USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=20 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 116 LYS NZ :NH3+ 157:sc= -0.146 (180deg=-0.571) USER MOD Set 1.2: A 120 GLN : amide:sc= -0.618 K(o=-0.76,f=-0.18) USER MOD Set 2.1: A 90 GLN : amide:sc= -0.984 K(o=0.13,f=-5.6!) USER MOD Set 2.2: A 94 SER OG : rot 76:sc= 1.11 USER MOD Set 3.1: A 65 GLN : amide:sc= -0.702 K(o=-2.1,f=-1.3) USER MOD Set 3.2: A 108 HIS : no HD1:sc= -1.36! C(o=-2.1!,f=-3.7!) USER MOD Set 4.1: A 62 ASN : amide:sc= -0.174 X(o=-0.17,f=0.3) USER MOD Set 4.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 28:sc= 0.0413 USER MOD Single : A 68 CYS SG : rot 170:sc= 0.00128 USER MOD Single : A 82 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.043) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -125:sc= -1.72! (180deg=-3.62!) USER MOD Single : A 91 LYS NZ :NH3+ -154:sc= -0.0185 (180deg=-0.589) USER MOD Single : A 92 SER OG : rot 150:sc= -0.0874 USER MOD Single : A 95 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.28) USER MOD Single : A 96 LYS NZ :NH3+ -150:sc= -0.0602 (180deg=-0.543) USER MOD Single : A 97 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0206) USER MOD Single : A 99 LYS NZ :NH3+ 150:sc= 0.529 (180deg=-0.892!) USER MOD Single : A 104 LYS NZ :NH3+ -166:sc= -0.0103 (180deg=-0.196) USER MOD Single : A 105 SER OG : rot -75:sc= 0.979 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.6!) USER MOD Single : A 121 SER OG : rot -81:sc= 0.332 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0.019) USER MOD Single : A 127 LYS NZ :NH3+ -159:sc= -0.231 (180deg=-0.754) USER MOD Single : A 129 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.199) USER MOD Single : A 131 SER OG : rot -67:sc= 0.627 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -15.661 -1.321 11.503 1.00 0.00 N ATOM 2 CA SER A 61 -15.868 0.122 11.230 1.00 0.00 C ATOM 3 C SER A 61 -14.943 0.624 10.117 1.00 0.00 C ATOM 4 O SER A 61 -15.274 0.495 8.940 1.00 0.00 O ATOM 5 CB SER A 61 -15.676 0.941 12.508 1.00 0.00 C ATOM 6 OG SER A 61 -16.616 0.565 13.499 1.00 0.00 O ATOM 0 HA SER A 61 -16.894 0.252 10.884 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.665 0.797 12.888 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.784 2.002 12.284 1.00 0.00 H new ATOM 0 HG SER A 61 -16.881 -0.368 13.361 1.00 0.00 H new ATOM 14 N ASN A 62 -13.783 1.188 10.470 1.00 0.00 N ATOM 15 CA ASN A 62 -12.866 1.705 9.452 1.00 0.00 C ATOM 16 C ASN A 62 -11.465 1.114 9.588 1.00 0.00 C ATOM 17 O ASN A 62 -10.472 1.756 9.239 1.00 0.00 O ATOM 18 CB ASN A 62 -12.792 3.230 9.514 1.00 0.00 C ATOM 19 CG ASN A 62 -12.572 3.843 8.144 1.00 0.00 C ATOM 20 OD1 ASN A 62 -12.179 3.156 7.201 1.00 0.00 O ATOM 21 ND2 ASN A 62 -12.820 5.142 8.029 1.00 0.00 N ATOM 0 H ASN A 62 -13.462 1.296 11.432 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.265 1.402 8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.715 3.621 9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -11.981 3.527 10.179 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.686 5.609 7.132 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.144 5.673 8.837 1.00 0.00 H new ATOM 28 N ALA A 63 -11.390 -0.105 10.101 1.00 0.00 N ATOM 29 CA ALA A 63 -10.116 -0.795 10.255 1.00 0.00 C ATOM 30 C ALA A 63 -10.331 -2.299 10.388 1.00 0.00 C ATOM 31 O ALA A 63 -9.486 -3.012 10.930 1.00 0.00 O ATOM 32 CB ALA A 63 -9.356 -0.256 11.456 1.00 0.00 C ATOM 0 H ALA A 63 -12.199 -0.639 10.419 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.519 -0.612 9.361 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.408 -0.784 11.553 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.166 0.808 11.318 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.949 -0.405 12.358 1.00 0.00 H new ATOM 38 N GLY A 64 -11.463 -2.778 9.877 1.00 0.00 N ATOM 39 CA GLY A 64 -11.776 -4.191 9.954 1.00 0.00 C ATOM 40 C GLY A 64 -11.936 -4.815 8.584 1.00 0.00 C ATOM 41 O GLY A 64 -12.788 -5.679 8.380 1.00 0.00 O ATOM 0 H GLY A 64 -12.169 -2.209 9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.985 -4.708 10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.695 -4.328 10.524 1.00 0.00 H new ATOM 45 N GLN A 65 -11.115 -4.365 7.645 1.00 0.00 N ATOM 46 CA GLN A 65 -11.154 -4.874 6.282 1.00 0.00 C ATOM 47 C GLN A 65 -9.821 -5.514 5.919 1.00 0.00 C ATOM 48 O GLN A 65 -8.900 -5.553 6.734 1.00 0.00 O ATOM 49 CB GLN A 65 -11.459 -3.738 5.305 1.00 0.00 C ATOM 50 CG GLN A 65 -12.693 -2.924 5.676 1.00 0.00 C ATOM 51 CD GLN A 65 -14.001 -3.583 5.271 1.00 0.00 C ATOM 52 OE1 GLN A 65 -14.967 -3.577 6.035 1.00 0.00 O ATOM 53 NE2 GLN A 65 -14.061 -4.117 4.055 1.00 0.00 N ATOM 0 H GLN A 65 -10.411 -3.645 7.804 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.940 -5.626 6.216 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.597 -3.072 5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.597 -4.156 4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.698 -2.758 6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.628 -1.944 5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.239 -4.103 3.451 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.929 -4.541 3.726 1.00 0.00 H new ATOM 62 N LEU A 66 -9.718 -6.010 4.695 1.00 0.00 N ATOM 63 CA LEU A 66 -8.487 -6.632 4.242 1.00 0.00 C ATOM 64 C LEU A 66 -7.822 -5.815 3.145 1.00 0.00 C ATOM 65 O LEU A 66 -8.489 -5.138 2.362 1.00 0.00 O ATOM 66 CB LEU A 66 -8.737 -8.058 3.775 1.00 0.00 C ATOM 67 CG LEU A 66 -8.163 -9.105 4.722 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.204 -9.568 5.721 1.00 0.00 C ATOM 69 CD2 LEU A 66 -7.602 -10.271 3.954 1.00 0.00 C ATOM 0 H LEU A 66 -10.467 -5.993 4.003 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.805 -6.665 5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.810 -8.218 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.299 -8.192 2.786 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.349 -8.641 5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.766 -10.315 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.547 -8.717 6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.049 -10.006 5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.198 -11.005 4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.393 -10.730 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.808 -9.923 3.293 1.00 0.00 H new ATOM 81 N CYS A 67 -6.496 -5.882 3.111 1.00 0.00 N ATOM 82 CA CYS A 67 -5.700 -5.156 2.127 1.00 0.00 C ATOM 83 C CYS A 67 -6.282 -5.305 0.721 1.00 0.00 C ATOM 84 O CYS A 67 -6.723 -6.387 0.334 1.00 0.00 O ATOM 85 CB CYS A 67 -4.260 -5.674 2.164 1.00 0.00 C ATOM 86 SG CYS A 67 -3.125 -4.814 1.053 1.00 0.00 S ATOM 0 H CYS A 67 -5.943 -6.439 3.762 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.716 -4.095 2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.883 -5.590 3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.262 -6.734 1.911 1.00 0.00 H new ATOM 91 N CYS A 68 -6.280 -4.210 -0.039 1.00 0.00 N ATOM 92 CA CYS A 68 -6.809 -4.223 -1.401 1.00 0.00 C ATOM 93 C CYS A 68 -5.682 -4.259 -2.430 1.00 0.00 C ATOM 94 O CYS A 68 -5.839 -3.791 -3.558 1.00 0.00 O ATOM 95 CB CYS A 68 -7.699 -3.003 -1.647 1.00 0.00 C ATOM 96 SG CYS A 68 -6.828 -1.422 -1.573 1.00 0.00 S ATOM 0 H CYS A 68 -5.919 -3.306 0.265 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.408 -5.127 -1.513 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.168 -3.101 -2.626 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.501 -2.998 -0.909 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.610 -0.475 -2.001 1.00 0.00 H new ATOM 102 N LEU A 69 -4.546 -4.817 -2.030 1.00 0.00 N ATOM 103 CA LEU A 69 -3.395 -4.938 -2.915 1.00 0.00 C ATOM 104 C LEU A 69 -3.064 -6.408 -3.121 1.00 0.00 C ATOM 105 O LEU A 69 -3.377 -7.244 -2.274 1.00 0.00 O ATOM 106 CB LEU A 69 -2.181 -4.203 -2.342 1.00 0.00 C ATOM 107 CG LEU A 69 -2.418 -2.739 -1.970 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.138 -2.112 -1.442 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.941 -1.960 -3.168 1.00 0.00 C ATOM 0 H LEU A 69 -4.397 -5.194 -1.094 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.645 -4.482 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.841 -4.736 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.372 -4.249 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.171 -2.701 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.324 -1.070 -1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.806 -2.654 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.365 -2.162 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.103 -0.920 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.212 -2.005 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.882 -2.396 -3.503 1.00 0.00 H new ATOM 121 N ARG A 70 -2.426 -6.721 -4.240 1.00 0.00 N ATOM 122 CA ARG A 70 -2.077 -8.102 -4.545 1.00 0.00 C ATOM 123 C ARG A 70 -0.579 -8.256 -4.769 1.00 0.00 C ATOM 124 O ARG A 70 -0.023 -7.683 -5.705 1.00 0.00 O ATOM 125 CB ARG A 70 -2.827 -8.574 -5.793 1.00 0.00 C ATOM 126 CG ARG A 70 -4.199 -7.941 -5.957 1.00 0.00 C ATOM 127 CD ARG A 70 -4.827 -8.304 -7.293 1.00 0.00 C ATOM 128 NE ARG A 70 -4.951 -9.749 -7.471 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.162 -10.328 -8.648 1.00 0.00 C ATOM 130 NH1 ARG A 70 -5.263 -9.588 -9.744 1.00 0.00 N ATOM 131 NH2 ARG A 70 -5.271 -11.646 -8.732 1.00 0.00 N ATOM 0 H ARG A 70 -2.141 -6.043 -4.947 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.366 -8.713 -3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.226 -8.350 -6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.939 -9.657 -5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.851 -8.269 -5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.112 -6.857 -5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.813 -7.845 -7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.223 -7.891 -8.101 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.871 -10.345 -6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.179 -8.573 -9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.425 -10.034 -10.647 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.193 -12.219 -7.892 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.433 -12.088 -9.637 1.00 0.00 H new ATOM 145 N GLU A 71 0.075 -9.025 -3.908 1.00 0.00 N ATOM 146 CA GLU A 71 1.504 -9.259 -4.044 1.00 0.00 C ATOM 147 C GLU A 71 1.744 -10.585 -4.757 1.00 0.00 C ATOM 148 O GLU A 71 1.474 -11.654 -4.209 1.00 0.00 O ATOM 149 CB GLU A 71 2.194 -9.251 -2.680 1.00 0.00 C ATOM 150 CG GLU A 71 3.712 -9.222 -2.774 1.00 0.00 C ATOM 151 CD GLU A 71 4.379 -8.948 -1.441 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.696 -9.058 -0.401 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.585 -8.622 -1.437 1.00 0.00 O ATOM 0 H GLU A 71 -0.359 -9.494 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 71 1.933 -8.452 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.855 -8.383 -2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.888 -10.135 -2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.066 -10.177 -3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.012 -8.456 -3.489 1.00 0.00 H new ATOM 160 N ASP A 72 2.240 -10.500 -5.989 1.00 0.00 N ATOM 161 CA ASP A 72 2.500 -11.683 -6.803 1.00 0.00 C ATOM 162 C ASP A 72 1.195 -12.387 -7.158 1.00 0.00 C ATOM 163 O ASP A 72 1.161 -13.603 -7.341 1.00 0.00 O ATOM 164 CB ASP A 72 3.447 -12.647 -6.085 1.00 0.00 C ATOM 165 CG ASP A 72 4.866 -12.118 -6.019 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.351 -11.591 -7.043 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.494 -12.233 -4.946 1.00 0.00 O ATOM 0 H ASP A 72 2.471 -9.618 -6.447 1.00 0.00 H new ATOM 0 HA ASP A 72 2.982 -11.357 -7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.081 -12.826 -5.074 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.443 -13.607 -6.600 1.00 0.00 H new ATOM 172 N GLY A 73 0.121 -11.608 -7.256 1.00 0.00 N ATOM 173 CA GLY A 73 -1.175 -12.165 -7.600 1.00 0.00 C ATOM 174 C GLY A 73 -2.014 -12.515 -6.384 1.00 0.00 C ATOM 175 O GLY A 73 -3.228 -12.684 -6.494 1.00 0.00 O ATOM 0 H GLY A 73 0.126 -10.600 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.720 -11.449 -8.216 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.030 -13.061 -8.204 1.00 0.00 H new ATOM 179 N GLU A 74 -1.372 -12.620 -5.223 1.00 0.00 N ATOM 180 CA GLU A 74 -2.078 -12.962 -3.991 1.00 0.00 C ATOM 181 C GLU A 74 -2.574 -11.714 -3.266 1.00 0.00 C ATOM 182 O GLU A 74 -1.846 -10.731 -3.129 1.00 0.00 O ATOM 183 CB GLU A 74 -1.177 -13.792 -3.080 1.00 0.00 C ATOM 184 CG GLU A 74 -0.912 -15.190 -3.614 1.00 0.00 C ATOM 185 CD GLU A 74 -2.190 -15.981 -3.828 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.923 -15.676 -4.792 1.00 0.00 O ATOM 187 OE2 GLU A 74 -2.457 -16.905 -3.031 1.00 0.00 O ATOM 0 H GLU A 74 -0.369 -12.474 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.952 -13.556 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.227 -13.274 -2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.637 -13.867 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.370 -15.119 -4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.269 -15.726 -2.916 1.00 0.00 H new ATOM 194 N ARG A 75 -3.816 -11.777 -2.788 1.00 0.00 N ATOM 195 CA ARG A 75 -4.445 -10.651 -2.100 1.00 0.00 C ATOM 196 C ARG A 75 -3.884 -10.431 -0.696 1.00 0.00 C ATOM 197 O ARG A 75 -4.608 -10.546 0.290 1.00 0.00 O ATOM 198 CB ARG A 75 -5.955 -10.876 -2.015 1.00 0.00 C ATOM 199 CG ARG A 75 -6.739 -9.627 -1.649 1.00 0.00 C ATOM 200 CD ARG A 75 -6.725 -8.616 -2.782 1.00 0.00 C ATOM 201 NE ARG A 75 -7.061 -9.230 -4.063 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.280 -9.642 -4.389 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.275 -9.531 -3.521 1.00 0.00 N ATOM 204 NH2 ARG A 75 -8.502 -10.174 -5.582 1.00 0.00 N ATOM 0 H ARG A 75 -4.410 -12.603 -2.866 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.225 -9.756 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.312 -11.250 -2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.157 -11.651 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.768 -9.897 -1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.313 -9.177 -0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.434 -7.817 -2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.738 -8.157 -2.847 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.315 -9.350 -4.748 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.105 -9.128 -2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.211 -9.848 -3.774 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.736 -10.267 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.439 -10.491 -5.833 1.00 0.00 H new ATOM 218 N CYS A 76 -2.598 -10.104 -0.624 1.00 0.00 N ATOM 219 CA CYS A 76 -1.921 -9.827 0.646 1.00 0.00 C ATOM 220 C CYS A 76 -2.285 -10.841 1.746 1.00 0.00 C ATOM 221 O CYS A 76 -1.571 -11.825 1.943 1.00 0.00 O ATOM 222 CB CYS A 76 -2.226 -8.387 1.083 1.00 0.00 C ATOM 223 SG CYS A 76 -1.131 -7.742 2.369 1.00 0.00 S ATOM 0 H CYS A 76 -1.993 -10.023 -1.441 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.848 -9.935 0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.164 -7.736 0.211 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.254 -8.341 1.443 1.00 0.00 H new ATOM 228 N GLY A 77 -3.385 -10.608 2.463 1.00 0.00 N ATOM 229 CA GLY A 77 -3.780 -11.519 3.524 1.00 0.00 C ATOM 230 C GLY A 77 -3.715 -10.885 4.904 1.00 0.00 C ATOM 231 O GLY A 77 -4.048 -11.526 5.902 1.00 0.00 O ATOM 0 H GLY A 77 -4.005 -9.809 2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.796 -11.867 3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.133 -12.396 3.502 1.00 0.00 H new ATOM 235 N ARG A 78 -3.275 -9.629 4.969 1.00 0.00 N ATOM 236 CA ARG A 78 -3.184 -8.917 6.237 1.00 0.00 C ATOM 237 C ARG A 78 -4.318 -7.906 6.345 1.00 0.00 C ATOM 238 O ARG A 78 -4.695 -7.278 5.356 1.00 0.00 O ATOM 239 CB ARG A 78 -1.829 -8.217 6.363 1.00 0.00 C ATOM 240 CG ARG A 78 -1.561 -7.650 7.748 1.00 0.00 C ATOM 241 CD ARG A 78 -0.134 -7.142 7.872 1.00 0.00 C ATOM 242 NE ARG A 78 0.145 -6.605 9.201 1.00 0.00 N ATOM 243 CZ ARG A 78 1.371 -6.384 9.664 1.00 0.00 C ATOM 244 NH1 ARG A 78 2.427 -6.672 8.915 1.00 0.00 N ATOM 245 NH2 ARG A 78 1.543 -5.883 10.880 1.00 0.00 N ATOM 0 H ARG A 78 -2.977 -9.087 4.158 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.273 -9.636 7.052 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.039 -8.925 6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.778 -7.409 5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.257 -6.836 7.951 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.742 -8.419 8.499 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.560 -7.955 7.657 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.041 -6.368 7.125 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.645 -6.387 9.808 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.299 -7.064 7.982 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.367 -6.502 9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.734 -5.667 11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.485 -5.714 11.233 1.00 0.00 H new ATOM 259 N ALA A 79 -4.860 -7.750 7.541 1.00 0.00 N ATOM 260 CA ALA A 79 -5.967 -6.829 7.749 1.00 0.00 C ATOM 261 C ALA A 79 -5.565 -5.383 7.462 1.00 0.00 C ATOM 262 O ALA A 79 -4.454 -4.956 7.783 1.00 0.00 O ATOM 263 CB ALA A 79 -6.501 -6.970 9.164 1.00 0.00 C ATOM 0 H ALA A 79 -4.555 -8.245 8.379 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.757 -7.088 7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.329 -6.277 9.311 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.850 -7.991 9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.708 -6.744 9.876 1.00 0.00 H new ATOM 269 N ALA A 80 -6.484 -4.635 6.851 1.00 0.00 N ATOM 270 CA ALA A 80 -6.243 -3.235 6.508 1.00 0.00 C ATOM 271 C ALA A 80 -5.813 -2.432 7.731 1.00 0.00 C ATOM 272 O ALA A 80 -6.103 -2.810 8.867 1.00 0.00 O ATOM 273 CB ALA A 80 -7.489 -2.626 5.884 1.00 0.00 C ATOM 0 H ALA A 80 -7.406 -4.978 6.583 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.430 -3.199 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.297 -1.583 5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.748 -3.175 4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.315 -2.683 6.592 1.00 0.00 H new ATOM 279 N GLY A 81 -5.132 -1.314 7.491 1.00 0.00 N ATOM 280 CA GLY A 81 -4.659 -0.488 8.586 1.00 0.00 C ATOM 281 C GLY A 81 -5.339 0.867 8.669 1.00 0.00 C ATOM 282 O GLY A 81 -6.567 0.959 8.667 1.00 0.00 O ATOM 0 H GLY A 81 -4.900 -0.967 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.815 -1.020 9.524 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.585 -0.339 8.479 1.00 0.00 H new ATOM 286 N ASN A 82 -4.527 1.920 8.735 1.00 0.00 N ATOM 287 CA ASN A 82 -5.038 3.283 8.854 1.00 0.00 C ATOM 288 C ASN A 82 -4.663 4.151 7.651 1.00 0.00 C ATOM 289 O ASN A 82 -4.858 5.366 7.677 1.00 0.00 O ATOM 290 CB ASN A 82 -4.480 3.918 10.130 1.00 0.00 C ATOM 291 CG ASN A 82 -5.559 4.515 11.009 1.00 0.00 C ATOM 292 OD1 ASN A 82 -5.470 4.466 12.236 1.00 0.00 O ATOM 293 ND2 ASN A 82 -6.581 5.088 10.387 1.00 0.00 N ATOM 0 H ASN A 82 -3.509 1.855 8.708 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.126 3.228 8.893 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -3.933 3.164 10.696 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.765 4.696 9.861 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.335 5.511 10.928 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.613 5.105 9.368 1.00 0.00 H new ATOM 300 N ALA A 83 -4.132 3.535 6.601 1.00 0.00 N ATOM 301 CA ALA A 83 -3.731 4.281 5.413 1.00 0.00 C ATOM 302 C ALA A 83 -4.706 4.073 4.262 1.00 0.00 C ATOM 303 O ALA A 83 -5.563 3.190 4.305 1.00 0.00 O ATOM 304 CB ALA A 83 -2.326 3.885 4.991 1.00 0.00 C ATOM 0 H ALA A 83 -3.970 2.529 6.547 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.742 5.341 5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.040 4.449 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.628 4.102 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.300 2.819 4.767 1.00 0.00 H new ATOM 310 N SER A 84 -4.563 4.897 3.229 1.00 0.00 N ATOM 311 CA SER A 84 -5.420 4.811 2.055 1.00 0.00 C ATOM 312 C SER A 84 -4.595 4.909 0.779 1.00 0.00 C ATOM 313 O SER A 84 -3.671 5.716 0.687 1.00 0.00 O ATOM 314 CB SER A 84 -6.465 5.928 2.075 1.00 0.00 C ATOM 315 OG SER A 84 -5.868 7.187 1.816 1.00 0.00 O ATOM 0 H SER A 84 -3.859 5.634 3.183 1.00 0.00 H new ATOM 0 HA SER A 84 -5.926 3.846 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.233 5.725 1.329 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.961 5.949 3.045 1.00 0.00 H new ATOM 0 HG SER A 84 -6.556 7.885 1.832 1.00 0.00 H new ATOM 321 N PHE A 85 -4.927 4.078 -0.201 1.00 0.00 N ATOM 322 CA PHE A 85 -4.224 4.091 -1.476 1.00 0.00 C ATOM 323 C PHE A 85 -4.396 5.448 -2.146 1.00 0.00 C ATOM 324 O PHE A 85 -5.514 5.949 -2.270 1.00 0.00 O ATOM 325 CB PHE A 85 -4.758 2.979 -2.380 1.00 0.00 C ATOM 326 CG PHE A 85 -4.024 2.842 -3.683 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.762 2.271 -3.729 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.606 3.268 -4.865 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.094 2.131 -4.931 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.945 3.127 -6.069 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.689 2.558 -6.103 1.00 0.00 C ATOM 0 H PHE A 85 -5.676 3.389 -0.137 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.162 3.917 -1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.704 2.032 -1.843 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.811 3.168 -2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.296 1.932 -2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.589 3.716 -4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.109 1.689 -4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.411 3.462 -6.984 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.171 2.446 -7.044 1.00 0.00 H new ATOM 341 N SER A 86 -3.289 6.046 -2.571 1.00 0.00 N ATOM 342 CA SER A 86 -3.334 7.357 -3.209 1.00 0.00 C ATOM 343 C SER A 86 -2.472 7.396 -4.466 1.00 0.00 C ATOM 344 O SER A 86 -2.108 6.358 -5.020 1.00 0.00 O ATOM 345 CB SER A 86 -2.862 8.428 -2.226 1.00 0.00 C ATOM 346 OG SER A 86 -1.459 8.361 -2.036 1.00 0.00 O ATOM 0 H SER A 86 -2.354 5.647 -2.486 1.00 0.00 H new ATOM 0 HA SER A 86 -4.366 7.554 -3.501 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.135 9.415 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.369 8.298 -1.270 1.00 0.00 H new ATOM 0 HG SER A 86 -1.181 9.057 -1.405 1.00 0.00 H new ATOM 352 N LYS A 87 -2.178 8.610 -4.925 1.00 0.00 N ATOM 353 CA LYS A 87 -1.352 8.816 -6.111 1.00 0.00 C ATOM 354 C LYS A 87 0.124 8.625 -5.774 1.00 0.00 C ATOM 355 O LYS A 87 0.856 7.934 -6.480 1.00 0.00 O ATOM 356 CB LYS A 87 -1.562 10.222 -6.669 1.00 0.00 C ATOM 357 CG LYS A 87 -3.003 10.708 -6.621 1.00 0.00 C ATOM 358 CD LYS A 87 -3.076 12.227 -6.570 1.00 0.00 C ATOM 359 CE LYS A 87 -2.318 12.791 -5.374 1.00 0.00 C ATOM 360 NZ LYS A 87 -0.899 13.108 -5.704 1.00 0.00 N ATOM 0 H LYS A 87 -2.503 9.473 -4.489 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.648 8.082 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.937 10.919 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.218 10.245 -7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.540 10.346 -7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.501 10.289 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.664 12.642 -7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.119 12.539 -6.519 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.818 13.694 -5.022 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.347 12.071 -4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.269 12.614 -5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.691 12.797 -6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.746 14.134 -5.629 1.00 0.00 H new ATOM 374 N ARG A 88 0.546 9.263 -4.684 1.00 0.00 N ATOM 375 CA ARG A 88 1.928 9.185 -4.221 1.00 0.00 C ATOM 376 C ARG A 88 2.364 7.733 -4.105 1.00 0.00 C ATOM 377 O ARG A 88 3.448 7.362 -4.556 1.00 0.00 O ATOM 378 CB ARG A 88 2.046 9.900 -2.867 1.00 0.00 C ATOM 379 CG ARG A 88 3.325 9.599 -2.096 1.00 0.00 C ATOM 380 CD ARG A 88 3.036 8.819 -0.821 1.00 0.00 C ATOM 381 NE ARG A 88 1.880 9.351 -0.099 1.00 0.00 N ATOM 382 CZ ARG A 88 1.188 8.654 0.798 1.00 0.00 C ATOM 383 NH1 ARG A 88 1.555 7.419 1.110 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.128 9.194 1.386 1.00 0.00 N ATOM 0 H ARG A 88 -0.056 9.844 -4.101 1.00 0.00 H new ATOM 0 HA ARG A 88 2.583 9.675 -4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.983 10.975 -3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.192 9.622 -2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.006 9.028 -2.727 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.829 10.533 -1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.857 7.773 -1.069 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.912 8.848 -0.173 1.00 0.00 H new ATOM 0 HE ARG A 88 1.589 10.309 -0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.370 7.001 0.662 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.022 6.887 1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.157 10.145 1.150 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.402 8.658 2.074 1.00 0.00 H new ATOM 398 N ILE A 89 1.515 6.912 -3.501 1.00 0.00 N ATOM 399 CA ILE A 89 1.813 5.500 -3.352 1.00 0.00 C ATOM 400 C ILE A 89 1.925 4.848 -4.727 1.00 0.00 C ATOM 401 O ILE A 89 2.693 3.908 -4.918 1.00 0.00 O ATOM 402 CB ILE A 89 0.742 4.788 -2.497 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.781 5.332 -1.067 1.00 0.00 C ATOM 404 CG2 ILE A 89 0.950 3.278 -2.499 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.137 4.603 -0.113 1.00 0.00 C ATOM 0 H ILE A 89 0.619 7.201 -3.109 1.00 0.00 H new ATOM 0 HA ILE A 89 2.766 5.402 -2.832 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.238 4.987 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.803 5.270 -0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.510 6.388 -1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.181 2.804 -1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.885 2.903 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.933 3.046 -2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.055 5.045 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.166 4.686 -0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.147 3.552 -0.067 1.00 0.00 H new ATOM 417 N GLN A 90 1.157 5.361 -5.685 1.00 0.00 N ATOM 418 CA GLN A 90 1.198 4.849 -7.050 1.00 0.00 C ATOM 419 C GLN A 90 2.536 5.207 -7.675 1.00 0.00 C ATOM 420 O GLN A 90 3.191 4.381 -8.312 1.00 0.00 O ATOM 421 CB GLN A 90 0.058 5.438 -7.880 1.00 0.00 C ATOM 422 CG GLN A 90 -0.085 4.798 -9.251 1.00 0.00 C ATOM 423 CD GLN A 90 0.643 5.568 -10.336 1.00 0.00 C ATOM 424 OE1 GLN A 90 1.558 6.342 -10.058 1.00 0.00 O ATOM 425 NE2 GLN A 90 0.246 5.348 -11.585 1.00 0.00 N ATOM 0 H GLN A 90 0.501 6.129 -5.541 1.00 0.00 H new ATOM 0 HA GLN A 90 1.079 3.766 -7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.878 5.321 -7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.223 6.508 -8.003 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.300 3.779 -9.214 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.142 4.730 -9.507 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.517 4.697 -11.770 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.705 5.830 -12.358 1.00 0.00 H new ATOM 434 N LYS A 91 2.925 6.459 -7.478 1.00 0.00 N ATOM 435 CA LYS A 91 4.185 6.973 -7.976 1.00 0.00 C ATOM 436 C LYS A 91 5.343 6.189 -7.364 1.00 0.00 C ATOM 437 O LYS A 91 6.323 5.868 -8.039 1.00 0.00 O ATOM 438 CB LYS A 91 4.282 8.455 -7.613 1.00 0.00 C ATOM 439 CG LYS A 91 3.895 9.402 -8.739 1.00 0.00 C ATOM 440 CD LYS A 91 5.021 9.594 -9.742 1.00 0.00 C ATOM 441 CE LYS A 91 4.990 10.992 -10.339 1.00 0.00 C ATOM 442 NZ LYS A 91 3.604 11.427 -10.667 1.00 0.00 N ATOM 0 H LYS A 91 2.371 7.146 -6.966 1.00 0.00 H new ATOM 0 HA LYS A 91 4.237 6.862 -9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.640 8.649 -6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.304 8.675 -7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.016 9.013 -9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.617 10.368 -8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.980 9.425 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.934 8.854 -10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.434 11.697 -9.636 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.600 11.015 -11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.633 12.131 -11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.046 10.605 -10.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.164 11.849 -9.825 1.00 0.00 H new ATOM 456 N SER A 92 5.213 5.877 -6.077 1.00 0.00 N ATOM 457 CA SER A 92 6.228 5.117 -5.359 1.00 0.00 C ATOM 458 C SER A 92 6.320 3.701 -5.916 1.00 0.00 C ATOM 459 O SER A 92 7.407 3.209 -6.215 1.00 0.00 O ATOM 460 CB SER A 92 5.899 5.075 -3.865 1.00 0.00 C ATOM 461 OG SER A 92 6.811 4.250 -3.162 1.00 0.00 O ATOM 0 H SER A 92 4.409 6.142 -5.508 1.00 0.00 H new ATOM 0 HA SER A 92 7.191 5.609 -5.493 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.928 6.085 -3.455 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.884 4.702 -3.724 1.00 0.00 H new ATOM 0 HG SER A 92 6.913 4.582 -2.246 1.00 0.00 H new ATOM 467 N ILE A 93 5.168 3.049 -6.050 1.00 0.00 N ATOM 468 CA ILE A 93 5.114 1.696 -6.586 1.00 0.00 C ATOM 469 C ILE A 93 5.582 1.686 -8.039 1.00 0.00 C ATOM 470 O ILE A 93 6.173 0.713 -8.507 1.00 0.00 O ATOM 471 CB ILE A 93 3.682 1.116 -6.506 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.213 1.051 -5.052 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.619 -0.269 -7.139 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.713 0.911 -4.907 1.00 0.00 C ATOM 0 H ILE A 93 4.260 3.438 -5.794 1.00 0.00 H new ATOM 0 HA ILE A 93 5.775 1.074 -5.982 1.00 0.00 H new ATOM 0 HB ILE A 93 3.018 1.778 -7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.698 0.208 -4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.538 1.953 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.602 -0.655 -7.070 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.912 -0.204 -8.187 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.298 -0.940 -6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.452 0.871 -3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.221 1.766 -5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.384 -0.006 -5.397 1.00 0.00 H new ATOM 486 N SER A 94 5.318 2.782 -8.745 1.00 0.00 N ATOM 487 CA SER A 94 5.708 2.907 -10.145 1.00 0.00 C ATOM 488 C SER A 94 7.225 2.969 -10.288 1.00 0.00 C ATOM 489 O SER A 94 7.808 2.251 -11.100 1.00 0.00 O ATOM 490 CB SER A 94 5.070 4.149 -10.769 1.00 0.00 C ATOM 491 OG SER A 94 3.678 3.966 -10.957 1.00 0.00 O ATOM 0 H SER A 94 4.835 3.598 -8.369 1.00 0.00 H new ATOM 0 HA SER A 94 5.350 2.023 -10.673 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.243 5.013 -10.127 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.545 4.364 -11.727 1.00 0.00 H new ATOM 0 HG SER A 94 3.218 4.050 -10.096 1.00 0.00 H new ATOM 497 N GLN A 95 7.862 3.836 -9.504 1.00 0.00 N ATOM 498 CA GLN A 95 9.313 3.971 -9.549 1.00 0.00 C ATOM 499 C GLN A 95 9.969 2.703 -9.017 1.00 0.00 C ATOM 500 O GLN A 95 11.034 2.298 -9.483 1.00 0.00 O ATOM 501 CB GLN A 95 9.768 5.186 -8.739 1.00 0.00 C ATOM 502 CG GLN A 95 11.229 5.551 -8.951 1.00 0.00 C ATOM 503 CD GLN A 95 11.551 5.871 -10.399 1.00 0.00 C ATOM 504 OE1 GLN A 95 11.971 5.000 -11.163 1.00 0.00 O ATOM 505 NE2 GLN A 95 11.351 7.125 -10.787 1.00 0.00 N ATOM 0 H GLN A 95 7.399 4.451 -8.835 1.00 0.00 H new ATOM 0 HA GLN A 95 9.617 4.120 -10.585 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.147 6.042 -9.004 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.602 4.988 -7.680 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.478 6.411 -8.330 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.857 4.725 -8.618 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.002 7.815 -10.122 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.546 7.398 -11.750 1.00 0.00 H new ATOM 514 N LYS A 96 9.324 2.082 -8.033 1.00 0.00 N ATOM 515 CA LYS A 96 9.826 0.842 -7.455 1.00 0.00 C ATOM 516 C LYS A 96 9.793 -0.263 -8.497 1.00 0.00 C ATOM 517 O LYS A 96 10.721 -1.064 -8.609 1.00 0.00 O ATOM 518 CB LYS A 96 8.968 0.409 -6.263 1.00 0.00 C ATOM 519 CG LYS A 96 9.263 1.146 -4.971 1.00 0.00 C ATOM 520 CD LYS A 96 8.518 0.512 -3.806 1.00 0.00 C ATOM 521 CE LYS A 96 9.476 -0.061 -2.774 1.00 0.00 C ATOM 522 NZ LYS A 96 10.461 -0.999 -3.379 1.00 0.00 N ATOM 0 H LYS A 96 8.454 2.418 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 96 10.848 1.018 -7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.918 0.554 -6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.112 -0.659 -6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.335 1.131 -4.775 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.972 2.192 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.877 1.257 -3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.867 -0.279 -4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.008 0.754 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.908 -0.581 -2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.731 -1.718 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.035 -1.464 -4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.306 -0.471 -3.676 1.00 0.00 H new ATOM 536 N LYS A 97 8.706 -0.288 -9.261 1.00 0.00 N ATOM 537 CA LYS A 97 8.507 -1.299 -10.284 1.00 0.00 C ATOM 538 C LYS A 97 8.427 -2.672 -9.628 1.00 0.00 C ATOM 539 O LYS A 97 9.315 -3.510 -9.784 1.00 0.00 O ATOM 540 CB LYS A 97 9.628 -1.250 -11.323 1.00 0.00 C ATOM 541 CG LYS A 97 9.137 -1.444 -12.750 1.00 0.00 C ATOM 542 CD LYS A 97 10.140 -0.918 -13.764 1.00 0.00 C ATOM 543 CE LYS A 97 9.793 -1.363 -15.176 1.00 0.00 C ATOM 544 NZ LYS A 97 8.470 -0.844 -15.618 1.00 0.00 N ATOM 0 H LYS A 97 7.946 0.388 -9.187 1.00 0.00 H new ATOM 0 HA LYS A 97 7.571 -1.101 -10.806 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.140 -0.290 -11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.362 -2.021 -11.091 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.956 -2.503 -12.932 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.184 -0.931 -12.880 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.165 0.171 -13.721 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.139 -1.270 -13.506 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.565 -1.019 -15.864 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.788 -2.452 -15.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.304 -1.115 -16.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.721 -1.247 -15.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.459 0.193 -15.536 1.00 0.00 H new ATOM 558 N VAL A 98 7.352 -2.875 -8.872 1.00 0.00 N ATOM 559 CA VAL A 98 7.127 -4.125 -8.160 1.00 0.00 C ATOM 560 C VAL A 98 5.816 -4.777 -8.589 1.00 0.00 C ATOM 561 O VAL A 98 5.083 -4.233 -9.415 1.00 0.00 O ATOM 562 CB VAL A 98 7.099 -3.891 -6.638 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.497 -3.591 -6.120 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.144 -2.758 -6.294 1.00 0.00 C ATOM 0 H VAL A 98 6.617 -2.181 -8.737 1.00 0.00 H new ATOM 0 HA VAL A 98 7.953 -4.791 -8.409 1.00 0.00 H new ATOM 0 HB VAL A 98 6.743 -4.800 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.459 -3.428 -5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.154 -4.433 -6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.882 -2.696 -6.609 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.135 -2.605 -5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.472 -1.843 -6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.140 -3.013 -6.632 1.00 0.00 H new ATOM 574 N LYS A 99 5.523 -5.941 -8.018 1.00 0.00 N ATOM 575 CA LYS A 99 4.303 -6.668 -8.352 1.00 0.00 C ATOM 576 C LYS A 99 3.182 -6.366 -7.364 1.00 0.00 C ATOM 577 O LYS A 99 2.496 -7.275 -6.894 1.00 0.00 O ATOM 578 CB LYS A 99 4.572 -8.170 -8.385 1.00 0.00 C ATOM 579 CG LYS A 99 5.632 -8.576 -9.394 1.00 0.00 C ATOM 580 CD LYS A 99 5.176 -9.765 -10.222 1.00 0.00 C ATOM 581 CE LYS A 99 6.334 -10.687 -10.565 1.00 0.00 C ATOM 582 NZ LYS A 99 7.085 -11.114 -9.351 1.00 0.00 N ATOM 0 H LYS A 99 6.112 -6.400 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 99 3.983 -6.336 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.883 -8.497 -7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.643 -8.692 -8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.853 -7.735 -10.051 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.557 -8.825 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.418 -10.322 -9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.708 -9.411 -11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.955 -11.567 -11.085 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.012 -10.178 -11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.490 -12.059 -9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.851 -10.437 -9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.439 -11.144 -8.536 1.00 0.00 H new ATOM 596 N ILE A 100 3.001 -5.091 -7.052 1.00 0.00 N ATOM 597 CA ILE A 100 1.950 -4.675 -6.136 1.00 0.00 C ATOM 598 C ILE A 100 1.021 -3.677 -6.817 1.00 0.00 C ATOM 599 O ILE A 100 1.297 -2.479 -6.847 1.00 0.00 O ATOM 600 CB ILE A 100 2.528 -4.040 -4.854 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.434 -5.038 -4.130 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.407 -3.574 -3.934 1.00 0.00 C ATOM 603 CD1 ILE A 100 4.084 -4.473 -2.885 1.00 0.00 C ATOM 0 H ILE A 100 3.568 -4.327 -7.420 1.00 0.00 H new ATOM 0 HA ILE A 100 1.392 -5.568 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 100 3.122 -3.171 -5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.849 -5.916 -3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.212 -5.374 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.835 -3.129 -3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.797 -2.833 -4.450 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.786 -4.426 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.712 -5.236 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.697 -3.612 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.312 -4.163 -2.180 1.00 0.00 H new ATOM 615 N GLU A 101 -0.075 -4.180 -7.376 1.00 0.00 N ATOM 616 CA GLU A 101 -1.034 -3.324 -8.057 1.00 0.00 C ATOM 617 C GLU A 101 -2.360 -3.297 -7.316 1.00 0.00 C ATOM 618 O GLU A 101 -2.630 -4.145 -6.466 1.00 0.00 O ATOM 619 CB GLU A 101 -1.255 -3.788 -9.500 1.00 0.00 C ATOM 620 CG GLU A 101 -2.057 -5.076 -9.623 1.00 0.00 C ATOM 621 CD GLU A 101 -2.738 -5.206 -10.972 1.00 0.00 C ATOM 622 OE1 GLU A 101 -3.884 -4.726 -11.106 1.00 0.00 O ATOM 623 OE2 GLU A 101 -2.127 -5.788 -11.893 1.00 0.00 O ATOM 0 H GLU A 101 -0.318 -5.170 -7.370 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.621 -2.315 -8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.769 -2.999 -10.049 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.285 -3.929 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.396 -5.929 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.809 -5.109 -8.835 1.00 0.00 H new ATOM 630 N LEU A 102 -3.188 -2.322 -7.654 1.00 0.00 N ATOM 631 CA LEU A 102 -4.490 -2.178 -7.029 1.00 0.00 C ATOM 632 C LEU A 102 -5.528 -3.057 -7.711 1.00 0.00 C ATOM 633 O LEU A 102 -5.559 -3.172 -8.937 1.00 0.00 O ATOM 634 CB LEU A 102 -4.947 -0.722 -7.080 1.00 0.00 C ATOM 635 CG LEU A 102 -6.415 -0.494 -6.713 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.614 -0.506 -5.208 1.00 0.00 C ATOM 637 CD2 LEU A 102 -6.911 0.798 -7.306 1.00 0.00 C ATOM 0 H LEU A 102 -2.979 -1.617 -8.361 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.394 -2.493 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.324 -0.137 -6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.775 -0.337 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.998 -1.314 -7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.667 -0.341 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.302 -1.470 -4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.016 0.285 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.957 0.945 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.317 1.627 -6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.819 0.759 -8.391 1.00 0.00 H new ATOM 649 N ASP A 103 -6.389 -3.652 -6.904 1.00 0.00 N ATOM 650 CA ASP A 103 -7.463 -4.482 -7.416 1.00 0.00 C ATOM 651 C ASP A 103 -8.662 -3.581 -7.650 1.00 0.00 C ATOM 652 O ASP A 103 -8.919 -2.679 -6.853 1.00 0.00 O ATOM 653 CB ASP A 103 -7.815 -5.593 -6.428 1.00 0.00 C ATOM 654 CG ASP A 103 -8.674 -6.680 -7.054 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.551 -6.903 -8.278 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.462 -7.313 -6.320 1.00 0.00 O ATOM 0 H ASP A 103 -6.364 -3.575 -5.887 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.156 -4.964 -8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.897 -6.037 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.342 -5.163 -5.576 1.00 0.00 H new ATOM 661 N LYS A 104 -9.387 -3.799 -8.733 1.00 0.00 N ATOM 662 CA LYS A 104 -10.531 -2.952 -9.037 1.00 0.00 C ATOM 663 C LYS A 104 -11.853 -3.578 -8.602 1.00 0.00 C ATOM 664 O LYS A 104 -12.895 -2.924 -8.648 1.00 0.00 O ATOM 665 CB LYS A 104 -10.552 -2.617 -10.526 1.00 0.00 C ATOM 666 CG LYS A 104 -9.313 -1.862 -10.981 1.00 0.00 C ATOM 667 CD LYS A 104 -9.651 -0.794 -12.005 1.00 0.00 C ATOM 668 CE LYS A 104 -10.135 -1.405 -13.309 1.00 0.00 C ATOM 669 NZ LYS A 104 -9.056 -2.163 -14.000 1.00 0.00 N ATOM 0 H LYS A 104 -9.210 -4.543 -9.408 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.419 -2.032 -8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.640 -3.540 -11.099 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.437 -2.019 -10.746 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.831 -1.400 -10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.596 -2.563 -11.409 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.420 -0.134 -11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.771 -0.179 -12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.975 -2.070 -13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.502 -0.616 -13.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.343 -2.361 -14.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.182 -1.599 -14.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.887 -3.060 -13.501 1.00 0.00 H new ATOM 683 N SER A 105 -11.818 -4.836 -8.174 1.00 0.00 N ATOM 684 CA SER A 105 -13.029 -5.510 -7.720 1.00 0.00 C ATOM 685 C SER A 105 -13.350 -5.140 -6.269 1.00 0.00 C ATOM 686 O SER A 105 -14.382 -5.545 -5.734 1.00 0.00 O ATOM 687 CB SER A 105 -12.875 -7.027 -7.837 1.00 0.00 C ATOM 688 OG SER A 105 -12.224 -7.564 -6.698 1.00 0.00 O ATOM 0 H SER A 105 -10.972 -5.405 -8.132 1.00 0.00 H new ATOM 0 HA SER A 105 -13.850 -5.182 -8.357 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.857 -7.488 -7.949 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.305 -7.270 -8.734 1.00 0.00 H new ATOM 0 HG SER A 105 -11.266 -7.360 -6.742 1.00 0.00 H new ATOM 694 N ALA A 106 -12.466 -4.364 -5.637 1.00 0.00 N ATOM 695 CA ALA A 106 -12.654 -3.959 -4.250 1.00 0.00 C ATOM 696 C ALA A 106 -13.786 -2.950 -4.098 1.00 0.00 C ATOM 697 O ALA A 106 -14.231 -2.338 -5.069 1.00 0.00 O ATOM 698 CB ALA A 106 -11.359 -3.384 -3.696 1.00 0.00 C ATOM 0 H ALA A 106 -11.614 -4.006 -6.068 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.931 -4.847 -3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.509 -3.084 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.575 -4.139 -3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.065 -2.516 -4.286 1.00 0.00 H new ATOM 704 N ARG A 107 -14.240 -2.787 -2.860 1.00 0.00 N ATOM 705 CA ARG A 107 -15.317 -1.858 -2.541 1.00 0.00 C ATOM 706 C ARG A 107 -14.811 -0.738 -1.634 1.00 0.00 C ATOM 707 O ARG A 107 -15.603 -0.010 -1.034 1.00 0.00 O ATOM 708 CB ARG A 107 -16.437 -2.601 -1.824 1.00 0.00 C ATOM 709 CG ARG A 107 -17.821 -2.013 -2.047 1.00 0.00 C ATOM 710 CD ARG A 107 -18.762 -2.291 -0.875 1.00 0.00 C ATOM 711 NE ARG A 107 -18.432 -3.528 -0.151 1.00 0.00 N ATOM 712 CZ ARG A 107 -19.325 -4.402 0.313 1.00 0.00 C ATOM 713 NH1 ARG A 107 -20.630 -4.208 0.151 1.00 0.00 N ATOM 714 NH2 ARG A 107 -18.903 -5.480 0.960 1.00 0.00 N ATOM 0 H ARG A 107 -13.874 -3.293 -2.053 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.686 -1.427 -3.472 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -16.439 -3.639 -2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.226 -2.608 -0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.737 -0.936 -2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -18.248 -2.429 -2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.727 -1.451 -0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -19.785 -2.356 -1.246 1.00 0.00 H new ATOM 0 HE ARG A 107 -17.445 -3.732 0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -20.965 -3.377 -0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -21.296 -4.890 0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -17.904 -5.633 1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -19.577 -6.156 1.319 1.00 0.00 H new ATOM 728 N HIS A 108 -13.491 -0.606 -1.529 1.00 0.00 N ATOM 729 CA HIS A 108 -12.896 0.411 -0.677 1.00 0.00 C ATOM 730 C HIS A 108 -11.422 0.594 -1.006 1.00 0.00 C ATOM 731 O HIS A 108 -10.848 -0.168 -1.782 1.00 0.00 O ATOM 732 CB HIS A 108 -13.040 0.008 0.793 1.00 0.00 C ATOM 733 CG HIS A 108 -12.209 -1.184 1.166 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.830 -1.181 1.129 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.568 -2.425 1.578 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.376 -2.365 1.501 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.410 -3.138 1.778 1.00 0.00 N ATOM 0 H HIS A 108 -12.817 -1.191 -2.024 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.416 1.352 -0.853 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.757 0.851 1.423 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.088 -0.208 1.002 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.576 -2.786 1.722 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.337 -2.651 1.567 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.358 -4.108 2.090 1.00 0.00 H new ATOM 746 N LEU A 109 -10.815 1.607 -0.401 1.00 0.00 N ATOM 747 CA LEU A 109 -9.401 1.883 -0.605 1.00 0.00 C ATOM 748 C LEU A 109 -8.693 2.016 0.737 1.00 0.00 C ATOM 749 O LEU A 109 -8.569 3.113 1.283 1.00 0.00 O ATOM 750 CB LEU A 109 -9.206 3.152 -1.435 1.00 0.00 C ATOM 751 CG LEU A 109 -9.711 3.070 -2.877 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.333 4.325 -3.646 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.155 1.833 -3.568 1.00 0.00 C ATOM 0 H LEU A 109 -11.282 2.252 0.236 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.966 1.048 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.715 3.976 -0.935 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.144 3.396 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.798 2.993 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.700 4.249 -4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.779 5.195 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.248 4.432 -3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.525 1.791 -4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.066 1.880 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.475 0.941 -3.030 1.00 0.00 H new ATOM 765 N TYR A 110 -8.249 0.886 1.270 1.00 0.00 N ATOM 766 CA TYR A 110 -7.551 0.857 2.549 1.00 0.00 C ATOM 767 C TYR A 110 -6.506 -0.248 2.556 1.00 0.00 C ATOM 768 O TYR A 110 -6.839 -1.432 2.535 1.00 0.00 O ATOM 769 CB TYR A 110 -8.538 0.645 3.700 1.00 0.00 C ATOM 770 CG TYR A 110 -9.405 1.848 3.992 1.00 0.00 C ATOM 771 CD1 TYR A 110 -8.926 2.905 4.754 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.706 1.924 3.510 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.716 4.005 5.027 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.503 3.021 3.777 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.004 4.058 4.537 1.00 0.00 C ATOM 776 OH TYR A 110 -11.796 5.151 4.806 1.00 0.00 O ATOM 0 H TYR A 110 -8.361 -0.029 0.833 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.055 1.818 2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.179 -0.204 3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.981 0.384 4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.918 2.867 5.140 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.101 1.112 2.917 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.327 4.819 5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.511 3.066 3.393 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.674 5.030 4.387 1.00 0.00 H new ATOM 786 N ILE A 111 -5.240 0.147 2.576 1.00 0.00 N ATOM 787 CA ILE A 111 -4.147 -0.812 2.584 1.00 0.00 C ATOM 788 C ILE A 111 -3.768 -1.194 4.008 1.00 0.00 C ATOM 789 O ILE A 111 -4.276 -0.621 4.972 1.00 0.00 O ATOM 790 CB ILE A 111 -2.904 -0.251 1.869 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.428 1.030 2.556 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.210 0.009 0.401 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.169 1.610 1.949 1.00 0.00 C ATOM 0 H ILE A 111 -4.946 1.124 2.587 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.496 -1.697 2.051 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.105 -0.990 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.222 1.775 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.250 0.822 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.322 0.405 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.506 -0.924 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.022 0.732 0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.890 2.517 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.361 0.882 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.348 1.850 0.901 1.00 0.00 H new ATOM 805 N CYS A 112 -2.878 -2.168 4.131 1.00 0.00 N ATOM 806 CA CYS A 112 -2.424 -2.623 5.436 1.00 0.00 C ATOM 807 C CYS A 112 -1.222 -1.808 5.898 1.00 0.00 C ATOM 808 O CYS A 112 -0.629 -1.064 5.117 1.00 0.00 O ATOM 809 CB CYS A 112 -2.061 -4.107 5.380 1.00 0.00 C ATOM 810 SG CYS A 112 -0.926 -4.535 4.040 1.00 0.00 S ATOM 0 H CYS A 112 -2.456 -2.658 3.342 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.234 -2.483 6.152 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.612 -4.397 6.330 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -2.975 -4.690 5.269 1.00 0.00 H new ATOM 815 N ASP A 113 -0.871 -1.947 7.170 1.00 0.00 N ATOM 816 CA ASP A 113 0.265 -1.227 7.728 1.00 0.00 C ATOM 817 C ASP A 113 1.562 -1.701 7.081 1.00 0.00 C ATOM 818 O ASP A 113 2.482 -0.916 6.851 1.00 0.00 O ATOM 819 CB ASP A 113 0.326 -1.431 9.243 1.00 0.00 C ATOM 820 CG ASP A 113 1.364 -0.550 9.909 1.00 0.00 C ATOM 821 OD1 ASP A 113 1.864 0.383 9.246 1.00 0.00 O ATOM 822 OD2 ASP A 113 1.677 -0.792 11.093 1.00 0.00 O ATOM 0 H ASP A 113 -1.356 -2.551 7.833 1.00 0.00 H new ATOM 0 HA ASP A 113 0.140 -0.164 7.521 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.653 -1.221 9.674 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.551 -2.476 9.456 1.00 0.00 H new ATOM 827 N TYR A 114 1.615 -2.995 6.784 1.00 0.00 N ATOM 828 CA TYR A 114 2.785 -3.601 6.160 1.00 0.00 C ATOM 829 C TYR A 114 3.177 -2.864 4.883 1.00 0.00 C ATOM 830 O TYR A 114 4.292 -2.357 4.765 1.00 0.00 O ATOM 831 CB TYR A 114 2.495 -5.070 5.843 1.00 0.00 C ATOM 832 CG TYR A 114 3.650 -5.804 5.198 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.703 -6.290 5.963 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.683 -6.016 3.826 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.757 -6.966 5.377 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.733 -6.692 3.232 1.00 0.00 C ATOM 837 CZ TYR A 114 5.767 -7.164 4.012 1.00 0.00 C ATOM 838 OH TYR A 114 6.814 -7.839 3.426 1.00 0.00 O ATOM 0 H TYR A 114 0.854 -3.649 6.967 1.00 0.00 H new ATOM 0 HA TYR A 114 3.619 -3.532 6.859 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.223 -5.583 6.766 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.630 -5.124 5.182 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.698 -6.137 7.032 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.875 -5.647 3.212 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.569 -7.337 5.985 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.743 -6.849 2.164 1.00 0.00 H new ATOM 0 HH TYR A 114 6.667 -7.894 2.459 1.00 0.00 H new ATOM 848 N HIS A 115 2.251 -2.805 3.932 1.00 0.00 N ATOM 849 CA HIS A 115 2.505 -2.141 2.659 1.00 0.00 C ATOM 850 C HIS A 115 2.677 -0.633 2.832 1.00 0.00 C ATOM 851 O HIS A 115 3.453 -0.008 2.112 1.00 0.00 O ATOM 852 CB HIS A 115 1.377 -2.441 1.669 1.00 0.00 C ATOM 853 CG HIS A 115 1.428 -3.834 1.117 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.285 -4.562 0.886 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.505 -4.578 0.763 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.687 -5.722 0.400 1.00 0.00 C ATOM 857 NE2 HIS A 115 2.025 -5.779 0.308 1.00 0.00 N ATOM 0 H HIS A 115 1.318 -3.209 4.019 1.00 0.00 H new ATOM 0 HA HIS A 115 3.441 -2.534 2.261 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.418 -2.289 2.164 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.427 -1.729 0.845 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.542 -4.282 0.827 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.023 -6.524 0.113 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.578 -6.565 -0.034 1.00 0.00 H new ATOM 865 N LYS A 116 1.958 -0.048 3.786 1.00 0.00 N ATOM 866 CA LYS A 116 2.060 1.387 4.030 1.00 0.00 C ATOM 867 C LYS A 116 3.502 1.775 4.333 1.00 0.00 C ATOM 868 O LYS A 116 4.064 2.665 3.698 1.00 0.00 O ATOM 869 CB LYS A 116 1.164 1.813 5.197 1.00 0.00 C ATOM 870 CG LYS A 116 1.044 3.323 5.342 1.00 0.00 C ATOM 871 CD LYS A 116 0.571 3.727 6.732 1.00 0.00 C ATOM 872 CE LYS A 116 1.709 3.715 7.742 1.00 0.00 C ATOM 873 NZ LYS A 116 2.772 4.702 7.399 1.00 0.00 N ATOM 0 H LYS A 116 1.305 -0.539 4.397 1.00 0.00 H new ATOM 0 HA LYS A 116 1.728 1.900 3.127 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.170 1.388 5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.561 1.396 6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.010 3.785 5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.346 3.704 4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.132 4.724 6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.214 3.046 7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.315 3.937 8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.143 2.716 7.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.306 4.949 8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.417 4.287 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.335 5.559 7.004 1.00 0.00 H new ATOM 887 N ASN A 117 4.093 1.089 5.305 1.00 0.00 N ATOM 888 CA ASN A 117 5.467 1.354 5.715 1.00 0.00 C ATOM 889 C ASN A 117 6.460 0.926 4.637 1.00 0.00 C ATOM 890 O ASN A 117 7.419 1.639 4.341 1.00 0.00 O ATOM 891 CB ASN A 117 5.761 0.618 7.025 1.00 0.00 C ATOM 892 CG ASN A 117 7.037 1.089 7.692 1.00 0.00 C ATOM 893 OD1 ASN A 117 8.100 1.128 7.072 1.00 0.00 O ATOM 894 ND2 ASN A 117 6.936 1.457 8.963 1.00 0.00 N ATOM 0 H ASN A 117 3.638 0.340 5.827 1.00 0.00 H new ATOM 0 HA ASN A 117 5.581 2.428 5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.925 0.759 7.710 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.834 -0.451 6.827 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.760 1.789 9.465 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.035 1.408 9.438 1.00 0.00 H new ATOM 901 N LEU A 118 6.216 -0.238 4.051 1.00 0.00 N ATOM 902 CA LEU A 118 7.086 -0.781 3.013 1.00 0.00 C ATOM 903 C LEU A 118 7.238 0.190 1.841 1.00 0.00 C ATOM 904 O LEU A 118 8.332 0.362 1.303 1.00 0.00 O ATOM 905 CB LEU A 118 6.516 -2.114 2.515 1.00 0.00 C ATOM 906 CG LEU A 118 7.481 -3.002 1.724 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.919 -4.410 1.594 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.753 -2.414 0.347 1.00 0.00 C ATOM 0 H LEU A 118 5.417 -0.830 4.278 1.00 0.00 H new ATOM 0 HA LEU A 118 8.074 -0.937 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.158 -2.678 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.649 -1.905 1.888 1.00 0.00 H new ATOM 0 HG LEU A 118 8.424 -3.049 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.616 -5.029 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.775 -4.838 2.586 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.962 -4.373 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.441 -3.062 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.817 -2.334 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.196 -1.424 0.455 1.00 0.00 H new ATOM 920 N ILE A 119 6.142 0.840 1.467 1.00 0.00 N ATOM 921 CA ILE A 119 6.145 1.759 0.331 1.00 0.00 C ATOM 922 C ILE A 119 6.545 3.189 0.706 1.00 0.00 C ATOM 923 O ILE A 119 7.291 3.838 -0.025 1.00 0.00 O ATOM 924 CB ILE A 119 4.761 1.788 -0.339 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.320 0.363 -0.679 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.793 2.656 -1.588 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.872 0.257 -1.102 1.00 0.00 C ATOM 0 H ILE A 119 5.239 0.749 1.933 1.00 0.00 H new ATOM 0 HA ILE A 119 6.898 1.378 -0.359 1.00 0.00 H new ATOM 0 HB ILE A 119 4.039 2.221 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.952 -0.022 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.483 -0.275 0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.806 2.666 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.077 3.673 -1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.519 2.252 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.634 -0.783 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.230 0.610 -0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.707 0.867 -1.990 1.00 0.00 H new ATOM 939 N GLN A 120 6.052 3.676 1.838 1.00 0.00 N ATOM 940 CA GLN A 120 6.344 5.044 2.273 1.00 0.00 C ATOM 941 C GLN A 120 7.818 5.269 2.611 1.00 0.00 C ATOM 942 O GLN A 120 8.382 6.309 2.268 1.00 0.00 O ATOM 943 CB GLN A 120 5.508 5.406 3.509 1.00 0.00 C ATOM 944 CG GLN A 120 4.290 6.262 3.206 1.00 0.00 C ATOM 945 CD GLN A 120 3.476 6.598 4.448 1.00 0.00 C ATOM 946 OE1 GLN A 120 2.249 6.652 4.397 1.00 0.00 O ATOM 947 NE2 GLN A 120 4.152 6.846 5.569 1.00 0.00 N ATOM 0 H GLN A 120 5.450 3.150 2.472 1.00 0.00 H new ATOM 0 HA GLN A 120 6.089 5.683 1.428 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.181 4.487 3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.142 5.934 4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.613 7.187 2.728 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.654 5.739 2.492 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.171 6.791 5.573 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.651 7.090 6.423 1.00 0.00 H new ATOM 956 N SER A 121 8.441 4.298 3.269 1.00 0.00 N ATOM 957 CA SER A 121 9.827 4.454 3.720 1.00 0.00 C ATOM 958 C SER A 121 10.877 4.144 2.650 1.00 0.00 C ATOM 959 O SER A 121 12.054 3.992 2.975 1.00 0.00 O ATOM 960 CB SER A 121 10.079 3.585 4.950 1.00 0.00 C ATOM 961 OG SER A 121 10.345 2.244 4.586 1.00 0.00 O ATOM 0 H SER A 121 8.017 3.400 3.503 1.00 0.00 H new ATOM 0 HA SER A 121 9.941 5.511 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 121 10.922 3.985 5.514 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.210 3.620 5.607 1.00 0.00 H new ATOM 0 HG SER A 121 9.500 1.777 4.419 1.00 0.00 H new ATOM 967 N VAL A 122 10.478 4.051 1.390 1.00 0.00 N ATOM 968 CA VAL A 122 11.446 3.789 0.329 1.00 0.00 C ATOM 969 C VAL A 122 11.894 5.098 -0.325 1.00 0.00 C ATOM 970 O VAL A 122 12.921 5.147 -1.002 1.00 0.00 O ATOM 971 CB VAL A 122 10.898 2.815 -0.730 1.00 0.00 C ATOM 972 CG1 VAL A 122 11.895 2.637 -1.870 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.580 1.475 -0.081 1.00 0.00 C ATOM 0 H VAL A 122 9.512 4.150 1.079 1.00 0.00 H new ATOM 0 HA VAL A 122 12.310 3.311 0.791 1.00 0.00 H new ATOM 0 HB VAL A 122 9.982 3.232 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.486 1.945 -2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.082 3.601 -2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 122 12.830 2.238 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.192 0.789 -0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.487 1.058 0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.832 1.617 0.699 1.00 0.00 H new ATOM 983 N ARG A 123 11.107 6.154 -0.127 1.00 0.00 N ATOM 984 CA ARG A 123 11.435 7.472 -0.651 1.00 0.00 C ATOM 985 C ARG A 123 11.736 8.446 0.495 1.00 0.00 C ATOM 986 O ARG A 123 12.113 9.595 0.261 1.00 0.00 O ATOM 987 CB ARG A 123 10.287 8.000 -1.512 1.00 0.00 C ATOM 988 CG ARG A 123 9.802 6.990 -2.537 1.00 0.00 C ATOM 989 CD ARG A 123 8.913 7.629 -3.594 1.00 0.00 C ATOM 990 NE ARG A 123 9.630 8.627 -4.390 1.00 0.00 N ATOM 991 CZ ARG A 123 9.538 8.754 -5.719 1.00 0.00 C ATOM 992 NH1 ARG A 123 8.763 7.949 -6.438 1.00 0.00 N ATOM 993 NH2 ARG A 123 10.230 9.703 -6.335 1.00 0.00 N ATOM 0 H ARG A 123 10.232 6.118 0.397 1.00 0.00 H new ATOM 0 HA ARG A 123 12.326 7.386 -1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.455 8.282 -0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.612 8.904 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 123 10.661 6.523 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 123 9.251 6.197 -2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 123 8.521 6.854 -4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.057 8.099 -3.110 1.00 0.00 H new ATOM 0 HE ARG A 123 10.245 9.273 -3.895 1.00 0.00 H new ATOM 0 HH11 ARG A 123 8.223 7.216 -5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 123 8.708 8.064 -7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 123 10.827 10.330 -5.796 1.00 0.00 H new ATOM 0 HH22 ARG A 123 10.165 9.806 -7.348 1.00 0.00 H new ATOM 1007 N ASN A 124 11.564 7.976 1.735 1.00 0.00 N ATOM 1008 CA ASN A 124 11.823 8.784 2.920 1.00 0.00 C ATOM 1009 C ASN A 124 12.462 7.918 4.006 1.00 0.00 C ATOM 1010 O ASN A 124 11.823 7.015 4.545 1.00 0.00 O ATOM 1011 CB ASN A 124 10.518 9.407 3.428 1.00 0.00 C ATOM 1012 CG ASN A 124 10.673 10.078 4.781 1.00 0.00 C ATOM 1013 OD1 ASN A 124 11.179 11.196 4.877 1.00 0.00 O ATOM 1014 ND2 ASN A 124 10.227 9.399 5.832 1.00 0.00 N ATOM 0 H ASN A 124 11.243 7.030 1.940 1.00 0.00 H new ATOM 0 HA ASN A 124 12.512 9.589 2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.164 10.140 2.703 1.00 0.00 H new ATOM 0 HB3 ASN A 124 9.754 8.633 3.497 1.00 0.00 H new ATOM 0 HD21 ASN A 124 10.297 9.802 6.766 1.00 0.00 H new ATOM 0 HD22 ASN A 124 9.815 8.475 5.705 1.00 0.00 H new ATOM 1021 N ARG A 125 13.723 8.194 4.320 1.00 0.00 N ATOM 1022 CA ARG A 125 14.444 7.418 5.325 1.00 0.00 C ATOM 1023 C ARG A 125 13.815 7.575 6.710 1.00 0.00 C ATOM 1024 O ARG A 125 13.173 6.655 7.216 1.00 0.00 O ATOM 1025 CB ARG A 125 15.920 7.820 5.358 1.00 0.00 C ATOM 1026 CG ARG A 125 16.834 6.711 5.854 1.00 0.00 C ATOM 1027 CD ARG A 125 17.940 7.257 6.740 1.00 0.00 C ATOM 1028 NE ARG A 125 19.199 7.419 6.014 1.00 0.00 N ATOM 1029 CZ ARG A 125 20.085 8.389 6.252 1.00 0.00 C ATOM 1030 NH1 ARG A 125 19.861 9.304 7.188 1.00 0.00 N ATOM 1031 NH2 ARG A 125 21.207 8.441 5.549 1.00 0.00 N ATOM 0 H ARG A 125 14.266 8.946 3.896 1.00 0.00 H new ATOM 0 HA ARG A 125 14.374 6.367 5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 125 16.231 8.117 4.356 1.00 0.00 H new ATOM 0 HB3 ARG A 125 16.037 8.693 6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 125 16.250 5.978 6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 125 17.272 6.191 5.002 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.633 8.219 7.151 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.093 6.584 7.584 1.00 0.00 H new ATOM 0 HE ARG A 125 19.414 6.747 5.278 1.00 0.00 H new ATOM 0 HH11 ARG A 125 19.002 9.272 7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 125 20.548 10.039 7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 125 21.391 7.742 4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 125 21.887 9.180 5.727 1.00 0.00 H new ATOM 1045 N ARG A 126 13.999 8.743 7.322 1.00 0.00 N ATOM 1046 CA ARG A 126 13.447 9.010 8.646 1.00 0.00 C ATOM 1047 C ARG A 126 12.486 10.192 8.598 1.00 0.00 C ATOM 1048 O ARG A 126 12.502 10.975 7.648 1.00 0.00 O ATOM 1049 CB ARG A 126 14.573 9.297 9.646 1.00 0.00 C ATOM 1050 CG ARG A 126 14.974 8.094 10.489 1.00 0.00 C ATOM 1051 CD ARG A 126 16.414 8.213 10.963 1.00 0.00 C ATOM 1052 NE ARG A 126 16.752 7.231 11.992 1.00 0.00 N ATOM 1053 CZ ARG A 126 17.359 6.067 11.752 1.00 0.00 C ATOM 1054 NH1 ARG A 126 17.622 5.681 10.507 1.00 0.00 N ATOM 1055 NH2 ARG A 126 17.685 5.274 12.762 1.00 0.00 N ATOM 0 H ARG A 126 14.526 9.519 6.921 1.00 0.00 H new ATOM 0 HA ARG A 126 12.900 8.125 8.971 1.00 0.00 H new ATOM 0 HB2 ARG A 126 15.447 9.653 9.101 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.260 10.104 10.309 1.00 0.00 H new ATOM 0 HG2 ARG A 126 14.310 8.012 11.350 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.854 7.181 9.906 1.00 0.00 H new ATOM 0 HD2 ARG A 126 17.084 8.087 10.112 1.00 0.00 H new ATOM 0 HD3 ARG A 126 16.582 9.216 11.355 1.00 0.00 H new ATOM 0 HE ARG A 126 16.508 7.450 12.958 1.00 0.00 H new ATOM 0 HH11 ARG A 126 17.359 6.277 9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 126 18.086 4.789 10.337 1.00 0.00 H new ATOM 0 HH21 ARG A 126 17.472 5.554 13.719 1.00 0.00 H new ATOM 0 HH22 ARG A 126 18.149 4.384 12.582 1.00 0.00 H new ATOM 1069 N LYS A 127 11.645 10.314 9.620 1.00 0.00 N ATOM 1070 CA LYS A 127 10.684 11.409 9.693 1.00 0.00 C ATOM 1071 C LYS A 127 11.375 12.675 10.187 1.00 0.00 C ATOM 1072 O LYS A 127 11.523 13.649 9.449 1.00 0.00 O ATOM 1073 CB LYS A 127 9.526 11.038 10.623 1.00 0.00 C ATOM 1074 CG LYS A 127 8.210 11.702 10.254 1.00 0.00 C ATOM 1075 CD LYS A 127 7.878 12.856 11.187 1.00 0.00 C ATOM 1076 CE LYS A 127 7.768 12.394 12.631 1.00 0.00 C ATOM 1077 NZ LYS A 127 7.155 11.041 12.738 1.00 0.00 N ATOM 0 H LYS A 127 11.609 9.668 10.409 1.00 0.00 H new ATOM 0 HA LYS A 127 10.282 11.593 8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.393 9.956 10.610 1.00 0.00 H new ATOM 0 HB3 LYS A 127 9.789 11.315 11.644 1.00 0.00 H new ATOM 0 HG2 LYS A 127 8.262 12.067 9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 127 7.408 10.964 10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.649 13.622 11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.939 13.315 10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.759 12.380 13.084 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.170 13.109 13.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 6.774 10.907 13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 6.385 10.953 12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 7.877 10.317 12.548 1.00 0.00 H new ATOM 1091 N ARG A 128 11.798 12.647 11.445 1.00 0.00 N ATOM 1092 CA ARG A 128 12.501 13.768 12.053 1.00 0.00 C ATOM 1093 C ARG A 128 13.341 13.275 13.222 1.00 0.00 C ATOM 1094 O ARG A 128 12.807 12.856 14.249 1.00 0.00 O ATOM 1095 CB ARG A 128 11.523 14.844 12.530 1.00 0.00 C ATOM 1096 CG ARG A 128 12.210 16.024 13.204 1.00 0.00 C ATOM 1097 CD ARG A 128 12.982 16.872 12.202 1.00 0.00 C ATOM 1098 NE ARG A 128 14.256 17.340 12.746 1.00 0.00 N ATOM 1099 CZ ARG A 128 14.887 18.438 12.332 1.00 0.00 C ATOM 1100 NH1 ARG A 128 14.361 19.199 11.380 1.00 0.00 N ATOM 1101 NH2 ARG A 128 16.051 18.777 12.872 1.00 0.00 N ATOM 0 H ARG A 128 11.664 11.851 12.069 1.00 0.00 H new ATOM 0 HA ARG A 128 13.150 14.213 11.299 1.00 0.00 H new ATOM 0 HB2 ARG A 128 10.947 15.206 11.678 1.00 0.00 H new ATOM 0 HB3 ARG A 128 10.814 14.398 13.228 1.00 0.00 H new ATOM 0 HG2 ARG A 128 11.465 16.641 13.706 1.00 0.00 H new ATOM 0 HG3 ARG A 128 12.891 15.658 13.973 1.00 0.00 H new ATOM 0 HD2 ARG A 128 13.166 16.289 11.299 1.00 0.00 H new ATOM 0 HD3 ARG A 128 12.376 17.729 11.910 1.00 0.00 H new ATOM 0 HE ARG A 128 14.689 16.791 13.489 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.467 18.945 10.960 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.851 20.038 11.069 1.00 0.00 H new ATOM 0 HH21 ARG A 128 16.462 18.197 13.604 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.535 19.617 12.555 1.00 0.00 H new ATOM 1115 N LYS A 129 14.657 13.316 13.059 1.00 0.00 N ATOM 1116 CA LYS A 129 15.565 12.863 14.103 1.00 0.00 C ATOM 1117 C LYS A 129 17.007 13.192 13.738 1.00 0.00 C ATOM 1118 O LYS A 129 17.755 13.742 14.546 1.00 0.00 O ATOM 1119 CB LYS A 129 15.413 11.355 14.310 1.00 0.00 C ATOM 1120 CG LYS A 129 15.732 10.899 15.722 1.00 0.00 C ATOM 1121 CD LYS A 129 14.506 10.967 16.618 1.00 0.00 C ATOM 1122 CE LYS A 129 14.881 10.837 18.084 1.00 0.00 C ATOM 1123 NZ LYS A 129 15.874 9.752 18.308 1.00 0.00 N ATOM 0 H LYS A 129 15.118 13.658 12.216 1.00 0.00 H new ATOM 0 HA LYS A 129 15.313 13.380 15.029 1.00 0.00 H new ATOM 0 HB2 LYS A 129 14.391 11.065 14.066 1.00 0.00 H new ATOM 0 HB3 LYS A 129 16.068 10.833 13.612 1.00 0.00 H new ATOM 0 HG2 LYS A 129 16.111 9.877 15.699 1.00 0.00 H new ATOM 0 HG3 LYS A 129 16.523 11.523 16.137 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.988 11.912 16.456 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.811 10.172 16.347 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.290 11.783 18.439 1.00 0.00 H new ATOM 0 HE3 LYS A 129 13.985 10.636 18.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 15.890 9.499 19.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.609 8.918 17.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.817 10.080 18.018 1.00 0.00 H new ATOM 1137 N GLY A 130 17.386 12.847 12.513 1.00 0.00 N ATOM 1138 CA GLY A 130 18.735 13.102 12.047 1.00 0.00 C ATOM 1139 C GLY A 130 19.128 12.176 10.915 1.00 0.00 C ATOM 1140 O GLY A 130 18.512 12.193 9.849 1.00 0.00 O ATOM 0 H GLY A 130 16.779 12.393 11.831 1.00 0.00 H new ATOM 0 HA2 GLY A 130 18.814 14.137 11.713 1.00 0.00 H new ATOM 0 HA3 GLY A 130 19.434 12.980 12.875 1.00 0.00 H new ATOM 1144 N SER A 131 20.153 11.362 11.146 1.00 0.00 N ATOM 1145 CA SER A 131 20.618 10.418 10.139 1.00 0.00 C ATOM 1146 C SER A 131 19.732 9.180 10.112 1.00 0.00 C ATOM 1147 O SER A 131 20.082 8.186 10.784 1.00 0.00 O ATOM 1148 CB SER A 131 22.066 10.013 10.413 1.00 0.00 C ATOM 1149 OG SER A 131 22.393 8.809 9.742 1.00 0.00 O ATOM 1150 OXT SER A 131 18.696 9.218 9.420 1.00 0.00 O ATOM 0 H SER A 131 20.676 11.338 12.021 1.00 0.00 H new ATOM 0 HA SER A 131 20.565 10.908 9.167 1.00 0.00 H new ATOM 0 HB2 SER A 131 22.737 10.808 10.088 1.00 0.00 H new ATOM 0 HB3 SER A 131 22.215 9.888 11.485 1.00 0.00 H new ATOM 0 HG SER A 131 21.883 8.068 10.132 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.117 -5.477 1.946 1.00 0.00 ZN