USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 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 68 CYS SG : rot 170:sc= -0.0453 USER MOD Set 1.2: A 108 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.0107 X(o=0.011,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.85) USER MOD Single : A 82 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 84 SER OG : rot -57:sc= 0.0183 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 155:sc= -0.0951 (180deg=-0.398) USER MOD Single : A 90 GLN : amide:sc= 0.0368 X(o=0.037,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -10:sc= 0.346 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.749 X(o=-0.75,f=-1.1) USER MOD Single : A 96 LYS NZ :NH3+ -152:sc= -0.816 (180deg=-2.34!) USER MOD Single : A 97 LYS NZ :NH3+ -121:sc= -0.0618 (180deg=-0.492) USER MOD Single : A 99 LYS NZ :NH3+ -164:sc= -0.0979 (180deg=-0.434) USER MOD Single : A 104 LYS NZ :NH3+ -163:sc= -0.0856 (180deg=-0.477) USER MOD Single : A 105 SER OG : rot -72:sc=0.000334 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 116 LYS NZ :NH3+ 151:sc= -0.908 (180deg=-1.43) USER MOD Single : A 117 ASN : amide:sc= 0.00641 K(o=0.0064,f=-1.2) USER MOD Single : A 120 GLN : amide:sc= -0.676 K(o=-0.68,f=-1.9!) USER MOD Single : A 121 SER OG : rot -110:sc= 1.24 USER MOD Single : A 124 ASN : amide:sc= -0.377 K(o=-0.38,f=-3.6!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0.0909 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -15.328 -0.852 15.121 1.00 0.00 N ATOM 2 CA SER A 61 -14.330 -1.585 14.308 1.00 0.00 C ATOM 3 C SER A 61 -14.739 -1.673 12.842 1.00 0.00 C ATOM 4 O SER A 61 -14.715 -2.751 12.246 1.00 0.00 O ATOM 5 CB SER A 61 -14.102 -2.990 14.866 1.00 0.00 C ATOM 6 OG SER A 61 -13.279 -2.949 16.018 1.00 0.00 O ATOM 0 HA SER A 61 -13.400 -1.020 14.364 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.060 -3.447 15.115 1.00 0.00 H new ATOM 0 HB3 SER A 61 -13.638 -3.617 14.105 1.00 0.00 H new ATOM 0 HG SER A 61 -13.148 -3.858 16.359 1.00 0.00 H new ATOM 14 N ASN A 62 -15.103 -0.534 12.255 1.00 0.00 N ATOM 15 CA ASN A 62 -15.453 -0.502 10.841 1.00 0.00 C ATOM 16 C ASN A 62 -14.197 -0.221 10.007 1.00 0.00 C ATOM 17 O ASN A 62 -14.279 0.237 8.869 1.00 0.00 O ATOM 18 CB ASN A 62 -16.533 0.540 10.549 1.00 0.00 C ATOM 19 CG ASN A 62 -17.668 -0.037 9.720 1.00 0.00 C ATOM 20 OD1 ASN A 62 -18.783 -0.218 10.211 1.00 0.00 O ATOM 21 ND2 ASN A 62 -17.386 -0.347 8.459 1.00 0.00 N ATOM 0 H ASN A 62 -15.162 0.366 12.731 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.861 -1.476 10.569 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.929 0.925 11.489 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.090 1.384 10.020 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.106 -0.751 7.860 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -16.450 -0.181 8.090 1.00 0.00 H new ATOM 28 N ALA A 63 -13.033 -0.481 10.609 1.00 0.00 N ATOM 29 CA ALA A 63 -11.753 -0.319 9.954 1.00 0.00 C ATOM 30 C ALA A 63 -10.940 -1.608 10.096 1.00 0.00 C ATOM 31 O ALA A 63 -9.737 -1.626 9.840 1.00 0.00 O ATOM 32 CB ALA A 63 -10.996 0.858 10.553 1.00 0.00 C ATOM 0 H ALA A 63 -12.963 -0.812 11.571 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.915 -0.115 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.035 0.967 10.050 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.579 1.770 10.423 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.831 0.681 11.616 1.00 0.00 H new ATOM 38 N GLY A 64 -11.610 -2.690 10.517 1.00 0.00 N ATOM 39 CA GLY A 64 -10.942 -3.963 10.686 1.00 0.00 C ATOM 40 C GLY A 64 -11.091 -4.844 9.467 1.00 0.00 C ATOM 41 O GLY A 64 -11.341 -6.045 9.578 1.00 0.00 O ATOM 0 H GLY A 64 -12.605 -2.698 10.742 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.884 -3.794 10.885 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.352 -4.475 11.556 1.00 0.00 H new ATOM 45 N GLN A 65 -10.948 -4.234 8.298 1.00 0.00 N ATOM 46 CA GLN A 65 -11.059 -4.949 7.036 1.00 0.00 C ATOM 47 C GLN A 65 -9.710 -5.534 6.644 1.00 0.00 C ATOM 48 O GLN A 65 -8.808 -5.641 7.476 1.00 0.00 O ATOM 49 CB GLN A 65 -11.561 -4.000 5.947 1.00 0.00 C ATOM 50 CG GLN A 65 -12.888 -3.345 6.279 1.00 0.00 C ATOM 51 CD GLN A 65 -14.008 -3.823 5.378 1.00 0.00 C ATOM 52 OE1 GLN A 65 -13.975 -4.945 4.871 1.00 0.00 O ATOM 53 NE2 GLN A 65 -15.006 -2.973 5.174 1.00 0.00 N ATOM 0 H GLN A 65 -10.753 -3.238 8.199 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.771 -5.766 7.151 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.814 -3.224 5.780 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.661 -4.553 5.013 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.145 -3.556 7.317 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.789 -2.263 6.189 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.991 -2.053 5.615 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.788 -3.239 4.576 1.00 0.00 H new ATOM 62 N LEU A 66 -9.573 -5.922 5.384 1.00 0.00 N ATOM 63 CA LEU A 66 -8.325 -6.481 4.910 1.00 0.00 C ATOM 64 C LEU A 66 -7.782 -5.722 3.710 1.00 0.00 C ATOM 65 O LEU A 66 -8.527 -5.073 2.975 1.00 0.00 O ATOM 66 CB LEU A 66 -8.483 -7.948 4.588 1.00 0.00 C ATOM 67 CG LEU A 66 -7.620 -8.823 5.478 1.00 0.00 C ATOM 68 CD1 LEU A 66 -8.155 -8.861 6.895 1.00 0.00 C ATOM 69 CD2 LEU A 66 -7.523 -10.202 4.928 1.00 0.00 C ATOM 0 H LEU A 66 -10.308 -5.859 4.679 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.598 -6.379 5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.529 -8.234 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.219 -8.120 3.545 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.622 -8.386 5.502 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.516 -9.496 7.508 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.167 -7.852 7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.168 -9.263 6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.900 -10.812 5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.519 -10.640 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.079 -10.167 3.933 1.00 0.00 H new ATOM 81 N CYS A 67 -6.471 -5.807 3.531 1.00 0.00 N ATOM 82 CA CYS A 67 -5.786 -5.134 2.436 1.00 0.00 C ATOM 83 C CYS A 67 -6.474 -5.405 1.099 1.00 0.00 C ATOM 84 O CYS A 67 -7.203 -6.386 0.952 1.00 0.00 O ATOM 85 CB CYS A 67 -4.331 -5.600 2.385 1.00 0.00 C ATOM 86 SG CYS A 67 -3.333 -4.788 1.121 1.00 0.00 S ATOM 0 H CYS A 67 -5.853 -6.344 4.140 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.821 -4.059 2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.873 -5.428 3.359 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.313 -6.676 2.210 1.00 0.00 H new ATOM 91 N CYS A 68 -6.236 -4.527 0.125 1.00 0.00 N ATOM 92 CA CYS A 68 -6.832 -4.669 -1.201 1.00 0.00 C ATOM 93 C CYS A 68 -5.773 -4.600 -2.297 1.00 0.00 C ATOM 94 O CYS A 68 -6.033 -4.122 -3.401 1.00 0.00 O ATOM 95 CB CYS A 68 -7.896 -3.593 -1.426 1.00 0.00 C ATOM 96 SG CYS A 68 -9.496 -3.981 -0.677 1.00 0.00 S ATOM 0 H CYS A 68 -5.634 -3.710 0.230 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.304 -5.650 -1.250 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.535 -2.648 -1.020 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.032 -3.449 -2.498 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.265 -2.934 -0.730 1.00 0.00 H new ATOM 102 N LEU A 69 -4.581 -5.089 -1.982 1.00 0.00 N ATOM 103 CA LEU A 69 -3.479 -5.114 -2.933 1.00 0.00 C ATOM 104 C LEU A 69 -3.077 -6.557 -3.197 1.00 0.00 C ATOM 105 O LEU A 69 -3.350 -7.441 -2.384 1.00 0.00 O ATOM 106 CB LEU A 69 -2.276 -4.327 -2.405 1.00 0.00 C ATOM 107 CG LEU A 69 -2.564 -2.878 -2.013 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.296 -2.202 -1.515 1.00 0.00 C ATOM 109 CD2 LEU A 69 -3.153 -2.112 -3.187 1.00 0.00 C ATOM 0 H LEU A 69 -4.352 -5.477 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.808 -4.644 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.875 -4.848 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.497 -4.332 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.296 -2.878 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.517 -1.171 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.917 -2.737 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.544 -2.213 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.351 -1.083 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.447 -2.119 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.084 -2.584 -3.499 1.00 0.00 H new ATOM 121 N ARG A 70 -2.430 -6.794 -4.326 1.00 0.00 N ATOM 122 CA ARG A 70 -2.008 -8.140 -4.686 1.00 0.00 C ATOM 123 C ARG A 70 -0.506 -8.204 -4.925 1.00 0.00 C ATOM 124 O ARG A 70 0.027 -7.482 -5.767 1.00 0.00 O ATOM 125 CB ARG A 70 -2.747 -8.599 -5.943 1.00 0.00 C ATOM 126 CG ARG A 70 -4.260 -8.507 -5.831 1.00 0.00 C ATOM 127 CD ARG A 70 -4.915 -8.492 -7.202 1.00 0.00 C ATOM 128 NE ARG A 70 -6.359 -8.717 -7.125 1.00 0.00 N ATOM 129 CZ ARG A 70 -6.943 -9.906 -7.271 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.219 -11.003 -7.469 1.00 0.00 N ATOM 131 NH2 ARG A 70 -8.265 -10.001 -7.205 1.00 0.00 N ATOM 0 H ARG A 70 -2.186 -6.076 -5.008 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.250 -8.802 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.417 -7.995 -6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.470 -9.631 -6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.636 -9.352 -5.255 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.532 -7.603 -5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.723 -7.534 -7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.462 -9.260 -7.828 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.958 -7.911 -6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.202 -10.942 -7.511 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.681 -11.906 -7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.829 -9.167 -7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.717 -10.908 -7.316 1.00 0.00 H new ATOM 145 N GLU A 71 0.173 -9.066 -4.179 1.00 0.00 N ATOM 146 CA GLU A 71 1.610 -9.233 -4.331 1.00 0.00 C ATOM 147 C GLU A 71 1.903 -10.356 -5.318 1.00 0.00 C ATOM 148 O GLU A 71 1.495 -11.499 -5.108 1.00 0.00 O ATOM 149 CB GLU A 71 2.266 -9.543 -2.985 1.00 0.00 C ATOM 150 CG GLU A 71 3.773 -9.712 -3.077 1.00 0.00 C ATOM 151 CD GLU A 71 4.301 -10.753 -2.111 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.613 -11.034 -1.107 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.399 -11.292 -2.360 1.00 0.00 O ATOM 0 H GLU A 71 -0.249 -9.659 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 71 2.025 -8.300 -4.712 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.039 -8.739 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.829 -10.454 -2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.042 -9.996 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.255 -8.756 -2.875 1.00 0.00 H new ATOM 160 N ASP A 72 2.606 -10.025 -6.397 1.00 0.00 N ATOM 161 CA ASP A 72 2.941 -11.009 -7.422 1.00 0.00 C ATOM 162 C ASP A 72 1.697 -11.772 -7.860 1.00 0.00 C ATOM 163 O ASP A 72 1.739 -12.983 -8.078 1.00 0.00 O ATOM 164 CB ASP A 72 4.001 -11.982 -6.905 1.00 0.00 C ATOM 165 CG ASP A 72 5.360 -11.325 -6.756 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.467 -10.352 -5.982 1.00 0.00 O ATOM 167 OD2 ASP A 72 6.317 -11.785 -7.414 1.00 0.00 O ATOM 0 H ASP A 72 2.954 -9.085 -6.584 1.00 0.00 H new ATOM 0 HA ASP A 72 3.345 -10.479 -8.284 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.685 -12.382 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.081 -12.826 -7.590 1.00 0.00 H new ATOM 172 N GLY A 73 0.588 -11.049 -7.989 1.00 0.00 N ATOM 173 CA GLY A 73 -0.656 -11.665 -8.402 1.00 0.00 C ATOM 174 C GLY A 73 -1.353 -12.407 -7.274 1.00 0.00 C ATOM 175 O GLY A 73 -2.433 -12.963 -7.472 1.00 0.00 O ATOM 0 H GLY A 73 0.531 -10.046 -7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.324 -10.897 -8.792 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.458 -12.359 -9.219 1.00 0.00 H new ATOM 179 N GLU A 74 -0.744 -12.418 -6.087 1.00 0.00 N ATOM 180 CA GLU A 74 -1.333 -13.108 -4.946 1.00 0.00 C ATOM 181 C GLU A 74 -1.847 -12.125 -3.898 1.00 0.00 C ATOM 182 O GLU A 74 -1.233 -11.090 -3.642 1.00 0.00 O ATOM 183 CB GLU A 74 -0.326 -14.071 -4.315 1.00 0.00 C ATOM 184 CG GLU A 74 -0.653 -15.535 -4.563 1.00 0.00 C ATOM 185 CD GLU A 74 -2.115 -15.853 -4.312 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.463 -16.193 -3.161 1.00 0.00 O ATOM 187 OE2 GLU A 74 -2.915 -15.751 -5.266 1.00 0.00 O ATOM 0 H GLU A 74 0.147 -11.961 -5.895 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.184 -13.680 -5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.667 -13.856 -4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.288 -13.892 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.400 -15.792 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.033 -16.157 -3.918 1.00 0.00 H new ATOM 194 N ARG A 75 -2.975 -12.475 -3.289 1.00 0.00 N ATOM 195 CA ARG A 75 -3.613 -11.638 -2.276 1.00 0.00 C ATOM 196 C ARG A 75 -2.729 -11.431 -1.047 1.00 0.00 C ATOM 197 O ARG A 75 -1.889 -12.269 -0.717 1.00 0.00 O ATOM 198 CB ARG A 75 -4.942 -12.264 -1.849 1.00 0.00 C ATOM 199 CG ARG A 75 -6.123 -11.837 -2.702 1.00 0.00 C ATOM 200 CD ARG A 75 -6.469 -10.376 -2.466 1.00 0.00 C ATOM 201 NE ARG A 75 -6.508 -10.053 -1.037 1.00 0.00 N ATOM 202 CZ ARG A 75 -7.618 -9.815 -0.332 1.00 0.00 C ATOM 203 NH1 ARG A 75 -8.822 -9.870 -0.893 1.00 0.00 N ATOM 204 NH2 ARG A 75 -7.519 -9.525 0.959 1.00 0.00 N ATOM 0 H ARG A 75 -3.473 -13.344 -3.482 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.782 -10.660 -2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.851 -13.349 -1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.141 -11.998 -0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.890 -11.993 -3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.987 -12.460 -2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.734 -9.743 -2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.437 -10.154 -2.916 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.618 -10.006 -0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.913 -10.098 -1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.654 -9.684 -0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.602 -9.485 1.404 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.360 -9.342 1.506 1.00 0.00 H new ATOM 218 N CYS A 76 -2.943 -10.301 -0.371 1.00 0.00 N ATOM 219 CA CYS A 76 -2.195 -9.959 0.837 1.00 0.00 C ATOM 220 C CYS A 76 -2.593 -10.897 1.982 1.00 0.00 C ATOM 221 O CYS A 76 -2.970 -12.043 1.741 1.00 0.00 O ATOM 222 CB CYS A 76 -2.471 -8.496 1.211 1.00 0.00 C ATOM 223 SG CYS A 76 -1.096 -7.661 2.041 1.00 0.00 S ATOM 0 H CYS A 76 -3.635 -9.603 -0.644 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.127 -10.079 0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.721 -7.944 0.305 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.347 -8.459 1.859 1.00 0.00 H new ATOM 228 N GLY A 77 -2.509 -10.419 3.226 1.00 0.00 N ATOM 229 CA GLY A 77 -2.870 -11.244 4.362 1.00 0.00 C ATOM 230 C GLY A 77 -2.758 -10.502 5.680 1.00 0.00 C ATOM 231 O GLY A 77 -2.233 -11.034 6.657 1.00 0.00 O ATOM 0 H GLY A 77 -2.198 -9.477 3.462 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.892 -11.602 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.225 -12.123 4.388 1.00 0.00 H new ATOM 235 N ARG A 78 -3.237 -9.265 5.699 1.00 0.00 N ATOM 236 CA ARG A 78 -3.212 -8.450 6.908 1.00 0.00 C ATOM 237 C ARG A 78 -4.359 -7.453 6.873 1.00 0.00 C ATOM 238 O ARG A 78 -4.789 -7.026 5.801 1.00 0.00 O ATOM 239 CB ARG A 78 -1.876 -7.723 7.059 1.00 0.00 C ATOM 240 CG ARG A 78 -1.457 -7.529 8.509 1.00 0.00 C ATOM 241 CD ARG A 78 -0.203 -6.679 8.627 1.00 0.00 C ATOM 242 NE ARG A 78 0.368 -6.727 9.973 1.00 0.00 N ATOM 243 CZ ARG A 78 1.321 -7.578 10.357 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.805 -8.481 9.511 1.00 0.00 N ATOM 245 NH2 ARG A 78 1.787 -7.533 11.598 1.00 0.00 N ATOM 0 H ARG A 78 -3.649 -8.802 4.889 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.329 -9.106 7.771 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.103 -8.286 6.537 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.943 -6.749 6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.269 -7.057 9.062 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.281 -8.501 8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.538 -7.025 7.906 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.440 -5.646 8.370 1.00 0.00 H new ATOM 0 HE ARG A 78 0.014 -6.066 10.664 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.448 -8.529 8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.534 -9.126 9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.417 -6.848 12.257 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.516 -8.183 11.893 1.00 0.00 H new ATOM 259 N ALA A 79 -4.858 -7.079 8.038 1.00 0.00 N ATOM 260 CA ALA A 79 -5.975 -6.153 8.107 1.00 0.00 C ATOM 261 C ALA A 79 -5.595 -4.767 7.582 1.00 0.00 C ATOM 262 O ALA A 79 -4.415 -4.428 7.482 1.00 0.00 O ATOM 263 CB ALA A 79 -6.494 -6.073 9.530 1.00 0.00 C ATOM 0 H ALA A 79 -4.511 -7.399 8.942 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.769 -6.531 7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.331 -5.377 9.573 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.826 -7.060 9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.698 -5.725 10.188 1.00 0.00 H new ATOM 269 N ALA A 80 -6.610 -3.973 7.243 1.00 0.00 N ATOM 270 CA ALA A 80 -6.399 -2.624 6.716 1.00 0.00 C ATOM 271 C ALA A 80 -6.185 -1.605 7.835 1.00 0.00 C ATOM 272 O ALA A 80 -6.599 -1.822 8.974 1.00 0.00 O ATOM 273 CB ALA A 80 -7.579 -2.213 5.848 1.00 0.00 C ATOM 0 H ALA A 80 -7.591 -4.242 7.324 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.493 -2.642 6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.413 -1.208 5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.679 -2.911 5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.491 -2.226 6.444 1.00 0.00 H new ATOM 279 N GLY A 81 -5.544 -0.484 7.495 1.00 0.00 N ATOM 280 CA GLY A 81 -5.275 0.547 8.483 1.00 0.00 C ATOM 281 C GLY A 81 -5.851 1.905 8.112 1.00 0.00 C ATOM 282 O GLY A 81 -6.720 2.007 7.247 1.00 0.00 O ATOM 0 H GLY A 81 -5.208 -0.275 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.687 0.236 9.443 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.197 0.641 8.614 1.00 0.00 H new ATOM 286 N ASN A 82 -5.348 2.949 8.769 1.00 0.00 N ATOM 287 CA ASN A 82 -5.817 4.315 8.539 1.00 0.00 C ATOM 288 C ASN A 82 -5.328 4.880 7.206 1.00 0.00 C ATOM 289 O ASN A 82 -5.844 5.891 6.730 1.00 0.00 O ATOM 290 CB ASN A 82 -5.363 5.218 9.688 1.00 0.00 C ATOM 291 CG ASN A 82 -5.903 6.630 9.570 1.00 0.00 C ATOM 292 OD1 ASN A 82 -5.172 7.562 9.232 1.00 0.00 O ATOM 293 ND2 ASN A 82 -7.192 6.793 9.843 1.00 0.00 N ATOM 0 H ASN A 82 -4.611 2.874 9.470 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.906 4.285 8.497 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.689 4.787 10.634 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.274 5.251 9.711 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.614 7.719 9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.760 5.992 10.119 1.00 0.00 H new ATOM 300 N ALA A 83 -4.335 4.233 6.606 1.00 0.00 N ATOM 301 CA ALA A 83 -3.792 4.693 5.333 1.00 0.00 C ATOM 302 C ALA A 83 -4.738 4.381 4.179 1.00 0.00 C ATOM 303 O ALA A 83 -5.425 3.359 4.182 1.00 0.00 O ATOM 304 CB ALA A 83 -2.428 4.068 5.083 1.00 0.00 C ATOM 0 H ALA A 83 -3.892 3.393 6.978 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.680 5.776 5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.035 4.421 4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.745 4.352 5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.524 2.983 5.057 1.00 0.00 H new ATOM 310 N SER A 84 -4.769 5.272 3.193 1.00 0.00 N ATOM 311 CA SER A 84 -5.626 5.093 2.026 1.00 0.00 C ATOM 312 C SER A 84 -4.803 5.127 0.743 1.00 0.00 C ATOM 313 O SER A 84 -3.863 5.911 0.616 1.00 0.00 O ATOM 314 CB SER A 84 -6.697 6.185 1.979 1.00 0.00 C ATOM 315 OG SER A 84 -7.498 6.169 3.147 1.00 0.00 O ATOM 0 H SER A 84 -4.210 6.125 3.179 1.00 0.00 H new ATOM 0 HA SER A 84 -6.110 4.120 2.108 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.221 7.160 1.875 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.327 6.042 1.101 1.00 0.00 H new ATOM 0 HG SER A 84 -7.909 5.285 3.249 1.00 0.00 H new ATOM 321 N PHE A 85 -5.160 4.267 -0.203 1.00 0.00 N ATOM 322 CA PHE A 85 -4.466 4.208 -1.482 1.00 0.00 C ATOM 323 C PHE A 85 -4.599 5.541 -2.209 1.00 0.00 C ATOM 324 O PHE A 85 -5.697 5.942 -2.593 1.00 0.00 O ATOM 325 CB PHE A 85 -5.044 3.080 -2.332 1.00 0.00 C ATOM 326 CG PHE A 85 -4.259 2.767 -3.574 1.00 0.00 C ATOM 327 CD1 PHE A 85 -3.120 1.980 -3.510 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.681 3.230 -4.809 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.415 1.665 -4.657 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.987 2.910 -5.958 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.854 2.127 -5.881 1.00 0.00 C ATOM 0 H PHE A 85 -5.927 3.601 -0.108 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.408 4.011 -1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.108 2.179 -1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -6.062 3.344 -2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.780 1.609 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.564 3.849 -4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.523 1.059 -4.595 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.330 3.272 -6.916 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.310 1.875 -6.779 1.00 0.00 H new ATOM 341 N SER A 86 -3.477 6.227 -2.385 1.00 0.00 N ATOM 342 CA SER A 86 -3.470 7.524 -3.050 1.00 0.00 C ATOM 343 C SER A 86 -2.600 7.491 -4.304 1.00 0.00 C ATOM 344 O SER A 86 -2.339 6.429 -4.863 1.00 0.00 O ATOM 345 CB SER A 86 -2.957 8.594 -2.087 1.00 0.00 C ATOM 346 OG SER A 86 -1.572 8.426 -1.836 1.00 0.00 O ATOM 0 H SER A 86 -2.559 5.907 -2.076 1.00 0.00 H new ATOM 0 HA SER A 86 -4.490 7.763 -3.350 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.137 9.584 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.510 8.540 -1.149 1.00 0.00 H new ATOM 0 HG SER A 86 -1.265 9.122 -1.219 1.00 0.00 H new ATOM 352 N LYS A 87 -2.222 8.673 -4.781 1.00 0.00 N ATOM 353 CA LYS A 87 -1.367 8.804 -5.957 1.00 0.00 C ATOM 354 C LYS A 87 0.114 8.604 -5.607 1.00 0.00 C ATOM 355 O LYS A 87 0.848 7.917 -6.318 1.00 0.00 O ATOM 356 CB LYS A 87 -1.579 10.174 -6.597 1.00 0.00 C ATOM 357 CG LYS A 87 -3.040 10.598 -6.657 1.00 0.00 C ATOM 358 CD LYS A 87 -3.759 9.995 -7.852 1.00 0.00 C ATOM 359 CE LYS A 87 -5.241 10.337 -7.834 1.00 0.00 C ATOM 360 NZ LYS A 87 -5.476 11.771 -7.507 1.00 0.00 N ATOM 0 H LYS A 87 -2.498 9.563 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.644 8.023 -6.665 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.016 10.919 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.171 10.161 -7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.544 10.294 -5.739 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.100 11.685 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.309 10.364 -8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.633 8.912 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.678 10.110 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.750 9.710 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.390 12.072 -7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.486 11.894 -6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.715 12.350 -7.917 1.00 0.00 H new ATOM 374 N ARG A 88 0.543 9.230 -4.509 1.00 0.00 N ATOM 375 CA ARG A 88 1.933 9.150 -4.050 1.00 0.00 C ATOM 376 C ARG A 88 2.394 7.704 -3.930 1.00 0.00 C ATOM 377 O ARG A 88 3.534 7.379 -4.265 1.00 0.00 O ATOM 378 CB ARG A 88 2.071 9.868 -2.701 1.00 0.00 C ATOM 379 CG ARG A 88 3.412 9.659 -2.012 1.00 0.00 C ATOM 380 CD ARG A 88 3.348 8.535 -0.988 1.00 0.00 C ATOM 381 NE ARG A 88 2.214 8.683 -0.077 1.00 0.00 N ATOM 382 CZ ARG A 88 2.180 9.548 0.934 1.00 0.00 C ATOM 383 NH1 ARG A 88 3.205 10.361 1.155 1.00 0.00 N ATOM 384 NH2 ARG A 88 1.114 9.604 1.722 1.00 0.00 N ATOM 0 H ARG A 88 -0.058 9.803 -3.916 1.00 0.00 H new ATOM 0 HA ARG A 88 2.569 9.639 -4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.918 10.936 -2.854 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.278 9.524 -2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.173 9.429 -2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.717 10.583 -1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.274 7.578 -1.505 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.274 8.516 -0.413 1.00 0.00 H new ATOM 0 HE ARG A 88 1.399 8.087 -0.225 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.024 10.325 0.549 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.174 11.022 1.931 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.322 8.984 1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.087 10.267 2.497 1.00 0.00 H new ATOM 398 N ILE A 89 1.511 6.841 -3.447 1.00 0.00 N ATOM 399 CA ILE A 89 1.840 5.434 -3.301 1.00 0.00 C ATOM 400 C ILE A 89 1.998 4.784 -4.671 1.00 0.00 C ATOM 401 O ILE A 89 2.844 3.913 -4.861 1.00 0.00 O ATOM 402 CB ILE A 89 0.773 4.696 -2.471 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.722 5.290 -1.063 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.069 3.203 -2.415 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.343 4.683 -0.181 1.00 0.00 C ATOM 0 H ILE A 89 0.567 7.090 -3.152 1.00 0.00 H new ATOM 0 HA ILE A 89 2.787 5.361 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.199 4.824 -2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.694 5.156 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.549 6.364 -1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.303 2.702 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.072 2.795 -3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.044 3.042 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.316 5.156 0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.322 4.840 -0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.160 3.614 -0.073 1.00 0.00 H new ATOM 417 N GLN A 90 1.187 5.224 -5.626 1.00 0.00 N ATOM 418 CA GLN A 90 1.261 4.708 -6.988 1.00 0.00 C ATOM 419 C GLN A 90 2.593 5.111 -7.604 1.00 0.00 C ATOM 420 O GLN A 90 3.277 4.310 -8.239 1.00 0.00 O ATOM 421 CB GLN A 90 0.108 5.267 -7.821 1.00 0.00 C ATOM 422 CG GLN A 90 -0.108 4.545 -9.141 1.00 0.00 C ATOM 423 CD GLN A 90 0.367 5.353 -10.334 1.00 0.00 C ATOM 424 OE1 GLN A 90 -0.379 6.163 -10.884 1.00 0.00 O ATOM 425 NE2 GLN A 90 1.610 5.132 -10.743 1.00 0.00 N ATOM 0 H GLN A 90 0.471 5.936 -5.483 1.00 0.00 H new ATOM 0 HA GLN A 90 1.184 3.621 -6.970 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.809 5.213 -7.235 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.297 6.322 -8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.420 3.592 -9.120 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.168 4.320 -9.258 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.193 4.451 -10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.982 5.643 -11.543 1.00 0.00 H new ATOM 434 N LYS A 91 2.943 6.374 -7.397 1.00 0.00 N ATOM 435 CA LYS A 91 4.187 6.934 -7.891 1.00 0.00 C ATOM 436 C LYS A 91 5.380 6.176 -7.310 1.00 0.00 C ATOM 437 O LYS A 91 6.269 5.737 -8.042 1.00 0.00 O ATOM 438 CB LYS A 91 4.245 8.413 -7.507 1.00 0.00 C ATOM 439 CG LYS A 91 3.830 9.364 -8.622 1.00 0.00 C ATOM 440 CD LYS A 91 4.937 9.570 -9.645 1.00 0.00 C ATOM 441 CE LYS A 91 4.688 10.823 -10.474 1.00 0.00 C ATOM 442 NZ LYS A 91 5.696 10.992 -11.557 1.00 0.00 N ATOM 0 H LYS A 91 2.368 7.038 -6.879 1.00 0.00 H new ATOM 0 HA LYS A 91 4.230 6.839 -8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.599 8.579 -6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.261 8.657 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.945 8.971 -9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.552 10.326 -8.192 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.897 9.652 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.997 8.702 -10.301 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.691 10.774 -10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.707 11.697 -9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.486 11.857 -12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.646 11.065 -11.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.661 10.171 -12.195 1.00 0.00 H new ATOM 456 N SER A 92 5.388 6.018 -5.986 1.00 0.00 N ATOM 457 CA SER A 92 6.463 5.301 -5.309 1.00 0.00 C ATOM 458 C SER A 92 6.597 3.888 -5.869 1.00 0.00 C ATOM 459 O SER A 92 7.705 3.396 -6.077 1.00 0.00 O ATOM 460 CB SER A 92 6.211 5.250 -3.801 1.00 0.00 C ATOM 461 OG SER A 92 4.939 4.700 -3.515 1.00 0.00 O ATOM 0 H SER A 92 4.663 6.377 -5.365 1.00 0.00 H new ATOM 0 HA SER A 92 7.395 5.837 -5.486 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.985 4.653 -3.320 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.278 6.255 -3.384 1.00 0.00 H new ATOM 0 HG SER A 92 4.427 4.612 -4.346 1.00 0.00 H new ATOM 467 N ILE A 93 5.460 3.237 -6.106 1.00 0.00 N ATOM 468 CA ILE A 93 5.457 1.891 -6.667 1.00 0.00 C ATOM 469 C ILE A 93 6.075 1.912 -8.063 1.00 0.00 C ATOM 470 O ILE A 93 6.831 1.015 -8.436 1.00 0.00 O ATOM 471 CB ILE A 93 4.021 1.311 -6.744 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.462 1.078 -5.339 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.991 0.010 -7.540 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.963 0.866 -5.315 1.00 0.00 C ATOM 0 H ILE A 93 4.533 3.619 -5.919 1.00 0.00 H new ATOM 0 HA ILE A 93 6.046 1.252 -6.009 1.00 0.00 H new ATOM 0 HB ILE A 93 3.396 2.040 -7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.951 0.208 -4.901 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.710 1.933 -4.711 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.970 -0.371 -7.576 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.345 0.196 -8.554 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.636 -0.725 -7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.634 0.707 -4.288 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.465 1.745 -5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.709 -0.007 -5.916 1.00 0.00 H new ATOM 486 N SER A 94 5.745 2.951 -8.822 1.00 0.00 N ATOM 487 CA SER A 94 6.254 3.109 -10.179 1.00 0.00 C ATOM 488 C SER A 94 7.763 3.321 -10.185 1.00 0.00 C ATOM 489 O SER A 94 8.455 2.879 -11.099 1.00 0.00 O ATOM 490 CB SER A 94 5.564 4.288 -10.867 1.00 0.00 C ATOM 491 OG SER A 94 6.246 4.655 -12.053 1.00 0.00 O ATOM 0 H SER A 94 5.123 3.700 -8.518 1.00 0.00 H new ATOM 0 HA SER A 94 6.036 2.191 -10.725 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.533 4.023 -11.103 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.526 5.139 -10.187 1.00 0.00 H new ATOM 0 HG SER A 94 5.785 5.410 -12.475 1.00 0.00 H new ATOM 497 N GLN A 95 8.270 4.005 -9.167 1.00 0.00 N ATOM 498 CA GLN A 95 9.700 4.263 -9.072 1.00 0.00 C ATOM 499 C GLN A 95 10.438 2.992 -8.674 1.00 0.00 C ATOM 500 O GLN A 95 11.554 2.738 -9.128 1.00 0.00 O ATOM 501 CB GLN A 95 9.975 5.386 -8.067 1.00 0.00 C ATOM 502 CG GLN A 95 11.121 6.300 -8.472 1.00 0.00 C ATOM 503 CD GLN A 95 11.015 6.767 -9.913 1.00 0.00 C ATOM 504 OE1 GLN A 95 11.581 6.153 -10.817 1.00 0.00 O ATOM 505 NE2 GLN A 95 10.279 7.850 -10.134 1.00 0.00 N ATOM 0 H GLN A 95 7.716 4.388 -8.401 1.00 0.00 H new ATOM 0 HA GLN A 95 10.064 4.582 -10.048 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.071 5.983 -7.946 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.199 4.946 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.139 7.168 -7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.066 5.775 -8.333 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.828 8.328 -9.354 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.165 8.204 -11.084 1.00 0.00 H new ATOM 514 N LYS A 96 9.802 2.194 -7.823 1.00 0.00 N ATOM 515 CA LYS A 96 10.379 0.933 -7.381 1.00 0.00 C ATOM 516 C LYS A 96 10.266 -0.103 -8.490 1.00 0.00 C ATOM 517 O LYS A 96 11.171 -0.909 -8.705 1.00 0.00 O ATOM 518 CB LYS A 96 9.648 0.415 -6.138 1.00 0.00 C ATOM 519 CG LYS A 96 9.630 1.391 -4.982 1.00 0.00 C ATOM 520 CD LYS A 96 8.381 1.223 -4.127 1.00 0.00 C ATOM 521 CE LYS A 96 8.503 0.059 -3.154 1.00 0.00 C ATOM 522 NZ LYS A 96 8.626 -1.252 -3.851 1.00 0.00 N ATOM 0 H LYS A 96 8.885 2.400 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 96 11.428 1.102 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.621 0.170 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.121 -0.511 -5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.517 1.242 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.675 2.411 -5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.197 2.142 -3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.518 1.065 -4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.374 0.212 -2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.630 0.041 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.242 -2.005 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.094 -1.222 -4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.628 -1.446 -4.051 1.00 0.00 H new ATOM 536 N LYS A 97 9.141 -0.056 -9.198 1.00 0.00 N ATOM 537 CA LYS A 97 8.862 -0.994 -10.276 1.00 0.00 C ATOM 538 C LYS A 97 8.699 -2.395 -9.709 1.00 0.00 C ATOM 539 O LYS A 97 9.587 -3.241 -9.825 1.00 0.00 O ATOM 540 CB LYS A 97 9.964 -0.953 -11.340 1.00 0.00 C ATOM 541 CG LYS A 97 9.995 0.357 -12.108 1.00 0.00 C ATOM 542 CD LYS A 97 9.916 0.134 -13.609 1.00 0.00 C ATOM 543 CE LYS A 97 11.281 -0.166 -14.202 1.00 0.00 C ATOM 544 NZ LYS A 97 12.205 0.996 -14.086 1.00 0.00 N ATOM 0 H LYS A 97 8.402 0.630 -9.040 1.00 0.00 H new ATOM 0 HA LYS A 97 7.930 -0.703 -10.762 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.930 -1.111 -10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.817 -1.775 -12.040 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.163 0.985 -11.790 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.911 0.897 -11.869 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.238 -0.693 -13.819 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.497 1.019 -14.087 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.716 -1.027 -13.695 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.169 -0.437 -15.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.521 1.284 -15.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.710 1.789 -13.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.030 0.728 -13.512 1.00 0.00 H new ATOM 558 N VAL A 98 7.553 -2.619 -9.074 1.00 0.00 N ATOM 559 CA VAL A 98 7.243 -3.901 -8.460 1.00 0.00 C ATOM 560 C VAL A 98 5.899 -4.431 -8.943 1.00 0.00 C ATOM 561 O VAL A 98 5.230 -3.801 -9.763 1.00 0.00 O ATOM 562 CB VAL A 98 7.217 -3.780 -6.926 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.616 -3.530 -6.385 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.270 -2.668 -6.497 1.00 0.00 C ATOM 0 H VAL A 98 6.818 -1.919 -8.972 1.00 0.00 H new ATOM 0 HA VAL A 98 8.026 -4.600 -8.754 1.00 0.00 H new ATOM 0 HB VAL A 98 6.854 -4.721 -6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.577 -3.447 -5.299 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.267 -4.359 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.009 -2.604 -6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.263 -2.595 -5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.604 -1.721 -6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.264 -2.890 -6.852 1.00 0.00 H new ATOM 574 N LYS A 99 5.502 -5.592 -8.427 1.00 0.00 N ATOM 575 CA LYS A 99 4.238 -6.204 -8.815 1.00 0.00 C ATOM 576 C LYS A 99 3.165 -5.989 -7.753 1.00 0.00 C ATOM 577 O LYS A 99 2.781 -6.920 -7.044 1.00 0.00 O ATOM 578 CB LYS A 99 4.424 -7.701 -9.071 1.00 0.00 C ATOM 579 CG LYS A 99 5.447 -8.007 -10.151 1.00 0.00 C ATOM 580 CD LYS A 99 4.869 -8.913 -11.226 1.00 0.00 C ATOM 581 CE LYS A 99 5.886 -9.195 -12.319 1.00 0.00 C ATOM 582 NZ LYS A 99 6.440 -7.941 -12.898 1.00 0.00 N ATOM 0 H LYS A 99 6.037 -6.125 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 99 3.908 -5.721 -9.735 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.730 -8.185 -8.144 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.466 -8.135 -9.356 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.789 -7.076 -10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.319 -8.483 -9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.545 -9.852 -10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.985 -8.446 -11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.699 -9.797 -11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.417 -9.783 -13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.910 -8.154 -13.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.668 -7.263 -13.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.129 -7.528 -12.237 1.00 0.00 H new ATOM 596 N ILE A 100 2.691 -4.754 -7.644 1.00 0.00 N ATOM 597 CA ILE A 100 1.650 -4.415 -6.684 1.00 0.00 C ATOM 598 C ILE A 100 0.627 -3.486 -7.324 1.00 0.00 C ATOM 599 O ILE A 100 0.919 -2.325 -7.609 1.00 0.00 O ATOM 600 CB ILE A 100 2.231 -3.744 -5.420 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.217 -4.686 -4.726 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.115 -3.346 -4.462 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.796 -4.118 -3.448 1.00 0.00 C ATOM 0 H ILE A 100 3.013 -3.969 -8.211 1.00 0.00 H new ATOM 0 HA ILE A 100 1.169 -5.346 -6.384 1.00 0.00 H new ATOM 0 HB ILE A 100 2.762 -2.841 -5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.713 -5.626 -4.501 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.031 -4.918 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.545 -2.875 -3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.444 -2.644 -4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.557 -4.234 -4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.486 -4.839 -3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.329 -3.193 -3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.990 -3.912 -2.743 1.00 0.00 H new ATOM 615 N GLU A 101 -0.570 -4.009 -7.555 1.00 0.00 N ATOM 616 CA GLU A 101 -1.634 -3.228 -8.165 1.00 0.00 C ATOM 617 C GLU A 101 -2.868 -3.213 -7.276 1.00 0.00 C ATOM 618 O GLU A 101 -2.920 -3.898 -6.254 1.00 0.00 O ATOM 619 CB GLU A 101 -1.985 -3.789 -9.543 1.00 0.00 C ATOM 620 CG GLU A 101 -2.476 -5.226 -9.503 1.00 0.00 C ATOM 621 CD GLU A 101 -3.856 -5.382 -10.108 1.00 0.00 C ATOM 622 OE1 GLU A 101 -4.684 -4.462 -9.940 1.00 0.00 O ATOM 623 OE2 GLU A 101 -4.108 -6.421 -10.753 1.00 0.00 O ATOM 0 H GLU A 101 -0.827 -4.970 -7.329 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.280 -2.204 -8.282 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.753 -3.163 -9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.106 -3.731 -10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.773 -5.862 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.494 -5.572 -8.470 1.00 0.00 H new ATOM 630 N LEU A 102 -3.865 -2.436 -7.674 1.00 0.00 N ATOM 631 CA LEU A 102 -5.091 -2.324 -6.903 1.00 0.00 C ATOM 632 C LEU A 102 -6.142 -3.331 -7.360 1.00 0.00 C ATOM 633 O LEU A 102 -6.414 -3.466 -8.553 1.00 0.00 O ATOM 634 CB LEU A 102 -5.660 -0.913 -7.016 1.00 0.00 C ATOM 635 CG LEU A 102 -6.989 -0.723 -6.299 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.803 0.018 -4.988 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.986 -0.006 -7.190 1.00 0.00 C ATOM 0 H LEU A 102 -3.848 -1.875 -8.526 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.841 -2.540 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.936 -0.207 -6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.789 -0.668 -8.070 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.389 -1.711 -6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.769 0.139 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.136 -0.551 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.370 0.999 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.928 0.118 -6.656 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.592 0.973 -7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.155 -0.593 -8.092 1.00 0.00 H new ATOM 649 N ASP A 103 -6.728 -4.039 -6.398 1.00 0.00 N ATOM 650 CA ASP A 103 -7.772 -5.007 -6.698 1.00 0.00 C ATOM 651 C ASP A 103 -9.000 -4.267 -7.208 1.00 0.00 C ATOM 652 O ASP A 103 -9.498 -3.355 -6.550 1.00 0.00 O ATOM 653 CB ASP A 103 -8.130 -5.819 -5.451 1.00 0.00 C ATOM 654 CG ASP A 103 -9.115 -6.937 -5.746 1.00 0.00 C ATOM 655 OD1 ASP A 103 -10.126 -6.672 -6.429 1.00 0.00 O ATOM 656 OD2 ASP A 103 -8.875 -8.075 -5.293 1.00 0.00 O ATOM 0 H ASP A 103 -6.497 -3.959 -5.408 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.412 -5.698 -7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.221 -6.243 -5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.555 -5.154 -4.699 1.00 0.00 H new ATOM 661 N LYS A 104 -9.482 -4.651 -8.380 1.00 0.00 N ATOM 662 CA LYS A 104 -10.638 -3.993 -8.976 1.00 0.00 C ATOM 663 C LYS A 104 -11.944 -4.423 -8.312 1.00 0.00 C ATOM 664 O LYS A 104 -12.895 -3.646 -8.241 1.00 0.00 O ATOM 665 CB LYS A 104 -10.681 -4.281 -10.475 1.00 0.00 C ATOM 666 CG LYS A 104 -9.462 -3.755 -11.218 1.00 0.00 C ATOM 667 CD LYS A 104 -9.438 -4.225 -12.663 1.00 0.00 C ATOM 668 CE LYS A 104 -9.224 -5.727 -12.757 1.00 0.00 C ATOM 669 NZ LYS A 104 -7.951 -6.148 -12.110 1.00 0.00 N ATOM 0 H LYS A 104 -9.093 -5.412 -8.937 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.533 -2.920 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.758 -5.357 -10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.579 -3.833 -10.900 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.461 -2.665 -11.190 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.556 -4.088 -10.712 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.377 -3.959 -13.149 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.643 -3.709 -13.201 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.060 -6.243 -12.284 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.216 -6.028 -13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.696 -7.103 -12.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.195 -5.482 -12.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.072 -6.154 -11.077 1.00 0.00 H new ATOM 683 N SER A 105 -11.987 -5.657 -7.821 1.00 0.00 N ATOM 684 CA SER A 105 -13.189 -6.167 -7.167 1.00 0.00 C ATOM 685 C SER A 105 -13.440 -5.445 -5.844 1.00 0.00 C ATOM 686 O SER A 105 -14.563 -5.433 -5.339 1.00 0.00 O ATOM 687 CB SER A 105 -13.073 -7.682 -6.939 1.00 0.00 C ATOM 688 OG SER A 105 -12.862 -7.994 -5.570 1.00 0.00 O ATOM 0 H SER A 105 -11.211 -6.318 -7.862 1.00 0.00 H new ATOM 0 HA SER A 105 -14.039 -5.977 -7.823 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.982 -8.173 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.249 -8.077 -7.533 1.00 0.00 H new ATOM 0 HG SER A 105 -11.949 -7.746 -5.315 1.00 0.00 H new ATOM 694 N ALA A 106 -12.391 -4.841 -5.287 1.00 0.00 N ATOM 695 CA ALA A 106 -12.502 -4.132 -4.017 1.00 0.00 C ATOM 696 C ALA A 106 -13.697 -3.192 -3.998 1.00 0.00 C ATOM 697 O ALA A 106 -14.356 -2.974 -5.016 1.00 0.00 O ATOM 698 CB ALA A 106 -11.225 -3.362 -3.713 1.00 0.00 C ATOM 0 H ALA A 106 -11.457 -4.829 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.654 -4.883 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.332 -2.842 -2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.387 -4.056 -3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.041 -2.636 -4.505 1.00 0.00 H new ATOM 704 N ARG A 107 -13.964 -2.635 -2.824 1.00 0.00 N ATOM 705 CA ARG A 107 -15.087 -1.723 -2.640 1.00 0.00 C ATOM 706 C ARG A 107 -14.618 -0.395 -2.051 1.00 0.00 C ATOM 707 O ARG A 107 -15.136 0.668 -2.390 1.00 0.00 O ATOM 708 CB ARG A 107 -16.144 -2.344 -1.711 1.00 0.00 C ATOM 709 CG ARG A 107 -16.076 -3.864 -1.593 1.00 0.00 C ATOM 710 CD ARG A 107 -17.445 -4.493 -1.756 1.00 0.00 C ATOM 711 NE ARG A 107 -18.089 -4.062 -2.992 1.00 0.00 N ATOM 712 CZ ARG A 107 -17.857 -4.613 -4.180 1.00 0.00 C ATOM 713 NH1 ARG A 107 -17.003 -5.620 -4.297 1.00 0.00 N ATOM 714 NH2 ARG A 107 -18.482 -4.153 -5.255 1.00 0.00 N ATOM 0 H ARG A 107 -13.415 -2.800 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.529 -1.542 -3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -16.034 -1.911 -0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -17.134 -2.065 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -15.400 -4.259 -2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -15.662 -4.137 -0.622 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.350 -5.579 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.072 -4.226 -0.906 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.757 -3.293 -2.942 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.519 -5.977 -3.473 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -16.830 -6.038 -5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -19.139 -3.378 -5.170 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -18.305 -4.574 -6.167 1.00 0.00 H new ATOM 728 N HIS A 108 -13.634 -0.470 -1.163 1.00 0.00 N ATOM 729 CA HIS A 108 -13.096 0.710 -0.506 1.00 0.00 C ATOM 730 C HIS A 108 -11.658 0.980 -0.939 1.00 0.00 C ATOM 731 O HIS A 108 -11.146 0.361 -1.872 1.00 0.00 O ATOM 732 CB HIS A 108 -13.141 0.504 1.009 1.00 0.00 C ATOM 733 CG HIS A 108 -12.291 -0.641 1.472 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.926 -0.671 1.306 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.616 -1.799 2.092 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.444 -1.795 1.804 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.449 -2.498 2.290 1.00 0.00 N ATOM 0 H HIS A 108 -13.191 -1.344 -0.881 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.703 1.570 -0.791 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.811 1.417 1.504 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.172 0.330 1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.608 -2.115 2.378 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.405 -2.089 1.812 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.373 -3.411 2.739 1.00 0.00 H new ATOM 746 N LEU A 109 -11.017 1.916 -0.247 1.00 0.00 N ATOM 747 CA LEU A 109 -9.631 2.272 -0.515 1.00 0.00 C ATOM 748 C LEU A 109 -8.875 2.413 0.802 1.00 0.00 C ATOM 749 O LEU A 109 -8.672 3.519 1.302 1.00 0.00 O ATOM 750 CB LEU A 109 -9.554 3.575 -1.313 1.00 0.00 C ATOM 751 CG LEU A 109 -10.285 3.559 -2.656 1.00 0.00 C ATOM 752 CD1 LEU A 109 -10.405 4.968 -3.214 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.567 2.653 -3.646 1.00 0.00 C ATOM 0 H LEU A 109 -11.443 2.447 0.513 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.172 1.482 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.964 4.380 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.505 3.812 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.289 3.165 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.928 4.937 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.964 5.590 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.410 5.388 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.102 2.655 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.551 3.017 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.532 1.638 -3.251 1.00 0.00 H new ATOM 765 N TYR A 110 -8.463 1.278 1.356 1.00 0.00 N ATOM 766 CA TYR A 110 -7.753 1.248 2.625 1.00 0.00 C ATOM 767 C TYR A 110 -6.788 0.075 2.650 1.00 0.00 C ATOM 768 O TYR A 110 -7.198 -1.078 2.790 1.00 0.00 O ATOM 769 CB TYR A 110 -8.731 1.122 3.798 1.00 0.00 C ATOM 770 CG TYR A 110 -9.755 2.234 3.882 1.00 0.00 C ATOM 771 CD1 TYR A 110 -9.440 3.455 4.466 1.00 0.00 C ATOM 772 CD2 TYR A 110 -11.040 2.056 3.387 1.00 0.00 C ATOM 773 CE1 TYR A 110 -10.378 4.468 4.551 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.983 3.063 3.469 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.647 4.266 4.051 1.00 0.00 C ATOM 776 OH TYR A 110 -12.584 5.270 4.136 1.00 0.00 O ATOM 0 H TYR A 110 -8.612 0.359 0.939 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.202 2.183 2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.254 0.169 3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.163 1.097 4.728 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -8.447 3.616 4.860 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.307 1.115 2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -10.118 5.412 5.007 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.978 2.908 3.079 1.00 0.00 H new ATOM 0 HH TYR A 110 -13.426 4.967 3.736 1.00 0.00 H new ATOM 786 N ILE A 111 -5.509 0.372 2.498 1.00 0.00 N ATOM 787 CA ILE A 111 -4.484 -0.659 2.503 1.00 0.00 C ATOM 788 C ILE A 111 -4.142 -1.081 3.925 1.00 0.00 C ATOM 789 O ILE A 111 -4.764 -0.627 4.886 1.00 0.00 O ATOM 790 CB ILE A 111 -3.204 -0.179 1.794 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.652 1.075 2.475 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.484 0.091 0.323 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.427 1.644 1.794 1.00 0.00 C ATOM 0 H ILE A 111 -5.155 1.320 2.369 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.888 -1.515 1.962 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.453 -0.966 1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.431 1.837 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.405 0.838 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.570 0.430 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.833 -0.824 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.250 0.862 0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.091 2.531 2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.632 0.898 1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.674 1.913 0.767 1.00 0.00 H new ATOM 805 N CYS A 112 -3.157 -1.960 4.052 1.00 0.00 N ATOM 806 CA CYS A 112 -2.725 -2.436 5.358 1.00 0.00 C ATOM 807 C CYS A 112 -1.440 -1.736 5.782 1.00 0.00 C ATOM 808 O CYS A 112 -0.811 -1.040 4.984 1.00 0.00 O ATOM 809 CB CYS A 112 -2.512 -3.950 5.325 1.00 0.00 C ATOM 810 SG CYS A 112 -1.378 -4.508 4.035 1.00 0.00 S ATOM 0 H CYS A 112 -2.642 -2.358 3.266 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.504 -2.205 6.085 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.131 -4.274 6.294 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.476 -4.439 5.182 1.00 0.00 H new ATOM 815 N ASP A 113 -1.060 -1.917 7.039 1.00 0.00 N ATOM 816 CA ASP A 113 0.155 -1.305 7.560 1.00 0.00 C ATOM 817 C ASP A 113 1.382 -1.950 6.925 1.00 0.00 C ATOM 818 O ASP A 113 2.415 -1.307 6.741 1.00 0.00 O ATOM 819 CB ASP A 113 0.207 -1.452 9.082 1.00 0.00 C ATOM 820 CG ASP A 113 1.069 -0.392 9.739 1.00 0.00 C ATOM 821 OD1 ASP A 113 0.655 0.787 9.746 1.00 0.00 O ATOM 822 OD2 ASP A 113 2.153 -0.740 10.251 1.00 0.00 O ATOM 0 H ASP A 113 -1.574 -2.481 7.716 1.00 0.00 H new ATOM 0 HA ASP A 113 0.150 -0.244 7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.804 -1.394 9.484 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.594 -2.439 9.335 1.00 0.00 H new ATOM 827 N TYR A 114 1.246 -3.227 6.582 1.00 0.00 N ATOM 828 CA TYR A 114 2.328 -3.983 5.964 1.00 0.00 C ATOM 829 C TYR A 114 2.826 -3.297 4.695 1.00 0.00 C ATOM 830 O TYR A 114 3.989 -2.905 4.607 1.00 0.00 O ATOM 831 CB TYR A 114 1.848 -5.401 5.640 1.00 0.00 C ATOM 832 CG TYR A 114 2.889 -6.271 4.970 1.00 0.00 C ATOM 833 CD1 TYR A 114 3.886 -6.890 5.713 1.00 0.00 C ATOM 834 CD2 TYR A 114 2.869 -6.477 3.596 1.00 0.00 C ATOM 835 CE1 TYR A 114 4.836 -7.690 5.106 1.00 0.00 C ATOM 836 CE2 TYR A 114 3.815 -7.277 2.983 1.00 0.00 C ATOM 837 CZ TYR A 114 4.795 -7.881 3.740 1.00 0.00 C ATOM 838 OH TYR A 114 5.737 -8.678 3.132 1.00 0.00 O ATOM 0 H TYR A 114 0.390 -3.763 6.723 1.00 0.00 H new ATOM 0 HA TYR A 114 3.158 -4.031 6.669 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.527 -5.884 6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 114 0.973 -5.337 4.993 1.00 0.00 H new ATOM 0 HD1 TYR A 114 3.920 -6.744 6.783 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.103 -6.005 2.998 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.606 -8.163 5.698 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.786 -7.428 1.914 1.00 0.00 H new ATOM 0 HH TYR A 114 5.566 -8.709 2.168 1.00 0.00 H new ATOM 848 N HIS A 115 1.937 -3.148 3.717 1.00 0.00 N ATOM 849 CA HIS A 115 2.296 -2.519 2.450 1.00 0.00 C ATOM 850 C HIS A 115 2.586 -1.030 2.621 1.00 0.00 C ATOM 851 O HIS A 115 3.483 -0.491 1.972 1.00 0.00 O ATOM 852 CB HIS A 115 1.189 -2.726 1.416 1.00 0.00 C ATOM 853 CG HIS A 115 1.232 -4.073 0.760 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.107 -4.849 0.642 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.281 -4.726 0.203 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.489 -5.948 0.017 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.799 -5.919 -0.269 1.00 0.00 N ATOM 0 H HIS A 115 0.966 -3.453 3.777 1.00 0.00 H new ATOM 0 HA HIS A 115 3.209 -2.997 2.095 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.221 -2.596 1.900 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.268 -1.954 0.650 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.300 -4.374 0.143 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.170 -6.766 -0.232 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.334 -6.645 -0.746 1.00 0.00 H new ATOM 865 N LYS A 116 1.829 -0.363 3.488 1.00 0.00 N ATOM 866 CA LYS A 116 2.035 1.062 3.720 1.00 0.00 C ATOM 867 C LYS A 116 3.483 1.335 4.106 1.00 0.00 C ATOM 868 O LYS A 116 4.152 2.170 3.501 1.00 0.00 O ATOM 869 CB LYS A 116 1.109 1.580 4.825 1.00 0.00 C ATOM 870 CG LYS A 116 1.170 3.092 4.994 1.00 0.00 C ATOM 871 CD LYS A 116 0.754 3.525 6.391 1.00 0.00 C ATOM 872 CE LYS A 116 1.758 3.070 7.439 1.00 0.00 C ATOM 873 NZ LYS A 116 3.163 3.269 6.986 1.00 0.00 N ATOM 0 H LYS A 116 1.076 -0.781 4.035 1.00 0.00 H new ATOM 0 HA LYS A 116 1.802 1.585 2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.084 1.287 4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.377 1.104 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.184 3.439 4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.520 3.566 4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.660 4.610 6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.228 3.113 6.623 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.593 3.623 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.595 2.016 7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.775 3.429 7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.486 2.423 6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.211 4.094 6.355 1.00 0.00 H new ATOM 887 N ASN A 117 3.959 0.614 5.115 1.00 0.00 N ATOM 888 CA ASN A 117 5.324 0.772 5.602 1.00 0.00 C ATOM 889 C ASN A 117 6.338 0.226 4.599 1.00 0.00 C ATOM 890 O ASN A 117 7.426 0.778 4.437 1.00 0.00 O ATOM 891 CB ASN A 117 5.478 0.058 6.948 1.00 0.00 C ATOM 892 CG ASN A 117 6.879 0.169 7.513 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.263 1.208 8.049 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.647 -0.910 7.410 1.00 0.00 N ATOM 0 H ASN A 117 3.415 -0.090 5.614 1.00 0.00 H new ATOM 0 HA ASN A 117 5.520 1.837 5.730 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.769 0.479 7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.222 -0.995 6.827 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.596 -0.898 7.783 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.288 -1.750 6.957 1.00 0.00 H new ATOM 901 N LEU A 118 5.967 -0.854 3.923 1.00 0.00 N ATOM 902 CA LEU A 118 6.842 -1.488 2.944 1.00 0.00 C ATOM 903 C LEU A 118 7.135 -0.559 1.764 1.00 0.00 C ATOM 904 O LEU A 118 8.251 -0.530 1.252 1.00 0.00 O ATOM 905 CB LEU A 118 6.195 -2.784 2.440 1.00 0.00 C ATOM 906 CG LEU A 118 7.154 -3.827 1.856 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.439 -5.156 1.669 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.735 -3.346 0.535 1.00 0.00 C ATOM 0 H LEU A 118 5.062 -1.311 4.035 1.00 0.00 H new ATOM 0 HA LEU A 118 7.790 -1.713 3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.651 -3.241 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.459 -2.528 1.678 1.00 0.00 H new ATOM 0 HG LEU A 118 7.976 -3.968 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.133 -5.887 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.072 -5.510 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.599 -5.024 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.413 -4.102 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.927 -3.174 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.282 -2.417 0.695 1.00 0.00 H new ATOM 920 N ILE A 119 6.133 0.212 1.353 1.00 0.00 N ATOM 921 CA ILE A 119 6.278 1.115 0.211 1.00 0.00 C ATOM 922 C ILE A 119 6.744 2.516 0.615 1.00 0.00 C ATOM 923 O ILE A 119 7.672 3.064 0.020 1.00 0.00 O ATOM 924 CB ILE A 119 4.944 1.222 -0.560 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.538 -0.155 -1.084 1.00 0.00 C ATOM 926 CG2 ILE A 119 5.047 2.222 -1.706 1.00 0.00 C ATOM 927 CD1 ILE A 119 3.263 -0.143 -1.899 1.00 0.00 C ATOM 0 H ILE A 119 5.212 0.231 1.791 1.00 0.00 H new ATOM 0 HA ILE A 119 7.049 0.685 -0.428 1.00 0.00 H new ATOM 0 HB ILE A 119 4.178 1.584 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.347 -0.554 -1.696 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.413 -0.833 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 119 4.092 2.275 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.298 3.206 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.824 1.901 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 119 3.038 -1.154 -2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.442 0.225 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 119 3.390 0.509 -2.763 1.00 0.00 H new ATOM 939 N GLN A 120 6.098 3.090 1.618 1.00 0.00 N ATOM 940 CA GLN A 120 6.423 4.440 2.076 1.00 0.00 C ATOM 941 C GLN A 120 7.872 4.590 2.542 1.00 0.00 C ATOM 942 O GLN A 120 8.476 5.646 2.351 1.00 0.00 O ATOM 943 CB GLN A 120 5.492 4.840 3.224 1.00 0.00 C ATOM 944 CG GLN A 120 4.159 5.389 2.769 1.00 0.00 C ATOM 945 CD GLN A 120 4.177 6.896 2.605 1.00 0.00 C ATOM 946 OE1 GLN A 120 4.598 7.415 1.572 1.00 0.00 O ATOM 947 NE2 GLN A 120 3.711 7.609 3.625 1.00 0.00 N ATOM 0 H GLN A 120 5.341 2.643 2.135 1.00 0.00 H new ATOM 0 HA GLN A 120 6.287 5.095 1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.318 3.970 3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.991 5.588 3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.884 4.927 1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.391 5.115 3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 120 3.371 7.138 4.464 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.693 8.627 3.569 1.00 0.00 H new ATOM 956 N SER A 121 8.436 3.539 3.128 1.00 0.00 N ATOM 957 CA SER A 121 9.792 3.624 3.677 1.00 0.00 C ATOM 958 C SER A 121 10.902 3.272 2.684 1.00 0.00 C ATOM 959 O SER A 121 12.058 3.130 3.084 1.00 0.00 O ATOM 960 CB SER A 121 9.912 2.739 4.917 1.00 0.00 C ATOM 961 OG SER A 121 9.846 1.368 4.575 1.00 0.00 O ATOM 0 H SER A 121 7.987 2.630 3.236 1.00 0.00 H new ATOM 0 HA SER A 121 9.939 4.673 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 121 10.855 2.945 5.424 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.113 2.981 5.618 1.00 0.00 H new ATOM 0 HG SER A 121 9.003 0.989 4.902 1.00 0.00 H new ATOM 967 N VAL A 122 10.580 3.132 1.405 1.00 0.00 N ATOM 968 CA VAL A 122 11.610 2.824 0.414 1.00 0.00 C ATOM 969 C VAL A 122 12.192 4.114 -0.163 1.00 0.00 C ATOM 970 O VAL A 122 13.325 4.137 -0.643 1.00 0.00 O ATOM 971 CB VAL A 122 11.076 1.914 -0.715 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.095 1.772 -1.841 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.721 0.550 -0.147 1.00 0.00 C ATOM 0 H VAL A 122 9.635 3.224 1.032 1.00 0.00 H new ATOM 0 HA VAL A 122 12.401 2.273 0.923 1.00 0.00 H new ATOM 0 HB VAL A 122 10.182 2.375 -1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.689 1.126 -2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.312 2.754 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 122 13.013 1.334 -1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.345 -0.090 -0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.609 0.097 0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.954 0.663 0.619 1.00 0.00 H new ATOM 983 N ARG A 123 11.405 5.183 -0.111 1.00 0.00 N ATOM 984 CA ARG A 123 11.847 6.483 -0.592 1.00 0.00 C ATOM 985 C ARG A 123 12.192 7.400 0.587 1.00 0.00 C ATOM 986 O ARG A 123 12.757 8.478 0.401 1.00 0.00 O ATOM 987 CB ARG A 123 10.766 7.126 -1.462 1.00 0.00 C ATOM 988 CG ARG A 123 10.266 6.215 -2.572 1.00 0.00 C ATOM 989 CD ARG A 123 9.533 6.997 -3.650 1.00 0.00 C ATOM 990 NE ARG A 123 10.412 7.952 -4.321 1.00 0.00 N ATOM 991 CZ ARG A 123 10.181 8.443 -5.534 1.00 0.00 C ATOM 992 NH1 ARG A 123 9.100 8.076 -6.209 1.00 0.00 N ATOM 993 NH2 ARG A 123 11.032 9.305 -6.073 1.00 0.00 N ATOM 0 H ARG A 123 10.455 5.173 0.261 1.00 0.00 H new ATOM 0 HA ARG A 123 12.742 6.340 -1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.925 7.413 -0.831 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.161 8.041 -1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.109 5.685 -3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 123 9.600 5.461 -2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 123 9.121 6.305 -4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.692 7.528 -3.205 1.00 0.00 H new ATOM 0 HE ARG A 123 11.251 8.260 -3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 123 8.442 7.414 -5.797 1.00 0.00 H new ATOM 0 HH12 ARG A 123 8.927 8.455 -7.140 1.00 0.00 H new ATOM 0 HH21 ARG A 123 11.864 9.591 -5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 123 10.855 9.682 -7.004 1.00 0.00 H new ATOM 1007 N ASN A 124 11.844 6.961 1.799 1.00 0.00 N ATOM 1008 CA ASN A 124 12.118 7.724 3.011 1.00 0.00 C ATOM 1009 C ASN A 124 12.231 6.776 4.204 1.00 0.00 C ATOM 1010 O ASN A 124 11.232 6.237 4.675 1.00 0.00 O ATOM 1011 CB ASN A 124 11.008 8.748 3.250 1.00 0.00 C ATOM 1012 CG ASN A 124 11.360 9.745 4.334 1.00 0.00 C ATOM 1013 OD1 ASN A 124 12.059 9.416 5.293 1.00 0.00 O ATOM 1014 ND2 ASN A 124 10.881 10.974 4.184 1.00 0.00 N ATOM 0 H ASN A 124 11.368 6.074 1.964 1.00 0.00 H new ATOM 0 HA ASN A 124 13.062 8.256 2.892 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.805 9.282 2.322 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.091 8.227 3.524 1.00 0.00 H new ATOM 0 HD21 ASN A 124 11.088 11.691 4.880 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.306 11.202 3.373 1.00 0.00 H new ATOM 1021 N ARG A 125 13.452 6.580 4.689 1.00 0.00 N ATOM 1022 CA ARG A 125 13.697 5.673 5.807 1.00 0.00 C ATOM 1023 C ARG A 125 13.328 6.290 7.155 1.00 0.00 C ATOM 1024 O ARG A 125 13.018 7.477 7.254 1.00 0.00 O ATOM 1025 CB ARG A 125 15.167 5.248 5.827 1.00 0.00 C ATOM 1026 CG ARG A 125 15.408 3.845 5.298 1.00 0.00 C ATOM 1027 CD ARG A 125 16.145 3.860 3.969 1.00 0.00 C ATOM 1028 NE ARG A 125 17.144 2.794 3.894 1.00 0.00 N ATOM 1029 CZ ARG A 125 17.527 2.202 2.764 1.00 0.00 C ATOM 1030 NH1 ARG A 125 17.013 2.573 1.598 1.00 0.00 N ATOM 1031 NH2 ARG A 125 18.434 1.236 2.802 1.00 0.00 N ATOM 0 H ARG A 125 14.289 7.037 4.326 1.00 0.00 H new ATOM 0 HA ARG A 125 13.056 4.804 5.656 1.00 0.00 H new ATOM 0 HB2 ARG A 125 15.748 5.954 5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 125 15.539 5.309 6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 125 15.985 3.276 6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 125 14.453 3.333 5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 125 15.430 3.747 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 125 16.632 4.826 3.833 1.00 0.00 H new ATOM 0 HE ARG A 125 17.576 2.484 4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.318 3.318 1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.313 2.113 0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 125 18.836 0.949 3.694 1.00 0.00 H new ATOM 0 HH22 ARG A 125 18.730 0.780 1.939 1.00 0.00 H new ATOM 1045 N ARG A 126 13.365 5.451 8.189 1.00 0.00 N ATOM 1046 CA ARG A 126 13.062 5.866 9.555 1.00 0.00 C ATOM 1047 C ARG A 126 14.052 5.207 10.514 1.00 0.00 C ATOM 1048 O ARG A 126 15.159 4.851 10.111 1.00 0.00 O ATOM 1049 CB ARG A 126 11.625 5.484 9.927 1.00 0.00 C ATOM 1050 CG ARG A 126 10.578 6.024 8.969 1.00 0.00 C ATOM 1051 CD ARG A 126 9.182 5.935 9.568 1.00 0.00 C ATOM 1052 NE ARG A 126 9.070 6.694 10.813 1.00 0.00 N ATOM 1053 CZ ARG A 126 7.916 6.950 11.422 1.00 0.00 C ATOM 1054 NH1 ARG A 126 6.777 6.522 10.897 1.00 0.00 N ATOM 1055 NH2 ARG A 126 7.901 7.637 12.556 1.00 0.00 N ATOM 0 H ARG A 126 13.606 4.464 8.102 1.00 0.00 H new ATOM 0 HA ARG A 126 13.154 6.950 9.629 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.546 4.397 9.962 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.410 5.852 10.930 1.00 0.00 H new ATOM 0 HG2 ARG A 126 10.806 7.062 8.725 1.00 0.00 H new ATOM 0 HG3 ARG A 126 10.612 5.462 8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.454 6.310 8.848 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.935 4.890 9.757 1.00 0.00 H new ATOM 0 HE ARG A 126 9.927 7.048 11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 126 6.784 5.995 10.024 1.00 0.00 H new ATOM 0 HH12 ARG A 126 5.893 6.720 11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 126 8.775 7.970 12.962 1.00 0.00 H new ATOM 0 HH22 ARG A 126 7.015 7.833 13.022 1.00 0.00 H new ATOM 1069 N LYS A 127 13.665 5.044 11.779 1.00 0.00 N ATOM 1070 CA LYS A 127 14.542 4.415 12.757 1.00 0.00 C ATOM 1071 C LYS A 127 13.756 3.620 13.798 1.00 0.00 C ATOM 1072 O LYS A 127 13.136 4.188 14.696 1.00 0.00 O ATOM 1073 CB LYS A 127 15.408 5.463 13.458 1.00 0.00 C ATOM 1074 CG LYS A 127 16.419 6.132 12.541 1.00 0.00 C ATOM 1075 CD LYS A 127 17.775 6.262 13.213 1.00 0.00 C ATOM 1076 CE LYS A 127 17.683 7.064 14.499 1.00 0.00 C ATOM 1077 NZ LYS A 127 18.717 6.650 15.487 1.00 0.00 N ATOM 0 H LYS A 127 12.759 5.337 12.145 1.00 0.00 H new ATOM 0 HA LYS A 127 15.182 3.721 12.212 1.00 0.00 H new ATOM 0 HB2 LYS A 127 14.761 6.227 13.890 1.00 0.00 H new ATOM 0 HB3 LYS A 127 15.938 4.990 14.285 1.00 0.00 H new ATOM 0 HG2 LYS A 127 16.520 5.552 11.624 1.00 0.00 H new ATOM 0 HG3 LYS A 127 16.056 7.120 12.256 1.00 0.00 H new ATOM 0 HD2 LYS A 127 18.172 5.270 13.429 1.00 0.00 H new ATOM 0 HD3 LYS A 127 18.476 6.744 12.531 1.00 0.00 H new ATOM 0 HE2 LYS A 127 17.799 8.124 14.275 1.00 0.00 H new ATOM 0 HE3 LYS A 127 16.692 6.937 14.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 18.620 7.221 16.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 18.591 5.645 15.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 19.663 6.795 15.080 1.00 0.00 H new ATOM 1091 N ARG A 128 13.781 2.301 13.653 1.00 0.00 N ATOM 1092 CA ARG A 128 13.108 1.408 14.592 1.00 0.00 C ATOM 1093 C ARG A 128 14.020 0.241 14.967 1.00 0.00 C ATOM 1094 O ARG A 128 14.012 -0.219 16.107 1.00 0.00 O ATOM 1095 CB ARG A 128 11.789 0.885 14.019 1.00 0.00 C ATOM 1096 CG ARG A 128 10.566 1.598 14.576 1.00 0.00 C ATOM 1097 CD ARG A 128 9.289 0.821 14.297 1.00 0.00 C ATOM 1098 NE ARG A 128 9.156 0.483 12.884 1.00 0.00 N ATOM 1099 CZ ARG A 128 8.894 1.376 11.936 1.00 0.00 C ATOM 1100 NH1 ARG A 128 8.737 2.654 12.250 1.00 0.00 N ATOM 1101 NH2 ARG A 128 8.790 0.990 10.672 1.00 0.00 N ATOM 0 H ARG A 128 14.262 1.823 12.891 1.00 0.00 H new ATOM 0 HA ARG A 128 12.880 1.983 15.490 1.00 0.00 H new ATOM 0 HB2 ARG A 128 11.803 0.995 12.935 1.00 0.00 H new ATOM 0 HB3 ARG A 128 11.707 -0.181 14.230 1.00 0.00 H new ATOM 0 HG2 ARG A 128 10.682 1.734 15.651 1.00 0.00 H new ATOM 0 HG3 ARG A 128 10.491 2.592 14.135 1.00 0.00 H new ATOM 0 HD2 ARG A 128 9.283 -0.093 14.891 1.00 0.00 H new ATOM 0 HD3 ARG A 128 8.429 1.412 14.612 1.00 0.00 H new ATOM 0 HE ARG A 128 9.270 -0.493 12.609 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.817 2.954 13.222 1.00 0.00 H new ATOM 0 HH12 ARG A 128 8.536 3.338 11.520 1.00 0.00 H new ATOM 0 HH21 ARG A 128 8.911 0.007 10.427 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.589 1.676 9.944 1.00 0.00 H new ATOM 1115 N LYS A 129 14.800 -0.239 14.000 1.00 0.00 N ATOM 1116 CA LYS A 129 15.722 -1.337 14.245 1.00 0.00 C ATOM 1117 C LYS A 129 14.970 -2.559 14.759 1.00 0.00 C ATOM 1118 O LYS A 129 15.503 -3.346 15.540 1.00 0.00 O ATOM 1119 CB LYS A 129 16.786 -0.909 15.258 1.00 0.00 C ATOM 1120 CG LYS A 129 17.344 0.484 15.005 1.00 0.00 C ATOM 1121 CD LYS A 129 18.194 0.959 16.173 1.00 0.00 C ATOM 1122 CE LYS A 129 18.621 2.411 16.007 1.00 0.00 C ATOM 1123 NZ LYS A 129 19.698 2.565 14.991 1.00 0.00 N ATOM 0 H LYS A 129 14.809 0.116 13.044 1.00 0.00 H new ATOM 0 HA LYS A 129 16.210 -1.600 13.306 1.00 0.00 H new ATOM 0 HB2 LYS A 129 16.357 -0.943 16.259 1.00 0.00 H new ATOM 0 HB3 LYS A 129 17.605 -1.628 15.238 1.00 0.00 H new ATOM 0 HG2 LYS A 129 17.944 0.478 14.095 1.00 0.00 H new ATOM 0 HG3 LYS A 129 16.523 1.183 14.842 1.00 0.00 H new ATOM 0 HD2 LYS A 129 17.632 0.849 17.100 1.00 0.00 H new ATOM 0 HD3 LYS A 129 19.078 0.328 16.260 1.00 0.00 H new ATOM 0 HE2 LYS A 129 17.759 3.011 15.715 1.00 0.00 H new ATOM 0 HE3 LYS A 129 18.969 2.798 16.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 19.958 3.569 14.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 20.531 2.014 15.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 19.359 2.220 14.070 1.00 0.00 H new ATOM 1137 N GLY A 130 13.727 -2.703 14.316 1.00 0.00 N ATOM 1138 CA GLY A 130 12.912 -3.828 14.731 1.00 0.00 C ATOM 1139 C GLY A 130 12.518 -4.719 13.566 1.00 0.00 C ATOM 1140 O GLY A 130 12.056 -5.842 13.766 1.00 0.00 O ATOM 0 H GLY A 130 13.268 -2.057 13.674 1.00 0.00 H new ATOM 0 HA2 GLY A 130 13.459 -4.417 15.467 1.00 0.00 H new ATOM 0 HA3 GLY A 130 12.012 -3.459 15.223 1.00 0.00 H new ATOM 1144 N SER A 131 12.694 -4.216 12.347 1.00 0.00 N ATOM 1145 CA SER A 131 12.359 -4.977 11.153 1.00 0.00 C ATOM 1146 C SER A 131 13.462 -5.975 10.818 1.00 0.00 C ATOM 1147 O SER A 131 14.352 -5.629 10.013 1.00 0.00 O ATOM 1148 CB SER A 131 12.126 -4.029 9.973 1.00 0.00 C ATOM 1149 OG SER A 131 12.997 -2.913 10.034 1.00 0.00 O ATOM 1150 OXT SER A 131 13.429 -7.096 11.368 1.00 0.00 O ATOM 0 H SER A 131 13.067 -3.285 12.163 1.00 0.00 H new ATOM 0 HA SER A 131 11.443 -5.534 11.347 1.00 0.00 H new ATOM 0 HB2 SER A 131 12.281 -4.564 9.036 1.00 0.00 H new ATOM 0 HB3 SER A 131 11.091 -3.687 9.977 1.00 0.00 H new ATOM 0 HG SER A 131 12.829 -2.325 9.269 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.287 -5.394 1.924 1.00 0.00 ZN