USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 589 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 90 GLN : amide:sc= 0 X(o=1.3,f=1.2) USER MOD Set 1.2: A 94 SER OG : rot 85:sc= 1.27 USER MOD Single : A 61 SER OG : rot -44:sc= 0.725 USER MOD Single : A 62 ASN : amide:sc=-0.00757 K(o=-0.0076,f=-1.7) USER MOD Single : A 65 GLN : amide:sc= -0.647 K(o=-0.65,f=-1.7!) USER MOD Single : A 68 CYS SG : rot 160:sc= -0.0872 USER MOD Single : A 82 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.1!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 166:sc=-0.00503 (180deg=-0.0634) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.174 (180deg=-0.4) USER MOD Single : A 92 SER OG : rot 180:sc= -0.312 USER MOD Single : A 95 GLN : amide:sc= -0.275 K(o=-0.27,f=-3!) USER MOD Single : A 96 LYS NZ :NH3+ -116:sc= -0.794 (180deg=-1.35) USER MOD Single : A 97 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.228) USER MOD Single : A 99 LYS NZ :NH3+ -155:sc= -0.141 (180deg=-0.57) USER MOD Single : A 104 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0592) USER MOD Single : A 105 SER OG : rot -113:sc= 0.988 USER MOD Single : A 108 HIS : no HE2:sc= -0.135 K(o=-0.13,f=-7!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HE2:sc= -0.544 K(o=-0.54,f=-2!) USER MOD Single : A 116 LYS NZ :NH3+ 155:sc= -0.63 (180deg=-1.14) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 121 SER OG : rot -108:sc= 1.19 USER MOD Single : A 124 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.3) USER MOD Single : A 127 LYS NZ :NH3+ 167:sc= -0.0383 (180deg=-0.259) USER MOD Single : A 129 LYS NZ :NH3+ 169:sc= -0.847 (180deg=-1.14) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -18.623 1.759 10.755 1.00 0.00 N ATOM 2 CA SER A 61 -18.259 0.917 11.921 1.00 0.00 C ATOM 3 C SER A 61 -17.352 -0.247 11.522 1.00 0.00 C ATOM 4 O SER A 61 -17.212 -1.214 12.271 1.00 0.00 O ATOM 5 CB SER A 61 -19.515 0.376 12.602 1.00 0.00 C ATOM 6 OG SER A 61 -19.192 -0.236 13.838 1.00 0.00 O ATOM 0 HA SER A 61 -17.710 1.551 12.617 1.00 0.00 H new ATOM 0 HB2 SER A 61 -20.223 1.188 12.767 1.00 0.00 H new ATOM 0 HB3 SER A 61 -20.005 -0.347 11.950 1.00 0.00 H new ATOM 0 HG SER A 61 -18.392 -0.792 13.729 1.00 0.00 H new ATOM 14 N ASN A 62 -16.741 -0.161 10.345 1.00 0.00 N ATOM 15 CA ASN A 62 -15.836 -1.210 9.892 1.00 0.00 C ATOM 16 C ASN A 62 -14.405 -0.688 9.861 1.00 0.00 C ATOM 17 O ASN A 62 -14.140 0.400 9.352 1.00 0.00 O ATOM 18 CB ASN A 62 -16.240 -1.726 8.509 1.00 0.00 C ATOM 19 CG ASN A 62 -15.986 -3.216 8.350 1.00 0.00 C ATOM 20 OD1 ASN A 62 -15.103 -3.782 8.995 1.00 0.00 O ATOM 21 ND2 ASN A 62 -16.767 -3.860 7.489 1.00 0.00 N ATOM 0 H ASN A 62 -16.854 0.616 9.694 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.898 -2.041 10.595 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.297 -1.521 8.342 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.685 -1.182 7.745 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.647 -4.862 7.342 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.487 -3.352 6.975 1.00 0.00 H new ATOM 28 N ALA A 63 -13.493 -1.459 10.435 1.00 0.00 N ATOM 29 CA ALA A 63 -12.083 -1.081 10.472 1.00 0.00 C ATOM 30 C ALA A 63 -11.169 -2.282 10.228 1.00 0.00 C ATOM 31 O ALA A 63 -10.080 -2.135 9.673 1.00 0.00 O ATOM 32 CB ALA A 63 -11.746 -0.420 11.799 1.00 0.00 C ATOM 0 H ALA A 63 -13.702 -2.351 10.883 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.912 -0.367 9.666 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.692 -0.144 11.811 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.356 0.474 11.925 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.948 -1.115 12.614 1.00 0.00 H new ATOM 38 N GLY A 64 -11.606 -3.470 10.648 1.00 0.00 N ATOM 39 CA GLY A 64 -10.807 -4.663 10.449 1.00 0.00 C ATOM 40 C GLY A 64 -11.042 -5.306 9.096 1.00 0.00 C ATOM 41 O GLY A 64 -11.178 -6.526 8.996 1.00 0.00 O ATOM 0 H GLY A 64 -12.497 -3.624 11.121 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.752 -4.409 10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.036 -5.384 11.234 1.00 0.00 H new ATOM 45 N GLN A 65 -11.088 -4.486 8.050 1.00 0.00 N ATOM 46 CA GLN A 65 -11.302 -4.981 6.699 1.00 0.00 C ATOM 47 C GLN A 65 -10.046 -5.668 6.194 1.00 0.00 C ATOM 48 O GLN A 65 -9.088 -5.856 6.943 1.00 0.00 O ATOM 49 CB GLN A 65 -11.673 -3.831 5.764 1.00 0.00 C ATOM 50 CG GLN A 65 -12.738 -2.907 6.328 1.00 0.00 C ATOM 51 CD GLN A 65 -12.773 -1.569 5.619 1.00 0.00 C ATOM 52 OE1 GLN A 65 -11.769 -1.122 5.065 1.00 0.00 O ATOM 53 NE2 GLN A 65 -13.929 -0.918 5.639 1.00 0.00 N ATOM 0 H GLN A 65 -10.979 -3.474 8.115 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.122 -5.699 6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.778 -3.249 5.545 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.025 -4.242 4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.713 -3.386 6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.552 -2.748 7.390 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.736 -1.326 6.110 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.010 -0.009 5.183 1.00 0.00 H new ATOM 62 N LEU A 66 -10.043 -6.035 4.922 1.00 0.00 N ATOM 63 CA LEU A 66 -8.888 -6.693 4.348 1.00 0.00 C ATOM 64 C LEU A 66 -8.259 -5.882 3.231 1.00 0.00 C ATOM 65 O LEU A 66 -8.949 -5.303 2.392 1.00 0.00 O ATOM 66 CB LEU A 66 -9.241 -8.085 3.885 1.00 0.00 C ATOM 67 CG LEU A 66 -8.731 -9.142 4.847 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.450 -9.055 6.179 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.877 -10.502 4.261 1.00 0.00 C ATOM 0 H LEU A 66 -10.819 -5.889 4.277 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.138 -6.774 5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.323 -8.173 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.817 -8.258 2.896 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.671 -8.955 5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.066 -9.823 6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.283 -8.072 6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.518 -9.207 6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.505 -11.244 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.929 -10.696 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.304 -10.563 3.336 1.00 0.00 H new ATOM 81 N CYS A 67 -6.932 -5.844 3.246 1.00 0.00 N ATOM 82 CA CYS A 67 -6.153 -5.110 2.258 1.00 0.00 C ATOM 83 C CYS A 67 -6.670 -5.360 0.843 1.00 0.00 C ATOM 84 O CYS A 67 -7.083 -6.473 0.512 1.00 0.00 O ATOM 85 CB CYS A 67 -4.686 -5.526 2.367 1.00 0.00 C ATOM 86 SG CYS A 67 -3.544 -4.496 1.424 1.00 0.00 S ATOM 0 H CYS A 67 -6.365 -6.323 3.946 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.251 -4.043 2.459 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.393 -5.505 3.417 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.588 -6.558 2.030 1.00 0.00 H new ATOM 91 N CYS A 68 -6.648 -4.318 0.010 1.00 0.00 N ATOM 92 CA CYS A 68 -7.119 -4.434 -1.369 1.00 0.00 C ATOM 93 C CYS A 68 -5.958 -4.441 -2.369 1.00 0.00 C ATOM 94 O CYS A 68 -6.171 -4.298 -3.572 1.00 0.00 O ATOM 95 CB CYS A 68 -8.092 -3.302 -1.707 1.00 0.00 C ATOM 96 SG CYS A 68 -7.325 -1.670 -1.814 1.00 0.00 S ATOM 0 H CYS A 68 -6.311 -3.390 0.265 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.639 -5.388 -1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.576 -3.526 -2.658 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.875 -3.274 -0.950 1.00 0.00 H new ATOM 0 HG CYS A 68 -8.092 -0.874 -2.498 1.00 0.00 H new ATOM 102 N LEU A 69 -4.733 -4.582 -1.868 1.00 0.00 N ATOM 103 CA LEU A 69 -3.558 -4.643 -2.729 1.00 0.00 C ATOM 104 C LEU A 69 -3.135 -6.088 -2.937 1.00 0.00 C ATOM 105 O LEU A 69 -3.536 -6.978 -2.186 1.00 0.00 O ATOM 106 CB LEU A 69 -2.398 -3.849 -2.127 1.00 0.00 C ATOM 107 CG LEU A 69 -2.562 -2.336 -2.185 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.361 -1.641 -1.561 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.755 -1.881 -3.622 1.00 0.00 C ATOM 0 H LEU A 69 -4.530 -4.656 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.820 -4.201 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.273 -4.147 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.480 -4.121 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.448 -2.063 -1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.498 -0.561 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.266 -1.945 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.457 -1.918 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.871 -0.797 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.886 -2.167 -4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.647 -2.351 -4.036 1.00 0.00 H new ATOM 121 N ARG A 70 -2.320 -6.316 -3.956 1.00 0.00 N ATOM 122 CA ARG A 70 -1.847 -7.656 -4.265 1.00 0.00 C ATOM 123 C ARG A 70 -0.325 -7.709 -4.252 1.00 0.00 C ATOM 124 O ARG A 70 0.341 -6.761 -4.665 1.00 0.00 O ATOM 125 CB ARG A 70 -2.363 -8.091 -5.637 1.00 0.00 C ATOM 126 CG ARG A 70 -3.811 -7.704 -5.893 1.00 0.00 C ATOM 127 CD ARG A 70 -4.244 -8.068 -7.304 1.00 0.00 C ATOM 128 NE ARG A 70 -3.880 -9.438 -7.660 1.00 0.00 N ATOM 129 CZ ARG A 70 -4.035 -9.946 -8.878 1.00 0.00 C ATOM 130 NH1 ARG A 70 -4.568 -9.210 -9.844 1.00 0.00 N ATOM 131 NH2 ARG A 70 -3.662 -11.194 -9.130 1.00 0.00 N ATOM 0 H ARG A 70 -1.973 -5.590 -4.583 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.227 -8.335 -3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.735 -7.647 -6.410 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.263 -9.173 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.456 -8.207 -5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.935 -6.632 -5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.324 -7.946 -7.393 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.786 -7.377 -8.012 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.486 -10.036 -6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.860 -8.252 -9.653 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.686 -9.602 -10.778 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.256 -11.765 -8.388 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.781 -11.583 -10.065 1.00 0.00 H new ATOM 145 N GLU A 71 0.220 -8.819 -3.771 1.00 0.00 N ATOM 146 CA GLU A 71 1.664 -8.995 -3.726 1.00 0.00 C ATOM 147 C GLU A 71 2.058 -10.270 -4.459 1.00 0.00 C ATOM 148 O GLU A 71 1.767 -11.377 -4.002 1.00 0.00 O ATOM 149 CB GLU A 71 2.163 -9.043 -2.282 1.00 0.00 C ATOM 150 CG GLU A 71 3.647 -8.740 -2.150 1.00 0.00 C ATOM 151 CD GLU A 71 4.354 -9.683 -1.198 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.965 -9.732 -0.013 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.295 -10.375 -1.640 1.00 0.00 O ATOM 0 H GLU A 71 -0.315 -9.608 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 71 2.129 -8.141 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.598 -8.327 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.962 -10.031 -1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.115 -8.803 -3.132 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.775 -7.715 -1.801 1.00 0.00 H new ATOM 160 N ASP A 72 2.713 -10.109 -5.603 1.00 0.00 N ATOM 161 CA ASP A 72 3.133 -11.245 -6.413 1.00 0.00 C ATOM 162 C ASP A 72 1.929 -12.087 -6.825 1.00 0.00 C ATOM 163 O ASP A 72 2.056 -13.280 -7.096 1.00 0.00 O ATOM 164 CB ASP A 72 4.145 -12.103 -5.652 1.00 0.00 C ATOM 165 CG ASP A 72 5.523 -11.469 -5.618 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.615 -10.268 -5.289 1.00 0.00 O ATOM 167 OD2 ASP A 72 6.509 -12.173 -5.925 1.00 0.00 O ATOM 0 H ASP A 72 2.965 -9.200 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 72 3.611 -10.862 -7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.793 -12.258 -4.632 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.210 -13.085 -6.120 1.00 0.00 H new ATOM 172 N GLY A 73 0.760 -11.452 -6.871 1.00 0.00 N ATOM 173 CA GLY A 73 -0.451 -12.152 -7.259 1.00 0.00 C ATOM 174 C GLY A 73 -1.335 -12.519 -6.080 1.00 0.00 C ATOM 175 O GLY A 73 -2.474 -12.945 -6.267 1.00 0.00 O ATOM 0 H GLY A 73 0.631 -10.465 -6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.018 -11.528 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.181 -13.060 -7.799 1.00 0.00 H new ATOM 179 N GLU A 74 -0.820 -12.355 -4.864 1.00 0.00 N ATOM 180 CA GLU A 74 -1.587 -12.685 -3.665 1.00 0.00 C ATOM 181 C GLU A 74 -2.301 -11.462 -3.106 1.00 0.00 C ATOM 182 O GLU A 74 -1.715 -10.385 -2.997 1.00 0.00 O ATOM 183 CB GLU A 74 -0.675 -13.297 -2.601 1.00 0.00 C ATOM 184 CG GLU A 74 -0.583 -14.809 -2.687 1.00 0.00 C ATOM 185 CD GLU A 74 -1.934 -15.480 -2.522 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.714 -15.494 -3.497 1.00 0.00 O ATOM 187 OE2 GLU A 74 -2.214 -15.988 -1.417 1.00 0.00 O ATOM 0 H GLU A 74 0.118 -11.998 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.345 -13.416 -3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.324 -12.873 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.042 -13.018 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.156 -15.090 -3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.097 -15.173 -1.917 1.00 0.00 H new ATOM 194 N ARG A 75 -3.572 -11.639 -2.741 1.00 0.00 N ATOM 195 CA ARG A 75 -4.368 -10.546 -2.206 1.00 0.00 C ATOM 196 C ARG A 75 -4.039 -10.281 -0.738 1.00 0.00 C ATOM 197 O ARG A 75 -4.922 -10.296 0.112 1.00 0.00 O ATOM 198 CB ARG A 75 -5.853 -10.890 -2.354 1.00 0.00 C ATOM 199 CG ARG A 75 -6.556 -10.124 -3.460 1.00 0.00 C ATOM 200 CD ARG A 75 -5.919 -10.382 -4.814 1.00 0.00 C ATOM 201 NE ARG A 75 -5.910 -11.804 -5.156 1.00 0.00 N ATOM 202 CZ ARG A 75 -6.097 -12.288 -6.385 1.00 0.00 C ATOM 203 NH1 ARG A 75 -6.339 -11.480 -7.413 1.00 0.00 N ATOM 204 NH2 ARG A 75 -6.041 -13.596 -6.590 1.00 0.00 N ATOM 0 H ARG A 75 -4.066 -12.529 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.135 -9.640 -2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.951 -11.958 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.358 -10.689 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.607 -10.412 -3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.525 -9.057 -3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.461 -9.829 -5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.897 -10.004 -4.811 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.750 -12.472 -4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.384 -10.471 -7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.479 -11.869 -8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.856 -14.227 -5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.183 -13.972 -7.528 1.00 0.00 H new ATOM 218 N CYS A 76 -2.770 -9.971 -0.478 1.00 0.00 N ATOM 219 CA CYS A 76 -2.275 -9.666 0.869 1.00 0.00 C ATOM 220 C CYS A 76 -2.783 -10.642 1.945 1.00 0.00 C ATOM 221 O CYS A 76 -2.043 -11.519 2.392 1.00 0.00 O ATOM 222 CB CYS A 76 -2.635 -8.226 1.237 1.00 0.00 C ATOM 223 SG CYS A 76 -1.537 -7.484 2.465 1.00 0.00 S ATOM 0 H CYS A 76 -2.050 -9.923 -1.199 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.192 -9.785 0.843 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.618 -7.616 0.334 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.656 -8.204 1.617 1.00 0.00 H new ATOM 228 N GLY A 77 -4.035 -10.484 2.366 1.00 0.00 N ATOM 229 CA GLY A 77 -4.587 -11.341 3.398 1.00 0.00 C ATOM 230 C GLY A 77 -4.687 -10.613 4.718 1.00 0.00 C ATOM 231 O GLY A 77 -5.640 -10.800 5.477 1.00 0.00 O ATOM 0 H GLY A 77 -4.677 -9.776 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.575 -11.688 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.960 -12.225 3.514 1.00 0.00 H new ATOM 235 N ARG A 78 -3.690 -9.778 4.989 1.00 0.00 N ATOM 236 CA ARG A 78 -3.661 -8.992 6.211 1.00 0.00 C ATOM 237 C ARG A 78 -4.811 -7.995 6.205 1.00 0.00 C ATOM 238 O ARG A 78 -5.246 -7.548 5.144 1.00 0.00 O ATOM 239 CB ARG A 78 -2.324 -8.260 6.332 1.00 0.00 C ATOM 240 CG ARG A 78 -2.168 -7.474 7.621 1.00 0.00 C ATOM 241 CD ARG A 78 -0.748 -6.959 7.777 1.00 0.00 C ATOM 242 NE ARG A 78 -0.522 -6.372 9.097 1.00 0.00 N ATOM 243 CZ ARG A 78 0.616 -6.482 9.784 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.660 -7.134 9.281 1.00 0.00 N ATOM 245 NH2 ARG A 78 0.714 -5.928 10.985 1.00 0.00 N ATOM 0 H ARG A 78 -2.890 -9.630 4.374 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.772 -9.656 7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.515 -8.987 6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.216 -7.579 5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.865 -6.636 7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.424 -8.107 8.470 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.046 -7.777 7.619 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.546 -6.213 7.009 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.285 -5.844 9.520 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.598 -7.560 8.356 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.523 -7.209 9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.079 -5.421 11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.582 -6.009 11.515 1.00 0.00 H new ATOM 259 N ALA A 79 -5.306 -7.648 7.381 1.00 0.00 N ATOM 260 CA ALA A 79 -6.417 -6.717 7.476 1.00 0.00 C ATOM 261 C ALA A 79 -5.980 -5.291 7.123 1.00 0.00 C ATOM 262 O ALA A 79 -4.787 -4.981 7.113 1.00 0.00 O ATOM 263 CB ALA A 79 -7.018 -6.763 8.870 1.00 0.00 C ATOM 0 H ALA A 79 -4.960 -7.993 8.276 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.176 -7.018 6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.850 -6.061 8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.377 -7.771 9.078 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.259 -6.490 9.603 1.00 0.00 H new ATOM 269 N ALA A 80 -6.954 -4.430 6.828 1.00 0.00 N ATOM 270 CA ALA A 80 -6.673 -3.035 6.478 1.00 0.00 C ATOM 271 C ALA A 80 -6.436 -2.186 7.727 1.00 0.00 C ATOM 272 O ALA A 80 -7.052 -2.414 8.768 1.00 0.00 O ATOM 273 CB ALA A 80 -7.815 -2.459 5.655 1.00 0.00 C ATOM 0 H ALA A 80 -7.945 -4.673 6.824 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.761 -3.014 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.594 -1.422 5.401 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.933 -3.039 4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.738 -2.502 6.233 1.00 0.00 H new ATOM 279 N GLY A 81 -5.552 -1.194 7.612 1.00 0.00 N ATOM 280 CA GLY A 81 -5.239 -0.341 8.749 1.00 0.00 C ATOM 281 C GLY A 81 -5.722 1.092 8.598 1.00 0.00 C ATOM 282 O GLY A 81 -6.797 1.343 8.051 1.00 0.00 O ATOM 0 H GLY A 81 -5.049 -0.967 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.684 -0.771 9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.160 -0.336 8.900 1.00 0.00 H new ATOM 286 N ASN A 82 -4.913 2.034 9.086 1.00 0.00 N ATOM 287 CA ASN A 82 -5.252 3.457 9.042 1.00 0.00 C ATOM 288 C ASN A 82 -4.611 4.171 7.855 1.00 0.00 C ATOM 289 O ASN A 82 -4.416 5.385 7.891 1.00 0.00 O ATOM 290 CB ASN A 82 -4.798 4.137 10.336 1.00 0.00 C ATOM 291 CG ASN A 82 -5.930 4.329 11.323 1.00 0.00 C ATOM 292 OD1 ASN A 82 -7.075 4.559 10.936 1.00 0.00 O ATOM 293 ND2 ASN A 82 -5.614 4.238 12.609 1.00 0.00 N ATOM 0 H ASN A 82 -4.012 1.834 9.519 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.334 3.526 8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.014 3.539 10.800 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.360 5.107 10.098 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.334 4.360 13.321 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.651 4.046 12.885 1.00 0.00 H new ATOM 300 N ALA A 83 -4.290 3.428 6.805 1.00 0.00 N ATOM 301 CA ALA A 83 -3.669 4.026 5.630 1.00 0.00 C ATOM 302 C ALA A 83 -4.591 3.966 4.419 1.00 0.00 C ATOM 303 O ALA A 83 -5.449 3.090 4.318 1.00 0.00 O ATOM 304 CB ALA A 83 -2.346 3.343 5.326 1.00 0.00 C ATOM 0 H ALA A 83 -4.447 2.422 6.741 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.481 5.077 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.894 3.800 4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.675 3.454 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.519 2.284 5.136 1.00 0.00 H new ATOM 310 N SER A 84 -4.406 4.910 3.503 1.00 0.00 N ATOM 311 CA SER A 84 -5.211 4.970 2.291 1.00 0.00 C ATOM 312 C SER A 84 -4.323 4.922 1.055 1.00 0.00 C ATOM 313 O SER A 84 -3.164 5.335 1.096 1.00 0.00 O ATOM 314 CB SER A 84 -6.047 6.252 2.270 1.00 0.00 C ATOM 315 OG SER A 84 -5.228 7.390 2.057 1.00 0.00 O ATOM 0 H SER A 84 -3.703 5.646 3.578 1.00 0.00 H new ATOM 0 HA SER A 84 -5.877 4.107 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.798 6.188 1.483 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.583 6.357 3.214 1.00 0.00 H new ATOM 0 HG SER A 84 -5.785 8.196 2.046 1.00 0.00 H new ATOM 321 N PHE A 85 -4.868 4.411 -0.041 1.00 0.00 N ATOM 322 CA PHE A 85 -4.126 4.326 -1.290 1.00 0.00 C ATOM 323 C PHE A 85 -4.348 5.587 -2.115 1.00 0.00 C ATOM 324 O PHE A 85 -5.470 5.880 -2.529 1.00 0.00 O ATOM 325 CB PHE A 85 -4.555 3.091 -2.081 1.00 0.00 C ATOM 326 CG PHE A 85 -3.880 2.957 -3.417 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.604 2.424 -3.517 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.530 3.350 -4.575 1.00 0.00 C ATOM 329 CE1 PHE A 85 -1.990 2.287 -4.749 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.925 3.212 -5.808 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.655 2.680 -5.896 1.00 0.00 C ATOM 0 H PHE A 85 -5.821 4.050 -0.090 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.064 4.237 -1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.344 2.201 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.634 3.125 -2.232 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.084 2.112 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.523 3.770 -4.513 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.994 1.874 -4.815 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.445 3.520 -6.703 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.181 2.571 -6.860 1.00 0.00 H new ATOM 341 N SER A 86 -3.275 6.332 -2.342 1.00 0.00 N ATOM 342 CA SER A 86 -3.351 7.571 -3.106 1.00 0.00 C ATOM 343 C SER A 86 -2.497 7.490 -4.366 1.00 0.00 C ATOM 344 O SER A 86 -2.078 6.408 -4.774 1.00 0.00 O ATOM 345 CB SER A 86 -2.884 8.740 -2.237 1.00 0.00 C ATOM 346 OG SER A 86 -1.518 8.594 -1.884 1.00 0.00 O ATOM 0 H SER A 86 -2.340 6.100 -2.008 1.00 0.00 H new ATOM 0 HA SER A 86 -4.387 7.728 -3.406 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.027 9.678 -2.774 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.493 8.794 -1.335 1.00 0.00 H new ATOM 0 HG SER A 86 -1.240 9.353 -1.330 1.00 0.00 H new ATOM 352 N LYS A 87 -2.294 8.635 -5.008 1.00 0.00 N ATOM 353 CA LYS A 87 -1.464 8.704 -6.212 1.00 0.00 C ATOM 354 C LYS A 87 0.033 8.686 -5.876 1.00 0.00 C ATOM 355 O LYS A 87 0.837 8.140 -6.632 1.00 0.00 O ATOM 356 CB LYS A 87 -1.808 9.927 -7.082 1.00 0.00 C ATOM 357 CG LYS A 87 -2.269 11.175 -6.330 1.00 0.00 C ATOM 358 CD LYS A 87 -3.719 11.515 -6.661 1.00 0.00 C ATOM 359 CE LYS A 87 -4.634 11.367 -5.456 1.00 0.00 C ATOM 360 NZ LYS A 87 -4.331 12.373 -4.401 1.00 0.00 N ATOM 0 H LYS A 87 -2.691 9.529 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.690 7.809 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.929 10.187 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.591 9.640 -7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.166 11.015 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.627 12.017 -6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.774 12.538 -7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.069 10.865 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.671 11.475 -5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.529 10.364 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.110 12.399 -3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.449 12.112 -3.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.222 13.311 -4.837 1.00 0.00 H new ATOM 374 N ARG A 88 0.401 9.291 -4.750 1.00 0.00 N ATOM 375 CA ARG A 88 1.801 9.336 -4.316 1.00 0.00 C ATOM 376 C ARG A 88 2.367 7.927 -4.182 1.00 0.00 C ATOM 377 O ARG A 88 3.466 7.641 -4.660 1.00 0.00 O ATOM 378 CB ARG A 88 1.897 10.100 -2.986 1.00 0.00 C ATOM 379 CG ARG A 88 3.211 9.925 -2.229 1.00 0.00 C ATOM 380 CD ARG A 88 3.066 9.012 -1.012 1.00 0.00 C ATOM 381 NE ARG A 88 1.819 9.245 -0.265 1.00 0.00 N ATOM 382 CZ ARG A 88 1.731 9.826 0.937 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.807 10.274 1.574 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.541 9.956 1.508 1.00 0.00 N ATOM 0 H ARG A 88 -0.249 9.759 -4.118 1.00 0.00 H new ATOM 0 HA ARG A 88 2.395 9.858 -5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.749 11.162 -3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.079 9.779 -2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.962 9.512 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.574 10.901 -1.906 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.099 7.972 -1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.916 9.164 -0.347 1.00 0.00 H new ATOM 0 HE ARG A 88 0.949 8.938 -0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.729 10.179 1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.712 10.713 2.490 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.294 9.615 1.031 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.460 10.397 2.424 1.00 0.00 H new ATOM 398 N ILE A 89 1.612 7.046 -3.538 1.00 0.00 N ATOM 399 CA ILE A 89 2.036 5.665 -3.365 1.00 0.00 C ATOM 400 C ILE A 89 2.106 4.966 -4.719 1.00 0.00 C ATOM 401 O ILE A 89 2.954 4.106 -4.946 1.00 0.00 O ATOM 402 CB ILE A 89 1.084 4.903 -2.423 1.00 0.00 C ATOM 403 CG1 ILE A 89 1.104 5.548 -1.035 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.468 3.432 -2.334 1.00 0.00 C ATOM 405 CD1 ILE A 89 0.111 4.945 -0.068 1.00 0.00 C ATOM 0 H ILE A 89 0.704 7.264 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 89 3.027 5.669 -2.911 1.00 0.00 H new ATOM 0 HB ILE A 89 0.074 4.960 -2.828 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.106 5.456 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.897 6.613 -1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.781 2.917 -1.663 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.414 2.981 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.484 3.344 -1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.184 5.454 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.898 5.060 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.330 3.885 0.065 1.00 0.00 H new ATOM 417 N GLN A 90 1.205 5.351 -5.619 1.00 0.00 N ATOM 418 CA GLN A 90 1.172 4.787 -6.963 1.00 0.00 C ATOM 419 C GLN A 90 2.449 5.154 -7.699 1.00 0.00 C ATOM 420 O GLN A 90 3.112 4.307 -8.298 1.00 0.00 O ATOM 421 CB GLN A 90 -0.037 5.328 -7.729 1.00 0.00 C ATOM 422 CG GLN A 90 -0.199 4.747 -9.125 1.00 0.00 C ATOM 423 CD GLN A 90 -0.011 5.786 -10.217 1.00 0.00 C ATOM 424 OE1 GLN A 90 1.067 5.908 -10.798 1.00 0.00 O ATOM 425 NE2 GLN A 90 -1.062 6.550 -10.493 1.00 0.00 N ATOM 0 H GLN A 90 0.487 6.053 -5.440 1.00 0.00 H new ATOM 0 HA GLN A 90 1.091 3.702 -6.893 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.940 5.121 -7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.051 6.412 -7.806 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.523 3.943 -9.266 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.191 4.304 -9.217 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.937 6.415 -9.987 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.994 7.271 -11.211 1.00 0.00 H new ATOM 434 N LYS A 91 2.783 6.433 -7.633 1.00 0.00 N ATOM 435 CA LYS A 91 3.969 6.952 -8.274 1.00 0.00 C ATOM 436 C LYS A 91 5.224 6.288 -7.708 1.00 0.00 C ATOM 437 O LYS A 91 6.127 5.909 -8.454 1.00 0.00 O ATOM 438 CB LYS A 91 4.001 8.469 -8.103 1.00 0.00 C ATOM 439 CG LYS A 91 3.878 9.212 -9.423 1.00 0.00 C ATOM 440 CD LYS A 91 4.834 10.384 -9.503 1.00 0.00 C ATOM 441 CE LYS A 91 4.179 11.673 -9.030 1.00 0.00 C ATOM 442 NZ LYS A 91 3.531 11.513 -7.699 1.00 0.00 N ATOM 0 H LYS A 91 2.237 7.135 -7.133 1.00 0.00 H new ATOM 0 HA LYS A 91 3.945 6.722 -9.339 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.189 8.773 -7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.933 8.756 -7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.076 8.525 -10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.855 9.569 -9.545 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.715 10.178 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.177 10.505 -10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.929 12.462 -8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.434 11.991 -9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.292 12.449 -7.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.663 10.949 -7.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.184 11.029 -7.051 1.00 0.00 H new ATOM 456 N SER A 92 5.274 6.136 -6.386 1.00 0.00 N ATOM 457 CA SER A 92 6.410 5.485 -5.745 1.00 0.00 C ATOM 458 C SER A 92 6.557 4.067 -6.282 1.00 0.00 C ATOM 459 O SER A 92 7.644 3.651 -6.684 1.00 0.00 O ATOM 460 CB SER A 92 6.236 5.458 -4.224 1.00 0.00 C ATOM 461 OG SER A 92 6.676 6.671 -3.638 1.00 0.00 O ATOM 0 H SER A 92 4.547 6.452 -5.744 1.00 0.00 H new ATOM 0 HA SER A 92 7.312 6.053 -5.973 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.187 5.291 -3.978 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.798 4.623 -3.805 1.00 0.00 H new ATOM 0 HG SER A 92 6.553 6.629 -2.667 1.00 0.00 H new ATOM 467 N ILE A 93 5.451 3.327 -6.282 1.00 0.00 N ATOM 468 CA ILE A 93 5.443 1.963 -6.794 1.00 0.00 C ATOM 469 C ILE A 93 5.926 1.953 -8.239 1.00 0.00 C ATOM 470 O ILE A 93 6.612 1.028 -8.674 1.00 0.00 O ATOM 471 CB ILE A 93 4.027 1.345 -6.726 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.546 1.266 -5.277 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.011 -0.039 -7.362 1.00 0.00 C ATOM 474 CD1 ILE A 93 2.042 1.155 -5.146 1.00 0.00 C ATOM 0 H ILE A 93 4.549 3.651 -5.933 1.00 0.00 H new ATOM 0 HA ILE A 93 6.110 1.367 -6.172 1.00 0.00 H new ATOM 0 HB ILE A 93 3.348 1.989 -7.285 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.009 0.405 -4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.885 2.152 -4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.005 -0.455 -7.303 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.311 0.037 -8.407 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.705 -0.691 -6.832 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.771 1.103 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.572 2.028 -5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.698 0.254 -5.654 1.00 0.00 H new ATOM 486 N SER A 94 5.563 3.002 -8.972 1.00 0.00 N ATOM 487 CA SER A 94 5.945 3.140 -10.372 1.00 0.00 C ATOM 488 C SER A 94 7.459 3.236 -10.517 1.00 0.00 C ATOM 489 O SER A 94 8.047 2.616 -11.403 1.00 0.00 O ATOM 490 CB SER A 94 5.274 4.375 -10.980 1.00 0.00 C ATOM 491 OG SER A 94 3.865 4.301 -10.847 1.00 0.00 O ATOM 0 H SER A 94 5.000 3.774 -8.615 1.00 0.00 H new ATOM 0 HA SER A 94 5.609 2.253 -10.908 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.643 5.274 -10.487 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.540 4.457 -12.034 1.00 0.00 H new ATOM 0 HG SER A 94 3.601 4.648 -9.969 1.00 0.00 H new ATOM 497 N GLN A 95 8.089 4.020 -9.645 1.00 0.00 N ATOM 498 CA GLN A 95 9.536 4.182 -9.681 1.00 0.00 C ATOM 499 C GLN A 95 10.216 2.884 -9.264 1.00 0.00 C ATOM 500 O GLN A 95 11.279 2.530 -9.774 1.00 0.00 O ATOM 501 CB GLN A 95 9.977 5.324 -8.763 1.00 0.00 C ATOM 502 CG GLN A 95 11.353 5.868 -9.106 1.00 0.00 C ATOM 503 CD GLN A 95 11.334 6.766 -10.328 1.00 0.00 C ATOM 504 OE1 GLN A 95 10.407 6.715 -11.136 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.371 7.582 -10.479 1.00 0.00 N ATOM 0 H GLN A 95 7.621 4.549 -8.909 1.00 0.00 H new ATOM 0 HA GLN A 95 9.830 4.428 -10.701 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.248 6.132 -8.823 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.979 4.973 -7.731 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.742 6.427 -8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.036 5.037 -9.281 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.118 7.592 -9.784 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.421 8.199 -11.290 1.00 0.00 H new ATOM 514 N LYS A 96 9.589 2.183 -8.327 1.00 0.00 N ATOM 515 CA LYS A 96 10.105 0.911 -7.844 1.00 0.00 C ATOM 516 C LYS A 96 9.887 -0.168 -8.893 1.00 0.00 C ATOM 517 O LYS A 96 10.694 -1.086 -9.041 1.00 0.00 O ATOM 518 CB LYS A 96 9.382 0.495 -6.567 1.00 0.00 C ATOM 519 CG LYS A 96 9.451 1.511 -5.441 1.00 0.00 C ATOM 520 CD LYS A 96 8.305 1.335 -4.442 1.00 0.00 C ATOM 521 CE LYS A 96 8.002 -0.134 -4.160 1.00 0.00 C ATOM 522 NZ LYS A 96 7.115 -0.307 -2.981 1.00 0.00 N ATOM 0 H LYS A 96 8.718 2.477 -7.885 1.00 0.00 H new ATOM 0 HA LYS A 96 11.170 1.030 -7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.335 0.305 -6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.805 -0.446 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.404 1.413 -4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.418 2.518 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.560 1.837 -3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.410 1.820 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.531 -0.581 -5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.936 -0.670 -3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.627 -0.819 -2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.825 0.626 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.272 -0.850 -3.257 1.00 0.00 H new ATOM 536 N LYS A 97 8.779 -0.043 -9.618 1.00 0.00 N ATOM 537 CA LYS A 97 8.421 -1.012 -10.639 1.00 0.00 C ATOM 538 C LYS A 97 8.373 -2.402 -10.022 1.00 0.00 C ATOM 539 O LYS A 97 9.111 -3.303 -10.420 1.00 0.00 O ATOM 540 CB LYS A 97 9.419 -0.969 -11.796 1.00 0.00 C ATOM 541 CG LYS A 97 8.767 -1.009 -13.168 1.00 0.00 C ATOM 542 CD LYS A 97 8.134 -2.362 -13.450 1.00 0.00 C ATOM 543 CE LYS A 97 8.423 -2.821 -14.870 1.00 0.00 C ATOM 544 NZ LYS A 97 8.031 -1.797 -15.877 1.00 0.00 N ATOM 0 H LYS A 97 8.114 0.724 -9.514 1.00 0.00 H new ATOM 0 HA LYS A 97 7.437 -0.765 -11.038 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.017 -0.062 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.104 -1.812 -11.705 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.006 -0.231 -13.232 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.513 -0.790 -13.932 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.515 -3.099 -12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.056 -2.301 -13.297 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.486 -3.041 -14.971 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.886 -3.749 -15.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 7.904 -2.252 -16.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.139 -1.348 -15.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.776 -1.075 -15.946 1.00 0.00 H new ATOM 558 N VAL A 98 7.499 -2.556 -9.031 1.00 0.00 N ATOM 559 CA VAL A 98 7.342 -3.820 -8.326 1.00 0.00 C ATOM 560 C VAL A 98 6.028 -4.501 -8.692 1.00 0.00 C ATOM 561 O VAL A 98 5.191 -3.922 -9.386 1.00 0.00 O ATOM 562 CB VAL A 98 7.393 -3.607 -6.802 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.771 -3.125 -6.377 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.319 -2.619 -6.367 1.00 0.00 C ATOM 0 H VAL A 98 6.885 -1.813 -8.698 1.00 0.00 H new ATOM 0 HA VAL A 98 8.169 -4.462 -8.630 1.00 0.00 H new ATOM 0 HB VAL A 98 7.199 -4.561 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.789 -2.980 -5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.518 -3.868 -6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.995 -2.181 -6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.369 -2.480 -5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.482 -1.663 -6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.337 -3.006 -6.638 1.00 0.00 H new ATOM 574 N LYS A 99 5.850 -5.730 -8.219 1.00 0.00 N ATOM 575 CA LYS A 99 4.636 -6.485 -8.505 1.00 0.00 C ATOM 576 C LYS A 99 3.528 -6.155 -7.510 1.00 0.00 C ATOM 577 O LYS A 99 3.023 -7.031 -6.809 1.00 0.00 O ATOM 578 CB LYS A 99 4.924 -7.988 -8.503 1.00 0.00 C ATOM 579 CG LYS A 99 5.782 -8.433 -9.677 1.00 0.00 C ATOM 580 CD LYS A 99 5.480 -9.866 -10.086 1.00 0.00 C ATOM 581 CE LYS A 99 6.268 -10.868 -9.258 1.00 0.00 C ATOM 582 NZ LYS A 99 7.736 -10.733 -9.470 1.00 0.00 N ATOM 0 H LYS A 99 6.528 -6.223 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 99 4.292 -6.195 -9.498 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.426 -8.254 -7.573 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.980 -8.533 -8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.611 -7.769 -10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.835 -8.345 -9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.413 -10.059 -9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.717 -10.000 -11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.039 -10.725 -8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.955 -11.879 -9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.202 -11.638 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.921 -10.472 -10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.111 -9.995 -8.841 1.00 0.00 H new ATOM 596 N ILE A 100 3.162 -4.880 -7.457 1.00 0.00 N ATOM 597 CA ILE A 100 2.104 -4.418 -6.571 1.00 0.00 C ATOM 598 C ILE A 100 1.217 -3.415 -7.296 1.00 0.00 C ATOM 599 O ILE A 100 1.702 -2.425 -7.842 1.00 0.00 O ATOM 600 CB ILE A 100 2.667 -3.769 -5.292 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.570 -4.754 -4.548 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.532 -3.302 -4.391 1.00 0.00 C ATOM 603 CD1 ILE A 100 4.202 -4.171 -3.303 1.00 0.00 C ATOM 0 H ILE A 100 3.586 -4.144 -8.022 1.00 0.00 H new ATOM 0 HA ILE A 100 1.520 -5.291 -6.279 1.00 0.00 H new ATOM 0 HB ILE A 100 3.262 -2.901 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.987 -5.633 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.358 -5.093 -5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.946 -2.846 -3.492 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.923 -2.570 -4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.913 -4.155 -4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.829 -4.925 -2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.813 -3.310 -3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.420 -3.858 -2.611 1.00 0.00 H new ATOM 615 N GLU A 101 -0.081 -3.681 -7.306 1.00 0.00 N ATOM 616 CA GLU A 101 -1.033 -2.806 -7.977 1.00 0.00 C ATOM 617 C GLU A 101 -2.408 -2.911 -7.335 1.00 0.00 C ATOM 618 O GLU A 101 -2.781 -3.960 -6.809 1.00 0.00 O ATOM 619 CB GLU A 101 -1.111 -3.158 -9.466 1.00 0.00 C ATOM 620 CG GLU A 101 -0.905 -4.638 -9.754 1.00 0.00 C ATOM 621 CD GLU A 101 -0.919 -4.955 -11.236 1.00 0.00 C ATOM 622 OE1 GLU A 101 0.031 -4.554 -11.940 1.00 0.00 O ATOM 623 OE2 GLU A 101 -1.883 -5.605 -11.693 1.00 0.00 O ATOM 0 H GLU A 101 -0.500 -4.496 -6.857 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.688 -1.777 -7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.084 -2.853 -9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.359 -2.583 -10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.046 -4.958 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.686 -5.213 -9.257 1.00 0.00 H new ATOM 630 N LEU A 102 -3.163 -1.820 -7.381 1.00 0.00 N ATOM 631 CA LEU A 102 -4.491 -1.797 -6.787 1.00 0.00 C ATOM 632 C LEU A 102 -5.417 -2.827 -7.419 1.00 0.00 C ATOM 633 O LEU A 102 -5.373 -3.072 -8.625 1.00 0.00 O ATOM 634 CB LEU A 102 -5.126 -0.407 -6.904 1.00 0.00 C ATOM 635 CG LEU A 102 -6.606 -0.364 -6.511 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.801 -0.879 -5.095 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.174 1.031 -6.638 1.00 0.00 C ATOM 0 H LEU A 102 -2.879 -0.945 -7.821 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.362 -2.048 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.573 0.288 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.023 -0.057 -7.931 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.145 -1.013 -7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.859 -0.840 -4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.450 -1.909 -5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.234 -0.258 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.226 1.023 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.625 1.708 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.082 1.369 -7.670 1.00 0.00 H new ATOM 649 N ASP A 103 -6.256 -3.418 -6.582 1.00 0.00 N ATOM 650 CA ASP A 103 -7.235 -4.392 -7.032 1.00 0.00 C ATOM 651 C ASP A 103 -8.582 -3.691 -7.155 1.00 0.00 C ATOM 652 O ASP A 103 -8.951 -2.899 -6.288 1.00 0.00 O ATOM 653 CB ASP A 103 -7.333 -5.560 -6.050 1.00 0.00 C ATOM 654 CG ASP A 103 -8.088 -6.744 -6.629 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.166 -6.847 -7.872 1.00 0.00 O ATOM 656 OD2 ASP A 103 -8.598 -7.568 -5.841 1.00 0.00 O ATOM 0 H ASP A 103 -6.277 -3.237 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.931 -4.798 -7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.330 -5.877 -5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.831 -5.225 -5.140 1.00 0.00 H new ATOM 661 N LYS A 104 -9.309 -3.968 -8.227 1.00 0.00 N ATOM 662 CA LYS A 104 -10.598 -3.324 -8.448 1.00 0.00 C ATOM 663 C LYS A 104 -11.761 -4.189 -7.965 1.00 0.00 C ATOM 664 O LYS A 104 -12.857 -3.686 -7.723 1.00 0.00 O ATOM 665 CB LYS A 104 -10.770 -3.001 -9.932 1.00 0.00 C ATOM 666 CG LYS A 104 -9.657 -2.136 -10.506 1.00 0.00 C ATOM 667 CD LYS A 104 -9.860 -0.664 -10.181 1.00 0.00 C ATOM 668 CE LYS A 104 -8.948 0.220 -11.018 1.00 0.00 C ATOM 669 NZ LYS A 104 -7.512 -0.128 -10.836 1.00 0.00 N ATOM 0 H LYS A 104 -9.033 -4.629 -8.953 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.610 -2.402 -7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.819 -3.934 -10.494 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.723 -2.492 -10.075 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.698 -2.467 -10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.616 -2.267 -11.587 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.900 -0.390 -10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.664 -0.493 -9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.214 0.122 -12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.105 1.264 -10.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.919 0.607 -11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.296 -0.191 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.317 -1.043 -11.289 1.00 0.00 H new ATOM 683 N SER A 105 -11.521 -5.488 -7.824 1.00 0.00 N ATOM 684 CA SER A 105 -12.561 -6.407 -7.370 1.00 0.00 C ATOM 685 C SER A 105 -13.154 -5.956 -6.036 1.00 0.00 C ATOM 686 O SER A 105 -14.269 -6.341 -5.682 1.00 0.00 O ATOM 687 CB SER A 105 -11.996 -7.823 -7.230 1.00 0.00 C ATOM 688 OG SER A 105 -11.085 -7.905 -6.147 1.00 0.00 O ATOM 0 H SER A 105 -10.621 -5.928 -8.016 1.00 0.00 H new ATOM 0 HA SER A 105 -13.354 -6.407 -8.118 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.812 -8.530 -7.077 1.00 0.00 H new ATOM 0 HB3 SER A 105 -11.494 -8.110 -8.154 1.00 0.00 H new ATOM 0 HG SER A 105 -10.183 -8.077 -6.490 1.00 0.00 H new ATOM 694 N ALA A 106 -12.402 -5.137 -5.304 1.00 0.00 N ATOM 695 CA ALA A 106 -12.837 -4.641 -4.002 1.00 0.00 C ATOM 696 C ALA A 106 -13.900 -3.552 -4.125 1.00 0.00 C ATOM 697 O ALA A 106 -14.241 -3.114 -5.224 1.00 0.00 O ATOM 698 CB ALA A 106 -11.640 -4.114 -3.225 1.00 0.00 C ATOM 0 H ALA A 106 -11.483 -4.802 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.288 -5.476 -3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.970 -3.745 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.917 -4.917 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.174 -3.302 -3.782 1.00 0.00 H new ATOM 704 N ARG A 107 -14.416 -3.125 -2.974 1.00 0.00 N ATOM 705 CA ARG A 107 -15.435 -2.082 -2.914 1.00 0.00 C ATOM 706 C ARG A 107 -14.869 -0.818 -2.272 1.00 0.00 C ATOM 707 O ARG A 107 -15.326 0.292 -2.547 1.00 0.00 O ATOM 708 CB ARG A 107 -16.638 -2.573 -2.102 1.00 0.00 C ATOM 709 CG ARG A 107 -17.973 -2.419 -2.814 1.00 0.00 C ATOM 710 CD ARG A 107 -18.887 -1.440 -2.093 1.00 0.00 C ATOM 711 NE ARG A 107 -20.296 -1.690 -2.402 1.00 0.00 N ATOM 712 CZ ARG A 107 -21.219 -0.739 -2.555 1.00 0.00 C ATOM 713 NH1 ARG A 107 -20.912 0.545 -2.406 1.00 0.00 N ATOM 714 NH2 ARG A 107 -22.466 -1.078 -2.856 1.00 0.00 N ATOM 0 H ARG A 107 -14.141 -3.490 -2.062 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.752 -1.850 -3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -16.490 -3.624 -1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.675 -2.025 -1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.803 -2.074 -3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -18.463 -3.390 -2.883 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.730 -1.520 -1.017 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.627 -0.421 -2.378 1.00 0.00 H new ATOM 0 HE ARG A 107 -20.593 -2.660 -2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.958 0.817 -2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -21.631 1.259 -2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -22.714 -2.061 -2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -23.176 -0.356 -2.974 1.00 0.00 H new ATOM 728 N HIS A 108 -13.866 -1.000 -1.417 1.00 0.00 N ATOM 729 CA HIS A 108 -13.239 0.116 -0.718 1.00 0.00 C ATOM 730 C HIS A 108 -11.730 0.132 -0.936 1.00 0.00 C ATOM 731 O HIS A 108 -11.173 -0.759 -1.579 1.00 0.00 O ATOM 732 CB HIS A 108 -13.527 0.014 0.781 1.00 0.00 C ATOM 733 CG HIS A 108 -12.933 -1.207 1.418 1.00 0.00 C ATOM 734 ND1 HIS A 108 -11.575 -1.440 1.478 1.00 0.00 N ATOM 735 CD2 HIS A 108 -13.521 -2.271 2.019 1.00 0.00 C ATOM 736 CE1 HIS A 108 -11.352 -2.591 2.087 1.00 0.00 C ATOM 737 NE2 HIS A 108 -12.516 -3.115 2.425 1.00 0.00 N ATOM 0 H HIS A 108 -13.470 -1.913 -1.192 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.657 1.039 -1.120 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -13.137 0.901 1.280 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.606 0.008 0.937 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -10.854 -0.820 1.109 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -14.581 -2.426 2.153 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -10.383 -3.029 2.276 1.00 0.00 H new ATOM 746 N LEU A 109 -11.076 1.155 -0.394 1.00 0.00 N ATOM 747 CA LEU A 109 -9.629 1.286 -0.499 1.00 0.00 C ATOM 748 C LEU A 109 -8.977 0.830 0.819 1.00 0.00 C ATOM 749 O LEU A 109 -9.175 -0.312 1.235 1.00 0.00 O ATOM 750 CB LEU A 109 -9.250 2.733 -0.847 1.00 0.00 C ATOM 751 CG LEU A 109 -9.702 3.223 -2.221 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.334 4.688 -2.404 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.080 2.374 -3.319 1.00 0.00 C ATOM 0 H LEU A 109 -11.529 1.908 0.124 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.259 0.649 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.673 3.392 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.166 2.830 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.786 3.127 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.662 5.025 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.823 5.285 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.253 4.805 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.412 2.737 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.994 2.440 -3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.388 1.336 -3.194 1.00 0.00 H new ATOM 765 N TYR A 110 -8.212 1.706 1.482 1.00 0.00 N ATOM 766 CA TYR A 110 -7.574 1.354 2.742 1.00 0.00 C ATOM 767 C TYR A 110 -6.572 0.222 2.568 1.00 0.00 C ATOM 768 O TYR A 110 -6.923 -0.879 2.145 1.00 0.00 O ATOM 769 CB TYR A 110 -8.629 0.964 3.777 1.00 0.00 C ATOM 770 CG TYR A 110 -9.446 2.134 4.273 1.00 0.00 C ATOM 771 CD1 TYR A 110 -10.476 2.663 3.507 1.00 0.00 C ATOM 772 CD2 TYR A 110 -9.182 2.711 5.508 1.00 0.00 C ATOM 773 CE1 TYR A 110 -11.223 3.734 3.960 1.00 0.00 C ATOM 774 CE2 TYR A 110 -9.925 3.782 5.968 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.943 4.290 5.190 1.00 0.00 C ATOM 776 OH TYR A 110 -11.684 5.357 5.644 1.00 0.00 O ATOM 0 H TYR A 110 -8.025 2.657 1.164 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.030 2.231 3.093 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.298 0.222 3.341 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.136 0.489 4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -10.697 2.231 2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -8.383 2.317 6.119 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -12.022 4.133 3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -9.709 4.218 6.932 1.00 0.00 H new ATOM 0 HH TYR A 110 -11.359 5.628 6.528 1.00 0.00 H new ATOM 786 N ILE A 111 -5.319 0.507 2.900 1.00 0.00 N ATOM 787 CA ILE A 111 -4.256 -0.479 2.801 1.00 0.00 C ATOM 788 C ILE A 111 -3.739 -0.839 4.187 1.00 0.00 C ATOM 789 O ILE A 111 -3.879 -0.063 5.132 1.00 0.00 O ATOM 790 CB ILE A 111 -3.084 0.033 1.943 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.535 1.338 2.518 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.526 0.226 0.501 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.370 1.903 1.736 1.00 0.00 C ATOM 0 H ILE A 111 -5.015 1.419 3.242 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.677 -1.362 2.320 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.289 -0.712 1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.335 2.078 2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.222 1.168 3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.686 0.588 -0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.872 -0.725 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.337 0.953 0.463 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.033 2.829 2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.553 1.182 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.683 2.106 0.712 1.00 0.00 H new ATOM 805 N CYS A 112 -3.147 -2.019 4.306 1.00 0.00 N ATOM 806 CA CYS A 112 -2.610 -2.472 5.582 1.00 0.00 C ATOM 807 C CYS A 112 -1.328 -1.721 5.925 1.00 0.00 C ATOM 808 O CYS A 112 -0.738 -1.057 5.072 1.00 0.00 O ATOM 809 CB CYS A 112 -2.340 -3.975 5.537 1.00 0.00 C ATOM 810 SG CYS A 112 -1.287 -4.491 4.162 1.00 0.00 S ATOM 0 H CYS A 112 -3.026 -2.678 3.537 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.349 -2.267 6.357 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.872 -4.278 6.474 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.291 -4.503 5.471 1.00 0.00 H new ATOM 815 N ASP A 113 -0.906 -1.824 7.180 1.00 0.00 N ATOM 816 CA ASP A 113 0.311 -1.163 7.631 1.00 0.00 C ATOM 817 C ASP A 113 1.529 -1.770 6.943 1.00 0.00 C ATOM 818 O ASP A 113 2.547 -1.104 6.750 1.00 0.00 O ATOM 819 CB ASP A 113 0.448 -1.293 9.150 1.00 0.00 C ATOM 820 CG ASP A 113 1.544 -0.410 9.714 1.00 0.00 C ATOM 821 OD1 ASP A 113 2.680 -0.469 9.199 1.00 0.00 O ATOM 822 OD2 ASP A 113 1.266 0.339 10.675 1.00 0.00 O ATOM 0 H ASP A 113 -1.389 -2.359 7.902 1.00 0.00 H new ATOM 0 HA ASP A 113 0.252 -0.106 7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.501 -1.034 9.620 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.656 -2.332 9.405 1.00 0.00 H new ATOM 827 N TYR A 114 1.407 -3.041 6.570 1.00 0.00 N ATOM 828 CA TYR A 114 2.485 -3.762 5.904 1.00 0.00 C ATOM 829 C TYR A 114 2.932 -3.050 4.630 1.00 0.00 C ATOM 830 O TYR A 114 4.080 -2.623 4.518 1.00 0.00 O ATOM 831 CB TYR A 114 2.021 -5.183 5.573 1.00 0.00 C ATOM 832 CG TYR A 114 3.048 -6.013 4.837 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.125 -6.576 5.509 1.00 0.00 C ATOM 834 CD2 TYR A 114 2.937 -6.241 3.471 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.063 -7.342 4.842 1.00 0.00 C ATOM 836 CE2 TYR A 114 3.870 -7.006 2.796 1.00 0.00 C ATOM 837 CZ TYR A 114 4.930 -7.553 3.486 1.00 0.00 C ATOM 838 OH TYR A 114 5.861 -8.315 2.818 1.00 0.00 O ATOM 0 H TYR A 114 0.564 -3.596 6.720 1.00 0.00 H new ATOM 0 HA TYR A 114 3.339 -3.799 6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.755 -5.692 6.500 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.115 -5.126 4.969 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.232 -6.413 6.571 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.108 -5.813 2.927 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.895 -7.772 5.380 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.769 -7.174 1.734 1.00 0.00 H new ATOM 0 HH TYR A 114 5.621 -8.367 1.869 1.00 0.00 H new ATOM 848 N HIS A 115 2.016 -2.915 3.677 1.00 0.00 N ATOM 849 CA HIS A 115 2.328 -2.267 2.408 1.00 0.00 C ATOM 850 C HIS A 115 2.660 -0.787 2.598 1.00 0.00 C ATOM 851 O HIS A 115 3.528 -0.249 1.912 1.00 0.00 O ATOM 852 CB HIS A 115 1.166 -2.429 1.423 1.00 0.00 C ATOM 853 CG HIS A 115 1.057 -3.814 0.858 1.00 0.00 C ATOM 854 ND1 HIS A 115 -0.157 -4.443 0.724 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.033 -4.638 0.404 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.102 -5.625 0.195 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.417 -5.789 -0.016 1.00 0.00 N ATOM 0 H HIS A 115 1.054 -3.245 3.759 1.00 0.00 H new ATOM 0 HA HIS A 115 3.211 -2.756 1.997 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.233 -2.175 1.927 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.290 -1.719 0.605 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -1.072 -4.073 0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.092 -4.428 0.378 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.649 -6.365 -0.038 1.00 0.00 H new ATOM 865 N LYS A 116 1.973 -0.131 3.529 1.00 0.00 N ATOM 866 CA LYS A 116 2.220 1.284 3.789 1.00 0.00 C ATOM 867 C LYS A 116 3.685 1.515 4.145 1.00 0.00 C ATOM 868 O LYS A 116 4.360 2.349 3.542 1.00 0.00 O ATOM 869 CB LYS A 116 1.331 1.795 4.925 1.00 0.00 C ATOM 870 CG LYS A 116 1.449 3.295 5.149 1.00 0.00 C ATOM 871 CD LYS A 116 0.901 3.711 6.505 1.00 0.00 C ATOM 872 CE LYS A 116 1.677 3.063 7.639 1.00 0.00 C ATOM 873 NZ LYS A 116 3.137 3.019 7.359 1.00 0.00 N ATOM 0 H LYS A 116 1.248 -0.551 4.111 1.00 0.00 H new ATOM 0 HA LYS A 116 1.980 1.836 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.293 1.548 4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.594 1.275 5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.495 3.592 5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.910 3.823 4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.950 4.796 6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.150 3.432 6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.501 3.616 8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.308 2.050 7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.662 2.981 8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.357 2.174 6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.415 3.871 6.831 1.00 0.00 H new ATOM 887 N ASN A 117 4.166 0.766 5.131 1.00 0.00 N ATOM 888 CA ASN A 117 5.547 0.879 5.583 1.00 0.00 C ATOM 889 C ASN A 117 6.520 0.419 4.503 1.00 0.00 C ATOM 890 O ASN A 117 7.543 1.058 4.256 1.00 0.00 O ATOM 891 CB ASN A 117 5.748 0.043 6.851 1.00 0.00 C ATOM 892 CG ASN A 117 7.172 0.098 7.368 1.00 0.00 C ATOM 893 OD1 ASN A 117 8.024 -0.691 6.961 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.434 1.030 8.277 1.00 0.00 N ATOM 0 H ASN A 117 3.616 0.070 5.635 1.00 0.00 H new ATOM 0 HA ASN A 117 5.749 1.928 5.799 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.070 0.399 7.627 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.481 -0.993 6.644 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.373 1.113 8.667 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.696 1.663 8.585 1.00 0.00 H new ATOM 901 N LEU A 118 6.187 -0.691 3.859 1.00 0.00 N ATOM 902 CA LEU A 118 7.027 -1.262 2.811 1.00 0.00 C ATOM 903 C LEU A 118 7.252 -0.276 1.664 1.00 0.00 C ATOM 904 O LEU A 118 8.373 -0.113 1.188 1.00 0.00 O ATOM 905 CB LEU A 118 6.379 -2.545 2.279 1.00 0.00 C ATOM 906 CG LEU A 118 7.291 -3.455 1.451 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.712 -4.861 1.383 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.482 -2.895 0.049 1.00 0.00 C ATOM 0 H LEU A 118 5.334 -1.219 4.045 1.00 0.00 H new ATOM 0 HA LEU A 118 8.001 -1.490 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.998 -3.116 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.519 -2.270 1.668 1.00 0.00 H new ATOM 0 HG LEU A 118 8.265 -3.499 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.370 -5.497 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.624 -5.267 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.727 -4.827 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.133 -3.557 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.515 -2.821 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.935 -1.906 0.111 1.00 0.00 H new ATOM 920 N ILE A 119 6.186 0.393 1.241 1.00 0.00 N ATOM 921 CA ILE A 119 6.261 1.334 0.124 1.00 0.00 C ATOM 922 C ILE A 119 6.866 2.685 0.515 1.00 0.00 C ATOM 923 O ILE A 119 7.810 3.154 -0.118 1.00 0.00 O ATOM 924 CB ILE A 119 4.864 1.558 -0.488 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.279 0.222 -0.945 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.933 2.540 -1.649 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.848 0.316 -1.426 1.00 0.00 C ATOM 0 H ILE A 119 5.257 0.303 1.653 1.00 0.00 H new ATOM 0 HA ILE A 119 6.925 0.880 -0.611 1.00 0.00 H new ATOM 0 HB ILE A 119 4.212 1.987 0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.897 -0.179 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.329 -0.488 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.936 2.682 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.318 3.496 -1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.595 2.146 -2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.502 -0.671 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.216 0.687 -0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.793 1.000 -2.273 1.00 0.00 H new ATOM 939 N GLN A 120 6.316 3.304 1.548 1.00 0.00 N ATOM 940 CA GLN A 120 6.781 4.616 1.998 1.00 0.00 C ATOM 941 C GLN A 120 8.266 4.642 2.367 1.00 0.00 C ATOM 942 O GLN A 120 8.974 5.593 2.035 1.00 0.00 O ATOM 943 CB GLN A 120 5.972 5.070 3.215 1.00 0.00 C ATOM 944 CG GLN A 120 4.613 5.644 2.885 1.00 0.00 C ATOM 945 CD GLN A 120 4.478 7.093 3.314 1.00 0.00 C ATOM 946 OE1 GLN A 120 4.606 8.009 2.502 1.00 0.00 O ATOM 947 NE2 GLN A 120 4.240 7.309 4.603 1.00 0.00 N ATOM 0 H GLN A 120 5.545 2.921 2.095 1.00 0.00 H new ATOM 0 HA GLN A 120 6.638 5.291 1.154 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.841 4.221 3.886 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.547 5.820 3.759 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.440 5.568 1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.842 5.049 3.375 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.141 6.521 5.242 1.00 0.00 H new ATOM 0 HE22 GLN A 120 4.157 8.263 4.953 1.00 0.00 H new ATOM 956 N SER A 121 8.737 3.597 3.041 1.00 0.00 N ATOM 957 CA SER A 121 10.123 3.558 3.521 1.00 0.00 C ATOM 958 C SER A 121 11.161 3.253 2.438 1.00 0.00 C ATOM 959 O SER A 121 12.346 3.122 2.748 1.00 0.00 O ATOM 960 CB SER A 121 10.256 2.549 4.660 1.00 0.00 C ATOM 961 OG SER A 121 10.103 1.223 4.191 1.00 0.00 O ATOM 0 H SER A 121 8.187 2.769 3.268 1.00 0.00 H new ATOM 0 HA SER A 121 10.340 4.567 3.871 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.231 2.659 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.505 2.757 5.422 1.00 0.00 H new ATOM 0 HG SER A 121 9.240 0.868 4.490 1.00 0.00 H new ATOM 967 N VAL A 122 10.749 3.137 1.182 1.00 0.00 N ATOM 968 CA VAL A 122 11.709 2.869 0.113 1.00 0.00 C ATOM 969 C VAL A 122 12.264 4.181 -0.437 1.00 0.00 C ATOM 970 O VAL A 122 13.415 4.250 -0.868 1.00 0.00 O ATOM 971 CB VAL A 122 11.098 2.031 -1.027 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.100 1.844 -2.158 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.640 0.682 -0.494 1.00 0.00 C ATOM 0 H VAL A 122 9.778 3.222 0.880 1.00 0.00 H new ATOM 0 HA VAL A 122 12.520 2.283 0.546 1.00 0.00 H new ATOM 0 HB VAL A 122 10.235 2.565 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.647 1.250 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.388 2.818 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 122 12.984 1.330 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.210 0.097 -1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.493 0.148 -0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.889 0.833 0.281 1.00 0.00 H new ATOM 983 N ARG A 123 11.432 5.216 -0.423 1.00 0.00 N ATOM 984 CA ARG A 123 11.842 6.535 -0.880 1.00 0.00 C ATOM 985 C ARG A 123 12.012 7.485 0.308 1.00 0.00 C ATOM 986 O ARG A 123 12.597 8.560 0.173 1.00 0.00 O ATOM 987 CB ARG A 123 10.819 7.110 -1.865 1.00 0.00 C ATOM 988 CG ARG A 123 10.473 6.161 -3.000 1.00 0.00 C ATOM 989 CD ARG A 123 9.695 6.863 -4.105 1.00 0.00 C ATOM 990 NE ARG A 123 10.552 7.690 -4.954 1.00 0.00 N ATOM 991 CZ ARG A 123 10.092 8.655 -5.747 1.00 0.00 C ATOM 992 NH1 ARG A 123 8.795 8.934 -5.773 1.00 0.00 N ATOM 993 NH2 ARG A 123 10.928 9.346 -6.512 1.00 0.00 N ATOM 0 H ARG A 123 10.466 5.165 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 123 12.799 6.433 -1.391 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.908 7.364 -1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.210 8.037 -2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.389 5.738 -3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 123 9.884 5.330 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 123 9.190 6.118 -4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.920 7.486 -3.660 1.00 0.00 H new ATOM 0 HE ARG A 123 11.557 7.518 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 123 8.148 8.409 -5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 123 8.445 9.674 -6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 123 11.926 9.138 -6.493 1.00 0.00 H new ATOM 0 HH22 ARG A 123 10.572 10.085 -7.119 1.00 0.00 H new ATOM 1007 N ASN A 124 11.493 7.085 1.476 1.00 0.00 N ATOM 1008 CA ASN A 124 11.588 7.905 2.683 1.00 0.00 C ATOM 1009 C ASN A 124 11.170 9.338 2.382 1.00 0.00 C ATOM 1010 O ASN A 124 11.903 10.286 2.662 1.00 0.00 O ATOM 1011 CB ASN A 124 13.015 7.875 3.235 1.00 0.00 C ATOM 1012 CG ASN A 124 13.117 8.510 4.607 1.00 0.00 C ATOM 1013 OD1 ASN A 124 12.148 8.530 5.368 1.00 0.00 O ATOM 1014 ND2 ASN A 124 14.295 9.030 4.933 1.00 0.00 N ATOM 0 H ASN A 124 11.004 6.199 1.607 1.00 0.00 H new ATOM 0 HA ASN A 124 10.914 7.495 3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 124 13.359 6.842 3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 124 13.679 8.397 2.546 1.00 0.00 H new ATOM 0 HD21 ASN A 124 14.424 9.468 5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 124 15.070 8.991 4.271 1.00 0.00 H new ATOM 1021 N ARG A 125 9.980 9.482 1.817 1.00 0.00 N ATOM 1022 CA ARG A 125 9.458 10.786 1.444 1.00 0.00 C ATOM 1023 C ARG A 125 8.822 11.503 2.646 1.00 0.00 C ATOM 1024 O ARG A 125 9.529 12.145 3.423 1.00 0.00 O ATOM 1025 CB ARG A 125 8.483 10.613 0.273 1.00 0.00 C ATOM 1026 CG ARG A 125 8.166 11.893 -0.472 1.00 0.00 C ATOM 1027 CD ARG A 125 7.763 11.595 -1.906 1.00 0.00 C ATOM 1028 NE ARG A 125 6.505 12.235 -2.266 1.00 0.00 N ATOM 1029 CZ ARG A 125 5.956 12.154 -3.473 1.00 0.00 C ATOM 1030 NH1 ARG A 125 6.553 11.455 -4.430 1.00 0.00 N ATOM 1031 NH2 ARG A 125 4.811 12.771 -3.723 1.00 0.00 N ATOM 0 H ARG A 125 9.355 8.704 1.606 1.00 0.00 H new ATOM 0 HA ARG A 125 10.275 11.430 1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 125 8.902 9.893 -0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 125 7.553 10.187 0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 125 7.360 12.424 0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 125 9.036 12.550 -0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 125 8.548 11.935 -2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 125 7.672 10.517 -2.040 1.00 0.00 H new ATOM 0 HE ARG A 125 6.018 12.776 -1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 125 7.435 10.979 -4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 125 6.130 11.394 -5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.350 13.309 -2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 125 4.390 12.709 -4.650 1.00 0.00 H new ATOM 1045 N ARG A 126 7.502 11.397 2.814 1.00 0.00 N ATOM 1046 CA ARG A 126 6.834 12.041 3.937 1.00 0.00 C ATOM 1047 C ARG A 126 6.829 11.110 5.143 1.00 0.00 C ATOM 1048 O ARG A 126 7.312 9.981 5.064 1.00 0.00 O ATOM 1049 CB ARG A 126 5.400 12.438 3.568 1.00 0.00 C ATOM 1050 CG ARG A 126 5.127 13.927 3.725 1.00 0.00 C ATOM 1051 CD ARG A 126 3.643 14.220 3.880 1.00 0.00 C ATOM 1052 NE ARG A 126 2.943 14.243 2.599 1.00 0.00 N ATOM 1053 CZ ARG A 126 2.956 15.284 1.772 1.00 0.00 C ATOM 1054 NH1 ARG A 126 3.663 16.365 2.075 1.00 0.00 N ATOM 1055 NH2 ARG A 126 2.268 15.244 0.639 1.00 0.00 N ATOM 0 H ARG A 126 6.884 10.876 2.192 1.00 0.00 H new ATOM 0 HA ARG A 126 7.383 12.949 4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.204 12.147 2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 126 4.704 11.880 4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.664 14.304 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 126 5.513 14.460 2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 126 3.192 13.465 4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 126 3.515 15.181 4.378 1.00 0.00 H new ATOM 0 HE ARG A 126 2.415 13.415 2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 126 4.197 16.398 2.943 1.00 0.00 H new ATOM 0 HH12 ARG A 126 3.672 17.163 1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 126 1.727 14.413 0.400 1.00 0.00 H new ATOM 0 HH22 ARG A 126 2.280 16.044 0.007 1.00 0.00 H new ATOM 1069 N LYS A 127 6.284 11.580 6.258 1.00 0.00 N ATOM 1070 CA LYS A 127 6.231 10.772 7.470 1.00 0.00 C ATOM 1071 C LYS A 127 5.411 11.459 8.551 1.00 0.00 C ATOM 1072 O LYS A 127 5.346 12.686 8.616 1.00 0.00 O ATOM 1073 CB LYS A 127 7.649 10.508 7.989 1.00 0.00 C ATOM 1074 CG LYS A 127 8.004 9.033 8.110 1.00 0.00 C ATOM 1075 CD LYS A 127 7.358 8.393 9.330 1.00 0.00 C ATOM 1076 CE LYS A 127 7.814 6.952 9.512 1.00 0.00 C ATOM 1077 NZ LYS A 127 9.269 6.861 9.819 1.00 0.00 N ATOM 0 H LYS A 127 5.875 12.510 6.349 1.00 0.00 H new ATOM 0 HA LYS A 127 5.751 9.825 7.223 1.00 0.00 H new ATOM 0 HB2 LYS A 127 8.364 10.989 7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 127 7.760 10.978 8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 127 7.683 8.507 7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 127 9.087 8.924 8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.608 8.970 10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.273 8.422 9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 127 7.244 6.491 10.318 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.599 6.386 8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 9.495 5.901 10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.819 7.070 8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.511 7.549 10.561 1.00 0.00 H new ATOM 1091 N ARG A 128 4.774 10.657 9.391 1.00 0.00 N ATOM 1092 CA ARG A 128 3.986 11.184 10.488 1.00 0.00 C ATOM 1093 C ARG A 128 4.854 11.268 11.738 1.00 0.00 C ATOM 1094 O ARG A 128 6.046 10.966 11.693 1.00 0.00 O ATOM 1095 CB ARG A 128 2.761 10.303 10.743 1.00 0.00 C ATOM 1096 CG ARG A 128 3.100 8.871 11.126 1.00 0.00 C ATOM 1097 CD ARG A 128 1.842 8.061 11.393 1.00 0.00 C ATOM 1098 NE ARG A 128 2.064 7.017 12.392 1.00 0.00 N ATOM 1099 CZ ARG A 128 1.121 6.562 13.215 1.00 0.00 C ATOM 1100 NH1 ARG A 128 -0.122 7.025 13.140 1.00 0.00 N ATOM 1101 NH2 ARG A 128 1.420 5.635 14.114 1.00 0.00 N ATOM 0 H ARG A 128 4.789 9.639 9.331 1.00 0.00 H new ATOM 0 HA ARG A 128 3.633 12.182 10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.164 10.750 11.538 1.00 0.00 H new ATOM 0 HB3 ARG A 128 2.141 10.292 9.847 1.00 0.00 H new ATOM 0 HG2 ARG A 128 3.673 8.404 10.325 1.00 0.00 H new ATOM 0 HG3 ARG A 128 3.732 8.869 12.014 1.00 0.00 H new ATOM 0 HD2 ARG A 128 1.048 8.726 11.734 1.00 0.00 H new ATOM 0 HD3 ARG A 128 1.500 7.606 10.463 1.00 0.00 H new ATOM 0 HE ARG A 128 2.998 6.613 12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -0.361 7.735 12.448 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -0.837 6.670 13.775 1.00 0.00 H new ATOM 0 HH21 ARG A 128 2.371 5.271 14.175 1.00 0.00 H new ATOM 0 HH22 ARG A 128 0.699 5.285 14.745 1.00 0.00 H new ATOM 1115 N LYS A 129 4.262 11.685 12.844 1.00 0.00 N ATOM 1116 CA LYS A 129 4.996 11.798 14.106 1.00 0.00 C ATOM 1117 C LYS A 129 4.066 11.624 15.303 1.00 0.00 C ATOM 1118 O LYS A 129 4.470 11.104 16.343 1.00 0.00 O ATOM 1119 CB LYS A 129 5.726 13.141 14.197 1.00 0.00 C ATOM 1120 CG LYS A 129 4.798 14.342 14.253 1.00 0.00 C ATOM 1121 CD LYS A 129 5.496 15.556 14.849 1.00 0.00 C ATOM 1122 CE LYS A 129 5.305 15.631 16.357 1.00 0.00 C ATOM 1123 NZ LYS A 129 5.902 14.461 17.058 1.00 0.00 N ATOM 0 H LYS A 129 3.279 11.952 12.900 1.00 0.00 H new ATOM 0 HA LYS A 129 5.736 10.998 14.127 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.358 13.141 15.085 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.386 13.244 13.336 1.00 0.00 H new ATOM 0 HG2 LYS A 129 4.446 14.579 13.249 1.00 0.00 H new ATOM 0 HG3 LYS A 129 3.919 14.097 14.849 1.00 0.00 H new ATOM 0 HD2 LYS A 129 6.561 15.513 14.619 1.00 0.00 H new ATOM 0 HD3 LYS A 129 5.106 16.463 14.387 1.00 0.00 H new ATOM 0 HE2 LYS A 129 5.758 16.548 16.734 1.00 0.00 H new ATOM 0 HE3 LYS A 129 4.240 15.684 16.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 5.915 14.640 18.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 5.334 13.612 16.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 6.874 14.313 16.720 1.00 0.00 H new ATOM 1137 N GLY A 130 2.831 12.090 15.162 1.00 0.00 N ATOM 1138 CA GLY A 130 1.854 11.958 16.220 1.00 0.00 C ATOM 1139 C GLY A 130 0.454 12.228 15.716 1.00 0.00 C ATOM 1140 O GLY A 130 0.112 11.856 14.593 1.00 0.00 O ATOM 0 H GLY A 130 2.489 12.561 14.324 1.00 0.00 H new ATOM 0 HA2 GLY A 130 1.904 10.953 16.640 1.00 0.00 H new ATOM 0 HA3 GLY A 130 2.092 12.652 17.026 1.00 0.00 H new ATOM 1144 N SER A 131 -0.356 12.880 16.537 1.00 0.00 N ATOM 1145 CA SER A 131 -1.721 13.209 16.152 1.00 0.00 C ATOM 1146 C SER A 131 -2.509 11.947 15.805 1.00 0.00 C ATOM 1147 O SER A 131 -2.559 11.591 14.609 1.00 0.00 O ATOM 1148 CB SER A 131 -1.705 14.163 14.955 1.00 0.00 C ATOM 1149 OG SER A 131 -2.759 15.105 15.039 1.00 0.00 O ATOM 1150 OXT SER A 131 -3.068 11.327 16.734 1.00 0.00 O ATOM 0 H SER A 131 -0.093 13.191 17.472 1.00 0.00 H new ATOM 0 HA SER A 131 -2.211 13.695 16.996 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.749 14.685 14.915 1.00 0.00 H new ATOM 0 HB3 SER A 131 -1.796 13.593 14.030 1.00 0.00 H new ATOM 0 HG SER A 131 -2.725 15.703 14.264 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.452 -5.240 1.988 1.00 0.00 ZN