USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 765 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 NoAdj-H: A 33 HIS HD1 : A 33 HIS ND1 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 80 HIS HD1 : A 80 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 58 GLN : amide:sc= -1.33 X(o=-0.27,f=-0.19) USER MOD Set 1.2: A 61 LYS NZ :NH3+ 158:sc= 1.06 (180deg=-0.0375) USER MOD Set 2.1: A 22 GLN : amide:sc= -9.04! C(o=-13!,f=-14!) USER MOD Set 2.2: A 31 HIS : no HD1:sc= -4.25 K(o=-13,f=-16!) USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.00715 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.671 K(o=-0.67,f=-2.1!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00155 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.3) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0186 USER MOD Single : A 35 MET CE :methyl -150:sc= -0.256 (180deg=-1.08) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -129:sc= -0.682 (180deg=-4.03!) USER MOD Single : A 50 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 134:sc= -0.25 (180deg=-1.22) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0067 X(o=-0.0067,f=0) USER MOD Single : A 63 SER OG : rot 10:sc= 0.351! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= -0.0308 (180deg=-0.289) USER MOD Single : A 69 MET CE :methyl 149:sc= -1.65 (180deg=-4.07!) USER MOD Single : A 74 THR OG1 : rot -90:sc= -0.119 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 37:sc= 0.271 USER MOD Single : A 85 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.0038) USER MOD Single : A 88 MET CE :methyl -156:sc= -7.17! (180deg=-10.2!) USER MOD Single : A 89 LYS NZ :NH3+ -142:sc= -0.971 (180deg=-3.75!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN :FLIP amide:sc= 0.993 F(o=-0.83,f=0.99) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.772 -12.869 2.017 1.00 0.00 N ATOM 2 CA GLY A 1 -23.397 -12.766 0.619 1.00 0.00 C ATOM 3 C GLY A 1 -23.001 -11.356 0.228 1.00 0.00 C ATOM 4 O GLY A 1 -23.609 -10.385 0.680 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.651 -13.418 2.101 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.014 -13.346 2.545 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.920 -11.917 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.566 -13.442 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.231 -13.092 -0.003 1.00 0.00 H new ATOM 8 N SER A 2 -21.979 -11.242 -0.615 1.00 0.00 N ATOM 9 CA SER A 2 -21.500 -9.939 -1.062 1.00 0.00 C ATOM 10 C SER A 2 -22.649 -9.093 -1.601 1.00 0.00 C ATOM 11 O SER A 2 -23.551 -9.602 -2.265 1.00 0.00 O ATOM 12 CB SER A 2 -20.428 -10.110 -2.141 1.00 0.00 C ATOM 13 OG SER A 2 -20.100 -8.867 -2.735 1.00 0.00 O ATOM 0 H SER A 2 -21.467 -12.035 -1.002 1.00 0.00 H new ATOM 0 HA SER A 2 -21.065 -9.425 -0.205 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.534 -10.554 -1.703 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.785 -10.800 -2.906 1.00 0.00 H new ATOM 0 HG SER A 2 -19.412 -9.003 -3.420 1.00 0.00 H new ATOM 19 N SER A 3 -22.608 -7.797 -1.308 1.00 0.00 N ATOM 20 CA SER A 3 -23.647 -6.878 -1.759 1.00 0.00 C ATOM 21 C SER A 3 -23.273 -5.435 -1.439 1.00 0.00 C ATOM 22 O SER A 3 -22.874 -5.119 -0.319 1.00 0.00 O ATOM 23 CB SER A 3 -24.985 -7.228 -1.104 1.00 0.00 C ATOM 24 OG SER A 3 -26.072 -6.771 -1.890 1.00 0.00 O ATOM 0 H SER A 3 -21.867 -7.360 -0.760 1.00 0.00 H new ATOM 0 HA SER A 3 -23.742 -6.978 -2.840 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.057 -8.307 -0.971 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.036 -6.780 -0.112 1.00 0.00 H new ATOM 0 HG SER A 3 -26.916 -7.008 -1.451 1.00 0.00 H new ATOM 30 N GLY A 4 -23.405 -4.561 -2.432 1.00 0.00 N ATOM 31 CA GLY A 4 -23.077 -3.161 -2.238 1.00 0.00 C ATOM 32 C GLY A 4 -24.252 -2.357 -1.717 1.00 0.00 C ATOM 33 O GLY A 4 -25.259 -2.200 -2.407 1.00 0.00 O ATOM 0 H GLY A 4 -23.734 -4.798 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.246 -3.079 -1.538 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.740 -2.736 -3.183 1.00 0.00 H new ATOM 37 N SER A 5 -24.123 -1.846 -0.497 1.00 0.00 N ATOM 38 CA SER A 5 -25.185 -1.058 0.118 1.00 0.00 C ATOM 39 C SER A 5 -24.692 0.343 0.463 1.00 0.00 C ATOM 40 O SER A 5 -25.212 1.338 -0.041 1.00 0.00 O ATOM 41 CB SER A 5 -25.702 -1.755 1.378 1.00 0.00 C ATOM 42 OG SER A 5 -26.934 -1.197 1.800 1.00 0.00 O ATOM 0 H SER A 5 -23.294 -1.963 0.085 1.00 0.00 H new ATOM 0 HA SER A 5 -26.000 -0.970 -0.600 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.829 -2.820 1.182 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.965 -1.664 2.176 1.00 0.00 H new ATOM 0 HG SER A 5 -27.244 -1.661 2.606 1.00 0.00 H new ATOM 48 N SER A 6 -23.683 0.413 1.326 1.00 0.00 N ATOM 49 CA SER A 6 -23.121 1.692 1.743 1.00 0.00 C ATOM 50 C SER A 6 -22.336 2.337 0.605 1.00 0.00 C ATOM 51 O SER A 6 -22.691 3.412 0.123 1.00 0.00 O ATOM 52 CB SER A 6 -22.212 1.501 2.959 1.00 0.00 C ATOM 53 OG SER A 6 -21.601 2.723 3.336 1.00 0.00 O ATOM 0 H SER A 6 -23.238 -0.401 1.750 1.00 0.00 H new ATOM 0 HA SER A 6 -23.945 2.352 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.793 1.109 3.793 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.444 0.762 2.730 1.00 0.00 H new ATOM 0 HG SER A 6 -21.027 2.575 4.116 1.00 0.00 H new ATOM 59 N GLY A 7 -21.267 1.671 0.179 1.00 0.00 N ATOM 60 CA GLY A 7 -20.449 2.194 -0.899 1.00 0.00 C ATOM 61 C GLY A 7 -18.972 2.195 -0.558 1.00 0.00 C ATOM 62 O GLY A 7 -18.258 1.238 -0.856 1.00 0.00 O ATOM 0 H GLY A 7 -20.953 0.779 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.611 1.597 -1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.766 3.211 -1.131 1.00 0.00 H new ATOM 66 N ALA A 8 -18.511 3.274 0.068 1.00 0.00 N ATOM 67 CA ALA A 8 -17.110 3.395 0.450 1.00 0.00 C ATOM 68 C ALA A 8 -16.825 2.634 1.740 1.00 0.00 C ATOM 69 O ALA A 8 -17.038 3.151 2.836 1.00 0.00 O ATOM 70 CB ALA A 8 -16.731 4.860 0.604 1.00 0.00 C ATOM 0 H ALA A 8 -19.088 4.076 0.321 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.503 2.955 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.682 4.936 0.890 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.888 5.378 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -17.351 5.317 1.375 1.00 0.00 H new ATOM 76 N ASN A 9 -16.344 1.403 1.602 1.00 0.00 N ATOM 77 CA ASN A 9 -16.031 0.570 2.758 1.00 0.00 C ATOM 78 C ASN A 9 -14.691 -0.135 2.573 1.00 0.00 C ATOM 79 O ASN A 9 -14.075 -0.053 1.510 1.00 0.00 O ATOM 80 CB ASN A 9 -17.137 -0.463 2.982 1.00 0.00 C ATOM 81 CG ASN A 9 -18.335 0.121 3.707 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.235 1.161 4.356 1.00 0.00 O ATOM 83 ND2 ASN A 9 -19.476 -0.549 3.597 1.00 0.00 N ATOM 0 H ASN A 9 -16.162 0.960 0.701 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.964 1.216 3.633 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.457 -0.863 2.020 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.739 -1.299 3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.316 -0.205 4.062 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.512 -1.408 3.048 1.00 0.00 H new ATOM 90 N CYS A 10 -14.245 -0.828 3.616 1.00 0.00 N ATOM 91 CA CYS A 10 -12.978 -1.549 3.570 1.00 0.00 C ATOM 92 C CYS A 10 -13.030 -2.675 2.543 1.00 0.00 C ATOM 93 O CYS A 10 -14.060 -3.327 2.372 1.00 0.00 O ATOM 94 CB CYS A 10 -12.641 -2.117 4.950 1.00 0.00 C ATOM 95 SG CYS A 10 -10.926 -2.709 5.112 1.00 0.00 S ATOM 0 H CYS A 10 -14.742 -0.905 4.503 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.199 -0.847 3.273 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.821 -1.348 5.701 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.321 -2.941 5.168 1.00 0.00 H new ATOM 100 N ALA A 11 -11.911 -2.899 1.861 1.00 0.00 N ATOM 101 CA ALA A 11 -11.828 -3.948 0.853 1.00 0.00 C ATOM 102 C ALA A 11 -11.273 -5.238 1.447 1.00 0.00 C ATOM 103 O ALA A 11 -11.048 -6.216 0.733 1.00 0.00 O ATOM 104 CB ALA A 11 -10.968 -3.490 -0.316 1.00 0.00 C ATOM 0 H ALA A 11 -11.050 -2.368 1.989 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.836 -4.150 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.915 -4.284 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.408 -2.600 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.964 -3.258 0.040 1.00 0.00 H new ATOM 110 N VAL A 12 -11.052 -5.233 2.758 1.00 0.00 N ATOM 111 CA VAL A 12 -10.523 -6.404 3.448 1.00 0.00 C ATOM 112 C VAL A 12 -11.555 -6.992 4.403 1.00 0.00 C ATOM 113 O VAL A 12 -11.763 -8.205 4.440 1.00 0.00 O ATOM 114 CB VAL A 12 -9.246 -6.060 4.238 1.00 0.00 C ATOM 115 CG1 VAL A 12 -8.895 -7.184 5.200 1.00 0.00 C ATOM 116 CG2 VAL A 12 -8.092 -5.779 3.288 1.00 0.00 C ATOM 0 H VAL A 12 -11.231 -4.432 3.363 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.281 -7.140 2.682 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.432 -5.159 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.990 -6.924 5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.716 -7.332 5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.727 -8.104 4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.198 -5.538 3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.902 -6.660 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.347 -4.937 2.644 1.00 0.00 H new ATOM 126 N CYS A 13 -12.202 -6.124 5.174 1.00 0.00 N ATOM 127 CA CYS A 13 -13.214 -6.556 6.130 1.00 0.00 C ATOM 128 C CYS A 13 -14.615 -6.217 5.630 1.00 0.00 C ATOM 129 O CYS A 13 -15.585 -6.899 5.959 1.00 0.00 O ATOM 130 CB CYS A 13 -12.974 -5.899 7.491 1.00 0.00 C ATOM 131 SG CYS A 13 -13.280 -4.104 7.514 1.00 0.00 S ATOM 0 H CYS A 13 -12.043 -5.117 5.155 1.00 0.00 H new ATOM 0 HA CYS A 13 -13.137 -7.638 6.237 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.617 -6.376 8.231 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -11.944 -6.085 7.796 1.00 0.00 H new ATOM 136 N ASP A 14 -14.712 -5.159 4.832 1.00 0.00 N ATOM 137 CA ASP A 14 -15.994 -4.729 4.285 1.00 0.00 C ATOM 138 C ASP A 14 -16.857 -4.085 5.365 1.00 0.00 C ATOM 139 O ASP A 14 -18.041 -4.396 5.495 1.00 0.00 O ATOM 140 CB ASP A 14 -16.732 -5.917 3.665 1.00 0.00 C ATOM 141 CG ASP A 14 -17.857 -5.484 2.746 1.00 0.00 C ATOM 142 OD1 ASP A 14 -18.502 -4.456 3.041 1.00 0.00 O ATOM 143 OD2 ASP A 14 -18.092 -6.172 1.731 1.00 0.00 O ATOM 0 H ASP A 14 -13.919 -4.584 4.550 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.800 -3.987 3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.024 -6.528 3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.137 -6.544 4.459 1.00 0.00 H new ATOM 148 N SER A 15 -16.256 -3.186 6.137 1.00 0.00 N ATOM 149 CA SER A 15 -16.969 -2.501 7.210 1.00 0.00 C ATOM 150 C SER A 15 -16.595 -1.022 7.253 1.00 0.00 C ATOM 151 O SER A 15 -15.474 -0.630 6.929 1.00 0.00 O ATOM 152 CB SER A 15 -16.660 -3.156 8.557 1.00 0.00 C ATOM 153 OG SER A 15 -17.544 -4.234 8.814 1.00 0.00 O ATOM 0 H SER A 15 -15.278 -2.915 6.040 1.00 0.00 H new ATOM 0 HA SER A 15 -18.038 -2.582 7.012 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.631 -3.516 8.563 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.743 -2.416 9.353 1.00 0.00 H new ATOM 0 HG SER A 15 -17.325 -4.637 9.680 1.00 0.00 H new ATOM 159 N PRO A 16 -17.556 -0.181 7.663 1.00 0.00 N ATOM 160 CA PRO A 16 -17.352 1.267 7.759 1.00 0.00 C ATOM 161 C PRO A 16 -16.402 1.645 8.891 1.00 0.00 C ATOM 162 O PRO A 16 -15.490 2.449 8.707 1.00 0.00 O ATOM 163 CB PRO A 16 -18.757 1.806 8.038 1.00 0.00 C ATOM 164 CG PRO A 16 -19.476 0.671 8.683 1.00 0.00 C ATOM 165 CD PRO A 16 -18.915 -0.579 8.064 1.00 0.00 C ATOM 0 HA PRO A 16 -16.896 1.675 6.857 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.724 2.677 8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.252 2.117 7.118 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.323 0.675 9.762 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.550 0.742 8.513 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -18.898 -1.406 8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.507 -0.905 7.209 1.00 0.00 H new ATOM 173 N GLY A 17 -16.623 1.058 10.064 1.00 0.00 N ATOM 174 CA GLY A 17 -15.778 1.346 11.208 1.00 0.00 C ATOM 175 C GLY A 17 -15.328 2.793 11.247 1.00 0.00 C ATOM 176 O GLY A 17 -16.153 3.707 11.252 1.00 0.00 O ATOM 0 H GLY A 17 -17.372 0.389 10.242 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.320 1.113 12.124 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.903 0.697 11.182 1.00 0.00 H new ATOM 180 N ASP A 18 -14.017 3.002 11.276 1.00 0.00 N ATOM 181 CA ASP A 18 -13.458 4.348 11.315 1.00 0.00 C ATOM 182 C ASP A 18 -12.910 4.749 9.949 1.00 0.00 C ATOM 183 O ASP A 18 -12.278 3.946 9.261 1.00 0.00 O ATOM 184 CB ASP A 18 -12.351 4.433 12.367 1.00 0.00 C ATOM 185 CG ASP A 18 -12.160 5.842 12.894 1.00 0.00 C ATOM 186 OD1 ASP A 18 -11.920 6.754 12.076 1.00 0.00 O ATOM 187 OD2 ASP A 18 -12.249 6.032 14.126 1.00 0.00 O ATOM 0 H ASP A 18 -13.321 2.256 11.273 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.257 5.039 11.583 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.590 3.767 13.196 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.415 4.080 11.934 1.00 0.00 H new ATOM 192 N LEU A 19 -13.157 5.996 9.561 1.00 0.00 N ATOM 193 CA LEU A 19 -12.689 6.504 8.276 1.00 0.00 C ATOM 194 C LEU A 19 -11.339 7.199 8.424 1.00 0.00 C ATOM 195 O LEU A 19 -10.512 7.171 7.512 1.00 0.00 O ATOM 196 CB LEU A 19 -13.713 7.476 7.687 1.00 0.00 C ATOM 197 CG LEU A 19 -14.914 6.840 6.984 1.00 0.00 C ATOM 198 CD1 LEU A 19 -14.461 6.042 5.771 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.689 5.955 7.948 1.00 0.00 C ATOM 0 H LEU A 19 -13.678 6.673 10.118 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.569 5.657 7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.083 8.114 8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.202 8.124 6.975 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.575 7.637 6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.328 5.597 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -13.951 6.703 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.779 5.253 6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.540 5.511 7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.037 5.164 8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.046 6.555 8.785 1.00 0.00 H new ATOM 211 N LEU A 20 -11.122 7.818 9.579 1.00 0.00 N ATOM 212 CA LEU A 20 -9.871 8.519 9.848 1.00 0.00 C ATOM 213 C LEU A 20 -8.728 7.530 10.057 1.00 0.00 C ATOM 214 O LEU A 20 -7.702 7.599 9.380 1.00 0.00 O ATOM 215 CB LEU A 20 -10.018 9.413 11.080 1.00 0.00 C ATOM 216 CG LEU A 20 -10.765 10.730 10.867 1.00 0.00 C ATOM 217 CD1 LEU A 20 -12.247 10.473 10.642 1.00 0.00 C ATOM 218 CD2 LEU A 20 -10.557 11.659 12.054 1.00 0.00 C ATOM 0 H LEU A 20 -11.796 7.849 10.344 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.638 9.140 8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.534 8.847 11.856 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.022 9.640 11.460 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.362 11.214 9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.762 11.422 10.492 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.378 9.846 9.760 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.665 9.967 11.512 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.096 12.591 11.885 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.932 11.182 12.959 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.494 11.870 12.169 1.00 0.00 H new ATOM 230 N ASP A 21 -8.913 6.610 10.997 1.00 0.00 N ATOM 231 CA ASP A 21 -7.899 5.605 11.294 1.00 0.00 C ATOM 232 C ASP A 21 -7.402 4.941 10.014 1.00 0.00 C ATOM 233 O ASP A 21 -6.199 4.763 9.823 1.00 0.00 O ATOM 234 CB ASP A 21 -8.461 4.548 12.246 1.00 0.00 C ATOM 235 CG ASP A 21 -8.625 5.072 13.660 1.00 0.00 C ATOM 236 OD1 ASP A 21 -7.716 5.783 14.138 1.00 0.00 O ATOM 237 OD2 ASP A 21 -9.662 4.771 14.287 1.00 0.00 O ATOM 0 H ASP A 21 -9.756 6.539 11.567 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.057 6.104 11.774 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.427 4.205 11.874 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.798 3.683 12.257 1.00 0.00 H new ATOM 242 N GLN A 22 -8.336 4.575 9.141 1.00 0.00 N ATOM 243 CA GLN A 22 -7.991 3.928 7.881 1.00 0.00 C ATOM 244 C GLN A 22 -7.361 4.924 6.913 1.00 0.00 C ATOM 245 O GLN A 22 -7.406 6.135 7.134 1.00 0.00 O ATOM 246 CB GLN A 22 -9.235 3.302 7.248 1.00 0.00 C ATOM 247 CG GLN A 22 -10.347 4.301 6.972 1.00 0.00 C ATOM 248 CD GLN A 22 -11.587 3.649 6.394 1.00 0.00 C ATOM 249 OE1 GLN A 22 -11.934 2.523 6.750 1.00 0.00 O ATOM 250 NE2 GLN A 22 -12.264 4.356 5.496 1.00 0.00 N ATOM 0 H GLN A 22 -9.336 4.716 9.283 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.264 3.143 8.091 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.952 2.819 6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.615 2.522 7.908 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.608 4.813 7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.984 5.061 6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.940 5.286 5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.107 3.969 5.073 1.00 0.00 H new ATOM 259 N PHE A 23 -6.774 4.407 5.838 1.00 0.00 N ATOM 260 CA PHE A 23 -6.133 5.251 4.837 1.00 0.00 C ATOM 261 C PHE A 23 -6.976 5.324 3.567 1.00 0.00 C ATOM 262 O PHE A 23 -7.835 4.475 3.329 1.00 0.00 O ATOM 263 CB PHE A 23 -4.738 4.717 4.506 1.00 0.00 C ATOM 264 CG PHE A 23 -3.880 4.490 5.717 1.00 0.00 C ATOM 265 CD1 PHE A 23 -4.000 3.327 6.460 1.00 0.00 C ATOM 266 CD2 PHE A 23 -2.952 5.441 6.113 1.00 0.00 C ATOM 267 CE1 PHE A 23 -3.212 3.117 7.576 1.00 0.00 C ATOM 268 CE2 PHE A 23 -2.161 5.236 7.228 1.00 0.00 C ATOM 269 CZ PHE A 23 -2.290 4.072 7.959 1.00 0.00 C ATOM 0 H PHE A 23 -6.729 3.408 5.638 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.041 6.256 5.250 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.837 3.779 3.960 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.236 5.421 3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.717 2.576 6.164 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.846 6.353 5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.317 2.207 8.148 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.443 5.985 7.527 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.671 3.908 8.829 1.00 0.00 H new ATOM 279 N PHE A 24 -6.726 6.346 2.756 1.00 0.00 N ATOM 280 CA PHE A 24 -7.462 6.533 1.511 1.00 0.00 C ATOM 281 C PHE A 24 -6.508 6.634 0.324 1.00 0.00 C ATOM 282 O PHE A 24 -5.806 7.633 0.162 1.00 0.00 O ATOM 283 CB PHE A 24 -8.331 7.790 1.591 1.00 0.00 C ATOM 284 CG PHE A 24 -8.728 8.330 0.247 1.00 0.00 C ATOM 285 CD1 PHE A 24 -9.890 7.900 -0.372 1.00 0.00 C ATOM 286 CD2 PHE A 24 -7.938 9.269 -0.398 1.00 0.00 C ATOM 287 CE1 PHE A 24 -10.259 8.396 -1.609 1.00 0.00 C ATOM 288 CE2 PHE A 24 -8.301 9.768 -1.634 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.462 9.331 -2.241 1.00 0.00 C ATOM 0 H PHE A 24 -6.019 7.058 2.939 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.104 5.665 1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.231 7.564 2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.790 8.562 2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.516 7.168 0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.029 9.614 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -11.168 8.053 -2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.677 10.500 -2.126 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.746 9.719 -3.208 1.00 0.00 H new ATOM 299 N CYS A 25 -6.488 5.594 -0.502 1.00 0.00 N ATOM 300 CA CYS A 25 -5.620 5.564 -1.673 1.00 0.00 C ATOM 301 C CYS A 25 -5.880 6.768 -2.573 1.00 0.00 C ATOM 302 O CYS A 25 -6.972 7.338 -2.569 1.00 0.00 O ATOM 303 CB CYS A 25 -5.836 4.269 -2.460 1.00 0.00 C ATOM 304 SG CYS A 25 -4.693 4.053 -3.862 1.00 0.00 S ATOM 0 H CYS A 25 -7.063 4.760 -0.382 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.586 5.605 -1.330 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.727 3.422 -1.782 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.860 4.249 -2.833 1.00 0.00 H new ATOM 309 N THR A 26 -4.868 7.152 -3.346 1.00 0.00 N ATOM 310 CA THR A 26 -4.985 8.288 -4.250 1.00 0.00 C ATOM 311 C THR A 26 -5.225 7.828 -5.684 1.00 0.00 C ATOM 312 O THR A 26 -5.903 8.503 -6.459 1.00 0.00 O ATOM 313 CB THR A 26 -3.722 9.170 -4.211 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.551 8.354 -4.328 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.662 9.971 -2.920 1.00 0.00 C ATOM 0 H THR A 26 -3.958 6.692 -3.363 1.00 0.00 H new ATOM 0 HA THR A 26 -5.839 8.874 -3.911 1.00 0.00 H new ATOM 0 HB THR A 26 -3.764 9.865 -5.049 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.753 8.922 -4.304 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.762 10.586 -2.915 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.540 10.612 -2.849 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.640 9.289 -2.070 1.00 0.00 H new ATOM 323 N THR A 27 -4.666 6.673 -6.031 1.00 0.00 N ATOM 324 CA THR A 27 -4.819 6.122 -7.371 1.00 0.00 C ATOM 325 C THR A 27 -6.241 5.625 -7.603 1.00 0.00 C ATOM 326 O THR A 27 -6.971 6.165 -8.436 1.00 0.00 O ATOM 327 CB THR A 27 -3.836 4.962 -7.618 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.489 5.416 -7.444 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.008 4.395 -9.019 1.00 0.00 C ATOM 0 H THR A 27 -4.103 6.101 -5.402 1.00 0.00 H new ATOM 0 HA THR A 27 -4.600 6.929 -8.070 1.00 0.00 H new ATOM 0 HB THR A 27 -4.050 4.174 -6.896 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.870 4.672 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.303 3.577 -9.170 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.026 4.023 -9.139 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.819 5.177 -9.754 1.00 0.00 H new ATOM 337 N CYS A 28 -6.631 4.595 -6.860 1.00 0.00 N ATOM 338 CA CYS A 28 -7.967 4.025 -6.983 1.00 0.00 C ATOM 339 C CYS A 28 -8.959 4.764 -6.089 1.00 0.00 C ATOM 340 O CYS A 28 -10.068 5.090 -6.510 1.00 0.00 O ATOM 341 CB CYS A 28 -7.946 2.539 -6.621 1.00 0.00 C ATOM 342 SG CYS A 28 -7.681 2.209 -4.849 1.00 0.00 S ATOM 0 H CYS A 28 -6.040 4.138 -6.166 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.287 4.135 -8.019 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -8.890 2.088 -6.926 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.159 2.048 -7.193 1.00 0.00 H new ATOM 347 N GLY A 29 -8.550 5.025 -4.851 1.00 0.00 N ATOM 348 CA GLY A 29 -9.413 5.723 -3.917 1.00 0.00 C ATOM 349 C GLY A 29 -10.200 4.775 -3.034 1.00 0.00 C ATOM 350 O GLY A 29 -11.379 5.002 -2.764 1.00 0.00 O ATOM 0 H GLY A 29 -7.637 4.765 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.809 6.380 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.105 6.357 -4.471 1.00 0.00 H new ATOM 354 N GLN A 30 -9.546 3.708 -2.584 1.00 0.00 N ATOM 355 CA GLN A 30 -10.194 2.720 -1.729 1.00 0.00 C ATOM 356 C GLN A 30 -9.939 3.025 -0.257 1.00 0.00 C ATOM 357 O GLN A 30 -9.224 3.971 0.078 1.00 0.00 O ATOM 358 CB GLN A 30 -9.692 1.315 -2.066 1.00 0.00 C ATOM 359 CG GLN A 30 -10.498 0.626 -3.155 1.00 0.00 C ATOM 360 CD GLN A 30 -11.605 -0.247 -2.597 1.00 0.00 C ATOM 361 OE1 GLN A 30 -11.611 -1.462 -2.793 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.550 0.371 -1.897 1.00 0.00 N ATOM 0 H GLN A 30 -8.569 3.506 -2.797 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.268 2.767 -1.911 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.650 1.376 -2.380 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.718 0.703 -1.164 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.931 1.379 -3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.831 0.016 -3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.505 1.381 -1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.321 -0.164 -1.497 1.00 0.00 H new ATOM 371 N HIS A 31 -10.528 2.218 0.620 1.00 0.00 N ATOM 372 CA HIS A 31 -10.364 2.402 2.058 1.00 0.00 C ATOM 373 C HIS A 31 -9.799 1.142 2.706 1.00 0.00 C ATOM 374 O HIS A 31 -10.149 0.025 2.324 1.00 0.00 O ATOM 375 CB HIS A 31 -11.702 2.764 2.703 1.00 0.00 C ATOM 376 CG HIS A 31 -12.418 3.883 2.011 1.00 0.00 C ATOM 377 ND1 HIS A 31 -12.934 4.974 2.678 1.00 0.00 N ATOM 378 CD2 HIS A 31 -12.700 4.077 0.701 1.00 0.00 C ATOM 379 CE1 HIS A 31 -13.504 5.789 1.810 1.00 0.00 C ATOM 380 NE2 HIS A 31 -13.376 5.269 0.602 1.00 0.00 N ATOM 0 H HIS A 31 -11.123 1.431 0.360 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.660 3.219 2.217 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.343 1.882 2.709 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.531 3.041 3.743 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.442 3.418 -0.114 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.992 6.723 2.047 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.722 5.685 -0.263 1.00 0.00 H new ATOM 389 N TYR A 32 -8.922 1.329 3.686 1.00 0.00 N ATOM 390 CA TYR A 32 -8.306 0.207 4.384 1.00 0.00 C ATOM 391 C TYR A 32 -7.886 0.608 5.795 1.00 0.00 C ATOM 392 O TYR A 32 -7.150 1.577 5.985 1.00 0.00 O ATOM 393 CB TYR A 32 -7.092 -0.302 3.604 1.00 0.00 C ATOM 394 CG TYR A 32 -7.435 -0.835 2.231 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.875 -2.143 2.062 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.320 -0.032 1.104 1.00 0.00 C ATOM 397 CE1 TYR A 32 -8.188 -2.634 0.810 1.00 0.00 C ATOM 398 CE2 TYR A 32 -7.633 -0.515 -0.152 1.00 0.00 C ATOM 399 CZ TYR A 32 -8.066 -1.816 -0.294 1.00 0.00 C ATOM 400 OH TYR A 32 -8.378 -2.301 -1.543 1.00 0.00 O ATOM 0 H TYR A 32 -8.622 2.247 4.015 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.044 -0.592 4.457 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.371 0.509 3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.605 -1.090 4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.974 -2.786 2.924 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.980 0.988 1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -8.527 -3.653 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.539 0.123 -1.018 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.239 -1.598 -2.211 1.00 0.00 H new ATOM 410 N HIS A 33 -8.358 -0.146 6.783 1.00 0.00 N ATOM 411 CA HIS A 33 -8.031 0.129 8.178 1.00 0.00 C ATOM 412 C HIS A 33 -6.570 -0.201 8.468 1.00 0.00 C ATOM 413 O HIS A 33 -5.947 -0.988 7.757 1.00 0.00 O ATOM 414 CB HIS A 33 -8.942 -0.676 9.105 1.00 0.00 C ATOM 415 CG HIS A 33 -10.401 -0.424 8.878 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.277 -1.401 8.456 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.137 0.704 9.019 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.488 -0.886 8.345 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.430 0.390 8.682 1.00 0.00 N ATOM 0 H HIS A 33 -8.968 -0.952 6.644 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.188 1.192 8.360 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.739 -1.738 8.967 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.697 -0.436 10.140 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.774 1.670 9.337 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.375 -1.417 8.032 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.218 1.037 8.690 1.00 0.00 H new ATOM 427 N GLY A 34 -6.028 0.407 9.520 1.00 0.00 N ATOM 428 CA GLY A 34 -4.645 0.165 9.885 1.00 0.00 C ATOM 429 C GLY A 34 -4.411 -1.254 10.364 1.00 0.00 C ATOM 430 O GLY A 34 -3.335 -1.815 10.159 1.00 0.00 O ATOM 0 H GLY A 34 -6.523 1.062 10.125 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.005 0.365 9.025 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.352 0.863 10.669 1.00 0.00 H new ATOM 434 N MET A 35 -5.420 -1.834 11.005 1.00 0.00 N ATOM 435 CA MET A 35 -5.318 -3.197 11.515 1.00 0.00 C ATOM 436 C MET A 35 -5.534 -4.213 10.398 1.00 0.00 C ATOM 437 O MET A 35 -4.711 -5.104 10.188 1.00 0.00 O ATOM 438 CB MET A 35 -6.340 -3.424 12.631 1.00 0.00 C ATOM 439 CG MET A 35 -6.474 -4.880 13.045 1.00 0.00 C ATOM 440 SD MET A 35 -6.960 -5.070 14.771 1.00 0.00 S ATOM 441 CE MET A 35 -5.544 -4.354 15.602 1.00 0.00 C ATOM 0 H MET A 35 -6.317 -1.382 11.184 1.00 0.00 H new ATOM 0 HA MET A 35 -4.314 -3.334 11.917 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.054 -2.832 13.501 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.312 -3.057 12.302 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.212 -5.368 12.408 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.524 -5.389 12.881 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.410 -4.834 16.572 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.651 -4.506 14.996 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.708 -3.286 15.745 1.00 0.00 H new ATOM 451 N CYS A 36 -6.645 -4.072 9.683 1.00 0.00 N ATOM 452 CA CYS A 36 -6.969 -4.978 8.587 1.00 0.00 C ATOM 453 C CYS A 36 -5.725 -5.311 7.770 1.00 0.00 C ATOM 454 O CYS A 36 -5.516 -6.460 7.376 1.00 0.00 O ATOM 455 CB CYS A 36 -8.035 -4.357 7.683 1.00 0.00 C ATOM 456 SG CYS A 36 -9.746 -4.755 8.167 1.00 0.00 S ATOM 0 H CYS A 36 -7.336 -3.339 9.843 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.358 -5.902 9.015 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.911 -3.274 7.684 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -7.870 -4.695 6.660 1.00 0.00 H new ATOM 461 N LEU A 37 -4.901 -4.300 7.519 1.00 0.00 N ATOM 462 CA LEU A 37 -3.675 -4.485 6.749 1.00 0.00 C ATOM 463 C LEU A 37 -2.484 -4.725 7.671 1.00 0.00 C ATOM 464 O LEU A 37 -1.440 -5.213 7.238 1.00 0.00 O ATOM 465 CB LEU A 37 -3.414 -3.262 5.868 1.00 0.00 C ATOM 466 CG LEU A 37 -4.036 -3.296 4.471 1.00 0.00 C ATOM 467 CD1 LEU A 37 -5.552 -3.218 4.560 1.00 0.00 C ATOM 468 CD2 LEU A 37 -3.491 -2.161 3.617 1.00 0.00 C ATOM 0 H LEU A 37 -5.059 -3.344 7.837 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.802 -5.362 6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.785 -2.379 6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.336 -3.139 5.761 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.768 -4.241 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.977 -3.243 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.927 -4.065 5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.840 -2.289 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.944 -2.201 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.728 -1.206 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.410 -2.262 3.525 1.00 0.00 H new ATOM 480 N ASP A 38 -2.649 -4.382 8.943 1.00 0.00 N ATOM 481 CA ASP A 38 -1.588 -4.563 9.928 1.00 0.00 C ATOM 482 C ASP A 38 -0.445 -3.583 9.682 1.00 0.00 C ATOM 483 O ASP A 38 0.727 -3.954 9.741 1.00 0.00 O ATOM 484 CB ASP A 38 -1.063 -5.999 9.884 1.00 0.00 C ATOM 485 CG ASP A 38 -2.165 -7.011 9.641 1.00 0.00 C ATOM 486 OD1 ASP A 38 -2.887 -7.346 10.604 1.00 0.00 O ATOM 487 OD2 ASP A 38 -2.306 -7.469 8.488 1.00 0.00 O ATOM 0 H ASP A 38 -3.507 -3.977 9.317 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.005 -4.366 10.916 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.314 -6.085 9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.563 -6.229 10.825 1.00 0.00 H new ATOM 492 N ILE A 39 -0.795 -2.331 9.406 1.00 0.00 N ATOM 493 CA ILE A 39 0.201 -1.298 9.152 1.00 0.00 C ATOM 494 C ILE A 39 0.296 -0.325 10.322 1.00 0.00 C ATOM 495 O ILE A 39 -0.694 -0.061 11.004 1.00 0.00 O ATOM 496 CB ILE A 39 -0.120 -0.510 7.868 1.00 0.00 C ATOM 497 CG1 ILE A 39 -0.249 -1.463 6.678 1.00 0.00 C ATOM 498 CG2 ILE A 39 0.955 0.534 7.604 1.00 0.00 C ATOM 499 CD1 ILE A 39 -0.839 -0.813 5.446 1.00 0.00 C ATOM 0 H ILE A 39 -1.761 -2.008 9.353 1.00 0.00 H new ATOM 0 HA ILE A 39 1.157 -1.806 9.027 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.072 0.004 8.003 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.736 -1.861 6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.872 -2.309 6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.714 1.082 6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.003 1.228 8.443 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.920 0.041 7.486 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.901 -1.546 4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.837 -0.439 5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.204 0.016 5.133 1.00 0.00 H new ATOM 511 N ALA A 40 1.492 0.207 10.547 1.00 0.00 N ATOM 512 CA ALA A 40 1.716 1.154 11.633 1.00 0.00 C ATOM 513 C ALA A 40 1.399 2.579 11.191 1.00 0.00 C ATOM 514 O ALA A 40 2.116 3.162 10.378 1.00 0.00 O ATOM 515 CB ALA A 40 3.151 1.060 12.128 1.00 0.00 C ATOM 0 H ALA A 40 2.322 -0.001 9.992 1.00 0.00 H new ATOM 0 HA ALA A 40 1.044 0.897 12.452 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.304 1.773 12.939 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.345 0.051 12.491 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.834 1.289 11.310 1.00 0.00 H new ATOM 521 N VAL A 41 0.319 3.135 11.732 1.00 0.00 N ATOM 522 CA VAL A 41 -0.093 4.492 11.395 1.00 0.00 C ATOM 523 C VAL A 41 1.028 5.489 11.664 1.00 0.00 C ATOM 524 O VAL A 41 1.439 5.685 12.809 1.00 0.00 O ATOM 525 CB VAL A 41 -1.343 4.913 12.190 1.00 0.00 C ATOM 526 CG1 VAL A 41 -1.749 6.335 11.833 1.00 0.00 C ATOM 527 CG2 VAL A 41 -2.487 3.944 11.936 1.00 0.00 C ATOM 0 H VAL A 41 -0.286 2.666 12.406 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.331 4.496 10.331 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.103 4.885 13.253 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.634 6.615 12.404 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.933 7.017 12.071 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.972 6.393 10.768 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.362 4.257 12.506 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.729 3.938 10.873 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.191 2.942 12.247 1.00 0.00 H new ATOM 537 N THR A 42 1.520 6.120 10.602 1.00 0.00 N ATOM 538 CA THR A 42 2.594 7.097 10.724 1.00 0.00 C ATOM 539 C THR A 42 2.259 8.379 9.970 1.00 0.00 C ATOM 540 O THR A 42 1.463 8.385 9.031 1.00 0.00 O ATOM 541 CB THR A 42 3.927 6.537 10.192 1.00 0.00 C ATOM 542 OG1 THR A 42 3.710 5.845 8.958 1.00 0.00 O ATOM 543 CG2 THR A 42 4.559 5.593 11.204 1.00 0.00 C ATOM 0 H THR A 42 1.191 5.971 9.648 1.00 0.00 H new ATOM 0 HA THR A 42 2.699 7.319 11.786 1.00 0.00 H new ATOM 0 HB THR A 42 4.606 7.373 10.025 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.562 5.494 8.626 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.499 5.210 10.807 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.750 6.130 12.133 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.882 4.761 11.398 1.00 0.00 H new ATOM 551 N PRO A 43 2.879 9.492 10.389 1.00 0.00 N ATOM 552 CA PRO A 43 2.662 10.801 9.766 1.00 0.00 C ATOM 553 C PRO A 43 3.256 10.881 8.363 1.00 0.00 C ATOM 554 O PRO A 43 3.214 11.930 7.719 1.00 0.00 O ATOM 555 CB PRO A 43 3.386 11.767 10.708 1.00 0.00 C ATOM 556 CG PRO A 43 4.428 10.937 11.374 1.00 0.00 C ATOM 557 CD PRO A 43 3.840 9.559 11.503 1.00 0.00 C ATOM 0 HA PRO A 43 1.602 11.021 9.639 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.832 12.596 10.159 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.699 12.199 11.436 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.345 10.916 10.786 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.685 11.344 12.352 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.605 8.787 11.421 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.349 9.420 12.466 1.00 0.00 H new ATOM 565 N LEU A 44 3.807 9.767 7.895 1.00 0.00 N ATOM 566 CA LEU A 44 4.409 9.710 6.568 1.00 0.00 C ATOM 567 C LEU A 44 3.483 9.009 5.579 1.00 0.00 C ATOM 568 O LEU A 44 3.225 9.515 4.487 1.00 0.00 O ATOM 569 CB LEU A 44 5.754 8.984 6.626 1.00 0.00 C ATOM 570 CG LEU A 44 6.716 9.260 5.470 1.00 0.00 C ATOM 571 CD1 LEU A 44 8.069 8.617 5.737 1.00 0.00 C ATOM 572 CD2 LEU A 44 6.133 8.754 4.159 1.00 0.00 C ATOM 0 H LEU A 44 3.849 8.891 8.415 1.00 0.00 H new ATOM 0 HA LEU A 44 4.569 10.732 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.250 9.255 7.558 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.564 7.911 6.666 1.00 0.00 H new ATOM 0 HG LEU A 44 6.858 10.338 5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.741 8.824 4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.492 9.027 6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.945 7.539 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.831 8.959 3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.961 7.680 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.188 9.260 3.961 1.00 0.00 H new ATOM 584 N LYS A 45 2.983 7.842 5.971 1.00 0.00 N ATOM 585 CA LYS A 45 2.082 7.071 5.122 1.00 0.00 C ATOM 586 C LYS A 45 0.796 7.845 4.849 1.00 0.00 C ATOM 587 O LYS A 45 0.360 7.960 3.704 1.00 0.00 O ATOM 588 CB LYS A 45 1.752 5.729 5.779 1.00 0.00 C ATOM 589 CG LYS A 45 2.900 4.735 5.742 1.00 0.00 C ATOM 590 CD LYS A 45 2.748 3.668 6.813 1.00 0.00 C ATOM 591 CE LYS A 45 4.094 3.083 7.212 1.00 0.00 C ATOM 592 NZ LYS A 45 4.455 1.902 6.380 1.00 0.00 N ATOM 0 H LYS A 45 3.187 7.409 6.872 1.00 0.00 H new ATOM 0 HA LYS A 45 2.585 6.890 4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.466 5.902 6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.888 5.292 5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.942 4.263 4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.844 5.262 5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.262 4.097 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.099 2.873 6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.865 3.847 7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.067 2.792 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.720 1.109 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.640 1.627 5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.257 2.144 5.764 1.00 0.00 H new ATOM 606 N ARG A 46 0.194 8.376 5.909 1.00 0.00 N ATOM 607 CA ARG A 46 -1.041 9.140 5.783 1.00 0.00 C ATOM 608 C ARG A 46 -0.998 10.045 4.555 1.00 0.00 C ATOM 609 O ARG A 46 -1.979 10.157 3.820 1.00 0.00 O ATOM 610 CB ARG A 46 -1.278 9.979 7.040 1.00 0.00 C ATOM 611 CG ARG A 46 -1.793 9.173 8.222 1.00 0.00 C ATOM 612 CD ARG A 46 -2.403 10.073 9.285 1.00 0.00 C ATOM 613 NE ARG A 46 -3.822 10.319 9.045 1.00 0.00 N ATOM 614 CZ ARG A 46 -4.578 11.085 9.824 1.00 0.00 C ATOM 615 NH1 ARG A 46 -4.052 11.676 10.888 1.00 0.00 N ATOM 616 NH2 ARG A 46 -5.862 11.261 9.540 1.00 0.00 N ATOM 0 H ARG A 46 0.542 8.291 6.864 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.864 8.435 5.665 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.345 10.467 7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.993 10.769 6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.539 8.457 7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.975 8.598 8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.275 9.614 10.265 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.869 11.023 9.306 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.257 9.878 8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.065 11.543 11.110 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.634 12.264 11.485 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.270 10.808 8.722 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.441 11.849 10.139 1.00 0.00 H new ATOM 630 N ALA A 47 0.144 10.689 4.341 1.00 0.00 N ATOM 631 CA ALA A 47 0.316 11.583 3.202 1.00 0.00 C ATOM 632 C ALA A 47 0.146 10.833 1.885 1.00 0.00 C ATOM 633 O ALA A 47 1.063 10.156 1.423 1.00 0.00 O ATOM 634 CB ALA A 47 1.680 12.253 3.258 1.00 0.00 C ATOM 0 H ALA A 47 0.965 10.609 4.942 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.456 12.351 3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.794 12.917 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.764 12.830 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.460 11.492 3.234 1.00 0.00 H new ATOM 640 N GLY A 48 -1.034 10.958 1.286 1.00 0.00 N ATOM 641 CA GLY A 48 -1.303 10.286 0.028 1.00 0.00 C ATOM 642 C GLY A 48 -0.974 8.807 0.080 1.00 0.00 C ATOM 643 O GLY A 48 -0.337 8.274 -0.829 1.00 0.00 O ATOM 0 H GLY A 48 -1.809 11.513 1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.354 10.413 -0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.721 10.757 -0.764 1.00 0.00 H new ATOM 647 N TRP A 49 -1.407 8.143 1.145 1.00 0.00 N ATOM 648 CA TRP A 49 -1.153 6.717 1.312 1.00 0.00 C ATOM 649 C TRP A 49 -1.435 5.958 0.020 1.00 0.00 C ATOM 650 O TRP A 49 -2.211 6.414 -0.820 1.00 0.00 O ATOM 651 CB TRP A 49 -2.012 6.154 2.446 1.00 0.00 C ATOM 652 CG TRP A 49 -1.910 4.665 2.585 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.869 3.961 3.118 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.887 3.698 2.183 1.00 0.00 C ATOM 655 NE1 TRP A 49 -1.139 2.614 3.072 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.371 2.427 2.504 1.00 0.00 C ATOM 657 CE3 TRP A 49 -4.147 3.782 1.586 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.072 1.252 2.245 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.842 2.615 1.329 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.304 1.364 1.659 1.00 0.00 C ATOM 0 H TRP A 49 -1.936 8.569 1.906 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.100 6.589 1.564 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.713 6.621 3.385 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.053 6.425 2.272 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.034 4.398 3.517 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.522 1.874 3.407 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.571 4.742 1.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.658 0.287 2.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.816 2.668 0.866 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.873 0.471 1.447 1.00 0.00 H new ATOM 671 N GLN A 50 -0.799 4.801 -0.133 1.00 0.00 N ATOM 672 CA GLN A 50 -0.983 3.981 -1.325 1.00 0.00 C ATOM 673 C GLN A 50 -1.410 2.565 -0.951 1.00 0.00 C ATOM 674 O GLN A 50 -0.745 1.893 -0.162 1.00 0.00 O ATOM 675 CB GLN A 50 0.309 3.937 -2.143 1.00 0.00 C ATOM 676 CG GLN A 50 0.383 5.008 -3.220 1.00 0.00 C ATOM 677 CD GLN A 50 1.173 4.561 -4.434 1.00 0.00 C ATOM 678 OE1 GLN A 50 2.343 4.913 -4.591 1.00 0.00 O ATOM 679 NE2 GLN A 50 0.538 3.780 -5.300 1.00 0.00 N ATOM 0 H GLN A 50 -0.153 4.411 0.553 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.772 4.432 -1.928 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.159 4.050 -1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.400 2.956 -2.610 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.627 5.279 -3.528 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.841 5.905 -2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.432 3.513 -5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.020 3.447 -6.135 1.00 0.00 H new ATOM 688 N CYS A 51 -2.523 2.118 -1.522 1.00 0.00 N ATOM 689 CA CYS A 51 -3.040 0.783 -1.249 1.00 0.00 C ATOM 690 C CYS A 51 -2.167 -0.283 -1.904 1.00 0.00 C ATOM 691 O CYS A 51 -1.440 -0.023 -2.863 1.00 0.00 O ATOM 692 CB CYS A 51 -4.480 0.658 -1.752 1.00 0.00 C ATOM 693 SG CYS A 51 -4.617 0.274 -3.527 1.00 0.00 S ATOM 0 H CYS A 51 -3.085 2.662 -2.177 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.024 0.628 -0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.986 -0.122 -1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.006 1.591 -1.552 1.00 0.00 H new ATOM 698 N PRO A 52 -2.238 -1.514 -1.375 1.00 0.00 N ATOM 699 CA PRO A 52 -1.462 -2.644 -1.892 1.00 0.00 C ATOM 700 C PRO A 52 -1.946 -3.100 -3.265 1.00 0.00 C ATOM 701 O PRO A 52 -1.337 -3.967 -3.891 1.00 0.00 O ATOM 702 CB PRO A 52 -1.696 -3.742 -0.851 1.00 0.00 C ATOM 703 CG PRO A 52 -3.004 -3.398 -0.226 1.00 0.00 C ATOM 704 CD PRO A 52 -3.083 -1.896 -0.231 1.00 0.00 C ATOM 0 HA PRO A 52 -0.412 -2.387 -2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.726 -4.728 -1.315 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.896 -3.762 -0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.831 -3.834 -0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.066 -3.789 0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.108 -1.548 -0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.713 -1.471 0.702 1.00 0.00 H new ATOM 712 N GLU A 53 -3.044 -2.509 -3.726 1.00 0.00 N ATOM 713 CA GLU A 53 -3.609 -2.856 -5.025 1.00 0.00 C ATOM 714 C GLU A 53 -3.134 -1.884 -6.102 1.00 0.00 C ATOM 715 O GLU A 53 -3.213 -2.176 -7.296 1.00 0.00 O ATOM 716 CB GLU A 53 -5.137 -2.855 -4.958 1.00 0.00 C ATOM 717 CG GLU A 53 -5.706 -3.897 -4.011 1.00 0.00 C ATOM 718 CD GLU A 53 -5.999 -5.215 -4.701 1.00 0.00 C ATOM 719 OE1 GLU A 53 -6.754 -5.210 -5.695 1.00 0.00 O ATOM 720 OE2 GLU A 53 -5.471 -6.252 -4.247 1.00 0.00 O ATOM 0 H GLU A 53 -3.559 -1.789 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.265 -3.857 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.478 -1.868 -4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.536 -3.028 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.001 -4.066 -3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.623 -3.514 -3.564 1.00 0.00 H new ATOM 727 N CYS A 54 -2.642 -0.728 -5.671 1.00 0.00 N ATOM 728 CA CYS A 54 -2.156 0.289 -6.596 1.00 0.00 C ATOM 729 C CYS A 54 -0.647 0.471 -6.460 1.00 0.00 C ATOM 730 O CYS A 54 0.038 0.815 -7.423 1.00 0.00 O ATOM 731 CB CYS A 54 -2.866 1.620 -6.342 1.00 0.00 C ATOM 732 SG CYS A 54 -4.609 1.646 -6.871 1.00 0.00 S ATOM 0 H CYS A 54 -2.569 -0.472 -4.686 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.374 -0.044 -7.611 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.817 1.848 -5.277 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.328 2.412 -6.863 1.00 0.00 H new ATOM 737 N LYS A 55 -0.135 0.237 -5.256 1.00 0.00 N ATOM 738 CA LYS A 55 1.293 0.373 -4.992 1.00 0.00 C ATOM 739 C LYS A 55 2.105 -0.535 -5.910 1.00 0.00 C ATOM 740 O LYS A 55 1.661 -1.624 -6.274 1.00 0.00 O ATOM 741 CB LYS A 55 1.596 0.040 -3.529 1.00 0.00 C ATOM 742 CG LYS A 55 3.063 -0.245 -3.262 1.00 0.00 C ATOM 743 CD LYS A 55 3.244 -1.162 -2.064 1.00 0.00 C ATOM 744 CE LYS A 55 2.977 -0.431 -0.757 1.00 0.00 C ATOM 745 NZ LYS A 55 1.522 -0.357 -0.450 1.00 0.00 N ATOM 0 H LYS A 55 -0.688 -0.048 -4.448 1.00 0.00 H new ATOM 0 HA LYS A 55 1.577 1.407 -5.189 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.276 0.872 -2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.006 -0.827 -3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.512 -0.703 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.591 0.693 -3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.569 -2.013 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.259 -1.560 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.494 -0.940 0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.388 0.577 -0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.364 -0.611 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.180 0.611 -0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.004 -1.019 -1.063 1.00 0.00 H new ATOM 759 N VAL A 56 3.298 -0.080 -6.280 1.00 0.00 N ATOM 760 CA VAL A 56 4.173 -0.853 -7.153 1.00 0.00 C ATOM 761 C VAL A 56 5.626 -0.417 -7.001 1.00 0.00 C ATOM 762 O VAL A 56 5.915 0.617 -6.399 1.00 0.00 O ATOM 763 CB VAL A 56 3.758 -0.713 -8.630 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.286 -1.053 -8.806 1.00 0.00 C ATOM 765 CG2 VAL A 56 4.054 0.691 -9.135 1.00 0.00 C ATOM 0 H VAL A 56 3.680 0.820 -5.989 1.00 0.00 H new ATOM 0 HA VAL A 56 4.077 -1.897 -6.854 1.00 0.00 H new ATOM 0 HB VAL A 56 4.342 -1.418 -9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.011 -0.948 -9.856 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.109 -2.080 -8.485 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.681 -0.375 -8.204 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.755 0.772 -10.180 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.498 1.416 -8.541 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.122 0.892 -9.047 1.00 0.00 H new ATOM 775 N CYS A 57 6.537 -1.212 -7.552 1.00 0.00 N ATOM 776 CA CYS A 57 7.961 -0.909 -7.478 1.00 0.00 C ATOM 777 C CYS A 57 8.254 0.473 -8.055 1.00 0.00 C ATOM 778 O CYS A 57 7.524 0.964 -8.916 1.00 0.00 O ATOM 779 CB CYS A 57 8.769 -1.969 -8.230 1.00 0.00 C ATOM 780 SG CYS A 57 10.562 -1.902 -7.911 1.00 0.00 S ATOM 0 H CYS A 57 6.314 -2.071 -8.055 1.00 0.00 H new ATOM 0 HA CYS A 57 8.254 -0.915 -6.428 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.398 -2.956 -7.954 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.596 -1.851 -9.300 1.00 0.00 H new ATOM 785 N GLN A 58 9.326 1.094 -7.574 1.00 0.00 N ATOM 786 CA GLN A 58 9.715 2.420 -8.042 1.00 0.00 C ATOM 787 C GLN A 58 10.966 2.345 -8.910 1.00 0.00 C ATOM 788 O GLN A 58 11.264 3.268 -9.668 1.00 0.00 O ATOM 789 CB GLN A 58 9.959 3.352 -6.854 1.00 0.00 C ATOM 790 CG GLN A 58 8.758 3.489 -5.932 1.00 0.00 C ATOM 791 CD GLN A 58 7.478 3.800 -6.683 1.00 0.00 C ATOM 792 OE1 GLN A 58 7.461 4.641 -7.582 1.00 0.00 O ATOM 793 NE2 GLN A 58 6.397 3.121 -6.317 1.00 0.00 N ATOM 0 H GLN A 58 9.941 0.701 -6.861 1.00 0.00 H new ATOM 0 HA GLN A 58 8.900 2.819 -8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.807 2.980 -6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.235 4.338 -7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.629 2.564 -5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.950 4.279 -5.206 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.457 2.433 -5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.507 3.288 -6.787 1.00 0.00 H new ATOM 802 N ASN A 59 11.697 1.241 -8.793 1.00 0.00 N ATOM 803 CA ASN A 59 12.917 1.046 -9.567 1.00 0.00 C ATOM 804 C ASN A 59 12.599 0.508 -10.959 1.00 0.00 C ATOM 805 O ASN A 59 13.129 0.991 -11.960 1.00 0.00 O ATOM 806 CB ASN A 59 13.860 0.085 -8.840 1.00 0.00 C ATOM 807 CG ASN A 59 14.660 0.774 -7.751 1.00 0.00 C ATOM 808 OD1 ASN A 59 15.680 1.407 -8.021 1.00 0.00 O ATOM 809 ND2 ASN A 59 14.198 0.653 -6.512 1.00 0.00 N ATOM 0 H ASN A 59 11.465 0.468 -8.169 1.00 0.00 H new ATOM 0 HA ASN A 59 13.407 2.014 -9.674 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.280 -0.727 -8.402 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.544 -0.364 -9.561 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.693 1.095 -5.738 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.348 0.118 -6.335 1.00 0.00 H new ATOM 816 N CYS A 60 11.730 -0.495 -11.015 1.00 0.00 N ATOM 817 CA CYS A 60 11.340 -1.101 -12.283 1.00 0.00 C ATOM 818 C CYS A 60 9.914 -0.706 -12.658 1.00 0.00 C ATOM 819 O CYS A 60 9.577 -0.603 -13.837 1.00 0.00 O ATOM 820 CB CYS A 60 11.454 -2.624 -12.201 1.00 0.00 C ATOM 821 SG CYS A 60 10.119 -3.420 -11.251 1.00 0.00 S ATOM 0 H CYS A 60 11.282 -0.906 -10.196 1.00 0.00 H new ATOM 0 HA CYS A 60 12.016 -0.734 -13.056 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.459 -3.032 -13.212 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.411 -2.882 -11.748 1.00 0.00 H new ATOM 826 N LYS A 61 9.082 -0.486 -11.646 1.00 0.00 N ATOM 827 CA LYS A 61 7.693 -0.101 -11.868 1.00 0.00 C ATOM 828 C LYS A 61 6.907 -1.242 -12.505 1.00 0.00 C ATOM 829 O LYS A 61 6.218 -1.049 -13.506 1.00 0.00 O ATOM 830 CB LYS A 61 7.622 1.141 -12.759 1.00 0.00 C ATOM 831 CG LYS A 61 8.449 2.307 -12.245 1.00 0.00 C ATOM 832 CD LYS A 61 7.634 3.207 -11.331 1.00 0.00 C ATOM 833 CE LYS A 61 8.131 4.644 -11.378 1.00 0.00 C ATOM 834 NZ LYS A 61 9.332 4.844 -10.520 1.00 0.00 N ATOM 0 H LYS A 61 9.345 -0.568 -10.664 1.00 0.00 H new ATOM 0 HA LYS A 61 7.247 0.128 -10.900 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.962 0.879 -13.761 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.582 1.455 -12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.317 1.929 -11.705 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.825 2.887 -13.088 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.585 3.174 -11.626 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.689 2.835 -10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.371 4.912 -12.407 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.336 5.314 -11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.855 5.683 -10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.034 4.982 -9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.947 4.007 -10.583 1.00 0.00 H new ATOM 848 N GLN A 62 7.014 -2.429 -11.917 1.00 0.00 N ATOM 849 CA GLN A 62 6.313 -3.601 -12.428 1.00 0.00 C ATOM 850 C GLN A 62 5.663 -4.384 -11.292 1.00 0.00 C ATOM 851 O GLN A 62 6.351 -4.982 -10.464 1.00 0.00 O ATOM 852 CB GLN A 62 7.277 -4.503 -13.199 1.00 0.00 C ATOM 853 CG GLN A 62 7.748 -3.906 -14.515 1.00 0.00 C ATOM 854 CD GLN A 62 8.054 -4.962 -15.559 1.00 0.00 C ATOM 855 OE1 GLN A 62 9.211 -5.174 -15.923 1.00 0.00 O ATOM 856 NE2 GLN A 62 7.016 -5.630 -16.047 1.00 0.00 N ATOM 0 H GLN A 62 7.579 -2.605 -11.086 1.00 0.00 H new ATOM 0 HA GLN A 62 5.529 -3.258 -13.104 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.145 -4.712 -12.573 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.789 -5.457 -13.397 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.982 -3.232 -14.899 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.641 -3.306 -14.338 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.074 -5.421 -15.716 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.160 -6.352 -16.753 1.00 0.00 H new ATOM 865 N SER A 63 4.334 -4.377 -11.258 1.00 0.00 N ATOM 866 CA SER A 63 3.591 -5.084 -10.221 1.00 0.00 C ATOM 867 C SER A 63 3.470 -6.567 -10.555 1.00 0.00 C ATOM 868 O SER A 63 3.041 -6.936 -11.647 1.00 0.00 O ATOM 869 CB SER A 63 2.199 -4.472 -10.055 1.00 0.00 C ATOM 870 OG SER A 63 1.341 -4.861 -11.113 1.00 0.00 O ATOM 0 H SER A 63 3.750 -3.889 -11.937 1.00 0.00 H new ATOM 0 HA SER A 63 4.139 -4.984 -9.284 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.772 -4.785 -9.102 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.277 -3.385 -10.027 1.00 0.00 H new ATOM 0 HG SER A 63 1.773 -5.563 -11.643 1.00 0.00 H new ATOM 876 N GLY A 64 3.853 -7.415 -9.605 1.00 0.00 N ATOM 877 CA GLY A 64 3.781 -8.849 -9.816 1.00 0.00 C ATOM 878 C GLY A 64 4.192 -9.637 -8.589 1.00 0.00 C ATOM 879 O GLY A 64 3.438 -10.481 -8.105 1.00 0.00 O ATOM 0 H GLY A 64 4.212 -7.134 -8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.763 -9.121 -10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.424 -9.123 -10.652 1.00 0.00 H new ATOM 883 N GLU A 65 5.391 -9.363 -8.085 1.00 0.00 N ATOM 884 CA GLU A 65 5.901 -10.055 -6.908 1.00 0.00 C ATOM 885 C GLU A 65 5.616 -9.256 -5.640 1.00 0.00 C ATOM 886 O GLU A 65 6.445 -8.462 -5.194 1.00 0.00 O ATOM 887 CB GLU A 65 7.406 -10.298 -7.043 1.00 0.00 C ATOM 888 CG GLU A 65 7.792 -11.022 -8.322 1.00 0.00 C ATOM 889 CD GLU A 65 7.520 -10.197 -9.565 1.00 0.00 C ATOM 890 OE1 GLU A 65 7.589 -8.953 -9.477 1.00 0.00 O ATOM 891 OE2 GLU A 65 7.238 -10.795 -10.624 1.00 0.00 O ATOM 0 H GLU A 65 6.027 -8.667 -8.474 1.00 0.00 H new ATOM 0 HA GLU A 65 5.390 -11.015 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.925 -9.340 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.750 -10.880 -6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.851 -11.278 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.240 -11.960 -8.385 1.00 0.00 H new ATOM 898 N ASP A 66 4.438 -9.470 -5.064 1.00 0.00 N ATOM 899 CA ASP A 66 4.043 -8.770 -3.847 1.00 0.00 C ATOM 900 C ASP A 66 4.808 -9.304 -2.641 1.00 0.00 C ATOM 901 O ASP A 66 5.431 -8.542 -1.901 1.00 0.00 O ATOM 902 CB ASP A 66 2.538 -8.914 -3.617 1.00 0.00 C ATOM 903 CG ASP A 66 1.719 -8.226 -4.692 1.00 0.00 C ATOM 904 OD1 ASP A 66 1.676 -8.745 -5.827 1.00 0.00 O ATOM 905 OD2 ASP A 66 1.123 -7.168 -4.399 1.00 0.00 O ATOM 0 H ASP A 66 3.740 -10.123 -5.420 1.00 0.00 H new ATOM 0 HA ASP A 66 4.285 -7.714 -3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.278 -9.972 -3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.280 -8.495 -2.644 1.00 0.00 H new ATOM 910 N SER A 67 4.755 -10.618 -2.447 1.00 0.00 N ATOM 911 CA SER A 67 5.439 -11.254 -1.327 1.00 0.00 C ATOM 912 C SER A 67 6.884 -10.775 -1.230 1.00 0.00 C ATOM 913 O SER A 67 7.301 -10.224 -0.211 1.00 0.00 O ATOM 914 CB SER A 67 5.403 -12.776 -1.478 1.00 0.00 C ATOM 915 OG SER A 67 5.634 -13.417 -0.235 1.00 0.00 O ATOM 0 H SER A 67 4.245 -11.263 -3.051 1.00 0.00 H new ATOM 0 HA SER A 67 4.920 -10.975 -0.410 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.435 -13.083 -1.875 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.157 -13.091 -2.199 1.00 0.00 H new ATOM 0 HG SER A 67 5.604 -14.389 -0.358 1.00 0.00 H new ATOM 921 N LYS A 68 7.644 -10.989 -2.299 1.00 0.00 N ATOM 922 CA LYS A 68 9.043 -10.579 -2.337 1.00 0.00 C ATOM 923 C LYS A 68 9.174 -9.072 -2.140 1.00 0.00 C ATOM 924 O LYS A 68 10.058 -8.605 -1.422 1.00 0.00 O ATOM 925 CB LYS A 68 9.679 -10.987 -3.668 1.00 0.00 C ATOM 926 CG LYS A 68 9.841 -12.488 -3.829 1.00 0.00 C ATOM 927 CD LYS A 68 10.898 -12.827 -4.868 1.00 0.00 C ATOM 928 CE LYS A 68 11.116 -14.328 -4.972 1.00 0.00 C ATOM 929 NZ LYS A 68 11.629 -14.904 -3.698 1.00 0.00 N ATOM 0 H LYS A 68 7.315 -11.444 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 68 9.565 -11.081 -1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.067 -10.606 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.657 -10.513 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.116 -12.930 -2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.888 -12.928 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.595 -12.434 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.837 -12.339 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.177 -14.814 -5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.822 -14.538 -5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.002 -15.859 -3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.388 -14.299 -3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.856 -14.957 -3.005 1.00 0.00 H new ATOM 943 N MET A 69 8.288 -8.317 -2.781 1.00 0.00 N ATOM 944 CA MET A 69 8.304 -6.862 -2.674 1.00 0.00 C ATOM 945 C MET A 69 8.408 -6.426 -1.216 1.00 0.00 C ATOM 946 O MET A 69 7.587 -6.811 -0.381 1.00 0.00 O ATOM 947 CB MET A 69 7.044 -6.269 -3.306 1.00 0.00 C ATOM 948 CG MET A 69 6.961 -4.755 -3.193 1.00 0.00 C ATOM 949 SD MET A 69 5.537 -4.070 -4.061 1.00 0.00 S ATOM 950 CE MET A 69 6.342 -3.239 -5.428 1.00 0.00 C ATOM 0 H MET A 69 7.550 -8.688 -3.380 1.00 0.00 H new ATOM 0 HA MET A 69 9.179 -6.493 -3.209 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.010 -6.549 -4.359 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.167 -6.709 -2.830 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.909 -4.476 -2.141 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.873 -4.314 -3.595 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.685 -3.249 -6.298 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.559 -2.208 -5.150 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.272 -3.753 -5.670 1.00 0.00 H new ATOM 960 N LEU A 70 9.422 -5.622 -0.915 1.00 0.00 N ATOM 961 CA LEU A 70 9.634 -5.134 0.444 1.00 0.00 C ATOM 962 C LEU A 70 8.849 -3.849 0.689 1.00 0.00 C ATOM 963 O LEU A 70 9.156 -2.803 0.117 1.00 0.00 O ATOM 964 CB LEU A 70 11.123 -4.891 0.693 1.00 0.00 C ATOM 965 CG LEU A 70 11.958 -6.127 1.028 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.381 -5.966 0.516 1.00 0.00 C ATOM 967 CD2 LEU A 70 11.955 -6.382 2.529 1.00 0.00 C ATOM 0 H LEU A 70 10.110 -5.294 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 70 9.276 -5.895 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.547 -4.420 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.222 -4.177 1.511 1.00 0.00 H new ATOM 0 HG LEU A 70 11.511 -6.989 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.960 -6.856 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.366 -5.833 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.839 -5.094 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.554 -7.266 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.377 -5.520 3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.932 -6.544 2.869 1.00 0.00 H new ATOM 979 N VAL A 71 7.836 -3.934 1.545 1.00 0.00 N ATOM 980 CA VAL A 71 7.010 -2.777 1.869 1.00 0.00 C ATOM 981 C VAL A 71 7.619 -1.968 3.008 1.00 0.00 C ATOM 982 O VAL A 71 7.488 -2.326 4.179 1.00 0.00 O ATOM 983 CB VAL A 71 5.581 -3.200 2.261 1.00 0.00 C ATOM 984 CG1 VAL A 71 4.751 -1.985 2.646 1.00 0.00 C ATOM 985 CG2 VAL A 71 4.923 -3.969 1.126 1.00 0.00 C ATOM 0 H VAL A 71 7.567 -4.792 2.027 1.00 0.00 H new ATOM 0 HA VAL A 71 6.965 -2.159 0.972 1.00 0.00 H new ATOM 0 HB VAL A 71 5.640 -3.858 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.745 -2.303 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.215 -1.481 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.697 -1.299 1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.915 -4.260 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.874 -3.338 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.508 -4.862 0.904 1.00 0.00 H new ATOM 995 N CYS A 72 8.287 -0.874 2.658 1.00 0.00 N ATOM 996 CA CYS A 72 8.917 -0.012 3.650 1.00 0.00 C ATOM 997 C CYS A 72 7.952 0.304 4.788 1.00 0.00 C ATOM 998 O CYS A 72 6.840 0.782 4.559 1.00 0.00 O ATOM 999 CB CYS A 72 9.396 1.287 2.997 1.00 0.00 C ATOM 1000 SG CYS A 72 10.267 2.413 4.134 1.00 0.00 S ATOM 0 H CYS A 72 8.406 -0.563 1.694 1.00 0.00 H new ATOM 0 HA CYS A 72 9.776 -0.542 4.062 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.059 1.041 2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.536 1.807 2.575 1.00 0.00 H new ATOM 1005 N ASP A 73 8.384 0.035 6.015 1.00 0.00 N ATOM 1006 CA ASP A 73 7.559 0.292 7.190 1.00 0.00 C ATOM 1007 C ASP A 73 7.718 1.734 7.661 1.00 0.00 C ATOM 1008 O ASP A 73 7.521 2.040 8.838 1.00 0.00 O ATOM 1009 CB ASP A 73 7.930 -0.670 8.320 1.00 0.00 C ATOM 1010 CG ASP A 73 7.117 -1.950 8.280 1.00 0.00 C ATOM 1011 OD1 ASP A 73 6.928 -2.498 7.174 1.00 0.00 O ATOM 1012 OD2 ASP A 73 6.671 -2.403 9.355 1.00 0.00 O ATOM 0 H ASP A 73 9.301 -0.361 6.222 1.00 0.00 H new ATOM 0 HA ASP A 73 6.517 0.132 6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.990 -0.914 8.252 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.777 -0.176 9.279 1.00 0.00 H new ATOM 1017 N THR A 74 8.078 2.618 6.735 1.00 0.00 N ATOM 1018 CA THR A 74 8.266 4.027 7.056 1.00 0.00 C ATOM 1019 C THR A 74 7.495 4.918 6.089 1.00 0.00 C ATOM 1020 O THR A 74 6.759 5.813 6.507 1.00 0.00 O ATOM 1021 CB THR A 74 9.756 4.418 7.018 1.00 0.00 C ATOM 1022 OG1 THR A 74 10.502 3.592 7.920 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.941 5.881 7.391 1.00 0.00 C ATOM 0 H THR A 74 8.245 2.382 5.757 1.00 0.00 H new ATOM 0 HA THR A 74 7.884 4.175 8.066 1.00 0.00 H new ATOM 0 HB THR A 74 10.123 4.270 6.002 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.531 4.015 8.803 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.001 6.134 7.357 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.396 6.508 6.686 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.559 6.051 8.398 1.00 0.00 H new ATOM 1031 N CYS A 75 7.666 4.668 4.796 1.00 0.00 N ATOM 1032 CA CYS A 75 6.986 5.448 3.769 1.00 0.00 C ATOM 1033 C CYS A 75 5.979 4.587 3.010 1.00 0.00 C ATOM 1034 O CYS A 75 4.979 5.090 2.498 1.00 0.00 O ATOM 1035 CB CYS A 75 8.003 6.042 2.792 1.00 0.00 C ATOM 1036 SG CYS A 75 8.855 4.805 1.761 1.00 0.00 S ATOM 0 H CYS A 75 8.270 3.930 4.434 1.00 0.00 H new ATOM 0 HA CYS A 75 6.448 6.259 4.261 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.493 6.753 2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.747 6.604 3.356 1.00 0.00 H new ATOM 1041 N ASP A 76 6.251 3.289 2.944 1.00 0.00 N ATOM 1042 CA ASP A 76 5.370 2.357 2.250 1.00 0.00 C ATOM 1043 C ASP A 76 5.300 2.682 0.761 1.00 0.00 C ATOM 1044 O ASP A 76 4.217 2.855 0.202 1.00 0.00 O ATOM 1045 CB ASP A 76 3.968 2.399 2.859 1.00 0.00 C ATOM 1046 CG ASP A 76 3.015 1.430 2.186 1.00 0.00 C ATOM 1047 OD1 ASP A 76 3.234 0.206 2.301 1.00 0.00 O ATOM 1048 OD2 ASP A 76 2.051 1.896 1.543 1.00 0.00 O ATOM 0 H ASP A 76 7.075 2.858 3.363 1.00 0.00 H new ATOM 0 HA ASP A 76 5.779 1.353 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.029 2.165 3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.570 3.411 2.778 1.00 0.00 H new ATOM 1053 N LYS A 77 6.463 2.764 0.123 1.00 0.00 N ATOM 1054 CA LYS A 77 6.536 3.067 -1.301 1.00 0.00 C ATOM 1055 C LYS A 77 6.452 1.792 -2.134 1.00 0.00 C ATOM 1056 O LYS A 77 5.548 1.633 -2.953 1.00 0.00 O ATOM 1057 CB LYS A 77 7.835 3.812 -1.619 1.00 0.00 C ATOM 1058 CG LYS A 77 7.780 5.295 -1.298 1.00 0.00 C ATOM 1059 CD LYS A 77 7.225 6.098 -2.463 1.00 0.00 C ATOM 1060 CE LYS A 77 8.330 6.547 -3.406 1.00 0.00 C ATOM 1061 NZ LYS A 77 7.787 7.248 -4.603 1.00 0.00 N ATOM 0 H LYS A 77 7.369 2.625 0.571 1.00 0.00 H new ATOM 0 HA LYS A 77 5.688 3.703 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.651 3.357 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.067 3.686 -2.677 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.159 5.455 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.780 5.652 -1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.501 5.494 -3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.692 6.970 -2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.013 7.210 -2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.910 5.681 -3.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.572 7.538 -5.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.155 6.607 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.255 8.089 -4.301 1.00 0.00 H new ATOM 1075 N GLY A 78 7.400 0.885 -1.918 1.00 0.00 N ATOM 1076 CA GLY A 78 7.413 -0.364 -2.656 1.00 0.00 C ATOM 1077 C GLY A 78 8.712 -0.580 -3.407 1.00 0.00 C ATOM 1078 O GLY A 78 9.022 0.150 -4.348 1.00 0.00 O ATOM 0 H GLY A 78 8.159 0.993 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.254 -1.192 -1.965 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.583 -0.374 -3.362 1.00 0.00 H new ATOM 1082 N TYR A 79 9.474 -1.585 -2.990 1.00 0.00 N ATOM 1083 CA TYR A 79 10.749 -1.893 -3.627 1.00 0.00 C ATOM 1084 C TYR A 79 11.021 -3.394 -3.605 1.00 0.00 C ATOM 1085 O TYR A 79 11.087 -4.009 -2.541 1.00 0.00 O ATOM 1086 CB TYR A 79 11.886 -1.147 -2.927 1.00 0.00 C ATOM 1087 CG TYR A 79 11.624 0.332 -2.753 1.00 0.00 C ATOM 1088 CD1 TYR A 79 11.768 1.214 -3.817 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.230 0.847 -1.524 1.00 0.00 C ATOM 1090 CE1 TYR A 79 11.530 2.565 -3.661 1.00 0.00 C ATOM 1091 CE2 TYR A 79 10.988 2.197 -1.360 1.00 0.00 C ATOM 1092 CZ TYR A 79 11.140 3.052 -2.431 1.00 0.00 C ATOM 1093 OH TYR A 79 10.900 4.398 -2.273 1.00 0.00 O ATOM 0 H TYR A 79 9.231 -2.200 -2.214 1.00 0.00 H new ATOM 0 HA TYR A 79 10.695 -1.567 -4.666 1.00 0.00 H new ATOM 0 HB2 TYR A 79 12.054 -1.595 -1.948 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.803 -1.280 -3.500 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.071 0.836 -4.782 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.111 0.180 -0.683 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.649 3.237 -4.498 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.681 2.581 -0.398 1.00 0.00 H new ATOM 0 HH TYR A 79 10.633 4.576 -1.347 1.00 0.00 H new ATOM 1103 N HIS A 80 11.178 -3.977 -4.789 1.00 0.00 N ATOM 1104 CA HIS A 80 11.445 -5.407 -4.908 1.00 0.00 C ATOM 1105 C HIS A 80 12.749 -5.776 -4.208 1.00 0.00 C ATOM 1106 O HIS A 80 13.448 -4.912 -3.676 1.00 0.00 O ATOM 1107 CB HIS A 80 11.508 -5.815 -6.380 1.00 0.00 C ATOM 1108 CG HIS A 80 10.186 -5.740 -7.080 1.00 0.00 C ATOM 1109 ND1 HIS A 80 10.061 -5.452 -8.423 1.00 0.00 N ATOM 1110 CD2 HIS A 80 8.927 -5.918 -6.616 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.782 -5.456 -8.754 1.00 0.00 C ATOM 1112 NE2 HIS A 80 8.073 -5.736 -7.676 1.00 0.00 N ATOM 0 H HIS A 80 11.125 -3.482 -5.679 1.00 0.00 H new ATOM 0 HA HIS A 80 10.630 -5.945 -4.425 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.220 -5.172 -6.897 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.890 -6.834 -6.450 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.646 -6.158 -5.601 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.384 -5.263 -9.739 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.056 -5.806 -7.637 1.00 0.00 H new ATOM 1120 N THR A 81 13.072 -7.066 -4.211 1.00 0.00 N ATOM 1121 CA THR A 81 14.291 -7.550 -3.576 1.00 0.00 C ATOM 1122 C THR A 81 15.459 -7.550 -4.556 1.00 0.00 C ATOM 1123 O THR A 81 16.620 -7.457 -4.154 1.00 0.00 O ATOM 1124 CB THR A 81 14.106 -8.972 -3.016 1.00 0.00 C ATOM 1125 OG1 THR A 81 13.391 -9.780 -3.957 1.00 0.00 O ATOM 1126 CG2 THR A 81 13.355 -8.940 -1.693 1.00 0.00 C ATOM 0 H THR A 81 12.506 -7.794 -4.646 1.00 0.00 H new ATOM 0 HA THR A 81 14.510 -6.869 -2.753 1.00 0.00 H new ATOM 0 HB THR A 81 15.093 -9.402 -2.845 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.669 -9.546 -4.867 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.237 -9.956 -1.317 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.917 -8.349 -0.970 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.373 -8.492 -1.843 1.00 0.00 H new ATOM 1134 N PHE A 82 15.146 -7.653 -5.843 1.00 0.00 N ATOM 1135 CA PHE A 82 16.170 -7.665 -6.881 1.00 0.00 C ATOM 1136 C PHE A 82 16.168 -6.355 -7.663 1.00 0.00 C ATOM 1137 O PHE A 82 16.618 -6.302 -8.808 1.00 0.00 O ATOM 1138 CB PHE A 82 15.948 -8.842 -7.833 1.00 0.00 C ATOM 1139 CG PHE A 82 14.499 -9.112 -8.124 1.00 0.00 C ATOM 1140 CD1 PHE A 82 13.758 -9.946 -7.303 1.00 0.00 C ATOM 1141 CD2 PHE A 82 13.879 -8.532 -9.219 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.424 -10.196 -7.567 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.546 -8.778 -9.488 1.00 0.00 C ATOM 1144 CZ PHE A 82 11.818 -9.612 -8.662 1.00 0.00 C ATOM 0 H PHE A 82 14.191 -7.729 -6.192 1.00 0.00 H new ATOM 0 HA PHE A 82 17.140 -7.777 -6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.468 -8.644 -8.770 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.397 -9.737 -7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.228 -10.406 -6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.444 -7.880 -9.869 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.857 -10.847 -6.918 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.074 -8.318 -10.344 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.777 -9.807 -8.872 1.00 0.00 H new ATOM 1154 N CYS A 83 15.657 -5.301 -7.037 1.00 0.00 N ATOM 1155 CA CYS A 83 15.593 -3.990 -7.673 1.00 0.00 C ATOM 1156 C CYS A 83 16.373 -2.956 -6.866 1.00 0.00 C ATOM 1157 O CYS A 83 16.706 -1.882 -7.369 1.00 0.00 O ATOM 1158 CB CYS A 83 14.138 -3.544 -7.824 1.00 0.00 C ATOM 1159 SG CYS A 83 13.266 -4.313 -9.227 1.00 0.00 S ATOM 0 H CYS A 83 15.281 -5.329 -6.089 1.00 0.00 H new ATOM 0 HA CYS A 83 16.045 -4.070 -8.661 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.601 -3.777 -6.905 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.112 -2.461 -7.943 1.00 0.00 H new ATOM 1164 N LEU A 84 16.660 -3.286 -5.612 1.00 0.00 N ATOM 1165 CA LEU A 84 17.400 -2.387 -4.734 1.00 0.00 C ATOM 1166 C LEU A 84 18.889 -2.407 -5.064 1.00 0.00 C ATOM 1167 O LEU A 84 19.382 -3.344 -5.691 1.00 0.00 O ATOM 1168 CB LEU A 84 17.186 -2.779 -3.271 1.00 0.00 C ATOM 1169 CG LEU A 84 15.766 -2.604 -2.731 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.550 -3.478 -1.505 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.496 -1.144 -2.401 1.00 0.00 C ATOM 0 H LEU A 84 16.391 -4.170 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 84 17.025 -1.376 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.473 -3.823 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.863 -2.188 -2.654 1.00 0.00 H new ATOM 0 HG LEU A 84 15.064 -2.916 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.534 -3.340 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.700 -4.524 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.261 -3.197 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.481 -1.039 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.205 -0.804 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.608 -0.541 -3.302 1.00 0.00 H new ATOM 1183 N GLN A 85 19.600 -1.368 -4.636 1.00 0.00 N ATOM 1184 CA GLN A 85 21.033 -1.268 -4.886 1.00 0.00 C ATOM 1185 C GLN A 85 21.788 -0.948 -3.600 1.00 0.00 C ATOM 1186 O GLN A 85 21.830 0.195 -3.144 1.00 0.00 O ATOM 1187 CB GLN A 85 21.315 -0.195 -5.938 1.00 0.00 C ATOM 1188 CG GLN A 85 20.541 1.095 -5.714 1.00 0.00 C ATOM 1189 CD GLN A 85 20.929 2.185 -6.693 1.00 0.00 C ATOM 1190 OE1 GLN A 85 20.070 2.835 -7.289 1.00 0.00 O ATOM 1191 NE2 GLN A 85 22.230 2.392 -6.865 1.00 0.00 N ATOM 0 H GLN A 85 19.207 -0.584 -4.115 1.00 0.00 H new ATOM 0 HA GLN A 85 21.380 -2.232 -5.259 1.00 0.00 H new ATOM 0 HB2 GLN A 85 22.382 0.027 -5.941 1.00 0.00 H new ATOM 0 HB3 GLN A 85 21.069 -0.590 -6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 85 19.473 0.894 -5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 85 20.715 1.447 -4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 85 22.908 1.830 -6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 85 22.551 3.113 -7.512 1.00 0.00 H new ATOM 1200 N PRO A 86 22.400 -1.980 -3.000 1.00 0.00 N ATOM 1201 CA PRO A 86 22.356 -3.345 -3.534 1.00 0.00 C ATOM 1202 C PRO A 86 20.971 -3.970 -3.414 1.00 0.00 C ATOM 1203 O PRO A 86 20.029 -3.332 -2.944 1.00 0.00 O ATOM 1204 CB PRO A 86 23.361 -4.100 -2.659 1.00 0.00 C ATOM 1205 CG PRO A 86 23.401 -3.334 -1.382 1.00 0.00 C ATOM 1206 CD PRO A 86 23.181 -1.894 -1.755 1.00 0.00 C ATOM 0 HA PRO A 86 22.589 -3.374 -4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.046 -5.130 -2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.344 -4.139 -3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.630 -3.681 -0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.359 -3.465 -0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.639 -1.356 -0.977 1.00 0.00 H new ATOM 0 HD3 PRO A 86 24.124 -1.370 -1.908 1.00 0.00 H new ATOM 1214 N VAL A 87 20.853 -5.223 -3.842 1.00 0.00 N ATOM 1215 CA VAL A 87 19.582 -5.935 -3.782 1.00 0.00 C ATOM 1216 C VAL A 87 19.450 -6.714 -2.478 1.00 0.00 C ATOM 1217 O VAL A 87 20.446 -7.026 -1.826 1.00 0.00 O ATOM 1218 CB VAL A 87 19.427 -6.908 -4.966 1.00 0.00 C ATOM 1219 CG1 VAL A 87 18.883 -6.181 -6.187 1.00 0.00 C ATOM 1220 CG2 VAL A 87 20.756 -7.578 -5.282 1.00 0.00 C ATOM 0 H VAL A 87 21.622 -5.766 -4.234 1.00 0.00 H new ATOM 0 HA VAL A 87 18.795 -5.183 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 87 18.713 -7.683 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 87 18.780 -6.884 -7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.909 -5.753 -5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 87 19.570 -5.384 -6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 87 20.628 -8.262 -6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 87 21.494 -6.819 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 87 21.100 -8.134 -4.410 1.00 0.00 H new ATOM 1230 N MET A 88 18.214 -7.026 -2.104 1.00 0.00 N ATOM 1231 CA MET A 88 17.951 -7.771 -0.878 1.00 0.00 C ATOM 1232 C MET A 88 17.638 -9.232 -1.186 1.00 0.00 C ATOM 1233 O MET A 88 16.476 -9.640 -1.192 1.00 0.00 O ATOM 1234 CB MET A 88 16.789 -7.138 -0.110 1.00 0.00 C ATOM 1235 CG MET A 88 17.178 -5.884 0.655 1.00 0.00 C ATOM 1236 SD MET A 88 17.732 -6.237 2.334 1.00 0.00 S ATOM 1237 CE MET A 88 16.203 -6.038 3.244 1.00 0.00 C ATOM 0 H MET A 88 17.378 -6.775 -2.632 1.00 0.00 H new ATOM 0 HA MET A 88 18.848 -7.733 -0.260 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.991 -6.893 -0.811 1.00 0.00 H new ATOM 0 HB3 MET A 88 16.385 -7.870 0.590 1.00 0.00 H new ATOM 0 HG2 MET A 88 17.972 -5.366 0.116 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.324 -5.207 0.693 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.427 -5.800 4.284 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.620 -5.229 2.804 1.00 0.00 H new ATOM 0 HE3 MET A 88 15.630 -6.964 3.199 1.00 0.00 H new ATOM 1247 N LYS A 89 18.680 -10.015 -1.441 1.00 0.00 N ATOM 1248 CA LYS A 89 18.516 -11.431 -1.748 1.00 0.00 C ATOM 1249 C LYS A 89 17.327 -12.018 -0.995 1.00 0.00 C ATOM 1250 O LYS A 89 16.566 -12.816 -1.542 1.00 0.00 O ATOM 1251 CB LYS A 89 19.790 -12.202 -1.393 1.00 0.00 C ATOM 1252 CG LYS A 89 21.038 -11.658 -2.066 1.00 0.00 C ATOM 1253 CD LYS A 89 20.903 -11.667 -3.580 1.00 0.00 C ATOM 1254 CE LYS A 89 22.167 -11.155 -4.255 1.00 0.00 C ATOM 1255 NZ LYS A 89 22.653 -9.891 -3.636 1.00 0.00 N ATOM 0 H LYS A 89 19.648 -9.693 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 89 18.328 -11.525 -2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 89 19.930 -12.177 -0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 89 19.662 -13.247 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 89 21.224 -10.640 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 89 21.901 -12.256 -1.773 1.00 0.00 H new ATOM 0 HD2 LYS A 89 20.692 -12.680 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 89 20.056 -11.048 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 89 22.946 -11.914 -4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 89 21.971 -10.989 -5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 23.021 -9.261 -4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.867 -9.422 -3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 23.411 -10.106 -2.957 1.00 0.00 H new ATOM 1269 N SER A 90 17.173 -11.616 0.263 1.00 0.00 N ATOM 1270 CA SER A 90 16.077 -12.104 1.092 1.00 0.00 C ATOM 1271 C SER A 90 15.474 -10.972 1.918 1.00 0.00 C ATOM 1272 O SER A 90 15.921 -9.827 1.842 1.00 0.00 O ATOM 1273 CB SER A 90 16.568 -13.220 2.018 1.00 0.00 C ATOM 1274 OG SER A 90 16.796 -14.418 1.296 1.00 0.00 O ATOM 0 H SER A 90 17.793 -10.954 0.730 1.00 0.00 H new ATOM 0 HA SER A 90 15.305 -12.501 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 90 17.488 -12.909 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 90 15.831 -13.398 2.801 1.00 0.00 H new ATOM 0 HG SER A 90 17.111 -15.115 1.909 1.00 0.00 H new ATOM 1280 N VAL A 91 14.456 -11.300 2.706 1.00 0.00 N ATOM 1281 CA VAL A 91 13.791 -10.312 3.548 1.00 0.00 C ATOM 1282 C VAL A 91 14.038 -10.593 5.025 1.00 0.00 C ATOM 1283 O VAL A 91 13.710 -11.661 5.543 1.00 0.00 O ATOM 1284 CB VAL A 91 12.273 -10.284 3.288 1.00 0.00 C ATOM 1285 CG1 VAL A 91 11.613 -9.176 4.095 1.00 0.00 C ATOM 1286 CG2 VAL A 91 11.990 -10.115 1.803 1.00 0.00 C ATOM 0 H VAL A 91 14.073 -12.243 2.779 1.00 0.00 H new ATOM 0 HA VAL A 91 14.214 -9.341 3.291 1.00 0.00 H new ATOM 0 HB VAL A 91 11.849 -11.236 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.541 -9.172 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.786 -9.347 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.038 -8.214 3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.913 -10.097 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.426 -9.179 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.428 -10.947 1.252 1.00 0.00 H new ATOM 1296 N PRO A 92 14.630 -9.612 5.723 1.00 0.00 N ATOM 1297 CA PRO A 92 14.934 -9.730 7.153 1.00 0.00 C ATOM 1298 C PRO A 92 13.676 -9.718 8.015 1.00 0.00 C ATOM 1299 O PRO A 92 13.747 -9.854 9.237 1.00 0.00 O ATOM 1300 CB PRO A 92 15.789 -8.493 7.437 1.00 0.00 C ATOM 1301 CG PRO A 92 15.387 -7.507 6.394 1.00 0.00 C ATOM 1302 CD PRO A 92 15.049 -8.313 5.171 1.00 0.00 C ATOM 0 HA PRO A 92 15.431 -10.671 7.388 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.605 -8.106 8.439 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.852 -8.724 7.375 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.530 -6.919 6.723 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.195 -6.805 6.188 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.253 -7.847 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.908 -8.416 4.508 1.00 0.00 H new ATOM 1310 N THR A 93 12.524 -9.554 7.372 1.00 0.00 N ATOM 1311 CA THR A 93 11.251 -9.524 8.080 1.00 0.00 C ATOM 1312 C THR A 93 11.404 -8.892 9.459 1.00 0.00 C ATOM 1313 O THR A 93 10.746 -9.300 10.415 1.00 0.00 O ATOM 1314 CB THR A 93 10.662 -10.938 8.239 1.00 0.00 C ATOM 1315 OG1 THR A 93 11.548 -11.754 9.014 1.00 0.00 O ATOM 1316 CG2 THR A 93 10.430 -11.583 6.881 1.00 0.00 C ATOM 0 H THR A 93 12.447 -9.440 6.361 1.00 0.00 H new ATOM 0 HA THR A 93 10.570 -8.921 7.480 1.00 0.00 H new ATOM 0 HB THR A 93 9.704 -10.853 8.752 1.00 0.00 H new ATOM 0 HG1 THR A 93 11.165 -12.651 9.112 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.014 -12.581 7.019 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.733 -10.975 6.304 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.377 -11.655 6.346 1.00 0.00 H new ATOM 1324 N ASN A 94 12.276 -7.893 9.554 1.00 0.00 N ATOM 1325 CA ASN A 94 12.514 -7.204 10.817 1.00 0.00 C ATOM 1326 C ASN A 94 12.360 -5.695 10.651 1.00 0.00 C ATOM 1327 O ASN A 94 13.187 -4.920 11.129 1.00 0.00 O ATOM 1328 CB ASN A 94 13.914 -7.530 11.343 1.00 0.00 C ATOM 1329 CG ASN A 94 13.929 -8.772 12.213 1.00 0.00 C ATOM 1330 OD1 ASN A 94 13.734 -8.586 13.513 1.00 0.00 O flip ATOM 1331 ND2 ASN A 94 14.113 -9.886 11.721 1.00 0.00 N flip ATOM 0 H ASN A 94 12.829 -7.543 8.772 1.00 0.00 H new ATOM 0 HA ASN A 94 11.772 -7.550 11.537 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.592 -7.671 10.501 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.290 -6.683 11.917 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.259 -9.982 10.716 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.120 -10.713 12.319 1.00 0.00 H new ATOM 1338 N GLY A 95 11.294 -5.286 9.970 1.00 0.00 N ATOM 1339 CA GLY A 95 11.050 -3.872 9.754 1.00 0.00 C ATOM 1340 C GLY A 95 12.097 -3.233 8.863 1.00 0.00 C ATOM 1341 O GLY A 95 12.908 -2.430 9.324 1.00 0.00 O ATOM 0 H GLY A 95 10.595 -5.908 9.564 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.066 -3.741 9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.033 -3.358 10.715 1.00 0.00 H new ATOM 1345 N TRP A 96 12.080 -3.590 7.584 1.00 0.00 N ATOM 1346 CA TRP A 96 13.037 -3.047 6.626 1.00 0.00 C ATOM 1347 C TRP A 96 12.754 -1.574 6.350 1.00 0.00 C ATOM 1348 O TRP A 96 11.610 -1.125 6.432 1.00 0.00 O ATOM 1349 CB TRP A 96 12.989 -3.842 5.320 1.00 0.00 C ATOM 1350 CG TRP A 96 13.885 -3.287 4.254 1.00 0.00 C ATOM 1351 CD1 TRP A 96 15.246 -3.384 4.195 1.00 0.00 C ATOM 1352 CD2 TRP A 96 13.483 -2.548 3.096 1.00 0.00 C ATOM 1353 NE1 TRP A 96 15.714 -2.749 3.070 1.00 0.00 N ATOM 1354 CE2 TRP A 96 14.652 -2.229 2.378 1.00 0.00 C ATOM 1355 CE3 TRP A 96 12.249 -2.126 2.594 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 14.621 -1.507 1.188 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 12.220 -1.410 1.413 1.00 0.00 C ATOM 1358 CH2 TRP A 96 13.399 -1.107 0.720 1.00 0.00 C ATOM 0 H TRP A 96 11.415 -4.253 7.186 1.00 0.00 H new ATOM 0 HA TRP A 96 14.034 -3.131 7.058 1.00 0.00 H new ATOM 0 HB2 TRP A 96 13.272 -4.875 5.521 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.964 -3.859 4.951 1.00 0.00 H new ATOM 0 HD1 TRP A 96 15.864 -3.886 4.925 1.00 0.00 H new ATOM 0 HE1 TRP A 96 16.693 -2.676 2.795 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.334 -2.356 3.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.529 -1.271 0.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 11.272 -1.078 1.017 1.00 0.00 H new ATOM 0 HH2 TRP A 96 13.342 -0.547 -0.202 1.00 0.00 H new ATOM 1369 N LYS A 97 13.802 -0.826 6.022 1.00 0.00 N ATOM 1370 CA LYS A 97 13.666 0.596 5.732 1.00 0.00 C ATOM 1371 C LYS A 97 14.334 0.947 4.406 1.00 0.00 C ATOM 1372 O LYS A 97 15.495 0.606 4.174 1.00 0.00 O ATOM 1373 CB LYS A 97 14.280 1.428 6.860 1.00 0.00 C ATOM 1374 CG LYS A 97 13.781 2.862 6.899 1.00 0.00 C ATOM 1375 CD LYS A 97 14.483 3.669 7.978 1.00 0.00 C ATOM 1376 CE LYS A 97 13.744 3.587 9.305 1.00 0.00 C ATOM 1377 NZ LYS A 97 14.323 4.509 10.320 1.00 0.00 N ATOM 0 H LYS A 97 14.755 -1.181 5.950 1.00 0.00 H new ATOM 0 HA LYS A 97 12.603 0.826 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.060 0.949 7.814 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.364 1.432 6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.944 3.331 5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.706 2.869 7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.501 3.301 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.557 4.711 7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.693 3.831 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.783 2.564 9.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.792 4.423 11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.319 4.261 10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.263 5.488 9.974 1.00 0.00 H new ATOM 1391 N CYS A 98 13.595 1.631 3.539 1.00 0.00 N ATOM 1392 CA CYS A 98 14.116 2.030 2.237 1.00 0.00 C ATOM 1393 C CYS A 98 15.139 3.153 2.381 1.00 0.00 C ATOM 1394 O CYS A 98 14.999 4.030 3.233 1.00 0.00 O ATOM 1395 CB CYS A 98 12.974 2.479 1.324 1.00 0.00 C ATOM 1396 SG CYS A 98 12.483 4.219 1.549 1.00 0.00 S ATOM 0 H CYS A 98 12.633 1.921 3.715 1.00 0.00 H new ATOM 0 HA CYS A 98 14.611 1.167 1.791 1.00 0.00 H new ATOM 0 HB2 CYS A 98 13.272 2.328 0.286 1.00 0.00 H new ATOM 0 HB3 CYS A 98 12.108 1.842 1.503 1.00 0.00 H new ATOM 1401 N LYS A 99 16.168 3.120 1.540 1.00 0.00 N ATOM 1402 CA LYS A 99 17.214 4.134 1.571 1.00 0.00 C ATOM 1403 C LYS A 99 16.620 5.522 1.789 1.00 0.00 C ATOM 1404 O LYS A 99 16.915 6.184 2.783 1.00 0.00 O ATOM 1405 CB LYS A 99 18.015 4.110 0.267 1.00 0.00 C ATOM 1406 CG LYS A 99 19.001 5.258 0.137 1.00 0.00 C ATOM 1407 CD LYS A 99 18.334 6.506 -0.415 1.00 0.00 C ATOM 1408 CE LYS A 99 19.354 7.472 -0.998 1.00 0.00 C ATOM 1409 NZ LYS A 99 19.669 7.156 -2.419 1.00 0.00 N ATOM 0 H LYS A 99 16.299 2.401 0.828 1.00 0.00 H new ATOM 0 HA LYS A 99 17.880 3.908 2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.558 3.167 0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.323 4.139 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.436 5.478 1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 99 19.821 4.962 -0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.616 6.225 -1.185 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.774 7.002 0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 99 18.971 8.490 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.269 7.435 -0.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.368 7.837 -2.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.059 6.194 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.801 7.216 -2.989 1.00 0.00 H new ATOM 1423 N ASN A 100 15.781 5.956 0.854 1.00 0.00 N ATOM 1424 CA ASN A 100 15.145 7.265 0.945 1.00 0.00 C ATOM 1425 C ASN A 100 14.801 7.603 2.392 1.00 0.00 C ATOM 1426 O ASN A 100 14.941 8.747 2.824 1.00 0.00 O ATOM 1427 CB ASN A 100 13.879 7.301 0.086 1.00 0.00 C ATOM 1428 CG ASN A 100 13.570 8.693 -0.430 1.00 0.00 C ATOM 1429 OD1 ASN A 100 12.928 9.492 0.251 1.00 0.00 O ATOM 1430 ND2 ASN A 100 14.028 8.990 -1.641 1.00 0.00 N ATOM 0 H ASN A 100 15.526 5.420 0.025 1.00 0.00 H new ATOM 0 HA ASN A 100 15.849 8.010 0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.996 6.621 -0.758 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.035 6.938 0.672 1.00 0.00 H new ATOM 0 HD21 ASN A 100 13.852 9.912 -2.041 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.556 8.297 -2.171 1.00 0.00 H new ATOM 1437 N CYS A 101 14.351 6.599 3.137 1.00 0.00 N ATOM 1438 CA CYS A 101 13.986 6.788 4.536 1.00 0.00 C ATOM 1439 C CYS A 101 15.223 6.759 5.429 1.00 0.00 C ATOM 1440 O CYS A 101 15.419 7.642 6.265 1.00 0.00 O ATOM 1441 CB CYS A 101 12.999 5.706 4.979 1.00 0.00 C ATOM 1442 SG CYS A 101 11.275 6.027 4.487 1.00 0.00 S ATOM 0 H CYS A 101 14.230 5.646 2.795 1.00 0.00 H new ATOM 0 HA CYS A 101 13.511 7.764 4.633 1.00 0.00 H new ATOM 0 HB2 CYS A 101 13.313 4.750 4.561 1.00 0.00 H new ATOM 0 HB3 CYS A 101 13.044 5.610 6.064 1.00 0.00 H new ATOM 1447 N ARG A 102 16.055 5.739 5.246 1.00 0.00 N ATOM 1448 CA ARG A 102 17.272 5.594 6.035 1.00 0.00 C ATOM 1449 C ARG A 102 18.026 6.918 6.119 1.00 0.00 C ATOM 1450 O ARG A 102 18.646 7.227 7.138 1.00 0.00 O ATOM 1451 CB ARG A 102 18.174 4.518 5.428 1.00 0.00 C ATOM 1452 CG ARG A 102 17.446 3.225 5.102 1.00 0.00 C ATOM 1453 CD ARG A 102 18.419 2.078 4.879 1.00 0.00 C ATOM 1454 NE ARG A 102 18.855 1.477 6.137 1.00 0.00 N ATOM 1455 CZ ARG A 102 19.942 1.860 6.797 1.00 0.00 C ATOM 1456 NH1 ARG A 102 20.700 2.838 6.321 1.00 0.00 N ATOM 1457 NH2 ARG A 102 20.273 1.265 7.936 1.00 0.00 N ATOM 0 H ARG A 102 15.908 5.001 4.558 1.00 0.00 H new ATOM 0 HA ARG A 102 16.988 5.293 7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.629 4.908 4.517 1.00 0.00 H new ATOM 0 HB3 ARG A 102 18.986 4.303 6.123 1.00 0.00 H new ATOM 0 HG2 ARG A 102 16.766 2.974 5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 102 16.836 3.365 4.209 1.00 0.00 H new ATOM 0 HD2 ARG A 102 17.946 1.317 4.259 1.00 0.00 H new ATOM 0 HD3 ARG A 102 19.288 2.441 4.331 1.00 0.00 H new ATOM 0 HE ARG A 102 18.294 0.722 6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.449 3.298 5.446 1.00 0.00 H new ATOM 0 HH12 ARG A 102 21.534 3.130 6.830 1.00 0.00 H new ATOM 0 HH21 ARG A 102 19.692 0.512 8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 102 21.108 1.560 8.442 1.00 0.00 H new ATOM 1471 N ILE A 103 17.969 7.694 5.043 1.00 0.00 N ATOM 1472 CA ILE A 103 18.646 8.984 4.995 1.00 0.00 C ATOM 1473 C ILE A 103 18.682 9.637 6.373 1.00 0.00 C ATOM 1474 O ILE A 103 17.641 9.880 6.984 1.00 0.00 O ATOM 1475 CB ILE A 103 17.962 9.943 4.003 1.00 0.00 C ATOM 1476 CG1 ILE A 103 17.997 9.360 2.589 1.00 0.00 C ATOM 1477 CG2 ILE A 103 18.633 11.308 4.037 1.00 0.00 C ATOM 1478 CD1 ILE A 103 19.388 8.987 2.125 1.00 0.00 C ATOM 0 H ILE A 103 17.461 7.452 4.192 1.00 0.00 H new ATOM 0 HA ILE A 103 19.665 8.793 4.659 1.00 0.00 H new ATOM 0 HB ILE A 103 16.920 10.065 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 103 17.361 8.475 2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 103 17.573 10.085 1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 103 18.138 11.974 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 103 18.559 11.725 5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 103 19.683 11.204 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 103 19.338 8.580 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 103 20.023 9.873 2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 103 19.807 8.238 2.797 1.00 0.00 H new ATOM 1490 N CYS A 104 19.887 9.920 6.856 1.00 0.00 N ATOM 1491 CA CYS A 104 20.060 10.546 8.162 1.00 0.00 C ATOM 1492 C CYS A 104 20.155 12.062 8.030 1.00 0.00 C ATOM 1493 O CYS A 104 20.456 12.584 6.955 1.00 0.00 O ATOM 1494 CB CYS A 104 21.313 10.002 8.850 1.00 0.00 C ATOM 1495 SG CYS A 104 21.228 10.017 10.656 1.00 0.00 S ATOM 0 H CYS A 104 20.758 9.726 6.363 1.00 0.00 H new ATOM 0 HA CYS A 104 19.188 10.307 8.770 1.00 0.00 H new ATOM 0 HB2 CYS A 104 21.485 8.980 8.513 1.00 0.00 H new ATOM 0 HB3 CYS A 104 22.174 10.591 8.532 1.00 0.00 H new ATOM 0 HG CYS A 104 22.332 9.537 11.146 1.00 0.00 H new ATOM 1501 N ILE A 105 19.896 12.764 9.127 1.00 0.00 N ATOM 1502 CA ILE A 105 19.952 14.221 9.133 1.00 0.00 C ATOM 1503 C ILE A 105 21.279 14.717 9.696 1.00 0.00 C ATOM 1504 O ILE A 105 21.501 14.690 10.907 1.00 0.00 O ATOM 1505 CB ILE A 105 18.800 14.826 9.957 1.00 0.00 C ATOM 1506 CG1 ILE A 105 17.450 14.383 9.388 1.00 0.00 C ATOM 1507 CG2 ILE A 105 18.901 16.343 9.974 1.00 0.00 C ATOM 1508 CD1 ILE A 105 17.235 14.798 7.949 1.00 0.00 C ATOM 0 H ILE A 105 19.645 12.348 10.024 1.00 0.00 H new ATOM 0 HA ILE A 105 19.855 14.545 8.097 1.00 0.00 H new ATOM 0 HB ILE A 105 18.877 14.465 10.982 1.00 0.00 H new ATOM 0 HG12 ILE A 105 17.373 13.298 9.460 1.00 0.00 H new ATOM 0 HG13 ILE A 105 16.652 14.801 10.001 1.00 0.00 H new ATOM 0 HG21 ILE A 105 18.080 16.756 10.560 1.00 0.00 H new ATOM 0 HG22 ILE A 105 19.850 16.639 10.420 1.00 0.00 H new ATOM 0 HG23 ILE A 105 18.845 16.723 8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 105 16.258 14.451 7.612 1.00 0.00 H new ATOM 0 HD12 ILE A 105 17.280 15.884 7.873 1.00 0.00 H new ATOM 0 HD13 ILE A 105 18.012 14.358 7.324 1.00 0.00 H new ATOM 1520 N SER A 106 22.159 15.173 8.810 1.00 0.00 N ATOM 1521 CA SER A 106 23.466 15.675 9.218 1.00 0.00 C ATOM 1522 C SER A 106 23.493 17.200 9.197 1.00 0.00 C ATOM 1523 O SER A 106 23.951 17.810 8.232 1.00 0.00 O ATOM 1524 CB SER A 106 24.557 15.121 8.300 1.00 0.00 C ATOM 1525 OG SER A 106 25.838 15.257 8.891 1.00 0.00 O ATOM 0 H SER A 106 21.990 15.205 7.805 1.00 0.00 H new ATOM 0 HA SER A 106 23.655 15.340 10.238 1.00 0.00 H new ATOM 0 HB2 SER A 106 24.360 14.070 8.089 1.00 0.00 H new ATOM 0 HB3 SER A 106 24.536 15.647 7.346 1.00 0.00 H new ATOM 0 HG SER A 106 26.518 14.894 8.285 1.00 0.00 H new ATOM 1531 N GLY A 107 22.998 17.810 10.270 1.00 0.00 N ATOM 1532 CA GLY A 107 22.974 19.258 10.355 1.00 0.00 C ATOM 1533 C GLY A 107 23.880 19.789 11.448 1.00 0.00 C ATOM 1534 O GLY A 107 24.645 19.047 12.066 1.00 0.00 O ATOM 0 H GLY A 107 22.613 17.327 11.082 1.00 0.00 H new ATOM 0 HA2 GLY A 107 23.279 19.680 9.397 1.00 0.00 H new ATOM 0 HA3 GLY A 107 21.953 19.591 10.540 1.00 0.00 H new ATOM 1538 N PRO A 108 23.803 21.105 11.699 1.00 0.00 N ATOM 1539 CA PRO A 108 24.617 21.764 12.724 1.00 0.00 C ATOM 1540 C PRO A 108 24.199 21.370 14.137 1.00 0.00 C ATOM 1541 O PRO A 108 23.088 21.671 14.573 1.00 0.00 O ATOM 1542 CB PRO A 108 24.352 23.253 12.484 1.00 0.00 C ATOM 1543 CG PRO A 108 23.014 23.299 11.831 1.00 0.00 C ATOM 1544 CD PRO A 108 22.915 22.049 11.001 1.00 0.00 C ATOM 0 HA PRO A 108 25.669 21.487 12.650 1.00 0.00 H new ATOM 0 HB2 PRO A 108 24.355 23.812 13.420 1.00 0.00 H new ATOM 0 HB3 PRO A 108 25.119 23.694 11.847 1.00 0.00 H new ATOM 0 HG2 PRO A 108 22.218 23.338 12.575 1.00 0.00 H new ATOM 0 HG3 PRO A 108 22.913 24.189 11.210 1.00 0.00 H new ATOM 0 HD2 PRO A 108 21.891 21.678 10.954 1.00 0.00 H new ATOM 0 HD3 PRO A 108 23.239 22.221 9.975 1.00 0.00 H new ATOM 1552 N SER A 109 25.097 20.696 14.848 1.00 0.00 N ATOM 1553 CA SER A 109 24.820 20.258 16.212 1.00 0.00 C ATOM 1554 C SER A 109 25.645 21.056 17.217 1.00 0.00 C ATOM 1555 O SER A 109 26.872 21.111 17.126 1.00 0.00 O ATOM 1556 CB SER A 109 25.119 18.765 16.361 1.00 0.00 C ATOM 1557 OG SER A 109 24.175 17.983 15.650 1.00 0.00 O ATOM 0 H SER A 109 26.022 20.441 14.503 1.00 0.00 H new ATOM 0 HA SER A 109 23.763 20.432 16.416 1.00 0.00 H new ATOM 0 HB2 SER A 109 26.123 18.553 15.992 1.00 0.00 H new ATOM 0 HB3 SER A 109 25.102 18.491 17.416 1.00 0.00 H new ATOM 0 HG SER A 109 24.389 17.033 15.759 1.00 0.00 H new ATOM 1563 N SER A 110 24.962 21.674 18.175 1.00 0.00 N ATOM 1564 CA SER A 110 25.630 22.473 19.196 1.00 0.00 C ATOM 1565 C SER A 110 26.837 21.732 19.762 1.00 0.00 C ATOM 1566 O SER A 110 27.040 20.550 19.487 1.00 0.00 O ATOM 1567 CB SER A 110 24.655 22.818 20.323 1.00 0.00 C ATOM 1568 OG SER A 110 24.351 21.674 21.102 1.00 0.00 O ATOM 0 H SER A 110 23.947 21.637 18.266 1.00 0.00 H new ATOM 0 HA SER A 110 25.977 23.395 18.730 1.00 0.00 H new ATOM 0 HB2 SER A 110 25.088 23.590 20.959 1.00 0.00 H new ATOM 0 HB3 SER A 110 23.738 23.229 19.901 1.00 0.00 H new ATOM 0 HG SER A 110 23.728 21.921 21.817 1.00 0.00 H new ATOM 1574 N GLY A 111 27.638 22.437 20.556 1.00 0.00 N ATOM 1575 CA GLY A 111 28.816 21.830 21.149 1.00 0.00 C ATOM 1576 C GLY A 111 28.496 20.549 21.894 1.00 0.00 C ATOM 1577 O GLY A 111 28.783 19.470 21.378 1.00 0.00 O ATOM 0 H GLY A 111 27.492 23.417 20.799 1.00 0.00 H new ATOM 0 HA2 GLY A 111 29.545 21.619 20.367 1.00 0.00 H new ATOM 0 HA3 GLY A 111 29.280 22.539 21.835 1.00 0.00 H new TER 1581 GLY A 111 HETATM 1582 ZN ZN A 301 -11.119 -3.166 7.420 1.00 0.00 ZN HETATM 1583 ZN ZN A 501 -5.415 2.015 -4.658 1.00 0.00 ZN HETATM 1584 ZN ZN A 701 11.091 -3.816 -9.137 1.00 0.00 ZN HETATM 1585 ZN ZN A 901 10.772 4.285 3.001 1.00 0.00 ZN