 247 CD LYS A 16 7.907 -8.197 0.458 1.00 0.00 C ATOM 248 CE LYS A 16 6.504 -8.750 0.375 1.00 0.00 C ATOM 249 NZ LYS A 16 6.375 -9.961 1.203 1.00 0.00 N ATOM 0 H LYS A 16 11.554 -7.911 0.982 1.00 0.00 H new ATOM 0 HA LYS A 16 10.599 -6.704 -1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.382 -6.100 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.191 -5.065 -0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.172 -6.248 -0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.040 -7.031 -1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.604 -8.912 0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.188 -8.079 1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.790 -7.997 0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.260 -8.984 -0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.368 -10.162 1.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.812 -10.766 0.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.853 -9.811 2.114 1.00 0.00 H new ATOM 263 N CYS A 17 11.781 -4.453 -0.715 1.00 0.00 N ATOM 264 CA CYS A 17 12.657 -3.329 -0.354 1.00 0.00 C ATOM 265 C CYS A 17 11.756 -2.116 -0.235 1.00 0.00 C ATOM 266 O CYS A 17 10.954 -1.915 -1.095 1.00 0.00 O ATOM 267 CB CYS A 17 13.669 -3.064 -1.461 1.00 0.00 C ATOM 268 SG CYS A 17 14.240 -4.540 -2.343 1.00 0.00 S ATOM 0 H CYS A 17 11.216 -4.289 -1.548 1.00 0.00 H new ATOM 0 HA CYS A 17 13.199 -3.545 0.567 1.00 0.00 H new ATOM 0 HB2 CYS A 17 13.226 -2.377 -2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 17 14.533 -2.559 -1.030 1.00 0.00 H new ATOM 273 N PHE A 18 11.869 -1.322 0.799 1.00 0.00 N ATOM 274 CA PHE A 18 10.911 -0.233 0.999 1.00 0.00 C ATOM 275 C PHE A 18 11.475 1.171 0.833 1.00 0.00 C ATOM 276 O PHE A 18 12.688 1.414 0.987 1.00 0.00 O ATOM 277 CB PHE A 18 10.278 -0.338 2.375 1.00 0.00 C ATOM 278 CG PHE A 18 9.569 -1.631 2.621 1.00 0.00 C ATOM 279 CD1 PHE A 18 8.621 -2.108 1.736 1.00 0.00 C ATOM 280 CD2 PHE A 18 9.859 -2.373 3.737 1.00 0.00 C ATOM 281 CE1 PHE A 18 7.984 -3.302 1.976 1.00 0.00 C ATOM 282 CE2 PHE A 18 9.220 -3.567 3.980 1.00 0.00 C ATOM 283 CZ PHE A 18 8.281 -4.031 3.100 1.00 0.00 C ATOM 0 H PHE A 18 12.596 -1.395 1.511 1.00 0.00 H new ATOM 0 HA PHE A 18 10.178 -0.365 0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 18 11.053 -0.211 3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.571 0.482 2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.379 -1.539 0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.600 -2.015 4.436 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.247 -3.668 1.277 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.460 -4.138 4.865 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.776 -4.967 3.289 1.00 0.00 H new ATOM 293 N HIS A 19 10.565 2.072 0.481 1.00 0.00 N ATOM 294 CA HIS A 19 10.782 3.507 0.429 1.00 0.00 C ATOM 295 C HIS A 19 9.486 4.197 0.902 1.00 0.00 C ATOM 296 O HIS A 19 8.542 4.331 0.119 1.00 0.00 O ATOM 297 CB HIS A 19 11.128 4.004 -1.017 1.00 0.00 C ATOM 298 CG HIS A 19 11.415 5.488 -1.110 1.00 0.00 C ATOM 299 ND1 HIS A 19 11.159 6.250 -2.238 1.00 0.00 N ATOM 300 CD2 HIS A 19 11.962 6.340 -0.208 1.00 0.00 C ATOM 301 CE1 HIS A 19 11.538 7.493 -2.011 1.00 0.00 C ATOM 302 NE2 HIS A 19 12.025 7.568 -0.792 1.00 0.00 N ATOM 0 H HIS A 19 9.617 1.808 0.213 1.00 0.00 H new ATOM 0 HA HIS A 19 11.630 3.754 1.068 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.996 3.454 -1.380 1.00 0.00 H new ATOM 0 HB3 HIS A 19 10.297 3.763 -1.680 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.288 6.090 0.791 1.00 0.00 H new ATOM 0 HE1 HIS A 19 11.461 8.313 -2.710 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.392 8.413 -0.353 1.00 0.00 H new ATOM 311 N VAL A 20 9.422 4.561 2.170 1.00 0.00 N ATOM 312 CA VAL A 20 8.279 5.299 2.706 1.00 0.00 C ATOM 313 C VAL A 20 8.507 6.792 2.409 1.00 0.00 C ATOM 314 O VAL A 20 9.280 7.467 3.099 1.00 0.00 O ATOM 315 CB VAL A 20 8.113 5.109 4.255 1.00 0.00 C ATOM 316 CG1 VAL A 20 6.997 6.010 4.794 1.00 0.00 C ATOM 317 CG2 VAL A 20 7.796 3.654 4.592 1.00 0.00 C ATOM 0 H VAL A 20 10.150 4.359 2.856 1.00 0.00 H new ATOM 0 HA VAL A 20 7.372 4.920 2.235 1.00 0.00 H new ATOM 0 HB VAL A 20 9.056 5.386 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.898 5.863 5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.241 7.053 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.056 5.756 4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.685 3.546 5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.868 3.361 4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.608 3.015 4.245 1.00 0.00 H new ATOM 327 N SER A 21 7.941 7.257 1.339 1.00 0.00 N ATOM 328 CA SER A 21 8.088 8.625 0.913 1.00 0.00 C ATOM 329 C SER A 21 7.171 9.560 1.734 1.00 0.00 C ATOM 330 O SER A 21 5.958 9.427 1.666 1.00 0.00 O ATOM 331 CB SER A 21 7.729 8.717 -0.570 1.00 0.00 C ATOM 332 OG SER A 21 8.373 7.689 -1.322 1.00 0.00 O ATOM 0 H SER A 21 7.354 6.693 0.724 1.00 0.00 H new ATOM 0 HA SER A 21 9.119 8.941 1.072 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.649 8.637 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.022 9.693 -0.958 1.00 0.00 H new ATOM 0 HG SER A 21 7.956 7.621 -2.206 1.00 0.00 H new ATOM 338 N GLN A 22 7.767 10.499 2.487 1.00 0.00 N ATOM 339 CA GLN A 22 7.033 11.530 3.273 1.00 0.00 C ATOM 340 C GLN A 22 6.645 12.737 2.419 1.00 0.00 C ATOM 341 O GLN A 22 6.283 13.787 2.943 1.00 0.00 O ATOM 342 CB GLN A 22 7.827 12.022 4.498 1.00 0.00 C ATOM 343 CG GLN A 22 7.763 11.135 5.742 1.00 0.00 C ATOM 344 CD GLN A 22 6.346 10.969 6.325 1.00 0.00 C ATOM 345 OE1 GLN A 22 5.465 11.956 6.141 1.00 0.00 O flip ATOM 346 NE2 GLN A 22 6.048 9.960 6.943 1.00 0.00 N flip ATOM 0 H GLN A 22 8.781 10.573 2.575 1.00 0.00 H new ATOM 0 HA GLN A 22 6.129 11.030 3.622 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.872 12.131 4.208 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.465 13.015 4.765 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.160 10.151 5.494 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.413 11.556 6.509 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.737 9.219 7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.110 9.858 7.331 1.00 0.00 H new ATOM 355 N VAL A 23 6.712 12.585 1.136 1.00 0.00 N ATOM 356 CA VAL A 23 6.412 13.666 0.205 1.00 0.00 C ATOM 357 C VAL A 23 5.080 13.396 -0.462 1.00 0.00 C ATOM 358 O VAL A 23 4.689 12.244 -0.579 1.00 0.00 O ATOM 359 CB VAL A 23 7.541 13.875 -0.841 1.00 0.00 C ATOM 360 CG1 VAL A 23 8.750 14.512 -0.178 1.00 0.00 C ATOM 361 CG2 VAL A 23 7.945 12.553 -1.473 1.00 0.00 C ATOM 0 H VAL A 23 6.976 11.709 0.685 1.00 0.00 H new ATOM 0 HA VAL A 23 6.349 14.597 0.769 1.00 0.00 H new ATOM 0 HB VAL A 23 7.164 14.534 -1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.537 14.655 -0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.468 15.477 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.114 13.861 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.737 12.725 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.305 11.875 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.083 12.110 -1.972 1.00 0.00 H new ATOM 371 N SER A 24 4.387 14.425 -0.883 1.00 0.00 N ATOM 372 CA SER A 24 3.037 14.247 -1.385 1.00 0.00 C ATOM 373 C SER A 24 2.910 14.298 -2.920 1.00 0.00 C ATOM 374 O SER A 24 3.538 15.120 -3.594 1.00 0.00 O ATOM 375 CB SER A 24 2.096 15.232 -0.719 1.00 0.00 C ATOM 376 OG SER A 24 2.126 15.052 0.682 1.00 0.00 O ATOM 0 H SER A 24 4.726 15.387 -0.891 1.00 0.00 H new ATOM 0 HA SER A 24 2.750 13.230 -1.119 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.386 16.252 -0.970 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.082 15.088 -1.091 1.00 0.00 H new ATOM 0 HG SER A 24 1.790 15.860 1.123 1.00 0.00 H new ATOM 382 N ASN A 25 2.075 13.404 -3.410 1.00 0.00 N ATOM 383 CA ASN A 25 1.713 13.147 -4.798 1.00 0.00 C ATOM 384 C ASN A 25 0.337 12.478 -4.768 1.00 0.00 C ATOM 385 O ASN A 25 -0.134 12.091 -3.697 1.00 0.00 O ATOM 386 CB ASN A 25 2.695 12.120 -5.399 1.00 0.00 C ATOM 387 CG ASN A 25 3.937 12.674 -6.089 1.00 0.00 C ATOM 388 OD1 ASN A 25 4.519 11.864 -6.930 1.00 0.00 O flip ATOM 389 ND2 ASN A 25 4.398 13.784 -5.837 1.00 0.00 N flip ATOM 0 H ASN A 25 1.579 12.771 -2.783 1.00 0.00 H new ATOM 0 HA ASN A 25 1.727 14.070 -5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.020 11.454 -4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.150 11.511 -6.120 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.921 14.396 -5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.258 14.094 -6.290 1.00 0.00 H new ATOM 396 N THR A 26 -0.319 12.341 -5.888 1.00 0.00 N ATOM 397 CA THR A 26 -1.520 11.533 -5.910 1.00 0.00 C ATOM 398 C THR A 26 -1.110 10.063 -5.985 1.00 0.00 C ATOM 399 O THR A 26 0.098 9.758 -6.156 1.00 0.00 O ATOM 400 CB THR A 26 -2.448 11.884 -7.092 1.00 0.00 C ATOM 401 OG1 THR A 26 -1.716 11.859 -8.315 1.00 0.00 O ATOM 402 CG2 THR A 26 -3.089 13.242 -6.902 1.00 0.00 C ATOM 0 H THR A 26 -0.056 12.764 -6.778 1.00 0.00 H new ATOM 0 HA THR A 26 -2.085 11.734 -5.000 1.00 0.00 H new ATOM 0 HB THR A 26 -3.240 11.137 -7.130 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.135 12.646 -8.364 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.737 13.461 -7.751 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.680 13.241 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.313 14.004 -6.832 1.00 0.00 H new ATOM 410 N TRP A 27 -2.070 9.165 -5.870 1.00 0.00 N ATOM 411 CA TRP A 27 -1.800 7.733 -5.890 1.00 0.00 C ATOM 412 C TRP A 27 -1.094 7.332 -7.200 1.00 0.00 C ATOM 413 O TRP A 27 -0.061 6.658 -7.179 1.00 0.00 O ATOM 414 CB TRP A 27 -3.117 6.959 -5.694 1.00 0.00 C ATOM 415 CG TRP A 27 -2.989 5.460 -5.647 1.00 0.00 C ATOM 416 CD1 TRP A 27 -2.821 4.675 -4.545 1.00 0.00 C ATOM 417 CD2 TRP A 27 -3.041 4.577 -6.759 1.00 0.00 C ATOM 418 NE1 TRP A 27 -2.746 3.357 -4.918 1.00 0.00 N ATOM 419 CE2 TRP A 27 -2.881 3.273 -6.278 1.00 0.00 C ATOM 420 CE3 TRP A 27 -3.199 4.780 -8.117 1.00 0.00 C ATOM 421 CZ2 TRP A 27 -2.879 2.170 -7.125 1.00 0.00 C ATOM 422 CZ3 TRP A 27 -3.199 3.713 -8.961 1.00 0.00 C ATOM 423 CH2 TRP A 27 -3.039 2.411 -8.470 1.00 0.00 C ATOM 0 H TRP A 27 -3.056 9.402 -5.760 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.127 7.479 -5.071 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -3.581 7.295 -4.767 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.797 7.223 -6.504 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.757 5.037 -3.530 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -2.612 2.568 -4.285 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.322 5.780 -8.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.757 1.167 -6.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.324 3.872 -10.022 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.041 1.580 -9.160 1.00 0.00 H new ATOM 434 N GLU A 28 -1.627 7.796 -8.330 1.00 0.00 N ATOM 435 CA GLU A 28 -1.060 7.474 -9.642 1.00 0.00 C ATOM 436 C GLU A 28 0.321 8.116 -9.850 1.00 0.00 C ATOM 437 O GLU A 28 1.185 7.543 -10.518 1.00 0.00 O ATOM 438 CB GLU A 28 -2.029 7.841 -10.761 1.00 0.00 C ATOM 439 CG GLU A 28 -3.305 7.033 -10.760 1.00 0.00 C ATOM 440 CD GLU A 28 -4.299 7.525 -11.759 1.00 0.00 C ATOM 441 OE1 GLU A 28 -4.224 7.140 -12.945 1.00 0.00 O ATOM 442 OE2 GLU A 28 -5.198 8.300 -11.377 1.00 0.00 O ATOM 0 H GLU A 28 -2.451 8.396 -8.365 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.908 6.395 -9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.281 8.898 -10.677 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.528 7.708 -11.720 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.070 5.990 -10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.750 7.065 -9.765 1.00 0.00 H new ATOM 449 N GLU A 29 0.540 9.287 -9.264 1.00 0.00 N ATOM 450 CA GLU A 29 1.849 9.930 -9.338 1.00 0.00 C ATOM 451 C GLU A 29 2.886 9.115 -8.572 1.00 0.00 C ATOM 452 O GLU A 29 3.948 8.802 -9.098 1.00 0.00 O ATOM 453 CB GLU A 29 1.811 11.339 -8.783 1.00 0.00 C ATOM 454 CG GLU A 29 1.076 12.343 -9.620 1.00 0.00 C ATOM 455 CD GLU A 29 1.017 13.680 -8.941 1.00 0.00 C ATOM 456 OE1 GLU A 29 0.128 13.882 -8.079 1.00 0.00 O ATOM 457 OE2 GLU A 29 1.840 14.557 -9.245 1.00 0.00 O ATOM 0 H GLU A 29 -0.162 9.807 -8.738 1.00 0.00 H new ATOM 0 HA GLU A 29 2.126 9.981 -10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.351 11.309 -7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.836 11.685 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.570 12.445 -10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.064 11.987 -9.815 1.00 0.00 H new ATOM 464 N GLY A 30 2.552 8.750 -7.331 1.00 0.00 N ATOM 465 CA GLY A 30 3.460 7.952 -6.511 1.00 0.00 C ATOM 466 C GLY A 30 3.729 6.601 -7.132 1.00 0.00 C ATOM 467 O GLY A 30 4.823 6.059 -7.016 1.00 0.00 O ATOM 0 H GLY A 30 1.670 8.992 -6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.401 8.488 -6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.031 7.818 -5.518 1.00 0.00 H new ATOM 471 N LEU A 31 2.725 6.097 -7.825 1.00 0.00 N ATOM 472 CA LEU A 31 2.789 4.856 -8.577 1.00 0.00 C ATOM 473 C LEU A 31 3.976 4.930 -9.571 1.00 0.00 C ATOM 474 O LEU A 31 4.859 4.052 -9.580 1.00 0.00 O ATOM 475 CB LEU A 31 1.414 4.697 -9.319 1.00 0.00 C ATOM 476 CG LEU A 31 1.147 3.482 -10.239 1.00 0.00 C ATOM 477 CD1 LEU A 31 1.860 3.583 -11.582 1.00 0.00 C ATOM 478 CD2 LEU A 31 1.523 2.217 -9.540 1.00 0.00 C ATOM 0 H LEU A 31 1.814 6.553 -7.882 1.00 0.00 H new ATOM 0 HA LEU A 31 2.955 3.992 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.636 4.698 -8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.270 5.593 -9.922 1.00 0.00 H new ATOM 0 HG LEU A 31 0.079 3.477 -10.456 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.633 2.701 -12.182 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.522 4.476 -12.107 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.936 3.644 -11.419 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.331 1.368 -10.196 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.582 2.245 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.931 2.114 -8.631 1.00 0.00 H new ATOM 490 N VAL A 32 4.009 6.009 -10.351 1.00 0.00 N ATOM 491 CA VAL A 32 5.059 6.245 -11.352 1.00 0.00 C ATOM 492 C VAL A 32 6.412 6.466 -10.670 1.00 0.00 C ATOM 493 O VAL A 32 7.464 6.048 -11.174 1.00 0.00 O ATOM 494 CB VAL A 32 4.714 7.472 -12.248 1.00 0.00 C ATOM 495 CG1 VAL A 32 5.798 7.735 -13.292 1.00 0.00 C ATOM 496 CG2 VAL A 32 3.377 7.269 -12.929 1.00 0.00 C ATOM 0 H VAL A 32 3.308 6.749 -10.310 1.00 0.00 H new ATOM 0 HA VAL A 32 5.119 5.360 -11.985 1.00 0.00 H new ATOM 0 HB VAL A 32 4.658 8.345 -11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.519 8.598 -13.896 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.745 7.933 -12.791 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.904 6.861 -13.935 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.150 8.135 -13.551 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.418 6.375 -13.552 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.599 7.150 -12.175 1.00 0.00 H new ATOM 506 N ASP A 33 6.375 7.090 -9.519 1.00 0.00 N ATOM 507 CA ASP A 33 7.570 7.353 -8.732 1.00 0.00 C ATOM 508 C ASP A 33 8.255 6.084 -8.279 1.00 0.00 C ATOM 509 O ASP A 33 9.489 6.021 -8.190 1.00 0.00 O ATOM 510 CB ASP A 33 7.298 8.301 -7.574 1.00 0.00 C ATOM 511 CG ASP A 33 7.453 9.753 -7.971 1.00 0.00 C ATOM 512 OD1 ASP A 33 6.503 10.354 -8.502 1.00 0.00 O ATOM 513 OD2 ASP A 33 8.562 10.317 -7.780 1.00 0.00 O ATOM 0 H ASP A 33 5.514 7.434 -9.093 1.00 0.00 H new ATOM 0 HA ASP A 33 8.269 7.860 -9.397 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.287 8.135 -7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.981 8.076 -6.755 1.00 0.00 H new ATOM 518 N CYS A 34 7.481 5.080 -7.975 1.00 0.00 N ATOM 519 CA CYS A 34 8.039 3.795 -7.632 1.00 0.00 C ATOM 520 C CYS A 34 8.636 3.143 -8.879 1.00 0.00 C ATOM 521 O CYS A 34 9.750 2.595 -8.833 1.00 0.00 O ATOM 522 CB CYS A 34 6.988 2.901 -7.001 1.00 0.00 C ATOM 523 SG CYS A 34 6.174 3.642 -5.551 1.00 0.00 S ATOM 0 H CYS A 34 6.462 5.123 -7.957 1.00 0.00 H new ATOM 0 HA CYS A 34 8.832 3.939 -6.898 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.232 2.661 -7.748 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.453 1.961 -6.705 1.00 0.00 H new ATOM 528 N ASP A 35 7.940 3.280 -10.019 1.00 0.00 N ATOM 529 CA ASP A 35 8.408 2.704 -11.297 1.00 0.00 C ATOM 530 C ASP A 35 9.729 3.314 -11.729 1.00 0.00 C ATOM 531 O ASP A 35 10.517 2.681 -12.431 1.00 0.00 O ATOM 532 CB ASP A 35 7.372 2.843 -12.435 1.00 0.00 C ATOM 533 CG ASP A 35 6.203 1.884 -12.335 1.00 0.00 C ATOM 534 OD1 ASP A 35 6.391 0.663 -12.539 1.00 0.00 O ATOM 535 OD2 ASP A 35 5.074 2.323 -12.078 1.00 0.00 O ATOM 0 H ASP A 35 7.054 3.782 -10.085 1.00 0.00 H new ATOM 0 HA ASP A 35 8.549 1.640 -11.108 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.990 3.864 -12.440 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.875 2.686 -13.389 1.00 0.00 H new ATOM 540 N GLY A 36 9.981 4.530 -11.271 1.00 0.00 N ATOM 541 CA GLY A 36 11.217 5.231 -11.562 1.00 0.00 C ATOM 542 C GLY A 36 12.460 4.500 -11.061 1.00 0.00 C ATOM 543 O GLY A 36 13.550 4.672 -11.610 1.00 0.00 O ATOM 0 H GLY A 36 9.332 5.057 -10.687 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.299 5.376 -12.639 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.180 6.222 -11.109 1.00 0.00 H new ATOM 547 N LYS A 37 12.309 3.708 -10.018 1.00 0.00 N ATOM 548 CA LYS A 37 13.426 2.921 -9.497 1.00 0.00 C ATOM 549 C LYS A 37 13.339 1.477 -9.950 1.00 0.00 C ATOM 550 O LYS A 37 14.176 0.656 -9.581 1.00 0.00 O ATOM 551 CB LYS A 37 13.487 2.923 -7.961 1.00 0.00 C ATOM 552 CG LYS A 37 14.097 4.147 -7.289 1.00 0.00 C ATOM 553 CD LYS A 37 13.234 5.386 -7.337 1.00 0.00 C ATOM 554 CE LYS A 37 13.849 6.447 -6.441 1.00 0.00 C ATOM 555 NZ LYS A 37 13.145 7.733 -6.507 1.00 0.00 N ATOM 0 H LYS A 37 11.432 3.588 -9.512 1.00 0.00 H new ATOM 0 HA LYS A 37 14.324 3.396 -9.892 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.472 2.801 -7.583 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.053 2.047 -7.644 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.307 3.906 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.053 4.367 -7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.159 5.754 -8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.222 5.154 -7.006 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.847 6.090 -5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.891 6.595 -6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.610 8.416 -5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.169 8.092 -7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.157 7.603 -6.210 1.00 0.00 H new ATOM 569 N GLY A 38 12.345 1.164 -10.753 1.00 0.00 N ATOM 570 CA GLY A 38 12.115 -0.219 -11.093 1.00 0.00 C ATOM 571 C GLY A 38 11.576 -0.928 -9.882 1.00 0.00 C ATOM 572 O GLY A 38 12.027 -2.018 -9.506 1.00 0.00 O ATOM 0 H GLY A 38 11.698 1.832 -11.173 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.409 -0.293 -11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.043 -0.687 -11.423 1.00 0.00 H new ATOM 576 N ALA A 39 10.668 -0.256 -9.233 1.00 0.00 N ATOM 577 CA ALA A 39 10.033 -0.725 -8.054 1.00 0.00 C ATOM 578 C ALA A 39 8.545 -0.588 -8.261 1.00 0.00 C ATOM 579 O ALA A 39 8.117 -0.009 -9.255 1.00 0.00 O ATOM 580 CB ALA A 39 10.499 0.103 -6.866 1.00 0.00 C ATOM 0 H ALA A 39 10.345 0.665 -9.528 1.00 0.00 H new ATOM 0 HA ALA A 39 10.284 -1.766 -7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.012 -0.256 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.580 0.010 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.239 1.149 -7.027 1.00 0.00 H new ATOM 586 N THR A 40 7.780 -1.088 -7.369 1.00 0.00 N ATOM 587 CA THR A 40 6.368 -1.054 -7.483 1.00 0.00 C ATOM 588 C THR A 40 5.744 -0.392 -6.255 1.00 0.00 C ATOM 589 O THR A 40 6.313 -0.437 -5.171 1.00 0.00 O ATOM 590 CB THR A 40 5.817 -2.484 -7.712 1.00 0.00 C ATOM 591 OG1 THR A 40 6.587 -3.446 -6.950 1.00 0.00 O ATOM 592 CG2 THR A 40 5.854 -2.862 -9.185 1.00 0.00 C ATOM 0 H THR A 40 8.120 -1.542 -6.521 1.00 0.00 H new ATOM 0 HA THR A 40 6.095 -0.450 -8.348 1.00 0.00 H new ATOM 0 HB THR A 40 4.780 -2.496 -7.377 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.334 -3.771 -7.494 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.461 -3.871 -9.312 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.245 -2.161 -9.756 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.882 -2.826 -9.544 1.00 0.00 H new ATOM 600 N LEU A 41 4.643 0.299 -6.446 1.00 0.00 N ATOM 601 CA LEU A 41 3.924 0.930 -5.343 1.00 0.00 C ATOM 602 C LEU A 41 3.520 -0.176 -4.338 1.00 0.00 C ATOM 603 O LEU A 41 2.800 -1.099 -4.708 1.00 0.00 O ATOM 604 CB LEU A 41 2.702 1.690 -5.902 1.00 0.00 C ATOM 605 CG LEU A 41 1.940 2.622 -4.952 1.00 0.00 C ATOM 606 CD1 LEU A 41 2.829 3.738 -4.427 1.00 0.00 C ATOM 607 CD2 LEU A 41 0.731 3.210 -5.648 1.00 0.00 C ATOM 0 H LEU A 41 4.216 0.444 -7.361 1.00 0.00 H new ATOM 0 HA LEU A 41 4.547 1.657 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.037 2.282 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.996 0.953 -6.285 1.00 0.00 H new ATOM 0 HG LEU A 41 1.612 2.025 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.253 4.377 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.670 3.308 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.201 4.330 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.200 3.869 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.054 3.779 -6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.067 2.406 -5.965 1.00 0.00 H new ATOM 619 N MET A 42 4.004 -0.023 -3.087 1.00 0.00 N ATOM 620 CA MET A 42 3.974 -1.025 -1.965 1.00 0.00 C ATOM 621 C MET A 42 2.882 -2.101 -2.048 1.00 0.00 C ATOM 622 O MET A 42 1.687 -1.794 -2.069 1.00 0.00 O ATOM 623 CB MET A 42 3.898 -0.287 -0.620 1.00 0.00 C ATOM 624 CG MET A 42 3.777 -1.169 0.621 1.00 0.00 C ATOM 625 SD MET A 42 5.140 -2.285 0.840 1.00 0.00 S ATOM 626 CE MET A 42 4.556 -3.264 2.234 1.00 0.00 C ATOM 0 H MET A 42 4.454 0.847 -2.802 1.00 0.00 H new ATOM 0 HA MET A 42 4.904 -1.585 -2.060 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.790 0.331 -0.516 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.043 0.388 -0.646 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.695 -0.532 1.502 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.854 -1.745 0.558 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.398 -3.517 2.879 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.824 -2.689 2.801 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.092 -4.179 1.867 1.00 0.00 H new ATOM 636 N LEU A 43 3.323 -3.359 -2.030 1.00 0.00 N ATOM 637 CA LEU A 43 2.457 -4.521 -2.108 1.00 0.00 C ATOM 638 C LEU A 43 2.519 -5.272 -0.776 1.00 0.00 C ATOM 639 O LEU A 43 3.473 -6.012 -0.490 1.00 0.00 O ATOM 640 CB LEU A 43 2.857 -5.483 -3.263 1.00 0.00 C ATOM 641 CG LEU A 43 2.769 -4.967 -4.722 1.00 0.00 C ATOM 642 CD1 LEU A 43 1.503 -4.223 -4.978 1.00 0.00 C ATOM 643 CD2 LEU A 43 3.960 -4.155 -5.158 1.00 0.00 C ATOM 0 H LEU A 43 4.312 -3.596 -1.959 1.00 0.00 H new ATOM 0 HA LEU A 43 1.445 -4.172 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.884 -5.803 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.229 -6.371 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 43 2.771 -5.868 -5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.485 -3.880 -6.013 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.652 -4.880 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.445 -3.364 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.822 -3.831 -6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.060 -3.281 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.861 -4.764 -5.087 1.00 0.00 H new ATOM 655 N ILE A 44 1.530 -5.063 0.040 1.00 0.00 N ATOM 656 CA ILE A 44 1.500 -5.632 1.367 1.00 0.00 C ATOM 657 C ILE A 44 0.923 -7.033 1.311 1.00 0.00 C ATOM 658 O ILE A 44 -0.285 -7.226 1.219 1.00 0.00 O ATOM 659 CB ILE A 44 0.668 -4.781 2.324 1.00 0.00 C ATOM 660 CG1 ILE A 44 1.026 -3.299 2.150 1.00 0.00 C ATOM 661 CG2 ILE A 44 0.943 -5.236 3.750 1.00 0.00 C ATOM 662 CD1 ILE A 44 0.140 -2.359 2.898 1.00 0.00 C ATOM 0 H ILE A 44 0.716 -4.493 -0.190 1.00 0.00 H new ATOM 0 HA ILE A 44 2.524 -5.663 1.740 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.393 -4.902 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.055 -3.146 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.986 -3.050 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.354 -4.635 4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.669 -6.286 3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.003 -5.113 3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.464 -1.334 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.888 -2.480 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.197 -2.576 3.965 1.00 0.00 H new ATOM 674 N GLN A 45 1.794 -7.989 1.354 1.00 0.00 N ATOM 675 CA GLN A 45 1.421 -9.376 1.201 1.00 0.00 C ATOM 676 C GLN A 45 1.344 -10.094 2.552 1.00 0.00 C ATOM 677 O GLN A 45 0.851 -11.226 2.637 1.00 0.00 O ATOM 678 CB GLN A 45 2.478 -10.064 0.349 1.00 0.00 C ATOM 679 CG GLN A 45 2.792 -9.371 -0.976 1.00 0.00 C ATOM 680 CD GLN A 45 1.595 -9.259 -1.888 1.00 0.00 C ATOM 681 OE1 GLN A 45 1.378 -10.276 -2.641 1.00 0.00 O flip ATOM 682 NE2 GLN A 45 0.863 -8.275 -1.889 1.00 0.00 N flip ATOM 0 H GLN A 45 2.793 -7.838 1.497 1.00 0.00 H new ATOM 0 HA GLN A 45 0.437 -9.419 0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.398 -10.139 0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.149 -11.082 0.140 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.180 -8.373 -0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.581 -9.922 -1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.068 -7.486 -1.276 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.049 -8.246 -2.503 1.00 0.00 H new ATOM 691 N ASP A 46 1.797 -9.425 3.596 1.00 0.00 N ATOM 692 CA ASP A 46 1.948 -10.023 4.917 1.00 0.00 C ATOM 693 C ASP A 46 1.922 -8.904 5.953 1.00 0.00 C ATOM 694 O ASP A 46 2.144 -7.744 5.601 1.00 0.00 O ATOM 695 CB ASP A 46 3.276 -10.817 4.961 1.00 0.00 C ATOM 696 CG ASP A 46 3.654 -11.322 6.329 1.00 0.00 C ATOM 697 OD1 ASP A 46 3.131 -12.357 6.774 1.00 0.00 O ATOM 698 OD2 ASP A 46 4.498 -10.692 6.967 1.00 0.00 O ATOM 0 H ASP A 46 2.074 -8.444 3.555 1.00 0.00 H new ATOM 0 HA ASP A 46 1.137 -10.717 5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.200 -11.666 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.078 -10.181 4.587 1.00 0.00 H new ATOM 703 N GLN A 47 1.656 -9.228 7.202 1.00 0.00 N ATOM 704 CA GLN A 47 1.496 -8.220 8.231 1.00 0.00 C ATOM 705 C GLN A 47 2.834 -7.705 8.755 1.00 0.00 C ATOM 706 O GLN A 47 2.931 -6.551 9.197 1.00 0.00 O ATOM 707 CB GLN A 47 0.647 -8.757 9.357 1.00 0.00 C ATOM 708 CG GLN A 47 0.149 -7.700 10.308 1.00 0.00 C ATOM 709 CD GLN A 47 -0.926 -8.234 11.193 1.00 0.00 C ATOM 710 OE1 GLN A 47 -0.665 -8.742 12.287 1.00 0.00 O ATOM 711 NE2 GLN A 47 -2.144 -8.112 10.735 1.00 0.00 N ATOM 0 H GLN A 47 1.545 -10.187 7.531 1.00 0.00 H new ATOM 0 HA GLN A 47 0.990 -7.368 7.778 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.209 -9.283 8.934 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.227 -9.491 9.917 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.977 -7.335 10.916 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.231 -6.849 9.743 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.306 -7.684 9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.933 -8.445 11.289 1.00 0.00 H new ATOM 720 N GLU A 48 3.872 -8.525 8.673 1.00 0.00 N ATOM 721 CA GLU A 48 5.197 -8.123 9.120 1.00 0.00 C ATOM 722 C GLU A 48 5.720 -7.000 8.253 1.00 0.00 C ATOM 723 O GLU A 48 6.551 -6.201 8.686 1.00 0.00 O ATOM 724 CB GLU A 48 6.165 -9.291 9.138 1.00 0.00 C ATOM 725 CG GLU A 48 5.851 -10.344 10.185 1.00 0.00 C ATOM 726 CD GLU A 48 6.812 -11.496 10.127 1.00 0.00 C ATOM 727 OE1 GLU A 48 8.001 -11.314 10.456 1.00 0.00 O ATOM 728 OE2 GLU A 48 6.408 -12.608 9.696 1.00 0.00 O ATOM 0 H GLU A 48 3.822 -9.473 8.301 1.00 0.00 H new ATOM 0 HA GLU A 48 5.110 -7.765 10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.167 -9.762 8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.172 -8.911 9.312 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.886 -9.892 11.176 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.835 -10.711 10.037 1.00 0.00 H new ATOM 735 N GLU A 49 5.234 -6.961 7.015 1.00 0.00 N ATOM 736 CA GLU A 49 5.558 -5.895 6.089 1.00 0.00 C ATOM 737 C GLU A 49 5.147 -4.571 6.705 1.00 0.00 C ATOM 738 O GLU A 49 5.976 -3.682 6.880 1.00 0.00 O ATOM 739 CB GLU A 49 4.831 -6.085 4.751 1.00 0.00 C ATOM 740 CG GLU A 49 5.069 -7.431 4.066 1.00 0.00 C ATOM 741 CD GLU A 49 6.529 -7.859 3.954 1.00 0.00 C ATOM 742 OE1 GLU A 49 7.439 -7.048 4.158 1.00 0.00 O ATOM 743 OE2 GLU A 49 6.765 -9.063 3.689 1.00 0.00 O ATOM 0 H GLU A 49 4.607 -7.668 6.632 1.00 0.00 H new ATOM 0 HA GLU A 49 6.631 -5.910 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.761 -5.964 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.140 -5.290 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.524 -8.200 4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.642 -7.390 3.064 1.00 0.00 H new ATOM 750 N LEU A 50 3.865 -4.481 7.117 1.00 0.00 N ATOM 751 CA LEU A 50 3.344 -3.255 7.735 1.00 0.00 C ATOM 752 C LEU A 50 4.108 -2.943 8.959 1.00 0.00 C ATOM 753 O LEU A 50 4.364 -1.824 9.228 1.00 0.00 O ATOM 754 CB LEU A 50 1.925 -3.365 8.208 1.00 0.00 C ATOM 755 CG LEU A 50 0.885 -3.844 7.262 1.00 0.00 C ATOM 756 CD1 LEU A 50 -0.371 -4.191 8.043 1.00 0.00 C ATOM 757 CD2 LEU A 50 0.597 -2.764 6.259 1.00 0.00 C ATOM 0 H LEU A 50 3.183 -5.235 7.032 1.00 0.00 H new ATOM 0 HA LEU A 50 3.424 -2.501 6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.917 -4.031 9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.619 -2.381 8.562 1.00 0.00 H new ATOM 0 HG LEU A 50 1.233 -4.732 6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.141 -4.544 7.356 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.145 -4.973 8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.730 -3.305 8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.166 -3.109 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.240 -1.873 6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.508 -2.524 5.711 1.00 0.00 H new ATOM 769 N ARG A 51 4.442 -3.963 9.715 1.00 0.00 N ATOM 770 CA ARG A 51 5.176 -3.779 10.944 1.00 0.00 C ATOM 771 C ARG A 51 6.507 -3.097 10.683 1.00 0.00 C ATOM 772 O ARG A 51 6.873 -2.155 11.394 1.00 0.00 O ATOM 773 CB ARG A 51 5.316 -5.103 11.715 1.00 0.00 C ATOM 774 CG ARG A 51 3.976 -5.645 12.210 1.00 0.00 C ATOM 775 CD ARG A 51 3.366 -4.734 13.271 1.00 0.00 C ATOM 776 NE ARG A 51 1.913 -4.891 13.381 1.00 0.00 N ATOM 777 CZ ARG A 51 1.092 -3.893 13.751 1.00 0.00 C ATOM 778 NH1 ARG A 51 1.576 -2.842 14.395 1.00 0.00 N ATOM 779 NH2 ARG A 51 -0.215 -3.981 13.556 1.00 0.00 N ATOM 0 H ARG A 51 4.215 -4.934 9.498 1.00 0.00 H new ATOM 0 HA ARG A 51 4.607 -3.111 11.591 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.787 -5.845 11.071 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.979 -4.954 12.567 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.288 -5.740 11.370 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.116 -6.644 12.623 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.825 -4.948 14.236 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.598 -3.696 13.031 1.00 0.00 H new ATOM 0 HE ARG A 51 1.505 -5.801 13.167 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.572 -2.790 14.610 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.953 -2.085 14.676 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.611 -4.814 13.120 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.826 -3.216 13.842 1.00 0.00 H new ATOM 793 N PHE A 52 7.180 -3.496 9.621 1.00 0.00 N ATOM 794 CA PHE A 52 8.425 -2.868 9.273 1.00 0.00 C ATOM 795 C PHE A 52 8.153 -1.477 8.678 1.00 0.00 C ATOM 796 O PHE A 52 8.971 -0.547 8.819 1.00 0.00 O ATOM 797 CB PHE A 52 9.259 -3.740 8.334 1.00 0.00 C ATOM 798 CG PHE A 52 10.625 -3.176 8.087 1.00 0.00 C ATOM 799 CD1 PHE A 52 11.661 -3.411 8.972 1.00 0.00 C ATOM 800 CD2 PHE A 52 10.863 -2.397 6.986 1.00 0.00 C ATOM 801 CE1 PHE A 52 12.911 -2.871 8.750 1.00 0.00 C ATOM 802 CE2 PHE A 52 12.098 -1.858 6.753 1.00 0.00 C ATOM 803 CZ PHE A 52 13.130 -2.092 7.636 1.00 0.00 C ATOM 0 H PHE A 52 6.884 -4.245 8.995 1.00 0.00 H new ATOM 0 HA PHE A 52 9.019 -2.746 10.179 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.354 -4.739 8.760 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.737 -3.847 7.383 1.00 0.00 H new ATOM 0 HD1 PHE A 52 11.490 -4.023 9.845 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.061 -2.205 6.289 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.714 -3.059 9.447 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.265 -1.249 5.877 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.106 -1.666 7.455 1.00 0.00 H new ATOM 813 N LEU A 53 6.989 -1.330 8.026 1.00 0.00 N ATOM 814 CA LEU A 53 6.574 -0.040 7.517 1.00 0.00 C ATOM 815 C LEU A 53 6.432 0.912 8.663 1.00 0.00 C ATOM 816 O LEU A 53 6.997 1.953 8.648 1.00 0.00 O ATOM 817 CB LEU A 53 5.249 -0.080 6.691 1.00 0.00 C ATOM 818 CG LEU A 53 5.275 -0.706 5.276 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.172 -0.142 4.435 1.00 0.00 C ATOM 820 CD2 LEU A 53 6.595 -0.523 4.562 1.00 0.00 C ATOM 0 H LEU A 53 6.332 -2.090 7.846 1.00 0.00 H new ATOM 0 HA LEU A 53 7.347 0.291 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.509 -0.623 7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.889 0.944 6.593 1.00 0.00 H new ATOM 0 HG LEU A 53 5.133 -1.777 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.204 -0.592 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.211 -0.360 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.297 0.937 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.543 -0.986 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.805 0.541 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.390 -0.992 5.141 1.00 0.00 H new ATOM 832 N LEU A 54 5.726 0.489 9.689 1.00 0.00 N ATOM 833 CA LEU A 54 5.464 1.284 10.876 1.00 0.00 C ATOM 834 C LEU A 54 6.754 1.705 11.560 1.00 0.00 C ATOM 835 O LEU A 54 6.819 2.776 12.161 1.00 0.00 O ATOM 836 CB LEU A 54 4.569 0.523 11.851 1.00 0.00 C ATOM 837 CG LEU A 54 3.247 -0.001 11.280 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.403 -0.616 12.347 1.00 0.00 C ATOM 839 CD2 LEU A 54 2.482 1.069 10.552 1.00 0.00 C ATOM 0 H LEU A 54 5.306 -0.440 9.725 1.00 0.00 H new ATOM 0 HA LEU A 54 4.944 2.187 10.557 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.132 -0.323 12.246 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.344 1.177 12.693 1.00 0.00 H new ATOM 0 HG LEU A 54 3.502 -0.773 10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.472 -0.978 11.911 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.940 -1.449 12.800 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.180 0.130 13.110 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.552 0.652 10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.255 1.885 11.238 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.083 1.447 9.725 1.00 0.00 H new ATOM 851 N ASP A 55 7.777 0.871 11.452 1.00 0.00 N ATOM 852 CA ASP A 55 9.092 1.205 11.987 1.00 0.00 C ATOM 853 C ASP A 55 9.692 2.370 11.222 1.00 0.00 C ATOM 854 O ASP A 55 10.250 3.293 11.810 1.00 0.00 O ATOM 855 CB ASP A 55 10.073 0.008 11.947 1.00 0.00 C ATOM 856 CG ASP A 55 9.734 -1.102 12.914 1.00 0.00 C ATOM 857 OD1 ASP A 55 9.576 -0.822 14.121 1.00 0.00 O ATOM 858 OD2 ASP A 55 9.626 -2.288 12.496 1.00 0.00 O ATOM 0 H ASP A 55 7.724 -0.042 11.000 1.00 0.00 H new ATOM 0 HA ASP A 55 8.944 1.478 13.032 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.091 -0.399 10.936 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.078 0.369 12.164 1.00 0.00 H new ATOM 863 N SER A 56 9.535 2.344 9.918 1.00 0.00 N ATOM 864 CA SER A 56 10.097 3.354 9.044 1.00 0.00 C ATOM 865 C SER A 56 9.165 4.572 8.829 1.00 0.00 C ATOM 866 O SER A 56 9.619 5.637 8.397 1.00 0.00 O ATOM 867 CB SER A 56 10.520 2.702 7.723 1.00 0.00 C ATOM 868 OG SER A 56 9.507 1.836 7.228 1.00 0.00 O ATOM 0 H SER A 56 9.011 1.618 9.429 1.00 0.00 H new ATOM 0 HA SER A 56 10.978 3.769 9.535 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.733 3.475 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.442 2.140 7.871 1.00 0.00 H new ATOM 0 HG SER A 56 8.653 2.051 7.658 1.00 0.00 H new ATOM 874 N ILE A 57 7.867 4.398 9.127 1.00 0.00 N ATOM 875 CA ILE A 57 6.853 5.459 9.004 1.00 0.00 C ATOM 876 C ILE A 57 7.267 6.702 9.772 1.00 0.00 C ATOM 877 O ILE A 57 7.186 7.819 9.239 1.00 0.00 O ATOM 878 CB ILE A 57 5.421 4.998 9.493 1.00 0.00 C ATOM 879 CG1 ILE A 57 4.807 3.919 8.584 1.00 0.00 C ATOM 880 CG2 ILE A 57 4.459 6.161 9.636 1.00 0.00 C ATOM 881 CD1 ILE A 57 4.679 4.299 7.129 1.00 0.00 C ATOM 0 H ILE A 57 7.489 3.512 9.462 1.00 0.00 H new ATOM 0 HA ILE A 57 6.787 5.688 7.940 1.00 0.00 H new ATOM 0 HB ILE A 57 5.578 4.561 10.479 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.416 3.018 8.655 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.818 3.666 8.965 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.490 5.793 9.974 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.852 6.870 10.364 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.342 6.657 8.673 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.236 3.472 6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 57 4.043 5.179 7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 57 5.666 4.521 6.723 1.00 0.00 H new ATOM 893 N LYS A 58 7.699 6.499 11.024 1.00 0.00 N ATOM 894 CA LYS A 58 8.158 7.569 11.916 1.00 0.00 C ATOM 895 C LYS A 58 7.013 8.477 12.387 1.00 0.00 C ATOM 896 O LYS A 58 6.736 8.562 13.580 1.00 0.00 O ATOM 897 CB LYS A 58 9.320 8.379 11.276 1.00 0.00 C ATOM 898 CG LYS A 58 9.736 9.641 12.028 1.00 0.00 C ATOM 899 CD LYS A 58 10.165 9.352 13.453 1.00 0.00 C ATOM 900 CE LYS A 58 10.540 10.634 14.164 1.00 0.00 C ATOM 901 NZ LYS A 58 10.909 10.403 15.572 1.00 0.00 N ATOM 0 H LYS A 58 7.739 5.573 11.450 1.00 0.00 H new ATOM 0 HA LYS A 58 8.549 7.088 12.812 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.189 7.727 11.188 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.029 8.660 10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.556 10.124 11.496 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.904 10.345 12.038 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.356 8.855 13.989 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.014 8.668 13.452 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.374 11.105 13.644 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.703 11.330 14.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.158 11.309 16.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.105 9.978 16.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.725 9.759 15.616 1.00 0.00 H new ATOM 915 N GLU A 59 6.356 9.111 11.453 1.00 0.00 N ATOM 916 CA GLU A 59 5.326 10.078 11.729 1.00 0.00 C ATOM 917 C GLU A 59 4.029 9.440 12.201 1.00 0.00 C ATOM 918 O GLU A 59 3.674 9.574 13.352 1.00 0.00 O ATOM 919 CB GLU A 59 5.062 10.910 10.485 1.00 0.00 C ATOM 920 CG GLU A 59 6.263 11.691 10.003 1.00 0.00 C ATOM 921 CD GLU A 59 6.658 12.797 10.940 1.00 0.00 C ATOM 922 OE1 GLU A 59 7.482 12.568 11.835 1.00 0.00 O ATOM 923 OE2 GLU A 59 6.180 13.942 10.750 1.00 0.00 O ATOM 0 H GLU A 59 6.525 8.967 10.457 1.00 0.00 H new ATOM 0 HA GLU A 59 5.687 10.709 12.541 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.724 10.252 9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.248 11.605 10.691 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.105 11.011 9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.045 12.114 9.022 1.00 0.00 H new ATOM 930 N LYS A 60 3.345 8.734 11.282 1.00 0.00 N ATOM 931 CA LYS A 60 1.986 8.148 11.475 1.00 0.00 C ATOM 932 C LYS A 60 0.873 9.187 11.261 1.00 0.00 C ATOM 933 O LYS A 60 -0.237 8.841 10.936 1.00 0.00 O ATOM 934 CB LYS A 60 1.775 7.384 12.818 1.00 0.00 C ATOM 935 CG LYS A 60 2.647 6.146 13.023 1.00 0.00 C ATOM 936 CD LYS A 60 2.161 5.348 14.233 1.00 0.00 C ATOM 937 CE LYS A 60 2.994 4.092 14.495 1.00 0.00 C ATOM 938 NZ LYS A 60 4.335 4.390 15.063 1.00 0.00 N ATOM 0 H LYS A 60 3.725 8.544 10.355 1.00 0.00 H new ATOM 0 HA LYS A 60 1.919 7.388 10.696 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.959 8.075 13.640 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.729 7.083 12.883 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.618 5.520 12.131 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.685 6.444 13.169 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.188 5.986 15.116 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.121 5.062 14.078 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.452 3.440 15.181 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.115 3.542 13.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.852 3.501 15.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.868 4.988 14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.225 4.890 15.969 1.00 0.00 H new ATOM 952 N TYR A 61 1.215 10.461 11.365 1.00 0.00 N ATOM 953 CA TYR A 61 0.246 11.576 11.217 1.00 0.00 C ATOM 954 C TYR A 61 0.021 11.925 9.744 1.00 0.00 C ATOM 955 O TYR A 61 -0.321 13.052 9.415 1.00 0.00 O ATOM 956 CB TYR A 61 0.770 12.838 11.940 1.00 0.00 C ATOM 957 CG TYR A 61 0.970 12.693 13.430 1.00 0.00 C ATOM 958 CD1 TYR A 61 2.018 11.960 13.919 1.00 0.00 C ATOM 959 CD2 TYR A 61 0.121 13.306 14.342 1.00 0.00 C ATOM 960 CE1 TYR A 61 2.236 11.819 15.261 1.00 0.00 C ATOM 961 CE2 TYR A 61 0.331 13.171 15.706 1.00 0.00 C ATOM 962 CZ TYR A 61 1.398 12.419 16.153 1.00 0.00 C ATOM 963 OH TYR A 61 1.637 12.275 17.504 1.00 0.00 O ATOM 0 H TYR A 61 2.169 10.769 11.554 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.696 11.249 11.658 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.719 13.127 11.489 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.071 13.655 11.762 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.691 11.480 13.225 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.712 13.894 13.985 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.071 11.233 15.614 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.333 13.649 16.411 1.00 0.00 H new ATOM 0 HH TYR A 61 0.954 12.762 18.011 1.00 0.00 H new ATOM 973 N ASN A 62 0.177 10.963 8.874 1.00 0.00 N ATOM 974 CA ASN A 62 0.039 11.209 7.443 1.00 0.00 C ATOM 975 C ASN A 62 -0.716 10.078 6.781 1.00 0.00 C ATOM 976 O ASN A 62 -1.237 9.198 7.450 1.00 0.00 O ATOM 977 CB ASN A 62 1.407 11.347 6.738 1.00 0.00 C ATOM 978 CG ASN A 62 2.283 12.476 7.221 1.00 0.00 C ATOM 979 OD1 ASN A 62 2.153 13.601 6.787 1.00 0.00 O ATOM 980 ND2 ASN A 62 3.240 12.165 8.046 1.00 0.00 N ATOM 0 H ASN A 62 0.400 9.998 9.120 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.506 12.147 7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.953 10.411 6.859 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.233 11.479 5.670 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.907 12.877 8.345 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.323 11.210 8.394 1.00 0.00 H new ATOM 987 N SER A 63 -0.719 10.103 5.466 1.00 0.00 N ATOM 988 CA SER A 63 -1.357 9.097 4.632 1.00 0.00 C ATOM 989 C SER A 63 -0.344 8.698 3.575 1.00 0.00 C ATOM 990 O SER A 63 0.160 9.568 2.856 1.00 0.00 O ATOM 991 CB SER A 63 -2.624 9.650 3.934 1.00 0.00 C ATOM 992 OG SER A 63 -3.627 10.082 4.854 1.00 0.00 O ATOM 0 H SER A 63 -0.266 10.842 4.929 1.00 0.00 H new ATOM 0 HA SER A 63 -1.667 8.253 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.343 10.486 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.041 8.878 3.287 1.00 0.00 H new ATOM 0 HG SER A 63 -4.507 10.035 4.425 1.00 0.00 H new ATOM 998 N PHE A 64 0.004 7.432 3.521 1.00 0.00 N ATOM 999 CA PHE A 64 0.994 6.949 2.560 1.00 0.00 C ATOM 1000 C PHE A 64 0.353 5.897 1.673 1.00 0.00 C ATOM 1001 O PHE A 64 0.000 4.819 2.153 1.00 0.00 O ATOM 1002 CB PHE A 64 2.198 6.321 3.284 1.00 0.00 C ATOM 1003 CG PHE A 64 2.601 7.036 4.531 1.00 0.00 C ATOM 1004 CD1 PHE A 64 3.305 8.207 4.488 1.00 0.00 C ATOM 1005 CD2 PHE A 64 2.221 6.538 5.747 1.00 0.00 C ATOM 1006 CE1 PHE A 64 3.619 8.871 5.645 1.00 0.00 C ATOM 1007 CE2 PHE A 64 2.528 7.166 6.906 1.00 0.00 C ATOM 1008 CZ PHE A 64 3.231 8.347 6.869 1.00 0.00 C ATOM 0 H PHE A 64 -0.380 6.709 4.130 1.00 0.00 H new ATOM 0 HA PHE A 64 1.341 7.793 1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.960 5.287 3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.047 6.298 2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.616 8.612 3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.659 5.616 5.783 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.167 9.800 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.223 6.743 7.852 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.479 8.862 7.785 1.00 0.00 H new ATOM 1018 N TRP A 65 0.176 6.227 0.410 1.00 0.00 N ATOM 1019 CA TRP A 65 -0.432 5.344 -0.575 1.00 0.00 C ATOM 1020 C TRP A 65 0.338 4.047 -0.709 1.00 0.00 C ATOM 1021 O TRP A 65 1.580 4.043 -0.717 1.00 0.00 O ATOM 1022 CB TRP A 65 -0.436 5.982 -1.978 1.00 0.00 C ATOM 1023 CG TRP A 65 -1.161 7.281 -2.145 1.00 0.00 C ATOM 1024 CD1 TRP A 65 -0.611 8.477 -2.510 1.00 0.00 C ATOM 1025 CD2 TRP A 65 -2.562 7.518 -1.988 1.00 0.00 C ATOM 1026 NE1 TRP A 65 -1.580 9.435 -2.595 1.00 0.00 N ATOM 1027 CE2 TRP A 65 -2.785 8.875 -2.279 1.00 0.00 C ATOM 1028 CE3 TRP A 65 -3.654 6.717 -1.632 1.00 0.00 C ATOM 1029 CZ2 TRP A 65 -4.039 9.443 -2.227 1.00 0.00 C ATOM 1030 CZ3 TRP A 65 -4.904 7.293 -1.580 1.00 0.00 C ATOM 1031 CH2 TRP A 65 -5.084 8.645 -1.879 1.00 0.00 C ATOM 0 H TRP A 65 0.454 7.131 0.029 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.447 5.164 -0.221 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.600 6.134 -2.281 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -0.870 5.263 -2.673 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.439 8.641 -2.703 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -1.429 10.410 -2.853 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.519 5.670 -1.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -4.188 10.488 -2.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.757 6.691 -1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -6.077 9.067 -1.833 1.00 0.00 H new ATOM 1042 N ILE A 66 -0.379 2.965 -0.803 1.00 0.00 N ATOM 1043 CA ILE A 66 0.215 1.712 -1.168 1.00 0.00 C ATOM 1044 C ILE A 66 -0.499 1.239 -2.424 1.00 0.00 C ATOM 1045 O ILE A 66 -1.464 1.884 -2.840 1.00 0.00 O ATOM 1046 CB ILE A 66 0.249 0.607 -0.041 1.00 0.00 C ATOM 1047 CG1 ILE A 66 -1.155 0.138 0.428 1.00 0.00 C ATOM 1048 CG2 ILE A 66 1.073 1.105 1.157 1.00 0.00 C ATOM 1049 CD1 ILE A 66 -1.817 1.017 1.469 1.00 0.00 C ATOM 0 H ILE A 66 -1.384 2.926 -0.630 1.00 0.00 H new ATOM 0 HA ILE A 66 1.277 1.881 -1.343 1.00 0.00 H new ATOM 0 HB ILE A 66 0.721 -0.268 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.809 0.078 -0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.067 -0.871 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.092 0.337 1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.092 1.319 0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.621 2.012 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.791 0.603 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.192 1.059 2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.945 2.022 1.068 1.00 0.00 H new ATOM 1061 N GLY A 67 -0.090 0.139 -3.010 1.00 0.00 N ATOM 1062 CA GLY A 67 -0.636 -0.269 -4.311 1.00 0.00 C ATOM 1063 C GLY A 67 -2.067 -0.808 -4.292 1.00 0.00 C ATOM 1064 O GLY A 67 -2.477 -1.476 -5.229 1.00 0.00 O ATOM 0 H GLY A 67 0.611 -0.493 -2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.599 0.588 -4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.015 -1.034 -4.733 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.818 -0.496 -3.262 1.00 0.00 N ATOM 1069 CA LEU A 68 -4.183 -0.957 -3.126 1.00 0.00 C ATOM 1070 C LEU A 68 -5.149 -0.015 -3.751 1.00 0.00 C ATOM 1071 O LEU A 68 -5.265 1.132 -3.320 1.00 0.00 O ATOM 1072 CB LEU A 68 -4.578 -1.116 -1.663 1.00 0.00 C ATOM 1073 CG LEU A 68 -4.326 -2.457 -1.030 1.00 0.00 C ATOM 1074 CD1 LEU A 68 -4.626 -2.381 0.456 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -5.208 -3.511 -1.687 1.00 0.00 C ATOM 0 H LEU A 68 -2.499 0.088 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.222 -1.921 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.044 -0.362 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.641 -0.893 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.281 -2.733 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.443 -3.353 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.981 -1.634 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.669 -2.101 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.022 -4.481 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.256 -3.242 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.978 -3.566 -2.751 1.00 0.00 H new ATOM 1087 N ARG A 69 -5.853 -0.478 -4.733 1.00 0.00 N ATOM 1088 CA ARG A 69 -6.907 0.298 -5.299 1.00 0.00 C ATOM 1089 C ARG A 69 -8.158 -0.532 -5.388 1.00 0.00 C ATOM 1090 O ARG A 69 -8.104 -1.739 -5.670 1.00 0.00 O ATOM 1091 CB ARG A 69 -6.551 0.904 -6.662 1.00 0.00 C ATOM 1092 CG ARG A 69 -6.199 -0.081 -7.757 1.00 0.00 C ATOM 1093 CD ARG A 69 -6.107 0.635 -9.097 1.00 0.00 C ATOM 1094 NE ARG A 69 -7.376 1.321 -9.435 1.00 0.00 N ATOM 1095 CZ ARG A 69 -7.696 1.821 -10.638 1.00 0.00 C ATOM 1096 NH1 ARG A 69 -6.820 1.796 -11.639 1.00 0.00 N ATOM 1097 NH2 ARG A 69 -8.894 2.346 -10.833 1.00 0.00 N ATOM 0 H ARG A 69 -5.716 -1.394 -5.161 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.075 1.145 -4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.394 1.507 -7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.708 1.582 -6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.250 -0.566 -7.529 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.954 -0.866 -7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.296 1.362 -9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.862 -0.084 -9.879 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.065 1.422 -8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.894 1.394 -11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.075 2.179 -12.549 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.571 2.370 -10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.141 2.727 -11.746 1.00 0.00 H new ATOM 1111 N TYR A 70 -9.268 0.083 -5.106 1.00 0.00 N ATOM 1112 CA TYR A 70 -10.533 -0.579 -5.207 1.00 0.00 C ATOM 1113 C TYR A 70 -10.988 -0.344 -6.622 1.00 0.00 C ATOM 1114 O TYR A 70 -11.264 0.796 -7.006 1.00 0.00 O ATOM 1115 CB TYR A 70 -11.486 0.073 -4.188 1.00 0.00 C ATOM 1116 CG TYR A 70 -12.860 -0.540 -4.011 1.00 0.00 C ATOM 1117 CD1 TYR A 70 -13.057 -1.916 -3.895 1.00 0.00 C ATOM 1118 CD2 TYR A 70 -13.954 0.283 -3.885 1.00 0.00 C ATOM 1119 CE1 TYR A 70 -14.325 -2.438 -3.659 1.00 0.00 C ATOM 1120 CE2 TYR A 70 -15.209 -0.225 -3.664 1.00 0.00 C ATOM 1121 CZ TYR A 70 -15.398 -1.576 -3.546 1.00 0.00 C ATOM 1122 OH TYR A 70 -16.673 -2.064 -3.303 1.00 0.00 O ATOM 0 H TYR A 70 -9.322 1.055 -4.800 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.495 -1.647 -4.994 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.991 0.070 -3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.619 1.116 -4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.214 -2.585 -3.990 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -13.823 1.352 -3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.468 -3.504 -3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.053 0.444 -3.583 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.216 -1.980 -4.115 1.00 0.00 H new ATOM 1132 N THR A 71 -11.032 -1.387 -7.404 1.00 0.00 N ATOM 1133 CA THR A 71 -11.355 -1.241 -8.793 1.00 0.00 C ATOM 1134 C THR A 71 -12.826 -1.420 -9.032 1.00 0.00 C ATOM 1135 O THR A 71 -13.384 -2.451 -8.675 1.00 0.00 O ATOM 1136 CB THR A 71 -10.518 -2.205 -9.677 1.00 0.00 C ATOM 1137 OG1 THR A 71 -10.590 -3.559 -9.172 1.00 0.00 O ATOM 1138 CG2 THR A 71 -9.065 -1.763 -9.715 1.00 0.00 C ATOM 0 H THR A 71 -10.849 -2.344 -7.103 1.00 0.00 H new ATOM 0 HA THR A 71 -11.094 -0.223 -9.084 1.00 0.00 H new ATOM 0 HB THR A 71 -10.933 -2.178 -10.685 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.971 -3.661 -8.419 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.492 -2.449 -10.339 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.001 -0.757 -10.129 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.657 -1.765 -8.704 1.00 0.00 H new ATOM 1146 N LEU A 72 -13.477 -0.393 -9.527 1.00 0.00 N ATOM 1147 CA LEU A 72 -14.879 -0.487 -9.870 1.00 0.00 C ATOM 1148 C LEU A 72 -15.076 -0.174 -11.341 1.00 0.00 C ATOM 1149 O LEU A 72 -14.399 0.711 -11.872 1.00 0.00 O ATOM 1150 CB LEU A 72 -15.761 0.429 -9.018 1.00 0.00 C ATOM 1151 CG LEU A 72 -15.710 0.235 -7.506 1.00 0.00 C ATOM 1152 CD1 LEU A 72 -16.819 0.993 -6.865 1.00 0.00 C ATOM 1153 CD2 LEU A 72 -15.825 -1.219 -7.129 1.00 0.00 C ATOM 0 H LEU A 72 -13.058 0.520 -9.702 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.189 -1.511 -9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.486 1.461 -9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -16.794 0.299 -9.341 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.746 0.605 -7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -16.779 0.852 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -16.717 2.053 -7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -17.774 0.630 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -15.785 -1.318 -6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.772 -1.616 -7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.002 -1.777 -7.575 1.00 0.00 H new ATOM 1165 N PRO A 73 -15.977 -0.883 -12.025 1.00 0.00 N ATOM 1166 CA PRO A 73 -16.752 -1.972 -11.443 1.00 0.00 C ATOM 1167 C PRO A 73 -15.953 -3.273 -11.461 1.00 0.00 C ATOM 1168 O PRO A 73 -15.448 -3.688 -12.509 1.00 0.00 O ATOM 1169 CB PRO A 73 -17.983 -2.073 -12.363 1.00 0.00 C ATOM 1170 CG PRO A 73 -17.787 -1.042 -13.439 1.00 0.00 C ATOM 1171 CD PRO A 73 -16.334 -0.676 -13.423 1.00 0.00 C ATOM 0 HA PRO A 73 -17.016 -1.796 -10.400 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.068 -3.072 -12.791 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.901 -1.886 -11.807 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.076 -1.438 -14.412 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.409 -0.166 -13.254 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -15.748 -1.308 -14.090 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.171 0.355 -13.736 1.00 0.00 H new ATOM 1179 N ASP A 74 -15.844 -3.893 -10.304 1.00 0.00 N ATOM 1180 CA ASP A 74 -15.038 -5.110 -10.098 1.00 0.00 C ATOM 1181 C ASP A 74 -15.194 -5.513 -8.656 1.00 0.00 C ATOM 1182 O ASP A 74 -15.363 -6.684 -8.335 1.00 0.00 O ATOM 1183 CB ASP A 74 -13.558 -4.830 -10.410 1.00 0.00 C ATOM 1184 CG ASP A 74 -12.633 -5.996 -10.194 1.00 0.00 C ATOM 1185 OD1 ASP A 74 -12.211 -6.235 -9.062 1.00 0.00 O ATOM 1186 OD2 ASP A 74 -12.241 -6.638 -11.184 1.00 0.00 O ATOM 0 H ASP A 74 -16.315 -3.572 -9.458 1.00 0.00 H new ATOM 0 HA ASP A 74 -15.374 -5.907 -10.761 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -13.475 -4.507 -11.448 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -13.222 -3.999 -9.790 1.00 0.00 H new ATOM 1191 N MET A 75 -15.139 -4.496 -7.788 1.00 0.00 N ATOM 1192 CA MET A 75 -15.398 -4.621 -6.340 1.00 0.00 C ATOM 1193 C MET A 75 -14.318 -5.356 -5.563 1.00 0.00 C ATOM 1194 O MET A 75 -14.491 -5.650 -4.385 1.00 0.00 O ATOM 1195 CB MET A 75 -16.793 -5.192 -6.060 1.00 0.00 C ATOM 1196 CG MET A 75 -17.922 -4.188 -6.273 1.00 0.00 C ATOM 1197 SD MET A 75 -19.568 -4.954 -6.271 1.00 0.00 S ATOM 1198 CE MET A 75 -19.461 -5.989 -7.739 1.00 0.00 C ATOM 0 H MET A 75 -14.909 -3.544 -8.073 1.00 0.00 H new ATOM 0 HA MET A 75 -15.366 -3.600 -5.960 1.00 0.00 H new ATOM 0 HB2 MET A 75 -16.959 -6.054 -6.706 1.00 0.00 H new ATOM 0 HB3 MET A 75 -16.829 -5.552 -5.032 1.00 0.00 H new ATOM 0 HG2 MET A 75 -17.879 -3.431 -5.490 1.00 0.00 H new ATOM 0 HG3 MET A 75 -17.768 -3.674 -7.222 1.00 0.00 H new ATOM 0 HE1 MET A 75 -20.464 -6.198 -8.111 1.00 0.00 H new ATOM 0 HE2 MET A 75 -18.890 -5.471 -8.509 1.00 0.00 H new ATOM 0 HE3 MET A 75 -18.964 -6.926 -7.488 1.00 0.00 H new ATOM 1208 N ASN A 76 -13.207 -5.616 -6.191 1.00 0.00 N ATOM 1209 CA ASN A 76 -12.088 -6.192 -5.493 1.00 0.00 C ATOM 1210 C ASN A 76 -10.992 -5.189 -5.318 1.00 0.00 C ATOM 1211 O ASN A 76 -10.830 -4.258 -6.135 1.00 0.00 O ATOM 1212 CB ASN A 76 -11.530 -7.436 -6.184 1.00 0.00 C ATOM 1213 CG ASN A 76 -12.311 -8.696 -5.902 1.00 0.00 C ATOM 1214 OD1 ASN A 76 -13.257 -9.041 -6.605 1.00 0.00 O ATOM 1215 ND2 ASN A 76 -11.906 -9.407 -4.879 1.00 0.00 N ATOM 0 H ASN A 76 -13.050 -5.440 -7.183 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.469 -6.497 -4.518 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.513 -7.264 -7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.497 -7.582 -5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.380 -10.279 -4.644 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.116 -9.089 -4.317 1.00 0.00 H new ATOM 1222 N TRP A 77 -10.272 -5.342 -4.243 1.00 0.00 N ATOM 1223 CA TRP A 77 -9.113 -4.554 -3.979 1.00 0.00 C ATOM 1224 C TRP A 77 -7.937 -5.290 -4.532 1.00 0.00 C ATOM 1225 O TRP A 77 -7.594 -6.392 -4.074 1.00 0.00 O ATOM 1226 CB TRP A 77 -8.925 -4.335 -2.489 1.00 0.00 C ATOM 1227 CG TRP A 77 -10.018 -3.558 -1.846 1.00 0.00 C ATOM 1228 CD1 TRP A 77 -11.240 -4.025 -1.477 1.00 0.00 C ATOM 1229 CD2 TRP A 77 -9.980 -2.176 -1.480 1.00 0.00 C ATOM 1230 NE1 TRP A 77 -11.974 -3.016 -0.919 1.00 0.00 N ATOM 1231 CE2 TRP A 77 -11.221 -1.869 -0.902 1.00 0.00 C ATOM 1232 CE3 TRP A 77 -9.014 -1.167 -1.587 1.00 0.00 C ATOM 1233 CZ2 TRP A 77 -11.530 -0.593 -0.432 1.00 0.00 C ATOM 1234 CZ3 TRP A 77 -9.320 0.096 -1.120 1.00 0.00 C ATOM 1235 CH2 TRP A 77 -10.567 0.372 -0.549 1.00 0.00 C ATOM 0 H TRP A 77 -10.481 -6.029 -3.518 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.220 -3.574 -4.443 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.846 -5.305 -1.997 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.980 -3.816 -2.325 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -11.580 -5.042 -1.606 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -12.929 -3.102 -0.571 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -8.049 -1.373 -2.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -12.492 -0.375 0.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.585 0.883 -1.197 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -10.774 1.370 -0.192 1.00 0.00 H new ATOM 1246 N LYS A 78 -7.355 -4.735 -5.522 1.00 0.00 N ATOM 1247 CA LYS A 78 -6.256 -5.353 -6.176 1.00 0.00 C ATOM 1248 C LYS A 78 -5.103 -4.442 -6.186 1.00 0.00 C ATOM 1249 O LYS A 78 -5.256 -3.215 -6.036 1.00 0.00 O ATOM 1250 CB LYS A 78 -6.626 -5.760 -7.584 1.00 0.00 C ATOM 1251 CG LYS A 78 -7.600 -6.919 -7.642 1.00 0.00 C ATOM 1252 CD LYS A 78 -8.796 -6.595 -8.530 1.00 0.00 C ATOM 1253 CE LYS A 78 -8.395 -6.227 -9.950 1.00 0.00 C ATOM 1254 NZ LYS A 78 -9.558 -5.780 -10.731 1.00 0.00 N ATOM 0 H LYS A 78 -7.625 -3.831 -5.910 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.987 -6.256 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.062 -4.904 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.720 -6.030 -8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.092 -7.805 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.945 -7.157 -6.636 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.465 -7.455 -8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.356 -5.770 -8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.644 -5.437 -9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.936 -7.088 -10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.240 -5.424 -11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.208 -6.579 -10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.050 -5.021 -10.218 1.00 0.00 H new ATOM 1268 N TRP A 79 -3.957 -5.013 -6.318 1.00 0.00 N ATOM 1269 CA TRP A 79 -2.776 -4.253 -6.342 1.00 0.00 C ATOM 1270 C TRP A 79 -2.348 -4.048 -7.776 1.00 0.00 C ATOM 1271 O TRP A 79 -2.814 -4.751 -8.685 1.00 0.00 O ATOM 1272 CB TRP A 79 -1.675 -4.928 -5.565 1.00 0.00 C ATOM 1273 CG TRP A 79 -2.038 -5.366 -4.170 1.00 0.00 C ATOM 1274 CD1 TRP A 79 -2.719 -6.483 -3.832 1.00 0.00 C ATOM 1275 CD2 TRP A 79 -1.726 -4.713 -2.938 1.00 0.00 C ATOM 1276 NE1 TRP A 79 -2.816 -6.595 -2.486 1.00 0.00 N ATOM 1277 CE2 TRP A 79 -2.237 -5.518 -1.907 1.00 0.00 C ATOM 1278 CE3 TRP A 79 -1.071 -3.538 -2.602 1.00 0.00 C ATOM 1279 CZ2 TRP A 79 -2.107 -5.188 -0.571 1.00 0.00 C ATOM 1280 CZ3 TRP A 79 -0.947 -3.208 -1.275 1.00 0.00 C ATOM 1281 CH2 TRP A 79 -1.465 -4.029 -0.274 1.00 0.00 C ATOM 0 H TRP A 79 -3.821 -6.020 -6.412 1.00 0.00 H new ATOM 0 HA TRP A 79 -2.971 -3.289 -5.871 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.342 -5.801 -6.126 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -0.827 -4.246 -5.503 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.130 -7.189 -4.538 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.256 -7.369 -1.988 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -0.666 -2.895 -3.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.501 -5.827 0.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -0.439 -2.295 -1.001 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -1.353 -3.737 0.760 1.00 0.00 H new ATOM 1292 N ILE A 80 -1.449 -3.133 -7.971 1.00 0.00 N ATOM 1293 CA ILE A 80 -0.956 -2.751 -9.298 1.00 0.00 C ATOM 1294 C ILE A 80 -0.189 -3.872 -10.013 1.00 0.00 C ATOM 1295 O ILE A 80 -0.164 -3.931 -11.239 1.00 0.00 O ATOM 1296 CB ILE A 80 -0.020 -1.544 -9.194 1.00 0.00 C ATOM 1297 CG1 ILE A 80 1.184 -1.894 -8.294 1.00 0.00 C ATOM 1298 CG2 ILE A 80 -0.787 -0.365 -8.626 1.00 0.00 C ATOM 1299 CD1 ILE A 80 2.317 -0.927 -8.377 1.00 0.00 C ATOM 0 H ILE A 80 -1.017 -2.609 -7.210 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.847 -2.518 -9.881 1.00 0.00 H new ATOM 0 HB ILE A 80 0.355 -1.280 -10.183 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.845 -1.950 -7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.548 -2.885 -8.564 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.125 0.497 -8.550 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.623 -0.124 -9.283 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.166 -0.620 -7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.120 -1.249 -7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.687 -0.887 -9.401 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.973 0.063 -8.077 1.00 0.00 H new ATOM 1311 N ASN A 81 0.423 -4.750 -9.249 1.00 0.00 N ATOM 1312 CA ASN A 81 1.284 -5.781 -9.814 1.00 0.00 C ATOM 1313 C ASN A 81 0.504 -7.069 -10.069 1.00 0.00 C ATOM 1314 O ASN A 81 1.078 -8.110 -10.404 1.00 0.00 O ATOM 1315 CB ASN A 81 2.495 -6.052 -8.893 1.00 0.00 C ATOM 1316 CG ASN A 81 2.115 -6.721 -7.593 1.00 0.00 C ATOM 1317 OD1 ASN A 81 0.985 -6.580 -7.125 1.00 0.00 O ATOM 1318 ND2 ASN A 81 3.052 -7.385 -6.968 1.00 0.00 N ATOM 0 H ASN A 81 0.344 -4.775 -8.232 1.00 0.00 H new ATOM 0 HA ASN A 81 1.657 -5.416 -10.771 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.212 -6.680 -9.422 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.997 -5.109 -8.676 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.858 -7.808 -6.060 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.977 -7.480 -7.388 1.00 0.00 H new ATOM 1325 N GLY A 82 -0.806 -7.000 -9.902 1.00 0.00 N ATOM 1326 CA GLY A 82 -1.633 -8.166 -10.113 1.00 0.00 C ATOM 1327 C GLY A 82 -1.805 -8.973 -8.846 1.00 0.00 C ATOM 1328 O GLY A 82 -2.316 -10.097 -8.875 1.00 0.00 O ATOM 0 H GLY A 82 -1.311 -6.158 -9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.611 -7.856 -10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.186 -8.793 -10.885 1.00 0.00 H new ATOM 1332 N SER A 83 -1.349 -8.425 -7.737 1.00 0.00 N ATOM 1333 CA SER A 83 -1.502 -9.081 -6.475 1.00 0.00 C ATOM 1334 C SER A 83 -2.945 -8.963 -6.019 1.00 0.00 C ATOM 1335 O SER A 83 -3.747 -8.170 -6.556 1.00 0.00 O ATOM 1336 CB SER A 83 -0.588 -8.467 -5.416 1.00 0.00 C ATOM 1337 OG SER A 83 -0.555 -9.244 -4.238 1.00 0.00 O ATOM 0 H SER A 83 -0.870 -7.525 -7.695 1.00 0.00 H new ATOM 0 HA SER A 83 -1.228 -10.129 -6.599 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.421 -8.372 -5.817 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.932 -7.461 -5.178 1.00 0.00 H new ATOM 0 HG SER A 83 0.357 -9.567 -4.085 1.00 0.00 H new ATOM 1343 N THR A 84 -3.243 -9.690 -5.014 1.00 0.00 N ATOM 1344 CA THR A 84 -4.534 -9.772 -4.471 1.00 0.00 C ATOM 1345 C THR A 84 -4.467 -9.319 -2.995 1.00 0.00 C ATOM 1346 O THR A 84 -3.511 -9.654 -2.292 1.00 0.00 O ATOM 1347 CB THR A 84 -4.970 -11.231 -4.602 1.00 0.00 C ATOM 1348 OG1 THR A 84 -4.791 -11.627 -5.974 1.00 0.00 O ATOM 1349 CG2 THR A 84 -6.400 -11.410 -4.253 1.00 0.00 C ATOM 0 H THR A 84 -2.560 -10.270 -4.527 1.00 0.00 H new ATOM 0 HA THR A 84 -5.253 -9.132 -4.983 1.00 0.00 H new ATOM 0 HB THR A 84 -4.371 -11.834 -3.920 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.208 -12.502 -6.119 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.672 -12.460 -4.359 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.565 -11.094 -3.223 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.016 -10.807 -4.921 1.00 0.00 H new ATOM 1357 N LEU A 85 -5.411 -8.477 -2.582 1.00 0.00 N ATOM 1358 CA LEU A 85 -5.478 -7.955 -1.202 1.00 0.00 C ATOM 1359 C LEU A 85 -5.483 -9.047 -0.155 1.00 0.00 C ATOM 1360 O LEU A 85 -6.360 -9.904 -0.143 1.00 0.00 O ATOM 1361 CB LEU A 85 -6.733 -7.068 -0.991 1.00 0.00 C ATOM 1362 CG LEU A 85 -7.037 -6.652 0.479 1.00 0.00 C ATOM 1363 CD1 LEU A 85 -5.927 -5.820 1.061 1.00 0.00 C ATOM 1364 CD2 LEU A 85 -8.354 -5.909 0.598 1.00 0.00 C ATOM 0 H LEU A 85 -6.155 -8.132 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.573 -7.361 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.618 -6.163 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.600 -7.600 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.114 -7.577 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.175 -5.549 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.000 -6.393 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.801 -4.915 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -8.526 -5.638 1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.318 -5.006 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.165 -6.549 0.251 1.00 0.00 H new ATOM 1376 N ASN A 86 -4.494 -9.005 0.725 1.00 0.00 N ATOM 1377 CA ASN A 86 -4.477 -9.872 1.872 1.00 0.00 C ATOM 1378 C ASN A 86 -5.384 -9.237 2.918 1.00 0.00 C ATOM 1379 O ASN A 86 -4.944 -8.476 3.796 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.042 -10.090 2.430 1.00 0.00 C ATOM 1381 CG ASN A 86 -2.974 -11.096 3.589 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -3.920 -11.251 4.373 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -1.857 -11.767 3.721 1.00 0.00 N ATOM 0 H ASN A 86 -3.695 -8.375 0.658 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.833 -10.864 1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.397 -10.436 1.622 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.644 -9.133 2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.751 -12.436 4.483 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.093 -11.620 3.061 1.00 0.00 H new ATOM 1390 N SER A 87 -6.657 -9.486 2.761 1.00 0.00 N ATOM 1391 CA SER A 87 -7.687 -8.940 3.598 1.00 0.00 C ATOM 1392 C SER A 87 -7.695 -9.537 5.005 1.00 0.00 C ATOM 1393 O SER A 87 -8.474 -9.126 5.860 1.00 0.00 O ATOM 1394 CB SER A 87 -9.016 -9.123 2.888 1.00 0.00 C ATOM 1395 OG SER A 87 -9.081 -10.427 2.283 1.00 0.00 O ATOM 0 H SER A 87 -7.015 -10.093 2.024 1.00 0.00 H new ATOM 0 HA SER A 87 -7.493 -7.879 3.753 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.835 -9.002 3.597 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.138 -8.354 2.125 1.00 0.00 H new ATOM 0 HG SER A 87 -9.943 -10.535 1.829 1.00 0.00 H new ATOM 1401 N ASP A 88 -6.857 -10.518 5.231 1.00 0.00 N ATOM 1402 CA ASP A 88 -6.731 -11.118 6.536 1.00 0.00 C ATOM 1403 C ASP A 88 -5.899 -10.226 7.431 1.00 0.00 C ATOM 1404 O ASP A 88 -6.310 -9.877 8.543 1.00 0.00 O ATOM 1405 CB ASP A 88 -6.108 -12.514 6.459 1.00 0.00 C ATOM 1406 CG ASP A 88 -6.958 -13.503 5.702 1.00 0.00 C ATOM 1407 OD1 ASP A 88 -7.804 -14.177 6.324 1.00 0.00 O ATOM 1408 OD2 ASP A 88 -6.777 -13.653 4.469 1.00 0.00 O ATOM 0 H ASP A 88 -6.246 -10.921 4.520 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.732 -11.226 6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.131 -12.443 5.980 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.941 -12.887 7.470 1.00 0.00 H new ATOM 1413 N VAL A 89 -4.742 -9.813 6.932 1.00 0.00 N ATOM 1414 CA VAL A 89 -3.830 -9.001 7.730 1.00 0.00 C ATOM 1415 C VAL A 89 -4.208 -7.516 7.712 1.00 0.00 C ATOM 1416 O VAL A 89 -3.951 -6.794 8.679 1.00 0.00 O ATOM 1417 CB VAL A 89 -2.333 -9.149 7.297 1.00 0.00 C ATOM 1418 CG1 VAL A 89 -1.896 -10.595 7.247 1.00 0.00 C ATOM 1419 CG2 VAL A 89 -2.055 -8.488 5.976 1.00 0.00 C ATOM 0 H VAL A 89 -4.414 -10.023 5.989 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.933 -9.387 8.744 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.751 -8.639 8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.851 -10.649 6.942 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.010 -11.044 8.234 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.512 -11.137 6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.004 -8.618 5.718 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.676 -8.942 5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.283 -7.424 6.046 1.00 0.00 H new ATOM 1429 N LEU A 90 -4.808 -7.063 6.631 1.00 0.00 N ATOM 1430 CA LEU A 90 -5.122 -5.658 6.494 1.00 0.00 C ATOM 1431 C LEU A 90 -6.553 -5.402 6.853 1.00 0.00 C ATOM 1432 O LEU A 90 -7.440 -6.192 6.494 1.00 0.00 O ATOM 1433 CB LEU A 90 -4.871 -5.164 5.058 1.00 0.00 C ATOM 1434 CG LEU A 90 -3.474 -5.409 4.479 1.00 0.00 C ATOM 1435 CD1 LEU A 90 -3.323 -4.752 3.130 1.00 0.00 C ATOM 1436 CD2 LEU A 90 -2.417 -4.914 5.411 1.00 0.00 C ATOM 0 H LEU A 90 -5.086 -7.643 5.840 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.468 -5.113 7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.599 -5.641 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.068 -4.092 5.028 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.353 -6.485 4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.322 -4.942 2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.062 -5.161 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.475 -3.677 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.434 -5.099 4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.547 -3.844 5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.498 -5.437 6.364 1.00 0.00 H new ATOM 1448 N LYS A 91 -6.790 -4.358 7.601 1.00 0.00 N ATOM 1449 CA LYS A 91 -8.133 -3.957 7.867 1.00 0.00 C ATOM 1450 C LYS A 91 -8.526 -2.933 6.832 1.00 0.00 C ATOM 1451 O LYS A 91 -7.943 -1.874 6.730 1.00 0.00 O ATOM 1452 CB LYS A 91 -8.353 -3.504 9.341 1.00 0.00 C ATOM 1453 CG LYS A 91 -7.658 -2.218 9.815 1.00 0.00 C ATOM 1454 CD LYS A 91 -8.435 -0.918 9.474 1.00 0.00 C ATOM 1455 CE LYS A 91 -9.913 -0.944 9.895 1.00 0.00 C ATOM 1456 NZ LYS A 91 -10.106 -1.216 11.337 1.00 0.00 N ATOM 0 H LYS A 91 -6.071 -3.777 8.032 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.803 -4.812 7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.425 -3.380 9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.030 -4.317 9.991 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.515 -2.271 10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.667 -2.166 9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.944 -0.075 9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.377 -0.744 8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.371 0.014 9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.435 -1.705 9.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.123 -1.220 11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.697 -2.142 11.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.634 -0.477 11.896 1.00 0.00 H new ATOM 1470 N ILE A 92 -9.412 -3.326 6.002 1.00 0.00 N ATOM 1471 CA ILE A 92 -9.894 -2.549 4.907 1.00 0.00 C ATOM 1472 C ILE A 92 -11.387 -2.836 4.878 1.00 0.00 C ATOM 1473 O ILE A 92 -11.827 -3.817 5.486 1.00 0.00 O ATOM 1474 CB ILE A 92 -9.246 -3.115 3.594 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -7.714 -3.133 3.719 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -9.635 -2.285 2.383 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -7.014 -1.834 3.394 1.00 0.00 C ATOM 0 H ILE A 92 -9.850 -4.245 6.063 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.669 -1.486 4.992 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.618 -4.131 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.455 -3.419 4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.323 -3.909 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.170 -2.703 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -10.719 -2.297 2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.296 -1.258 2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.938 -1.960 3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.233 -1.551 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.366 -1.053 4.068 1.00 0.00 H new ATOM 1489 N THR A 93 -12.160 -2.021 4.261 1.00 0.00 N ATOM 1490 CA THR A 93 -13.547 -2.329 4.088 1.00 0.00 C ATOM 1491 C THR A 93 -13.643 -3.011 2.746 1.00 0.00 C ATOM 1492 O THR A 93 -12.977 -2.588 1.813 1.00 0.00 O ATOM 1493 CB THR A 93 -14.385 -1.058 4.124 1.00 0.00 C ATOM 1494 OG1 THR A 93 -14.042 -0.348 5.330 1.00 0.00 O ATOM 1495 CG2 THR A 93 -15.880 -1.370 4.139 1.00 0.00 C ATOM 0 H THR A 93 -11.863 -1.130 3.863 1.00 0.00 H new ATOM 0 HA THR A 93 -13.927 -2.968 4.885 1.00 0.00 H new ATOM 0 HB THR A 93 -14.179 -0.466 3.232 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.502 0.438 5.104 1.00 0.00 H new ATOM 0 HG21 THR A 93 -16.446 -0.439 4.165 1.00 0.00 H new ATOM 0 HG22 THR A 93 -16.144 -1.930 3.242 1.00 0.00 H new ATOM 0 HG23 THR A 93 -16.119 -1.964 5.021 1.00 0.00 H new ATOM 1503 N GLY A 94 -14.439 -4.033 2.639 1.00 0.00 N ATOM 1504 CA GLY A 94 -14.392 -4.813 1.472 1.00 0.00 C ATOM 1505 C GLY A 94 -15.261 -4.254 0.440 1.00 0.00 C ATOM 1506 O GLY A 94 -14.790 -3.695 -0.548 1.00 0.00 O ATOM 0 H GLY A 94 -15.114 -4.331 3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.367 -4.863 1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.699 -5.834 1.699 1.00 0.00 H new ATOM 1510 N ASP A 95 -16.517 -4.360 0.666 1.00 0.00 N ATOM 1511 CA ASP A 95 -17.445 -3.817 -0.244 1.00 0.00 C ATOM 1512 C ASP A 95 -17.879 -2.453 0.263 1.00 0.00 C ATOM 1513 O ASP A 95 -18.374 -2.318 1.387 1.00 0.00 O ATOM 1514 CB ASP A 95 -18.623 -4.774 -0.515 1.00 0.00 C ATOM 1515 CG ASP A 95 -19.512 -5.027 0.684 1.00 0.00 C ATOM 1516 OD1 ASP A 95 -19.112 -5.785 1.601 1.00 0.00 O ATOM 1517 OD2 ASP A 95 -20.619 -4.472 0.740 1.00 0.00 O ATOM 0 H ASP A 95 -16.925 -4.821 1.479 1.00 0.00 H new ATOM 0 HA ASP A 95 -16.972 -3.686 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -19.230 -4.364 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -18.228 -5.727 -0.866 1.00 0.00 H new ATOM 1522 N THR A 96 -17.633 -1.439 -0.514 1.00 0.00 N ATOM 1523 CA THR A 96 -17.917 -0.095 -0.054 1.00 0.00 C ATOM 1524 C THR A 96 -18.419 0.823 -1.179 1.00 0.00 C ATOM 1525 O THR A 96 -19.124 1.800 -0.914 1.00 0.00 O ATOM 1526 CB THR A 96 -16.660 0.520 0.672 1.00 0.00 C ATOM 1527 OG1 THR A 96 -16.957 1.809 1.232 1.00 0.00 O ATOM 1528 CG2 THR A 96 -15.456 0.632 -0.270 1.00 0.00 C ATOM 0 H THR A 96 -17.243 -1.505 -1.454 1.00 0.00 H new ATOM 0 HA THR A 96 -18.732 -0.168 0.666 1.00 0.00 H new ATOM 0 HB THR A 96 -16.402 -0.164 1.480 1.00 0.00 H new ATOM 0 HG1 THR A 96 -16.710 2.509 0.592 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.611 1.060 0.269 1.00 0.00 H new ATOM 0 HG22 THR A 96 -15.188 -0.359 -0.637 1.00 0.00 H new ATOM 0 HG23 THR A 96 -15.712 1.274 -1.113 1.00 0.00 H new ATOM 1536 N GLU A 97 -18.097 0.477 -2.422 1.00 0.00 N ATOM 1537 CA GLU A 97 -18.438 1.278 -3.596 1.00 0.00 C ATOM 1538 C GLU A 97 -17.880 2.690 -3.523 1.00 0.00 C ATOM 1539 O GLU A 97 -18.566 3.627 -3.107 1.00 0.00 O ATOM 1540 CB GLU A 97 -19.934 1.270 -3.901 1.00 0.00 C ATOM 1541 CG GLU A 97 -20.454 -0.112 -4.221 1.00 0.00 C ATOM 1542 CD GLU A 97 -19.632 -0.786 -5.292 1.00 0.00 C ATOM 1543 OE1 GLU A 97 -18.622 -1.435 -4.943 1.00 0.00 O ATOM 1544 OE2 GLU A 97 -19.980 -0.673 -6.490 1.00 0.00 O ATOM 0 H GLU A 97 -17.586 -0.377 -2.646 1.00 0.00 H new ATOM 0 HA GLU A 97 -17.947 0.792 -4.439 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -20.478 1.670 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -20.133 1.933 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.445 -0.722 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -21.491 -0.043 -4.548 1.00 0.00 H new ATOM 1551 N ASN A 98 -16.624 2.824 -3.899 1.00 0.00 N ATOM 1552 CA ASN A 98 -15.910 4.081 -3.833 1.00 0.00 C ATOM 1553 C ASN A 98 -14.860 4.130 -4.903 1.00 0.00 C ATOM 1554 O ASN A 98 -14.539 3.118 -5.515 1.00 0.00 O ATOM 1555 CB ASN A 98 -15.202 4.261 -2.478 1.00 0.00 C ATOM 1556 CG ASN A 98 -16.108 4.593 -1.322 1.00 0.00 C ATOM 1557 OD1 ASN A 98 -16.616 3.711 -0.636 1.00 0.00 O ATOM 1558 ND2 ASN A 98 -16.306 5.852 -1.088 1.00 0.00 N ATOM 0 H ASN A 98 -16.065 2.053 -4.263 1.00 0.00 H new ATOM 0 HA ASN A 98 -16.645 4.874 -3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.661 3.344 -2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.459 5.053 -2.576 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -16.902 6.139 -0.311 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -15.866 6.556 -1.681 1.00 0.00 H new ATOM 1565 N ASP A 99 -14.287 5.294 -5.064 1.00 0.00 N ATOM 1566 CA ASP A 99 -13.192 5.563 -6.011 1.00 0.00 C ATOM 1567 C ASP A 99 -11.879 5.549 -5.195 1.00 0.00 C ATOM 1568 O ASP A 99 -10.854 6.136 -5.544 1.00 0.00 O ATOM 1569 CB ASP A 99 -13.468 6.943 -6.661 1.00 0.00 C ATOM 1570 CG ASP A 99 -12.439 7.408 -7.678 1.00 0.00 C ATOM 1571 OD1 ASP A 99 -12.292 6.779 -8.751 1.00 0.00 O ATOM 1572 OD2 ASP A 99 -11.814 8.465 -7.451 1.00 0.00 O ATOM 0 H ASP A 99 -14.565 6.119 -4.532 1.00 0.00 H new ATOM 0 HA ASP A 99 -13.115 4.823 -6.807 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -14.443 6.907 -7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -13.534 7.690 -5.870 1.00 0.00 H new ATOM 1577 N SER A 100 -11.939 4.800 -4.112 1.00 0.00 N ATOM 1578 CA SER A 100 -10.912 4.749 -3.126 1.00 0.00 C ATOM 1579 C SER A 100 -9.745 3.832 -3.473 1.00 0.00 C ATOM 1580 O SER A 100 -9.842 2.887 -4.281 1.00 0.00 O ATOM 1581 CB SER A 100 -11.515 4.308 -1.796 1.00 0.00 C ATOM 1582 OG SER A 100 -12.461 5.245 -1.325 1.00 0.00 O ATOM 0 H SER A 100 -12.734 4.197 -3.900 1.00 0.00 H new ATOM 0 HA SER A 100 -10.499 5.756 -3.070 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.992 3.335 -1.915 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.722 4.186 -1.058 1.00 0.00 H new ATOM 0 HG SER A 100 -12.832 4.935 -0.472 1.00 0.00 H new ATOM 1588 N CYS A 101 -8.665 4.151 -2.856 1.00 0.00 N ATOM 1589 CA CYS A 101 -7.461 3.401 -2.836 1.00 0.00 C ATOM 1590 C CYS A 101 -6.942 3.510 -1.423 1.00 0.00 C ATOM 1591 O CYS A 101 -7.300 4.462 -0.711 1.00 0.00 O ATOM 1592 CB CYS A 101 -6.487 3.936 -3.886 1.00 0.00 C ATOM 1593 SG CYS A 101 -6.663 5.665 -4.203 1.00 0.00 S ATOM 0 H CYS A 101 -8.595 5.010 -2.310 1.00 0.00 H new ATOM 0 HA CYS A 101 -7.607 2.352 -3.096 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -5.467 3.738 -3.557 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -6.633 3.388 -4.817 1.00 0.00 H new ATOM 1598 N ALA A 102 -6.168 2.568 -0.983 1.00 0.00 N ATOM 1599 CA ALA A 102 -5.811 2.540 0.409 1.00 0.00 C ATOM 1600 C ALA A 102 -4.435 3.137 0.676 1.00 0.00 C ATOM 1601 O ALA A 102 -3.537 3.107 -0.183 1.00 0.00 O ATOM 1602 CB ALA A 102 -5.995 1.139 1.007 1.00 0.00 C ATOM 0 H ALA A 102 -5.775 1.818 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.508 3.193 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.716 1.154 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.038 0.837 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.362 0.430 0.474 1.00 0.00 H new ATOM 1608 N ALA A 103 -4.291 3.675 1.861 1.00 0.00 N ATOM 1609 CA ALA A 103 -3.101 4.327 2.310 1.00 0.00 C ATOM 1610 C ALA A 103 -2.911 4.059 3.799 1.00 0.00 C ATOM 1611 O ALA A 103 -3.875 3.848 4.531 1.00 0.00 O ATOM 1612 CB ALA A 103 -3.214 5.833 2.069 1.00 0.00 C ATOM 0 H ALA A 103 -5.032 3.667 2.562 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.245 3.941 1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.305 6.326 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.349 6.022 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.070 6.226 2.618 1.00 0.00 H new ATOM 1618 N ILE A 104 -1.684 4.053 4.227 1.00 0.00 N ATOM 1619 CA ILE A 104 -1.335 3.901 5.631 1.00 0.00 C ATOM 1620 C ILE A 104 -1.579 5.248 6.307 1.00 0.00 C ATOM 1621 O ILE A 104 -1.096 6.272 5.826 1.00 0.00 O ATOM 1622 CB ILE A 104 0.185 3.539 5.768 1.00 0.00 C ATOM 1623 CG1 ILE A 104 0.514 2.113 5.270 1.00 0.00 C ATOM 1624 CG2 ILE A 104 0.719 3.759 7.194 1.00 0.00 C ATOM 1625 CD1 ILE A 104 0.142 1.005 6.235 1.00 0.00 C ATOM 0 H ILE A 104 -0.877 4.154 3.612 1.00 0.00 H new ATOM 0 HA ILE A 104 -1.931 3.110 6.086 1.00 0.00 H new ATOM 0 HB ILE A 104 0.705 4.236 5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.004 1.944 4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.582 2.052 5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.775 3.493 7.232 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.598 4.807 7.470 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.162 3.134 7.892 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.409 0.041 5.802 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.680 1.143 7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.931 1.033 6.425 1.00 0.00 H new ATOM 1637 N SER A 105 -2.343 5.255 7.372 1.00 0.00 N ATOM 1638 CA SER A 105 -2.597 6.484 8.108 1.00 0.00 C ATOM 1639 C SER A 105 -2.165 6.291 9.559 1.00 0.00 C ATOM 1640 O SER A 105 -2.592 7.014 10.464 1.00 0.00 O ATOM 1641 CB SER A 105 -4.089 6.871 8.012 1.00 0.00 C ATOM 1642 OG SER A 105 -4.357 8.134 8.631 1.00 0.00 O ATOM 0 H SER A 105 -2.802 4.428 7.754 1.00 0.00 H new ATOM 0 HA SER A 105 -2.021 7.301 7.674 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.386 6.911 6.964 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.695 6.099 8.486 1.00 0.00 H new ATOM 0 HG SER A 105 -3.855 8.200 9.470 1.00 0.00 H new ATOM 1648 N GLY A 106 -1.310 5.328 9.757 1.00 0.00 N ATOM 1649 CA GLY A 106 -0.820 4.997 11.051 1.00 0.00 C ATOM 1650 C GLY A 106 -0.475 3.555 11.061 1.00 0.00 C ATOM 1651 O GLY A 106 0.240 3.105 10.198 1.00 0.00 O ATOM 0 H GLY A 106 -0.933 4.747 9.009 1.00 0.00 H new ATOM 0 HA2 GLY A 106 0.056 5.599 11.291 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.573 5.213 11.809 1.00 0.00 H new ATOM 1655 N ASP A 107 -1.013 2.833 11.990 1.00 0.00 N ATOM 1656 CA ASP A 107 -0.835 1.379 12.060 1.00 0.00 C ATOM 1657 C ASP A 107 -1.749 0.752 11.030 1.00 0.00 C ATOM 1658 O ASP A 107 -1.423 -0.242 10.389 1.00 0.00 O ATOM 1659 CB ASP A 107 -1.286 0.901 13.442 1.00 0.00 C ATOM 1660 CG ASP A 107 -1.132 -0.602 13.738 1.00 0.00 C ATOM 1661 OD1 ASP A 107 -1.944 -1.435 13.258 1.00 0.00 O ATOM 1662 OD2 ASP A 107 -0.272 -0.963 14.563 1.00 0.00 O ATOM 0 H ASP A 107 -1.595 3.216 12.735 1.00 0.00 H new ATOM 0 HA ASP A 107 0.206 1.109 11.882 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -0.724 1.455 14.194 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -2.336 1.167 13.568 1.00 0.00 H new ATOM 1667 N LYS A 108 -2.880 1.404 10.837 1.00 0.00 N ATOM 1668 CA LYS A 108 -3.957 0.856 10.044 1.00 0.00 C ATOM 1669 C LYS A 108 -3.924 1.352 8.621 1.00 0.00 C ATOM 1670 O LYS A 108 -3.338 2.414 8.315 1.00 0.00 O ATOM 1671 CB LYS A 108 -5.320 1.217 10.657 1.00 0.00 C ATOM 1672 CG LYS A 108 -5.429 0.973 12.154 1.00 0.00 C ATOM 1673 CD LYS A 108 -5.038 -0.442 12.534 1.00 0.00 C ATOM 1674 CE LYS A 108 -4.939 -0.599 14.038 1.00 0.00 C ATOM 1675 NZ LYS A 108 -4.371 -1.908 14.403 1.00 0.00 N ATOM 0 H LYS A 108 -3.075 2.327 11.226 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.820 -0.225 10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.525 2.269 10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.095 0.640 10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.789 1.679 12.683 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.452 1.165 12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -5.774 -1.143 12.140 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.081 -0.693 12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.318 0.197 14.449 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -5.928 -0.493 14.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.379 -2.013 15.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.940 -2.665 13.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.393 -1.971 14.056 1.00 0.00 H new ATOM 1689 N VAL A 109 -4.570 0.599 7.766 1.00 0.00 N ATOM 1690 CA VAL A 109 -4.688 0.941 6.388 1.00 0.00 C ATOM 1691 C VAL A 109 -6.062 1.544 6.220 1.00 0.00 C ATOM 1692 O VAL A 109 -7.059 0.916 6.553 1.00 0.00 O ATOM 1693 CB VAL A 109 -4.595 -0.296 5.461 1.00 0.00 C ATOM 1694 CG1 VAL A 109 -4.187 0.125 4.068 1.00 0.00 C ATOM 1695 CG2 VAL A 109 -3.666 -1.365 6.017 1.00 0.00 C ATOM 0 H VAL A 109 -5.030 -0.276 8.019 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.877 1.617 6.116 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.585 -0.748 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -4.125 -0.754 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -4.927 0.817 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.214 0.616 4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -3.634 -2.212 5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.664 -0.952 6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.034 -1.698 6.988 1.00 0.00 H new ATOM 1705 N THR A 110 -6.112 2.736 5.774 1.00 0.00 N ATOM 1706 CA THR A 110 -7.343 3.427 5.602 1.00 0.00 C ATOM 1707 C THR A 110 -7.486 3.745 4.118 1.00 0.00 C ATOM 1708 O THR A 110 -6.570 3.472 3.372 1.00 0.00 O ATOM 1709 CB THR A 110 -7.326 4.685 6.489 1.00 0.00 C ATOM 1710 OG1 THR A 110 -6.140 5.437 6.205 1.00 0.00 O ATOM 1711 CG2 THR A 110 -7.278 4.277 7.960 1.00 0.00 C ATOM 0 H THR A 110 -5.288 3.277 5.511 1.00 0.00 H new ATOM 0 HA THR A 110 -8.205 2.833 5.906 1.00 0.00 H new ATOM 0 HB THR A 110 -8.221 5.275 6.290 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.353 6.393 6.197 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.266 5.170 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.156 3.678 8.200 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.377 3.692 8.146 1.00 0.00 H new ATOM 1719 N PHE A 111 -8.585 4.297 3.665 1.00 0.00 N ATOM 1720 CA PHE A 111 -8.724 4.506 2.231 1.00 0.00 C ATOM 1721 C PHE A 111 -9.458 5.788 1.865 1.00 0.00 C ATOM 1722 O PHE A 111 -10.471 6.154 2.482 1.00 0.00 O ATOM 1723 CB PHE A 111 -9.329 3.263 1.534 1.00 0.00 C ATOM 1724 CG PHE A 111 -10.607 2.769 2.137 1.00 0.00 C ATOM 1725 CD1 PHE A 111 -11.816 3.335 1.778 1.00 0.00 C ATOM 1726 CD2 PHE A 111 -10.598 1.739 3.072 1.00 0.00 C ATOM 1727 CE1 PHE A 111 -12.991 2.900 2.331 1.00 0.00 C ATOM 1728 CE2 PHE A 111 -11.772 1.302 3.624 1.00 0.00 C ATOM 1729 CZ PHE A 111 -12.972 1.886 3.255 1.00 0.00 C ATOM 0 H PHE A 111 -9.373 4.602 4.236 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.712 4.641 1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -9.506 3.501 0.485 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.596 2.457 1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -11.834 4.133 1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -9.663 1.283 3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -13.928 3.353 2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -11.762 0.501 4.348 1.00 0.00 H new ATOM 0 HZ PHE A 111 -13.896 1.542 3.696 1.00 0.00 H new ATOM 1739 N GLU A 112 -8.949 6.442 0.854 1.00 0.00 N ATOM 1740 CA GLU A 112 -9.468 7.693 0.351 1.00 0.00 C ATOM 1741 C GLU A 112 -9.365 7.714 -1.167 1.00 0.00 C ATOM 1742 O GLU A 112 -8.896 6.740 -1.762 1.00 0.00 O ATOM 1743 CB GLU A 112 -8.745 8.898 1.011 1.00 0.00 C ATOM 1744 CG GLU A 112 -7.227 8.772 1.121 1.00 0.00 C ATOM 1745 CD GLU A 112 -6.607 9.910 1.910 1.00 0.00 C ATOM 1746 OE1 GLU A 112 -6.543 11.048 1.393 1.00 0.00 O ATOM 1747 OE2 GLU A 112 -6.146 9.691 3.057 1.00 0.00 O ATOM 0 H GLU A 112 -8.134 6.109 0.339 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.522 7.783 0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -8.977 9.797 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -9.154 9.042 2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.978 7.824 1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.794 8.749 0.121 1.00 0.00 H new ATOM 1754 N SER A 113 -9.832 8.771 -1.781 1.00 0.00 N ATOM 1755 CA SER A 113 -9.802 8.918 -3.219 1.00 0.00 C ATOM 1756 C SER A 113 -8.371 9.116 -3.703 1.00 0.00 C ATOM 1757 O SER A 113 -7.671 9.973 -3.198 1.00 0.00 O ATOM 1758 CB SER A 113 -10.651 10.119 -3.576 1.00 0.00 C ATOM 1759 OG SER A 113 -11.958 9.993 -3.021 1.00 0.00 O ATOM 0 H SER A 113 -10.249 9.564 -1.294 1.00 0.00 H new ATOM 0 HA SER A 113 -10.192 8.021 -3.700 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.179 11.028 -3.205 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.718 10.214 -4.660 1.00 0.00 H new ATOM 0 HG SER A 113 -12.492 10.779 -3.260 1.00 0.00 H new ATOM 1765 N CYS A 114 -7.963 8.322 -4.697 1.00 0.00 N ATOM 1766 CA CYS A 114 -6.591 8.326 -5.296 1.00 0.00 C ATOM 1767 C CYS A 114 -6.074 9.719 -5.659 1.00 0.00 C ATOM 1768 O CYS A 114 -4.858 9.961 -5.717 1.00 0.00 O ATOM 1769 CB CYS A 114 -6.606 7.453 -6.553 1.00 0.00 C ATOM 1770 SG CYS A 114 -7.062 5.750 -6.185 1.00 0.00 S ATOM 0 H CYS A 114 -8.580 7.635 -5.130 1.00 0.00 H new ATOM 0 HA CYS A 114 -5.913 7.937 -4.537 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -7.309 7.869 -7.275 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -5.621 7.472 -7.020 1.00 0.00 H new ATOM 1775 N ASN A 115 -6.997 10.619 -5.866 1.00 0.00 N ATOM 1776 CA ASN A 115 -6.712 11.963 -6.279 1.00 0.00 C ATOM 1777 C ASN A 115 -6.290 12.889 -5.135 1.00 0.00 C ATOM 1778 O ASN A 115 -5.964 14.041 -5.398 1.00 0.00 O ATOM 1779 CB ASN A 115 -7.902 12.566 -7.038 1.00 0.00 C ATOM 1780 CG ASN A 115 -9.195 12.582 -6.229 1.00 0.00 C ATOM 1781 OD1 ASN A 115 -9.979 11.530 -6.337 1.00 0.00 O flip ATOM 1782 ND2 ASN A 115 -9.483 13.529 -5.504 1.00 0.00 N flip ATOM 0 H ASN A 115 -7.993 10.431 -5.749 1.00 0.00 H new ATOM 0 HA ASN A 115 -5.852 11.888 -6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -7.655 13.586 -7.334 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -8.063 11.999 -7.955 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -8.856 14.331 -5.440 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -10.349 13.514 -4.965 1.00 0.00 H new ATOM 1789 N SER A 116 -6.299 12.437 -3.882 1.00 0.00 N ATOM 1790 CA SER A 116 -5.810 13.296 -2.825 1.00 0.00 C ATOM 1791 C SER A 116 -4.271 13.365 -2.847 1.00 0.00 C ATOM 1792 O SER A 116 -3.592 12.416 -3.279 1.00 0.00 O ATOM 1793 CB SER A 116 -6.374 12.883 -1.458 1.00 0.00 C ATOM 1794 OG SER A 116 -6.255 11.506 -1.241 1.00 0.00 O ATOM 0 H SER A 116 -6.627 11.517 -3.589 1.00 0.00 H new ATOM 0 HA SER A 116 -6.173 14.308 -3.005 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.848 13.422 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.423 13.171 -1.396 1.00 0.00 H new ATOM 0 HG SER A 116 -6.659 11.275 -0.379 1.00 0.00 H new ATOM 1800 N ASP A 117 -3.727 14.494 -2.446 1.00 0.00 N ATOM 1801 CA ASP A 117 -2.288 14.684 -2.485 1.00 0.00 C ATOM 1802 C ASP A 117 -1.691 14.178 -1.188 1.00 0.00 C ATOM 1803 O ASP A 117 -1.747 14.854 -0.155 1.00 0.00 O ATOM 1804 CB ASP A 117 -1.957 16.163 -2.703 1.00 0.00 C ATOM 1805 CG ASP A 117 -0.538 16.400 -3.169 1.00 0.00 C ATOM 1806 OD1 ASP A 117 -0.189 15.953 -4.280 1.00 0.00 O ATOM 1807 OD2 ASP A 117 0.212 17.127 -2.488 1.00 0.00 O ATOM 0 H ASP A 117 -4.254 15.292 -2.091 1.00 0.00 H new ATOM 0 HA ASP A 117 -1.861 14.122 -3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -2.647 16.577 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -2.121 16.705 -1.772 1.00 0.00 H new ATOM 1812 N ASN A 118 -1.167 12.983 -1.229 1.00 0.00 N ATOM 1813 CA ASN A 118 -0.668 12.299 -0.041 1.00 0.00 C ATOM 1814 C ASN A 118 0.686 11.728 -0.299 1.00 0.00 C ATOM 1815 O ASN A 118 1.202 11.840 -1.363 1.00 0.00 O ATOM 1816 CB ASN A 118 -1.599 11.162 0.373 1.00 0.00 C ATOM 1817 CG ASN A 118 -2.905 11.607 0.973 1.00 0.00 C ATOM 1818 OD1 ASN A 118 -2.987 12.625 1.660 1.00 0.00 O ATOM 1819 ND2 ASN A 118 -3.922 10.850 0.724 1.00 0.00 N ATOM 0 H ASN A 118 -1.068 12.443 -2.089 1.00 0.00 H new ATOM 0 HA ASN A 118 -0.618 13.036 0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -1.808 10.545 -0.501 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -1.080 10.530 1.094 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.839 11.087 1.102 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.808 10.015 0.149 1.00 0.00 H new ATOM 1826 N ARG A 119 1.224 11.062 0.657 1.00 0.00 N ATOM 1827 CA ARG A 119 2.551 10.525 0.542 1.00 0.00 C ATOM 1828 C ARG A 119 2.400 9.110 0.057 1.00 0.00 C ATOM 1829 O ARG A 119 1.277 8.679 -0.126 1.00 0.00 O ATOM 1830 CB ARG A 119 3.269 10.552 1.893 1.00 0.00 C ATOM 1831 CG ARG A 119 3.414 11.906 2.585 1.00 0.00 C ATOM 1832 CD ARG A 119 2.097 12.448 3.078 1.00 0.00 C ATOM 1833 NE ARG A 119 2.261 13.670 3.819 1.00 0.00 N ATOM 1834 CZ ARG A 119 1.435 14.716 3.784 1.00 0.00 C ATOM 1835 NH1 ARG A 119 0.361 14.705 3.003 1.00 0.00 N ATOM 1836 NH2 ARG A 119 1.703 15.779 4.511 1.00 0.00 N ATOM 0 H ARG A 119 0.765 10.868 1.547 1.00 0.00 H new ATOM 0 HA ARG A 119 3.150 11.118 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 119 2.738 9.883 2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 119 4.267 10.137 1.752 1.00 0.00 H new ATOM 0 HG2 ARG A 119 4.100 11.809 3.426 1.00 0.00 H new ATOM 0 HG3 ARG A 119 3.859 12.619 1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 119 1.437 12.625 2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 119 1.612 11.703 3.709 1.00 0.00 H new ATOM 0 HE ARG A 119 3.080 13.742 4.423 1.00 0.00 H new ATOM 0 HH11 ARG A 119 0.161 13.891 2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -0.264 15.511 2.984 1.00 0.00 H new ATOM 0 HH21 ARG A 119 2.538 15.799 5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 119 1.076 16.583 4.489 1.00 0.00 H new ATOM 1850 N TRP A 120 3.469 8.359 -0.112 1.00 0.00 N ATOM 1851 CA TRP A 120 3.309 7.003 -0.646 1.00 0.00 C ATOM 1852 C TRP A 120 4.465 6.117 -0.242 1.00 0.00 C ATOM 1853 O TRP A 120 5.500 6.603 0.192 1.00 0.00 O ATOM 1854 CB TRP A 120 3.160 7.023 -2.188 1.00 0.00 C ATOM 1855 CG TRP A 120 4.416 7.358 -2.939 1.00 0.00 C ATOM 1856 CD1 TRP A 120 5.278 6.469 -3.491 1.00 0.00 C ATOM 1857 CD2 TRP A 120 4.950 8.657 -3.222 1.00 0.00 C ATOM 1858 NE1 TRP A 120 6.314 7.119 -4.091 1.00 0.00 N ATOM 1859 CE2 TRP A 120 6.139 8.465 -3.945 1.00 0.00 C ATOM 1860 CE3 TRP A 120 4.544 9.957 -2.937 1.00 0.00 C ATOM 1861 CZ2 TRP A 120 6.923 9.521 -4.383 1.00 0.00 C ATOM 1862 CZ3 TRP A 120 5.324 11.003 -3.376 1.00 0.00 C ATOM 1863 CH2 TRP A 120 6.501 10.778 -4.091 1.00 0.00 C ATOM 0 H TRP A 120 4.426 8.640 0.100 1.00 0.00 H new ATOM 0 HA TRP A 120 2.395 6.590 -0.219 1.00 0.00 H new ATOM 0 HB2 TRP A 120 2.807 6.046 -2.517 1.00 0.00 H new ATOM 0 HB3 TRP A 120 2.390 7.747 -2.455 1.00 0.00 H new ATOM 0 HD1 TRP A 120 5.160 5.396 -3.459 1.00 0.00 H new ATOM 0 HE1 TRP A 120 7.095 6.672 -4.572 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.636 10.142 -2.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 7.835 9.350 -4.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 5.019 12.017 -3.163 1.00 0.00 H new ATOM 0 HH2 TRP A 120 7.089 11.622 -4.419 1.00 0.00 H new ATOM 1874 N ILE A 121 4.292 4.828 -0.378 1.00 0.00 N ATOM 1875 CA ILE A 121 5.336 3.885 -0.058 1.00 0.00 C ATOM 1876 C ILE A 121 5.611 3.011 -1.267 1.00 0.00 C ATOM 1877 O ILE A 121 4.695 2.462 -1.876 1.00 0.00 O ATOM 1878 CB ILE A 121 4.961 2.999 1.171 1.00 0.00 C ATOM 1879 CG1 ILE A 121 4.612 3.904 2.358 1.00 0.00 C ATOM 1880 CG2 ILE A 121 6.117 2.039 1.537 1.00 0.00 C ATOM 1881 CD1 ILE A 121 4.153 3.187 3.599 1.00 0.00 C ATOM 0 H ILE A 121 3.428 4.402 -0.712 1.00 0.00 H new ATOM 0 HA ILE A 121 6.232 4.446 0.207 1.00 0.00 H new ATOM 0 HB ILE A 121 4.096 2.387 0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 121 5.488 4.503 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.830 4.597 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 121 5.829 1.434 2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 121 6.331 1.388 0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 121 7.007 2.618 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.931 3.915 4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 121 3.255 2.610 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 121 4.939 2.515 3.943 1.00 0.00 H new ATOM 1893 N CYS A 122 6.848 2.922 -1.629 1.00 0.00 N ATOM 1894 CA CYS A 122 7.266 2.083 -2.721 1.00 0.00 C ATOM 1895 C CYS A 122 7.934 0.871 -2.169 1.00 0.00 C ATOM 1896 O CYS A 122 8.583 0.944 -1.117 1.00 0.00 O ATOM 1897 CB CYS A 122 8.284 2.802 -3.595 1.00 0.00 C ATOM 1898 SG CYS A 122 7.701 4.307 -4.402 1.00 0.00 S ATOM 0 H CYS A 122 7.608 3.430 -1.177 1.00 0.00 H new ATOM 0 HA CYS A 122 6.387 1.826 -3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 122 9.149 3.053 -2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 122 8.628 2.110 -4.364 1.00 0.00 H new ATOM 1903 N GLN A 123 7.784 -0.225 -2.833 1.00 0.00 N ATOM 1904 CA GLN A 123 8.524 -1.377 -2.499 1.00 0.00 C ATOM 1905 C GLN A 123 9.237 -1.802 -3.756 1.00 0.00 C ATOM 1906 O GLN A 123 8.802 -1.500 -4.842 1.00 0.00 O ATOM 1907 CB GLN A 123 7.662 -2.544 -1.987 1.00 0.00 C ATOM 1908 CG GLN A 123 6.952 -3.325 -3.079 1.00 0.00 C ATOM 1909 CD GLN A 123 6.365 -4.616 -2.585 1.00 0.00 C ATOM 1910 OE1 GLN A 123 5.953 -4.723 -1.453 1.00 0.00 O ATOM 1911 NE2 GLN A 123 6.353 -5.617 -3.430 1.00 0.00 N ATOM 0 H GLN A 123 7.145 -0.340 -3.619 1.00 0.00 H new ATOM 0 HA GLN A 123 9.201 -1.130 -1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 123 8.296 -3.227 -1.422 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.917 -2.153 -1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.159 -2.709 -3.502 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.656 -3.536 -3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.709 -5.489 -4.377 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.988 -6.524 -3.141 1.00 0.00 H new ATOM 1920 N LYS A 124 10.301 -2.455 -3.633 1.00 0.00 N ATOM 1921 CA LYS A 124 10.945 -2.965 -4.777 1.00 0.00 C ATOM 1922 C LYS A 124 10.724 -4.437 -4.697 1.00 0.00 C ATOM 1923 O LYS A 124 11.106 -5.080 -3.715 1.00 0.00 O ATOM 1924 CB LYS A 124 12.407 -2.580 -4.775 1.00 0.00 C ATOM 1925 CG LYS A 124 13.018 -2.438 -6.155 1.00 0.00 C ATOM 1926 CD LYS A 124 14.402 -1.870 -6.027 1.00 0.00 C ATOM 1927 CE LYS A 124 15.018 -1.434 -7.349 1.00 0.00 C ATOM 1928 NZ LYS A 124 14.979 -2.475 -8.407 1.00 0.00 N ATOM 0 H LYS A 124 10.762 -2.659 -2.746 1.00 0.00 H new ATOM 0 HA LYS A 124 10.555 -2.565 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.521 -1.636 -4.241 1.00 0.00 H new ATOM 0 HB3 LYS A 124 12.967 -3.331 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.055 -3.408 -6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.401 -1.787 -6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.371 -1.014 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 124 15.049 -2.616 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 124 14.495 -0.547 -7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 124 16.055 -1.144 -7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.732 -2.293 -9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 15.122 -3.412 -7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.055 -2.450 -8.884 1.00 0.00 H new ATOM 1942 N GLU A 125 10.005 -4.935 -5.660 1.00 0.00 N ATOM 1943 CA GLU A 125 9.518 -6.275 -5.634 1.00 0.00 C ATOM 1944 C GLU A 125 10.603 -7.305 -5.828 1.00 0.00 C ATOM 1945 O GLU A 125 11.246 -7.392 -6.890 1.00 0.00 O ATOM 1946 CB GLU A 125 8.407 -6.439 -6.667 1.00 0.00 C ATOM 1947 CG GLU A 125 7.743 -7.796 -6.680 1.00 0.00 C ATOM 1948 CD GLU A 125 6.685 -7.911 -7.742 1.00 0.00 C ATOM 1949 OE1 GLU A 125 5.670 -7.209 -7.671 1.00 0.00 O ATOM 1950 OE2 GLU A 125 6.861 -8.709 -8.679 1.00 0.00 O ATOM 0 H GLU A 125 9.739 -4.412 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 125 9.116 -6.456 -4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.646 -5.680 -6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 125 8.820 -6.244 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 125 8.499 -8.565 -6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.296 -7.987 -5.704 1.00 0.00 H new ATOM 1957 N LEU A 126 10.822 -8.042 -4.785 1.00 0.00 N ATOM 1958 CA LEU A 126 11.666 -9.199 -4.816 1.00 0.00 C ATOM 1959 C LEU A 126 10.758 -10.396 -5.101 1.00 0.00 C ATOM 1960 O LEU A 126 11.098 -11.269 -5.883 1.00 0.00 O ATOM 1961 CB LEU A 126 12.465 -9.338 -3.475 1.00 0.00 C ATOM 1962 CG LEU A 126 13.816 -8.578 -3.327 1.00 0.00 C ATOM 1963 CD1 LEU A 126 13.877 -7.292 -4.100 1.00 0.00 C ATOM 1964 CD2 LEU A 126 14.106 -8.291 -1.864 1.00 0.00 C ATOM 0 H LEU A 126 10.412 -7.855 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 126 12.425 -9.127 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 126 11.812 -9.011 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 126 12.663 -10.398 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 126 14.572 -9.241 -3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 126 14.848 -6.821 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 126 13.737 -7.498 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.090 -6.622 -3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 126 15.054 -7.759 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 126 13.307 -7.677 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 126 14.166 -9.230 -1.314 1.00 0.00 H new ATOM 1976 N TYR A 127 9.553 -10.375 -4.529 1.00 0.00 N ATOM 1977 CA TYR A 127 8.553 -11.432 -4.740 1.00 0.00 C ATOM 1978 C TYR A 127 7.140 -10.857 -4.726 1.00 0.00 C ATOM 1979 O TYR A 127 6.931 -9.718 -4.304 1.00 0.00 O ATOM 1980 CB TYR A 127 8.644 -12.543 -3.689 1.00 0.00 C ATOM 1981 CG TYR A 127 9.823 -13.479 -3.823 1.00 0.00 C ATOM 1982 CD1 TYR A 127 9.720 -14.639 -4.573 1.00 0.00 C ATOM 1983 CD2 TYR A 127 11.017 -13.228 -3.180 1.00 0.00 C ATOM 1984 CE1 TYR A 127 10.778 -15.511 -4.680 1.00 0.00 C ATOM 1985 CE2 TYR A 127 12.067 -14.094 -3.274 1.00 0.00 C ATOM 1986 CZ TYR A 127 11.947 -15.234 -4.024 1.00 0.00 C ATOM 1987 OH TYR A 127 13.001 -16.105 -4.112 1.00 0.00 O ATOM 0 H TYR A 127 9.240 -9.629 -3.908 1.00 0.00 H new ATOM 0 HA TYR A 127 8.770 -11.864 -5.717 1.00 0.00 H new ATOM 0 HB2 TYR A 127 8.681 -12.082 -2.702 1.00 0.00 H new ATOM 0 HB3 TYR A 127 7.729 -13.133 -3.731 1.00 0.00 H new ATOM 0 HD1 TYR A 127 8.794 -14.862 -5.082 1.00 0.00 H new ATOM 0 HD2 TYR A 127 11.123 -12.329 -2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 127 10.687 -16.407 -5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 127 12.991 -13.881 -2.758 1.00 0.00 H new ATOM 0 HH TYR A 127 13.755 -15.760 -3.589 1.00 0.00 H new ATOM 1997 N HIS A 128 6.180 -11.664 -5.164 1.00 0.00 N ATOM 1998 CA HIS A 128 4.767 -11.289 -5.229 1.00 0.00 C ATOM 1999 C HIS A 128 3.911 -12.504 -4.903 1.00 0.00 C ATOM 2000 O HIS A 128 4.339 -13.626 -5.150 1.00 0.00 O ATOM 2001 CB HIS A 128 4.387 -10.673 -6.609 1.00 0.00 C ATOM 2002 CG HIS A 128 4.782 -11.487 -7.824 1.00 0.00 C ATOM 2003 ND1 HIS A 128 5.813 -11.125 -8.653 1.00 0.00 N ATOM 2004 CD2 HIS A 128 4.280 -12.633 -8.343 1.00 0.00 C ATOM 2005 CE1 HIS A 128 5.936 -12.003 -9.613 1.00 0.00 C ATOM 2006 NE2 HIS A 128 5.017 -12.932 -9.460 1.00 0.00 N ATOM 0 H HIS A 128 6.362 -12.613 -5.490 1.00 0.00 H new ATOM 0 HA HIS A 128 4.579 -10.511 -4.489 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.308 -10.519 -6.633 1.00 0.00 H new ATOM 0 HB3 HIS A 128 4.851 -9.690 -6.687 1.00 0.00 H new ATOM 0 HD1 HIS A 128 6.396 -10.296 -8.538 1.00 0.00 H new ATOM 0 HD2 HIS A 128 3.453 -13.205 -7.950 1.00 0.00 H new ATOM 0 HE1 HIS A 128 6.672 -11.971 -10.403 1.00 0.00 H new ATOM 2015 N GLU A 129 2.713 -12.277 -4.371 1.00 0.00 N ATOM 2016 CA GLU A 129 1.834 -13.356 -3.885 1.00 0.00 C ATOM 2017 C GLU A 129 0.396 -13.106 -4.351 1.00 0.00 C ATOM 2018 O GLU A 129 0.150 -12.183 -5.128 1.00 0.00 O ATOM 2019 CB GLU A 129 1.907 -13.440 -2.347 1.00 0.00 C ATOM 2020 CG GLU A 129 3.313 -13.692 -1.842 1.00 0.00 C ATOM 2021 CD GLU A 129 3.474 -13.556 -0.355 1.00 0.00 C ATOM 2022 OE1 GLU A 129 2.868 -14.341 0.395 1.00 0.00 O ATOM 2023 OE2 GLU A 129 4.273 -12.697 0.080 1.00 0.00 O ATOM 0 H GLU A 129 2.317 -11.343 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 129 2.168 -14.308 -4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 129 1.532 -12.511 -1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 129 1.252 -14.239 -1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.617 -14.696 -2.137 1.00 0.00 H new ATOM 0 HG3 GLU A 129 3.992 -12.996 -2.334 1.00 0.00 H new ATOM 2030 N THR A 130 -0.533 -13.933 -3.916 1.00 0.00 N ATOM 2031 CA THR A 130 -1.926 -13.852 -4.342 1.00 0.00 C ATOM 2032 C THR A 130 -2.827 -14.361 -3.170 1.00 0.00 C ATOM 2033 O THR A 130 -2.316 -14.592 -2.061 1.00 0.00 O ATOM 2034 CB THR A 130 -2.086 -14.765 -5.615 1.00 0.00 C ATOM 2035 OG1 THR A 130 -0.950 -14.557 -6.488 1.00 0.00 O ATOM 2036 CG2 THR A 130 -3.339 -14.419 -6.412 1.00 0.00 C ATOM 0 H THR A 130 -0.348 -14.686 -3.253 1.00 0.00 H new ATOM 0 HA THR A 130 -2.220 -12.832 -4.590 1.00 0.00 H new ATOM 0 HB THR A 130 -2.156 -15.797 -5.271 1.00 0.00 H new ATOM 0 HG1 THR A 130 -1.040 -15.123 -7.283 1.00 0.00 H new ATOM 0 HG21 THR A 130 -3.410 -15.073 -7.281 1.00 0.00 H new ATOM 0 HG22 THR A 130 -4.219 -14.555 -5.783 1.00 0.00 H new ATOM 0 HG23 THR A 130 -3.285 -13.382 -6.742 1.00 0.00 H new