USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 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 NoAdj-H: A 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 117 ASN : amide:sc= -0.0585 K(o=1.2,f=0.31) USER MOD Set 1.2: A 121 SER OG : rot -94:sc= 1.29 USER MOD Set 2.1: A 116 LYS NZ :NH3+ 165:sc= -0.946 (180deg=-1.23) USER MOD Set 2.2: A 120 GLN : amide:sc= -0.419 K(o=-1.4,f=-2.8!) USER MOD Set 3.1: A 92 SER OG : rot 160:sc= -0.0697! USER MOD Set 3.2: A 96 LYS NZ :NH3+ 136:sc= -0.794 (180deg=-1.32) USER MOD Single : A 61 SER OG : rot 35:sc= 0.00504 USER MOD Single : A 62 ASN : amide:sc= -0.796 K(o=-0.8,f=-2.8!) USER MOD Single : A 65 GLN : amide:sc= -0.358 K(o=-0.36,f=-2.5!) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0267 USER MOD Single : A 82 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.28) 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+ -155:sc= -0.107 (180deg=-0.569) USER MOD Single : A 90 GLN : amide:sc= -0.325 K(o=-0.32,f=-1.6!) USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.382) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0715 K(o=-0.071,f=-0.98) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= -0.136 (180deg=-0.499) USER MOD Single : A 104 LYS NZ :NH3+ -155:sc= -0.243 (180deg=-1.14) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.82 K(o=-0.82,f=-3.4!) 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 124 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 127 LYS NZ :NH3+ -146:sc= -0.332 (180deg=-0.652) USER MOD Single : A 129 LYS NZ :NH3+ 138:sc= -0.164 (180deg=-0.688) USER MOD Single : A 131 SER OG : rot -62:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -16.239 -5.911 16.089 1.00 0.00 N ATOM 2 CA SER A 61 -15.585 -6.025 14.767 1.00 0.00 C ATOM 3 C SER A 61 -15.889 -4.806 13.877 1.00 0.00 C ATOM 4 O SER A 61 -15.653 -3.673 14.295 1.00 0.00 O ATOM 5 CB SER A 61 -15.977 -7.346 14.093 1.00 0.00 C ATOM 6 OG SER A 61 -15.431 -8.450 14.792 1.00 0.00 O ATOM 0 HA SER A 61 -14.505 -6.034 14.916 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.063 -7.433 14.058 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.624 -7.352 13.062 1.00 0.00 H new ATOM 0 HG SER A 61 -15.427 -8.259 15.753 1.00 0.00 H new ATOM 14 N ASN A 62 -16.425 -5.017 12.667 1.00 0.00 N ATOM 15 CA ASN A 62 -16.674 -3.911 11.746 1.00 0.00 C ATOM 16 C ASN A 62 -15.402 -3.085 11.568 1.00 0.00 C ATOM 17 O ASN A 62 -15.453 -1.892 11.271 1.00 0.00 O ATOM 18 CB ASN A 62 -17.823 -3.022 12.218 1.00 0.00 C ATOM 19 CG ASN A 62 -18.208 -1.999 11.162 1.00 0.00 C ATOM 20 OD1 ASN A 62 -17.760 -2.077 10.016 1.00 0.00 O ATOM 21 ND2 ASN A 62 -19.047 -1.041 11.537 1.00 0.00 N ATOM 0 H ASN A 62 -16.690 -5.935 12.310 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.967 -4.337 10.787 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.688 -3.641 12.459 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.534 -2.508 13.135 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.345 -0.333 10.866 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.394 -1.013 12.496 1.00 0.00 H new ATOM 28 N ALA A 63 -14.263 -3.738 11.780 1.00 0.00 N ATOM 29 CA ALA A 63 -12.960 -3.109 11.621 1.00 0.00 C ATOM 30 C ALA A 63 -11.914 -4.112 11.115 1.00 0.00 C ATOM 31 O ALA A 63 -10.750 -3.756 10.931 1.00 0.00 O ATOM 32 CB ALA A 63 -12.505 -2.493 12.937 1.00 0.00 C ATOM 0 H ALA A 63 -14.219 -4.716 12.066 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.059 -2.320 10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.529 -2.026 12.802 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.226 -1.740 13.255 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.433 -3.271 13.697 1.00 0.00 H new ATOM 38 N GLY A 64 -12.329 -5.362 10.877 1.00 0.00 N ATOM 39 CA GLY A 64 -11.408 -6.371 10.405 1.00 0.00 C ATOM 40 C GLY A 64 -11.459 -6.514 8.903 1.00 0.00 C ATOM 41 O GLY A 64 -11.890 -7.542 8.379 1.00 0.00 O ATOM 0 H GLY A 64 -13.288 -5.685 11.005 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.395 -6.111 10.712 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.646 -7.328 10.870 1.00 0.00 H new ATOM 45 N GLN A 65 -11.029 -5.469 8.211 1.00 0.00 N ATOM 46 CA GLN A 65 -11.022 -5.464 6.758 1.00 0.00 C ATOM 47 C GLN A 65 -9.773 -6.146 6.230 1.00 0.00 C ATOM 48 O GLN A 65 -8.980 -6.692 6.997 1.00 0.00 O ATOM 49 CB GLN A 65 -11.090 -4.029 6.240 1.00 0.00 C ATOM 50 CG GLN A 65 -12.096 -3.168 6.985 1.00 0.00 C ATOM 51 CD GLN A 65 -11.448 -1.988 7.683 1.00 0.00 C ATOM 52 OE1 GLN A 65 -10.272 -2.033 8.041 1.00 0.00 O ATOM 53 NE2 GLN A 65 -12.219 -0.927 7.888 1.00 0.00 N ATOM 0 H GLN A 65 -10.679 -4.610 8.636 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.895 -6.013 6.405 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.103 -3.574 6.320 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.349 -4.044 5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.847 -2.803 6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.618 -3.779 7.721 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.189 -0.933 7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.841 -0.105 8.359 1.00 0.00 H new ATOM 62 N LEU A 66 -9.597 -6.111 4.917 1.00 0.00 N ATOM 63 CA LEU A 66 -8.435 -6.724 4.304 1.00 0.00 C ATOM 64 C LEU A 66 -7.861 -5.867 3.187 1.00 0.00 C ATOM 65 O LEU A 66 -8.593 -5.285 2.387 1.00 0.00 O ATOM 66 CB LEU A 66 -8.762 -8.112 3.806 1.00 0.00 C ATOM 67 CG LEU A 66 -8.064 -9.189 4.616 1.00 0.00 C ATOM 68 CD1 LEU A 66 -8.633 -9.272 6.019 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.164 -10.511 3.941 1.00 0.00 C ATOM 0 H LEU A 66 -10.241 -5.667 4.262 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.667 -6.805 5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.840 -8.268 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.470 -8.199 2.760 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.011 -8.916 4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.114 -10.052 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.499 -8.315 6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.696 -9.509 5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.656 -11.266 4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.213 -10.783 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.696 -10.454 2.958 1.00 0.00 H new ATOM 81 N CYS A 67 -6.536 -5.800 3.157 1.00 0.00 N ATOM 82 CA CYS A 67 -5.807 -5.023 2.160 1.00 0.00 C ATOM 83 C CYS A 67 -6.392 -5.221 0.761 1.00 0.00 C ATOM 84 O CYS A 67 -6.876 -6.303 0.430 1.00 0.00 O ATOM 85 CB CYS A 67 -4.335 -5.439 2.185 1.00 0.00 C ATOM 86 SG CYS A 67 -3.249 -4.420 1.164 1.00 0.00 S ATOM 0 H CYS A 67 -5.935 -6.283 3.824 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.898 -3.965 2.404 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.979 -5.407 3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.258 -6.474 1.853 1.00 0.00 H new ATOM 91 N CYS A 68 -6.345 -4.167 -0.056 1.00 0.00 N ATOM 92 CA CYS A 68 -6.870 -4.234 -1.418 1.00 0.00 C ATOM 93 C CYS A 68 -5.742 -4.270 -2.449 1.00 0.00 C ATOM 94 O CYS A 68 -5.951 -3.953 -3.619 1.00 0.00 O ATOM 95 CB CYS A 68 -7.794 -3.046 -1.701 1.00 0.00 C ATOM 96 SG CYS A 68 -6.936 -1.465 -1.872 1.00 0.00 S ATOM 0 H CYS A 68 -5.951 -3.262 0.201 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.442 -5.158 -1.502 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.353 -3.244 -2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.522 -2.966 -0.894 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.802 -0.525 -2.112 1.00 0.00 H new ATOM 102 N LEU A 69 -4.551 -4.656 -2.006 1.00 0.00 N ATOM 103 CA LEU A 69 -3.400 -4.757 -2.893 1.00 0.00 C ATOM 104 C LEU A 69 -3.098 -6.223 -3.168 1.00 0.00 C ATOM 105 O LEU A 69 -3.565 -7.105 -2.447 1.00 0.00 O ATOM 106 CB LEU A 69 -2.173 -4.077 -2.280 1.00 0.00 C ATOM 107 CG LEU A 69 -2.310 -2.571 -2.053 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.048 -2.013 -1.410 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.601 -1.857 -3.365 1.00 0.00 C ATOM 0 H LEU A 69 -4.358 -4.904 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.637 -4.249 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.952 -4.554 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.316 -4.254 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.147 -2.399 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.162 -0.940 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.882 -2.502 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.195 -2.197 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.695 -0.786 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.785 -2.036 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.531 -2.237 -3.787 1.00 0.00 H new ATOM 121 N ARG A 70 -2.318 -6.480 -4.207 1.00 0.00 N ATOM 122 CA ARG A 70 -1.969 -7.845 -4.572 1.00 0.00 C ATOM 123 C ARG A 70 -0.461 -8.010 -4.715 1.00 0.00 C ATOM 124 O ARG A 70 0.169 -7.341 -5.533 1.00 0.00 O ATOM 125 CB ARG A 70 -2.651 -8.226 -5.887 1.00 0.00 C ATOM 126 CG ARG A 70 -4.167 -8.126 -5.849 1.00 0.00 C ATOM 127 CD ARG A 70 -4.750 -8.098 -7.254 1.00 0.00 C ATOM 128 NE ARG A 70 -6.183 -8.390 -7.265 1.00 0.00 N ATOM 129 CZ ARG A 70 -6.704 -9.602 -7.458 1.00 0.00 C ATOM 130 NH1 ARG A 70 -5.918 -10.659 -7.632 1.00 0.00 N ATOM 131 NH2 ARG A 70 -8.020 -9.760 -7.469 1.00 0.00 N ATOM 0 H ARG A 70 -1.915 -5.763 -4.811 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.314 -8.503 -3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.274 -7.580 -6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.371 -9.247 -6.147 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.577 -8.973 -5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.462 -7.225 -5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.578 -7.117 -7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.228 -8.825 -7.876 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.828 -7.614 -7.115 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.904 -10.548 -7.619 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.328 -11.581 -7.779 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.631 -8.955 -7.330 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.421 -10.686 -7.616 1.00 0.00 H new ATOM 145 N GLU A 71 0.114 -8.899 -3.914 1.00 0.00 N ATOM 146 CA GLU A 71 1.547 -9.158 -3.977 1.00 0.00 C ATOM 147 C GLU A 71 1.810 -10.473 -4.702 1.00 0.00 C ATOM 148 O GLU A 71 1.384 -11.538 -4.251 1.00 0.00 O ATOM 149 CB GLU A 71 2.159 -9.202 -2.577 1.00 0.00 C ATOM 150 CG GLU A 71 3.661 -9.433 -2.588 1.00 0.00 C ATOM 151 CD GLU A 71 4.226 -9.687 -1.204 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.448 -10.076 -0.308 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.447 -9.503 -1.019 1.00 0.00 O ATOM 0 H GLU A 71 -0.387 -9.450 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 71 2.015 -8.343 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.946 -8.264 -2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.680 -9.995 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.889 -10.284 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.155 -8.564 -3.023 1.00 0.00 H new ATOM 160 N ASP A 72 2.508 -10.392 -5.831 1.00 0.00 N ATOM 161 CA ASP A 72 2.818 -11.573 -6.628 1.00 0.00 C ATOM 162 C ASP A 72 1.545 -12.327 -6.995 1.00 0.00 C ATOM 163 O ASP A 72 1.520 -13.558 -7.008 1.00 0.00 O ATOM 164 CB ASP A 72 3.780 -12.494 -5.877 1.00 0.00 C ATOM 165 CG ASP A 72 5.222 -12.043 -6.001 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.636 -11.157 -5.224 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.938 -12.574 -6.877 1.00 0.00 O ATOM 0 H ASP A 72 2.870 -9.519 -6.214 1.00 0.00 H new ATOM 0 HA ASP A 72 3.301 -11.242 -7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.501 -12.526 -4.824 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.684 -13.509 -6.263 1.00 0.00 H new ATOM 172 N GLY A 73 0.487 -11.577 -7.289 1.00 0.00 N ATOM 173 CA GLY A 73 -0.778 -12.186 -7.660 1.00 0.00 C ATOM 174 C GLY A 73 -1.579 -12.678 -6.466 1.00 0.00 C ATOM 175 O GLY A 73 -2.728 -13.093 -6.620 1.00 0.00 O ATOM 0 H GLY A 73 0.483 -10.557 -7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.374 -11.461 -8.215 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.588 -13.023 -8.331 1.00 0.00 H new ATOM 179 N GLU A 74 -0.985 -12.629 -5.276 1.00 0.00 N ATOM 180 CA GLU A 74 -1.664 -13.083 -4.066 1.00 0.00 C ATOM 181 C GLU A 74 -2.359 -11.923 -3.358 1.00 0.00 C ATOM 182 O GLU A 74 -1.739 -10.900 -3.061 1.00 0.00 O ATOM 183 CB GLU A 74 -0.671 -13.768 -3.128 1.00 0.00 C ATOM 184 CG GLU A 74 -0.297 -15.175 -3.570 1.00 0.00 C ATOM 185 CD GLU A 74 -1.494 -16.104 -3.621 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.221 -16.188 -2.609 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.704 -16.750 -4.670 1.00 0.00 O ATOM 0 H GLU A 74 -0.038 -12.281 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.428 -13.805 -4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.233 -13.163 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.099 -13.811 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.168 -15.132 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.446 -15.582 -2.885 1.00 0.00 H new ATOM 194 N ARG A 75 -3.651 -12.102 -3.082 1.00 0.00 N ATOM 195 CA ARG A 75 -4.463 -11.074 -2.430 1.00 0.00 C ATOM 196 C ARG A 75 -4.010 -10.794 -0.997 1.00 0.00 C ATOM 197 O ARG A 75 -4.747 -11.049 -0.044 1.00 0.00 O ATOM 198 CB ARG A 75 -5.932 -11.493 -2.426 1.00 0.00 C ATOM 199 CG ARG A 75 -6.891 -10.350 -2.136 1.00 0.00 C ATOM 200 CD ARG A 75 -7.186 -9.545 -3.391 1.00 0.00 C ATOM 201 NE ARG A 75 -7.850 -10.356 -4.411 1.00 0.00 N ATOM 202 CZ ARG A 75 -9.172 -10.482 -4.532 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.992 -9.855 -3.696 1.00 0.00 N ATOM 204 NH2 ARG A 75 -9.676 -11.246 -5.491 1.00 0.00 N ATOM 0 H ARG A 75 -4.161 -12.957 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.335 -10.155 -3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.180 -11.927 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.076 -12.275 -1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.821 -10.747 -1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.463 -9.697 -1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.816 -8.693 -3.137 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.256 -9.145 -3.793 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.262 -10.860 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.612 -9.270 -2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.002 -9.959 -3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.053 -11.735 -6.134 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.687 -11.345 -5.586 1.00 0.00 H new ATOM 218 N CYS A 76 -2.796 -10.271 -0.859 1.00 0.00 N ATOM 219 CA CYS A 76 -2.226 -9.917 0.443 1.00 0.00 C ATOM 220 C CYS A 76 -2.621 -10.911 1.554 1.00 0.00 C ATOM 221 O CYS A 76 -1.946 -11.923 1.745 1.00 0.00 O ATOM 222 CB CYS A 76 -2.625 -8.474 0.794 1.00 0.00 C ATOM 223 SG CYS A 76 -1.660 -7.726 2.127 1.00 0.00 S ATOM 0 H CYS A 76 -2.176 -10.079 -1.646 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.140 -9.980 0.371 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.525 -7.857 -0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.678 -8.461 1.075 1.00 0.00 H new ATOM 228 N GLY A 77 -3.709 -10.641 2.277 1.00 0.00 N ATOM 229 CA GLY A 77 -4.124 -11.537 3.344 1.00 0.00 C ATOM 230 C GLY A 77 -4.180 -10.847 4.694 1.00 0.00 C ATOM 231 O GLY A 77 -5.021 -11.176 5.534 1.00 0.00 O ATOM 0 H GLY A 77 -4.305 -9.824 2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.106 -11.947 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.432 -12.378 3.398 1.00 0.00 H new ATOM 235 N ARG A 78 -3.277 -9.895 4.911 1.00 0.00 N ATOM 236 CA ARG A 78 -3.243 -9.152 6.164 1.00 0.00 C ATOM 237 C ARG A 78 -4.401 -8.165 6.203 1.00 0.00 C ATOM 238 O ARG A 78 -4.866 -7.706 5.160 1.00 0.00 O ATOM 239 CB ARG A 78 -1.909 -8.419 6.320 1.00 0.00 C ATOM 240 CG ARG A 78 -1.613 -7.987 7.747 1.00 0.00 C ATOM 241 CD ARG A 78 -0.248 -7.329 7.857 1.00 0.00 C ATOM 242 NE ARG A 78 0.096 -7.008 9.240 1.00 0.00 N ATOM 243 CZ ARG A 78 1.344 -6.854 9.674 1.00 0.00 C ATOM 244 NH1 ARG A 78 2.364 -6.978 8.835 1.00 0.00 N ATOM 245 NH2 ARG A 78 1.574 -6.572 10.949 1.00 0.00 N ATOM 0 H ARG A 78 -2.562 -9.621 4.237 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.342 -9.852 6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.105 -9.068 5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.910 -7.539 5.676 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.382 -7.292 8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.655 -8.854 8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.509 -7.993 7.440 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.236 -6.417 7.260 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.664 -6.896 9.911 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.193 -7.192 7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.319 -6.859 9.172 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.794 -6.473 11.598 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.531 -6.454 11.281 1.00 0.00 H new ATOM 259 N ALA A 79 -4.869 -7.835 7.395 1.00 0.00 N ATOM 260 CA ALA A 79 -5.990 -6.920 7.526 1.00 0.00 C ATOM 261 C ALA A 79 -5.582 -5.478 7.211 1.00 0.00 C ATOM 262 O ALA A 79 -4.400 -5.131 7.251 1.00 0.00 O ATOM 263 CB ALA A 79 -6.589 -7.023 8.917 1.00 0.00 C ATOM 0 H ALA A 79 -4.495 -8.183 8.278 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.747 -7.207 6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.428 -6.333 9.004 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.937 -8.041 9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.832 -6.769 9.659 1.00 0.00 H new ATOM 269 N ALA A 80 -6.575 -4.645 6.900 1.00 0.00 N ATOM 270 CA ALA A 80 -6.334 -3.241 6.567 1.00 0.00 C ATOM 271 C ALA A 80 -5.924 -2.435 7.795 1.00 0.00 C ATOM 272 O ALA A 80 -6.082 -2.889 8.928 1.00 0.00 O ATOM 273 CB ALA A 80 -7.572 -2.634 5.924 1.00 0.00 C ATOM 0 H ALA A 80 -7.557 -4.919 6.872 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.508 -3.204 5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.380 -1.589 5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.814 -3.180 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.410 -2.697 6.618 1.00 0.00 H new ATOM 279 N GLY A 81 -5.412 -1.227 7.562 1.00 0.00 N ATOM 280 CA GLY A 81 -4.973 -0.389 8.662 1.00 0.00 C ATOM 281 C GLY A 81 -5.658 0.967 8.708 1.00 0.00 C ATOM 282 O GLY A 81 -6.886 1.056 8.713 1.00 0.00 O ATOM 0 H GLY A 81 -5.295 -0.817 6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.157 -0.911 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.896 -0.240 8.586 1.00 0.00 H new ATOM 286 N ASN A 82 -4.851 2.025 8.736 1.00 0.00 N ATOM 287 CA ASN A 82 -5.364 3.388 8.818 1.00 0.00 C ATOM 288 C ASN A 82 -5.007 4.228 7.589 1.00 0.00 C ATOM 289 O ASN A 82 -5.447 5.371 7.470 1.00 0.00 O ATOM 290 CB ASN A 82 -4.801 4.056 10.072 1.00 0.00 C ATOM 291 CG ASN A 82 -3.325 3.760 10.266 1.00 0.00 C ATOM 292 OD1 ASN A 82 -2.957 2.731 10.835 1.00 0.00 O ATOM 293 ND2 ASN A 82 -2.469 4.659 9.795 1.00 0.00 N ATOM 0 H ASN A 82 -3.833 1.962 8.703 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.452 3.329 8.862 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.948 5.134 10.004 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.356 3.713 10.945 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.465 4.510 9.898 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.815 5.498 9.330 1.00 0.00 H new ATOM 300 N ALA A 83 -4.216 3.669 6.681 1.00 0.00 N ATOM 301 CA ALA A 83 -3.812 4.398 5.484 1.00 0.00 C ATOM 302 C ALA A 83 -4.727 4.097 4.303 1.00 0.00 C ATOM 303 O ALA A 83 -5.537 3.171 4.346 1.00 0.00 O ATOM 304 CB ALA A 83 -2.370 4.071 5.131 1.00 0.00 C ATOM 0 H ALA A 83 -3.844 2.722 6.749 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.895 5.463 5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.081 4.621 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.719 4.356 5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.274 3.001 4.946 1.00 0.00 H new ATOM 310 N SER A 84 -4.586 4.893 3.250 1.00 0.00 N ATOM 311 CA SER A 84 -5.385 4.724 2.045 1.00 0.00 C ATOM 312 C SER A 84 -4.490 4.744 0.811 1.00 0.00 C ATOM 313 O SER A 84 -3.303 5.055 0.899 1.00 0.00 O ATOM 314 CB SER A 84 -6.428 5.838 1.936 1.00 0.00 C ATOM 315 OG SER A 84 -6.886 6.238 3.215 1.00 0.00 O ATOM 0 H SER A 84 -3.922 5.666 3.208 1.00 0.00 H new ATOM 0 HA SER A 84 -5.895 3.762 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.997 6.694 1.417 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.271 5.493 1.336 1.00 0.00 H new ATOM 0 HG SER A 84 -7.550 6.952 3.116 1.00 0.00 H new ATOM 321 N PHE A 85 -5.064 4.407 -0.335 1.00 0.00 N ATOM 322 CA PHE A 85 -4.324 4.402 -1.589 1.00 0.00 C ATOM 323 C PHE A 85 -4.438 5.766 -2.259 1.00 0.00 C ATOM 324 O PHE A 85 -5.527 6.333 -2.340 1.00 0.00 O ATOM 325 CB PHE A 85 -4.866 3.309 -2.505 1.00 0.00 C ATOM 326 CG PHE A 85 -4.080 3.092 -3.766 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.829 2.492 -3.735 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.617 3.449 -4.991 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.136 2.247 -4.906 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.925 3.218 -6.160 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.689 2.612 -6.121 1.00 0.00 C ATOM 0 H PHE A 85 -6.043 4.133 -0.422 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.272 4.198 -1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.898 2.372 -1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.893 3.556 -2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.393 2.214 -2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.591 3.914 -5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.166 1.772 -4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.352 3.512 -7.107 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.151 2.422 -7.038 1.00 0.00 H new ATOM 341 N SER A 86 -3.314 6.290 -2.730 1.00 0.00 N ATOM 342 CA SER A 86 -3.301 7.598 -3.375 1.00 0.00 C ATOM 343 C SER A 86 -2.416 7.591 -4.617 1.00 0.00 C ATOM 344 O SER A 86 -2.115 6.538 -5.173 1.00 0.00 O ATOM 345 CB SER A 86 -2.796 8.654 -2.392 1.00 0.00 C ATOM 346 OG SER A 86 -1.401 8.520 -2.179 1.00 0.00 O ATOM 0 H SER A 86 -2.404 5.833 -2.679 1.00 0.00 H new ATOM 0 HA SER A 86 -4.320 7.836 -3.681 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.015 9.650 -2.777 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.324 8.556 -1.443 1.00 0.00 H new ATOM 0 HG SER A 86 -1.099 9.207 -1.548 1.00 0.00 H new ATOM 352 N LYS A 87 -2.067 8.786 -5.080 1.00 0.00 N ATOM 353 CA LYS A 87 -1.199 8.953 -6.243 1.00 0.00 C ATOM 354 C LYS A 87 0.279 8.775 -5.879 1.00 0.00 C ATOM 355 O LYS A 87 1.012 8.040 -6.539 1.00 0.00 O ATOM 356 CB LYS A 87 -1.432 10.328 -6.862 1.00 0.00 C ATOM 357 CG LYS A 87 -2.864 10.542 -7.324 1.00 0.00 C ATOM 358 CD LYS A 87 -3.087 9.977 -8.717 1.00 0.00 C ATOM 359 CE LYS A 87 -4.522 9.520 -8.915 1.00 0.00 C ATOM 360 NZ LYS A 87 -4.871 8.379 -8.023 1.00 0.00 N ATOM 0 H LYS A 87 -2.376 9.664 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.450 8.179 -6.968 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.174 11.096 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.760 10.456 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.549 10.066 -6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.094 11.608 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.841 10.735 -9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.412 9.137 -8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.198 10.353 -8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.669 9.226 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.648 7.833 -8.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.040 7.764 -7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.168 8.742 -7.095 1.00 0.00 H new ATOM 374 N ARG A 88 0.703 9.465 -4.819 1.00 0.00 N ATOM 375 CA ARG A 88 2.090 9.410 -4.357 1.00 0.00 C ATOM 376 C ARG A 88 2.544 7.967 -4.180 1.00 0.00 C ATOM 377 O ARG A 88 3.667 7.612 -4.540 1.00 0.00 O ATOM 378 CB ARG A 88 2.222 10.199 -3.039 1.00 0.00 C ATOM 379 CG ARG A 88 3.416 9.817 -2.168 1.00 0.00 C ATOM 380 CD ARG A 88 3.014 8.824 -1.087 1.00 0.00 C ATOM 381 NE ARG A 88 1.833 9.271 -0.345 1.00 0.00 N ATOM 382 CZ ARG A 88 1.873 9.961 0.798 1.00 0.00 C ATOM 383 NH1 ARG A 88 3.032 10.306 1.346 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.740 10.313 1.393 1.00 0.00 N ATOM 0 H ARG A 88 0.101 10.072 -4.262 1.00 0.00 H new ATOM 0 HA ARG A 88 2.736 9.866 -5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.290 11.261 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.310 10.060 -2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.199 9.384 -2.790 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.834 10.712 -1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.811 7.855 -1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.845 8.684 -0.396 1.00 0.00 H new ATOM 0 HE ARG A 88 0.916 9.039 -0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.908 10.044 0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.046 10.833 2.219 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.155 10.057 0.977 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.765 10.840 2.266 1.00 0.00 H new ATOM 398 N ILE A 89 1.673 7.141 -3.624 1.00 0.00 N ATOM 399 CA ILE A 89 1.994 5.742 -3.418 1.00 0.00 C ATOM 400 C ILE A 89 2.155 5.037 -4.760 1.00 0.00 C ATOM 401 O ILE A 89 3.097 4.276 -4.961 1.00 0.00 O ATOM 402 CB ILE A 89 0.915 5.039 -2.575 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.775 5.743 -1.224 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.261 3.570 -2.384 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.243 5.102 -0.306 1.00 0.00 C ATOM 0 H ILE A 89 0.742 7.415 -3.309 1.00 0.00 H new ATOM 0 HA ILE A 89 2.935 5.689 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.039 5.095 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.745 5.752 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.494 6.783 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.487 3.089 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.324 3.082 -3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.220 3.486 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.287 5.656 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.223 5.117 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.047 4.071 -0.105 1.00 0.00 H new ATOM 417 N GLN A 90 1.237 5.310 -5.684 1.00 0.00 N ATOM 418 CA GLN A 90 1.294 4.714 -7.014 1.00 0.00 C ATOM 419 C GLN A 90 2.640 5.012 -7.660 1.00 0.00 C ATOM 420 O GLN A 90 3.331 4.110 -8.134 1.00 0.00 O ATOM 421 CB GLN A 90 0.161 5.258 -7.888 1.00 0.00 C ATOM 422 CG GLN A 90 0.124 4.661 -9.287 1.00 0.00 C ATOM 423 CD GLN A 90 0.781 5.551 -10.324 1.00 0.00 C ATOM 424 OE1 GLN A 90 0.763 6.777 -10.209 1.00 0.00 O ATOM 425 NE2 GLN A 90 1.364 4.937 -11.347 1.00 0.00 N ATOM 0 H GLN A 90 0.447 5.938 -5.536 1.00 0.00 H new ATOM 0 HA GLN A 90 1.176 3.634 -6.920 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.791 5.063 -7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.264 6.340 -7.967 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.624 3.693 -9.277 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.912 4.482 -9.573 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.355 3.919 -11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.821 5.484 -12.077 1.00 0.00 H new ATOM 434 N LYS A 91 3.007 6.288 -7.663 1.00 0.00 N ATOM 435 CA LYS A 91 4.271 6.721 -8.231 1.00 0.00 C ATOM 436 C LYS A 91 5.424 6.094 -7.456 1.00 0.00 C ATOM 437 O LYS A 91 6.401 5.624 -8.041 1.00 0.00 O ATOM 438 CB LYS A 91 4.352 8.248 -8.193 1.00 0.00 C ATOM 439 CG LYS A 91 4.592 8.883 -9.555 1.00 0.00 C ATOM 440 CD LYS A 91 6.008 8.642 -10.053 1.00 0.00 C ATOM 441 CE LYS A 91 6.065 8.618 -11.573 1.00 0.00 C ATOM 442 NZ LYS A 91 5.258 9.714 -12.180 1.00 0.00 N ATOM 0 H LYS A 91 2.441 7.043 -7.275 1.00 0.00 H new ATOM 0 HA LYS A 91 4.340 6.397 -9.269 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.425 8.642 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.155 8.544 -7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.881 8.478 -10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.407 9.955 -9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.666 9.424 -9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.378 7.696 -9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.101 8.708 -11.898 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.700 7.656 -11.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.577 9.881 -13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.254 9.443 -12.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.379 10.584 -11.623 1.00 0.00 H new ATOM 456 N SER A 92 5.294 6.080 -6.131 1.00 0.00 N ATOM 457 CA SER A 92 6.308 5.490 -5.269 1.00 0.00 C ATOM 458 C SER A 92 6.526 4.029 -5.643 1.00 0.00 C ATOM 459 O SER A 92 7.632 3.504 -5.525 1.00 0.00 O ATOM 460 CB SER A 92 5.890 5.603 -3.801 1.00 0.00 C ATOM 461 OG SER A 92 6.775 4.884 -2.960 1.00 0.00 O ATOM 0 H SER A 92 4.494 6.472 -5.633 1.00 0.00 H new ATOM 0 HA SER A 92 7.243 6.033 -5.407 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.874 6.652 -3.504 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.876 5.221 -3.678 1.00 0.00 H new ATOM 0 HG SER A 92 6.696 5.216 -2.041 1.00 0.00 H new ATOM 467 N ILE A 93 5.456 3.376 -6.092 1.00 0.00 N ATOM 468 CA ILE A 93 5.527 1.981 -6.505 1.00 0.00 C ATOM 469 C ILE A 93 6.200 1.876 -7.871 1.00 0.00 C ATOM 470 O ILE A 93 7.087 1.047 -8.079 1.00 0.00 O ATOM 471 CB ILE A 93 4.119 1.336 -6.572 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.499 1.258 -5.177 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.181 -0.056 -7.192 1.00 0.00 C ATOM 474 CD1 ILE A 93 2.027 0.906 -5.191 1.00 0.00 C ATOM 0 H ILE A 93 4.529 3.794 -6.178 1.00 0.00 H new ATOM 0 HA ILE A 93 6.114 1.443 -5.760 1.00 0.00 H new ATOM 0 HB ILE A 93 3.494 1.966 -7.204 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.037 0.514 -4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.631 2.217 -4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.179 -0.484 -7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.580 0.014 -8.204 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.828 -0.694 -6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.652 0.868 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.477 1.663 -5.751 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.890 -0.066 -5.664 1.00 0.00 H new ATOM 486 N SER A 94 5.771 2.730 -8.797 1.00 0.00 N ATOM 487 CA SER A 94 6.320 2.744 -10.147 1.00 0.00 C ATOM 488 C SER A 94 7.838 2.884 -10.123 1.00 0.00 C ATOM 489 O SER A 94 8.543 2.165 -10.827 1.00 0.00 O ATOM 490 CB SER A 94 5.708 3.886 -10.957 1.00 0.00 C ATOM 491 OG SER A 94 6.382 4.051 -12.193 1.00 0.00 O ATOM 0 H SER A 94 5.041 3.424 -8.634 1.00 0.00 H new ATOM 0 HA SER A 94 6.070 1.794 -10.619 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.653 3.683 -11.139 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.760 4.812 -10.384 1.00 0.00 H new ATOM 0 HG SER A 94 5.971 4.786 -12.694 1.00 0.00 H new ATOM 497 N GLN A 95 8.337 3.818 -9.318 1.00 0.00 N ATOM 498 CA GLN A 95 9.775 4.034 -9.211 1.00 0.00 C ATOM 499 C GLN A 95 10.449 2.793 -8.634 1.00 0.00 C ATOM 500 O GLN A 95 11.619 2.523 -8.906 1.00 0.00 O ATOM 501 CB GLN A 95 10.077 5.252 -8.336 1.00 0.00 C ATOM 502 CG GLN A 95 11.522 5.717 -8.426 1.00 0.00 C ATOM 503 CD GLN A 95 11.776 6.609 -9.627 1.00 0.00 C ATOM 504 OE1 GLN A 95 10.927 7.415 -10.008 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.946 6.460 -10.238 1.00 0.00 N ATOM 0 H GLN A 95 7.770 4.433 -8.734 1.00 0.00 H new ATOM 0 HA GLN A 95 10.170 4.222 -10.209 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.421 6.072 -8.628 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.844 5.011 -7.299 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.783 6.257 -7.516 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.177 4.847 -8.480 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.621 5.780 -9.888 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.170 7.026 -11.057 1.00 0.00 H new ATOM 514 N LYS A 96 9.697 2.045 -7.831 1.00 0.00 N ATOM 515 CA LYS A 96 10.203 0.819 -7.224 1.00 0.00 C ATOM 516 C LYS A 96 10.147 -0.326 -8.221 1.00 0.00 C ATOM 517 O LYS A 96 11.086 -1.113 -8.336 1.00 0.00 O ATOM 518 CB LYS A 96 9.367 0.438 -6.001 1.00 0.00 C ATOM 519 CG LYS A 96 9.516 1.373 -4.818 1.00 0.00 C ATOM 520 CD LYS A 96 8.415 1.133 -3.799 1.00 0.00 C ATOM 521 CE LYS A 96 8.528 2.081 -2.620 1.00 0.00 C ATOM 522 NZ LYS A 96 8.870 3.463 -3.051 1.00 0.00 N ATOM 0 H LYS A 96 8.732 2.268 -7.586 1.00 0.00 H new ATOM 0 HA LYS A 96 11.235 0.999 -6.921 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.317 0.405 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.643 -0.569 -5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.489 1.223 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.482 2.407 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.443 1.259 -4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.465 0.103 -3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.585 2.094 -2.073 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.291 1.716 -1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.279 4.144 -2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.873 3.651 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.698 3.561 -4.072 1.00 0.00 H new ATOM 536 N LYS A 97 9.029 -0.405 -8.939 1.00 0.00 N ATOM 537 CA LYS A 97 8.811 -1.463 -9.913 1.00 0.00 C ATOM 538 C LYS A 97 8.584 -2.784 -9.188 1.00 0.00 C ATOM 539 O LYS A 97 9.517 -3.558 -8.970 1.00 0.00 O ATOM 540 CB LYS A 97 9.994 -1.572 -10.875 1.00 0.00 C ATOM 541 CG LYS A 97 10.341 -0.260 -11.560 1.00 0.00 C ATOM 542 CD LYS A 97 11.842 -0.100 -11.724 1.00 0.00 C ATOM 543 CE LYS A 97 12.192 0.735 -12.947 1.00 0.00 C ATOM 544 NZ LYS A 97 11.855 2.173 -12.762 1.00 0.00 N ATOM 0 H LYS A 97 8.257 0.258 -8.861 1.00 0.00 H new ATOM 0 HA LYS A 97 7.926 -1.222 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.866 -1.928 -10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.767 -2.320 -11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.860 -0.220 -12.538 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.947 0.572 -10.977 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.257 0.370 -10.832 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.305 -1.083 -11.811 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.257 0.638 -13.159 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.658 0.347 -13.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.111 2.703 -13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.835 2.271 -12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.384 2.552 -11.951 1.00 0.00 H new ATOM 558 N VAL A 98 7.336 -3.019 -8.797 1.00 0.00 N ATOM 559 CA VAL A 98 6.971 -4.232 -8.079 1.00 0.00 C ATOM 560 C VAL A 98 5.606 -4.743 -8.524 1.00 0.00 C ATOM 561 O VAL A 98 4.800 -3.989 -9.071 1.00 0.00 O ATOM 562 CB VAL A 98 6.946 -3.983 -6.559 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.348 -3.703 -6.041 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.009 -2.832 -6.225 1.00 0.00 C ATOM 0 H VAL A 98 6.558 -2.382 -8.967 1.00 0.00 H new ATOM 0 HA VAL A 98 7.725 -4.984 -8.309 1.00 0.00 H new ATOM 0 HB VAL A 98 6.574 -4.882 -6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.311 -3.530 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.990 -4.559 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.750 -2.819 -6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.003 -2.669 -5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.351 -1.927 -6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.001 -3.074 -6.561 1.00 0.00 H new ATOM 574 N LYS A 99 5.345 -6.023 -8.277 1.00 0.00 N ATOM 575 CA LYS A 99 4.076 -6.630 -8.663 1.00 0.00 C ATOM 576 C LYS A 99 2.971 -6.295 -7.665 1.00 0.00 C ATOM 577 O LYS A 99 2.319 -7.187 -7.124 1.00 0.00 O ATOM 578 CB LYS A 99 4.226 -8.147 -8.781 1.00 0.00 C ATOM 579 CG LYS A 99 5.341 -8.575 -9.719 1.00 0.00 C ATOM 580 CD LYS A 99 5.291 -10.066 -10.004 1.00 0.00 C ATOM 581 CE LYS A 99 6.409 -10.488 -10.942 1.00 0.00 C ATOM 582 NZ LYS A 99 6.500 -9.595 -12.132 1.00 0.00 N ATOM 0 H LYS A 99 5.994 -6.659 -7.812 1.00 0.00 H new ATOM 0 HA LYS A 99 3.795 -6.219 -9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.415 -8.563 -7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.285 -8.571 -9.131 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.262 -8.022 -10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.305 -8.320 -9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.370 -10.620 -9.069 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.328 -10.322 -10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.358 -10.476 -10.405 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.241 -11.514 -11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.087 -10.048 -12.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.547 -9.424 -12.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.930 -8.690 -11.855 1.00 0.00 H new ATOM 596 N ILE A 100 2.765 -5.005 -7.430 1.00 0.00 N ATOM 597 CA ILE A 100 1.733 -4.551 -6.511 1.00 0.00 C ATOM 598 C ILE A 100 0.722 -3.687 -7.253 1.00 0.00 C ATOM 599 O ILE A 100 0.989 -2.528 -7.565 1.00 0.00 O ATOM 600 CB ILE A 100 2.330 -3.752 -5.331 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.261 -4.643 -4.508 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.226 -3.179 -4.449 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.918 -3.923 -3.350 1.00 0.00 C ATOM 0 H ILE A 100 3.301 -4.254 -7.865 1.00 0.00 H new ATOM 0 HA ILE A 100 1.239 -5.434 -6.105 1.00 0.00 H new ATOM 0 HB ILE A 100 2.906 -2.920 -5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.694 -5.491 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.035 -5.047 -5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.671 -2.621 -3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.597 -2.514 -5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.620 -3.992 -4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.564 -4.615 -2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.513 -3.092 -3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.151 -3.542 -2.676 1.00 0.00 H new ATOM 615 N GLU A 101 -0.435 -4.264 -7.544 1.00 0.00 N ATOM 616 CA GLU A 101 -1.480 -3.545 -8.253 1.00 0.00 C ATOM 617 C GLU A 101 -2.736 -3.442 -7.405 1.00 0.00 C ATOM 618 O GLU A 101 -2.900 -4.163 -6.419 1.00 0.00 O ATOM 619 CB GLU A 101 -1.801 -4.236 -9.577 1.00 0.00 C ATOM 620 CG GLU A 101 -2.312 -5.658 -9.416 1.00 0.00 C ATOM 621 CD GLU A 101 -2.656 -6.304 -10.742 1.00 0.00 C ATOM 622 OE1 GLU A 101 -1.850 -6.183 -11.688 1.00 0.00 O ATOM 623 OE2 GLU A 101 -3.731 -6.933 -10.836 1.00 0.00 O ATOM 0 H GLU A 101 -0.672 -5.226 -7.300 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.116 -2.538 -8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.548 -3.649 -10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.904 -4.250 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.556 -6.257 -8.909 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.196 -5.653 -8.778 1.00 0.00 H new ATOM 630 N LEU A 102 -3.619 -2.541 -7.797 1.00 0.00 N ATOM 631 CA LEU A 102 -4.862 -2.333 -7.080 1.00 0.00 C ATOM 632 C LEU A 102 -5.980 -3.196 -7.658 1.00 0.00 C ATOM 633 O LEU A 102 -6.157 -3.280 -8.874 1.00 0.00 O ATOM 634 CB LEU A 102 -5.253 -0.857 -7.127 1.00 0.00 C ATOM 635 CG LEU A 102 -6.698 -0.569 -6.744 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.943 -0.831 -5.268 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.072 0.840 -7.097 1.00 0.00 C ATOM 0 H LEU A 102 -3.496 -1.940 -8.612 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.711 -2.628 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.596 -0.300 -6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.076 -0.480 -8.135 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.331 -1.249 -7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.984 -0.615 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.728 -1.876 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.293 -0.190 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.109 1.023 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.422 1.534 -6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.957 0.989 -8.171 1.00 0.00 H new ATOM 649 N ASP A 103 -6.752 -3.802 -6.769 1.00 0.00 N ATOM 650 CA ASP A 103 -7.868 -4.643 -7.175 1.00 0.00 C ATOM 651 C ASP A 103 -9.087 -3.763 -7.351 1.00 0.00 C ATOM 652 O ASP A 103 -9.496 -3.073 -6.420 1.00 0.00 O ATOM 653 CB ASP A 103 -8.159 -5.720 -6.129 1.00 0.00 C ATOM 654 CG ASP A 103 -9.199 -6.724 -6.606 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.602 -6.648 -7.787 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.612 -7.584 -5.799 1.00 0.00 O ATOM 0 H ASP A 103 -6.626 -3.727 -5.760 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.616 -5.145 -8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.236 -6.245 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.508 -5.247 -5.211 1.00 0.00 H new ATOM 661 N LYS A 104 -9.659 -3.772 -8.540 1.00 0.00 N ATOM 662 CA LYS A 104 -10.817 -2.940 -8.820 1.00 0.00 C ATOM 663 C LYS A 104 -12.114 -3.586 -8.336 1.00 0.00 C ATOM 664 O LYS A 104 -13.158 -2.935 -8.295 1.00 0.00 O ATOM 665 CB LYS A 104 -10.872 -2.632 -10.311 1.00 0.00 C ATOM 666 CG LYS A 104 -9.525 -2.180 -10.857 1.00 0.00 C ATOM 667 CD LYS A 104 -9.617 -0.839 -11.562 1.00 0.00 C ATOM 668 CE LYS A 104 -10.238 -0.980 -12.941 1.00 0.00 C ATOM 669 NZ LYS A 104 -9.665 -2.134 -13.689 1.00 0.00 N ATOM 0 H LYS A 104 -9.344 -4.342 -9.325 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.713 -2.006 -8.268 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.201 -3.520 -10.851 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.614 -1.855 -10.492 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.807 -2.111 -10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.146 -2.929 -11.552 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.212 -0.151 -10.962 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.621 -0.404 -11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.316 -1.109 -12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.077 -0.063 -13.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.766 -1.970 -14.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.657 -2.235 -13.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.171 -3.004 -13.426 1.00 0.00 H new ATOM 683 N SER A 105 -12.049 -4.863 -7.966 1.00 0.00 N ATOM 684 CA SER A 105 -13.224 -5.569 -7.466 1.00 0.00 C ATOM 685 C SER A 105 -13.421 -5.308 -5.971 1.00 0.00 C ATOM 686 O SER A 105 -14.312 -5.884 -5.345 1.00 0.00 O ATOM 687 CB SER A 105 -13.078 -7.073 -7.707 1.00 0.00 C ATOM 688 OG SER A 105 -12.589 -7.338 -9.009 1.00 0.00 O ATOM 0 H SER A 105 -11.200 -5.427 -8.003 1.00 0.00 H new ATOM 0 HA SER A 105 -14.096 -5.198 -8.005 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.400 -7.498 -6.967 1.00 0.00 H new ATOM 0 HB3 SER A 105 -14.043 -7.561 -7.572 1.00 0.00 H new ATOM 0 HG SER A 105 -12.504 -8.306 -9.136 1.00 0.00 H new ATOM 694 N ALA A 106 -12.590 -4.433 -5.400 1.00 0.00 N ATOM 695 CA ALA A 106 -12.664 -4.117 -3.983 1.00 0.00 C ATOM 696 C ALA A 106 -13.923 -3.334 -3.636 1.00 0.00 C ATOM 697 O ALA A 106 -14.729 -3.000 -4.504 1.00 0.00 O ATOM 698 CB ALA A 106 -11.428 -3.339 -3.556 1.00 0.00 C ATOM 0 H ALA A 106 -11.858 -3.933 -5.904 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.706 -5.060 -3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.493 -3.107 -2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.538 -3.940 -3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.366 -2.412 -4.126 1.00 0.00 H new ATOM 704 N ARG A 107 -14.068 -3.043 -2.352 1.00 0.00 N ATOM 705 CA ARG A 107 -15.217 -2.303 -1.845 1.00 0.00 C ATOM 706 C ARG A 107 -14.781 -1.029 -1.120 1.00 0.00 C ATOM 707 O ARG A 107 -15.616 -0.214 -0.726 1.00 0.00 O ATOM 708 CB ARG A 107 -16.052 -3.186 -0.907 1.00 0.00 C ATOM 709 CG ARG A 107 -15.231 -4.012 0.079 1.00 0.00 C ATOM 710 CD ARG A 107 -15.787 -5.421 0.216 1.00 0.00 C ATOM 711 NE ARG A 107 -15.985 -6.063 -1.087 1.00 0.00 N ATOM 712 CZ ARG A 107 -15.184 -6.995 -1.613 1.00 0.00 C ATOM 713 NH1 ARG A 107 -14.088 -7.401 -0.979 1.00 0.00 N ATOM 714 NH2 ARG A 107 -15.481 -7.520 -2.794 1.00 0.00 N ATOM 0 H ARG A 107 -13.396 -3.311 -1.633 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.830 -2.014 -2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -16.739 -2.552 -0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.660 -3.861 -1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -14.195 -4.059 -0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -15.229 -3.523 1.053 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.105 -6.023 0.817 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -16.736 -5.386 0.751 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.797 -5.776 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -13.845 -7.000 -0.073 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -13.491 -8.114 -1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.315 -7.212 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -14.875 -8.232 -3.203 1.00 0.00 H new ATOM 728 N HIS A 108 -13.472 -0.856 -0.956 1.00 0.00 N ATOM 729 CA HIS A 108 -12.935 0.310 -0.278 1.00 0.00 C ATOM 730 C HIS A 108 -11.513 0.590 -0.753 1.00 0.00 C ATOM 731 O HIS A 108 -11.033 -0.031 -1.703 1.00 0.00 O ATOM 732 CB HIS A 108 -12.940 0.078 1.236 1.00 0.00 C ATOM 733 CG HIS A 108 -12.104 -1.092 1.658 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.734 -1.099 1.566 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.450 -2.298 2.170 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.265 -2.256 2.000 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.287 -3.002 2.373 1.00 0.00 N ATOM 0 H HIS A 108 -12.765 -1.513 -1.286 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.560 1.172 -0.513 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.575 0.976 1.736 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.966 -0.078 1.570 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.452 -2.642 2.379 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.224 -2.541 2.042 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.224 -3.947 2.751 1.00 0.00 H new ATOM 746 N LEU A 109 -10.851 1.531 -0.096 1.00 0.00 N ATOM 747 CA LEU A 109 -9.477 1.877 -0.432 1.00 0.00 C ATOM 748 C LEU A 109 -8.654 2.023 0.839 1.00 0.00 C ATOM 749 O LEU A 109 -8.408 3.130 1.317 1.00 0.00 O ATOM 750 CB LEU A 109 -9.420 3.162 -1.262 1.00 0.00 C ATOM 751 CG LEU A 109 -9.873 3.012 -2.716 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.719 4.328 -3.461 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.085 1.909 -3.410 1.00 0.00 C ATOM 0 H LEU A 109 -11.244 2.070 0.675 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.056 1.073 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.041 3.916 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.397 3.538 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.927 2.736 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.046 4.202 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.327 5.093 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.673 4.634 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.421 1.817 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.023 2.155 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.246 0.965 -2.890 1.00 0.00 H new ATOM 765 N TYR A 110 -8.230 0.886 1.374 1.00 0.00 N ATOM 766 CA TYR A 110 -7.448 0.845 2.597 1.00 0.00 C ATOM 767 C TYR A 110 -6.326 -0.168 2.449 1.00 0.00 C ATOM 768 O TYR A 110 -6.546 -1.286 1.985 1.00 0.00 O ATOM 769 CB TYR A 110 -8.327 0.466 3.795 1.00 0.00 C ATOM 770 CG TYR A 110 -9.212 1.585 4.299 1.00 0.00 C ATOM 771 CD1 TYR A 110 -10.391 1.916 3.642 1.00 0.00 C ATOM 772 CD2 TYR A 110 -8.871 2.306 5.437 1.00 0.00 C ATOM 773 CE1 TYR A 110 -11.205 2.933 4.106 1.00 0.00 C ATOM 774 CE2 TYR A 110 -9.679 3.324 5.907 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.845 3.634 5.238 1.00 0.00 C ATOM 776 OH TYR A 110 -11.653 4.646 5.704 1.00 0.00 O ATOM 0 H TYR A 110 -8.419 -0.032 0.971 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.031 1.836 2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -8.955 -0.380 3.516 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.685 0.132 4.610 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -10.676 1.370 2.755 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -7.959 2.067 5.963 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -12.119 3.177 3.584 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -9.399 3.874 6.793 1.00 0.00 H new ATOM 0 HH TYR A 110 -11.256 5.037 6.510 1.00 0.00 H new ATOM 786 N ILE A 111 -5.126 0.228 2.836 1.00 0.00 N ATOM 787 CA ILE A 111 -3.976 -0.650 2.736 1.00 0.00 C ATOM 788 C ILE A 111 -3.415 -0.975 4.111 1.00 0.00 C ATOM 789 O ILE A 111 -3.383 -0.122 4.998 1.00 0.00 O ATOM 790 CB ILE A 111 -2.868 -0.021 1.875 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.473 1.345 2.438 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.329 0.106 0.430 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.331 1.999 1.691 1.00 0.00 C ATOM 0 H ILE A 111 -4.924 1.150 3.222 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.317 -1.570 2.261 1.00 0.00 H new ATOM 0 HB ILE A 111 -1.993 -0.670 1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.340 2.005 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.193 1.230 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.534 0.553 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.567 -0.882 0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.216 0.738 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.105 2.964 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.450 1.359 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.615 2.146 0.649 1.00 0.00 H new ATOM 805 N CYS A 112 -2.981 -2.215 4.285 1.00 0.00 N ATOM 806 CA CYS A 112 -2.412 -2.650 5.551 1.00 0.00 C ATOM 807 C CYS A 112 -1.160 -1.845 5.876 1.00 0.00 C ATOM 808 O CYS A 112 -0.478 -1.352 4.978 1.00 0.00 O ATOM 809 CB CYS A 112 -2.081 -4.141 5.494 1.00 0.00 C ATOM 810 SG CYS A 112 -1.181 -4.638 4.008 1.00 0.00 S ATOM 0 H CYS A 112 -3.012 -2.937 3.565 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.146 -2.482 6.339 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.489 -4.405 6.370 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.008 -4.711 5.552 1.00 0.00 H new ATOM 815 N ASP A 113 -0.867 -1.708 7.163 1.00 0.00 N ATOM 816 CA ASP A 113 0.307 -0.964 7.599 1.00 0.00 C ATOM 817 C ASP A 113 1.564 -1.537 6.955 1.00 0.00 C ATOM 818 O ASP A 113 2.535 -0.821 6.709 1.00 0.00 O ATOM 819 CB ASP A 113 0.430 -1.016 9.123 1.00 0.00 C ATOM 820 CG ASP A 113 -0.895 -0.764 9.818 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.618 0.163 9.400 1.00 0.00 O ATOM 822 OD2 ASP A 113 -1.209 -1.500 10.779 1.00 0.00 O ATOM 0 H ASP A 113 -1.425 -2.101 7.921 1.00 0.00 H new ATOM 0 HA ASP A 113 0.195 0.075 7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.814 -1.992 9.421 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.157 -0.273 9.452 1.00 0.00 H new ATOM 827 N TYR A 114 1.527 -2.836 6.681 1.00 0.00 N ATOM 828 CA TYR A 114 2.650 -3.533 6.066 1.00 0.00 C ATOM 829 C TYR A 114 3.060 -2.875 4.751 1.00 0.00 C ATOM 830 O TYR A 114 4.187 -2.401 4.608 1.00 0.00 O ATOM 831 CB TYR A 114 2.280 -4.998 5.825 1.00 0.00 C ATOM 832 CG TYR A 114 3.387 -5.821 5.207 1.00 0.00 C ATOM 833 CD1 TYR A 114 3.518 -5.922 3.828 1.00 0.00 C ATOM 834 CD2 TYR A 114 4.297 -6.505 6.004 1.00 0.00 C ATOM 835 CE1 TYR A 114 4.524 -6.680 3.260 1.00 0.00 C ATOM 836 CE2 TYR A 114 5.307 -7.263 5.444 1.00 0.00 C ATOM 837 CZ TYR A 114 5.416 -7.349 4.072 1.00 0.00 C ATOM 838 OH TYR A 114 6.419 -8.104 3.511 1.00 0.00 O ATOM 0 H TYR A 114 0.723 -3.432 6.877 1.00 0.00 H new ATOM 0 HA TYR A 114 3.499 -3.478 6.748 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.993 -5.450 6.774 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.406 -5.039 5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 114 2.822 -5.399 3.189 1.00 0.00 H new ATOM 0 HD2 TYR A 114 4.213 -6.443 7.079 1.00 0.00 H new ATOM 0 HE1 TYR A 114 4.611 -6.748 2.186 1.00 0.00 H new ATOM 0 HE2 TYR A 114 6.008 -7.786 6.078 1.00 0.00 H new ATOM 0 HH TYR A 114 6.960 -8.508 4.221 1.00 0.00 H new ATOM 848 N HIS A 115 2.138 -2.848 3.794 1.00 0.00 N ATOM 849 CA HIS A 115 2.411 -2.259 2.487 1.00 0.00 C ATOM 850 C HIS A 115 2.626 -0.749 2.579 1.00 0.00 C ATOM 851 O HIS A 115 3.497 -0.201 1.905 1.00 0.00 O ATOM 852 CB HIS A 115 1.278 -2.578 1.510 1.00 0.00 C ATOM 853 CG HIS A 115 1.322 -3.984 0.988 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.177 -4.722 0.807 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.392 -4.732 0.622 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.571 -5.892 0.337 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.906 -5.945 0.208 1.00 0.00 N ATOM 0 H HIS A 115 1.197 -3.226 3.898 1.00 0.00 H new ATOM 0 HA HIS A 115 3.335 -2.701 2.115 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.322 -2.412 2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.326 -1.885 0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.429 -4.430 0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.097 -6.703 0.088 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.453 -6.736 -0.132 1.00 0.00 H new ATOM 865 N LYS A 116 1.836 -0.076 3.412 1.00 0.00 N ATOM 866 CA LYS A 116 1.968 1.370 3.572 1.00 0.00 C ATOM 867 C LYS A 116 3.396 1.737 3.958 1.00 0.00 C ATOM 868 O LYS A 116 4.031 2.575 3.317 1.00 0.00 O ATOM 869 CB LYS A 116 1.005 1.891 4.641 1.00 0.00 C ATOM 870 CG LYS A 116 0.985 3.409 4.743 1.00 0.00 C ATOM 871 CD LYS A 116 0.768 3.878 6.174 1.00 0.00 C ATOM 872 CE LYS A 116 1.980 3.587 7.048 1.00 0.00 C ATOM 873 NZ LYS A 116 3.241 4.090 6.436 1.00 0.00 N ATOM 0 H LYS A 116 1.105 -0.503 3.981 1.00 0.00 H new ATOM 0 HA LYS A 116 1.722 1.833 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.001 1.535 4.419 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.285 1.472 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.926 3.811 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.194 3.805 4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.563 4.949 6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.109 3.383 6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.842 4.049 8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.060 2.512 7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.993 4.106 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.521 3.464 5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.090 5.052 6.071 1.00 0.00 H new ATOM 887 N ASN A 117 3.890 1.100 5.013 1.00 0.00 N ATOM 888 CA ASN A 117 5.240 1.351 5.507 1.00 0.00 C ATOM 889 C ASN A 117 6.287 0.896 4.493 1.00 0.00 C ATOM 890 O ASN A 117 7.273 1.589 4.246 1.00 0.00 O ATOM 891 CB ASN A 117 5.450 0.612 6.830 1.00 0.00 C ATOM 892 CG ASN A 117 6.630 1.146 7.617 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.466 1.877 7.085 1.00 0.00 O ATOM 894 ND2 ASN A 117 6.709 0.774 8.890 1.00 0.00 N ATOM 0 H ASN A 117 3.373 0.401 5.546 1.00 0.00 H new ATOM 0 HA ASN A 117 5.355 2.424 5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.547 0.695 7.435 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.602 -0.448 6.629 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.485 1.096 9.468 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.993 0.167 9.289 1.00 0.00 H new ATOM 901 N LEU A 118 6.058 -0.273 3.914 1.00 0.00 N ATOM 902 CA LEU A 118 6.973 -0.850 2.935 1.00 0.00 C ATOM 903 C LEU A 118 7.199 0.087 1.747 1.00 0.00 C ATOM 904 O LEU A 118 8.312 0.196 1.235 1.00 0.00 O ATOM 905 CB LEU A 118 6.409 -2.188 2.442 1.00 0.00 C ATOM 906 CG LEU A 118 7.424 -3.154 1.823 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.810 -4.538 1.670 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.909 -2.640 0.477 1.00 0.00 C ATOM 0 H LEU A 118 5.238 -0.848 4.107 1.00 0.00 H new ATOM 0 HA LEU A 118 7.937 -1.004 3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.926 -2.688 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.634 -1.984 1.704 1.00 0.00 H new ATOM 0 HG LEU A 118 8.282 -3.222 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.542 -5.214 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.512 -4.914 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.935 -4.478 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.629 -3.343 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.062 -2.540 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.385 -1.668 0.609 1.00 0.00 H new ATOM 920 N ILE A 119 6.146 0.781 1.334 1.00 0.00 N ATOM 921 CA ILE A 119 6.221 1.672 0.178 1.00 0.00 C ATOM 922 C ILE A 119 6.632 3.099 0.535 1.00 0.00 C ATOM 923 O ILE A 119 7.417 3.720 -0.180 1.00 0.00 O ATOM 924 CB ILE A 119 4.866 1.713 -0.549 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.433 0.291 -0.898 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.947 2.578 -1.798 1.00 0.00 C ATOM 927 CD1 ILE A 119 3.003 0.189 -1.384 1.00 0.00 C ATOM 0 H ILE A 119 5.230 0.746 1.780 1.00 0.00 H new ATOM 0 HA ILE A 119 6.997 1.261 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 119 4.122 2.159 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.097 -0.102 -1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.554 -0.342 -0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.977 2.591 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.226 3.594 -1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.696 2.169 -2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.769 -0.851 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.328 0.551 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.880 0.794 -2.283 1.00 0.00 H new ATOM 939 N GLN A 120 6.105 3.615 1.637 1.00 0.00 N ATOM 940 CA GLN A 120 6.395 4.985 2.055 1.00 0.00 C ATOM 941 C GLN A 120 7.854 5.205 2.455 1.00 0.00 C ATOM 942 O GLN A 120 8.465 6.200 2.063 1.00 0.00 O ATOM 943 CB GLN A 120 5.511 5.380 3.238 1.00 0.00 C ATOM 944 CG GLN A 120 4.074 5.679 2.871 1.00 0.00 C ATOM 945 CD GLN A 120 3.404 6.586 3.886 1.00 0.00 C ATOM 946 OE1 GLN A 120 4.051 7.445 4.487 1.00 0.00 O ATOM 947 NE2 GLN A 120 2.107 6.395 4.089 1.00 0.00 N ATOM 0 H GLN A 120 5.475 3.108 2.259 1.00 0.00 H new ATOM 0 HA GLN A 120 6.189 5.607 1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.526 4.574 3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.941 6.258 3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.041 6.149 1.888 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.517 4.745 2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 120 1.610 5.672 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 120 1.606 6.972 4.765 1.00 0.00 H new ATOM 956 N SER A 121 8.415 4.270 3.212 1.00 0.00 N ATOM 957 CA SER A 121 9.780 4.423 3.729 1.00 0.00 C ATOM 958 C SER A 121 10.884 4.197 2.691 1.00 0.00 C ATOM 959 O SER A 121 12.058 4.122 3.052 1.00 0.00 O ATOM 960 CB SER A 121 9.996 3.495 4.924 1.00 0.00 C ATOM 961 OG SER A 121 9.775 2.144 4.570 1.00 0.00 O ATOM 0 H SER A 121 7.954 3.401 3.483 1.00 0.00 H new ATOM 0 HA SER A 121 9.863 5.467 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.012 3.613 5.300 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.322 3.777 5.733 1.00 0.00 H new ATOM 0 HG SER A 121 8.851 1.897 4.783 1.00 0.00 H new ATOM 967 N VAL A 122 10.532 4.092 1.417 1.00 0.00 N ATOM 968 CA VAL A 122 11.544 3.908 0.382 1.00 0.00 C ATOM 969 C VAL A 122 11.887 5.248 -0.268 1.00 0.00 C ATOM 970 O VAL A 122 11.025 5.902 -0.856 1.00 0.00 O ATOM 971 CB VAL A 122 11.090 2.897 -0.693 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.104 2.812 -1.826 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.871 1.526 -0.068 1.00 0.00 C ATOM 0 H VAL A 122 9.571 4.130 1.077 1.00 0.00 H new ATOM 0 HA VAL A 122 12.434 3.502 0.863 1.00 0.00 H new ATOM 0 HB VAL A 122 10.146 3.246 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.760 2.093 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.212 3.792 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 122 13.067 2.491 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.551 0.823 -0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.802 1.177 0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.103 1.596 0.702 1.00 0.00 H new ATOM 983 N ARG A 123 13.154 5.642 -0.173 1.00 0.00 N ATOM 984 CA ARG A 123 13.611 6.901 -0.727 1.00 0.00 C ATOM 985 C ARG A 123 12.768 8.074 -0.232 1.00 0.00 C ATOM 986 O ARG A 123 12.479 9.009 -0.978 1.00 0.00 O ATOM 987 CB ARG A 123 13.584 6.794 -2.238 1.00 0.00 C ATOM 988 CG ARG A 123 14.715 5.939 -2.778 1.00 0.00 C ATOM 989 CD ARG A 123 14.665 5.813 -4.293 1.00 0.00 C ATOM 990 NE ARG A 123 14.729 7.107 -4.967 1.00 0.00 N ATOM 991 CZ ARG A 123 15.864 7.727 -5.271 1.00 0.00 C ATOM 992 NH1 ARG A 123 17.027 7.210 -4.898 1.00 0.00 N ATOM 993 NH2 ARG A 123 15.837 8.873 -5.937 1.00 0.00 N ATOM 0 H ARG A 123 13.884 5.098 0.288 1.00 0.00 H new ATOM 0 HA ARG A 123 14.629 7.098 -0.392 1.00 0.00 H new ATOM 0 HB2 ARG A 123 12.630 6.371 -2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 123 13.648 7.792 -2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 123 15.670 6.373 -2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 123 14.664 4.946 -2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 123 15.494 5.191 -4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 123 13.746 5.303 -4.581 1.00 0.00 H new ATOM 0 HE ARG A 123 13.851 7.561 -5.219 1.00 0.00 H new ATOM 0 HH11 ARG A 123 17.052 6.334 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 123 17.897 7.688 -5.133 1.00 0.00 H new ATOM 0 HH21 ARG A 123 14.944 9.280 -6.216 1.00 0.00 H new ATOM 0 HH22 ARG A 123 16.709 9.348 -6.170 1.00 0.00 H new ATOM 1007 N ASN A 124 12.376 8.009 1.038 1.00 0.00 N ATOM 1008 CA ASN A 124 11.582 9.066 1.660 1.00 0.00 C ATOM 1009 C ASN A 124 11.783 9.106 3.175 1.00 0.00 C ATOM 1010 O ASN A 124 11.027 9.767 3.885 1.00 0.00 O ATOM 1011 CB ASN A 124 10.098 8.865 1.356 1.00 0.00 C ATOM 1012 CG ASN A 124 9.625 9.698 0.183 1.00 0.00 C ATOM 1013 OD1 ASN A 124 9.668 9.256 -0.964 1.00 0.00 O ATOM 1014 ND2 ASN A 124 9.165 10.911 0.469 1.00 0.00 N ATOM 0 H ASN A 124 12.597 7.231 1.660 1.00 0.00 H new ATOM 0 HA ASN A 124 11.921 10.014 1.241 1.00 0.00 H new ATOM 0 HB2 ASN A 124 9.913 7.811 1.146 1.00 0.00 H new ATOM 0 HB3 ASN A 124 9.512 9.122 2.239 1.00 0.00 H new ATOM 0 HD21 ASN A 124 8.828 11.518 -0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 124 9.148 11.235 1.436 1.00 0.00 H new ATOM 1021 N ARG A 125 12.817 8.428 3.669 1.00 0.00 N ATOM 1022 CA ARG A 125 13.074 8.383 5.103 1.00 0.00 C ATOM 1023 C ARG A 125 13.973 9.528 5.554 1.00 0.00 C ATOM 1024 O ARG A 125 14.837 9.351 6.413 1.00 0.00 O ATOM 1025 CB ARG A 125 13.699 7.046 5.489 1.00 0.00 C ATOM 1026 CG ARG A 125 12.678 5.932 5.667 1.00 0.00 C ATOM 1027 CD ARG A 125 13.197 4.831 6.578 1.00 0.00 C ATOM 1028 NE ARG A 125 13.797 5.370 7.805 1.00 0.00 N ATOM 1029 CZ ARG A 125 13.296 5.232 9.037 1.00 0.00 C ATOM 1030 NH1 ARG A 125 12.192 4.529 9.266 1.00 0.00 N ATOM 1031 NH2 ARG A 125 13.925 5.797 10.058 1.00 0.00 N ATOM 0 H ARG A 125 13.485 7.907 3.101 1.00 0.00 H new ATOM 0 HA ARG A 125 12.115 8.493 5.610 1.00 0.00 H new ATOM 0 HB2 ARG A 125 14.416 6.753 4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 125 14.258 7.169 6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 125 11.759 6.345 6.083 1.00 0.00 H new ATOM 0 HG3 ARG A 125 12.427 5.510 4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 125 12.378 4.160 6.839 1.00 0.00 H new ATOM 0 HD3 ARG A 125 13.938 4.237 6.043 1.00 0.00 H new ATOM 0 HE ARG A 125 14.668 5.893 7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 125 11.705 4.078 8.492 1.00 0.00 H new ATOM 0 HH12 ARG A 125 11.832 4.440 10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.780 6.329 9.899 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.554 5.700 11.003 1.00 0.00 H new ATOM 1045 N ARG A 126 13.756 10.702 4.979 1.00 0.00 N ATOM 1046 CA ARG A 126 14.532 11.878 5.328 1.00 0.00 C ATOM 1047 C ARG A 126 13.617 12.932 5.935 1.00 0.00 C ATOM 1048 O ARG A 126 13.053 13.762 5.222 1.00 0.00 O ATOM 1049 CB ARG A 126 15.238 12.432 4.090 1.00 0.00 C ATOM 1050 CG ARG A 126 16.308 13.465 4.403 1.00 0.00 C ATOM 1051 CD ARG A 126 17.277 13.620 3.242 1.00 0.00 C ATOM 1052 NE ARG A 126 18.658 13.372 3.649 1.00 0.00 N ATOM 1053 CZ ARG A 126 19.613 12.944 2.825 1.00 0.00 C ATOM 1054 NH1 ARG A 126 19.346 12.717 1.544 1.00 0.00 N ATOM 1055 NH2 ARG A 126 20.842 12.744 3.283 1.00 0.00 N ATOM 0 H ARG A 126 13.045 10.863 4.266 1.00 0.00 H new ATOM 0 HA ARG A 126 15.290 11.603 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 126 15.693 11.606 3.543 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.495 12.881 3.430 1.00 0.00 H new ATOM 0 HG2 ARG A 126 15.839 14.425 4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 126 16.854 13.168 5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 126 17.003 12.928 2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 126 17.194 14.627 2.832 1.00 0.00 H new ATOM 0 HE ARG A 126 18.906 13.537 4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 126 18.404 12.870 1.184 1.00 0.00 H new ATOM 0 HH12 ARG A 126 20.083 12.389 0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 126 21.055 12.918 4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 126 21.574 12.416 2.653 1.00 0.00 H new ATOM 1069 N LYS A 127 13.452 12.879 7.254 1.00 0.00 N ATOM 1070 CA LYS A 127 12.592 13.829 7.944 1.00 0.00 C ATOM 1071 C LYS A 127 13.098 14.129 9.350 1.00 0.00 C ATOM 1072 O LYS A 127 12.782 13.417 10.305 1.00 0.00 O ATOM 1073 CB LYS A 127 11.159 13.301 8.011 1.00 0.00 C ATOM 1074 CG LYS A 127 10.139 14.366 8.383 1.00 0.00 C ATOM 1075 CD LYS A 127 8.716 13.834 8.302 1.00 0.00 C ATOM 1076 CE LYS A 127 8.445 13.164 6.963 1.00 0.00 C ATOM 1077 NZ LYS A 127 8.914 13.996 5.820 1.00 0.00 N ATOM 0 H LYS A 127 13.900 12.192 7.861 1.00 0.00 H new ATOM 0 HA LYS A 127 12.609 14.758 7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 127 10.891 12.874 7.044 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.111 12.492 8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.337 14.723 9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 127 10.246 15.222 7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.547 13.120 9.108 1.00 0.00 H new ATOM 0 HD3 LYS A 127 8.012 14.653 8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.943 12.195 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.376 12.976 6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.274 13.866 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.920 14.998 6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.876 13.706 5.551 1.00 0.00 H new ATOM 1091 N ARG A 128 13.892 15.183 9.463 1.00 0.00 N ATOM 1092 CA ARG A 128 14.427 15.613 10.747 1.00 0.00 C ATOM 1093 C ARG A 128 14.229 17.115 10.898 1.00 0.00 C ATOM 1094 O ARG A 128 14.438 17.867 9.947 1.00 0.00 O ATOM 1095 CB ARG A 128 15.908 15.242 10.869 1.00 0.00 C ATOM 1096 CG ARG A 128 16.760 15.683 9.689 1.00 0.00 C ATOM 1097 CD ARG A 128 17.994 14.806 9.555 1.00 0.00 C ATOM 1098 NE ARG A 128 18.592 14.513 10.858 1.00 0.00 N ATOM 1099 CZ ARG A 128 19.193 13.364 11.170 1.00 0.00 C ATOM 1100 NH1 ARG A 128 19.331 12.401 10.266 1.00 0.00 N ATOM 1101 NH2 ARG A 128 19.669 13.182 12.394 1.00 0.00 N ATOM 0 H ARG A 128 14.182 15.761 8.674 1.00 0.00 H new ATOM 0 HA ARG A 128 13.892 15.102 11.548 1.00 0.00 H new ATOM 0 HB2 ARG A 128 16.309 15.688 11.779 1.00 0.00 H new ATOM 0 HB3 ARG A 128 15.992 14.161 10.980 1.00 0.00 H new ATOM 0 HG2 ARG A 128 16.172 15.634 8.772 1.00 0.00 H new ATOM 0 HG3 ARG A 128 17.060 16.723 9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 128 17.726 13.873 9.059 1.00 0.00 H new ATOM 0 HD3 ARG A 128 18.728 15.304 8.921 1.00 0.00 H new ATOM 0 HE ARG A 128 18.546 15.236 11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 128 18.975 12.535 9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 128 19.793 11.527 10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 128 19.575 13.919 13.093 1.00 0.00 H new ATOM 0 HH22 ARG A 128 20.129 12.305 12.637 1.00 0.00 H new ATOM 1115 N LYS A 129 13.806 17.552 12.079 1.00 0.00 N ATOM 1116 CA LYS A 129 13.568 18.974 12.305 1.00 0.00 C ATOM 1117 C LYS A 129 14.270 19.481 13.563 1.00 0.00 C ATOM 1118 O LYS A 129 15.368 20.034 13.485 1.00 0.00 O ATOM 1119 CB LYS A 129 12.061 19.257 12.380 1.00 0.00 C ATOM 1120 CG LYS A 129 11.609 20.349 11.425 1.00 0.00 C ATOM 1121 CD LYS A 129 10.107 20.307 11.181 1.00 0.00 C ATOM 1122 CE LYS A 129 9.324 20.876 12.353 1.00 0.00 C ATOM 1123 NZ LYS A 129 9.741 22.266 12.685 1.00 0.00 N ATOM 0 H LYS A 129 13.623 16.953 12.884 1.00 0.00 H new ATOM 0 HA LYS A 129 13.991 19.514 11.458 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.514 18.340 12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.802 19.544 13.399 1.00 0.00 H new ATOM 0 HG2 LYS A 129 11.883 21.322 11.831 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.134 20.241 10.476 1.00 0.00 H new ATOM 0 HD2 LYS A 129 9.870 20.871 10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 129 9.797 19.277 11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.260 20.864 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 129 9.464 20.238 13.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 8.899 22.842 12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 10.361 22.252 13.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 10.255 22.676 11.879 1.00 0.00 H new ATOM 1137 N GLY A 130 13.648 19.277 14.720 1.00 0.00 N ATOM 1138 CA GLY A 130 14.221 19.753 15.964 1.00 0.00 C ATOM 1139 C GLY A 130 13.336 20.787 16.638 1.00 0.00 C ATOM 1140 O GLY A 130 12.137 20.565 16.813 1.00 0.00 O ATOM 0 H GLY A 130 12.757 18.790 14.817 1.00 0.00 H new ATOM 0 HA2 GLY A 130 14.373 18.911 16.639 1.00 0.00 H new ATOM 0 HA3 GLY A 130 15.202 20.187 15.769 1.00 0.00 H new ATOM 1144 N SER A 131 13.924 21.918 17.011 1.00 0.00 N ATOM 1145 CA SER A 131 13.181 22.991 17.668 1.00 0.00 C ATOM 1146 C SER A 131 12.679 24.013 16.650 1.00 0.00 C ATOM 1147 O SER A 131 13.346 25.056 16.483 1.00 0.00 O ATOM 1148 CB SER A 131 14.066 23.676 18.712 1.00 0.00 C ATOM 1149 OG SER A 131 13.706 25.037 18.883 1.00 0.00 O ATOM 1150 OXT SER A 131 11.624 23.762 16.030 1.00 0.00 O ATOM 0 H SER A 131 14.914 22.117 16.870 1.00 0.00 H new ATOM 0 HA SER A 131 12.314 22.554 18.164 1.00 0.00 H new ATOM 0 HB2 SER A 131 13.979 23.153 19.664 1.00 0.00 H new ATOM 0 HB3 SER A 131 15.110 23.610 18.406 1.00 0.00 H new ATOM 0 HG SER A 131 13.840 25.519 18.041 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.329 -5.463 1.858 1.00 0.00 ZN