USER MOD reduce.3.24.130724 H: found=0, std=0, add=304, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 304 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 123 HIS HE2 : A 123 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 127 HIS HE2 : A 127 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 103 LYS NZ :NH3+ 157:sc= 0 (180deg=0) USER MOD Set 1.2: A 113 SER OG : rot 180:sc=0.000223 USER MOD Set 2.1: A 97 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 41:sc= 0.432 USER MOD Single : A 102 GLN : amide:sc= -2.43! C(o=-2.4!,f=-2.7!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.21) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.0306 X(o=-0.031,f=-0.52) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.83 X(o=-0.83,f=-1.1!) USER MOD Single : A 128 THR OG1 : rot -56:sc= 0.837 USER MOD Single : A 131 LYS NZ :NH3+ 157:sc= -0.0645 (180deg=-0.397) USER MOD Single : A 132 SER OG : rot 46:sc= 0.628 USER MOD Single : A 135 SER OG : rot 38:sc= 1.19 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 93 11.261 2.343 -20.668 1.00 0.00 N ATOM 2 CA GLY A 93 12.640 2.421 -20.223 1.00 0.00 C ATOM 3 C GLY A 93 13.464 1.233 -20.679 1.00 0.00 C ATOM 4 O GLY A 93 13.739 1.079 -21.869 1.00 0.00 O ATOM 0 HA2 GLY A 93 13.090 3.338 -20.603 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.665 2.480 -19.135 1.00 0.00 H new ATOM 8 N SER A 94 13.860 0.390 -19.730 1.00 0.00 N ATOM 9 CA SER A 94 14.663 -0.787 -20.040 1.00 0.00 C ATOM 10 C SER A 94 14.071 -2.034 -19.390 1.00 0.00 C ATOM 11 O SER A 94 13.137 -1.948 -18.592 1.00 0.00 O ATOM 12 CB SER A 94 16.104 -0.587 -19.568 1.00 0.00 C ATOM 13 OG SER A 94 16.648 0.615 -20.085 1.00 0.00 O ATOM 0 H SER A 94 13.638 0.500 -18.741 1.00 0.00 H new ATOM 0 HA SER A 94 14.659 -0.925 -21.121 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.133 -0.564 -18.479 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.715 -1.432 -19.885 1.00 0.00 H new ATOM 0 HG SER A 94 17.569 0.720 -19.767 1.00 0.00 H new ATOM 19 N SER A 95 14.621 -3.193 -19.738 1.00 0.00 N ATOM 20 CA SER A 95 14.146 -4.459 -19.193 1.00 0.00 C ATOM 21 C SER A 95 15.255 -5.168 -18.421 1.00 0.00 C ATOM 22 O SER A 95 16.433 -5.049 -18.754 1.00 0.00 O ATOM 23 CB SER A 95 13.633 -5.363 -20.316 1.00 0.00 C ATOM 24 OG SER A 95 13.176 -6.603 -19.804 1.00 0.00 O ATOM 0 H SER A 95 15.396 -3.281 -20.395 1.00 0.00 H new ATOM 0 HA SER A 95 13.327 -4.246 -18.506 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.822 -4.864 -20.847 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.429 -5.536 -21.040 1.00 0.00 H new ATOM 0 HG SER A 95 12.852 -7.162 -20.541 1.00 0.00 H new ATOM 30 N GLY A 96 14.867 -5.906 -17.385 1.00 0.00 N ATOM 31 CA GLY A 96 15.839 -6.624 -16.580 1.00 0.00 C ATOM 32 C GLY A 96 15.629 -8.125 -16.620 1.00 0.00 C ATOM 33 O GLY A 96 14.646 -8.606 -17.182 1.00 0.00 O ATOM 0 H GLY A 96 13.898 -6.020 -17.089 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.843 -6.391 -16.935 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.777 -6.279 -15.548 1.00 0.00 H new ATOM 37 N SER A 97 16.557 -8.866 -16.022 1.00 0.00 N ATOM 38 CA SER A 97 16.472 -10.321 -15.995 1.00 0.00 C ATOM 39 C SER A 97 15.580 -10.793 -14.851 1.00 0.00 C ATOM 40 O SER A 97 14.776 -11.711 -15.014 1.00 0.00 O ATOM 41 CB SER A 97 17.868 -10.932 -15.854 1.00 0.00 C ATOM 42 OG SER A 97 18.505 -10.479 -14.672 1.00 0.00 O ATOM 0 H SER A 97 17.376 -8.482 -15.550 1.00 0.00 H new ATOM 0 HA SER A 97 16.031 -10.652 -16.936 1.00 0.00 H new ATOM 0 HB2 SER A 97 17.793 -12.019 -15.837 1.00 0.00 H new ATOM 0 HB3 SER A 97 18.473 -10.668 -16.721 1.00 0.00 H new ATOM 0 HG SER A 97 19.394 -10.885 -14.604 1.00 0.00 H new ATOM 48 N SER A 98 15.727 -10.157 -13.693 1.00 0.00 N ATOM 49 CA SER A 98 14.938 -10.513 -12.520 1.00 0.00 C ATOM 50 C SER A 98 13.584 -9.812 -12.543 1.00 0.00 C ATOM 51 O SER A 98 13.508 -8.584 -12.544 1.00 0.00 O ATOM 52 CB SER A 98 15.694 -10.147 -11.241 1.00 0.00 C ATOM 53 OG SER A 98 16.913 -10.863 -11.146 1.00 0.00 O ATOM 0 H SER A 98 16.385 -9.393 -13.542 1.00 0.00 H new ATOM 0 HA SER A 98 14.770 -11.590 -12.538 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.896 -9.076 -11.228 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.072 -10.365 -10.373 1.00 0.00 H new ATOM 0 HG SER A 98 17.378 -10.610 -10.321 1.00 0.00 H new ATOM 59 N GLY A 99 12.515 -10.602 -12.561 1.00 0.00 N ATOM 60 CA GLY A 99 11.177 -10.041 -12.584 1.00 0.00 C ATOM 61 C GLY A 99 10.614 -9.827 -11.193 1.00 0.00 C ATOM 62 O GLY A 99 10.836 -8.784 -10.578 1.00 0.00 O ATOM 0 H GLY A 99 12.552 -11.621 -12.560 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.194 -9.090 -13.116 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.517 -10.706 -13.141 1.00 0.00 H new ATOM 66 N THR A 100 9.881 -10.818 -10.694 1.00 0.00 N ATOM 67 CA THR A 100 9.282 -10.733 -9.368 1.00 0.00 C ATOM 68 C THR A 100 10.025 -11.614 -8.371 1.00 0.00 C ATOM 69 O THR A 100 9.977 -12.840 -8.455 1.00 0.00 O ATOM 70 CB THR A 100 7.798 -11.147 -9.395 1.00 0.00 C ATOM 71 OG1 THR A 100 7.659 -12.434 -10.007 1.00 0.00 O ATOM 72 CG2 THR A 100 6.965 -10.126 -10.155 1.00 0.00 C ATOM 0 H THR A 100 9.688 -11.689 -11.189 1.00 0.00 H new ATOM 0 HA THR A 100 9.356 -9.692 -9.054 1.00 0.00 H new ATOM 0 HB THR A 100 7.438 -11.193 -8.367 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.384 -13.020 -9.705 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.921 -10.440 -10.161 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.049 -9.154 -9.669 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.327 -10.052 -11.180 1.00 0.00 H new ATOM 80 N GLY A 101 10.714 -10.980 -7.427 1.00 0.00 N ATOM 81 CA GLY A 101 11.458 -11.722 -6.426 1.00 0.00 C ATOM 82 C GLY A 101 10.831 -11.628 -5.049 1.00 0.00 C ATOM 83 O GLY A 101 9.650 -11.928 -4.877 1.00 0.00 O ATOM 0 H GLY A 101 10.770 -9.965 -7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.517 -12.769 -6.724 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.480 -11.344 -6.383 1.00 0.00 H new ATOM 87 N GLN A 102 11.624 -11.213 -4.067 1.00 0.00 N ATOM 88 CA GLN A 102 11.140 -11.083 -2.698 1.00 0.00 C ATOM 89 C GLN A 102 11.584 -9.757 -2.087 1.00 0.00 C ATOM 90 O GLN A 102 12.768 -9.421 -2.100 1.00 0.00 O ATOM 91 CB GLN A 102 11.645 -12.246 -1.843 1.00 0.00 C ATOM 92 CG GLN A 102 13.156 -12.415 -1.876 1.00 0.00 C ATOM 93 CD GLN A 102 13.666 -12.837 -3.240 1.00 0.00 C ATOM 94 OE1 GLN A 102 14.496 -12.156 -3.843 1.00 0.00 O ATOM 95 NE2 GLN A 102 13.172 -13.966 -3.734 1.00 0.00 N ATOM 0 H GLN A 102 12.604 -10.961 -4.194 1.00 0.00 H new ATOM 0 HA GLN A 102 10.050 -11.105 -2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.327 -12.092 -0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.177 -13.169 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 102 13.629 -11.476 -1.590 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.451 -13.159 -1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.486 -14.499 -3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.479 -14.300 -4.648 1.00 0.00 H new ATOM 104 N LYS A 103 10.626 -9.008 -1.552 1.00 0.00 N ATOM 105 CA LYS A 103 10.916 -7.719 -0.935 1.00 0.00 C ATOM 106 C LYS A 103 9.892 -7.391 0.147 1.00 0.00 C ATOM 107 O LYS A 103 8.790 -7.938 0.178 1.00 0.00 O ATOM 108 CB LYS A 103 10.927 -6.615 -1.994 1.00 0.00 C ATOM 109 CG LYS A 103 12.270 -6.448 -2.685 1.00 0.00 C ATOM 110 CD LYS A 103 12.372 -5.105 -3.389 1.00 0.00 C ATOM 111 CE LYS A 103 13.372 -5.151 -4.533 1.00 0.00 C ATOM 112 NZ LYS A 103 13.255 -3.961 -5.421 1.00 0.00 N ATOM 0 H LYS A 103 9.641 -9.272 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 103 11.901 -7.779 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 103 10.167 -6.835 -2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 103 10.649 -5.671 -1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 103 13.071 -6.537 -1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 103 12.410 -7.251 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 103 11.393 -4.818 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 103 12.671 -4.339 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 103 14.383 -5.205 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 103 13.213 -6.057 -5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 14.152 -3.816 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.490 -4.115 -6.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 13.042 -3.120 -4.848 1.00 0.00 H new ATOM 126 N PRO A 104 10.262 -6.475 1.054 1.00 0.00 N ATOM 127 CA PRO A 104 9.389 -6.052 2.153 1.00 0.00 C ATOM 128 C PRO A 104 8.200 -5.231 1.665 1.00 0.00 C ATOM 129 O PRO A 104 7.309 -4.888 2.443 1.00 0.00 O ATOM 130 CB PRO A 104 10.308 -5.195 3.027 1.00 0.00 C ATOM 131 CG PRO A 104 11.357 -4.694 2.095 1.00 0.00 C ATOM 132 CD PRO A 104 11.561 -5.782 1.078 1.00 0.00 C ATOM 0 HA PRO A 104 8.952 -6.902 2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 104 9.762 -4.372 3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.744 -5.781 3.836 1.00 0.00 H new ATOM 0 HG2 PRO A 104 11.043 -3.766 1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 104 12.283 -4.480 2.629 1.00 0.00 H new ATOM 0 HD2 PRO A 104 11.817 -5.375 0.100 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.370 -6.454 1.365 1.00 0.00 H new ATOM 140 N PHE A 105 8.192 -4.920 0.374 1.00 0.00 N ATOM 141 CA PHE A 105 7.112 -4.138 -0.218 1.00 0.00 C ATOM 142 C PHE A 105 6.914 -4.508 -1.685 1.00 0.00 C ATOM 143 O PHE A 105 7.724 -4.153 -2.540 1.00 0.00 O ATOM 144 CB PHE A 105 7.409 -2.642 -0.093 1.00 0.00 C ATOM 145 CG PHE A 105 7.882 -2.237 1.274 1.00 0.00 C ATOM 146 CD1 PHE A 105 6.974 -2.014 2.297 1.00 0.00 C ATOM 147 CD2 PHE A 105 9.233 -2.080 1.536 1.00 0.00 C ATOM 148 CE1 PHE A 105 7.406 -1.640 3.555 1.00 0.00 C ATOM 149 CE2 PHE A 105 9.671 -1.706 2.793 1.00 0.00 C ATOM 150 CZ PHE A 105 8.756 -1.487 3.804 1.00 0.00 C ATOM 0 H PHE A 105 8.921 -5.197 -0.283 1.00 0.00 H new ATOM 0 HA PHE A 105 6.193 -4.365 0.323 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.167 -2.368 -0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.508 -2.079 -0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 105 5.917 -2.134 2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.953 -2.252 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.688 -1.467 4.343 1.00 0.00 H new ATOM 0 HE2 PHE A 105 10.727 -1.585 2.984 1.00 0.00 H new ATOM 0 HZ PHE A 105 9.095 -1.197 4.787 1.00 0.00 H new ATOM 160 N GLU A 106 5.829 -5.224 -1.967 1.00 0.00 N ATOM 161 CA GLU A 106 5.525 -5.643 -3.330 1.00 0.00 C ATOM 162 C GLU A 106 4.149 -5.141 -3.759 1.00 0.00 C ATOM 163 O GLU A 106 3.212 -5.104 -2.961 1.00 0.00 O ATOM 164 CB GLU A 106 5.582 -7.168 -3.443 1.00 0.00 C ATOM 165 CG GLU A 106 5.710 -7.668 -4.871 1.00 0.00 C ATOM 166 CD GLU A 106 6.127 -9.124 -4.944 1.00 0.00 C ATOM 167 OE1 GLU A 106 5.627 -9.927 -4.129 1.00 0.00 O ATOM 168 OE2 GLU A 106 6.954 -9.461 -5.818 1.00 0.00 O ATOM 0 H GLU A 106 5.147 -5.525 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 106 6.274 -5.209 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.427 -7.536 -2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.681 -7.591 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.756 -7.541 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.441 -7.058 -5.402 1.00 0.00 H new ATOM 175 N CYS A 107 4.035 -4.755 -5.025 1.00 0.00 N ATOM 176 CA CYS A 107 2.776 -4.254 -5.562 1.00 0.00 C ATOM 177 C CYS A 107 1.912 -5.400 -6.082 1.00 0.00 C ATOM 178 O CYS A 107 1.800 -5.609 -7.291 1.00 0.00 O ATOM 179 CB CYS A 107 3.040 -3.249 -6.686 1.00 0.00 C ATOM 180 SG CYS A 107 1.595 -2.234 -7.130 1.00 0.00 S ATOM 0 H CYS A 107 4.800 -4.780 -5.699 1.00 0.00 H new ATOM 0 HA CYS A 107 2.239 -3.754 -4.756 1.00 0.00 H new ATOM 0 HB2 CYS A 107 3.855 -2.590 -6.386 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.376 -3.790 -7.571 1.00 0.00 H new ATOM 185 N THR A 108 1.303 -6.139 -5.161 1.00 0.00 N ATOM 186 CA THR A 108 0.450 -7.264 -5.525 1.00 0.00 C ATOM 187 C THR A 108 -0.353 -6.960 -6.785 1.00 0.00 C ATOM 188 O THR A 108 -0.620 -7.850 -7.593 1.00 0.00 O ATOM 189 CB THR A 108 -0.521 -7.625 -4.386 1.00 0.00 C ATOM 190 OG1 THR A 108 -1.404 -8.670 -4.807 1.00 0.00 O ATOM 191 CG2 THR A 108 -1.331 -6.409 -3.960 1.00 0.00 C ATOM 0 H THR A 108 1.384 -5.979 -4.157 1.00 0.00 H new ATOM 0 HA THR A 108 1.109 -8.112 -5.713 1.00 0.00 H new ATOM 0 HB THR A 108 0.065 -7.968 -3.533 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.017 -8.894 -4.076 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.010 -6.688 -3.154 1.00 0.00 H new ATOM 0 HG22 THR A 108 -0.657 -5.627 -3.612 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.907 -6.040 -4.809 1.00 0.00 H new ATOM 199 N HIS A 109 -0.735 -5.697 -6.947 1.00 0.00 N ATOM 200 CA HIS A 109 -1.507 -5.275 -8.110 1.00 0.00 C ATOM 201 C HIS A 109 -0.888 -5.813 -9.397 1.00 0.00 C ATOM 202 O HIS A 109 -1.541 -6.526 -10.161 1.00 0.00 O ATOM 203 CB HIS A 109 -1.588 -3.749 -8.169 1.00 0.00 C ATOM 204 CG HIS A 109 -2.578 -3.165 -7.209 1.00 0.00 C ATOM 205 ND1 HIS A 109 -3.877 -3.613 -7.102 1.00 0.00 N ATOM 206 CD2 HIS A 109 -2.451 -2.163 -6.308 1.00 0.00 C ATOM 207 CE1 HIS A 109 -4.508 -2.911 -6.178 1.00 0.00 C ATOM 208 NE2 HIS A 109 -3.665 -2.024 -5.680 1.00 0.00 N ATOM 0 H HIS A 109 -0.522 -4.948 -6.288 1.00 0.00 H new ATOM 0 HA HIS A 109 -2.514 -5.681 -8.014 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -0.603 -3.333 -7.960 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -1.854 -3.446 -9.182 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -1.561 -1.581 -6.118 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -5.538 -3.040 -5.880 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -3.880 -1.346 -4.949 1.00 0.00 H new ATOM 216 N CYS A 110 0.373 -5.468 -9.632 1.00 0.00 N ATOM 217 CA CYS A 110 1.080 -5.914 -10.826 1.00 0.00 C ATOM 218 C CYS A 110 2.237 -6.839 -10.459 1.00 0.00 C ATOM 219 O CYS A 110 2.446 -7.871 -11.096 1.00 0.00 O ATOM 220 CB CYS A 110 1.603 -4.712 -11.614 1.00 0.00 C ATOM 221 SG CYS A 110 2.714 -3.626 -10.662 1.00 0.00 S ATOM 0 H CYS A 110 0.927 -4.880 -9.010 1.00 0.00 H new ATOM 0 HA CYS A 110 0.378 -6.469 -11.448 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.132 -5.072 -12.496 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.755 -4.126 -11.968 1.00 0.00 H new ATOM 226 N GLY A 111 2.985 -6.461 -9.427 1.00 0.00 N ATOM 227 CA GLY A 111 4.111 -7.267 -8.993 1.00 0.00 C ATOM 228 C GLY A 111 5.379 -6.452 -8.831 1.00 0.00 C ATOM 229 O GLY A 111 6.469 -7.007 -8.686 1.00 0.00 O ATOM 0 H GLY A 111 2.831 -5.611 -8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 111 3.867 -7.746 -8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 111 4.284 -8.063 -9.717 1.00 0.00 H new ATOM 233 N LYS A 112 5.239 -5.131 -8.856 1.00 0.00 N ATOM 234 CA LYS A 112 6.381 -4.237 -8.711 1.00 0.00 C ATOM 235 C LYS A 112 6.893 -4.237 -7.274 1.00 0.00 C ATOM 236 O LYS A 112 6.184 -3.834 -6.352 1.00 0.00 O ATOM 237 CB LYS A 112 5.997 -2.815 -9.126 1.00 0.00 C ATOM 238 CG LYS A 112 7.187 -1.950 -9.506 1.00 0.00 C ATOM 239 CD LYS A 112 7.570 -2.138 -10.965 1.00 0.00 C ATOM 240 CE LYS A 112 8.615 -1.123 -11.402 1.00 0.00 C ATOM 241 NZ LYS A 112 9.379 -1.591 -12.592 1.00 0.00 N ATOM 0 H LYS A 112 4.345 -4.656 -8.976 1.00 0.00 H new ATOM 0 HA LYS A 112 7.178 -4.597 -9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.310 -2.865 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.459 -2.339 -8.306 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.949 -0.902 -9.323 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.037 -2.199 -8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.956 -3.146 -11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.683 -2.041 -11.591 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.127 -0.176 -11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.304 -0.934 -10.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.081 -0.872 -12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.865 -2.482 -12.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.725 -1.747 -13.385 1.00 0.00 H new ATOM 255 N SER A 113 8.129 -4.691 -7.091 1.00 0.00 N ATOM 256 CA SER A 113 8.735 -4.745 -5.766 1.00 0.00 C ATOM 257 C SER A 113 9.490 -3.455 -5.460 1.00 0.00 C ATOM 258 O SER A 113 9.850 -2.704 -6.366 1.00 0.00 O ATOM 259 CB SER A 113 9.684 -5.941 -5.665 1.00 0.00 C ATOM 260 OG SER A 113 10.810 -5.771 -6.507 1.00 0.00 O ATOM 0 H SER A 113 8.730 -5.027 -7.844 1.00 0.00 H new ATOM 0 HA SER A 113 7.937 -4.860 -5.033 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.013 -6.062 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.155 -6.853 -5.940 1.00 0.00 H new ATOM 0 HG SER A 113 11.402 -6.548 -6.423 1.00 0.00 H new ATOM 266 N PHE A 114 9.727 -3.206 -4.177 1.00 0.00 N ATOM 267 CA PHE A 114 10.438 -2.007 -3.749 1.00 0.00 C ATOM 268 C PHE A 114 11.225 -2.268 -2.469 1.00 0.00 C ATOM 269 O PHE A 114 11.000 -3.265 -1.782 1.00 0.00 O ATOM 270 CB PHE A 114 9.455 -0.855 -3.530 1.00 0.00 C ATOM 271 CG PHE A 114 8.757 -0.416 -4.786 1.00 0.00 C ATOM 272 CD1 PHE A 114 7.642 -1.096 -5.248 1.00 0.00 C ATOM 273 CD2 PHE A 114 9.215 0.677 -5.503 1.00 0.00 C ATOM 274 CE1 PHE A 114 6.998 -0.695 -6.404 1.00 0.00 C ATOM 275 CE2 PHE A 114 8.575 1.084 -6.659 1.00 0.00 C ATOM 276 CZ PHE A 114 7.465 0.397 -7.109 1.00 0.00 C ATOM 0 H PHE A 114 9.437 -3.819 -3.415 1.00 0.00 H new ATOM 0 HA PHE A 114 11.140 -1.732 -4.536 1.00 0.00 H new ATOM 0 HB2 PHE A 114 8.709 -1.159 -2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 114 9.991 -0.006 -3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 114 7.272 -1.949 -4.699 1.00 0.00 H new ATOM 0 HD2 PHE A 114 10.083 1.218 -5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 114 6.131 -1.235 -6.755 1.00 0.00 H new ATOM 0 HE2 PHE A 114 8.943 1.938 -7.209 1.00 0.00 H new ATOM 0 HZ PHE A 114 6.963 0.713 -8.011 1.00 0.00 H new ATOM 286 N ARG A 115 12.150 -1.367 -2.155 1.00 0.00 N ATOM 287 CA ARG A 115 12.972 -1.500 -0.958 1.00 0.00 C ATOM 288 C ARG A 115 12.240 -0.960 0.267 1.00 0.00 C ATOM 289 O ARG A 115 12.184 -1.616 1.307 1.00 0.00 O ATOM 290 CB ARG A 115 14.299 -0.761 -1.140 1.00 0.00 C ATOM 291 CG ARG A 115 15.398 -1.621 -1.741 1.00 0.00 C ATOM 292 CD ARG A 115 16.002 -2.557 -0.706 1.00 0.00 C ATOM 293 NE ARG A 115 17.005 -3.444 -1.289 1.00 0.00 N ATOM 294 CZ ARG A 115 17.912 -4.099 -0.573 1.00 0.00 C ATOM 295 NH1 ARG A 115 17.941 -3.968 0.746 1.00 0.00 N ATOM 296 NH2 ARG A 115 18.792 -4.888 -1.176 1.00 0.00 N ATOM 0 H ARG A 115 12.349 -0.537 -2.713 1.00 0.00 H new ATOM 0 HA ARG A 115 13.173 -2.560 -0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 115 14.137 0.106 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 115 14.632 -0.385 -0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 115 14.994 -2.204 -2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 115 16.178 -0.981 -2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 115 16.457 -1.970 0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 115 15.211 -3.153 -0.251 1.00 0.00 H new ATOM 0 HE ARG A 115 17.009 -3.567 -2.302 1.00 0.00 H new ATOM 0 HH11 ARG A 115 17.266 -3.363 1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 115 18.639 -4.472 1.293 1.00 0.00 H new ATOM 0 HH21 ARG A 115 18.772 -4.992 -2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 115 19.488 -5.390 -0.625 1.00 0.00 H new ATOM 310 N ALA A 116 11.683 0.239 0.136 1.00 0.00 N ATOM 311 CA ALA A 116 10.954 0.866 1.232 1.00 0.00 C ATOM 312 C ALA A 116 9.473 1.007 0.896 1.00 0.00 C ATOM 313 O ALA A 116 9.088 1.010 -0.273 1.00 0.00 O ATOM 314 CB ALA A 116 11.555 2.225 1.556 1.00 0.00 C ATOM 0 H ALA A 116 11.722 0.796 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 116 11.042 0.224 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 116 11.001 2.682 2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.598 2.101 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.497 2.867 0.677 1.00 0.00 H new ATOM 320 N LYS A 117 8.646 1.123 1.929 1.00 0.00 N ATOM 321 CA LYS A 117 7.206 1.266 1.745 1.00 0.00 C ATOM 322 C LYS A 117 6.889 2.438 0.823 1.00 0.00 C ATOM 323 O LYS A 117 6.380 2.252 -0.282 1.00 0.00 O ATOM 324 CB LYS A 117 6.515 1.464 3.096 1.00 0.00 C ATOM 325 CG LYS A 117 5.000 1.404 3.019 1.00 0.00 C ATOM 326 CD LYS A 117 4.503 -0.027 2.901 1.00 0.00 C ATOM 327 CE LYS A 117 2.995 -0.111 3.078 1.00 0.00 C ATOM 328 NZ LYS A 117 2.413 -1.267 2.342 1.00 0.00 N ATOM 0 H LYS A 117 8.948 1.121 2.903 1.00 0.00 H new ATOM 0 HA LYS A 117 6.832 0.352 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.866 0.700 3.789 1.00 0.00 H new ATOM 0 HB3 LYS A 117 6.811 2.428 3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.571 1.867 3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.655 1.982 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.779 -0.430 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.993 -0.646 3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.758 -0.199 4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.536 0.812 2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.384 -1.289 2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.617 -1.170 1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.832 -2.151 2.696 1.00 0.00 H new ATOM 342 N GLY A 118 7.194 3.648 1.284 1.00 0.00 N ATOM 343 CA GLY A 118 6.935 4.833 0.487 1.00 0.00 C ATOM 344 C GLY A 118 7.161 4.596 -0.993 1.00 0.00 C ATOM 345 O GLY A 118 6.233 4.700 -1.794 1.00 0.00 O ATOM 0 H GLY A 118 7.616 3.828 2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 118 5.907 5.157 0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 118 7.581 5.643 0.825 1.00 0.00 H new ATOM 349 N ASN A 119 8.400 4.280 -1.358 1.00 0.00 N ATOM 350 CA ASN A 119 8.745 4.031 -2.753 1.00 0.00 C ATOM 351 C ASN A 119 7.623 3.284 -3.466 1.00 0.00 C ATOM 352 O ASN A 119 7.167 3.697 -4.534 1.00 0.00 O ATOM 353 CB ASN A 119 10.045 3.228 -2.842 1.00 0.00 C ATOM 354 CG ASN A 119 11.273 4.090 -2.624 1.00 0.00 C ATOM 355 OD1 ASN A 119 11.373 5.195 -3.158 1.00 0.00 O ATOM 356 ND2 ASN A 119 12.217 3.587 -1.836 1.00 0.00 N ATOM 0 H ASN A 119 9.181 4.190 -0.708 1.00 0.00 H new ATOM 0 HA ASN A 119 8.885 4.994 -3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 119 10.028 2.430 -2.099 1.00 0.00 H new ATOM 0 HB3 ASN A 119 10.108 2.751 -3.820 1.00 0.00 H new ATOM 0 HD21 ASN A 119 13.066 4.121 -1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 119 12.092 2.667 -1.414 1.00 0.00 H new ATOM 363 N LEU A 120 7.181 2.182 -2.870 1.00 0.00 N ATOM 364 CA LEU A 120 6.110 1.377 -3.448 1.00 0.00 C ATOM 365 C LEU A 120 4.792 2.145 -3.452 1.00 0.00 C ATOM 366 O LEU A 120 4.117 2.234 -4.478 1.00 0.00 O ATOM 367 CB LEU A 120 5.950 0.071 -2.668 1.00 0.00 C ATOM 368 CG LEU A 120 4.625 -0.667 -2.860 1.00 0.00 C ATOM 369 CD1 LEU A 120 4.399 -0.986 -4.329 1.00 0.00 C ATOM 370 CD2 LEU A 120 4.598 -1.940 -2.026 1.00 0.00 C ATOM 0 H LEU A 120 7.547 1.825 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 120 6.378 1.147 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.761 -0.600 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.072 0.288 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 120 3.818 -0.017 -2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.451 -1.511 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.374 -0.060 -4.903 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.210 -1.616 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.648 -2.452 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.415 -2.593 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.712 -1.687 -0.972 1.00 0.00 H new ATOM 382 N VAL A 121 4.433 2.700 -2.299 1.00 0.00 N ATOM 383 CA VAL A 121 3.198 3.464 -2.170 1.00 0.00 C ATOM 384 C VAL A 121 3.029 4.436 -3.332 1.00 0.00 C ATOM 385 O VAL A 121 1.959 4.522 -3.935 1.00 0.00 O ATOM 386 CB VAL A 121 3.160 4.251 -0.847 1.00 0.00 C ATOM 387 CG1 VAL A 121 1.891 5.085 -0.757 1.00 0.00 C ATOM 388 CG2 VAL A 121 3.271 3.305 0.339 1.00 0.00 C ATOM 0 H VAL A 121 4.980 2.635 -1.441 1.00 0.00 H new ATOM 0 HA VAL A 121 2.379 2.745 -2.180 1.00 0.00 H new ATOM 0 HB VAL A 121 4.013 4.929 -0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.882 5.634 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.859 5.790 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.021 4.430 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.242 3.878 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.439 2.601 0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.211 2.757 0.280 1.00 0.00 H new ATOM 398 N THR A 122 4.094 5.168 -3.644 1.00 0.00 N ATOM 399 CA THR A 122 4.065 6.135 -4.734 1.00 0.00 C ATOM 400 C THR A 122 3.792 5.452 -6.068 1.00 0.00 C ATOM 401 O THR A 122 3.120 6.009 -6.937 1.00 0.00 O ATOM 402 CB THR A 122 5.390 6.914 -4.830 1.00 0.00 C ATOM 403 OG1 THR A 122 5.452 7.906 -3.800 1.00 0.00 O ATOM 404 CG2 THR A 122 5.530 7.579 -6.191 1.00 0.00 C ATOM 0 H THR A 122 4.988 5.109 -3.157 1.00 0.00 H new ATOM 0 HA THR A 122 3.257 6.833 -4.515 1.00 0.00 H new ATOM 0 HB THR A 122 6.210 6.208 -4.702 1.00 0.00 H new ATOM 0 HG1 THR A 122 6.298 8.395 -3.868 1.00 0.00 H new ATOM 0 HG21 THR A 122 6.473 8.123 -6.235 1.00 0.00 H new ATOM 0 HG22 THR A 122 5.513 6.818 -6.971 1.00 0.00 H new ATOM 0 HG23 THR A 122 4.704 8.273 -6.344 1.00 0.00 H new ATOM 412 N HIS A 123 4.317 4.240 -6.226 1.00 0.00 N ATOM 413 CA HIS A 123 4.128 3.479 -7.456 1.00 0.00 C ATOM 414 C HIS A 123 2.663 3.096 -7.638 1.00 0.00 C ATOM 415 O HIS A 123 2.097 3.266 -8.718 1.00 0.00 O ATOM 416 CB HIS A 123 4.998 2.222 -7.441 1.00 0.00 C ATOM 417 CG HIS A 123 4.499 1.138 -8.345 1.00 0.00 C ATOM 418 ND1 HIS A 123 4.857 1.040 -9.673 1.00 0.00 N ATOM 419 CD2 HIS A 123 3.665 0.099 -8.105 1.00 0.00 C ATOM 420 CE1 HIS A 123 4.264 -0.011 -10.211 1.00 0.00 C ATOM 421 NE2 HIS A 123 3.535 -0.599 -9.280 1.00 0.00 N ATOM 0 H HIS A 123 4.876 3.765 -5.518 1.00 0.00 H new ATOM 0 HA HIS A 123 4.427 4.109 -8.294 1.00 0.00 H new ATOM 0 HB2 HIS A 123 6.013 2.489 -7.734 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.051 1.839 -6.422 1.00 0.00 H new ATOM 0 HD1 HIS A 123 5.482 1.679 -10.164 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.190 -0.137 -7.164 1.00 0.00 H new ATOM 0 HE1 HIS A 123 4.359 -0.334 -11.237 1.00 0.00 H new ATOM 429 N GLN A 124 2.055 2.578 -6.576 1.00 0.00 N ATOM 430 CA GLN A 124 0.656 2.169 -6.620 1.00 0.00 C ATOM 431 C GLN A 124 -0.221 3.289 -7.170 1.00 0.00 C ATOM 432 O GLN A 124 -1.224 3.035 -7.837 1.00 0.00 O ATOM 433 CB GLN A 124 0.176 1.767 -5.225 1.00 0.00 C ATOM 434 CG GLN A 124 1.229 1.040 -4.404 1.00 0.00 C ATOM 435 CD GLN A 124 0.626 0.057 -3.420 1.00 0.00 C ATOM 436 OE1 GLN A 124 -0.382 -0.588 -3.709 1.00 0.00 O ATOM 437 NE2 GLN A 124 1.242 -0.062 -2.250 1.00 0.00 N ATOM 0 H GLN A 124 2.509 2.432 -5.674 1.00 0.00 H new ATOM 0 HA GLN A 124 0.575 1.309 -7.285 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -0.139 2.661 -4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -0.702 1.128 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 124 1.904 0.509 -5.075 1.00 0.00 H new ATOM 0 HG3 GLN A 124 1.829 1.770 -3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 124 2.075 0.493 -2.053 1.00 0.00 H new ATOM 0 HE22 GLN A 124 0.882 -0.708 -1.548 1.00 0.00 H new ATOM 446 N ARG A 125 0.163 4.529 -6.885 1.00 0.00 N ATOM 447 CA ARG A 125 -0.589 5.688 -7.350 1.00 0.00 C ATOM 448 C ARG A 125 -0.827 5.614 -8.855 1.00 0.00 C ATOM 449 O ARG A 125 -1.751 6.237 -9.379 1.00 0.00 O ATOM 450 CB ARG A 125 0.155 6.979 -7.003 1.00 0.00 C ATOM 451 CG ARG A 125 0.423 7.147 -5.517 1.00 0.00 C ATOM 452 CD ARG A 125 1.144 8.454 -5.225 1.00 0.00 C ATOM 453 NE ARG A 125 0.918 8.910 -3.856 1.00 0.00 N ATOM 454 CZ ARG A 125 1.749 9.714 -3.203 1.00 0.00 C ATOM 455 NH1 ARG A 125 2.855 10.149 -3.791 1.00 0.00 N ATOM 456 NH2 ARG A 125 1.474 10.086 -1.959 1.00 0.00 N ATOM 0 H ARG A 125 0.991 4.757 -6.334 1.00 0.00 H new ATOM 0 HA ARG A 125 -1.556 5.688 -6.846 1.00 0.00 H new ATOM 0 HB2 ARG A 125 1.104 6.997 -7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.427 7.830 -7.357 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.520 7.121 -4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 125 1.023 6.311 -5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.213 8.323 -5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 125 0.804 9.219 -5.923 1.00 0.00 H new ATOM 0 HE ARG A 125 0.076 8.594 -3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 125 3.069 9.866 -4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 125 3.491 10.766 -3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.624 9.754 -1.504 1.00 0.00 H new ATOM 0 HH22 ARG A 125 2.113 10.704 -1.458 1.00 0.00 H new ATOM 470 N ILE A 126 0.012 4.848 -9.545 1.00 0.00 N ATOM 471 CA ILE A 126 -0.107 4.693 -10.989 1.00 0.00 C ATOM 472 C ILE A 126 -1.322 3.846 -11.352 1.00 0.00 C ATOM 473 O ILE A 126 -1.950 4.053 -12.391 1.00 0.00 O ATOM 474 CB ILE A 126 1.154 4.046 -11.592 1.00 0.00 C ATOM 475 CG1 ILE A 126 1.127 2.531 -11.382 1.00 0.00 C ATOM 476 CG2 ILE A 126 2.406 4.650 -10.973 1.00 0.00 C ATOM 477 CD1 ILE A 126 2.411 1.842 -11.787 1.00 0.00 C ATOM 0 H ILE A 126 0.781 4.325 -9.127 1.00 0.00 H new ATOM 0 HA ILE A 126 -0.226 5.693 -11.405 1.00 0.00 H new ATOM 0 HB ILE A 126 1.170 4.245 -12.664 1.00 0.00 H new ATOM 0 HG12 ILE A 126 0.928 2.322 -10.331 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.301 2.108 -11.954 1.00 0.00 H new ATOM 0 HG21 ILE A 126 3.289 4.183 -11.409 1.00 0.00 H new ATOM 0 HG22 ILE A 126 2.428 5.722 -11.169 1.00 0.00 H new ATOM 0 HG23 ILE A 126 2.399 4.478 -9.897 1.00 0.00 H new ATOM 0 HD11 ILE A 126 2.320 0.770 -11.611 1.00 0.00 H new ATOM 0 HD12 ILE A 126 2.602 2.021 -12.845 1.00 0.00 H new ATOM 0 HD13 ILE A 126 3.238 2.238 -11.197 1.00 0.00 H new ATOM 489 N HIS A 127 -1.651 2.891 -10.487 1.00 0.00 N ATOM 490 CA HIS A 127 -2.793 2.013 -10.715 1.00 0.00 C ATOM 491 C HIS A 127 -4.104 2.745 -10.444 1.00 0.00 C ATOM 492 O HIS A 127 -5.011 2.746 -11.277 1.00 0.00 O ATOM 493 CB HIS A 127 -2.695 0.772 -9.827 1.00 0.00 C ATOM 494 CG HIS A 127 -1.608 -0.173 -10.235 1.00 0.00 C ATOM 495 ND1 HIS A 127 -1.734 -1.055 -11.287 1.00 0.00 N ATOM 496 CD2 HIS A 127 -0.368 -0.369 -9.728 1.00 0.00 C ATOM 497 CE1 HIS A 127 -0.620 -1.755 -11.408 1.00 0.00 C ATOM 498 NE2 HIS A 127 0.225 -1.358 -10.474 1.00 0.00 N ATOM 0 H HIS A 127 -1.143 2.706 -9.622 1.00 0.00 H new ATOM 0 HA HIS A 127 -2.779 1.704 -11.760 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -2.525 1.085 -8.797 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -3.649 0.245 -9.847 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -2.559 -1.152 -11.879 1.00 0.00 H new ATOM 0 HD2 HIS A 127 0.073 0.155 -8.893 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -0.432 -2.522 -12.145 1.00 0.00 H new ATOM 506 N THR A 128 -4.197 3.367 -9.273 1.00 0.00 N ATOM 507 CA THR A 128 -5.397 4.101 -8.891 1.00 0.00 C ATOM 508 C THR A 128 -6.010 4.815 -10.090 1.00 0.00 C ATOM 509 O THR A 128 -7.221 4.769 -10.301 1.00 0.00 O ATOM 510 CB THR A 128 -5.096 5.136 -7.790 1.00 0.00 C ATOM 511 OG1 THR A 128 -4.172 6.116 -8.278 1.00 0.00 O ATOM 512 CG2 THR A 128 -4.520 4.460 -6.555 1.00 0.00 C ATOM 0 H THR A 128 -3.456 3.377 -8.573 1.00 0.00 H new ATOM 0 HA THR A 128 -6.106 3.368 -8.506 1.00 0.00 H new ATOM 0 HB THR A 128 -6.031 5.624 -7.515 1.00 0.00 H new ATOM 0 HG1 THR A 128 -3.365 5.669 -8.608 1.00 0.00 H new ATOM 0 HG21 THR A 128 -4.315 5.210 -5.791 1.00 0.00 H new ATOM 0 HG22 THR A 128 -5.237 3.736 -6.169 1.00 0.00 H new ATOM 0 HG23 THR A 128 -3.594 3.949 -6.819 1.00 0.00 H new ATOM 520 N GLY A 129 -5.164 5.476 -10.875 1.00 0.00 N ATOM 521 CA GLY A 129 -5.642 6.190 -12.045 1.00 0.00 C ATOM 522 C GLY A 129 -6.777 7.140 -11.720 1.00 0.00 C ATOM 523 O GLY A 129 -7.915 6.920 -12.133 1.00 0.00 O ATOM 0 H GLY A 129 -4.157 5.530 -10.722 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -4.818 6.751 -12.487 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -5.976 5.472 -12.794 1.00 0.00 H new ATOM 527 N GLU A 130 -6.467 8.199 -10.978 1.00 0.00 N ATOM 528 CA GLU A 130 -7.472 9.184 -10.597 1.00 0.00 C ATOM 529 C GLU A 130 -7.379 10.426 -11.478 1.00 0.00 C ATOM 530 O GLU A 130 -6.750 11.418 -11.109 1.00 0.00 O ATOM 531 CB GLU A 130 -7.304 9.575 -9.127 1.00 0.00 C ATOM 532 CG GLU A 130 -7.879 8.556 -8.157 1.00 0.00 C ATOM 533 CD GLU A 130 -9.381 8.403 -8.294 1.00 0.00 C ATOM 534 OE1 GLU A 130 -10.117 9.214 -7.692 1.00 0.00 O ATOM 535 OE2 GLU A 130 -9.822 7.474 -9.002 1.00 0.00 O ATOM 0 H GLU A 130 -5.529 8.396 -10.629 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.455 8.734 -10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.243 9.709 -8.914 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.787 10.538 -8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.402 7.590 -8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.640 8.856 -7.137 1.00 0.00 H new ATOM 542 N LYS A 131 -8.009 10.364 -12.646 1.00 0.00 N ATOM 543 CA LYS A 131 -7.999 11.482 -13.582 1.00 0.00 C ATOM 544 C LYS A 131 -9.415 11.980 -13.851 1.00 0.00 C ATOM 545 O LYS A 131 -10.044 11.589 -14.834 1.00 0.00 O ATOM 546 CB LYS A 131 -7.334 11.068 -14.897 1.00 0.00 C ATOM 547 CG LYS A 131 -5.875 10.675 -14.743 1.00 0.00 C ATOM 548 CD LYS A 131 -5.730 9.226 -14.310 1.00 0.00 C ATOM 549 CE LYS A 131 -5.691 8.288 -15.507 1.00 0.00 C ATOM 550 NZ LYS A 131 -4.450 8.466 -16.311 1.00 0.00 N ATOM 0 H LYS A 131 -8.534 9.550 -12.967 1.00 0.00 H new ATOM 0 HA LYS A 131 -7.427 12.294 -13.132 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -7.884 10.230 -15.325 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -7.407 11.892 -15.607 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -5.355 10.827 -15.689 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -5.398 11.324 -14.009 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -4.818 9.109 -13.725 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -6.562 8.954 -13.660 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -5.755 7.256 -15.162 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -6.561 8.468 -16.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -4.261 7.600 -16.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -4.572 9.266 -16.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -3.649 8.657 -15.676 1.00 0.00 H new ATOM 564 N SER A 132 -9.911 12.845 -12.972 1.00 0.00 N ATOM 565 CA SER A 132 -11.254 13.394 -13.114 1.00 0.00 C ATOM 566 C SER A 132 -11.255 14.900 -12.869 1.00 0.00 C ATOM 567 O SER A 132 -11.143 15.355 -11.732 1.00 0.00 O ATOM 568 CB SER A 132 -12.214 12.707 -12.141 1.00 0.00 C ATOM 569 OG SER A 132 -11.764 12.838 -10.803 1.00 0.00 O ATOM 0 H SER A 132 -9.403 13.181 -12.154 1.00 0.00 H new ATOM 0 HA SER A 132 -11.589 13.210 -14.135 1.00 0.00 H new ATOM 0 HB2 SER A 132 -13.208 13.143 -12.238 1.00 0.00 H new ATOM 0 HB3 SER A 132 -12.302 11.651 -12.397 1.00 0.00 H new ATOM 0 HG SER A 132 -11.488 13.764 -10.640 1.00 0.00 H new ATOM 575 N GLY A 133 -11.381 15.668 -13.947 1.00 0.00 N ATOM 576 CA GLY A 133 -11.393 17.115 -13.829 1.00 0.00 C ATOM 577 C GLY A 133 -12.795 17.689 -13.885 1.00 0.00 C ATOM 578 O GLY A 133 -13.731 17.052 -14.369 1.00 0.00 O ATOM 0 H GLY A 133 -11.475 15.315 -14.899 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -10.923 17.404 -12.889 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -10.794 17.547 -14.631 1.00 0.00 H new ATOM 582 N PRO A 134 -12.954 18.921 -13.379 1.00 0.00 N ATOM 583 CA PRO A 134 -14.249 19.608 -13.362 1.00 0.00 C ATOM 584 C PRO A 134 -14.709 20.015 -14.758 1.00 0.00 C ATOM 585 O PRO A 134 -13.916 20.495 -15.567 1.00 0.00 O ATOM 586 CB PRO A 134 -13.982 20.848 -12.504 1.00 0.00 C ATOM 587 CG PRO A 134 -12.519 21.094 -12.641 1.00 0.00 C ATOM 588 CD PRO A 134 -11.883 19.739 -12.787 1.00 0.00 C ATOM 0 HA PRO A 134 -15.044 18.969 -12.977 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -14.562 21.703 -12.852 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -14.259 20.677 -11.464 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -12.308 21.720 -13.508 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -12.128 21.617 -11.768 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.003 19.775 -13.430 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -11.559 19.342 -11.825 1.00 0.00 H new ATOM 596 N SER A 135 -15.995 19.820 -15.032 1.00 0.00 N ATOM 597 CA SER A 135 -16.559 20.163 -16.332 1.00 0.00 C ATOM 598 C SER A 135 -18.084 20.152 -16.283 1.00 0.00 C ATOM 599 O SER A 135 -18.685 19.417 -15.500 1.00 0.00 O ATOM 600 CB SER A 135 -16.065 19.187 -17.401 1.00 0.00 C ATOM 601 OG SER A 135 -14.834 19.617 -17.956 1.00 0.00 O ATOM 0 H SER A 135 -16.665 19.427 -14.372 1.00 0.00 H new ATOM 0 HA SER A 135 -16.228 21.169 -16.589 1.00 0.00 H new ATOM 0 HB2 SER A 135 -15.944 18.196 -16.964 1.00 0.00 H new ATOM 0 HB3 SER A 135 -16.812 19.099 -18.190 1.00 0.00 H new ATOM 0 HG SER A 135 -14.275 20.005 -17.251 1.00 0.00 H new ATOM 607 N SER A 136 -18.703 20.973 -17.125 1.00 0.00 N ATOM 608 CA SER A 136 -20.158 21.061 -17.175 1.00 0.00 C ATOM 609 C SER A 136 -20.782 19.675 -17.301 1.00 0.00 C ATOM 610 O SER A 136 -21.600 19.272 -16.475 1.00 0.00 O ATOM 611 CB SER A 136 -20.596 21.939 -18.349 1.00 0.00 C ATOM 612 OG SER A 136 -20.525 23.314 -18.012 1.00 0.00 O ATOM 0 H SER A 136 -18.220 21.586 -17.782 1.00 0.00 H new ATOM 0 HA SER A 136 -20.503 21.512 -16.244 1.00 0.00 H new ATOM 0 HB2 SER A 136 -19.962 21.740 -19.213 1.00 0.00 H new ATOM 0 HB3 SER A 136 -21.616 21.684 -18.637 1.00 0.00 H new ATOM 0 HG SER A 136 -20.808 23.854 -18.779 1.00 0.00 H new ATOM 618 N GLY A 137 -20.390 18.948 -18.343 1.00 0.00 N ATOM 619 CA GLY A 137 -20.920 17.615 -18.560 1.00 0.00 C ATOM 620 C GLY A 137 -20.100 16.545 -17.867 1.00 0.00 C ATOM 621 O GLY A 137 -18.972 16.795 -17.443 1.00 0.00 O ATOM 0 H GLY A 137 -19.714 19.259 -19.041 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -21.947 17.572 -18.198 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -20.950 17.409 -19.630 1.00 0.00 H new TER 625 GLY A 137 HETATM 626 ZN ZN A 201 1.950 -1.951 -9.473 1.00 0.00 ZN