USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 749 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 83 ASN : amide:sc= -3.19! C(o=-1.9!,f=-2.3!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0.289 USER MOD Set 1.3: A 98 SER OG : rot 107:sc= 1.04 USER MOD Set 2.1: A 73 SER OG : rot -130:sc= -2.36! USER MOD Set 2.2: A 82 HIS : no HD1:sc= -2.32! C(o=-4.7!,f=-7.4!) USER MOD Set 3.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.562 F(o=-1.5!,f=-0.56) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 129:sc= 0.495 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot -15:sc= -2.99! USER MOD Single : A 34 SER OG : rot 22:sc= 0.22 USER MOD Single : A 36 ASN : amide:sc= -1.71 K(o=-1.7,f=-3.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -8.62! C(o=-9.3!,f=-8.6!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -16:sc= -2.89! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.3!) USER MOD Single : A 68 SER OG : rot -18:sc= 0.446! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00472 X(o=-0.0047,f=-0.0047) USER MOD Single : A 76 SER OG : rot 40:sc= 0.747 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= -1.24 F(o=-2.3!,f=-1.2) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 72:sc= 1.52 USER MOD Single : A 97 TYR OH : rot -113:sc= -3.06 USER MOD Single : A 100 ASN : amide:sc= -7.1! C(o=-7.1!,f=-19!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -3.96! C(o=-4.8!,f=-4!) USER MOD Single : A 109 SER OG : rot -62:sc= -4.59! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.0898 X(o=-0.09,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 31.082 3.114 -2.645 1.00 0.00 N ATOM 26 CA ARG A 8 29.645 3.015 -2.419 1.00 0.00 C ATOM 27 C ARG A 8 29.142 1.606 -2.710 1.00 0.00 C ATOM 28 O ARG A 8 29.905 0.737 -3.135 1.00 0.00 O ATOM 29 CB ARG A 8 28.903 4.027 -3.293 1.00 0.00 C ATOM 30 CG ARG A 8 29.019 5.459 -2.796 1.00 0.00 C ATOM 31 CD ARG A 8 28.177 6.410 -3.630 1.00 0.00 C ATOM 32 NE ARG A 8 28.998 7.269 -4.477 1.00 0.00 N ATOM 33 CZ ARG A 8 28.578 8.427 -4.979 1.00 0.00 C ATOM 34 NH1 ARG A 8 29.385 9.152 -5.743 1.00 0.00 N ATOM 35 NH2 ARG A 8 27.353 8.863 -4.716 1.00 0.00 N ATOM 0 HA ARG A 8 29.450 3.238 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 8 29.292 3.971 -4.310 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.849 3.751 -3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 8 28.702 5.510 -1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 8 30.062 5.773 -2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 8 27.491 5.836 -4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 8 27.567 7.028 -2.970 1.00 0.00 H new ATOM 0 HE ARG A 8 29.947 6.965 -4.696 1.00 0.00 H new ATOM 0 HH11 ARG A 8 30.328 8.821 -5.946 1.00 0.00 H new ATOM 0 HH12 ARG A 8 29.062 10.040 -6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 8 26.730 8.310 -4.127 1.00 0.00 H new ATOM 0 HH22 ARG A 8 27.034 9.751 -5.102 1.00 0.00 H new ATOM 49 N CYS A 9 27.854 1.385 -2.473 1.00 0.00 N ATOM 50 CA CYS A 9 27.245 0.082 -2.701 1.00 0.00 C ATOM 51 C CYS A 9 26.681 -0.020 -4.114 1.00 0.00 C ATOM 52 O CYS A 9 26.440 0.994 -4.771 1.00 0.00 O ATOM 53 CB CYS A 9 26.142 -0.168 -1.677 1.00 0.00 C ATOM 54 SG CYS A 9 26.752 -0.689 -0.042 1.00 0.00 S ATOM 0 H CYS A 9 27.211 2.094 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 9 28.018 -0.678 -2.588 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.555 0.743 -1.561 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.469 -0.934 -2.063 1.00 0.00 H new ATOM 59 N PRO A 10 26.471 -1.252 -4.607 1.00 0.00 N ATOM 60 CA PRO A 10 25.930 -1.485 -5.947 1.00 0.00 C ATOM 61 C PRO A 10 24.451 -1.133 -6.034 1.00 0.00 C ATOM 62 O PRO A 10 23.796 -0.917 -5.015 1.00 0.00 O ATOM 63 CB PRO A 10 26.134 -2.984 -6.155 1.00 0.00 C ATOM 64 CG PRO A 10 26.109 -3.554 -4.783 1.00 0.00 C ATOM 65 CD PRO A 10 26.728 -2.515 -3.889 1.00 0.00 C ATOM 0 HA PRO A 10 26.419 -0.868 -6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.346 -3.410 -6.777 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.081 -3.191 -6.654 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.088 -3.778 -4.472 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.668 -4.489 -4.739 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.273 -2.514 -2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.795 -2.688 -3.750 1.00 0.00 H new ATOM 73 N SER A 11 23.928 -1.087 -7.254 1.00 0.00 N ATOM 74 CA SER A 11 22.521 -0.768 -7.469 1.00 0.00 C ATOM 75 C SER A 11 21.630 -1.616 -6.564 1.00 0.00 C ATOM 76 O SER A 11 21.436 -2.806 -6.814 1.00 0.00 O ATOM 77 CB SER A 11 22.143 -1.000 -8.934 1.00 0.00 C ATOM 78 OG SER A 11 20.886 -0.419 -9.235 1.00 0.00 O ATOM 0 H SER A 11 24.456 -1.266 -8.108 1.00 0.00 H new ATOM 0 HA SER A 11 22.369 0.283 -7.223 1.00 0.00 H new ATOM 0 HB2 SER A 11 22.909 -0.574 -9.582 1.00 0.00 H new ATOM 0 HB3 SER A 11 22.111 -2.070 -9.139 1.00 0.00 H new ATOM 0 HG SER A 11 20.668 -0.580 -10.177 1.00 0.00 H new ATOM 84 N PRO A 12 21.094 -1.025 -5.482 1.00 0.00 N ATOM 85 CA PRO A 12 20.232 -1.746 -4.544 1.00 0.00 C ATOM 86 C PRO A 12 18.944 -2.223 -5.202 1.00 0.00 C ATOM 87 O PRO A 12 18.522 -1.686 -6.226 1.00 0.00 O ATOM 88 CB PRO A 12 19.927 -0.713 -3.454 1.00 0.00 C ATOM 89 CG PRO A 12 20.167 0.608 -4.097 1.00 0.00 C ATOM 90 CD PRO A 12 21.267 0.388 -5.097 1.00 0.00 C ATOM 0 HA PRO A 12 20.713 -2.647 -4.162 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.898 -0.801 -3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 12 20.572 -0.853 -2.586 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.264 0.974 -4.585 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.455 1.355 -3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.171 1.054 -5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.250 0.569 -4.661 1.00 0.00 H new ATOM 98 N ARG A 13 18.329 -3.239 -4.612 1.00 0.00 N ATOM 99 CA ARG A 13 17.078 -3.781 -5.131 1.00 0.00 C ATOM 100 C ARG A 13 16.069 -2.665 -5.348 1.00 0.00 C ATOM 101 O ARG A 13 16.365 -1.499 -5.099 1.00 0.00 O ATOM 102 CB ARG A 13 16.508 -4.827 -4.171 1.00 0.00 C ATOM 103 CG ARG A 13 15.867 -6.011 -4.875 1.00 0.00 C ATOM 104 CD ARG A 13 16.146 -7.314 -4.142 1.00 0.00 C ATOM 105 NE ARG A 13 14.963 -8.167 -4.077 1.00 0.00 N ATOM 106 CZ ARG A 13 15.011 -9.476 -3.850 1.00 0.00 C ATOM 107 NH1 ARG A 13 13.891 -10.184 -3.805 1.00 0.00 N ATOM 108 NH2 ARG A 13 16.178 -10.078 -3.668 1.00 0.00 N ATOM 0 H ARG A 13 18.675 -3.705 -3.773 1.00 0.00 H new ATOM 0 HA ARG A 13 17.282 -4.261 -6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.307 -5.188 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.767 -4.352 -3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.790 -5.855 -4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 13 16.246 -6.078 -5.895 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.951 -7.848 -4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.492 -7.095 -3.132 1.00 0.00 H new ATOM 0 HE ARG A 13 14.049 -7.735 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.991 -9.724 -3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.929 -11.188 -3.631 1.00 0.00 H new ATOM 0 HH21 ARG A 13 17.042 -9.537 -3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.212 -11.082 -3.494 1.00 0.00 H new ATOM 122 N ASP A 14 14.880 -3.023 -5.811 1.00 0.00 N ATOM 123 CA ASP A 14 13.854 -2.026 -6.094 1.00 0.00 C ATOM 124 C ASP A 14 12.446 -2.479 -5.690 1.00 0.00 C ATOM 125 O ASP A 14 11.506 -1.693 -5.774 1.00 0.00 O ATOM 126 CB ASP A 14 13.869 -1.702 -7.583 1.00 0.00 C ATOM 127 CG ASP A 14 14.408 -0.316 -7.874 1.00 0.00 C ATOM 128 OD1 ASP A 14 15.570 -0.041 -7.506 1.00 0.00 O ATOM 129 OD2 ASP A 14 13.670 0.495 -8.471 1.00 0.00 O ATOM 0 H ASP A 14 14.602 -3.986 -5.998 1.00 0.00 H new ATOM 0 HA ASP A 14 14.090 -1.145 -5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.477 -2.441 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.857 -1.784 -7.979 1.00 0.00 H new ATOM 134 N ILE A 15 12.305 -3.745 -5.291 1.00 0.00 N ATOM 135 CA ILE A 15 11.009 -4.324 -4.919 1.00 0.00 C ATOM 136 C ILE A 15 9.991 -4.203 -6.055 1.00 0.00 C ATOM 137 O ILE A 15 9.967 -3.215 -6.787 1.00 0.00 O ATOM 138 CB ILE A 15 10.432 -3.726 -3.612 1.00 0.00 C ATOM 139 CG1 ILE A 15 9.353 -4.653 -3.053 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.867 -2.327 -3.815 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.969 -4.338 -1.625 1.00 0.00 C ATOM 0 H ILE A 15 13.085 -4.399 -5.216 1.00 0.00 H new ATOM 0 HA ILE A 15 11.199 -5.381 -4.732 1.00 0.00 H new ATOM 0 HB ILE A 15 11.253 -3.640 -2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.466 -4.586 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.706 -5.683 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.475 -1.952 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.656 -1.664 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.065 -2.362 -4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.199 -5.035 -1.293 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.845 -4.433 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.586 -3.319 -1.568 1.00 0.00 H new ATOM 153 N ASP A 16 9.170 -5.236 -6.214 1.00 0.00 N ATOM 154 CA ASP A 16 8.178 -5.267 -7.284 1.00 0.00 C ATOM 155 C ASP A 16 6.928 -4.475 -6.914 1.00 0.00 C ATOM 156 O ASP A 16 6.480 -3.617 -7.675 1.00 0.00 O ATOM 157 CB ASP A 16 7.798 -6.714 -7.606 1.00 0.00 C ATOM 158 CG ASP A 16 8.735 -7.349 -8.614 1.00 0.00 C ATOM 159 OD1 ASP A 16 8.420 -7.314 -9.822 1.00 0.00 O ATOM 160 OD2 ASP A 16 9.784 -7.882 -8.195 1.00 0.00 O ATOM 0 H ASP A 16 9.172 -6.062 -5.616 1.00 0.00 H new ATOM 0 HA ASP A 16 8.624 -4.802 -8.163 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.805 -7.301 -6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.780 -6.741 -7.994 1.00 0.00 H new ATOM 165 N ASN A 17 6.355 -4.781 -5.755 1.00 0.00 N ATOM 166 CA ASN A 17 5.134 -4.115 -5.309 1.00 0.00 C ATOM 167 C ASN A 17 5.459 -2.915 -4.432 1.00 0.00 C ATOM 168 O ASN A 17 4.846 -2.714 -3.383 1.00 0.00 O ATOM 169 CB ASN A 17 4.228 -5.092 -4.548 1.00 0.00 C ATOM 170 CG ASN A 17 4.372 -6.526 -5.026 1.00 0.00 C ATOM 171 OD1 ASN A 17 4.642 -6.697 -6.317 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 4.257 -7.468 -4.243 1.00 0.00 N flip ATOM 0 H ASN A 17 6.714 -5.483 -5.108 1.00 0.00 H new ATOM 0 HA ASN A 17 4.604 -3.764 -6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.462 -5.044 -3.485 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.190 -4.779 -4.660 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.049 -7.292 -3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.369 -8.425 -4.577 1.00 0.00 H new ATOM 179 N GLY A 18 6.419 -2.112 -4.874 1.00 0.00 N ATOM 180 CA GLY A 18 6.801 -0.934 -4.117 1.00 0.00 C ATOM 181 C GLY A 18 7.970 -0.182 -4.728 1.00 0.00 C ATOM 182 O GLY A 18 8.484 -0.560 -5.781 1.00 0.00 O ATOM 0 H GLY A 18 6.939 -2.254 -5.740 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.945 -0.264 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.060 -1.232 -3.101 1.00 0.00 H new ATOM 186 N GLN A 19 8.364 0.909 -4.075 1.00 0.00 N ATOM 187 CA GLN A 19 9.483 1.729 -4.527 1.00 0.00 C ATOM 188 C GLN A 19 10.327 2.149 -3.331 1.00 0.00 C ATOM 189 O GLN A 19 9.796 2.428 -2.257 1.00 0.00 O ATOM 190 CB GLN A 19 8.997 2.980 -5.271 1.00 0.00 C ATOM 191 CG GLN A 19 7.598 2.860 -5.852 1.00 0.00 C ATOM 192 CD GLN A 19 7.485 3.480 -7.231 1.00 0.00 C ATOM 193 OE1 GLN A 19 8.003 2.943 -8.210 1.00 0.00 O ATOM 194 NE2 GLN A 19 6.808 4.619 -7.314 1.00 0.00 N ATOM 0 H GLN A 19 7.919 1.247 -3.222 1.00 0.00 H new ATOM 0 HA GLN A 19 10.081 1.132 -5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.022 3.828 -4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.695 3.202 -6.078 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.320 1.807 -5.907 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.887 3.343 -5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.395 5.029 -6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.701 5.084 -8.215 1.00 0.00 H new ATOM 203 N LEU A 20 11.638 2.200 -3.517 1.00 0.00 N ATOM 204 CA LEU A 20 12.535 2.569 -2.433 1.00 0.00 C ATOM 205 C LEU A 20 12.838 4.063 -2.455 1.00 0.00 C ATOM 206 O LEU A 20 12.543 4.757 -3.428 1.00 0.00 O ATOM 207 CB LEU A 20 13.849 1.788 -2.495 1.00 0.00 C ATOM 208 CG LEU A 20 13.885 0.566 -3.416 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.146 -0.220 -3.138 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.668 -0.327 -3.228 1.00 0.00 C ATOM 0 H LEU A 20 12.101 1.992 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 20 12.023 2.318 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.636 2.473 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.096 1.460 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 20 13.873 0.916 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.181 -1.093 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.016 0.409 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.151 -0.543 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.736 -1.181 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.631 -0.680 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.763 0.239 -3.450 1.00 0.00 H new ATOM 222 N ASP A 21 13.457 4.539 -1.383 1.00 0.00 N ATOM 223 CA ASP A 21 13.851 5.937 -1.275 1.00 0.00 C ATOM 224 C ASP A 21 15.336 6.032 -0.950 1.00 0.00 C ATOM 225 O ASP A 21 15.726 6.014 0.219 1.00 0.00 O ATOM 226 CB ASP A 21 13.029 6.642 -0.197 1.00 0.00 C ATOM 227 CG ASP A 21 12.249 7.822 -0.743 1.00 0.00 C ATOM 228 OD1 ASP A 21 12.683 8.401 -1.761 1.00 0.00 O ATOM 229 OD2 ASP A 21 11.202 8.164 -0.155 1.00 0.00 O ATOM 0 H ASP A 21 13.699 3.972 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 21 13.663 6.430 -2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.337 5.930 0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.693 6.985 0.596 1.00 0.00 H new ATOM 234 N ILE A 22 16.159 6.123 -1.991 1.00 0.00 N ATOM 235 CA ILE A 22 17.607 6.153 -1.823 1.00 0.00 C ATOM 236 C ILE A 22 18.074 7.443 -1.157 1.00 0.00 C ATOM 237 O ILE A 22 18.095 8.506 -1.777 1.00 0.00 O ATOM 238 CB ILE A 22 18.331 5.992 -3.172 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.909 4.675 -3.837 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.847 6.054 -2.988 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.677 3.454 -3.370 1.00 0.00 C ATOM 0 H ILE A 22 15.846 6.177 -2.960 1.00 0.00 H new ATOM 0 HA ILE A 22 17.860 5.313 -1.176 1.00 0.00 H new ATOM 0 HB ILE A 22 18.046 6.817 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.848 4.513 -3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 22 18.031 4.773 -4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 22 20.336 5.938 -3.955 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.122 7.016 -2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 22 20.166 5.252 -2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 22 18.310 2.571 -3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 22 19.738 3.588 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 22 18.536 3.324 -2.297 1.00 0.00 H new ATOM 253 N GLY A 23 18.474 7.328 0.103 1.00 0.00 N ATOM 254 CA GLY A 23 18.993 8.469 0.828 1.00 0.00 C ATOM 255 C GLY A 23 20.460 8.292 1.172 1.00 0.00 C ATOM 256 O GLY A 23 20.965 8.902 2.114 1.00 0.00 O ATOM 0 H GLY A 23 18.447 6.459 0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 23 18.865 9.370 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 23 18.419 8.611 1.743 1.00 0.00 H new ATOM 260 N GLY A 24 21.138 7.438 0.408 1.00 0.00 N ATOM 261 CA GLY A 24 22.543 7.171 0.649 1.00 0.00 C ATOM 262 C GLY A 24 22.929 5.762 0.246 1.00 0.00 C ATOM 263 O GLY A 24 22.321 4.792 0.697 1.00 0.00 O ATOM 0 H GLY A 24 20.735 6.925 -0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 24 23.149 7.886 0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 24 22.764 7.320 1.706 1.00 0.00 H new ATOM 267 N VAL A 25 23.927 5.649 -0.623 1.00 0.00 N ATOM 268 CA VAL A 25 24.377 4.346 -1.097 1.00 0.00 C ATOM 269 C VAL A 25 25.845 4.113 -0.762 1.00 0.00 C ATOM 270 O VAL A 25 26.589 3.534 -1.553 1.00 0.00 O ATOM 271 CB VAL A 25 24.179 4.199 -2.617 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.701 4.235 -2.969 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.940 5.282 -3.365 1.00 0.00 C ATOM 0 H VAL A 25 24.438 6.441 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 25 23.769 3.600 -0.586 1.00 0.00 H new ATOM 0 HB VAL A 25 24.578 3.232 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.581 4.130 -4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 25 22.187 3.417 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 25 22.273 5.185 -2.647 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.787 5.160 -4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.576 6.262 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 25 26.003 5.202 -3.139 1.00 0.00 H new ATOM 283 N ASP A 26 26.255 4.564 0.418 1.00 0.00 N ATOM 284 CA ASP A 26 27.633 4.391 0.865 1.00 0.00 C ATOM 285 C ASP A 26 27.700 3.409 2.029 1.00 0.00 C ATOM 286 O ASP A 26 26.752 3.291 2.806 1.00 0.00 O ATOM 287 CB ASP A 26 28.248 5.733 1.281 1.00 0.00 C ATOM 288 CG ASP A 26 27.228 6.708 1.840 1.00 0.00 C ATOM 289 OD1 ASP A 26 26.169 6.251 2.319 1.00 0.00 O ATOM 290 OD2 ASP A 26 27.490 7.929 1.800 1.00 0.00 O ATOM 0 H ASP A 26 25.654 5.052 1.082 1.00 0.00 H new ATOM 0 HA ASP A 26 28.206 3.990 0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 26 29.020 5.555 2.030 1.00 0.00 H new ATOM 0 HB3 ASP A 26 28.738 6.184 0.418 1.00 0.00 H new ATOM 295 N PHE A 27 28.822 2.702 2.142 1.00 0.00 N ATOM 296 CA PHE A 27 29.010 1.729 3.215 1.00 0.00 C ATOM 297 C PHE A 27 28.651 2.335 4.568 1.00 0.00 C ATOM 298 O PHE A 27 29.490 2.947 5.229 1.00 0.00 O ATOM 299 CB PHE A 27 30.458 1.234 3.235 1.00 0.00 C ATOM 300 CG PHE A 27 30.759 0.281 4.357 1.00 0.00 C ATOM 301 CD1 PHE A 27 32.003 0.284 4.967 1.00 0.00 C ATOM 302 CD2 PHE A 27 29.803 -0.622 4.798 1.00 0.00 C ATOM 303 CE1 PHE A 27 32.288 -0.591 5.998 1.00 0.00 C ATOM 304 CE2 PHE A 27 30.083 -1.500 5.829 1.00 0.00 C ATOM 305 CZ PHE A 27 31.328 -1.484 6.429 1.00 0.00 C ATOM 0 H PHE A 27 29.614 2.785 1.504 1.00 0.00 H new ATOM 0 HA PHE A 27 28.346 0.885 3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 27 30.678 0.744 2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 27 31.125 2.093 3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 27 32.759 0.979 4.633 1.00 0.00 H new ATOM 0 HD2 PHE A 27 28.829 -0.640 4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 27 33.261 -0.576 6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 27 29.330 -2.197 6.165 1.00 0.00 H new ATOM 0 HZ PHE A 27 31.549 -2.169 7.234 1.00 0.00 H new ATOM 315 N GLY A 28 27.395 2.166 4.969 1.00 0.00 N ATOM 316 CA GLY A 28 26.942 2.706 6.236 1.00 0.00 C ATOM 317 C GLY A 28 25.652 3.502 6.116 1.00 0.00 C ATOM 318 O GLY A 28 25.146 4.019 7.113 1.00 0.00 O ATOM 0 H GLY A 28 26.683 1.664 4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 28 26.793 1.888 6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 28 27.720 3.347 6.651 1.00 0.00 H new ATOM 322 N SER A 29 25.117 3.609 4.900 1.00 0.00 N ATOM 323 CA SER A 29 23.876 4.341 4.677 1.00 0.00 C ATOM 324 C SER A 29 22.679 3.403 4.765 1.00 0.00 C ATOM 325 O SER A 29 22.809 2.258 5.196 1.00 0.00 O ATOM 326 CB SER A 29 23.900 5.027 3.310 1.00 0.00 C ATOM 327 OG SER A 29 24.019 6.432 3.445 1.00 0.00 O ATOM 0 H SER A 29 25.523 3.199 4.059 1.00 0.00 H new ATOM 0 HA SER A 29 23.784 5.101 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.734 4.643 2.722 1.00 0.00 H new ATOM 0 HB3 SER A 29 22.988 4.787 2.764 1.00 0.00 H new ATOM 0 HG SER A 29 24.753 6.754 2.881 1.00 0.00 H new ATOM 333 N SER A 30 21.514 3.889 4.349 1.00 0.00 N ATOM 334 CA SER A 30 20.306 3.076 4.376 1.00 0.00 C ATOM 335 C SER A 30 19.239 3.640 3.445 1.00 0.00 C ATOM 336 O SER A 30 19.133 4.853 3.261 1.00 0.00 O ATOM 337 CB SER A 30 19.757 2.979 5.801 1.00 0.00 C ATOM 338 OG SER A 30 19.987 4.178 6.520 1.00 0.00 O ATOM 0 H SER A 30 21.382 4.835 3.992 1.00 0.00 H new ATOM 0 HA SER A 30 20.571 2.078 4.027 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.688 2.771 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.229 2.144 6.320 1.00 0.00 H new ATOM 0 HG SER A 30 19.625 4.090 7.427 1.00 0.00 H new ATOM 344 N ILE A 31 18.449 2.745 2.860 1.00 0.00 N ATOM 345 CA ILE A 31 17.377 3.138 1.949 1.00 0.00 C ATOM 346 C ILE A 31 16.022 3.002 2.635 1.00 0.00 C ATOM 347 O ILE A 31 15.929 2.435 3.722 1.00 0.00 O ATOM 348 CB ILE A 31 17.360 2.288 0.654 1.00 0.00 C ATOM 349 CG1 ILE A 31 18.712 1.624 0.395 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.988 3.147 -0.534 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.676 0.612 -0.729 1.00 0.00 C ATOM 0 H ILE A 31 18.531 1.738 3.001 1.00 0.00 H new ATOM 0 HA ILE A 31 17.567 4.176 1.677 1.00 0.00 H new ATOM 0 HB ILE A 31 16.614 1.505 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 31 19.447 2.393 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 31 19.048 1.131 1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.980 2.536 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.998 3.576 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 31 17.717 3.949 -0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.667 0.179 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.964 -0.177 -0.486 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.370 1.104 -1.652 1.00 0.00 H new ATOM 363 N THR A 32 14.973 3.510 1.994 1.00 0.00 N ATOM 364 CA THR A 32 13.627 3.417 2.551 1.00 0.00 C ATOM 365 C THR A 32 12.672 2.748 1.569 1.00 0.00 C ATOM 366 O THR A 32 12.357 3.302 0.518 1.00 0.00 O ATOM 367 CB THR A 32 13.103 4.803 2.928 1.00 0.00 C ATOM 368 OG1 THR A 32 14.169 5.729 3.042 1.00 0.00 O ATOM 369 CG2 THR A 32 12.341 4.811 4.235 1.00 0.00 C ATOM 0 H THR A 32 15.028 3.987 1.094 1.00 0.00 H new ATOM 0 HA THR A 32 13.681 2.804 3.450 1.00 0.00 H new ATOM 0 HB THR A 32 12.423 5.088 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.813 6.610 3.282 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.995 5.822 4.448 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.484 4.142 4.160 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.995 4.474 5.039 1.00 0.00 H new ATOM 377 N TYR A 33 12.209 1.553 1.925 1.00 0.00 N ATOM 378 CA TYR A 33 11.301 0.800 1.066 1.00 0.00 C ATOM 379 C TYR A 33 9.847 1.181 1.316 1.00 0.00 C ATOM 380 O TYR A 33 9.441 1.420 2.453 1.00 0.00 O ATOM 381 CB TYR A 33 11.491 -0.700 1.287 1.00 0.00 C ATOM 382 CG TYR A 33 12.581 -1.287 0.427 1.00 0.00 C ATOM 383 CD1 TYR A 33 13.913 -0.976 0.659 1.00 0.00 C ATOM 384 CD2 TYR A 33 12.275 -2.122 -0.637 1.00 0.00 C ATOM 385 CE1 TYR A 33 14.915 -1.499 -0.136 1.00 0.00 C ATOM 386 CE2 TYR A 33 13.272 -2.650 -1.436 1.00 0.00 C ATOM 387 CZ TYR A 33 14.589 -2.334 -1.181 1.00 0.00 C ATOM 388 OH TYR A 33 15.583 -2.854 -1.977 1.00 0.00 O ATOM 0 H TYR A 33 12.447 1.086 2.800 1.00 0.00 H new ATOM 0 HA TYR A 33 11.540 1.048 0.032 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.726 -0.881 2.336 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.553 -1.215 1.077 1.00 0.00 H new ATOM 0 HD1 TYR A 33 14.171 -0.315 1.473 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.243 -2.363 -0.844 1.00 0.00 H new ATOM 0 HE1 TYR A 33 15.948 -1.254 0.061 1.00 0.00 H new ATOM 0 HE2 TYR A 33 13.020 -3.307 -2.256 1.00 0.00 H new ATOM 0 HH TYR A 33 16.415 -2.358 -1.828 1.00 0.00 H new ATOM 398 N SER A 34 9.066 1.225 0.240 1.00 0.00 N ATOM 399 CA SER A 34 7.650 1.563 0.333 1.00 0.00 C ATOM 400 C SER A 34 6.860 0.863 -0.767 1.00 0.00 C ATOM 401 O SER A 34 7.423 0.450 -1.778 1.00 0.00 O ATOM 402 CB SER A 34 7.454 3.077 0.233 1.00 0.00 C ATOM 403 OG SER A 34 7.650 3.702 1.489 1.00 0.00 O ATOM 0 H SER A 34 9.391 1.030 -0.707 1.00 0.00 H new ATOM 0 HA SER A 34 7.281 1.223 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.153 3.490 -0.495 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.450 3.293 -0.131 1.00 0.00 H new ATOM 0 HG SER A 34 8.192 3.121 2.063 1.00 0.00 H new ATOM 409 N CYS A 35 5.554 0.727 -0.563 1.00 0.00 N ATOM 410 CA CYS A 35 4.696 0.075 -1.543 1.00 0.00 C ATOM 411 C CYS A 35 4.391 1.013 -2.705 1.00 0.00 C ATOM 412 O CYS A 35 4.747 2.191 -2.674 1.00 0.00 O ATOM 413 CB CYS A 35 3.397 -0.387 -0.883 1.00 0.00 C ATOM 414 SG CYS A 35 3.537 -1.972 0.004 1.00 0.00 S ATOM 0 H CYS A 35 5.068 1.059 0.270 1.00 0.00 H new ATOM 0 HA CYS A 35 5.223 -0.795 -1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.064 0.380 -0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.626 -0.478 -1.648 1.00 0.00 H new ATOM 419 N ASN A 36 3.737 0.482 -3.733 1.00 0.00 N ATOM 420 CA ASN A 36 3.402 1.272 -4.913 1.00 0.00 C ATOM 421 C ASN A 36 2.234 2.214 -4.635 1.00 0.00 C ATOM 422 O ASN A 36 2.432 3.391 -4.337 1.00 0.00 O ATOM 423 CB ASN A 36 3.061 0.352 -6.087 1.00 0.00 C ATOM 424 CG ASN A 36 4.270 -0.409 -6.594 1.00 0.00 C ATOM 425 OD1 ASN A 36 4.227 -1.628 -6.755 1.00 0.00 O ATOM 426 ND2 ASN A 36 5.357 0.310 -6.851 1.00 0.00 N ATOM 0 H ASN A 36 3.429 -0.490 -3.773 1.00 0.00 H new ATOM 0 HA ASN A 36 4.273 1.875 -5.170 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.292 -0.356 -5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.641 0.945 -6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.201 -0.147 -7.197 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.348 1.319 -6.703 1.00 0.00 H new ATOM 433 N SER A 37 1.017 1.694 -4.755 1.00 0.00 N ATOM 434 CA SER A 37 -0.182 2.489 -4.524 1.00 0.00 C ATOM 435 C SER A 37 -1.315 1.613 -4.005 1.00 0.00 C ATOM 436 O SER A 37 -1.527 0.502 -4.489 1.00 0.00 O ATOM 437 CB SER A 37 -0.612 3.191 -5.813 1.00 0.00 C ATOM 438 OG SER A 37 -1.363 4.360 -5.532 1.00 0.00 O ATOM 0 H SER A 37 0.836 0.724 -5.011 1.00 0.00 H new ATOM 0 HA SER A 37 0.048 3.243 -3.771 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.269 3.453 -6.399 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.208 2.510 -6.420 1.00 0.00 H new ATOM 0 HG SER A 37 -1.624 4.791 -6.373 1.00 0.00 H new ATOM 444 N GLY A 38 -2.037 2.121 -3.015 1.00 0.00 N ATOM 445 CA GLY A 38 -3.129 1.363 -2.433 1.00 0.00 C ATOM 446 C GLY A 38 -2.657 0.046 -1.854 1.00 0.00 C ATOM 447 O GLY A 38 -3.424 -0.912 -1.758 1.00 0.00 O ATOM 0 H GLY A 38 -1.887 3.043 -2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.604 1.954 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.886 1.174 -3.194 1.00 0.00 H new ATOM 451 N TYR A 39 -1.385 0.000 -1.478 1.00 0.00 N ATOM 452 CA TYR A 39 -0.792 -1.204 -0.914 1.00 0.00 C ATOM 453 C TYR A 39 -0.354 -0.970 0.526 1.00 0.00 C ATOM 454 O TYR A 39 -0.306 0.167 0.993 1.00 0.00 O ATOM 455 CB TYR A 39 0.417 -1.634 -1.747 1.00 0.00 C ATOM 456 CG TYR A 39 0.110 -2.676 -2.796 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.001 -2.559 -3.621 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.944 -3.773 -2.972 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.276 -3.509 -4.586 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.676 -4.728 -3.932 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.435 -4.592 -4.737 1.00 0.00 C ATOM 462 OH TYR A 39 -0.707 -5.541 -5.696 1.00 0.00 O ATOM 0 H TYR A 39 -0.742 0.788 -1.555 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.546 -1.991 -0.929 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.837 -0.755 -2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.184 -2.024 -1.078 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.661 -1.712 -3.506 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.818 -3.881 -2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.145 -3.404 -5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.333 -5.577 -4.052 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.017 -6.237 -5.672 1.00 0.00 H new ATOM 472 N HIS A 40 -0.014 -2.052 1.217 1.00 0.00 N ATOM 473 CA HIS A 40 0.475 -1.957 2.584 1.00 0.00 C ATOM 474 C HIS A 40 1.715 -2.829 2.758 1.00 0.00 C ATOM 475 O HIS A 40 1.657 -4.049 2.610 1.00 0.00 O ATOM 476 CB HIS A 40 -0.622 -2.335 3.590 1.00 0.00 C ATOM 477 CG HIS A 40 -0.832 -3.808 3.771 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.118 -4.783 2.876 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 -0.796 -4.424 5.005 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 -1.232 -5.958 3.578 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 -1.037 -5.714 4.860 1.00 0.00 N flip ATOM 0 H HIS A 40 -0.068 -3.003 0.852 1.00 0.00 H new ATOM 0 HA HIS A 40 0.754 -0.922 2.784 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.375 -1.897 4.557 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.561 -1.886 3.267 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -1.228 -4.667 1.869 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -0.601 -3.928 5.944 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.447 -6.926 3.150 1.00 0.00 H new ATOM 490 N LEU A 41 2.847 -2.178 2.998 1.00 0.00 N ATOM 491 CA LEU A 41 4.118 -2.868 3.153 1.00 0.00 C ATOM 492 C LEU A 41 4.208 -3.532 4.517 1.00 0.00 C ATOM 493 O LEU A 41 3.848 -2.936 5.532 1.00 0.00 O ATOM 494 CB LEU A 41 5.272 -1.879 2.974 1.00 0.00 C ATOM 495 CG LEU A 41 6.668 -2.461 3.193 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.693 -1.709 2.359 1.00 0.00 C ATOM 497 CD2 LEU A 41 7.038 -2.419 4.667 1.00 0.00 C ATOM 0 H LEU A 41 2.908 -1.164 3.090 1.00 0.00 H new ATOM 0 HA LEU A 41 4.187 -3.643 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.222 -1.466 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.129 -1.049 3.666 1.00 0.00 H new ATOM 0 HG LEU A 41 6.663 -3.503 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.682 -2.136 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.435 -1.793 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.698 -0.658 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.035 -2.837 4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.027 -1.386 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.318 -3.003 5.240 1.00 0.00 H new ATOM 509 N ILE A 42 4.678 -4.772 4.537 1.00 0.00 N ATOM 510 CA ILE A 42 4.797 -5.507 5.788 1.00 0.00 C ATOM 511 C ILE A 42 6.254 -5.778 6.129 1.00 0.00 C ATOM 512 O ILE A 42 7.112 -5.843 5.248 1.00 0.00 O ATOM 513 CB ILE A 42 4.026 -6.844 5.763 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.820 -6.762 4.824 1.00 0.00 C ATOM 515 CG2 ILE A 42 3.568 -7.196 7.166 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.863 -5.652 5.189 1.00 0.00 C ATOM 0 H ILE A 42 4.980 -5.286 3.709 1.00 0.00 H new ATOM 0 HA ILE A 42 4.353 -4.872 6.555 1.00 0.00 H new ATOM 0 HB ILE A 42 4.694 -7.622 5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.171 -6.611 3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.288 -7.713 4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.024 -8.140 7.145 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.436 -7.292 7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.915 -6.409 7.544 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.029 -5.645 4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.486 -5.814 6.199 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.382 -4.695 5.145 1.00 0.00 H new ATOM 528 N GLY A 43 6.524 -5.924 7.418 1.00 0.00 N ATOM 529 CA GLY A 43 7.882 -6.168 7.871 1.00 0.00 C ATOM 530 C GLY A 43 8.701 -4.894 7.933 1.00 0.00 C ATOM 531 O GLY A 43 8.211 -3.856 8.377 1.00 0.00 O ATOM 0 H GLY A 43 5.827 -5.878 8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.857 -6.630 8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.366 -6.877 7.199 1.00 0.00 H new ATOM 535 N GLU A 44 9.949 -4.965 7.477 1.00 0.00 N ATOM 536 CA GLU A 44 10.822 -3.800 7.475 1.00 0.00 C ATOM 537 C GLU A 44 10.527 -2.904 6.283 1.00 0.00 C ATOM 538 O GLU A 44 9.646 -3.193 5.475 1.00 0.00 O ATOM 539 CB GLU A 44 12.289 -4.223 7.440 1.00 0.00 C ATOM 540 CG GLU A 44 12.628 -5.141 6.279 1.00 0.00 C ATOM 541 CD GLU A 44 13.569 -6.260 6.677 1.00 0.00 C ATOM 542 OE1 GLU A 44 13.521 -7.331 6.036 1.00 0.00 O ATOM 543 OE2 GLU A 44 14.356 -6.065 7.627 1.00 0.00 O ATOM 0 H GLU A 44 10.375 -5.814 7.106 1.00 0.00 H new ATOM 0 HA GLU A 44 10.632 -3.244 8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.914 -3.332 7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.536 -4.726 8.375 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.709 -5.569 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.082 -4.556 5.479 1.00 0.00 H new ATOM 550 N SER A 45 11.297 -1.832 6.165 1.00 0.00 N ATOM 551 CA SER A 45 11.125 -0.877 5.093 1.00 0.00 C ATOM 552 C SER A 45 12.397 -0.077 4.871 1.00 0.00 C ATOM 553 O SER A 45 12.351 1.054 4.389 1.00 0.00 O ATOM 554 CB SER A 45 9.998 0.075 5.446 1.00 0.00 C ATOM 555 OG SER A 45 10.070 0.472 6.804 1.00 0.00 O ATOM 0 H SER A 45 12.054 -1.605 6.810 1.00 0.00 H new ATOM 0 HA SER A 45 10.889 -1.422 4.179 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.047 0.955 4.804 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.039 -0.406 5.255 1.00 0.00 H new ATOM 0 HG SER A 45 9.333 1.086 7.005 1.00 0.00 H new ATOM 561 N LYS A 46 13.529 -0.650 5.251 1.00 0.00 N ATOM 562 CA LYS A 46 14.798 0.054 5.129 1.00 0.00 C ATOM 563 C LYS A 46 15.973 -0.902 4.918 1.00 0.00 C ATOM 564 O LYS A 46 16.213 -1.797 5.727 1.00 0.00 O ATOM 565 CB LYS A 46 15.034 0.892 6.385 1.00 0.00 C ATOM 566 CG LYS A 46 14.606 2.344 6.251 1.00 0.00 C ATOM 567 CD LYS A 46 15.712 3.293 6.682 1.00 0.00 C ATOM 568 CE LYS A 46 15.546 3.721 8.131 1.00 0.00 C ATOM 569 NZ LYS A 46 16.659 4.600 8.583 1.00 0.00 N ATOM 0 H LYS A 46 13.596 -1.590 5.642 1.00 0.00 H new ATOM 0 HA LYS A 46 14.739 0.696 4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.494 0.440 7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.094 0.859 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.332 2.549 5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.717 2.520 6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.680 2.808 6.553 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.709 4.173 6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.598 4.247 8.248 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.501 2.837 8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.507 4.869 9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.561 4.090 8.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.687 5.456 7.993 1.00 0.00 H new ATOM 583 N SER A 47 16.721 -0.671 3.841 1.00 0.00 N ATOM 584 CA SER A 47 17.916 -1.455 3.533 1.00 0.00 C ATOM 585 C SER A 47 19.137 -0.775 4.124 1.00 0.00 C ATOM 586 O SER A 47 19.187 0.450 4.177 1.00 0.00 O ATOM 587 CB SER A 47 18.092 -1.564 2.019 1.00 0.00 C ATOM 588 OG SER A 47 18.803 -2.730 1.651 1.00 0.00 O ATOM 0 H SER A 47 16.518 0.061 3.160 1.00 0.00 H new ATOM 0 HA SER A 47 17.804 -2.452 3.959 1.00 0.00 H new ATOM 0 HB2 SER A 47 17.113 -1.570 1.540 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.622 -0.685 1.651 1.00 0.00 H new ATOM 0 HG SER A 47 19.257 -3.098 2.438 1.00 0.00 H new ATOM 594 N TYR A 48 20.136 -1.544 4.554 1.00 0.00 N ATOM 595 CA TYR A 48 21.342 -0.910 5.100 1.00 0.00 C ATOM 596 C TYR A 48 22.584 -1.299 4.317 1.00 0.00 C ATOM 597 O TYR A 48 23.007 -2.455 4.315 1.00 0.00 O ATOM 598 CB TYR A 48 21.526 -1.208 6.592 1.00 0.00 C ATOM 599 CG TYR A 48 20.226 -1.438 7.315 1.00 0.00 C ATOM 600 CD1 TYR A 48 19.976 -2.625 7.990 1.00 0.00 C ATOM 601 CD2 TYR A 48 19.241 -0.465 7.306 1.00 0.00 C ATOM 602 CE1 TYR A 48 18.778 -2.831 8.646 1.00 0.00 C ATOM 603 CE2 TYR A 48 18.041 -0.659 7.958 1.00 0.00 C ATOM 604 CZ TYR A 48 17.813 -1.845 8.627 1.00 0.00 C ATOM 605 OH TYR A 48 16.617 -2.044 9.279 1.00 0.00 O ATOM 0 H TYR A 48 20.142 -2.564 4.539 1.00 0.00 H new ATOM 0 HA TYR A 48 21.200 0.166 4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 48 22.158 -2.089 6.705 1.00 0.00 H new ATOM 0 HB3 TYR A 48 22.052 -0.376 7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 48 20.729 -3.399 8.002 1.00 0.00 H new ATOM 0 HD2 TYR A 48 19.415 0.462 6.779 1.00 0.00 H new ATOM 0 HE1 TYR A 48 18.598 -3.758 9.170 1.00 0.00 H new ATOM 0 HE2 TYR A 48 17.285 0.112 7.945 1.00 0.00 H new ATOM 0 HH TYR A 48 16.049 -1.253 9.169 1.00 0.00 H new ATOM 615 N CYS A 49 23.159 -0.308 3.650 1.00 0.00 N ATOM 616 CA CYS A 49 24.369 -0.510 2.867 1.00 0.00 C ATOM 617 C CYS A 49 25.519 -0.914 3.775 1.00 0.00 C ATOM 618 O CYS A 49 26.177 -0.067 4.379 1.00 0.00 O ATOM 619 CB CYS A 49 24.725 0.763 2.097 1.00 0.00 C ATOM 620 SG CYS A 49 26.355 0.717 1.284 1.00 0.00 S ATOM 0 H CYS A 49 22.804 0.648 3.636 1.00 0.00 H new ATOM 0 HA CYS A 49 24.190 -1.311 2.149 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.960 0.942 1.341 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.699 1.609 2.784 1.00 0.00 H new ATOM 625 N GLU A 50 25.736 -2.215 3.888 1.00 0.00 N ATOM 626 CA GLU A 50 26.789 -2.736 4.748 1.00 0.00 C ATOM 627 C GLU A 50 27.825 -3.514 3.948 1.00 0.00 C ATOM 628 O GLU A 50 27.813 -3.505 2.717 1.00 0.00 O ATOM 629 CB GLU A 50 26.188 -3.629 5.835 1.00 0.00 C ATOM 630 CG GLU A 50 26.343 -3.064 7.237 1.00 0.00 C ATOM 631 CD GLU A 50 25.172 -3.408 8.137 1.00 0.00 C ATOM 632 OE1 GLU A 50 24.372 -2.499 8.443 1.00 0.00 O ATOM 633 OE2 GLU A 50 25.056 -4.585 8.536 1.00 0.00 O ATOM 0 H GLU A 50 25.199 -2.929 3.396 1.00 0.00 H new ATOM 0 HA GLU A 50 27.290 -1.888 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 50 25.129 -3.778 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 50 26.662 -4.609 5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.262 -3.448 7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 50 26.446 -1.980 7.179 1.00 0.00 H new ATOM 640 N LEU A 51 28.727 -4.180 4.660 1.00 0.00 N ATOM 641 CA LEU A 51 29.783 -4.956 4.025 1.00 0.00 C ATOM 642 C LEU A 51 29.405 -6.431 3.944 1.00 0.00 C ATOM 643 O LEU A 51 28.702 -6.951 4.811 1.00 0.00 O ATOM 644 CB LEU A 51 31.092 -4.794 4.799 1.00 0.00 C ATOM 645 CG LEU A 51 31.126 -5.504 6.151 1.00 0.00 C ATOM 646 CD1 LEU A 51 30.921 -4.512 7.285 1.00 0.00 C ATOM 647 CD2 LEU A 51 32.437 -6.252 6.327 1.00 0.00 C ATOM 0 H LEU A 51 28.747 -4.197 5.680 1.00 0.00 H new ATOM 0 HA LEU A 51 29.917 -4.581 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 51 31.910 -5.171 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 51 31.276 -3.731 4.957 1.00 0.00 H new ATOM 0 HG LEU A 51 30.310 -6.226 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 51 30.949 -5.039 8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 51 31.713 -3.763 7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 51 29.954 -4.022 7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.444 -6.752 7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 51 32.542 -6.994 5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 51 33.267 -5.548 6.276 1.00 0.00 H new ATOM 709 N MET A 57 30.824 -4.949 -0.731 1.00 0.00 N ATOM 710 CA MET A 57 29.682 -4.065 -0.542 1.00 0.00 C ATOM 711 C MET A 57 28.378 -4.826 -0.742 1.00 0.00 C ATOM 712 O MET A 57 28.228 -5.582 -1.702 1.00 0.00 O ATOM 713 CB MET A 57 29.746 -2.884 -1.519 1.00 0.00 C ATOM 714 CG MET A 57 31.152 -2.553 -2.000 1.00 0.00 C ATOM 715 SD MET A 57 31.474 -3.154 -3.669 1.00 0.00 S ATOM 716 CE MET A 57 33.146 -2.564 -3.923 1.00 0.00 C ATOM 0 HA MET A 57 29.717 -3.682 0.478 1.00 0.00 H new ATOM 0 HB2 MET A 57 29.121 -3.107 -2.383 1.00 0.00 H new ATOM 0 HB3 MET A 57 29.321 -2.003 -1.037 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.296 -1.473 -1.973 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.879 -2.989 -1.314 1.00 0.00 H new ATOM 0 HE1 MET A 57 33.489 -2.858 -4.915 1.00 0.00 H new ATOM 0 HE2 MET A 57 33.165 -1.477 -3.839 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.803 -2.997 -3.169 1.00 0.00 H new ATOM 726 N VAL A 58 27.440 -4.624 0.172 1.00 0.00 N ATOM 727 CA VAL A 58 26.148 -5.294 0.103 1.00 0.00 C ATOM 728 C VAL A 58 25.046 -4.418 0.685 1.00 0.00 C ATOM 729 O VAL A 58 25.300 -3.299 1.130 1.00 0.00 O ATOM 730 CB VAL A 58 26.167 -6.639 0.850 1.00 0.00 C ATOM 731 CG1 VAL A 58 26.712 -7.741 -0.044 1.00 0.00 C ATOM 732 CG2 VAL A 58 26.983 -6.524 2.126 1.00 0.00 C ATOM 0 H VAL A 58 27.549 -4.000 0.972 1.00 0.00 H new ATOM 0 HA VAL A 58 25.945 -5.479 -0.952 1.00 0.00 H new ATOM 0 HB VAL A 58 25.144 -6.900 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.717 -8.684 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 58 26.082 -7.838 -0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.729 -7.493 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 58 26.987 -7.484 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 58 28.006 -6.241 1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 58 26.542 -5.765 2.773 1.00 0.00 H new ATOM 742 N TRP A 59 23.823 -4.936 0.686 1.00 0.00 N ATOM 743 CA TRP A 59 22.686 -4.194 1.211 1.00 0.00 C ATOM 744 C TRP A 59 21.904 -5.020 2.227 1.00 0.00 C ATOM 745 O TRP A 59 21.402 -6.100 1.913 1.00 0.00 O ATOM 746 CB TRP A 59 21.761 -3.764 0.070 1.00 0.00 C ATOM 747 CG TRP A 59 22.264 -2.571 -0.685 1.00 0.00 C ATOM 748 CD1 TRP A 59 22.985 -2.580 -1.845 1.00 0.00 C ATOM 749 CD2 TRP A 59 22.089 -1.194 -0.332 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.264 -1.293 -2.238 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.729 -0.425 -1.323 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.455 -0.535 0.726 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.750 0.968 -1.287 1.00 0.00 C ATOM 754 CZ3 TRP A 59 21.482 0.846 0.762 1.00 0.00 C ATOM 755 CH2 TRP A 59 22.119 1.583 -0.240 1.00 0.00 C ATOM 0 H TRP A 59 23.595 -5.864 0.330 1.00 0.00 H new ATOM 0 HA TRP A 59 23.072 -3.309 1.717 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.638 -4.597 -0.622 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.775 -3.539 0.476 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.291 -3.469 -2.376 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.784 -1.027 -3.074 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.953 -1.095 1.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.246 1.541 -2.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 21.002 1.365 1.579 1.00 0.00 H new ATOM 0 HH2 TRP A 59 22.113 2.662 -0.187 1.00 0.00 H new ATOM 766 N ASN A 60 21.783 -4.487 3.437 1.00 0.00 N ATOM 767 CA ASN A 60 21.034 -5.149 4.499 1.00 0.00 C ATOM 768 C ASN A 60 19.548 -5.136 4.168 1.00 0.00 C ATOM 769 O ASN A 60 19.140 -4.429 3.257 1.00 0.00 O ATOM 770 CB ASN A 60 21.281 -4.434 5.820 1.00 0.00 C ATOM 771 CG ASN A 60 22.392 -5.064 6.627 1.00 0.00 C ATOM 772 OD1 ASN A 60 22.330 -5.118 7.856 1.00 0.00 O ATOM 773 ND2 ASN A 60 23.414 -5.549 5.943 1.00 0.00 N ATOM 0 H ASN A 60 22.196 -3.595 3.708 1.00 0.00 H new ATOM 0 HA ASN A 60 21.367 -6.183 4.585 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.528 -3.391 5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 60 20.363 -4.439 6.408 1.00 0.00 H new ATOM 0 HD21 ASN A 60 24.193 -5.990 6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 60 23.424 -5.483 4.925 1.00 0.00 H new ATOM 780 N PRO A 61 18.732 -5.931 4.896 1.00 0.00 N ATOM 781 CA PRO A 61 17.287 -6.054 4.704 1.00 0.00 C ATOM 782 C PRO A 61 16.660 -4.904 3.922 1.00 0.00 C ATOM 783 O PRO A 61 16.286 -3.879 4.490 1.00 0.00 O ATOM 784 CB PRO A 61 16.794 -6.086 6.148 1.00 0.00 C ATOM 785 CG PRO A 61 17.931 -6.676 6.943 1.00 0.00 C ATOM 786 CD PRO A 61 19.137 -6.756 6.030 1.00 0.00 C ATOM 0 HA PRO A 61 17.017 -6.923 4.103 1.00 0.00 H new ATOM 0 HB2 PRO A 61 16.545 -5.085 6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 61 15.892 -6.691 6.243 1.00 0.00 H new ATOM 0 HG2 PRO A 61 18.150 -6.058 7.814 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.665 -7.666 7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.036 -6.371 6.511 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.351 -7.782 5.729 1.00 0.00 H new ATOM 794 N GLU A 62 16.554 -5.093 2.608 1.00 0.00 N ATOM 795 CA GLU A 62 16.021 -4.064 1.718 1.00 0.00 C ATOM 796 C GLU A 62 14.544 -4.289 1.409 1.00 0.00 C ATOM 797 O GLU A 62 13.679 -3.604 1.950 1.00 0.00 O ATOM 798 CB GLU A 62 16.810 -4.008 0.392 1.00 0.00 C ATOM 799 CG GLU A 62 18.010 -4.945 0.312 1.00 0.00 C ATOM 800 CD GLU A 62 17.643 -6.315 -0.225 1.00 0.00 C ATOM 801 OE1 GLU A 62 16.442 -6.654 -0.213 1.00 0.00 O ATOM 802 OE2 GLU A 62 18.558 -7.048 -0.656 1.00 0.00 O ATOM 0 H GLU A 62 16.832 -5.953 2.135 1.00 0.00 H new ATOM 0 HA GLU A 62 16.128 -3.115 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.130 -4.243 -0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.156 -2.986 0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.772 -4.500 -0.328 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.449 -5.053 1.304 1.00 0.00 H new ATOM 809 N ALA A 63 14.273 -5.217 0.495 1.00 0.00 N ATOM 810 CA ALA A 63 12.911 -5.483 0.035 1.00 0.00 C ATOM 811 C ALA A 63 12.084 -6.259 1.059 1.00 0.00 C ATOM 812 O ALA A 63 12.266 -7.465 1.225 1.00 0.00 O ATOM 813 CB ALA A 63 12.952 -6.246 -1.279 1.00 0.00 C ATOM 0 H ALA A 63 14.984 -5.802 0.055 1.00 0.00 H new ATOM 0 HA ALA A 63 12.424 -4.518 -0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.935 -6.442 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.476 -5.652 -2.028 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.475 -7.192 -1.135 1.00 0.00 H new ATOM 819 N PRO A 64 11.104 -5.597 1.705 1.00 0.00 N ATOM 820 CA PRO A 64 10.203 -6.232 2.658 1.00 0.00 C ATOM 821 C PRO A 64 8.984 -6.821 1.951 1.00 0.00 C ATOM 822 O PRO A 64 9.028 -7.089 0.750 1.00 0.00 O ATOM 823 CB PRO A 64 9.786 -5.072 3.579 1.00 0.00 C ATOM 824 CG PRO A 64 10.365 -3.826 2.972 1.00 0.00 C ATOM 825 CD PRO A 64 10.776 -4.178 1.571 1.00 0.00 C ATOM 0 HA PRO A 64 10.668 -7.061 3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.701 -5.002 3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.163 -5.223 4.591 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.631 -3.020 2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.220 -3.476 3.550 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.972 -4.010 0.854 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.631 -3.590 1.235 1.00 0.00 H new ATOM 833 N ILE A 65 7.888 -6.995 2.683 1.00 0.00 N ATOM 834 CA ILE A 65 6.662 -7.525 2.093 1.00 0.00 C ATOM 835 C ILE A 65 5.799 -6.397 1.543 1.00 0.00 C ATOM 836 O ILE A 65 6.121 -5.222 1.703 1.00 0.00 O ATOM 837 CB ILE A 65 5.821 -8.332 3.098 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.691 -8.939 4.196 1.00 0.00 C ATOM 839 CG2 ILE A 65 5.044 -9.424 2.382 1.00 0.00 C ATOM 840 CD1 ILE A 65 5.908 -9.812 5.144 1.00 0.00 C ATOM 0 H ILE A 65 7.823 -6.779 3.678 1.00 0.00 H new ATOM 0 HA ILE A 65 6.977 -8.193 1.291 1.00 0.00 H new ATOM 0 HB ILE A 65 5.118 -7.644 3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.486 -9.528 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.170 -8.138 4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.454 -9.986 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.380 -8.974 1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.740 -10.097 1.881 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.577 -10.216 5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.129 -9.220 5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.450 -10.632 4.590 1.00 0.00 H new ATOM 852 N CYS A 66 4.706 -6.764 0.890 1.00 0.00 N ATOM 853 CA CYS A 66 3.791 -5.783 0.326 1.00 0.00 C ATOM 854 C CYS A 66 2.518 -6.453 -0.176 1.00 0.00 C ATOM 855 O CYS A 66 2.552 -7.577 -0.678 1.00 0.00 O ATOM 856 CB CYS A 66 4.464 -5.025 -0.817 1.00 0.00 C ATOM 857 SG CYS A 66 4.951 -3.321 -0.395 1.00 0.00 S ATOM 0 H CYS A 66 4.431 -7.734 0.738 1.00 0.00 H new ATOM 0 HA CYS A 66 3.524 -5.078 1.113 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.349 -5.577 -1.133 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.785 -4.997 -1.669 1.00 0.00 H new ATOM 862 N GLU A 67 1.399 -5.750 -0.054 1.00 0.00 N ATOM 863 CA GLU A 67 0.116 -6.273 -0.504 1.00 0.00 C ATOM 864 C GLU A 67 -0.892 -5.146 -0.703 1.00 0.00 C ATOM 865 O GLU A 67 -0.700 -4.033 -0.212 1.00 0.00 O ATOM 866 CB GLU A 67 -0.424 -7.287 0.505 1.00 0.00 C ATOM 867 CG GLU A 67 -1.729 -7.937 0.076 1.00 0.00 C ATOM 868 CD GLU A 67 -2.046 -9.188 0.871 1.00 0.00 C ATOM 869 OE1 GLU A 67 -2.477 -9.058 2.036 1.00 0.00 O ATOM 870 OE2 GLU A 67 -1.864 -10.299 0.329 1.00 0.00 O ATOM 0 H GLU A 67 1.354 -4.816 0.353 1.00 0.00 H new ATOM 0 HA GLU A 67 0.268 -6.770 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.324 -8.064 0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.574 -6.789 1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.543 -7.221 0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.675 -8.188 -0.983 1.00 0.00 H new ATOM 877 N SER A 68 -1.964 -5.441 -1.428 1.00 0.00 N ATOM 878 CA SER A 68 -3.000 -4.453 -1.702 1.00 0.00 C ATOM 879 C SER A 68 -4.116 -4.521 -0.665 1.00 0.00 C ATOM 880 O SER A 68 -4.791 -5.542 -0.530 1.00 0.00 O ATOM 881 CB SER A 68 -3.574 -4.665 -3.106 1.00 0.00 C ATOM 882 OG SER A 68 -4.744 -5.466 -3.071 1.00 0.00 O ATOM 0 H SER A 68 -2.139 -6.359 -1.838 1.00 0.00 H new ATOM 0 HA SER A 68 -2.545 -3.464 -1.646 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.806 -3.699 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.825 -5.140 -3.739 1.00 0.00 H new ATOM 0 HG SER A 68 -4.785 -5.948 -2.219 1.00 0.00 H new ATOM 888 N VAL A 69 -4.311 -3.422 0.054 1.00 0.00 N ATOM 889 CA VAL A 69 -5.357 -3.348 1.067 1.00 0.00 C ATOM 890 C VAL A 69 -6.716 -3.693 0.470 1.00 0.00 C ATOM 891 O VAL A 69 -7.405 -2.823 -0.065 1.00 0.00 O ATOM 892 CB VAL A 69 -5.444 -1.945 1.693 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.252 -0.876 0.633 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.434 -1.784 2.814 1.00 0.00 C ATOM 0 H VAL A 69 -3.759 -2.570 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.094 -4.070 1.840 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.439 -1.826 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.317 0.109 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.273 -0.996 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.028 -0.973 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.518 -0.783 3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.630 -2.524 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.428 -1.928 2.421 1.00 0.00 H new ATOM 904 N LYS A 70 -7.105 -4.958 0.566 1.00 0.00 N ATOM 905 CA LYS A 70 -8.384 -5.397 0.024 1.00 0.00 C ATOM 906 C LYS A 70 -9.537 -5.003 0.940 1.00 0.00 C ATOM 907 O LYS A 70 -9.463 -5.171 2.158 1.00 0.00 O ATOM 908 CB LYS A 70 -8.393 -6.910 -0.187 1.00 0.00 C ATOM 909 CG LYS A 70 -8.932 -7.325 -1.545 1.00 0.00 C ATOM 910 CD LYS A 70 -8.620 -8.778 -1.844 1.00 0.00 C ATOM 911 CE LYS A 70 -8.427 -9.009 -3.333 1.00 0.00 C ATOM 912 NZ LYS A 70 -7.545 -10.177 -3.605 1.00 0.00 N ATOM 0 H LYS A 70 -6.557 -5.694 1.011 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.517 -4.901 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.378 -7.291 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.996 -7.375 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.011 -7.170 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.499 -6.692 -2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.719 -9.076 -1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.431 -9.408 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.397 -9.169 -3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.996 -8.116 -3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.439 -10.300 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.611 -10.014 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.968 -11.034 -3.195 1.00 0.00 H new ATOM 926 N CYS A 71 -10.609 -4.495 0.344 1.00 0.00 N ATOM 927 CA CYS A 71 -11.795 -4.108 1.101 1.00 0.00 C ATOM 928 C CYS A 71 -12.912 -5.110 0.871 1.00 0.00 C ATOM 929 O CYS A 71 -13.336 -5.335 -0.261 1.00 0.00 O ATOM 930 CB CYS A 71 -12.282 -2.702 0.718 1.00 0.00 C ATOM 931 SG CYS A 71 -11.088 -1.685 -0.218 1.00 0.00 S ATOM 0 H CYS A 71 -10.682 -4.341 -0.662 1.00 0.00 H new ATOM 0 HA CYS A 71 -11.520 -4.096 2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -13.192 -2.800 0.126 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -12.551 -2.169 1.630 1.00 0.00 H new ATOM 936 N GLN A 72 -13.388 -5.709 1.950 1.00 0.00 N ATOM 937 CA GLN A 72 -14.451 -6.695 1.862 1.00 0.00 C ATOM 938 C GLN A 72 -15.765 -6.033 1.468 1.00 0.00 C ATOM 939 O GLN A 72 -15.774 -4.918 0.947 1.00 0.00 O ATOM 940 CB GLN A 72 -14.596 -7.424 3.198 1.00 0.00 C ATOM 941 CG GLN A 72 -15.188 -6.566 4.306 1.00 0.00 C ATOM 942 CD GLN A 72 -14.142 -6.080 5.289 1.00 0.00 C ATOM 943 OE1 GLN A 72 -13.588 -6.863 6.061 1.00 0.00 O ATOM 944 NE2 GLN A 72 -13.867 -4.781 5.266 1.00 0.00 N ATOM 0 H GLN A 72 -13.055 -5.529 2.897 1.00 0.00 H new ATOM 0 HA GLN A 72 -14.194 -7.421 1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -15.226 -8.302 3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.616 -7.783 3.513 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.693 -5.707 3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.944 -7.141 4.841 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -14.351 -4.169 4.609 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.172 -4.395 5.905 1.00 0.00 H new ATOM 953 N SER A 73 -16.874 -6.721 1.717 1.00 0.00 N ATOM 954 CA SER A 73 -18.187 -6.187 1.382 1.00 0.00 C ATOM 955 C SER A 73 -18.344 -4.766 1.920 1.00 0.00 C ATOM 956 O SER A 73 -17.924 -4.470 3.039 1.00 0.00 O ATOM 957 CB SER A 73 -19.288 -7.085 1.949 1.00 0.00 C ATOM 958 OG SER A 73 -20.498 -6.367 2.116 1.00 0.00 O ATOM 0 H SER A 73 -16.889 -7.645 2.148 1.00 0.00 H new ATOM 0 HA SER A 73 -18.277 -6.160 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.452 -7.930 1.280 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.970 -7.495 2.908 1.00 0.00 H new ATOM 0 HG SER A 73 -20.845 -6.517 3.020 1.00 0.00 H new ATOM 964 N PRO A 74 -18.932 -3.858 1.123 1.00 0.00 N ATOM 965 CA PRO A 74 -19.124 -2.465 1.534 1.00 0.00 C ATOM 966 C PRO A 74 -19.935 -2.358 2.824 1.00 0.00 C ATOM 967 O PRO A 74 -20.640 -3.293 3.202 1.00 0.00 O ATOM 968 CB PRO A 74 -19.879 -1.830 0.360 1.00 0.00 C ATOM 969 CG PRO A 74 -19.638 -2.740 -0.799 1.00 0.00 C ATOM 970 CD PRO A 74 -19.460 -4.117 -0.226 1.00 0.00 C ATOM 0 HA PRO A 74 -18.177 -1.970 1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.944 -1.743 0.577 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -19.512 -0.824 0.154 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.477 -2.714 -1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.753 -2.434 -1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.403 -4.663 -0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -18.768 -4.714 -0.821 1.00 0.00 H new ATOM 978 N PRO A 75 -19.824 -1.221 3.532 1.00 0.00 N ATOM 979 CA PRO A 75 -20.531 -1.005 4.794 1.00 0.00 C ATOM 980 C PRO A 75 -21.974 -1.493 4.751 1.00 0.00 C ATOM 981 O PRO A 75 -22.571 -1.610 3.681 1.00 0.00 O ATOM 982 CB PRO A 75 -20.482 0.511 4.959 1.00 0.00 C ATOM 983 CG PRO A 75 -19.215 0.919 4.287 1.00 0.00 C ATOM 984 CD PRO A 75 -18.996 -0.059 3.158 1.00 0.00 C ATOM 0 HA PRO A 75 -20.078 -1.558 5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -21.347 0.988 4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -20.483 0.796 6.011 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -19.287 1.939 3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -18.380 0.897 4.987 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -19.305 0.360 2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.945 -0.331 3.063 1.00 0.00 H new ATOM 992 N SER A 76 -22.525 -1.778 5.925 1.00 0.00 N ATOM 993 CA SER A 76 -23.899 -2.249 6.033 1.00 0.00 C ATOM 994 C SER A 76 -24.802 -1.158 6.594 1.00 0.00 C ATOM 995 O SER A 76 -24.994 -1.058 7.805 1.00 0.00 O ATOM 996 CB SER A 76 -23.966 -3.489 6.927 1.00 0.00 C ATOM 997 OG SER A 76 -23.456 -3.214 8.220 1.00 0.00 O ATOM 0 H SER A 76 -22.039 -1.691 6.818 1.00 0.00 H new ATOM 0 HA SER A 76 -24.248 -2.510 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 76 -24.998 -3.830 7.005 1.00 0.00 H new ATOM 0 HB3 SER A 76 -23.396 -4.300 6.473 1.00 0.00 H new ATOM 0 HG SER A 76 -23.747 -2.322 8.504 1.00 0.00 H new ATOM 1003 N ILE A 77 -25.354 -0.341 5.704 1.00 0.00 N ATOM 1004 CA ILE A 77 -26.231 0.749 6.111 1.00 0.00 C ATOM 1005 C ILE A 77 -27.555 0.220 6.643 1.00 0.00 C ATOM 1006 O ILE A 77 -27.857 -0.967 6.520 1.00 0.00 O ATOM 1007 CB ILE A 77 -26.516 1.708 4.942 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -27.256 0.972 3.823 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -25.220 2.312 4.428 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.902 1.897 2.814 1.00 0.00 C ATOM 0 H ILE A 77 -25.210 -0.413 4.697 1.00 0.00 H new ATOM 0 HA ILE A 77 -25.711 1.291 6.901 1.00 0.00 H new ATOM 0 HB ILE A 77 -27.152 2.519 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -26.556 0.316 3.306 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -28.023 0.335 4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -25.437 2.988 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -24.733 2.865 5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -24.560 1.517 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -28.408 1.306 2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -28.627 2.536 3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -27.137 2.516 2.346 1.00 0.00 H new ATOM 1022 N SER A 78 -28.343 1.111 7.232 1.00 0.00 N ATOM 1023 CA SER A 78 -29.641 0.739 7.777 1.00 0.00 C ATOM 1024 C SER A 78 -30.739 0.948 6.744 1.00 0.00 C ATOM 1025 O SER A 78 -30.751 1.951 6.030 1.00 0.00 O ATOM 1026 CB SER A 78 -29.944 1.553 9.036 1.00 0.00 C ATOM 1027 OG SER A 78 -28.751 2.009 9.650 1.00 0.00 O ATOM 0 H SER A 78 -28.105 2.096 7.344 1.00 0.00 H new ATOM 0 HA SER A 78 -29.609 -0.318 8.040 1.00 0.00 H new ATOM 0 HB2 SER A 78 -30.573 2.405 8.779 1.00 0.00 H new ATOM 0 HB3 SER A 78 -30.508 0.942 9.740 1.00 0.00 H new ATOM 0 HG SER A 78 -28.973 2.528 10.451 1.00 0.00 H new ATOM 1033 N ASN A 79 -31.652 -0.011 6.660 1.00 0.00 N ATOM 1034 CA ASN A 79 -32.752 0.066 5.709 1.00 0.00 C ATOM 1035 C ASN A 79 -32.232 0.015 4.279 1.00 0.00 C ATOM 1036 O ASN A 79 -32.842 0.570 3.365 1.00 0.00 O ATOM 1037 CB ASN A 79 -33.564 1.349 5.919 1.00 0.00 C ATOM 1038 CG ASN A 79 -33.568 1.830 7.354 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -33.520 0.898 8.292 1.00 0.00 O flip ATOM 1040 ND2 ASN A 79 -33.603 3.032 7.617 1.00 0.00 N flip ATOM 0 H ASN A 79 -31.652 -0.851 7.239 1.00 0.00 H new ATOM 0 HA ASN A 79 -33.401 -0.793 5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -33.159 2.135 5.281 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -34.591 1.176 5.599 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -33.639 3.718 6.863 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -33.595 3.342 8.589 1.00 0.00 H new ATOM 1047 N GLY A 80 -31.102 -0.656 4.091 1.00 0.00 N ATOM 1048 CA GLY A 80 -30.526 -0.769 2.765 1.00 0.00 C ATOM 1049 C GLY A 80 -29.392 -1.770 2.697 1.00 0.00 C ATOM 1050 O GLY A 80 -29.200 -2.568 3.614 1.00 0.00 O ATOM 0 H GLY A 80 -30.576 -1.122 4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -31.304 -1.061 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -30.161 0.208 2.449 1.00 0.00 H new ATOM 1054 N ARG A 81 -28.652 -1.739 1.593 1.00 0.00 N ATOM 1055 CA ARG A 81 -27.546 -2.655 1.386 1.00 0.00 C ATOM 1056 C ARG A 81 -26.734 -2.242 0.166 1.00 0.00 C ATOM 1057 O ARG A 81 -26.982 -1.199 -0.437 1.00 0.00 O ATOM 1058 CB ARG A 81 -28.067 -4.084 1.216 1.00 0.00 C ATOM 1059 CG ARG A 81 -29.403 -4.176 0.497 1.00 0.00 C ATOM 1060 CD ARG A 81 -30.097 -5.495 0.789 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.914 -5.946 -0.334 1.00 0.00 N ATOM 1062 CZ ARG A 81 -30.418 -6.256 -1.527 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -29.114 -6.164 -1.750 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -31.226 -6.658 -2.499 1.00 0.00 N ATOM 0 H ARG A 81 -28.803 -1.084 0.826 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.898 -2.620 2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -27.329 -4.665 0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -28.164 -4.544 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -30.043 -3.350 0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -29.248 -4.074 -0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -29.350 -6.254 1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -30.725 -5.386 1.673 1.00 0.00 H new ATOM 0 HE ARG A 81 -31.921 -6.028 -0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -28.490 -5.855 -1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -28.735 -6.402 -2.667 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -32.230 -6.729 -2.331 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -30.844 -6.896 -3.414 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.767 -3.068 -0.187 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.906 -2.804 -1.333 1.00 0.00 C ATOM 1080 C HIS A 82 -25.226 -3.748 -2.488 1.00 0.00 C ATOM 1081 O HIS A 82 -26.013 -4.682 -2.339 1.00 0.00 O ATOM 1082 CB HIS A 82 -23.438 -2.949 -0.935 1.00 0.00 C ATOM 1083 CG HIS A 82 -23.171 -4.137 -0.065 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.948 -5.403 -0.567 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -23.100 -4.251 1.282 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.748 -6.242 0.434 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -22.835 -5.568 1.565 1.00 0.00 N ATOM 0 H HIS A 82 -25.554 -3.935 0.306 1.00 0.00 H new ATOM 0 HA HIS A 82 -25.089 -1.782 -1.664 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.831 -3.025 -1.837 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -23.120 -2.047 -0.412 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -23.228 -3.455 2.000 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -22.547 -7.299 0.342 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -22.723 -5.962 2.499 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.609 -3.496 -3.640 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.824 -4.327 -4.820 1.00 0.00 C ATOM 1098 C ASN A 83 -23.606 -5.196 -5.123 1.00 0.00 C ATOM 1099 O ASN A 83 -23.537 -5.828 -6.177 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.129 -3.450 -6.034 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.312 -2.531 -5.807 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -27.235 -2.861 -5.063 1.00 0.00 O ATOM 1103 ND2 ASN A 83 -26.291 -1.369 -6.451 1.00 0.00 N ATOM 0 H ASN A 83 -23.957 -2.724 -3.781 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.672 -4.980 -4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.250 -2.852 -6.275 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -25.328 -4.086 -6.896 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -27.061 -0.709 -6.338 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -25.505 -1.137 -7.058 1.00 0.00 H new ATOM 1165 N PHE A 88 -14.529 -9.523 -2.134 1.00 0.00 N ATOM 1166 CA PHE A 88 -13.519 -8.554 -1.742 1.00 0.00 C ATOM 1167 C PHE A 88 -13.375 -7.451 -2.785 1.00 0.00 C ATOM 1168 O PHE A 88 -13.923 -7.540 -3.883 1.00 0.00 O ATOM 1169 CB PHE A 88 -12.175 -9.252 -1.537 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.957 -9.725 -0.134 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -12.420 -10.963 0.276 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -11.289 -8.926 0.776 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -12.218 -11.397 1.571 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -11.083 -9.353 2.070 1.00 0.00 C ATOM 1175 CZ PHE A 88 -11.548 -10.591 2.471 1.00 0.00 C ATOM 0 HA PHE A 88 -13.838 -8.097 -0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.110 -10.104 -2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.373 -8.566 -1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.945 -11.596 -0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.925 -7.957 0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -12.583 -12.365 1.880 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.558 -8.720 2.771 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.388 -10.927 3.485 1.00 0.00 H new ATOM 1185 N TYR A 89 -12.632 -6.413 -2.425 1.00 0.00 N ATOM 1186 CA TYR A 89 -12.388 -5.288 -3.318 1.00 0.00 C ATOM 1187 C TYR A 89 -10.997 -4.720 -3.063 1.00 0.00 C ATOM 1188 O TYR A 89 -10.342 -5.096 -2.094 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.450 -4.201 -3.120 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.862 -4.669 -3.404 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.516 -4.285 -4.568 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -15.541 -5.488 -2.509 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.805 -4.705 -4.834 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -16.833 -5.907 -2.766 1.00 0.00 C ATOM 1195 CZ TYR A 89 -17.460 -5.516 -3.931 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.746 -5.934 -4.192 1.00 0.00 O ATOM 0 H TYR A 89 -12.184 -6.327 -1.513 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.447 -5.639 -4.348 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.397 -3.837 -2.094 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.219 -3.357 -3.770 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -15.008 -3.648 -5.277 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.051 -5.802 -1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.298 -4.400 -5.745 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -17.349 -6.538 -2.058 1.00 0.00 H new ATOM 0 HH TYR A 89 -19.062 -6.500 -3.457 1.00 0.00 H new ATOM 1206 N THR A 90 -10.538 -3.830 -3.934 1.00 0.00 N ATOM 1207 CA THR A 90 -9.210 -3.250 -3.780 1.00 0.00 C ATOM 1208 C THR A 90 -9.230 -1.740 -3.978 1.00 0.00 C ATOM 1209 O THR A 90 -10.262 -1.158 -4.314 1.00 0.00 O ATOM 1210 CB THR A 90 -8.235 -3.895 -4.764 1.00 0.00 C ATOM 1211 OG1 THR A 90 -8.816 -3.994 -6.053 1.00 0.00 O ATOM 1212 CG2 THR A 90 -7.802 -5.282 -4.344 1.00 0.00 C ATOM 0 H THR A 90 -11.059 -3.497 -4.745 1.00 0.00 H new ATOM 0 HA THR A 90 -8.878 -3.448 -2.761 1.00 0.00 H new ATOM 0 HB THR A 90 -7.359 -3.246 -4.778 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.176 -4.408 -6.669 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.111 -5.687 -5.083 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.307 -5.231 -3.374 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.676 -5.930 -4.272 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.081 -1.110 -3.757 1.00 0.00 N ATOM 1221 CA ASP A 91 -7.957 0.331 -3.898 1.00 0.00 C ATOM 1222 C ASP A 91 -8.283 0.769 -5.312 1.00 0.00 C ATOM 1223 O ASP A 91 -7.453 0.687 -6.217 1.00 0.00 O ATOM 1224 CB ASP A 91 -6.552 0.792 -3.521 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.437 1.146 -2.052 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -5.756 2.143 -1.733 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -7.035 0.431 -1.221 1.00 0.00 O ATOM 0 H ASP A 91 -7.220 -1.580 -3.478 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.673 0.793 -3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.837 0.004 -3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.283 1.660 -4.124 1.00 0.00 H new ATOM 1232 N GLY A 92 -9.504 1.237 -5.481 1.00 0.00 N ATOM 1233 CA GLY A 92 -9.948 1.713 -6.774 1.00 0.00 C ATOM 1234 C GLY A 92 -11.206 1.021 -7.260 1.00 0.00 C ATOM 1235 O GLY A 92 -11.472 0.984 -8.461 1.00 0.00 O ATOM 0 H GLY A 92 -10.204 1.297 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.129 2.786 -6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.152 1.562 -7.503 1.00 0.00 H new ATOM 1239 N SER A 93 -11.988 0.475 -6.332 1.00 0.00 N ATOM 1240 CA SER A 93 -13.232 -0.197 -6.692 1.00 0.00 C ATOM 1241 C SER A 93 -14.433 0.636 -6.266 1.00 0.00 C ATOM 1242 O SER A 93 -14.314 1.533 -5.432 1.00 0.00 O ATOM 1243 CB SER A 93 -13.304 -1.586 -6.052 1.00 0.00 C ATOM 1244 OG SER A 93 -12.013 -2.067 -5.725 1.00 0.00 O ATOM 0 H SER A 93 -11.784 0.485 -5.333 1.00 0.00 H new ATOM 0 HA SER A 93 -13.251 -0.312 -7.776 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.918 -1.543 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.791 -2.280 -6.737 1.00 0.00 H new ATOM 0 HG SER A 93 -11.661 -1.565 -4.961 1.00 0.00 H new ATOM 1250 N VAL A 94 -15.588 0.345 -6.851 1.00 0.00 N ATOM 1251 CA VAL A 94 -16.804 1.075 -6.529 1.00 0.00 C ATOM 1252 C VAL A 94 -18.000 0.137 -6.417 1.00 0.00 C ATOM 1253 O VAL A 94 -17.998 -0.964 -6.968 1.00 0.00 O ATOM 1254 CB VAL A 94 -17.106 2.165 -7.580 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -15.959 3.160 -7.654 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -18.415 2.877 -7.266 1.00 0.00 C ATOM 0 H VAL A 94 -15.707 -0.389 -7.549 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.636 1.554 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.211 1.683 -8.552 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -16.186 3.922 -8.399 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -15.824 3.632 -6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.043 2.640 -7.935 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.604 3.640 -8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -19.231 2.155 -7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -18.347 3.347 -6.285 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.018 0.591 -5.700 1.00 0.00 N ATOM 1267 CA VAL A 95 -20.233 -0.186 -5.511 1.00 0.00 C ATOM 1268 C VAL A 95 -21.428 0.732 -5.312 1.00 0.00 C ATOM 1269 O VAL A 95 -21.295 1.830 -4.772 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.122 -1.126 -4.298 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.300 -2.084 -4.250 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -18.810 -1.889 -4.333 1.00 0.00 C ATOM 0 H VAL A 95 -19.025 1.500 -5.237 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.371 -0.787 -6.410 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.141 -0.520 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.201 -2.739 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.227 -1.517 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.318 -2.684 -5.160 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.749 -2.549 -3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.759 -2.483 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -17.979 -1.184 -4.311 1.00 0.00 H new ATOM 1282 N THR A 96 -22.592 0.283 -5.755 1.00 0.00 N ATOM 1283 CA THR A 96 -23.807 1.065 -5.605 1.00 0.00 C ATOM 1284 C THR A 96 -24.679 0.483 -4.505 1.00 0.00 C ATOM 1285 O THR A 96 -24.896 -0.726 -4.442 1.00 0.00 O ATOM 1286 CB THR A 96 -24.580 1.115 -6.925 1.00 0.00 C ATOM 1287 OG1 THR A 96 -24.070 0.161 -7.840 1.00 0.00 O ATOM 1288 CG2 THR A 96 -24.530 2.471 -7.597 1.00 0.00 C ATOM 0 H THR A 96 -22.720 -0.616 -6.220 1.00 0.00 H new ATOM 0 HA THR A 96 -23.529 2.082 -5.328 1.00 0.00 H new ATOM 0 HB THR A 96 -25.615 0.897 -6.663 1.00 0.00 H new ATOM 0 HG1 THR A 96 -24.578 0.207 -8.677 1.00 0.00 H new ATOM 0 HG21 THR A 96 -25.098 2.437 -8.527 1.00 0.00 H new ATOM 0 HG22 THR A 96 -24.962 3.221 -6.935 1.00 0.00 H new ATOM 0 HG23 THR A 96 -23.494 2.732 -7.813 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.145 1.348 -3.618 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.972 0.920 -2.504 1.00 0.00 C ATOM 1298 C TYR A 97 -27.446 0.927 -2.883 1.00 0.00 C ATOM 1299 O TYR A 97 -27.848 1.583 -3.843 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.729 1.822 -1.298 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.604 1.352 -0.411 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -23.385 0.964 -0.954 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.752 1.314 0.968 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -22.350 0.542 -0.146 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -23.718 0.895 1.783 1.00 0.00 C ATOM 1306 CZ TYR A 97 -22.520 0.509 1.221 1.00 0.00 C ATOM 1307 OH TYR A 97 -21.490 0.093 2.030 1.00 0.00 O ATOM 0 H TYR A 97 -24.964 2.351 -3.649 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.697 -0.102 -2.245 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.508 2.831 -1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.644 1.882 -0.709 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -23.246 0.993 -2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.689 1.616 1.411 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -21.410 0.239 -0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -23.848 0.870 2.855 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.730 -0.758 2.454 1.00 0.00 H new ATOM 1317 N SER A 98 -28.248 0.178 -2.138 1.00 0.00 N ATOM 1318 CA SER A 98 -29.676 0.096 -2.421 1.00 0.00 C ATOM 1319 C SER A 98 -30.484 -0.156 -1.155 1.00 0.00 C ATOM 1320 O SER A 98 -30.159 -1.039 -0.362 1.00 0.00 O ATOM 1321 CB SER A 98 -29.948 -1.013 -3.438 1.00 0.00 C ATOM 1322 OG SER A 98 -28.998 -0.987 -4.489 1.00 0.00 O ATOM 0 H SER A 98 -27.939 -0.377 -1.340 1.00 0.00 H new ATOM 0 HA SER A 98 -29.987 1.055 -2.835 1.00 0.00 H new ATOM 0 HB2 SER A 98 -29.918 -1.982 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 98 -30.951 -0.897 -3.848 1.00 0.00 H new ATOM 0 HG SER A 98 -28.377 -1.738 -4.387 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.559 0.609 -0.988 1.00 0.00 N ATOM 1329 CA CYS A 99 -32.430 0.461 0.170 1.00 0.00 C ATOM 1330 C CYS A 99 -33.207 -0.851 0.098 1.00 0.00 C ATOM 1331 O CYS A 99 -33.302 -1.468 -0.963 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.402 1.637 0.256 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.591 3.257 0.457 1.00 0.00 S ATOM 0 H CYS A 99 -31.847 1.338 -1.641 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.807 0.448 1.065 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -34.012 1.657 -0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -34.079 1.475 1.095 1.00 0.00 H new ATOM 1338 N ASN A 100 -33.755 -1.277 1.233 1.00 0.00 N ATOM 1339 CA ASN A 100 -34.530 -2.517 1.284 1.00 0.00 C ATOM 1340 C ASN A 100 -36.023 -2.231 1.171 1.00 0.00 C ATOM 1341 O ASN A 100 -36.596 -2.290 0.084 1.00 0.00 O ATOM 1342 CB ASN A 100 -34.250 -3.305 2.574 1.00 0.00 C ATOM 1343 CG ASN A 100 -33.836 -2.430 3.743 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -34.473 -1.417 4.034 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -32.767 -2.827 4.425 1.00 0.00 N ATOM 0 H ASN A 100 -33.679 -0.787 2.125 1.00 0.00 H new ATOM 0 HA ASN A 100 -34.219 -3.125 0.435 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -35.144 -3.865 2.849 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -33.464 -4.035 2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -32.443 -2.285 5.226 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -32.270 -3.673 4.147 1.00 0.00 H new ATOM 1352 N SER A 101 -36.645 -1.916 2.303 1.00 0.00 N ATOM 1353 CA SER A 101 -38.077 -1.627 2.342 1.00 0.00 C ATOM 1354 C SER A 101 -38.492 -0.694 1.205 1.00 0.00 C ATOM 1355 O SER A 101 -39.636 -0.724 0.752 1.00 0.00 O ATOM 1356 CB SER A 101 -38.452 -1.003 3.688 1.00 0.00 C ATOM 1357 OG SER A 101 -39.600 -1.625 4.238 1.00 0.00 O ATOM 0 H SER A 101 -36.179 -1.854 3.208 1.00 0.00 H new ATOM 0 HA SER A 101 -38.609 -2.570 2.217 1.00 0.00 H new ATOM 0 HB2 SER A 101 -37.616 -1.098 4.381 1.00 0.00 H new ATOM 0 HB3 SER A 101 -38.639 0.063 3.558 1.00 0.00 H new ATOM 0 HG SER A 101 -39.817 -1.209 5.098 1.00 0.00 H new ATOM 1363 N GLY A 102 -37.554 0.129 0.747 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.843 1.056 -0.331 1.00 0.00 C ATOM 1365 C GLY A 102 -37.526 2.492 0.039 1.00 0.00 C ATOM 1366 O GLY A 102 -38.234 3.416 -0.362 1.00 0.00 O ATOM 0 H GLY A 102 -36.599 0.170 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -37.266 0.775 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.896 0.978 -0.601 1.00 0.00 H new ATOM 1370 N TYR A 103 -36.460 2.678 0.811 1.00 0.00 N ATOM 1371 CA TYR A 103 -36.048 4.003 1.243 1.00 0.00 C ATOM 1372 C TYR A 103 -35.376 4.761 0.106 1.00 0.00 C ATOM 1373 O TYR A 103 -35.341 4.294 -1.032 1.00 0.00 O ATOM 1374 CB TYR A 103 -35.096 3.889 2.434 1.00 0.00 C ATOM 1375 CG TYR A 103 -35.805 3.812 3.767 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -36.095 2.585 4.349 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -36.191 4.965 4.439 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -36.744 2.508 5.567 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -36.841 4.897 5.656 1.00 0.00 C ATOM 1380 CZ TYR A 103 -37.116 3.667 6.215 1.00 0.00 C ATOM 1381 OH TYR A 103 -37.763 3.595 7.428 1.00 0.00 O ATOM 0 H TYR A 103 -35.865 1.922 1.150 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.936 4.559 1.544 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -34.476 3.001 2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -34.426 4.749 2.437 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -35.809 1.676 3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -35.979 5.930 4.003 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -36.958 1.546 6.008 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -37.132 5.803 6.167 1.00 0.00 H new ATOM 0 HH TYR A 103 -37.954 4.500 7.751 1.00 0.00 H new ATOM 1391 N SER A 104 -34.845 5.933 0.424 1.00 0.00 N ATOM 1392 CA SER A 104 -34.175 6.764 -0.565 1.00 0.00 C ATOM 1393 C SER A 104 -32.682 6.856 -0.278 1.00 0.00 C ATOM 1394 O SER A 104 -32.261 7.527 0.664 1.00 0.00 O ATOM 1395 CB SER A 104 -34.789 8.165 -0.582 1.00 0.00 C ATOM 1396 OG SER A 104 -36.172 8.119 -0.280 1.00 0.00 O ATOM 0 H SER A 104 -34.866 6.331 1.363 1.00 0.00 H new ATOM 0 HA SER A 104 -34.310 6.302 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 104 -34.276 8.799 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 104 -34.643 8.618 -1.563 1.00 0.00 H new ATOM 0 HG SER A 104 -36.541 9.027 -0.296 1.00 0.00 H new ATOM 1402 N LEU A 105 -31.887 6.183 -1.104 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.439 6.185 -0.966 1.00 0.00 C ATOM 1404 C LEU A 105 -29.909 7.597 -0.750 1.00 0.00 C ATOM 1405 O LEU A 105 -30.080 8.476 -1.595 1.00 0.00 O ATOM 1406 CB LEU A 105 -29.801 5.568 -2.210 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.943 4.330 -1.951 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.746 3.263 -1.224 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.701 4.702 -1.158 1.00 0.00 C ATOM 0 H LEU A 105 -32.229 5.623 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.177 5.590 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.592 5.303 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.184 6.324 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.628 3.922 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -29.117 2.390 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -30.094 3.657 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -30.604 2.976 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -27.101 3.809 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.114 5.429 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.996 5.135 -0.202 1.00 0.00 H new ATOM 1421 N ILE A 106 -29.273 7.801 0.393 1.00 0.00 N ATOM 1422 CA ILE A 106 -28.727 9.095 0.751 1.00 0.00 C ATOM 1423 C ILE A 106 -27.213 9.108 0.592 1.00 0.00 C ATOM 1424 O ILE A 106 -26.582 8.059 0.558 1.00 0.00 O ATOM 1425 CB ILE A 106 -29.083 9.438 2.204 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -30.595 9.364 2.408 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -28.555 10.811 2.567 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -31.367 10.350 1.561 1.00 0.00 C ATOM 0 H ILE A 106 -29.123 7.076 1.094 1.00 0.00 H new ATOM 0 HA ILE A 106 -29.161 9.838 0.082 1.00 0.00 H new ATOM 0 HB ILE A 106 -28.612 8.709 2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -30.936 8.355 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -30.821 9.545 3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -28.816 11.040 3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -27.471 10.825 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -28.998 11.557 1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -32.434 10.241 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -31.054 11.365 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -31.171 10.156 0.507 1.00 0.00 H new ATOM 1440 N GLY A 107 -26.631 10.295 0.501 1.00 0.00 N ATOM 1441 CA GLY A 107 -25.191 10.398 0.356 1.00 0.00 C ATOM 1442 C GLY A 107 -24.665 9.553 -0.778 1.00 0.00 C ATOM 1443 O GLY A 107 -23.613 8.929 -0.665 1.00 0.00 O ATOM 0 H GLY A 107 -27.127 11.186 0.525 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -24.919 11.440 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -24.712 10.092 1.286 1.00 0.00 H new ATOM 1447 N ASN A 108 -25.436 9.531 -1.847 1.00 0.00 N ATOM 1448 CA ASN A 108 -25.119 8.787 -3.067 1.00 0.00 C ATOM 1449 C ASN A 108 -24.777 7.325 -2.793 1.00 0.00 C ATOM 1450 O ASN A 108 -23.860 7.005 -2.039 1.00 0.00 O ATOM 1451 CB ASN A 108 -23.990 9.467 -3.837 1.00 0.00 C ATOM 1452 CG ASN A 108 -22.681 9.497 -3.076 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -22.494 10.529 -2.262 1.00 0.00 O flip ATOM 1454 ND2 ASN A 108 -21.845 8.605 -3.220 1.00 0.00 N flip ATOM 0 H ASN A 108 -26.320 10.037 -1.901 1.00 0.00 H new ATOM 0 HA ASN A 108 -26.020 8.792 -3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -23.840 8.948 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -24.286 10.488 -4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -22.031 7.830 -3.857 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -20.967 8.641 -2.703 1.00 0.00 H new ATOM 1461 N SER A 109 -25.514 6.441 -3.453 1.00 0.00 N ATOM 1462 CA SER A 109 -25.321 5.007 -3.307 1.00 0.00 C ATOM 1463 C SER A 109 -23.883 4.604 -3.620 1.00 0.00 C ATOM 1464 O SER A 109 -23.387 3.594 -3.120 1.00 0.00 O ATOM 1465 CB SER A 109 -26.286 4.263 -4.230 1.00 0.00 C ATOM 1466 OG SER A 109 -25.673 3.929 -5.464 1.00 0.00 O ATOM 0 H SER A 109 -26.259 6.698 -4.101 1.00 0.00 H new ATOM 0 HA SER A 109 -25.524 4.739 -2.270 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.634 3.355 -3.738 1.00 0.00 H new ATOM 0 HB3 SER A 109 -27.164 4.882 -4.415 1.00 0.00 H new ATOM 0 HG SER A 109 -25.412 4.749 -5.932 1.00 0.00 H new ATOM 1472 N GLY A 110 -23.228 5.388 -4.466 1.00 0.00 N ATOM 1473 CA GLY A 110 -21.861 5.086 -4.854 1.00 0.00 C ATOM 1474 C GLY A 110 -20.904 5.070 -3.676 1.00 0.00 C ATOM 1475 O GLY A 110 -20.951 5.947 -2.814 1.00 0.00 O ATOM 0 H GLY A 110 -23.618 6.229 -4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.835 4.116 -5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.523 5.825 -5.581 1.00 0.00 H new ATOM 1479 N VAL A 111 -20.033 4.065 -3.644 1.00 0.00 N ATOM 1480 CA VAL A 111 -19.047 3.928 -2.575 1.00 0.00 C ATOM 1481 C VAL A 111 -17.688 3.550 -3.151 1.00 0.00 C ATOM 1482 O VAL A 111 -17.585 2.618 -3.945 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.462 2.864 -1.545 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.762 3.106 -0.219 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.971 2.838 -1.358 1.00 0.00 C ATOM 0 H VAL A 111 -19.990 3.330 -4.350 1.00 0.00 H new ATOM 0 HA VAL A 111 -18.987 4.894 -2.073 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.156 1.890 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -19.067 2.344 0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.683 3.057 -0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -19.033 4.091 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -21.234 2.076 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.311 3.812 -1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.452 2.607 -2.309 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.648 4.274 -2.752 1.00 0.00 N ATOM 1496 CA LEU A 112 -15.305 4.017 -3.261 1.00 0.00 C ATOM 1497 C LEU A 112 -14.528 3.069 -2.356 1.00 0.00 C ATOM 1498 O LEU A 112 -14.347 3.335 -1.168 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.528 5.330 -3.408 1.00 0.00 C ATOM 1500 CG LEU A 112 -13.029 5.170 -3.695 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.316 6.508 -3.581 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -12.813 4.564 -5.074 1.00 0.00 C ATOM 0 H LEU A 112 -16.708 5.040 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.416 3.544 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.976 5.911 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.647 5.909 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.607 4.494 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.254 6.373 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.740 7.209 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.442 6.903 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -11.745 4.457 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -13.289 3.584 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.251 5.215 -5.830 1.00 0.00 H new ATOM 1514 N CYS A 113 -14.024 1.987 -2.941 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.189 1.046 -2.214 1.00 0.00 C ATOM 1516 C CYS A 113 -11.740 1.503 -2.281 1.00 0.00 C ATOM 1517 O CYS A 113 -11.116 1.455 -3.344 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.319 -0.356 -2.806 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.118 -1.562 -2.151 1.00 0.00 S ATOM 0 H CYS A 113 -14.182 1.743 -3.919 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.516 1.012 -1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.327 -0.725 -2.617 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.200 -0.293 -3.888 1.00 0.00 H new ATOM 1524 N SER A 114 -11.226 1.993 -1.159 1.00 0.00 N ATOM 1525 CA SER A 114 -9.862 2.492 -1.100 1.00 0.00 C ATOM 1526 C SER A 114 -9.315 2.416 0.317 1.00 0.00 C ATOM 1527 O SER A 114 -10.061 2.199 1.273 1.00 0.00 O ATOM 1528 CB SER A 114 -9.805 3.937 -1.601 1.00 0.00 C ATOM 1529 OG SER A 114 -8.477 4.316 -1.919 1.00 0.00 O ATOM 0 H SER A 114 -11.736 2.054 -0.278 1.00 0.00 H new ATOM 0 HA SER A 114 -9.245 1.864 -1.743 1.00 0.00 H new ATOM 0 HB2 SER A 114 -10.438 4.045 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.204 4.605 -0.838 1.00 0.00 H new ATOM 0 HG SER A 114 -8.469 5.243 -2.238 1.00 0.00 H new ATOM 1535 N GLY A 115 -8.006 2.589 0.444 1.00 0.00 N ATOM 1536 CA GLY A 115 -7.367 2.538 1.749 1.00 0.00 C ATOM 1537 C GLY A 115 -7.839 1.365 2.586 1.00 0.00 C ATOM 1538 O GLY A 115 -7.927 1.461 3.810 1.00 0.00 O ATOM 0 H GLY A 115 -7.371 2.764 -0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.287 2.474 1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.569 3.466 2.284 1.00 0.00 H new ATOM 1542 N GLY A 116 -8.150 0.257 1.922 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.620 -0.921 2.624 1.00 0.00 C ATOM 1544 C GLY A 116 -9.955 -0.698 3.305 1.00 0.00 C ATOM 1545 O GLY A 116 -10.329 -1.441 4.212 1.00 0.00 O ATOM 0 H GLY A 116 -8.085 0.154 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.709 -1.748 1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.881 -1.215 3.369 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.680 0.326 2.864 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.982 0.641 3.435 1.00 0.00 C ATOM 1551 C GLU A 117 -12.898 1.267 2.392 1.00 0.00 C ATOM 1552 O GLU A 117 -12.521 1.423 1.231 1.00 0.00 O ATOM 1553 CB GLU A 117 -11.824 1.589 4.624 1.00 0.00 C ATOM 1554 CG GLU A 117 -11.448 3.009 4.231 1.00 0.00 C ATOM 1555 CD GLU A 117 -10.984 3.837 5.413 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -10.268 3.289 6.278 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -11.339 5.033 5.476 1.00 0.00 O ATOM 0 H GLU A 117 -10.386 0.951 2.113 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.434 -0.290 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.758 1.612 5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.060 1.193 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.657 2.977 3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.307 3.494 3.768 1.00 0.00 H new ATOM 1564 N TRP A 118 -14.098 1.636 2.820 1.00 0.00 N ATOM 1565 CA TRP A 118 -15.072 2.242 1.929 1.00 0.00 C ATOM 1566 C TRP A 118 -15.332 3.692 2.315 1.00 0.00 C ATOM 1567 O TRP A 118 -15.651 3.992 3.465 1.00 0.00 O ATOM 1568 CB TRP A 118 -16.371 1.444 1.968 1.00 0.00 C ATOM 1569 CG TRP A 118 -16.230 0.076 1.381 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.897 -1.068 2.046 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -16.385 -0.288 0.005 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.850 -2.124 1.171 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -16.146 -1.671 -0.088 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.711 0.419 -1.156 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -16.220 -2.360 -1.294 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.785 -0.267 -2.354 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.544 -1.645 -2.414 1.00 0.00 C ATOM 0 H TRP A 118 -14.419 1.525 3.782 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.672 2.229 0.915 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.708 1.358 3.001 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -17.143 1.989 1.425 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -15.699 -1.133 3.106 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -15.630 -3.089 1.418 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.902 1.481 -1.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -16.028 -3.422 -1.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.033 0.269 -3.258 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.615 -2.154 -3.364 1.00 0.00 H new ATOM 1588 N SER A 119 -15.182 4.590 1.348 1.00 0.00 N ATOM 1589 CA SER A 119 -15.389 6.010 1.592 1.00 0.00 C ATOM 1590 C SER A 119 -16.672 6.502 0.935 1.00 0.00 C ATOM 1591 O SER A 119 -17.056 6.034 -0.137 1.00 0.00 O ATOM 1592 CB SER A 119 -14.198 6.817 1.071 1.00 0.00 C ATOM 1593 OG SER A 119 -13.343 6.012 0.278 1.00 0.00 O ATOM 0 H SER A 119 -14.918 4.359 0.390 1.00 0.00 H new ATOM 0 HA SER A 119 -15.479 6.153 2.669 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.557 7.661 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.639 7.229 1.911 1.00 0.00 H new ATOM 0 HG SER A 119 -12.591 6.552 -0.044 1.00 0.00 H new ATOM 1599 N ASP A 120 -17.327 7.453 1.588 1.00 0.00 N ATOM 1600 CA ASP A 120 -18.556 8.039 1.070 1.00 0.00 C ATOM 1601 C ASP A 120 -19.722 7.050 1.098 1.00 0.00 C ATOM 1602 O ASP A 120 -20.487 6.965 0.137 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.336 8.532 -0.361 1.00 0.00 C ATOM 1604 CG ASP A 120 -18.887 9.926 -0.587 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -18.859 10.394 -1.745 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -19.349 10.549 0.392 1.00 0.00 O ATOM 0 H ASP A 120 -17.025 7.837 2.483 1.00 0.00 H new ATOM 0 HA ASP A 120 -18.815 8.877 1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -17.269 8.526 -0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -18.811 7.840 -1.057 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.903 6.311 2.208 1.00 0.00 N ATOM 1612 CA PRO A 121 -21.015 5.368 2.344 1.00 0.00 C ATOM 1613 C PRO A 121 -22.348 6.100 2.475 1.00 0.00 C ATOM 1614 O PRO A 121 -22.431 7.137 3.133 1.00 0.00 O ATOM 1615 CB PRO A 121 -20.687 4.603 3.624 1.00 0.00 C ATOM 1616 CG PRO A 121 -19.849 5.545 4.419 1.00 0.00 C ATOM 1617 CD PRO A 121 -19.062 6.350 3.418 1.00 0.00 C ATOM 0 HA PRO A 121 -21.120 4.718 1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -21.593 4.326 4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -20.150 3.680 3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -20.470 6.192 5.038 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -19.185 5.003 5.092 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.901 7.372 3.762 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.079 5.916 3.238 1.00 0.00 H new ATOM 1625 N PRO A 122 -23.408 5.584 1.834 1.00 0.00 N ATOM 1626 CA PRO A 122 -24.716 6.225 1.837 1.00 0.00 C ATOM 1627 C PRO A 122 -25.607 5.793 2.987 1.00 0.00 C ATOM 1628 O PRO A 122 -25.179 5.104 3.912 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.318 5.757 0.520 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.720 4.410 0.277 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.399 4.371 0.997 1.00 0.00 C ATOM 0 HA PRO A 122 -24.627 7.305 1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.405 5.701 0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.079 6.446 -0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.381 3.624 0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.581 4.238 -0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.302 3.470 1.603 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.563 4.376 0.297 1.00 0.00 H new ATOM 1639 N THR A 123 -26.860 6.211 2.898 1.00 0.00 N ATOM 1640 CA THR A 123 -27.870 5.874 3.891 1.00 0.00 C ATOM 1641 C THR A 123 -29.197 5.585 3.206 1.00 0.00 C ATOM 1642 O THR A 123 -29.268 5.514 1.980 1.00 0.00 O ATOM 1643 CB THR A 123 -28.038 7.017 4.895 1.00 0.00 C ATOM 1644 OG1 THR A 123 -26.951 7.922 4.809 1.00 0.00 O ATOM 1645 CG2 THR A 123 -28.133 6.546 6.329 1.00 0.00 C ATOM 0 H THR A 123 -27.206 6.793 2.136 1.00 0.00 H new ATOM 0 HA THR A 123 -27.544 4.984 4.429 1.00 0.00 H new ATOM 0 HB THR A 123 -28.977 7.501 4.628 1.00 0.00 H new ATOM 0 HG1 THR A 123 -27.077 8.647 5.457 1.00 0.00 H new ATOM 0 HG21 THR A 123 -28.251 7.407 6.988 1.00 0.00 H new ATOM 0 HG22 THR A 123 -28.993 5.885 6.439 1.00 0.00 H new ATOM 0 HG23 THR A 123 -27.224 6.007 6.596 1.00 0.00 H new ATOM 1653 N CYS A 124 -30.246 5.423 3.998 1.00 0.00 N ATOM 1654 CA CYS A 124 -31.564 5.144 3.451 1.00 0.00 C ATOM 1655 C CYS A 124 -32.644 5.860 4.246 1.00 0.00 C ATOM 1656 O CYS A 124 -33.106 5.367 5.275 1.00 0.00 O ATOM 1657 CB CYS A 124 -31.823 3.639 3.440 1.00 0.00 C ATOM 1658 SG CYS A 124 -31.115 2.780 1.999 1.00 0.00 S ATOM 0 H CYS A 124 -30.211 5.480 5.016 1.00 0.00 H new ATOM 0 HA CYS A 124 -31.594 5.515 2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -31.411 3.202 4.350 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -32.899 3.465 3.462 1.00 0.00 H new ATOM 1663 N GLN A 125 -33.039 7.029 3.759 1.00 0.00 N ATOM 1664 CA GLN A 125 -34.056 7.824 4.421 1.00 0.00 C ATOM 1665 C GLN A 125 -35.152 8.226 3.447 1.00 0.00 C ATOM 1666 O GLN A 125 -34.938 8.272 2.236 1.00 0.00 O ATOM 1667 CB GLN A 125 -33.428 9.072 5.036 1.00 0.00 C ATOM 1668 CG GLN A 125 -32.744 8.809 6.364 1.00 0.00 C ATOM 1669 CD GLN A 125 -31.472 9.615 6.536 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -31.469 10.835 6.370 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -30.380 8.936 6.871 1.00 0.00 N ATOM 0 H GLN A 125 -32.667 7.446 2.905 1.00 0.00 H new ATOM 0 HA GLN A 125 -34.501 7.217 5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -32.701 9.486 4.337 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -34.201 9.827 5.177 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -33.432 9.046 7.176 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -32.510 7.747 6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -30.427 7.925 6.999 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -29.495 9.426 7.001 1.00 0.00 H new ATOM 1680 N ILE A 126 -36.324 8.520 3.987 1.00 0.00 N ATOM 1681 CA ILE A 126 -37.458 8.923 3.171 1.00 0.00 C ATOM 1682 C ILE A 126 -37.392 10.406 2.840 1.00 0.00 C ATOM 1683 O ILE A 126 -37.830 11.253 3.619 1.00 0.00 O ATOM 1684 CB ILE A 126 -38.792 8.613 3.867 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -38.875 7.123 4.185 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -39.964 9.040 2.997 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -39.040 6.251 2.960 1.00 0.00 C ATOM 0 H ILE A 126 -36.515 8.487 4.988 1.00 0.00 H new ATOM 0 HA ILE A 126 -37.406 8.347 2.247 1.00 0.00 H new ATOM 0 HB ILE A 126 -38.841 9.177 4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -37.972 6.822 4.716 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -39.714 6.950 4.860 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -40.899 8.812 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -39.906 10.112 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -39.928 8.503 2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -39.092 5.205 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -39.958 6.524 2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -38.189 6.395 2.294 1.00 0.00 H new