USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 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 90 GLN : amide:sc= -0.239 K(o=-0.22,f=-0.86) USER MOD Set 1.2: A 94 SER OG : rot 127:sc= 0.0178 USER MOD Set 2.1: A 65 GLN : amide:sc= -1.15 K(o=-3.5,f=-2.2) USER MOD Set 2.2: A 68 CYS SG : rot 41:sc= -2.05 USER MOD Set 2.3: A 108 HIS : no HD1:sc= -0.303 K(o=-3.5,f=-2.8) USER MOD Single : A 61 SER OG : rot 28:sc= 0.16 USER MOD Single : A 62 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.2!) USER MOD Single : A 82 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.42) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 160:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -146:sc= -0.152 (180deg=-0.81) USER MOD Single : A 91 LYS NZ :NH3+ 152:sc= -0.0272 (180deg=-0.52) USER MOD Single : A 92 SER OG : rot -164:sc= 0.317 USER MOD Single : A 95 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.54) USER MOD Single : A 96 LYS NZ :NH3+ -117:sc= -2! (180deg=-2.83) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -146:sc= -0.397 (180deg=-1.78!) USER MOD Single : A 104 LYS NZ :NH3+ 150:sc= -0.0683 (180deg=-0.493) USER MOD Single : A 105 SER OG : rot -112:sc= 1.11 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot -158:sc= 0.0572 USER MOD Single : A 116 LYS NZ :NH3+ 157:sc= -0.12 (180deg=-0.573) USER MOD Single : A 117 ASN : amide:sc= -0.0432 X(o=-0.043,f=-0.45) USER MOD Single : A 120 GLN : amide:sc= -0.616 K(o=-0.62,f=-2.1!) USER MOD Single : A 121 SER OG : rot -54:sc= 0.362 USER MOD Single : A 124 ASN : amide:sc= -0.0497 K(o=-0.05,f=-0.96!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 162:sc= -0.0899 (180deg=-0.474) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -19.723 -3.795 10.343 1.00 0.00 N ATOM 2 CA SER A 61 -19.777 -2.656 9.394 1.00 0.00 C ATOM 3 C SER A 61 -18.396 -2.374 8.797 1.00 0.00 C ATOM 4 O SER A 61 -17.529 -3.248 8.789 1.00 0.00 O ATOM 5 CB SER A 61 -20.330 -1.408 10.087 1.00 0.00 C ATOM 6 OG SER A 61 -21.551 -1.683 10.746 1.00 0.00 O ATOM 0 HA SER A 61 -20.448 -2.925 8.578 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.601 -1.037 10.808 1.00 0.00 H new ATOM 0 HB3 SER A 61 -20.482 -0.618 9.351 1.00 0.00 H new ATOM 0 HG SER A 61 -21.575 -2.626 11.010 1.00 0.00 H new ATOM 14 N ASN A 62 -18.194 -1.151 8.306 1.00 0.00 N ATOM 15 CA ASN A 62 -16.932 -0.765 7.676 1.00 0.00 C ATOM 16 C ASN A 62 -15.805 -0.536 8.686 1.00 0.00 C ATOM 17 O ASN A 62 -15.149 0.505 8.671 1.00 0.00 O ATOM 18 CB ASN A 62 -17.141 0.494 6.834 1.00 0.00 C ATOM 19 CG ASN A 62 -17.449 1.715 7.680 1.00 0.00 C ATOM 20 OD1 ASN A 62 -16.554 2.481 8.030 1.00 0.00 O ATOM 21 ND2 ASN A 62 -18.723 1.903 8.012 1.00 0.00 N ATOM 0 H ASN A 62 -18.892 -0.408 8.333 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.623 -1.597 7.043 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.246 0.683 6.241 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.958 0.326 6.133 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.989 2.708 8.579 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.434 1.242 7.700 1.00 0.00 H new ATOM 28 N ALA A 63 -15.574 -1.522 9.544 1.00 0.00 N ATOM 29 CA ALA A 63 -14.515 -1.453 10.541 1.00 0.00 C ATOM 30 C ALA A 63 -13.915 -2.838 10.723 1.00 0.00 C ATOM 31 O ALA A 63 -14.123 -3.495 11.744 1.00 0.00 O ATOM 32 CB ALA A 63 -15.038 -0.908 11.862 1.00 0.00 C ATOM 0 H ALA A 63 -16.113 -2.388 9.568 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.742 -0.767 10.195 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.225 -0.868 12.587 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -15.437 0.095 11.709 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.827 -1.560 12.238 1.00 0.00 H new ATOM 38 N GLY A 64 -13.190 -3.279 9.705 1.00 0.00 N ATOM 39 CA GLY A 64 -12.578 -4.592 9.720 1.00 0.00 C ATOM 40 C GLY A 64 -12.590 -5.208 8.337 1.00 0.00 C ATOM 41 O GLY A 64 -13.460 -6.021 8.017 1.00 0.00 O ATOM 0 H GLY A 64 -13.013 -2.741 8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.552 -4.516 10.080 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.112 -5.239 10.416 1.00 0.00 H new ATOM 45 N GLN A 65 -11.631 -4.809 7.513 1.00 0.00 N ATOM 46 CA GLN A 65 -11.542 -5.302 6.145 1.00 0.00 C ATOM 47 C GLN A 65 -10.206 -5.986 5.890 1.00 0.00 C ATOM 48 O GLN A 65 -9.467 -6.303 6.822 1.00 0.00 O ATOM 49 CB GLN A 65 -11.717 -4.141 5.165 1.00 0.00 C ATOM 50 CG GLN A 65 -12.733 -3.102 5.624 1.00 0.00 C ATOM 51 CD GLN A 65 -12.119 -1.730 5.840 1.00 0.00 C ATOM 52 OE1 GLN A 65 -12.480 -1.019 6.777 1.00 0.00 O ATOM 53 NE2 GLN A 65 -11.205 -1.337 4.957 1.00 0.00 N ATOM 0 H GLN A 65 -10.902 -4.143 7.769 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.335 -6.035 5.997 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.753 -3.654 5.017 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.026 -4.537 4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.528 -3.026 4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.195 -3.438 6.552 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.933 -1.957 4.194 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.776 -0.416 5.043 1.00 0.00 H new ATOM 62 N LEU A 66 -9.905 -6.208 4.615 1.00 0.00 N ATOM 63 CA LEU A 66 -8.658 -6.847 4.222 1.00 0.00 C ATOM 64 C LEU A 66 -7.976 -6.055 3.110 1.00 0.00 C ATOM 65 O LEU A 66 -8.639 -5.465 2.255 1.00 0.00 O ATOM 66 CB LEU A 66 -8.914 -8.282 3.758 1.00 0.00 C ATOM 67 CG LEU A 66 -9.493 -9.218 4.821 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.674 -10.618 4.257 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.595 -9.249 6.049 1.00 0.00 C ATOM 0 H LEU A 66 -10.511 -5.953 3.835 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.000 -6.870 5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.597 -8.256 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.975 -8.703 3.399 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.471 -8.839 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.087 -11.270 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.356 -10.583 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.709 -11.007 3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.022 -9.919 6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.604 -9.604 5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.515 -8.245 6.467 1.00 0.00 H new ATOM 81 N CYS A 67 -6.648 -6.043 3.133 1.00 0.00 N ATOM 82 CA CYS A 67 -5.862 -5.332 2.130 1.00 0.00 C ATOM 83 C CYS A 67 -6.346 -5.672 0.719 1.00 0.00 C ATOM 84 O CYS A 67 -6.649 -6.828 0.421 1.00 0.00 O ATOM 85 CB CYS A 67 -4.386 -5.692 2.293 1.00 0.00 C ATOM 86 SG CYS A 67 -3.303 -5.012 1.021 1.00 0.00 S ATOM 0 H CYS A 67 -6.090 -6.521 3.840 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.988 -4.259 2.276 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.045 -5.341 3.267 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.288 -6.778 2.293 1.00 0.00 H new ATOM 91 N CYS A 68 -6.409 -4.661 -0.149 1.00 0.00 N ATOM 92 CA CYS A 68 -6.883 -4.861 -1.517 1.00 0.00 C ATOM 93 C CYS A 68 -5.762 -4.746 -2.549 1.00 0.00 C ATOM 94 O CYS A 68 -5.989 -4.318 -3.680 1.00 0.00 O ATOM 95 CB CYS A 68 -8.000 -3.867 -1.837 1.00 0.00 C ATOM 96 SG CYS A 68 -9.588 -4.299 -1.087 1.00 0.00 S ATOM 0 H CYS A 68 -6.139 -3.702 0.070 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.269 -5.878 -1.578 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.703 -2.876 -1.494 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.123 -3.806 -2.918 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.392 -4.737 0.121 1.00 0.00 H new ATOM 102 N LEU A 69 -4.559 -5.137 -2.155 1.00 0.00 N ATOM 103 CA LEU A 69 -3.410 -5.105 -3.051 1.00 0.00 C ATOM 104 C LEU A 69 -2.969 -6.526 -3.369 1.00 0.00 C ATOM 105 O LEU A 69 -3.234 -7.450 -2.598 1.00 0.00 O ATOM 106 CB LEU A 69 -2.251 -4.328 -2.424 1.00 0.00 C ATOM 107 CG LEU A 69 -2.551 -2.865 -2.101 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.352 -2.212 -1.432 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.938 -2.109 -3.363 1.00 0.00 C ATOM 0 H LEU A 69 -4.352 -5.481 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.702 -4.599 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.951 -4.832 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.399 -4.367 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.392 -2.829 -1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.583 -1.170 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.120 -2.739 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.492 -2.258 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.148 -1.069 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.117 -2.152 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.826 -2.564 -3.802 1.00 0.00 H new ATOM 121 N ARG A 70 -2.305 -6.704 -4.503 1.00 0.00 N ATOM 122 CA ARG A 70 -1.843 -8.025 -4.903 1.00 0.00 C ATOM 123 C ARG A 70 -0.340 -8.038 -5.150 1.00 0.00 C ATOM 124 O ARG A 70 0.141 -7.480 -6.136 1.00 0.00 O ATOM 125 CB ARG A 70 -2.582 -8.495 -6.156 1.00 0.00 C ATOM 126 CG ARG A 70 -4.085 -8.591 -5.969 1.00 0.00 C ATOM 127 CD ARG A 70 -4.736 -9.458 -7.036 1.00 0.00 C ATOM 128 NE ARG A 70 -4.292 -10.853 -6.960 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.095 -11.916 -7.081 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.400 -11.775 -7.294 1.00 0.00 N ATOM 131 NH2 ARG A 70 -4.582 -13.136 -6.993 1.00 0.00 N ATOM 0 H ARG A 70 -2.076 -5.956 -5.158 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.058 -8.711 -4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.368 -7.807 -6.974 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.197 -9.471 -6.451 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.302 -9.004 -4.984 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.519 -7.592 -5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.820 -9.416 -6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.501 -9.056 -8.022 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.299 -11.026 -6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.807 -10.843 -7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.994 -12.599 -7.383 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.582 -13.258 -6.834 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.188 -13.952 -7.084 1.00 0.00 H new ATOM 145 N GLU A 71 0.396 -8.673 -4.246 1.00 0.00 N ATOM 146 CA GLU A 71 1.845 -8.772 -4.378 1.00 0.00 C ATOM 147 C GLU A 71 2.229 -10.135 -4.939 1.00 0.00 C ATOM 148 O GLU A 71 2.039 -11.159 -4.288 1.00 0.00 O ATOM 149 CB GLU A 71 2.526 -8.548 -3.027 1.00 0.00 C ATOM 150 CG GLU A 71 4.040 -8.672 -3.089 1.00 0.00 C ATOM 151 CD GLU A 71 4.704 -8.395 -1.755 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.705 -7.222 -1.326 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.228 -9.348 -1.143 1.00 0.00 O ATOM 0 H GLU A 71 0.015 -9.126 -3.415 1.00 0.00 H new ATOM 0 HA GLU A 71 2.182 -7.998 -5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.264 -7.557 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.138 -9.270 -2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.305 -9.676 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.427 -7.977 -3.834 1.00 0.00 H new ATOM 160 N ASP A 72 2.765 -10.142 -6.154 1.00 0.00 N ATOM 161 CA ASP A 72 3.162 -11.384 -6.807 1.00 0.00 C ATOM 162 C ASP A 72 2.014 -12.389 -6.800 1.00 0.00 C ATOM 163 O ASP A 72 2.201 -13.564 -6.481 1.00 0.00 O ATOM 164 CB ASP A 72 4.398 -11.982 -6.131 1.00 0.00 C ATOM 165 CG ASP A 72 5.664 -11.722 -6.923 1.00 0.00 C ATOM 166 OD1 ASP A 72 6.276 -10.650 -6.731 1.00 0.00 O ATOM 167 OD2 ASP A 72 6.043 -12.588 -7.738 1.00 0.00 O ATOM 0 H ASP A 72 2.935 -9.302 -6.707 1.00 0.00 H new ATOM 0 HA ASP A 72 3.413 -11.155 -7.843 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.503 -11.560 -5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.261 -13.057 -6.011 1.00 0.00 H new ATOM 172 N GLY A 73 0.826 -11.913 -7.154 1.00 0.00 N ATOM 173 CA GLY A 73 -0.340 -12.777 -7.198 1.00 0.00 C ATOM 174 C GLY A 73 -0.944 -13.043 -5.830 1.00 0.00 C ATOM 175 O GLY A 73 -1.933 -13.767 -5.722 1.00 0.00 O ATOM 0 H GLY A 73 0.649 -10.942 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.096 -12.323 -7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.063 -13.727 -7.656 1.00 0.00 H new ATOM 179 N GLU A 74 -0.361 -12.465 -4.783 1.00 0.00 N ATOM 180 CA GLU A 74 -0.876 -12.668 -3.432 1.00 0.00 C ATOM 181 C GLU A 74 -1.704 -11.483 -2.968 1.00 0.00 C ATOM 182 O GLU A 74 -1.235 -10.346 -2.962 1.00 0.00 O ATOM 183 CB GLU A 74 0.263 -12.925 -2.441 1.00 0.00 C ATOM 184 CG GLU A 74 0.619 -14.393 -2.297 1.00 0.00 C ATOM 185 CD GLU A 74 -0.603 -15.262 -2.086 1.00 0.00 C ATOM 186 OE1 GLU A 74 -1.198 -15.197 -0.991 1.00 0.00 O ATOM 187 OE2 GLU A 74 -0.976 -15.994 -3.027 1.00 0.00 O ATOM 0 H GLU A 74 0.458 -11.860 -4.842 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.520 -13.547 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.147 -12.375 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.019 -12.530 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.149 -14.725 -3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.301 -14.519 -1.456 1.00 0.00 H new ATOM 194 N ARG A 75 -2.941 -11.763 -2.564 1.00 0.00 N ATOM 195 CA ARG A 75 -3.838 -10.718 -2.097 1.00 0.00 C ATOM 196 C ARG A 75 -3.620 -10.436 -0.615 1.00 0.00 C ATOM 197 O ARG A 75 -4.574 -10.405 0.149 1.00 0.00 O ATOM 198 CB ARG A 75 -5.284 -11.180 -2.302 1.00 0.00 C ATOM 199 CG ARG A 75 -5.910 -10.754 -3.618 1.00 0.00 C ATOM 200 CD ARG A 75 -6.677 -9.448 -3.471 1.00 0.00 C ATOM 201 NE ARG A 75 -7.604 -9.478 -2.337 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.372 -8.453 -1.991 1.00 0.00 C ATOM 203 NH1 ARG A 75 -8.417 -7.373 -2.754 1.00 0.00 N ATOM 204 NH2 ARG A 75 -9.118 -8.522 -0.896 1.00 0.00 N ATOM 0 H ARG A 75 -3.340 -12.701 -2.552 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.637 -9.807 -2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.315 -12.268 -2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.893 -10.794 -1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.132 -10.638 -4.372 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.583 -11.535 -3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.972 -8.627 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.232 -9.249 -4.388 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.662 -10.333 -1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.861 -7.329 -3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.007 -6.585 -2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.101 -9.363 -0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.708 -7.734 -0.630 1.00 0.00 H new ATOM 218 N CYS A 76 -2.376 -10.123 -0.256 1.00 0.00 N ATOM 219 CA CYS A 76 -1.982 -9.819 1.127 1.00 0.00 C ATOM 220 C CYS A 76 -2.667 -10.710 2.178 1.00 0.00 C ATOM 221 O CYS A 76 -2.026 -11.572 2.780 1.00 0.00 O ATOM 222 CB CYS A 76 -2.258 -8.354 1.438 1.00 0.00 C ATOM 223 SG CYS A 76 -0.984 -7.573 2.452 1.00 0.00 S ATOM 0 H CYS A 76 -1.603 -10.072 -0.920 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.914 -10.029 1.191 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.351 -7.805 0.501 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.217 -8.275 1.951 1.00 0.00 H new ATOM 228 N GLY A 77 -3.953 -10.479 2.422 1.00 0.00 N ATOM 229 CA GLY A 77 -4.679 -11.254 3.408 1.00 0.00 C ATOM 230 C GLY A 77 -4.738 -10.534 4.735 1.00 0.00 C ATOM 231 O GLY A 77 -5.636 -10.765 5.546 1.00 0.00 O ATOM 0 H GLY A 77 -4.507 -9.764 1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.691 -11.446 3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.198 -12.223 3.538 1.00 0.00 H new ATOM 235 N ARG A 78 -3.766 -9.653 4.950 1.00 0.00 N ATOM 236 CA ARG A 78 -3.685 -8.870 6.168 1.00 0.00 C ATOM 237 C ARG A 78 -4.805 -7.838 6.216 1.00 0.00 C ATOM 238 O ARG A 78 -5.183 -7.269 5.193 1.00 0.00 O ATOM 239 CB ARG A 78 -2.326 -8.178 6.235 1.00 0.00 C ATOM 240 CG ARG A 78 -2.131 -7.317 7.468 1.00 0.00 C ATOM 241 CD ARG A 78 -0.735 -6.723 7.491 1.00 0.00 C ATOM 242 NE ARG A 78 -0.430 -6.089 8.769 1.00 0.00 N ATOM 243 CZ ARG A 78 0.788 -6.049 9.310 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.828 -6.595 8.688 1.00 0.00 N ATOM 245 NH2 ARG A 78 0.969 -5.458 10.482 1.00 0.00 N ATOM 0 H ARG A 78 -3.017 -9.466 4.284 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.797 -9.533 7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.543 -8.935 6.206 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.202 -7.557 5.348 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.872 -6.518 7.481 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.292 -7.915 8.365 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.004 -7.507 7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.640 -5.989 6.691 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.195 -5.649 9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.700 -7.052 7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.754 -6.557 9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.178 -5.035 10.968 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.899 -5.426 10.899 1.00 0.00 H new ATOM 259 N ALA A 79 -5.329 -7.600 7.411 1.00 0.00 N ATOM 260 CA ALA A 79 -6.412 -6.642 7.593 1.00 0.00 C ATOM 261 C ALA A 79 -5.987 -5.233 7.200 1.00 0.00 C ATOM 262 O ALA A 79 -4.819 -4.865 7.332 1.00 0.00 O ATOM 263 CB ALA A 79 -6.890 -6.661 9.036 1.00 0.00 C ATOM 0 H ALA A 79 -5.022 -8.057 8.269 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.231 -6.937 6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.699 -5.941 9.161 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.250 -7.659 9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.064 -6.396 9.696 1.00 0.00 H new ATOM 269 N ALA A 80 -6.943 -4.450 6.708 1.00 0.00 N ATOM 270 CA ALA A 80 -6.673 -3.073 6.319 1.00 0.00 C ATOM 271 C ALA A 80 -6.337 -2.249 7.554 1.00 0.00 C ATOM 272 O ALA A 80 -6.761 -2.584 8.660 1.00 0.00 O ATOM 273 CB ALA A 80 -7.868 -2.481 5.587 1.00 0.00 C ATOM 0 H ALA A 80 -7.909 -4.747 6.570 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.820 -3.056 5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.648 -1.452 5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.073 -3.068 4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.740 -2.499 6.240 1.00 0.00 H new ATOM 279 N GLY A 81 -5.583 -1.172 7.374 1.00 0.00 N ATOM 280 CA GLY A 81 -5.206 -0.359 8.511 1.00 0.00 C ATOM 281 C GLY A 81 -5.431 1.125 8.307 1.00 0.00 C ATOM 282 O GLY A 81 -6.301 1.542 7.543 1.00 0.00 O ATOM 0 H GLY A 81 -5.230 -0.851 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.773 -0.686 9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.153 -0.529 8.734 1.00 0.00 H new ATOM 286 N ASN A 82 -4.619 1.916 8.995 1.00 0.00 N ATOM 287 CA ASN A 82 -4.716 3.377 8.935 1.00 0.00 C ATOM 288 C ASN A 82 -3.938 3.934 7.752 1.00 0.00 C ATOM 289 O ASN A 82 -3.013 4.731 7.920 1.00 0.00 O ATOM 290 CB ASN A 82 -4.228 4.034 10.244 1.00 0.00 C ATOM 291 CG ASN A 82 -3.333 3.138 11.088 1.00 0.00 C ATOM 292 OD1 ASN A 82 -2.108 3.166 10.968 1.00 0.00 O ATOM 293 ND2 ASN A 82 -3.949 2.324 11.939 1.00 0.00 N ATOM 0 H ASN A 82 -3.879 1.572 9.607 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.771 3.619 8.804 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -3.685 4.947 10.000 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.094 4.327 10.837 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.404 1.691 12.524 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.967 2.333 12.007 1.00 0.00 H new ATOM 300 N ALA A 83 -4.324 3.519 6.553 1.00 0.00 N ATOM 301 CA ALA A 83 -3.664 3.977 5.340 1.00 0.00 C ATOM 302 C ALA A 83 -4.620 3.966 4.155 1.00 0.00 C ATOM 303 O ALA A 83 -5.688 3.356 4.209 1.00 0.00 O ATOM 304 CB ALA A 83 -2.449 3.113 5.044 1.00 0.00 C ATOM 0 H ALA A 83 -5.091 2.866 6.395 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.338 5.005 5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.964 3.466 4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.748 3.174 5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.763 2.078 4.910 1.00 0.00 H new ATOM 310 N SER A 84 -4.226 4.645 3.086 1.00 0.00 N ATOM 311 CA SER A 84 -5.041 4.716 1.882 1.00 0.00 C ATOM 312 C SER A 84 -4.162 4.620 0.642 1.00 0.00 C ATOM 313 O SER A 84 -2.942 4.756 0.723 1.00 0.00 O ATOM 314 CB SER A 84 -5.827 6.027 1.850 1.00 0.00 C ATOM 315 OG SER A 84 -6.249 6.403 3.150 1.00 0.00 O ATOM 0 H SER A 84 -3.345 5.155 3.029 1.00 0.00 H new ATOM 0 HA SER A 84 -5.740 3.880 1.891 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.207 6.816 1.424 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.695 5.918 1.200 1.00 0.00 H new ATOM 0 HG SER A 84 -6.748 7.245 3.101 1.00 0.00 H new ATOM 321 N PHE A 85 -4.785 4.375 -0.503 1.00 0.00 N ATOM 322 CA PHE A 85 -4.053 4.286 -1.758 1.00 0.00 C ATOM 323 C PHE A 85 -4.116 5.620 -2.488 1.00 0.00 C ATOM 324 O PHE A 85 -5.075 5.905 -3.205 1.00 0.00 O ATOM 325 CB PHE A 85 -4.622 3.175 -2.638 1.00 0.00 C ATOM 326 CG PHE A 85 -3.871 2.976 -3.924 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.665 2.292 -3.940 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.378 3.460 -5.118 1.00 0.00 C ATOM 329 CE1 PHE A 85 -1.982 2.093 -5.125 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.698 3.268 -6.304 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.501 2.582 -6.309 1.00 0.00 C ATOM 0 H PHE A 85 -5.792 4.235 -0.588 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.012 4.047 -1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.617 2.241 -2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.663 3.403 -2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.255 1.911 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.317 3.994 -5.122 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.045 1.556 -5.126 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.103 3.655 -7.228 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.970 2.427 -7.237 1.00 0.00 H new ATOM 341 N SER A 86 -3.094 6.439 -2.283 1.00 0.00 N ATOM 342 CA SER A 86 -3.028 7.755 -2.904 1.00 0.00 C ATOM 343 C SER A 86 -2.120 7.740 -4.130 1.00 0.00 C ATOM 344 O SER A 86 -1.730 6.679 -4.614 1.00 0.00 O ATOM 345 CB SER A 86 -2.516 8.774 -1.884 1.00 0.00 C ATOM 346 OG SER A 86 -1.255 8.385 -1.366 1.00 0.00 O ATOM 0 H SER A 86 -2.296 6.214 -1.689 1.00 0.00 H new ATOM 0 HA SER A 86 -4.029 8.035 -3.232 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.433 9.754 -2.354 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.234 8.870 -1.069 1.00 0.00 H new ATOM 0 HG SER A 86 -0.804 9.166 -0.981 1.00 0.00 H new ATOM 352 N LYS A 87 -1.831 8.926 -4.655 1.00 0.00 N ATOM 353 CA LYS A 87 -0.948 9.060 -5.816 1.00 0.00 C ATOM 354 C LYS A 87 0.521 8.907 -5.422 1.00 0.00 C ATOM 355 O LYS A 87 1.287 8.228 -6.107 1.00 0.00 O ATOM 356 CB LYS A 87 -1.163 10.397 -6.535 1.00 0.00 C ATOM 357 CG LYS A 87 -1.509 11.563 -5.623 1.00 0.00 C ATOM 358 CD LYS A 87 -2.983 11.921 -5.731 1.00 0.00 C ATOM 359 CE LYS A 87 -3.297 12.530 -7.088 1.00 0.00 C ATOM 360 NZ LYS A 87 -2.397 13.677 -7.398 1.00 0.00 N ATOM 0 H LYS A 87 -2.193 9.810 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.206 8.255 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.258 10.644 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.963 10.276 -7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.268 11.306 -4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.901 12.428 -5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.590 11.028 -5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.249 12.625 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.196 11.768 -7.861 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.334 12.866 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.919 14.389 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.059 14.103 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.584 13.340 -7.952 1.00 0.00 H new ATOM 374 N ARG A 88 0.911 9.536 -4.313 1.00 0.00 N ATOM 375 CA ARG A 88 2.291 9.461 -3.839 1.00 0.00 C ATOM 376 C ARG A 88 2.737 8.005 -3.758 1.00 0.00 C ATOM 377 O ARG A 88 3.887 7.677 -4.051 1.00 0.00 O ATOM 378 CB ARG A 88 2.411 10.162 -2.474 1.00 0.00 C ATOM 379 CG ARG A 88 3.607 9.732 -1.627 1.00 0.00 C ATOM 380 CD ARG A 88 3.282 8.509 -0.783 1.00 0.00 C ATOM 381 NE ARG A 88 1.963 8.613 -0.158 1.00 0.00 N ATOM 382 CZ ARG A 88 1.735 9.166 1.031 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.732 9.685 1.738 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.500 9.209 1.511 1.00 0.00 N ATOM 0 H ARG A 88 0.293 10.100 -3.729 1.00 0.00 H new ATOM 0 HA ARG A 88 2.947 9.973 -4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.471 11.238 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.499 9.977 -1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.454 9.512 -2.277 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.908 10.554 -0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.318 7.617 -1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.041 8.389 -0.010 1.00 0.00 H new ATOM 0 HE ARG A 88 1.164 8.236 -0.668 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.683 9.662 1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.546 10.106 2.648 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.271 8.819 0.970 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.321 9.632 2.422 1.00 0.00 H new ATOM 398 N ILE A 89 1.813 7.138 -3.366 1.00 0.00 N ATOM 399 CA ILE A 89 2.095 5.716 -3.270 1.00 0.00 C ATOM 400 C ILE A 89 2.273 5.132 -4.667 1.00 0.00 C ATOM 401 O ILE A 89 3.187 4.345 -4.911 1.00 0.00 O ATOM 402 CB ILE A 89 0.964 4.975 -2.523 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.870 5.494 -1.086 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.184 3.468 -2.532 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.091 4.716 -0.216 1.00 0.00 C ATOM 0 H ILE A 89 0.861 7.397 -3.109 1.00 0.00 H new ATOM 0 HA ILE A 89 3.016 5.584 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 89 0.025 5.172 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.861 5.463 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.561 6.539 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.370 2.978 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.210 3.110 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.130 3.236 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.102 5.144 0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.092 4.767 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.228 3.675 -0.163 1.00 0.00 H new ATOM 417 N GLN A 90 1.396 5.532 -5.582 1.00 0.00 N ATOM 418 CA GLN A 90 1.465 5.065 -6.962 1.00 0.00 C ATOM 419 C GLN A 90 2.815 5.427 -7.567 1.00 0.00 C ATOM 420 O GLN A 90 3.392 4.658 -8.337 1.00 0.00 O ATOM 421 CB GLN A 90 0.334 5.681 -7.788 1.00 0.00 C ATOM 422 CG GLN A 90 0.399 5.339 -9.268 1.00 0.00 C ATOM 423 CD GLN A 90 1.021 6.445 -10.097 1.00 0.00 C ATOM 424 OE1 GLN A 90 2.235 6.482 -10.298 1.00 0.00 O ATOM 425 NE2 GLN A 90 0.187 7.356 -10.587 1.00 0.00 N ATOM 0 H GLN A 90 0.630 6.178 -5.393 1.00 0.00 H new ATOM 0 HA GLN A 90 1.352 3.981 -6.972 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.622 5.342 -7.388 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.361 6.765 -7.673 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.975 4.423 -9.400 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.608 5.138 -9.635 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.813 7.287 -10.396 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.546 8.124 -11.154 1.00 0.00 H new ATOM 434 N LYS A 91 3.311 6.606 -7.209 1.00 0.00 N ATOM 435 CA LYS A 91 4.596 7.075 -7.697 1.00 0.00 C ATOM 436 C LYS A 91 5.717 6.261 -7.066 1.00 0.00 C ATOM 437 O LYS A 91 6.639 5.814 -7.749 1.00 0.00 O ATOM 438 CB LYS A 91 4.766 8.559 -7.374 1.00 0.00 C ATOM 439 CG LYS A 91 5.170 9.401 -8.573 1.00 0.00 C ATOM 440 CD LYS A 91 6.595 9.107 -9.011 1.00 0.00 C ATOM 441 CE LYS A 91 6.707 9.040 -10.526 1.00 0.00 C ATOM 442 NZ LYS A 91 6.042 10.197 -11.186 1.00 0.00 N ATOM 0 H LYS A 91 2.838 7.255 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 91 4.638 6.947 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.830 8.944 -6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.519 8.668 -6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.488 9.207 -9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.077 10.458 -8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.262 9.880 -8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.923 8.162 -8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.759 9.015 -10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.258 8.113 -10.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.506 10.391 -12.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.039 9.974 -11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.116 11.035 -10.574 1.00 0.00 H new ATOM 456 N SER A 92 5.625 6.067 -5.753 1.00 0.00 N ATOM 457 CA SER A 92 6.621 5.288 -5.034 1.00 0.00 C ATOM 458 C SER A 92 6.752 3.913 -5.674 1.00 0.00 C ATOM 459 O SER A 92 7.849 3.374 -5.788 1.00 0.00 O ATOM 460 CB SER A 92 6.234 5.155 -3.558 1.00 0.00 C ATOM 461 OG SER A 92 7.330 4.707 -2.779 1.00 0.00 O ATOM 0 H SER A 92 4.874 6.437 -5.171 1.00 0.00 H new ATOM 0 HA SER A 92 7.581 5.801 -5.089 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.887 6.117 -3.182 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.404 4.456 -3.459 1.00 0.00 H new ATOM 0 HG SER A 92 7.006 4.392 -1.909 1.00 0.00 H new ATOM 467 N ILE A 93 5.620 3.362 -6.108 1.00 0.00 N ATOM 468 CA ILE A 93 5.599 2.058 -6.759 1.00 0.00 C ATOM 469 C ILE A 93 6.163 2.157 -8.173 1.00 0.00 C ATOM 470 O ILE A 93 6.921 1.295 -8.611 1.00 0.00 O ATOM 471 CB ILE A 93 4.167 1.482 -6.831 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.576 1.333 -5.429 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.164 0.139 -7.550 1.00 0.00 C ATOM 474 CD1 ILE A 93 2.090 1.041 -5.430 1.00 0.00 C ATOM 0 H ILE A 93 4.704 3.802 -6.019 1.00 0.00 H new ATOM 0 HA ILE A 93 6.217 1.390 -6.159 1.00 0.00 H new ATOM 0 HB ILE A 93 3.548 2.179 -7.396 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.096 0.530 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.758 2.249 -4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.147 -0.250 -7.590 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.543 0.268 -8.564 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.800 -0.564 -7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.737 0.948 -4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.560 1.855 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.903 0.110 -5.964 1.00 0.00 H new ATOM 486 N SER A 94 5.785 3.218 -8.883 1.00 0.00 N ATOM 487 CA SER A 94 6.250 3.430 -10.249 1.00 0.00 C ATOM 488 C SER A 94 7.770 3.495 -10.311 1.00 0.00 C ATOM 489 O SER A 94 8.379 3.027 -11.274 1.00 0.00 O ATOM 490 CB SER A 94 5.652 4.713 -10.827 1.00 0.00 C ATOM 491 OG SER A 94 4.485 4.438 -11.581 1.00 0.00 O ATOM 0 H SER A 94 5.158 3.943 -8.534 1.00 0.00 H new ATOM 0 HA SER A 94 5.918 2.581 -10.846 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.412 5.402 -10.018 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.389 5.208 -11.459 1.00 0.00 H new ATOM 0 HG SER A 94 3.747 4.994 -11.255 1.00 0.00 H new ATOM 497 N GLN A 95 8.381 4.080 -9.288 1.00 0.00 N ATOM 498 CA GLN A 95 9.831 4.191 -9.245 1.00 0.00 C ATOM 499 C GLN A 95 10.455 2.860 -8.841 1.00 0.00 C ATOM 500 O GLN A 95 11.602 2.571 -9.184 1.00 0.00 O ATOM 501 CB GLN A 95 10.261 5.302 -8.286 1.00 0.00 C ATOM 502 CG GLN A 95 11.357 6.184 -8.858 1.00 0.00 C ATOM 503 CD GLN A 95 10.969 6.793 -10.192 1.00 0.00 C ATOM 504 OE1 GLN A 95 9.821 7.191 -10.398 1.00 0.00 O ATOM 505 NE2 GLN A 95 11.921 6.850 -11.116 1.00 0.00 N ATOM 0 H GLN A 95 7.899 4.481 -8.484 1.00 0.00 H new ATOM 0 HA GLN A 95 10.185 4.449 -10.243 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.396 5.918 -8.041 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.609 4.856 -7.354 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.585 6.981 -8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.267 5.596 -8.980 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.859 6.509 -10.904 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.715 7.234 -12.038 1.00 0.00 H new ATOM 514 N LYS A 96 9.691 2.050 -8.112 1.00 0.00 N ATOM 515 CA LYS A 96 10.160 0.738 -7.683 1.00 0.00 C ATOM 516 C LYS A 96 9.983 -0.278 -8.804 1.00 0.00 C ATOM 517 O LYS A 96 10.911 -1.008 -9.149 1.00 0.00 O ATOM 518 CB LYS A 96 9.383 0.239 -6.460 1.00 0.00 C ATOM 519 CG LYS A 96 9.593 1.053 -5.196 1.00 0.00 C ATOM 520 CD LYS A 96 9.919 0.157 -4.010 1.00 0.00 C ATOM 521 CE LYS A 96 11.401 -0.173 -3.945 1.00 0.00 C ATOM 522 NZ LYS A 96 12.246 1.051 -3.949 1.00 0.00 N ATOM 0 H LYS A 96 8.745 2.280 -7.807 1.00 0.00 H new ATOM 0 HA LYS A 96 11.214 0.841 -7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.320 0.234 -6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.669 -0.794 -6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.403 1.765 -5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.695 1.633 -4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.615 0.651 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.344 -0.766 -4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.604 -0.751 -3.043 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.670 -0.802 -4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.842 1.059 -4.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.636 1.894 -3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.852 1.058 -3.104 1.00 0.00 H new ATOM 536 N LYS A 97 8.776 -0.301 -9.366 1.00 0.00 N ATOM 537 CA LYS A 97 8.422 -1.240 -10.423 1.00 0.00 C ATOM 538 C LYS A 97 8.325 -2.644 -9.840 1.00 0.00 C ATOM 539 O LYS A 97 9.196 -3.485 -10.059 1.00 0.00 O ATOM 540 CB LYS A 97 9.436 -1.201 -11.572 1.00 0.00 C ATOM 541 CG LYS A 97 9.518 0.147 -12.273 1.00 0.00 C ATOM 542 CD LYS A 97 8.546 0.232 -13.441 1.00 0.00 C ATOM 543 CE LYS A 97 8.826 1.452 -14.307 1.00 0.00 C ATOM 544 NZ LYS A 97 7.904 1.531 -15.474 1.00 0.00 N ATOM 0 H LYS A 97 8.019 0.330 -9.101 1.00 0.00 H new ATOM 0 HA LYS A 97 7.455 -0.950 -10.835 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.421 -1.459 -11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.172 -1.965 -12.303 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.301 0.942 -11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.534 0.310 -12.632 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.622 -0.671 -14.046 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.524 0.278 -13.064 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.726 2.355 -13.705 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.856 1.417 -14.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.129 2.376 -16.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.017 0.682 -16.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 6.922 1.591 -15.137 1.00 0.00 H new ATOM 558 N VAL A 98 7.260 -2.875 -9.076 1.00 0.00 N ATOM 559 CA VAL A 98 7.038 -4.165 -8.433 1.00 0.00 C ATOM 560 C VAL A 98 5.699 -4.770 -8.840 1.00 0.00 C ATOM 561 O VAL A 98 4.899 -4.134 -9.527 1.00 0.00 O ATOM 562 CB VAL A 98 7.084 -4.029 -6.899 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.500 -3.731 -6.432 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.124 -2.943 -6.432 1.00 0.00 C ATOM 0 H VAL A 98 6.536 -2.182 -8.887 1.00 0.00 H new ATOM 0 HA VAL A 98 7.838 -4.827 -8.764 1.00 0.00 H new ATOM 0 HB VAL A 98 6.771 -4.976 -6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.513 -3.638 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.161 -4.543 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.842 -2.798 -6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.169 -2.860 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.406 -1.991 -6.881 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.109 -3.200 -6.735 1.00 0.00 H new ATOM 574 N LYS A 99 5.459 -6.003 -8.403 1.00 0.00 N ATOM 575 CA LYS A 99 4.221 -6.703 -8.726 1.00 0.00 C ATOM 576 C LYS A 99 3.095 -6.325 -7.771 1.00 0.00 C ATOM 577 O LYS A 99 2.508 -7.184 -7.115 1.00 0.00 O ATOM 578 CB LYS A 99 4.440 -8.215 -8.696 1.00 0.00 C ATOM 579 CG LYS A 99 5.402 -8.705 -9.763 1.00 0.00 C ATOM 580 CD LYS A 99 4.938 -10.020 -10.363 1.00 0.00 C ATOM 581 CE LYS A 99 5.285 -10.111 -11.840 1.00 0.00 C ATOM 582 NZ LYS A 99 4.895 -8.876 -12.579 1.00 0.00 N ATOM 0 H LYS A 99 6.106 -6.538 -7.824 1.00 0.00 H new ATOM 0 HA LYS A 99 3.928 -6.400 -9.731 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.821 -8.500 -7.715 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.481 -8.716 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.489 -7.955 -10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.395 -8.830 -9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.401 -10.849 -9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.860 -10.120 -10.234 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.356 -10.278 -11.952 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.781 -10.972 -12.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.596 -9.128 -13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.109 -8.409 -12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.708 -8.229 -12.626 1.00 0.00 H new ATOM 596 N ILE A 100 2.801 -5.035 -7.698 1.00 0.00 N ATOM 597 CA ILE A 100 1.736 -4.543 -6.837 1.00 0.00 C ATOM 598 C ILE A 100 0.691 -3.800 -7.660 1.00 0.00 C ATOM 599 O ILE A 100 1.028 -3.010 -8.541 1.00 0.00 O ATOM 600 CB ILE A 100 2.281 -3.605 -5.736 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.263 -4.359 -4.837 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.143 -3.022 -4.907 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.907 -3.487 -3.780 1.00 0.00 C ATOM 0 H ILE A 100 3.286 -4.309 -8.226 1.00 0.00 H new ATOM 0 HA ILE A 100 1.280 -5.409 -6.357 1.00 0.00 H new ATOM 0 HB ILE A 100 2.807 -2.781 -6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.739 -5.181 -4.349 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.043 -4.802 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.552 -2.365 -4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.476 -2.452 -5.554 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.586 -3.831 -4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.591 -4.088 -3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.460 -2.680 -4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.135 -3.065 -3.137 1.00 0.00 H new ATOM 615 N GLU A 101 -0.577 -4.067 -7.380 1.00 0.00 N ATOM 616 CA GLU A 101 -1.662 -3.411 -8.091 1.00 0.00 C ATOM 617 C GLU A 101 -2.920 -3.378 -7.237 1.00 0.00 C ATOM 618 O GLU A 101 -2.930 -3.873 -6.109 1.00 0.00 O ATOM 619 CB GLU A 101 -1.937 -4.108 -9.431 1.00 0.00 C ATOM 620 CG GLU A 101 -2.753 -5.391 -9.326 1.00 0.00 C ATOM 621 CD GLU A 101 -3.995 -5.352 -10.197 1.00 0.00 C ATOM 622 OE1 GLU A 101 -3.855 -5.121 -11.417 1.00 0.00 O ATOM 623 OE2 GLU A 101 -5.105 -5.553 -9.662 1.00 0.00 O ATOM 0 H GLU A 101 -0.878 -4.732 -6.667 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.360 -2.384 -8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.462 -3.412 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.984 -4.338 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.133 -6.239 -9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.044 -5.551 -8.288 1.00 0.00 H new ATOM 630 N LEU A 102 -3.980 -2.801 -7.780 1.00 0.00 N ATOM 631 CA LEU A 102 -5.233 -2.706 -7.056 1.00 0.00 C ATOM 632 C LEU A 102 -6.301 -3.602 -7.661 1.00 0.00 C ATOM 633 O LEU A 102 -6.481 -3.646 -8.878 1.00 0.00 O ATOM 634 CB LEU A 102 -5.739 -1.268 -7.041 1.00 0.00 C ATOM 635 CG LEU A 102 -7.107 -1.096 -6.387 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.970 -0.795 -4.906 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.900 -0.016 -7.082 1.00 0.00 C ATOM 0 H LEU A 102 -3.996 -2.394 -8.715 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.037 -3.037 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.016 -0.645 -6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.790 -0.901 -8.066 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.649 -2.036 -6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.960 -0.677 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.449 -1.617 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.402 0.126 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.872 0.090 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.360 0.929 -7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.042 -0.285 -8.129 1.00 0.00 H new ATOM 649 N ASP A 103 -7.015 -4.307 -6.795 1.00 0.00 N ATOM 650 CA ASP A 103 -8.097 -5.171 -7.229 1.00 0.00 C ATOM 651 C ASP A 103 -9.343 -4.316 -7.393 1.00 0.00 C ATOM 652 O ASP A 103 -9.549 -3.369 -6.635 1.00 0.00 O ATOM 653 CB ASP A 103 -8.344 -6.285 -6.210 1.00 0.00 C ATOM 654 CG ASP A 103 -9.222 -7.395 -6.760 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.070 -7.738 -7.952 1.00 0.00 O ATOM 656 OD2 ASP A 103 -10.062 -7.921 -6.000 1.00 0.00 O ATOM 0 H ASP A 103 -6.862 -4.296 -5.787 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.837 -5.645 -8.175 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.388 -6.704 -5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.813 -5.862 -5.322 1.00 0.00 H new ATOM 661 N LYS A 104 -10.166 -4.631 -8.379 1.00 0.00 N ATOM 662 CA LYS A 104 -11.369 -3.847 -8.627 1.00 0.00 C ATOM 663 C LYS A 104 -12.609 -4.466 -7.984 1.00 0.00 C ATOM 664 O LYS A 104 -13.681 -3.864 -7.996 1.00 0.00 O ATOM 665 CB LYS A 104 -11.572 -3.676 -10.130 1.00 0.00 C ATOM 666 CG LYS A 104 -10.459 -2.881 -10.793 1.00 0.00 C ATOM 667 CD LYS A 104 -10.898 -1.459 -11.106 1.00 0.00 C ATOM 668 CE LYS A 104 -10.879 -1.191 -12.602 1.00 0.00 C ATOM 669 NZ LYS A 104 -11.693 -2.183 -13.357 1.00 0.00 N ATOM 0 H LYS A 104 -10.028 -5.415 -9.016 1.00 0.00 H new ATOM 0 HA LYS A 104 -11.229 -2.870 -8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.636 -4.659 -10.596 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.524 -3.176 -10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.588 -2.858 -10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.153 -3.379 -11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.903 -1.293 -10.717 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.240 -0.753 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.259 -0.188 -12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.850 -1.217 -12.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.078 -1.736 -14.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.095 -2.990 -13.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.476 -2.517 -12.759 1.00 0.00 H new ATOM 683 N SER A 105 -12.468 -5.664 -7.421 1.00 0.00 N ATOM 684 CA SER A 105 -13.592 -6.328 -6.769 1.00 0.00 C ATOM 685 C SER A 105 -13.776 -5.821 -5.336 1.00 0.00 C ATOM 686 O SER A 105 -14.640 -6.308 -4.606 1.00 0.00 O ATOM 687 CB SER A 105 -13.379 -7.842 -6.751 1.00 0.00 C ATOM 688 OG SER A 105 -12.502 -8.221 -5.704 1.00 0.00 O ATOM 0 H SER A 105 -11.594 -6.190 -7.403 1.00 0.00 H new ATOM 0 HA SER A 105 -14.491 -6.096 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 105 -14.338 -8.346 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.970 -8.166 -7.708 1.00 0.00 H new ATOM 0 HG SER A 105 -11.660 -8.548 -6.085 1.00 0.00 H new ATOM 694 N ALA A 106 -12.966 -4.840 -4.939 1.00 0.00 N ATOM 695 CA ALA A 106 -13.033 -4.284 -3.595 1.00 0.00 C ATOM 696 C ALA A 106 -14.252 -3.380 -3.422 1.00 0.00 C ATOM 697 O ALA A 106 -15.236 -3.497 -4.151 1.00 0.00 O ATOM 698 CB ALA A 106 -11.752 -3.516 -3.297 1.00 0.00 C ATOM 0 H ALA A 106 -12.255 -4.415 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.136 -5.107 -2.887 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.803 -3.100 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.899 -4.190 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.636 -2.707 -4.019 1.00 0.00 H new ATOM 704 N ARG A 107 -14.184 -2.501 -2.426 1.00 0.00 N ATOM 705 CA ARG A 107 -15.263 -1.561 -2.144 1.00 0.00 C ATOM 706 C ARG A 107 -14.740 -0.381 -1.331 1.00 0.00 C ATOM 707 O ARG A 107 -15.508 0.316 -0.667 1.00 0.00 O ATOM 708 CB ARG A 107 -16.372 -2.267 -1.366 1.00 0.00 C ATOM 709 CG ARG A 107 -17.746 -2.132 -1.994 1.00 0.00 C ATOM 710 CD ARG A 107 -18.626 -3.313 -1.629 1.00 0.00 C ATOM 711 NE ARG A 107 -17.940 -4.585 -1.872 1.00 0.00 N ATOM 712 CZ ARG A 107 -17.657 -5.500 -0.936 1.00 0.00 C ATOM 713 NH1 ARG A 107 -18.019 -5.333 0.334 1.00 0.00 N ATOM 714 NH2 ARG A 107 -17.004 -6.601 -1.280 1.00 0.00 N ATOM 0 H ARG A 107 -13.386 -2.421 -1.796 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.660 -1.190 -3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -16.125 -3.325 -1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.405 -1.864 -0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -18.214 -1.207 -1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -17.650 -2.066 -3.078 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.911 -3.246 -0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -19.546 -3.277 -2.212 1.00 0.00 H new ATOM 0 HE ARG A 107 -17.656 -4.790 -2.830 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.524 -4.492 0.614 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.791 -6.046 1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.722 -6.745 -2.250 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -16.783 -7.304 -0.575 1.00 0.00 H new ATOM 728 N HIS A 108 -13.433 -0.148 -1.402 1.00 0.00 N ATOM 729 CA HIS A 108 -12.810 0.925 -0.647 1.00 0.00 C ATOM 730 C HIS A 108 -11.335 1.056 -1.006 1.00 0.00 C ATOM 731 O HIS A 108 -10.798 0.262 -1.778 1.00 0.00 O ATOM 732 CB HIS A 108 -12.953 0.649 0.852 1.00 0.00 C ATOM 733 CG HIS A 108 -12.569 -0.750 1.239 1.00 0.00 C ATOM 734 ND1 HIS A 108 -11.262 -1.156 1.408 1.00 0.00 N ATOM 735 CD2 HIS A 108 -13.332 -1.843 1.490 1.00 0.00 C ATOM 736 CE1 HIS A 108 -11.236 -2.434 1.743 1.00 0.00 C ATOM 737 NE2 HIS A 108 -12.479 -2.874 1.800 1.00 0.00 N ATOM 0 H HIS A 108 -12.787 -0.690 -1.976 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.310 1.860 -0.898 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.333 1.354 1.405 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.985 0.830 1.151 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -14.410 -1.893 1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -10.349 -3.019 1.937 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -12.761 -3.826 2.036 1.00 0.00 H new ATOM 746 N LEU A 109 -10.688 2.066 -0.437 1.00 0.00 N ATOM 747 CA LEU A 109 -9.272 2.301 -0.679 1.00 0.00 C ATOM 748 C LEU A 109 -8.521 2.392 0.644 1.00 0.00 C ATOM 749 O LEU A 109 -8.005 3.447 1.011 1.00 0.00 O ATOM 750 CB LEU A 109 -9.072 3.579 -1.494 1.00 0.00 C ATOM 751 CG LEU A 109 -9.621 3.527 -2.922 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.733 4.927 -3.500 1.00 0.00 C ATOM 753 CD2 LEU A 109 -8.734 2.657 -3.801 1.00 0.00 C ATOM 0 H LEU A 109 -11.124 2.736 0.197 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.873 1.463 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.548 4.406 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.006 3.801 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.617 3.086 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.125 4.871 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.406 5.522 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.748 5.394 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.138 2.631 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.726 3.071 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.702 1.645 -3.397 1.00 0.00 H new ATOM 765 N TYR A 110 -8.479 1.274 1.358 1.00 0.00 N ATOM 766 CA TYR A 110 -7.797 1.200 2.643 1.00 0.00 C ATOM 767 C TYR A 110 -6.840 0.018 2.666 1.00 0.00 C ATOM 768 O TYR A 110 -7.255 -1.125 2.856 1.00 0.00 O ATOM 769 CB TYR A 110 -8.806 1.066 3.787 1.00 0.00 C ATOM 770 CG TYR A 110 -9.564 2.338 4.093 1.00 0.00 C ATOM 771 CD1 TYR A 110 -8.921 3.436 4.650 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.925 2.437 3.832 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.612 4.597 4.936 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.623 3.596 4.117 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.962 4.672 4.668 1.00 0.00 C ATOM 776 OH TYR A 110 -11.653 5.826 4.954 1.00 0.00 O ATOM 0 H TYR A 110 -8.914 0.399 1.065 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.233 2.123 2.779 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.520 0.281 3.537 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.280 0.744 4.686 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.864 3.381 4.863 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.446 1.595 3.400 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.097 5.442 5.368 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.681 3.658 3.909 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.594 5.714 4.704 1.00 0.00 H new ATOM 786 N ILE A 111 -5.560 0.298 2.460 1.00 0.00 N ATOM 787 CA ILE A 111 -4.548 -0.745 2.461 1.00 0.00 C ATOM 788 C ILE A 111 -4.130 -1.096 3.882 1.00 0.00 C ATOM 789 O ILE A 111 -4.548 -0.448 4.841 1.00 0.00 O ATOM 790 CB ILE A 111 -3.301 -0.318 1.664 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.672 0.925 2.293 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.662 -0.062 0.209 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.400 1.373 1.607 1.00 0.00 C ATOM 0 H ILE A 111 -5.200 1.237 2.291 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.992 -1.620 1.986 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.571 -1.127 1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.395 1.740 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.457 0.722 3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.770 0.239 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.069 -0.973 -0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.407 0.732 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.010 2.260 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.660 0.574 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.613 1.608 0.564 1.00 0.00 H new ATOM 805 N CYS A 112 -3.310 -2.129 4.012 1.00 0.00 N ATOM 806 CA CYS A 112 -2.830 -2.561 5.316 1.00 0.00 C ATOM 807 C CYS A 112 -1.603 -1.758 5.728 1.00 0.00 C ATOM 808 O CYS A 112 -1.110 -0.928 4.964 1.00 0.00 O ATOM 809 CB CYS A 112 -2.492 -4.053 5.286 1.00 0.00 C ATOM 810 SG CYS A 112 -1.314 -4.510 3.995 1.00 0.00 S ATOM 0 H CYS A 112 -2.963 -2.684 3.229 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.620 -2.390 6.048 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.085 -4.343 6.255 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.411 -4.621 5.143 1.00 0.00 H new ATOM 815 N ASP A 113 -1.117 -2.002 6.940 1.00 0.00 N ATOM 816 CA ASP A 113 0.062 -1.305 7.442 1.00 0.00 C ATOM 817 C ASP A 113 1.318 -1.818 6.750 1.00 0.00 C ATOM 818 O ASP A 113 2.233 -1.051 6.447 1.00 0.00 O ATOM 819 CB ASP A 113 0.186 -1.490 8.956 1.00 0.00 C ATOM 820 CG ASP A 113 -0.755 -0.588 9.730 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.980 -0.825 9.683 1.00 0.00 O ATOM 822 OD2 ASP A 113 -0.264 0.358 10.381 1.00 0.00 O ATOM 0 H ASP A 113 -1.520 -2.675 7.592 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.049 -0.243 7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.021 -2.530 9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.212 -1.286 9.261 1.00 0.00 H new ATOM 827 N TYR A 114 1.346 -3.121 6.497 1.00 0.00 N ATOM 828 CA TYR A 114 2.481 -3.758 5.840 1.00 0.00 C ATOM 829 C TYR A 114 2.897 -2.989 4.588 1.00 0.00 C ATOM 830 O TYR A 114 4.042 -2.551 4.472 1.00 0.00 O ATOM 831 CB TYR A 114 2.118 -5.208 5.486 1.00 0.00 C ATOM 832 CG TYR A 114 3.052 -5.870 4.495 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.355 -6.197 4.844 1.00 0.00 C ATOM 834 CD2 TYR A 114 2.621 -6.170 3.208 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.205 -6.805 3.938 1.00 0.00 C ATOM 836 CE2 TYR A 114 3.464 -6.777 2.297 1.00 0.00 C ATOM 837 CZ TYR A 114 4.754 -7.093 2.667 1.00 0.00 C ATOM 838 OH TYR A 114 5.596 -7.698 1.763 1.00 0.00 O ATOM 0 H TYR A 114 0.590 -3.761 6.739 1.00 0.00 H new ATOM 0 HA TYR A 114 3.329 -3.754 6.525 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.104 -5.799 6.402 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.107 -5.226 5.080 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.711 -5.973 5.839 1.00 0.00 H new ATOM 0 HD2 TYR A 114 1.611 -5.925 2.915 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.216 -7.053 4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.114 -7.003 1.300 1.00 0.00 H new ATOM 0 HH TYR A 114 5.279 -7.522 0.852 1.00 0.00 H new ATOM 848 N HIS A 115 1.966 -2.827 3.655 1.00 0.00 N ATOM 849 CA HIS A 115 2.252 -2.123 2.411 1.00 0.00 C ATOM 850 C HIS A 115 2.528 -0.639 2.648 1.00 0.00 C ATOM 851 O HIS A 115 3.382 -0.054 1.983 1.00 0.00 O ATOM 852 CB HIS A 115 1.104 -2.303 1.417 1.00 0.00 C ATOM 853 CG HIS A 115 1.156 -3.609 0.682 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.097 -4.482 0.691 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.158 -4.138 -0.063 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.472 -5.515 -0.043 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.714 -5.352 -0.521 1.00 0.00 N ATOM 0 H HIS A 115 1.010 -3.172 3.736 1.00 0.00 H new ATOM 0 HA HIS A 115 3.156 -2.560 1.988 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.156 -2.232 1.950 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.126 -1.487 0.695 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.121 -3.689 -0.258 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.144 -6.381 -0.234 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.229 -6.005 -1.111 1.00 0.00 H new ATOM 865 N LYS A 116 1.812 -0.028 3.589 1.00 0.00 N ATOM 866 CA LYS A 116 2.018 1.388 3.884 1.00 0.00 C ATOM 867 C LYS A 116 3.479 1.647 4.238 1.00 0.00 C ATOM 868 O LYS A 116 4.126 2.518 3.658 1.00 0.00 O ATOM 869 CB LYS A 116 1.125 1.852 5.039 1.00 0.00 C ATOM 870 CG LYS A 116 1.314 3.323 5.381 1.00 0.00 C ATOM 871 CD LYS A 116 0.605 3.707 6.671 1.00 0.00 C ATOM 872 CE LYS A 116 1.154 2.936 7.860 1.00 0.00 C ATOM 873 NZ LYS A 116 2.637 2.824 7.813 1.00 0.00 N ATOM 0 H LYS A 116 1.094 -0.483 4.153 1.00 0.00 H new ATOM 0 HA LYS A 116 1.752 1.953 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.081 1.676 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.339 1.249 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.378 3.539 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.935 3.936 4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.720 4.777 6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.463 3.513 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 116 0.857 3.433 8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 116 0.715 1.938 7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.003 2.658 8.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 2.906 2.030 7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.040 3.706 7.436 1.00 0.00 H new ATOM 887 N ASN A 117 3.986 0.878 5.194 1.00 0.00 N ATOM 888 CA ASN A 117 5.370 1.004 5.639 1.00 0.00 C ATOM 889 C ASN A 117 6.338 0.628 4.518 1.00 0.00 C ATOM 890 O ASN A 117 7.317 1.328 4.265 1.00 0.00 O ATOM 891 CB ASN A 117 5.599 0.103 6.863 1.00 0.00 C ATOM 892 CG ASN A 117 7.067 -0.078 7.209 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.755 -0.911 6.618 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.550 0.694 8.174 1.00 0.00 N ATOM 0 H ASN A 117 3.455 0.155 5.680 1.00 0.00 H new ATOM 0 HA ASN A 117 5.558 2.042 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 117 5.080 0.529 7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.154 -0.874 6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.528 0.610 8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.944 1.371 8.637 1.00 0.00 H new ATOM 901 N LEU A 118 6.050 -0.485 3.858 1.00 0.00 N ATOM 902 CA LEU A 118 6.889 -0.984 2.775 1.00 0.00 C ATOM 903 C LEU A 118 7.068 0.053 1.667 1.00 0.00 C ATOM 904 O LEU A 118 8.178 0.276 1.186 1.00 0.00 O ATOM 905 CB LEU A 118 6.269 -2.261 2.198 1.00 0.00 C ATOM 906 CG LEU A 118 7.219 -3.158 1.401 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.491 -4.403 0.915 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.818 -2.401 0.226 1.00 0.00 C ATOM 0 H LEU A 118 5.234 -1.065 4.055 1.00 0.00 H new ATOM 0 HA LEU A 118 7.876 -1.198 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.852 -2.844 3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.437 -1.979 1.552 1.00 0.00 H new ATOM 0 HG LEU A 118 8.032 -3.464 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.180 -5.030 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.112 -4.960 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.658 -4.111 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.490 -3.058 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.019 -2.062 -0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.375 -1.539 0.594 1.00 0.00 H new ATOM 920 N ILE A 119 5.974 0.698 1.278 1.00 0.00 N ATOM 921 CA ILE A 119 6.005 1.681 0.197 1.00 0.00 C ATOM 922 C ILE A 119 6.541 3.047 0.636 1.00 0.00 C ATOM 923 O ILE A 119 7.421 3.611 -0.014 1.00 0.00 O ATOM 924 CB ILE A 119 4.598 1.858 -0.413 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.080 0.515 -0.932 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.620 2.891 -1.530 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.643 0.558 -1.405 1.00 0.00 C ATOM 0 H ILE A 119 5.053 0.559 1.694 1.00 0.00 H new ATOM 0 HA ILE A 119 6.694 1.286 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 119 3.924 2.218 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.714 0.185 -1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.171 -0.229 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.618 2.999 -1.945 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.954 3.850 -1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.304 2.565 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.347 -0.430 -1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 119 1.997 0.857 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.549 1.278 -2.218 1.00 0.00 H new ATOM 939 N GLN A 120 6.010 3.576 1.730 1.00 0.00 N ATOM 940 CA GLN A 120 6.419 4.892 2.225 1.00 0.00 C ATOM 941 C GLN A 120 7.885 4.940 2.661 1.00 0.00 C ATOM 942 O GLN A 120 8.473 6.019 2.736 1.00 0.00 O ATOM 943 CB GLN A 120 5.548 5.299 3.416 1.00 0.00 C ATOM 944 CG GLN A 120 4.095 5.559 3.067 1.00 0.00 C ATOM 945 CD GLN A 120 3.279 5.979 4.276 1.00 0.00 C ATOM 946 OE1 GLN A 120 3.531 5.534 5.396 1.00 0.00 O ATOM 947 NE2 GLN A 120 2.302 6.851 4.056 1.00 0.00 N ATOM 0 H GLN A 120 5.295 3.117 2.295 1.00 0.00 H new ATOM 0 HA GLN A 120 6.293 5.583 1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.593 4.513 4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.968 6.198 3.867 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.040 6.337 2.306 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.661 4.658 2.633 1.00 0.00 H new ATOM 0 HE21 GLN A 120 2.128 7.194 3.111 1.00 0.00 H new ATOM 0 HE22 GLN A 120 1.726 7.178 4.832 1.00 0.00 H new ATOM 956 N SER A 121 8.479 3.783 2.931 1.00 0.00 N ATOM 957 CA SER A 121 9.856 3.738 3.427 1.00 0.00 C ATOM 958 C SER A 121 10.921 3.626 2.331 1.00 0.00 C ATOM 959 O SER A 121 11.877 2.865 2.473 1.00 0.00 O ATOM 960 CB SER A 121 10.009 2.581 4.411 1.00 0.00 C ATOM 961 OG SER A 121 11.211 2.701 5.152 1.00 0.00 O ATOM 0 H SER A 121 8.037 2.871 2.817 1.00 0.00 H new ATOM 0 HA SER A 121 10.030 4.696 3.917 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.158 2.563 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.004 1.635 3.869 1.00 0.00 H new ATOM 0 HG SER A 121 11.967 2.793 4.536 1.00 0.00 H new ATOM 967 N VAL A 122 10.773 4.390 1.255 1.00 0.00 N ATOM 968 CA VAL A 122 11.767 4.383 0.183 1.00 0.00 C ATOM 969 C VAL A 122 12.228 5.809 -0.098 1.00 0.00 C ATOM 970 O VAL A 122 13.424 6.071 -0.232 1.00 0.00 O ATOM 971 CB VAL A 122 11.234 3.726 -1.111 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.196 3.928 -2.280 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.996 2.243 -0.873 1.00 0.00 C ATOM 0 H VAL A 122 9.983 5.017 1.100 1.00 0.00 H new ATOM 0 HA VAL A 122 12.611 3.781 0.520 1.00 0.00 H new ATOM 0 HB VAL A 122 10.292 4.207 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.789 3.453 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.326 4.994 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 122 13.160 3.481 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.620 1.783 -1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.933 1.766 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.264 2.115 -0.076 1.00 0.00 H new ATOM 983 N ARG A 123 11.272 6.724 -0.196 1.00 0.00 N ATOM 984 CA ARG A 123 11.586 8.123 -0.431 1.00 0.00 C ATOM 985 C ARG A 123 11.567 8.883 0.886 1.00 0.00 C ATOM 986 O ARG A 123 10.772 9.802 1.080 1.00 0.00 O ATOM 987 CB ARG A 123 10.605 8.749 -1.422 1.00 0.00 C ATOM 988 CG ARG A 123 10.680 8.142 -2.813 1.00 0.00 C ATOM 989 CD ARG A 123 10.366 9.170 -3.889 1.00 0.00 C ATOM 990 NE ARG A 123 11.444 10.143 -4.051 1.00 0.00 N ATOM 991 CZ ARG A 123 11.329 11.259 -4.766 1.00 0.00 C ATOM 992 NH1 ARG A 123 10.182 11.549 -5.366 1.00 0.00 N ATOM 993 NH2 ARG A 123 12.358 12.087 -4.878 1.00 0.00 N ATOM 0 H ARG A 123 10.276 6.521 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 123 12.584 8.184 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.591 8.635 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.802 9.819 -1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.677 7.733 -2.979 1.00 0.00 H new ATOM 0 HG3 ARG A 123 9.978 7.311 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 123 10.193 8.661 -4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 123 9.443 9.691 -3.634 1.00 0.00 H new ATOM 0 HE ARG A 123 12.335 9.956 -3.590 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.387 10.916 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 123 10.095 12.405 -5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 123 13.241 11.869 -4.415 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.267 12.942 -5.427 1.00 0.00 H new ATOM 1007 N ASN A 124 12.447 8.476 1.792 1.00 0.00 N ATOM 1008 CA ASN A 124 12.557 9.104 3.108 1.00 0.00 C ATOM 1009 C ASN A 124 13.204 10.482 3.008 1.00 0.00 C ATOM 1010 O ASN A 124 14.229 10.747 3.635 1.00 0.00 O ATOM 1011 CB ASN A 124 13.360 8.210 4.064 1.00 0.00 C ATOM 1012 CG ASN A 124 14.533 7.523 3.385 1.00 0.00 C ATOM 1013 OD1 ASN A 124 14.379 6.452 2.796 1.00 0.00 O ATOM 1014 ND2 ASN A 124 15.708 8.135 3.461 1.00 0.00 N ATOM 0 H ASN A 124 13.101 7.708 1.640 1.00 0.00 H new ATOM 0 HA ASN A 124 11.549 9.229 3.504 1.00 0.00 H new ATOM 0 HB2 ASN A 124 13.729 8.813 4.894 1.00 0.00 H new ATOM 0 HB3 ASN A 124 12.699 7.454 4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 124 16.529 7.719 3.021 1.00 0.00 H new ATOM 0 HD22 ASN A 124 15.790 9.021 3.959 1.00 0.00 H new ATOM 1021 N ARG A 125 12.585 11.362 2.226 1.00 0.00 N ATOM 1022 CA ARG A 125 13.096 12.714 2.028 1.00 0.00 C ATOM 1023 C ARG A 125 12.182 13.731 2.699 1.00 0.00 C ATOM 1024 O ARG A 125 12.631 14.771 3.182 1.00 0.00 O ATOM 1025 CB ARG A 125 13.200 13.012 0.531 1.00 0.00 C ATOM 1026 CG ARG A 125 14.581 13.466 0.087 1.00 0.00 C ATOM 1027 CD ARG A 125 14.783 13.248 -1.404 1.00 0.00 C ATOM 1028 NE ARG A 125 13.818 14.005 -2.208 1.00 0.00 N ATOM 1029 CZ ARG A 125 14.117 15.059 -2.975 1.00 0.00 C ATOM 1030 NH1 ARG A 125 15.356 15.540 -3.041 1.00 0.00 N ATOM 1031 NH2 ARG A 125 13.158 15.647 -3.677 1.00 0.00 N ATOM 0 H ARG A 125 11.724 11.161 1.717 1.00 0.00 H new ATOM 0 HA ARG A 125 14.086 12.786 2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 125 12.926 12.117 -0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 125 12.474 13.783 0.273 1.00 0.00 H new ATOM 0 HG2 ARG A 125 14.712 14.522 0.323 1.00 0.00 H new ATOM 0 HG3 ARG A 125 15.342 12.918 0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 125 15.795 13.544 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 125 14.689 12.186 -1.631 1.00 0.00 H new ATOM 0 HE ARG A 125 12.844 13.704 -2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.102 15.104 -2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.560 16.345 -3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 125 12.202 15.295 -3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.376 16.451 -4.265 1.00 0.00 H new ATOM 1045 N ARG A 126 10.895 13.413 2.722 1.00 0.00 N ATOM 1046 CA ARG A 126 9.888 14.276 3.320 1.00 0.00 C ATOM 1047 C ARG A 126 8.868 13.428 4.080 1.00 0.00 C ATOM 1048 O ARG A 126 9.179 12.315 4.504 1.00 0.00 O ATOM 1049 CB ARG A 126 9.206 15.094 2.215 1.00 0.00 C ATOM 1050 CG ARG A 126 9.416 16.595 2.342 1.00 0.00 C ATOM 1051 CD ARG A 126 8.932 17.329 1.102 1.00 0.00 C ATOM 1052 NE ARG A 126 9.562 16.814 -0.118 1.00 0.00 N ATOM 1053 CZ ARG A 126 8.912 16.232 -1.135 1.00 0.00 C ATOM 1054 NH1 ARG A 126 7.594 16.048 -1.105 1.00 0.00 N ATOM 1055 NH2 ARG A 126 9.595 15.822 -2.196 1.00 0.00 N ATOM 0 H ARG A 126 10.521 12.550 2.327 1.00 0.00 H new ATOM 0 HA ARG A 126 10.356 14.962 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.583 14.765 1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.136 14.884 2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.883 16.966 3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.474 16.804 2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.849 17.231 1.021 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.149 18.393 1.202 1.00 0.00 H new ATOM 0 HE ARG A 126 10.575 16.906 -0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 126 7.055 16.353 -0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 126 7.123 15.602 -1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 126 10.606 15.951 -2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 126 9.109 15.378 -2.975 1.00 0.00 H new ATOM 1069 N LYS A 127 7.666 13.959 4.276 1.00 0.00 N ATOM 1070 CA LYS A 127 6.607 13.225 4.964 1.00 0.00 C ATOM 1071 C LYS A 127 6.870 13.111 6.461 1.00 0.00 C ATOM 1072 O LYS A 127 6.272 12.277 7.138 1.00 0.00 O ATOM 1073 CB LYS A 127 6.438 11.830 4.357 1.00 0.00 C ATOM 1074 CG LYS A 127 5.100 11.635 3.666 1.00 0.00 C ATOM 1075 CD LYS A 127 4.950 12.576 2.483 1.00 0.00 C ATOM 1076 CE LYS A 127 3.492 12.915 2.215 1.00 0.00 C ATOM 1077 NZ LYS A 127 3.349 13.915 1.121 1.00 0.00 N ATOM 0 H LYS A 127 7.400 14.894 3.969 1.00 0.00 H new ATOM 0 HA LYS A 127 5.685 13.791 4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 127 7.239 11.654 3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 127 6.545 11.083 5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 127 5.010 10.603 3.327 1.00 0.00 H new ATOM 0 HG3 LYS A 127 4.292 11.809 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 127 5.507 13.493 2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 127 5.386 12.117 1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 127 2.950 12.007 1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 127 3.036 13.304 3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 2.341 14.120 0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 3.845 14.791 1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 3.761 13.533 0.246 1.00 0.00 H new ATOM 1091 N ARG A 128 7.766 13.943 6.976 1.00 0.00 N ATOM 1092 CA ARG A 128 8.064 13.932 8.399 1.00 0.00 C ATOM 1093 C ARG A 128 8.043 15.359 8.944 1.00 0.00 C ATOM 1094 O ARG A 128 7.043 15.779 9.517 1.00 0.00 O ATOM 1095 CB ARG A 128 9.401 13.226 8.681 1.00 0.00 C ATOM 1096 CG ARG A 128 9.543 12.740 10.117 1.00 0.00 C ATOM 1097 CD ARG A 128 9.882 13.872 11.076 1.00 0.00 C ATOM 1098 NE ARG A 128 9.022 13.852 12.260 1.00 0.00 N ATOM 1099 CZ ARG A 128 9.393 14.284 13.466 1.00 0.00 C ATOM 1100 NH1 ARG A 128 10.606 14.785 13.663 1.00 0.00 N ATOM 1101 NH2 ARG A 128 8.540 14.218 14.479 1.00 0.00 N ATOM 0 H ARG A 128 8.294 14.627 6.434 1.00 0.00 H new ATOM 0 HA ARG A 128 7.294 13.361 8.918 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.502 12.376 8.007 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.219 13.911 8.456 1.00 0.00 H new ATOM 0 HG2 ARG A 128 8.614 12.265 10.432 1.00 0.00 H new ATOM 0 HG3 ARG A 128 10.322 11.979 10.166 1.00 0.00 H new ATOM 0 HD2 ARG A 128 10.925 13.790 11.382 1.00 0.00 H new ATOM 0 HD3 ARG A 128 9.774 14.828 10.564 1.00 0.00 H new ATOM 0 HE ARG A 128 8.077 13.483 12.156 1.00 0.00 H new ATOM 0 HH11 ARG A 128 11.266 14.843 12.887 1.00 0.00 H new ATOM 0 HH12 ARG A 128 10.878 15.112 14.590 1.00 0.00 H new ATOM 0 HH21 ARG A 128 7.605 13.838 14.334 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.819 14.547 15.403 1.00 0.00 H new ATOM 1115 N LYS A 129 9.127 16.109 8.725 1.00 0.00 N ATOM 1116 CA LYS A 129 9.243 17.493 9.191 1.00 0.00 C ATOM 1117 C LYS A 129 8.556 17.719 10.551 1.00 0.00 C ATOM 1118 O LYS A 129 9.198 17.616 11.596 1.00 0.00 O ATOM 1119 CB LYS A 129 8.700 18.449 8.119 1.00 0.00 C ATOM 1120 CG LYS A 129 9.235 19.863 8.243 1.00 0.00 C ATOM 1121 CD LYS A 129 10.693 19.937 7.819 1.00 0.00 C ATOM 1122 CE LYS A 129 10.854 19.698 6.326 1.00 0.00 C ATOM 1123 NZ LYS A 129 10.102 20.699 5.520 1.00 0.00 N ATOM 0 H LYS A 129 9.948 15.774 8.220 1.00 0.00 H new ATOM 0 HA LYS A 129 10.300 17.704 9.351 1.00 0.00 H new ATOM 0 HB2 LYS A 129 8.953 18.058 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 129 7.612 18.474 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 129 8.639 20.536 7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 129 9.135 20.204 9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 129 11.099 20.915 8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 129 11.271 19.196 8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 129 11.911 19.740 6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 129 10.504 18.696 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 10.465 20.704 4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 9.092 20.450 5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 10.223 21.643 5.939 1.00 0.00 H new ATOM 1137 N GLY A 130 7.255 18.012 10.536 1.00 0.00 N ATOM 1138 CA GLY A 130 6.527 18.246 11.767 1.00 0.00 C ATOM 1139 C GLY A 130 5.054 18.490 11.512 1.00 0.00 C ATOM 1140 O GLY A 130 4.669 19.559 11.038 1.00 0.00 O ATOM 0 H GLY A 130 6.694 18.091 9.688 1.00 0.00 H new ATOM 0 HA2 GLY A 130 6.644 17.387 12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 130 6.954 19.106 12.284 1.00 0.00 H new ATOM 1144 N SER A 131 4.227 17.494 11.814 1.00 0.00 N ATOM 1145 CA SER A 131 2.789 17.611 11.605 1.00 0.00 C ATOM 1146 C SER A 131 2.480 17.962 10.153 1.00 0.00 C ATOM 1147 O SER A 131 2.318 19.164 9.859 1.00 0.00 O ATOM 1148 CB SER A 131 2.203 18.675 12.535 1.00 0.00 C ATOM 1149 OG SER A 131 0.833 18.900 12.253 1.00 0.00 O ATOM 1150 OXT SER A 131 2.406 17.031 9.323 1.00 0.00 O ATOM 0 H SER A 131 4.527 16.600 12.203 1.00 0.00 H new ATOM 0 HA SER A 131 2.332 16.648 11.834 1.00 0.00 H new ATOM 0 HB2 SER A 131 2.317 18.359 13.572 1.00 0.00 H new ATOM 0 HB3 SER A 131 2.758 19.606 12.423 1.00 0.00 H new ATOM 0 HG SER A 131 0.482 19.583 12.862 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.207 -5.374 1.866 1.00 0.00 ZN