USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 117 ASN : amide:sc= -0.596 K(o=-0.16,f=0.46) USER MOD Set 1.2: A 121 SER OG : rot 92:sc= 0.437 USER MOD Set 2.1: A 116 LYS NZ :NH3+ 151:sc= -0.0805 (180deg=-0.757) USER MOD Set 2.2: A 120 GLN : amide:sc= -0.748 K(o=-0.83,f=-3.2) USER MOD Set 3.1: A 65 GLN : amide:sc=-0.00967 X(o=-4.3,f=-4) USER MOD Set 3.2: A 68 CYS SG : rot 160:sc= -2.52 USER MOD Set 3.3: A 108 HIS : no HD1:sc= -1.73 X(o=-4.3,f=-3.9!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.174 USER MOD Single : A 62 ASN : amide:sc= -0.431 K(o=-0.43,f=-2!) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0495 USER MOD Single : A 86 SER OG : rot 82:sc= 0.938 USER MOD Single : A 87 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00054) USER MOD Single : A 90 GLN : amide:sc= -0.554 K(o=-0.55,f=-1.4) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.0131 (180deg=-0.416) USER MOD Single : A 92 SER OG : rot -161:sc= 0.00174 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.239 K(o=-0.24,f=-0.82) USER MOD Single : A 96 LYS NZ :NH3+ -114:sc= -0.992 (180deg=-1.63) USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= 0.00785 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= -0.356 (180deg=-1.08) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 37:sc= 0.484 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot -178:sc= 0.0618 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ -162:sc= -0.353 (180deg=-1.08) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -14.901 -8.641 7.303 1.00 0.00 N ATOM 2 CA SER A 61 -15.828 -8.217 8.375 1.00 0.00 C ATOM 3 C SER A 61 -16.205 -6.745 8.238 1.00 0.00 C ATOM 4 O SER A 61 -16.011 -6.133 7.186 1.00 0.00 O ATOM 5 CB SER A 61 -15.217 -8.476 9.749 1.00 0.00 C ATOM 6 OG SER A 61 -16.235 -8.661 10.717 1.00 0.00 O ATOM 0 HA SER A 61 -16.737 -8.810 8.275 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.579 -9.359 9.710 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.582 -7.637 10.035 1.00 0.00 H new ATOM 0 HG SER A 61 -15.827 -8.828 11.593 1.00 0.00 H new ATOM 14 N ASN A 62 -16.742 -6.184 9.316 1.00 0.00 N ATOM 15 CA ASN A 62 -17.193 -4.795 9.325 1.00 0.00 C ATOM 16 C ASN A 62 -16.192 -3.890 10.037 1.00 0.00 C ATOM 17 O ASN A 62 -16.112 -2.693 9.759 1.00 0.00 O ATOM 18 CB ASN A 62 -18.566 -4.711 9.997 1.00 0.00 C ATOM 19 CG ASN A 62 -19.426 -5.930 9.695 1.00 0.00 C ATOM 20 OD1 ASN A 62 -19.275 -6.564 8.650 1.00 0.00 O ATOM 21 ND2 ASN A 62 -20.319 -6.270 10.616 1.00 0.00 N ATOM 0 H ASN A 62 -16.877 -6.673 10.201 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.271 -4.448 8.295 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.436 -4.617 11.075 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -19.081 -3.812 9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.914 -7.086 10.473 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -20.410 -5.716 11.467 1.00 0.00 H new ATOM 28 N ALA A 63 -15.443 -4.468 10.967 1.00 0.00 N ATOM 29 CA ALA A 63 -14.427 -3.730 11.708 1.00 0.00 C ATOM 30 C ALA A 63 -13.108 -4.488 11.655 1.00 0.00 C ATOM 31 O ALA A 63 -12.656 -5.050 12.652 1.00 0.00 O ATOM 32 CB ALA A 63 -14.862 -3.502 13.147 1.00 0.00 C ATOM 0 H ALA A 63 -15.520 -5.451 11.228 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.294 -2.752 11.246 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.087 -2.950 13.678 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -15.789 -2.930 13.160 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.022 -4.463 13.635 1.00 0.00 H new ATOM 38 N GLY A 64 -12.509 -4.507 10.470 1.00 0.00 N ATOM 39 CA GLY A 64 -11.258 -5.211 10.266 1.00 0.00 C ATOM 40 C GLY A 64 -11.210 -5.853 8.895 1.00 0.00 C ATOM 41 O GLY A 64 -11.072 -7.070 8.770 1.00 0.00 O ATOM 0 H GLY A 64 -12.873 -4.042 9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.425 -4.517 10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.138 -5.976 11.033 1.00 0.00 H new ATOM 45 N GLN A 65 -11.338 -5.024 7.864 1.00 0.00 N ATOM 46 CA GLN A 65 -11.330 -5.491 6.482 1.00 0.00 C ATOM 47 C GLN A 65 -10.001 -6.137 6.113 1.00 0.00 C ATOM 48 O GLN A 65 -9.112 -6.294 6.950 1.00 0.00 O ATOM 49 CB GLN A 65 -11.603 -4.324 5.533 1.00 0.00 C ATOM 50 CG GLN A 65 -12.949 -3.652 5.747 1.00 0.00 C ATOM 51 CD GLN A 65 -13.961 -4.026 4.683 1.00 0.00 C ATOM 52 OE1 GLN A 65 -14.016 -5.172 4.234 1.00 0.00 O ATOM 53 NE2 GLN A 65 -14.756 -3.052 4.257 1.00 0.00 N ATOM 0 H GLN A 65 -11.450 -4.015 7.962 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.114 -6.242 6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.815 -3.581 5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.548 -4.685 4.506 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.338 -3.929 6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.815 -2.570 5.752 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.676 -2.117 4.657 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.447 -3.239 3.530 1.00 0.00 H new ATOM 62 N LEU A 66 -9.880 -6.509 4.843 1.00 0.00 N ATOM 63 CA LEU A 66 -8.667 -7.132 4.332 1.00 0.00 C ATOM 64 C LEU A 66 -7.987 -6.219 3.314 1.00 0.00 C ATOM 65 O LEU A 66 -8.644 -5.424 2.641 1.00 0.00 O ATOM 66 CB LEU A 66 -8.992 -8.479 3.684 1.00 0.00 C ATOM 67 CG LEU A 66 -9.661 -9.501 4.606 1.00 0.00 C ATOM 68 CD1 LEU A 66 -10.008 -10.767 3.838 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.758 -9.824 5.787 1.00 0.00 C ATOM 0 H LEU A 66 -10.614 -6.388 4.145 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.988 -7.296 5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.644 -8.304 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.068 -8.911 3.299 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.585 -9.067 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.483 -11.482 4.510 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.692 -10.523 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.098 -11.204 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.249 -10.552 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.817 -10.238 5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.559 -8.914 6.353 1.00 0.00 H new ATOM 81 N CYS A 67 -6.670 -6.339 3.212 1.00 0.00 N ATOM 82 CA CYS A 67 -5.891 -5.534 2.276 1.00 0.00 C ATOM 83 C CYS A 67 -6.403 -5.716 0.846 1.00 0.00 C ATOM 84 O CYS A 67 -6.731 -6.829 0.436 1.00 0.00 O ATOM 85 CB CYS A 67 -4.417 -5.931 2.369 1.00 0.00 C ATOM 86 SG CYS A 67 -3.330 -5.035 1.241 1.00 0.00 S ATOM 0 H CYS A 67 -6.115 -6.989 3.768 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.999 -4.482 2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.073 -5.769 3.391 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.328 -6.999 2.169 1.00 0.00 H new ATOM 91 N CYS A 68 -6.465 -4.620 0.086 1.00 0.00 N ATOM 92 CA CYS A 68 -6.953 -4.671 -1.293 1.00 0.00 C ATOM 93 C CYS A 68 -5.815 -4.616 -2.311 1.00 0.00 C ATOM 94 O CYS A 68 -5.998 -4.158 -3.438 1.00 0.00 O ATOM 95 CB CYS A 68 -7.948 -3.540 -1.555 1.00 0.00 C ATOM 96 SG CYS A 68 -9.661 -3.980 -1.181 1.00 0.00 S ATOM 0 H CYS A 68 -6.185 -3.691 0.401 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.458 -5.629 -1.417 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.666 -2.674 -0.957 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.879 -3.242 -2.601 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.361 -2.897 -1.016 1.00 0.00 H new ATOM 102 N LEU A 69 -4.643 -5.082 -1.905 1.00 0.00 N ATOM 103 CA LEU A 69 -3.485 -5.125 -2.785 1.00 0.00 C ATOM 104 C LEU A 69 -3.109 -6.573 -3.060 1.00 0.00 C ATOM 105 O LEU A 69 -3.536 -7.477 -2.341 1.00 0.00 O ATOM 106 CB LEU A 69 -2.299 -4.388 -2.166 1.00 0.00 C ATOM 107 CG LEU A 69 -2.517 -2.896 -1.946 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.356 -2.297 -1.166 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.691 -2.181 -3.277 1.00 0.00 C ATOM 0 H LEU A 69 -4.469 -5.438 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.742 -4.629 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.061 -4.851 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.430 -4.523 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.428 -2.763 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.529 -1.231 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.276 -2.790 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.430 -2.441 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.846 -1.117 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.798 -2.322 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.555 -2.591 -3.800 1.00 0.00 H new ATOM 121 N ARG A 70 -2.314 -6.793 -4.096 1.00 0.00 N ATOM 122 CA ARG A 70 -1.901 -8.141 -4.446 1.00 0.00 C ATOM 123 C ARG A 70 -0.389 -8.237 -4.602 1.00 0.00 C ATOM 124 O ARG A 70 0.179 -7.711 -5.558 1.00 0.00 O ATOM 125 CB ARG A 70 -2.589 -8.591 -5.737 1.00 0.00 C ATOM 126 CG ARG A 70 -4.106 -8.541 -5.660 1.00 0.00 C ATOM 127 CD ARG A 70 -4.751 -9.126 -6.905 1.00 0.00 C ATOM 128 NE ARG A 70 -4.453 -10.548 -7.061 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.241 -11.407 -7.706 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.368 -10.992 -8.271 1.00 0.00 N ATOM 131 NH2 ARG A 70 -4.897 -12.685 -7.791 1.00 0.00 N ATOM 0 H ARG A 70 -1.945 -6.062 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.200 -8.801 -3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.253 -7.959 -6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.278 -9.609 -5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.444 -9.091 -4.782 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.430 -7.508 -5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.831 -8.986 -6.854 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.401 -8.584 -7.783 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.590 -10.904 -6.651 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.636 -10.010 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.966 -11.656 -8.763 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.030 -13.009 -7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.500 -13.344 -8.285 1.00 0.00 H new ATOM 145 N GLU A 71 0.258 -8.901 -3.652 1.00 0.00 N ATOM 146 CA GLU A 71 1.703 -9.075 -3.701 1.00 0.00 C ATOM 147 C GLU A 71 2.045 -10.457 -4.246 1.00 0.00 C ATOM 148 O GLU A 71 1.870 -11.466 -3.561 1.00 0.00 O ATOM 149 CB GLU A 71 2.320 -8.882 -2.313 1.00 0.00 C ATOM 150 CG GLU A 71 3.840 -8.829 -2.332 1.00 0.00 C ATOM 151 CD GLU A 71 4.436 -8.647 -0.949 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.201 -9.516 -0.084 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.140 -7.639 -0.734 1.00 0.00 O ATOM 0 H GLU A 71 -0.193 -9.326 -2.842 1.00 0.00 H new ATOM 0 HA GLU A 71 2.120 -8.320 -4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.937 -7.959 -1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.000 -9.697 -1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.226 -9.749 -2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.163 -8.009 -2.973 1.00 0.00 H new ATOM 160 N ASP A 72 2.520 -10.491 -5.488 1.00 0.00 N ATOM 161 CA ASP A 72 2.874 -11.744 -6.149 1.00 0.00 C ATOM 162 C ASP A 72 1.635 -12.598 -6.392 1.00 0.00 C ATOM 163 O ASP A 72 1.653 -13.812 -6.191 1.00 0.00 O ATOM 164 CB ASP A 72 3.900 -12.525 -5.326 1.00 0.00 C ATOM 165 CG ASP A 72 5.242 -11.822 -5.263 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.898 -11.701 -6.319 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.637 -11.395 -4.158 1.00 0.00 O ATOM 0 H ASP A 72 2.669 -9.660 -6.060 1.00 0.00 H new ATOM 0 HA ASP A 72 3.320 -11.497 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.519 -12.667 -4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.032 -13.516 -5.759 1.00 0.00 H new ATOM 172 N GLY A 73 0.555 -11.950 -6.823 1.00 0.00 N ATOM 173 CA GLY A 73 -0.683 -12.660 -7.097 1.00 0.00 C ATOM 174 C GLY A 73 -1.475 -12.998 -5.845 1.00 0.00 C ATOM 175 O GLY A 73 -2.601 -13.483 -5.936 1.00 0.00 O ATOM 0 H GLY A 73 0.516 -10.944 -6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.303 -12.053 -7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.454 -13.581 -7.633 1.00 0.00 H new ATOM 179 N GLU A 74 -0.897 -12.739 -4.673 1.00 0.00 N ATOM 180 CA GLU A 74 -1.568 -13.033 -3.413 1.00 0.00 C ATOM 181 C GLU A 74 -2.272 -11.801 -2.870 1.00 0.00 C ATOM 182 O GLU A 74 -1.699 -10.714 -2.849 1.00 0.00 O ATOM 183 CB GLU A 74 -0.565 -13.555 -2.385 1.00 0.00 C ATOM 184 CG GLU A 74 -0.285 -15.039 -2.525 1.00 0.00 C ATOM 185 CD GLU A 74 -1.559 -15.856 -2.575 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.142 -15.977 -3.673 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.980 -16.367 -1.516 1.00 0.00 O ATOM 0 H GLU A 74 0.031 -12.328 -4.572 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.317 -13.802 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.370 -13.004 -2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.945 -13.356 -1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.294 -15.214 -3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.327 -15.373 -1.687 1.00 0.00 H new ATOM 194 N ARG A 75 -3.509 -11.975 -2.408 1.00 0.00 N ATOM 195 CA ARG A 75 -4.273 -10.854 -1.880 1.00 0.00 C ATOM 196 C ARG A 75 -3.905 -10.564 -0.428 1.00 0.00 C ATOM 197 O ARG A 75 -4.788 -10.415 0.408 1.00 0.00 O ATOM 198 CB ARG A 75 -5.768 -11.180 -1.954 1.00 0.00 C ATOM 199 CG ARG A 75 -6.395 -10.919 -3.311 1.00 0.00 C ATOM 200 CD ARG A 75 -6.808 -9.464 -3.449 1.00 0.00 C ATOM 201 NE ARG A 75 -7.670 -9.036 -2.343 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.984 -8.811 -2.438 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.637 -8.995 -3.581 1.00 0.00 N ATOM 204 NH2 ARG A 75 -9.655 -8.405 -1.368 1.00 0.00 N ATOM 0 H ARG A 75 -3.996 -12.871 -2.390 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.040 -9.974 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.913 -12.229 -1.695 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.295 -10.591 -1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.686 -11.176 -4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.265 -11.562 -3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.918 -8.835 -3.481 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.332 -9.323 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.233 -8.900 -1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.135 -9.314 -4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.640 -8.817 -3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.168 -8.267 -0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.658 -8.231 -1.431 1.00 0.00 H new ATOM 218 N CYS A 76 -2.611 -10.355 -0.186 1.00 0.00 N ATOM 219 CA CYS A 76 -2.072 -10.053 1.144 1.00 0.00 C ATOM 220 C CYS A 76 -2.555 -11.006 2.250 1.00 0.00 C ATOM 221 O CYS A 76 -1.753 -11.715 2.858 1.00 0.00 O ATOM 222 CB CYS A 76 -2.407 -8.617 1.526 1.00 0.00 C ATOM 223 SG CYS A 76 -1.090 -7.779 2.436 1.00 0.00 S ATOM 0 H CYS A 76 -1.898 -10.391 -0.915 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.994 -10.193 1.069 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.627 -8.052 0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.313 -8.614 2.132 1.00 0.00 H new ATOM 228 N GLY A 77 -3.852 -10.999 2.530 1.00 0.00 N ATOM 229 CA GLY A 77 -4.390 -11.839 3.581 1.00 0.00 C ATOM 230 C GLY A 77 -4.407 -11.113 4.914 1.00 0.00 C ATOM 231 O GLY A 77 -5.046 -11.557 5.867 1.00 0.00 O ATOM 0 H GLY A 77 -4.542 -10.425 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.402 -12.148 3.320 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.792 -12.746 3.666 1.00 0.00 H new ATOM 235 N ARG A 78 -3.693 -9.987 4.975 1.00 0.00 N ATOM 236 CA ARG A 78 -3.617 -9.181 6.181 1.00 0.00 C ATOM 237 C ARG A 78 -4.805 -8.228 6.258 1.00 0.00 C ATOM 238 O ARG A 78 -5.481 -7.984 5.259 1.00 0.00 O ATOM 239 CB ARG A 78 -2.309 -8.392 6.184 1.00 0.00 C ATOM 240 CG ARG A 78 -1.832 -7.989 7.567 1.00 0.00 C ATOM 241 CD ARG A 78 -0.431 -7.409 7.507 1.00 0.00 C ATOM 242 NE ARG A 78 0.194 -7.346 8.826 1.00 0.00 N ATOM 243 CZ ARG A 78 1.501 -7.495 9.042 1.00 0.00 C ATOM 244 NH1 ARG A 78 2.340 -7.686 8.029 1.00 0.00 N ATOM 245 NH2 ARG A 78 1.974 -7.444 10.279 1.00 0.00 N ATOM 0 H ARG A 78 -3.156 -9.615 4.191 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.645 -9.837 7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.535 -8.991 5.705 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.437 -7.494 5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.516 -7.255 7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.843 -8.856 8.227 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.184 -8.016 6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.471 -6.408 7.077 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.408 -7.177 9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.986 -7.720 7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.338 -7.799 8.208 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.339 -7.291 11.062 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.973 -7.558 10.448 1.00 0.00 H new ATOM 259 N ALA A 79 -5.051 -7.689 7.444 1.00 0.00 N ATOM 260 CA ALA A 79 -6.166 -6.772 7.648 1.00 0.00 C ATOM 261 C ALA A 79 -5.802 -5.347 7.244 1.00 0.00 C ATOM 262 O ALA A 79 -4.636 -4.955 7.292 1.00 0.00 O ATOM 263 CB ALA A 79 -6.612 -6.806 9.101 1.00 0.00 C ATOM 0 H ALA A 79 -4.495 -7.870 8.279 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.987 -7.099 7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.445 -6.117 9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.928 -7.816 9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.783 -6.509 9.743 1.00 0.00 H new ATOM 269 N ALA A 80 -6.812 -4.579 6.839 1.00 0.00 N ATOM 270 CA ALA A 80 -6.605 -3.191 6.447 1.00 0.00 C ATOM 271 C ALA A 80 -6.309 -2.341 7.676 1.00 0.00 C ATOM 272 O ALA A 80 -6.734 -2.677 8.782 1.00 0.00 O ATOM 273 CB ALA A 80 -7.823 -2.659 5.705 1.00 0.00 C ATOM 0 H ALA A 80 -7.779 -4.896 6.775 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.749 -3.139 5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.651 -1.621 5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.994 -3.258 4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.698 -2.717 6.353 1.00 0.00 H new ATOM 279 N GLY A 81 -5.592 -1.240 7.485 1.00 0.00 N ATOM 280 CA GLY A 81 -5.241 -0.394 8.609 1.00 0.00 C ATOM 281 C GLY A 81 -5.863 0.988 8.562 1.00 0.00 C ATOM 282 O GLY A 81 -7.065 1.137 8.337 1.00 0.00 O ATOM 0 H GLY A 81 -5.250 -0.920 6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.548 -0.888 9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.157 -0.291 8.648 1.00 0.00 H new ATOM 286 N ASN A 82 -5.028 2.001 8.775 1.00 0.00 N ATOM 287 CA ASN A 82 -5.479 3.387 8.801 1.00 0.00 C ATOM 288 C ASN A 82 -5.102 4.134 7.522 1.00 0.00 C ATOM 289 O ASN A 82 -5.795 5.067 7.114 1.00 0.00 O ATOM 290 CB ASN A 82 -4.866 4.090 10.015 1.00 0.00 C ATOM 291 CG ASN A 82 -5.591 5.367 10.383 1.00 0.00 C ATOM 292 OD1 ASN A 82 -5.206 6.457 9.965 1.00 0.00 O ATOM 293 ND2 ASN A 82 -6.649 5.236 11.176 1.00 0.00 N ATOM 0 H ASN A 82 -4.027 1.885 8.933 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.567 3.390 8.871 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.880 3.411 10.868 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.821 4.318 9.807 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.177 6.060 11.462 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.933 4.311 11.499 1.00 0.00 H new ATOM 300 N ALA A 83 -4.003 3.726 6.896 1.00 0.00 N ATOM 301 CA ALA A 83 -3.539 4.374 5.672 1.00 0.00 C ATOM 302 C ALA A 83 -4.547 4.228 4.539 1.00 0.00 C ATOM 303 O ALA A 83 -5.543 3.515 4.662 1.00 0.00 O ATOM 304 CB ALA A 83 -2.192 3.807 5.254 1.00 0.00 C ATOM 0 H ALA A 83 -3.418 2.953 7.213 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.430 5.438 5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.858 4.299 4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.463 3.979 6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.288 2.736 5.075 1.00 0.00 H new ATOM 310 N SER A 84 -4.275 4.912 3.433 1.00 0.00 N ATOM 311 CA SER A 84 -5.149 4.868 2.269 1.00 0.00 C ATOM 312 C SER A 84 -4.342 4.973 0.980 1.00 0.00 C ATOM 313 O SER A 84 -3.396 5.755 0.891 1.00 0.00 O ATOM 314 CB SER A 84 -6.166 6.009 2.329 1.00 0.00 C ATOM 315 OG SER A 84 -6.700 6.151 3.633 1.00 0.00 O ATOM 0 H SER A 84 -3.453 5.505 3.319 1.00 0.00 H new ATOM 0 HA SER A 84 -5.674 3.913 2.277 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.689 6.941 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.973 5.818 1.622 1.00 0.00 H new ATOM 0 HG SER A 84 -7.346 6.888 3.644 1.00 0.00 H new ATOM 321 N PHE A 85 -4.717 4.179 -0.014 1.00 0.00 N ATOM 322 CA PHE A 85 -4.041 4.201 -1.305 1.00 0.00 C ATOM 323 C PHE A 85 -4.140 5.595 -1.914 1.00 0.00 C ATOM 324 O PHE A 85 -5.233 6.147 -2.040 1.00 0.00 O ATOM 325 CB PHE A 85 -4.673 3.167 -2.235 1.00 0.00 C ATOM 326 CG PHE A 85 -3.963 2.987 -3.546 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.741 2.334 -3.608 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.534 3.444 -4.722 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.103 2.145 -4.820 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.905 3.251 -5.935 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.689 2.601 -5.985 1.00 0.00 C ATOM 0 H PHE A 85 -5.486 3.511 0.049 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.989 3.953 -1.168 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.706 2.207 -1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.705 3.458 -2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.283 1.969 -2.700 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.483 3.958 -4.689 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.148 1.642 -4.856 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.364 3.609 -6.845 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.196 2.449 -6.934 1.00 0.00 H new ATOM 341 N SER A 86 -3.000 6.165 -2.284 1.00 0.00 N ATOM 342 CA SER A 86 -2.977 7.504 -2.861 1.00 0.00 C ATOM 343 C SER A 86 -2.156 7.546 -4.143 1.00 0.00 C ATOM 344 O SER A 86 -1.762 6.511 -4.679 1.00 0.00 O ATOM 345 CB SER A 86 -2.397 8.497 -1.855 1.00 0.00 C ATOM 346 OG SER A 86 -1.020 8.247 -1.631 1.00 0.00 O ATOM 0 H SER A 86 -2.084 5.725 -2.196 1.00 0.00 H new ATOM 0 HA SER A 86 -4.004 7.778 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.530 9.514 -2.224 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.941 8.426 -0.913 1.00 0.00 H new ATOM 0 HG SER A 86 -0.492 8.658 -2.347 1.00 0.00 H new ATOM 352 N LYS A 87 -1.937 8.758 -4.646 1.00 0.00 N ATOM 353 CA LYS A 87 -1.151 8.962 -5.855 1.00 0.00 C ATOM 354 C LYS A 87 0.347 8.849 -5.560 1.00 0.00 C ATOM 355 O LYS A 87 1.083 8.184 -6.288 1.00 0.00 O ATOM 356 CB LYS A 87 -1.483 10.319 -6.474 1.00 0.00 C ATOM 357 CG LYS A 87 -2.860 10.361 -7.121 1.00 0.00 C ATOM 358 CD LYS A 87 -3.239 11.773 -7.536 1.00 0.00 C ATOM 359 CE LYS A 87 -4.314 11.773 -8.614 1.00 0.00 C ATOM 360 NZ LYS A 87 -5.605 11.220 -8.121 1.00 0.00 N ATOM 0 H LYS A 87 -2.296 9.617 -4.230 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.408 8.181 -6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.428 11.087 -5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.729 10.564 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.873 9.709 -7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.603 9.974 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.596 12.325 -6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.355 12.294 -7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.469 12.792 -8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.971 11.186 -9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.312 11.255 -8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.468 10.234 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.939 11.784 -7.314 1.00 0.00 H new ATOM 374 N ARG A 88 0.793 9.514 -4.494 1.00 0.00 N ATOM 375 CA ARG A 88 2.198 9.473 -4.099 1.00 0.00 C ATOM 376 C ARG A 88 2.664 8.027 -3.968 1.00 0.00 C ATOM 377 O ARG A 88 3.816 7.708 -4.267 1.00 0.00 O ATOM 378 CB ARG A 88 2.397 10.265 -2.785 1.00 0.00 C ATOM 379 CG ARG A 88 3.593 9.823 -1.931 1.00 0.00 C ATOM 380 CD ARG A 88 3.224 9.056 -0.647 1.00 0.00 C ATOM 381 NE ARG A 88 1.795 8.771 -0.481 1.00 0.00 N ATOM 382 CZ ARG A 88 1.228 8.552 0.704 1.00 0.00 C ATOM 383 NH1 ARG A 88 1.974 8.495 1.800 1.00 0.00 N ATOM 384 NH2 ARG A 88 -0.080 8.353 0.789 1.00 0.00 N ATOM 0 H ARG A 88 0.202 10.086 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 88 2.809 9.945 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.516 11.320 -3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.491 10.177 -2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.242 9.193 -2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.171 10.705 -1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.770 8.113 -0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.566 9.632 0.213 1.00 0.00 H new ATOM 0 HE ARG A 88 1.207 8.739 -1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 88 2.984 8.619 1.736 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.537 8.327 2.706 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.654 8.367 -0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.512 8.185 1.697 1.00 0.00 H new ATOM 398 N ILE A 89 1.769 7.156 -3.522 1.00 0.00 N ATOM 399 CA ILE A 89 2.094 5.746 -3.378 1.00 0.00 C ATOM 400 C ILE A 89 2.213 5.100 -4.755 1.00 0.00 C ATOM 401 O ILE A 89 3.153 4.353 -5.023 1.00 0.00 O ATOM 402 CB ILE A 89 1.042 5.015 -2.516 1.00 0.00 C ATOM 403 CG1 ILE A 89 1.107 5.545 -1.082 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.258 3.507 -2.541 1.00 0.00 C ATOM 405 CD1 ILE A 89 0.270 4.760 -0.098 1.00 0.00 C ATOM 0 H ILE A 89 0.816 7.401 -3.255 1.00 0.00 H new ATOM 0 HA ILE A 89 3.052 5.662 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 89 0.053 5.209 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.145 5.536 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.779 6.584 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.502 3.021 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.179 3.145 -3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.249 3.275 -2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.370 5.198 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.776 4.790 -0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.612 3.725 -0.074 1.00 0.00 H new ATOM 417 N GLN A 90 1.255 5.400 -5.629 1.00 0.00 N ATOM 418 CA GLN A 90 1.274 4.881 -6.993 1.00 0.00 C ATOM 419 C GLN A 90 2.593 5.265 -7.643 1.00 0.00 C ATOM 420 O GLN A 90 3.277 4.443 -8.255 1.00 0.00 O ATOM 421 CB GLN A 90 0.109 5.471 -7.787 1.00 0.00 C ATOM 422 CG GLN A 90 -0.102 4.833 -9.152 1.00 0.00 C ATOM 423 CD GLN A 90 0.748 5.473 -10.233 1.00 0.00 C ATOM 424 OE1 GLN A 90 1.851 5.013 -10.527 1.00 0.00 O ATOM 425 NE2 GLN A 90 0.237 6.544 -10.829 1.00 0.00 N ATOM 0 H GLN A 90 0.457 5.999 -5.417 1.00 0.00 H new ATOM 0 HA GLN A 90 1.173 3.796 -6.979 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.805 5.364 -7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.279 6.539 -7.920 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.133 3.770 -9.092 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.154 4.912 -9.427 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.682 6.891 -10.554 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.763 7.019 -11.562 1.00 0.00 H new ATOM 434 N LYS A 91 2.928 6.537 -7.487 1.00 0.00 N ATOM 435 CA LYS A 91 4.162 7.097 -8.000 1.00 0.00 C ATOM 436 C LYS A 91 5.360 6.383 -7.378 1.00 0.00 C ATOM 437 O LYS A 91 6.293 5.976 -8.074 1.00 0.00 O ATOM 438 CB LYS A 91 4.189 8.588 -7.656 1.00 0.00 C ATOM 439 CG LYS A 91 3.407 9.465 -8.623 1.00 0.00 C ATOM 440 CD LYS A 91 4.200 9.788 -9.880 1.00 0.00 C ATOM 441 CE LYS A 91 3.576 10.951 -10.635 1.00 0.00 C ATOM 442 NZ LYS A 91 2.088 10.894 -10.605 1.00 0.00 N ATOM 0 H LYS A 91 2.343 7.213 -6.996 1.00 0.00 H new ATOM 0 HA LYS A 91 4.216 6.965 -9.081 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.787 8.725 -6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.225 8.926 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.481 8.961 -8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.128 10.393 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.228 10.033 -9.613 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.239 8.910 -10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.913 11.891 -10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.920 10.939 -11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.702 11.524 -11.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.774 9.919 -10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.748 11.198 -9.671 1.00 0.00 H new ATOM 456 N SER A 92 5.313 6.227 -6.057 1.00 0.00 N ATOM 457 CA SER A 92 6.379 5.560 -5.319 1.00 0.00 C ATOM 458 C SER A 92 6.645 4.176 -5.900 1.00 0.00 C ATOM 459 O SER A 92 7.794 3.744 -6.002 1.00 0.00 O ATOM 460 CB SER A 92 6.004 5.449 -3.839 1.00 0.00 C ATOM 461 OG SER A 92 7.108 5.024 -3.061 1.00 0.00 O ATOM 0 H SER A 92 4.543 6.556 -5.475 1.00 0.00 H new ATOM 0 HA SER A 92 7.289 6.154 -5.409 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.651 6.415 -3.477 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.181 4.745 -3.722 1.00 0.00 H new ATOM 0 HG SER A 92 6.788 4.674 -2.203 1.00 0.00 H new ATOM 467 N ILE A 93 5.575 3.482 -6.276 1.00 0.00 N ATOM 468 CA ILE A 93 5.693 2.154 -6.862 1.00 0.00 C ATOM 469 C ILE A 93 6.153 2.260 -8.311 1.00 0.00 C ATOM 470 O ILE A 93 6.916 1.427 -8.797 1.00 0.00 O ATOM 471 CB ILE A 93 4.354 1.392 -6.819 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.840 1.290 -5.382 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.513 0.005 -7.426 1.00 0.00 C ATOM 474 CD1 ILE A 93 2.445 0.712 -5.279 1.00 0.00 C ATOM 0 H ILE A 93 4.617 3.819 -6.185 1.00 0.00 H new ATOM 0 HA ILE A 93 6.426 1.603 -6.273 1.00 0.00 H new ATOM 0 HB ILE A 93 3.623 1.947 -7.407 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.525 0.671 -4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.848 2.282 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.559 -0.520 -7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.836 0.097 -8.463 1.00 0.00 H new ATOM 0 HG23 ILE A 93 5.258 -0.556 -6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 93 2.145 0.669 -4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.748 1.343 -5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.436 -0.293 -5.701 1.00 0.00 H new ATOM 486 N SER A 94 5.680 3.299 -8.992 1.00 0.00 N ATOM 487 CA SER A 94 6.031 3.534 -10.388 1.00 0.00 C ATOM 488 C SER A 94 7.543 3.576 -10.577 1.00 0.00 C ATOM 489 O SER A 94 8.076 2.993 -11.521 1.00 0.00 O ATOM 490 CB SER A 94 5.409 4.843 -10.876 1.00 0.00 C ATOM 491 OG SER A 94 5.908 5.199 -12.153 1.00 0.00 O ATOM 0 H SER A 94 5.049 3.996 -8.596 1.00 0.00 H new ATOM 0 HA SER A 94 5.636 2.706 -10.977 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.325 4.739 -10.922 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.624 5.639 -10.163 1.00 0.00 H new ATOM 0 HG SER A 94 5.494 6.038 -12.444 1.00 0.00 H new ATOM 497 N GLN A 95 8.230 4.274 -9.677 1.00 0.00 N ATOM 498 CA GLN A 95 9.683 4.380 -9.750 1.00 0.00 C ATOM 499 C GLN A 95 10.351 3.050 -9.389 1.00 0.00 C ATOM 500 O GLN A 95 11.570 2.910 -9.506 1.00 0.00 O ATOM 501 CB GLN A 95 10.182 5.492 -8.826 1.00 0.00 C ATOM 502 CG GLN A 95 11.547 6.038 -9.216 1.00 0.00 C ATOM 503 CD GLN A 95 11.561 6.629 -10.614 1.00 0.00 C ATOM 504 OE1 GLN A 95 10.543 7.126 -11.101 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.715 6.580 -11.266 1.00 0.00 N ATOM 0 H GLN A 95 7.807 4.772 -8.894 1.00 0.00 H new ATOM 0 HA GLN A 95 9.953 4.627 -10.777 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.459 6.308 -8.829 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.230 5.112 -7.806 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.847 6.802 -8.499 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.285 5.238 -9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.533 6.159 -10.825 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.785 6.963 -12.209 1.00 0.00 H new ATOM 514 N LYS A 96 9.554 2.079 -8.942 1.00 0.00 N ATOM 515 CA LYS A 96 10.072 0.765 -8.583 1.00 0.00 C ATOM 516 C LYS A 96 9.684 -0.267 -9.635 1.00 0.00 C ATOM 517 O LYS A 96 10.541 -0.927 -10.223 1.00 0.00 O ATOM 518 CB LYS A 96 9.526 0.331 -7.220 1.00 0.00 C ATOM 519 CG LYS A 96 9.929 1.250 -6.080 1.00 0.00 C ATOM 520 CD LYS A 96 11.328 0.936 -5.574 1.00 0.00 C ATOM 521 CE LYS A 96 11.331 -0.257 -4.630 1.00 0.00 C ATOM 522 NZ LYS A 96 10.501 -0.008 -3.418 1.00 0.00 N ATOM 0 H LYS A 96 8.546 2.181 -8.821 1.00 0.00 H new ATOM 0 HA LYS A 96 11.159 0.831 -8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.438 0.286 -7.272 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.876 -0.678 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.887 2.286 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.215 1.151 -5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.984 0.732 -6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.733 1.808 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.954 -1.135 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.355 -0.480 -4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.113 0.022 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.005 0.901 -3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.804 -0.772 -3.312 1.00 0.00 H new ATOM 536 N LYS A 97 8.380 -0.386 -9.877 1.00 0.00 N ATOM 537 CA LYS A 97 7.855 -1.347 -10.839 1.00 0.00 C ATOM 538 C LYS A 97 7.905 -2.747 -10.241 1.00 0.00 C ATOM 539 O LYS A 97 8.725 -3.578 -10.633 1.00 0.00 O ATOM 540 CB LYS A 97 8.644 -1.290 -12.153 1.00 0.00 C ATOM 541 CG LYS A 97 7.770 -1.127 -13.388 1.00 0.00 C ATOM 542 CD LYS A 97 7.017 0.195 -13.374 1.00 0.00 C ATOM 543 CE LYS A 97 7.239 0.979 -14.660 1.00 0.00 C ATOM 544 NZ LYS A 97 8.498 1.774 -14.618 1.00 0.00 N ATOM 0 H LYS A 97 7.665 0.176 -9.415 1.00 0.00 H new ATOM 0 HA LYS A 97 6.819 -1.093 -11.063 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.349 -0.460 -12.107 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.231 -2.203 -12.253 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.390 -1.183 -14.283 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.058 -1.951 -13.441 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.952 0.006 -13.241 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.344 0.792 -12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.273 0.290 -15.504 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.394 1.647 -14.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.497 2.466 -15.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.563 2.274 -13.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.314 1.138 -14.722 1.00 0.00 H new ATOM 558 N VAL A 98 7.029 -2.990 -9.270 1.00 0.00 N ATOM 559 CA VAL A 98 6.968 -4.276 -8.588 1.00 0.00 C ATOM 560 C VAL A 98 5.615 -4.952 -8.788 1.00 0.00 C ATOM 561 O VAL A 98 4.696 -4.365 -9.362 1.00 0.00 O ATOM 562 CB VAL A 98 7.231 -4.109 -7.080 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.675 -3.701 -6.832 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.273 -3.087 -6.485 1.00 0.00 C ATOM 0 H VAL A 98 6.348 -2.307 -8.937 1.00 0.00 H new ATOM 0 HA VAL A 98 7.743 -4.906 -9.025 1.00 0.00 H new ATOM 0 HB VAL A 98 7.059 -5.067 -6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.842 -3.588 -5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.342 -4.468 -7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.877 -2.754 -7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.471 -2.980 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.414 -2.125 -6.979 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.246 -3.423 -6.631 1.00 0.00 H new ATOM 574 N LYS A 99 5.496 -6.186 -8.304 1.00 0.00 N ATOM 575 CA LYS A 99 4.254 -6.942 -8.439 1.00 0.00 C ATOM 576 C LYS A 99 3.214 -6.477 -7.426 1.00 0.00 C ATOM 577 O LYS A 99 2.769 -7.250 -6.576 1.00 0.00 O ATOM 578 CB LYS A 99 4.515 -8.441 -8.274 1.00 0.00 C ATOM 579 CG LYS A 99 5.740 -8.932 -9.028 1.00 0.00 C ATOM 580 CD LYS A 99 5.508 -10.298 -9.656 1.00 0.00 C ATOM 581 CE LYS A 99 4.614 -10.207 -10.883 1.00 0.00 C ATOM 582 NZ LYS A 99 5.002 -9.079 -11.774 1.00 0.00 N ATOM 0 H LYS A 99 6.242 -6.682 -7.816 1.00 0.00 H new ATOM 0 HA LYS A 99 3.862 -6.761 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.637 -8.666 -7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.641 -8.994 -8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.000 -8.214 -9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.589 -8.985 -8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.465 -10.738 -9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.053 -10.964 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.666 -11.143 -11.439 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.578 -10.080 -10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.634 -9.250 -12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.605 -8.192 -11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.039 -9.006 -11.810 1.00 0.00 H new ATOM 596 N ILE A 100 2.836 -5.208 -7.520 1.00 0.00 N ATOM 597 CA ILE A 100 1.839 -4.636 -6.627 1.00 0.00 C ATOM 598 C ILE A 100 0.896 -3.726 -7.404 1.00 0.00 C ATOM 599 O ILE A 100 1.273 -2.629 -7.816 1.00 0.00 O ATOM 600 CB ILE A 100 2.491 -3.839 -5.476 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.380 -4.756 -4.635 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.427 -3.183 -4.604 1.00 0.00 C ATOM 603 CD1 ILE A 100 4.148 -4.029 -3.554 1.00 0.00 C ATOM 0 H ILE A 100 3.207 -4.554 -8.209 1.00 0.00 H new ATOM 0 HA ILE A 100 1.278 -5.464 -6.193 1.00 0.00 H new ATOM 0 HB ILE A 100 3.110 -3.053 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.761 -5.526 -4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.086 -5.265 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.908 -2.627 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.830 -2.501 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.781 -3.951 -4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.757 -4.742 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.794 -3.278 -4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.448 -3.542 -2.875 1.00 0.00 H new ATOM 615 N GLU A 101 -0.328 -4.195 -7.612 1.00 0.00 N ATOM 616 CA GLU A 101 -1.324 -3.425 -8.342 1.00 0.00 C ATOM 617 C GLU A 101 -2.649 -3.417 -7.595 1.00 0.00 C ATOM 618 O GLU A 101 -3.027 -4.407 -6.969 1.00 0.00 O ATOM 619 CB GLU A 101 -1.516 -4.002 -9.744 1.00 0.00 C ATOM 620 CG GLU A 101 -1.937 -5.461 -9.749 1.00 0.00 C ATOM 621 CD GLU A 101 -2.136 -6.004 -11.150 1.00 0.00 C ATOM 622 OE1 GLU A 101 -1.133 -6.396 -11.783 1.00 0.00 O ATOM 623 OE2 GLU A 101 -3.295 -6.039 -11.614 1.00 0.00 O ATOM 0 H GLU A 101 -0.654 -5.105 -7.285 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.968 -2.398 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.268 -3.414 -10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.584 -3.899 -10.301 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.181 -6.056 -9.237 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.864 -5.570 -9.186 1.00 0.00 H new ATOM 630 N LEU A 102 -3.352 -2.297 -7.667 1.00 0.00 N ATOM 631 CA LEU A 102 -4.629 -2.160 -6.989 1.00 0.00 C ATOM 632 C LEU A 102 -5.698 -3.045 -7.616 1.00 0.00 C ATOM 633 O LEU A 102 -5.846 -3.096 -8.836 1.00 0.00 O ATOM 634 CB LEU A 102 -5.103 -0.709 -7.014 1.00 0.00 C ATOM 635 CG LEU A 102 -6.494 -0.498 -6.421 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.410 -0.016 -4.986 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.303 0.459 -7.265 1.00 0.00 C ATOM 0 H LEU A 102 -3.059 -1.471 -8.188 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.476 -2.477 -5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.389 -0.095 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.102 -0.355 -8.045 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.004 -1.461 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.416 0.125 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.884 -0.757 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.870 0.930 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.289 0.592 -6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.794 1.422 -7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.410 0.055 -8.272 1.00 0.00 H new ATOM 649 N ASP A 103 -6.445 -3.737 -6.764 1.00 0.00 N ATOM 650 CA ASP A 103 -7.531 -4.586 -7.220 1.00 0.00 C ATOM 651 C ASP A 103 -8.689 -3.697 -7.648 1.00 0.00 C ATOM 652 O ASP A 103 -9.038 -2.750 -6.944 1.00 0.00 O ATOM 653 CB ASP A 103 -7.978 -5.528 -6.103 1.00 0.00 C ATOM 654 CG ASP A 103 -8.999 -6.549 -6.573 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.018 -6.857 -7.783 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.779 -7.041 -5.730 1.00 0.00 O ATOM 0 H ASP A 103 -6.316 -3.725 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.195 -5.194 -8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.108 -6.048 -5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.404 -4.943 -5.288 1.00 0.00 H new ATOM 661 N LYS A 104 -9.279 -3.987 -8.797 1.00 0.00 N ATOM 662 CA LYS A 104 -10.379 -3.177 -9.300 1.00 0.00 C ATOM 663 C LYS A 104 -11.721 -3.639 -8.740 1.00 0.00 C ATOM 664 O LYS A 104 -12.640 -2.838 -8.572 1.00 0.00 O ATOM 665 CB LYS A 104 -10.397 -3.206 -10.827 1.00 0.00 C ATOM 666 CG LYS A 104 -9.081 -2.760 -11.448 1.00 0.00 C ATOM 667 CD LYS A 104 -9.281 -2.225 -12.856 1.00 0.00 C ATOM 668 CE LYS A 104 -9.662 -3.330 -13.828 1.00 0.00 C ATOM 669 NZ LYS A 104 -8.467 -4.058 -14.339 1.00 0.00 N ATOM 0 H LYS A 104 -9.018 -4.771 -9.395 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.221 -2.152 -8.965 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.626 -4.217 -11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.199 -2.562 -11.187 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.627 -1.989 -10.826 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.386 -3.600 -11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.060 -1.462 -12.848 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.365 -1.742 -13.195 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.331 -4.034 -13.333 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.212 -2.902 -14.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.770 -4.803 -14.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.840 -3.392 -14.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.956 -4.488 -13.542 1.00 0.00 H new ATOM 683 N SER A 105 -11.828 -4.928 -8.447 1.00 0.00 N ATOM 684 CA SER A 105 -13.061 -5.484 -7.901 1.00 0.00 C ATOM 685 C SER A 105 -13.292 -5.034 -6.456 1.00 0.00 C ATOM 686 O SER A 105 -14.348 -5.300 -5.880 1.00 0.00 O ATOM 687 CB SER A 105 -13.024 -7.012 -7.973 1.00 0.00 C ATOM 688 OG SER A 105 -11.804 -7.518 -7.457 1.00 0.00 O ATOM 0 H SER A 105 -11.079 -5.608 -8.577 1.00 0.00 H new ATOM 0 HA SER A 105 -13.889 -5.111 -8.503 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.860 -7.426 -7.410 1.00 0.00 H new ATOM 0 HB3 SER A 105 -13.146 -7.333 -9.007 1.00 0.00 H new ATOM 0 HG SER A 105 -11.526 -6.979 -6.687 1.00 0.00 H new ATOM 694 N ALA A 106 -12.308 -4.346 -5.872 1.00 0.00 N ATOM 695 CA ALA A 106 -12.417 -3.877 -4.496 1.00 0.00 C ATOM 696 C ALA A 106 -13.517 -2.833 -4.338 1.00 0.00 C ATOM 697 O ALA A 106 -14.151 -2.424 -5.310 1.00 0.00 O ATOM 698 CB ALA A 106 -11.088 -3.308 -4.023 1.00 0.00 C ATOM 0 H ALA A 106 -11.431 -4.104 -6.332 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.682 -4.736 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.186 -2.962 -2.994 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.322 -4.082 -4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.802 -2.472 -4.661 1.00 0.00 H new ATOM 704 N ARG A 107 -13.730 -2.409 -3.096 1.00 0.00 N ATOM 705 CA ARG A 107 -14.748 -1.411 -2.784 1.00 0.00 C ATOM 706 C ARG A 107 -14.163 -0.257 -1.981 1.00 0.00 C ATOM 707 O ARG A 107 -14.500 0.905 -2.205 1.00 0.00 O ATOM 708 CB ARG A 107 -15.888 -2.044 -1.985 1.00 0.00 C ATOM 709 CG ARG A 107 -16.819 -2.899 -2.822 1.00 0.00 C ATOM 710 CD ARG A 107 -16.671 -4.375 -2.496 1.00 0.00 C ATOM 711 NE ARG A 107 -17.343 -5.209 -3.485 1.00 0.00 N ATOM 712 CZ ARG A 107 -18.664 -5.271 -3.620 1.00 0.00 C ATOM 713 NH1 ARG A 107 -19.451 -4.582 -2.804 1.00 0.00 N ATOM 714 NH2 ARG A 107 -19.199 -6.026 -4.569 1.00 0.00 N ATOM 0 H ARG A 107 -13.208 -2.743 -2.286 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.129 -1.026 -3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.465 -2.656 -1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.467 -1.254 -1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.850 -2.590 -2.650 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.610 -2.737 -3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.613 -4.636 -2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -17.086 -4.574 -1.508 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.768 -5.776 -4.108 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.043 -4.003 -2.070 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -20.464 -4.632 -2.910 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -18.597 -6.560 -5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -20.213 -6.073 -4.672 1.00 0.00 H new ATOM 728 N HIS A 108 -13.284 -0.587 -1.047 1.00 0.00 N ATOM 729 CA HIS A 108 -12.678 0.412 -0.184 1.00 0.00 C ATOM 730 C HIS A 108 -11.222 0.689 -0.557 1.00 0.00 C ATOM 731 O HIS A 108 -10.581 -0.105 -1.246 1.00 0.00 O ATOM 732 CB HIS A 108 -12.774 -0.066 1.263 1.00 0.00 C ATOM 733 CG HIS A 108 -11.972 -1.305 1.542 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.606 -1.363 1.401 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.354 -2.536 1.957 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.177 -2.571 1.718 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.218 -3.303 2.059 1.00 0.00 N ATOM 0 H HIS A 108 -12.975 -1.542 -0.868 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.219 1.350 -0.309 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.435 0.732 1.924 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -13.819 -0.258 1.505 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.364 -2.856 2.169 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.149 -2.902 1.701 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.186 -4.280 2.351 1.00 0.00 H new ATOM 746 N LEU A 109 -10.713 1.830 -0.094 1.00 0.00 N ATOM 747 CA LEU A 109 -9.330 2.226 -0.353 1.00 0.00 C ATOM 748 C LEU A 109 -8.561 2.356 0.961 1.00 0.00 C ATOM 749 O LEU A 109 -8.204 3.455 1.383 1.00 0.00 O ATOM 750 CB LEU A 109 -9.283 3.549 -1.122 1.00 0.00 C ATOM 751 CG LEU A 109 -9.851 3.500 -2.541 1.00 0.00 C ATOM 752 CD1 LEU A 109 -10.055 4.907 -3.081 1.00 0.00 C ATOM 753 CD2 LEU A 109 -8.930 2.707 -3.458 1.00 0.00 C ATOM 0 H LEU A 109 -11.241 2.499 0.465 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.861 1.454 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.832 4.300 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.247 3.883 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.818 2.999 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.460 4.854 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.752 5.446 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.100 5.432 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.350 2.683 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.949 3.181 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.831 1.689 -3.082 1.00 0.00 H new ATOM 765 N TYR A 110 -8.307 1.217 1.591 1.00 0.00 N ATOM 766 CA TYR A 110 -7.590 1.163 2.858 1.00 0.00 C ATOM 767 C TYR A 110 -6.641 -0.020 2.849 1.00 0.00 C ATOM 768 O TYR A 110 -7.067 -1.172 2.942 1.00 0.00 O ATOM 769 CB TYR A 110 -8.551 1.024 4.045 1.00 0.00 C ATOM 770 CG TYR A 110 -9.569 2.133 4.163 1.00 0.00 C ATOM 771 CD1 TYR A 110 -9.291 3.296 4.870 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.813 2.007 3.574 1.00 0.00 C ATOM 773 CE1 TYR A 110 -10.231 4.304 4.981 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.761 3.007 3.678 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.465 4.154 4.383 1.00 0.00 C ATOM 776 OH TYR A 110 -12.406 5.154 4.491 1.00 0.00 O ATOM 0 H TYR A 110 -8.592 0.304 1.238 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.038 2.096 2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.077 0.073 3.960 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.968 0.985 4.965 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -8.326 3.415 5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.049 1.109 3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -10.000 5.203 5.533 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.727 2.891 3.210 1.00 0.00 H new ATOM 0 HH TYR A 110 -13.220 4.891 4.012 1.00 0.00 H new ATOM 786 N ILE A 111 -5.359 0.265 2.721 1.00 0.00 N ATOM 787 CA ILE A 111 -4.353 -0.780 2.698 1.00 0.00 C ATOM 788 C ILE A 111 -3.976 -1.199 4.111 1.00 0.00 C ATOM 789 O ILE A 111 -4.499 -0.666 5.090 1.00 0.00 O ATOM 790 CB ILE A 111 -3.089 -0.319 1.953 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.479 0.902 2.645 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.417 -0.002 0.501 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.245 1.435 1.954 1.00 0.00 C ATOM 0 H ILE A 111 -4.989 1.211 2.631 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.783 -1.632 2.171 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.358 -1.127 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.228 1.693 2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.225 0.638 3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.513 0.323 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.811 -0.894 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.162 0.792 0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.867 2.300 2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.479 0.660 1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.497 1.731 0.936 1.00 0.00 H new ATOM 805 N CYS A 112 -3.073 -2.163 4.208 1.00 0.00 N ATOM 806 CA CYS A 112 -2.617 -2.646 5.502 1.00 0.00 C ATOM 807 C CYS A 112 -1.373 -1.885 5.940 1.00 0.00 C ATOM 808 O CYS A 112 -0.836 -1.071 5.188 1.00 0.00 O ATOM 809 CB CYS A 112 -2.326 -4.146 5.436 1.00 0.00 C ATOM 810 SG CYS A 112 -1.271 -4.631 4.051 1.00 0.00 S ATOM 0 H CYS A 112 -2.642 -2.625 3.407 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.406 -2.477 6.235 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.850 -4.455 6.367 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.270 -4.686 5.366 1.00 0.00 H new ATOM 815 N ASP A 113 -0.922 -2.145 7.160 1.00 0.00 N ATOM 816 CA ASP A 113 0.264 -1.482 7.686 1.00 0.00 C ATOM 817 C ASP A 113 1.512 -1.969 6.959 1.00 0.00 C ATOM 818 O ASP A 113 2.469 -1.219 6.766 1.00 0.00 O ATOM 819 CB ASP A 113 0.397 -1.747 9.187 1.00 0.00 C ATOM 820 CG ASP A 113 -0.909 -1.539 9.929 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.652 -0.600 9.573 1.00 0.00 O ATOM 822 OD2 ASP A 113 -1.191 -2.318 10.864 1.00 0.00 O ATOM 0 H ASP A 113 -1.357 -2.808 7.802 1.00 0.00 H new ATOM 0 HA ASP A 113 0.160 -0.409 7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.742 -2.769 9.344 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.158 -1.087 9.604 1.00 0.00 H new ATOM 827 N TYR A 114 1.481 -3.233 6.550 1.00 0.00 N ATOM 828 CA TYR A 114 2.600 -3.849 5.847 1.00 0.00 C ATOM 829 C TYR A 114 2.993 -3.053 4.606 1.00 0.00 C ATOM 830 O TYR A 114 4.107 -2.537 4.516 1.00 0.00 O ATOM 831 CB TYR A 114 2.227 -5.280 5.451 1.00 0.00 C ATOM 832 CG TYR A 114 3.275 -5.986 4.619 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.394 -6.552 5.213 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.136 -6.093 3.241 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.348 -7.207 4.458 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.087 -6.745 2.477 1.00 0.00 C ATOM 837 CZ TYR A 114 5.190 -7.300 3.091 1.00 0.00 C ATOM 838 OH TYR A 114 6.136 -7.953 2.335 1.00 0.00 O ATOM 0 H TYR A 114 0.686 -3.855 6.695 1.00 0.00 H new ATOM 0 HA TYR A 114 3.458 -3.860 6.519 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.046 -5.860 6.356 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.291 -5.259 4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.521 -6.479 6.283 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.272 -5.660 2.759 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.213 -7.644 4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.966 -6.819 1.406 1.00 0.00 H new ATOM 0 HH TYR A 114 5.890 -7.902 1.388 1.00 0.00 H new ATOM 848 N HIS A 115 2.070 -2.943 3.656 1.00 0.00 N ATOM 849 CA HIS A 115 2.336 -2.218 2.418 1.00 0.00 C ATOM 850 C HIS A 115 2.569 -0.733 2.680 1.00 0.00 C ATOM 851 O HIS A 115 3.376 -0.097 2.002 1.00 0.00 O ATOM 852 CB HIS A 115 1.186 -2.409 1.427 1.00 0.00 C ATOM 853 CG HIS A 115 1.187 -3.755 0.768 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.101 -4.592 0.843 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.159 -4.356 0.037 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.430 -5.676 0.161 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.668 -5.578 -0.346 1.00 0.00 N ATOM 0 H HIS A 115 1.135 -3.345 3.719 1.00 0.00 H new ATOM 0 HA HIS A 115 3.248 -2.628 1.983 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.239 -2.269 1.949 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.245 -1.637 0.660 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.132 -3.950 -0.198 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.216 -6.531 0.029 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.152 -6.278 -0.909 1.00 0.00 H new ATOM 865 N LYS A 116 1.864 -0.181 3.662 1.00 0.00 N ATOM 866 CA LYS A 116 2.018 1.231 3.994 1.00 0.00 C ATOM 867 C LYS A 116 3.468 1.538 4.346 1.00 0.00 C ATOM 868 O LYS A 116 4.078 2.438 3.777 1.00 0.00 O ATOM 869 CB LYS A 116 1.116 1.619 5.168 1.00 0.00 C ATOM 870 CG LYS A 116 1.024 3.123 5.383 1.00 0.00 C ATOM 871 CD LYS A 116 0.715 3.470 6.832 1.00 0.00 C ATOM 872 CE LYS A 116 1.931 3.282 7.725 1.00 0.00 C ATOM 873 NZ LYS A 116 3.102 4.067 7.244 1.00 0.00 N ATOM 0 H LYS A 116 1.187 -0.683 4.237 1.00 0.00 H new ATOM 0 HA LYS A 116 1.726 1.813 3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.116 1.221 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.493 1.151 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 116 1.964 3.590 5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.249 3.536 4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.374 4.503 6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.101 2.843 7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.684 3.585 8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.194 2.225 7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.704 4.322 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.650 3.495 6.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.770 4.933 6.773 1.00 0.00 H new ATOM 887 N ASN A 117 4.013 0.769 5.283 1.00 0.00 N ATOM 888 CA ASN A 117 5.389 0.954 5.731 1.00 0.00 C ATOM 889 C ASN A 117 6.385 0.574 4.636 1.00 0.00 C ATOM 890 O ASN A 117 7.433 1.203 4.490 1.00 0.00 O ATOM 891 CB ASN A 117 5.639 0.108 6.984 1.00 0.00 C ATOM 892 CG ASN A 117 7.037 0.281 7.553 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.637 -0.675 8.046 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.558 1.502 7.507 1.00 0.00 N ATOM 0 H ASN A 117 3.520 0.008 5.749 1.00 0.00 H new ATOM 0 HA ASN A 117 5.535 2.009 5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.908 0.375 7.747 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.479 -0.943 6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.488 1.674 7.889 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.028 2.267 7.090 1.00 0.00 H new ATOM 901 N LEU A 118 6.045 -0.452 3.869 1.00 0.00 N ATOM 902 CA LEU A 118 6.909 -0.935 2.796 1.00 0.00 C ATOM 903 C LEU A 118 7.057 0.101 1.679 1.00 0.00 C ATOM 904 O LEU A 118 8.151 0.310 1.156 1.00 0.00 O ATOM 905 CB LEU A 118 6.334 -2.237 2.226 1.00 0.00 C ATOM 906 CG LEU A 118 7.353 -3.195 1.601 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.730 -4.568 1.396 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.870 -2.645 0.280 1.00 0.00 C ATOM 0 H LEU A 118 5.172 -0.970 3.969 1.00 0.00 H new ATOM 0 HA LEU A 118 7.900 -1.115 3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.811 -2.762 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.590 -1.984 1.471 1.00 0.00 H new ATOM 0 HG LEU A 118 8.197 -3.292 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.465 -5.238 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.408 -4.969 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.870 -4.482 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.592 -3.341 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.037 -2.517 -0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.351 -1.682 0.450 1.00 0.00 H new ATOM 920 N ILE A 119 5.957 0.760 1.335 1.00 0.00 N ATOM 921 CA ILE A 119 5.955 1.743 0.254 1.00 0.00 C ATOM 922 C ILE A 119 6.378 3.143 0.707 1.00 0.00 C ATOM 923 O ILE A 119 7.110 3.832 -0.002 1.00 0.00 O ATOM 924 CB ILE A 119 4.560 1.824 -0.398 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.143 0.442 -0.898 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.552 2.834 -1.535 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.714 0.378 -1.394 1.00 0.00 C ATOM 0 H ILE A 119 5.052 0.632 1.789 1.00 0.00 H new ATOM 0 HA ILE A 119 6.694 1.396 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 119 3.842 2.160 0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.812 0.140 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.271 -0.280 -0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.558 2.874 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.816 3.818 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.276 2.535 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.491 -0.634 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.036 0.648 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.585 1.074 -2.223 1.00 0.00 H new ATOM 939 N GLN A 120 5.919 3.561 1.879 1.00 0.00 N ATOM 940 CA GLN A 120 6.237 4.895 2.394 1.00 0.00 C ATOM 941 C GLN A 120 7.729 5.106 2.627 1.00 0.00 C ATOM 942 O GLN A 120 8.257 6.186 2.362 1.00 0.00 O ATOM 943 CB GLN A 120 5.505 5.152 3.713 1.00 0.00 C ATOM 944 CG GLN A 120 4.251 5.984 3.567 1.00 0.00 C ATOM 945 CD GLN A 120 3.944 6.780 4.819 1.00 0.00 C ATOM 946 OE1 GLN A 120 4.226 6.341 5.935 1.00 0.00 O ATOM 947 NE2 GLN A 120 3.377 7.966 4.640 1.00 0.00 N ATOM 0 H GLN A 120 5.327 3.001 2.493 1.00 0.00 H new ATOM 0 HA GLN A 120 5.909 5.595 1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.243 4.195 4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.184 5.654 4.402 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.365 6.665 2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.409 5.331 3.338 1.00 0.00 H new ATOM 0 HE21 GLN A 120 3.160 8.291 3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.158 8.553 5.445 1.00 0.00 H new ATOM 956 N SER A 121 8.411 4.070 3.097 1.00 0.00 N ATOM 957 CA SER A 121 9.820 4.167 3.441 1.00 0.00 C ATOM 958 C SER A 121 10.782 4.232 2.246 1.00 0.00 C ATOM 959 O SER A 121 11.981 4.011 2.417 1.00 0.00 O ATOM 960 CB SER A 121 10.175 2.996 4.342 1.00 0.00 C ATOM 961 OG SER A 121 9.447 3.054 5.557 1.00 0.00 O ATOM 0 H SER A 121 8.006 3.146 3.249 1.00 0.00 H new ATOM 0 HA SER A 121 9.951 5.123 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.960 2.059 3.829 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.244 3.006 4.553 1.00 0.00 H new ATOM 0 HG SER A 121 8.619 2.537 5.467 1.00 0.00 H new ATOM 967 N VAL A 122 10.287 4.536 1.050 1.00 0.00 N ATOM 968 CA VAL A 122 11.161 4.639 -0.114 1.00 0.00 C ATOM 969 C VAL A 122 11.494 6.104 -0.408 1.00 0.00 C ATOM 970 O VAL A 122 12.499 6.407 -1.049 1.00 0.00 O ATOM 971 CB VAL A 122 10.538 3.975 -1.357 1.00 0.00 C ATOM 972 CG1 VAL A 122 11.432 4.160 -2.574 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.292 2.497 -1.092 1.00 0.00 C ATOM 0 H VAL A 122 9.300 4.713 0.862 1.00 0.00 H new ATOM 0 HA VAL A 122 12.082 4.105 0.122 1.00 0.00 H new ATOM 0 HB VAL A 122 9.583 4.457 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 122 10.972 3.683 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 122 11.561 5.224 -2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 122 12.404 3.706 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 122 9.852 2.037 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.238 2.007 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.610 2.387 -0.249 1.00 0.00 H new ATOM 983 N ARG A 123 10.627 7.006 0.051 1.00 0.00 N ATOM 984 CA ARG A 123 10.837 8.440 -0.121 1.00 0.00 C ATOM 985 C ARG A 123 10.870 9.161 1.233 1.00 0.00 C ATOM 986 O ARG A 123 11.110 10.367 1.293 1.00 0.00 O ATOM 987 CB ARG A 123 9.733 9.035 -0.994 1.00 0.00 C ATOM 988 CG ARG A 123 9.455 8.226 -2.247 1.00 0.00 C ATOM 989 CD ARG A 123 8.484 8.949 -3.172 1.00 0.00 C ATOM 990 NE ARG A 123 9.086 9.319 -4.452 1.00 0.00 N ATOM 991 CZ ARG A 123 8.439 10.003 -5.395 1.00 0.00 C ATOM 992 NH1 ARG A 123 7.188 10.394 -5.191 1.00 0.00 N ATOM 993 NH2 ARG A 123 9.041 10.298 -6.539 1.00 0.00 N ATOM 0 H ARG A 123 9.769 6.765 0.547 1.00 0.00 H new ATOM 0 HA ARG A 123 11.801 8.581 -0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 123 8.817 9.110 -0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.012 10.049 -1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 123 10.390 8.037 -2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 123 9.043 7.255 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.620 8.310 -3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.118 9.847 -2.675 1.00 0.00 H new ATOM 0 HE ARG A 123 10.050 9.039 -4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 123 6.721 10.171 -4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 123 6.693 10.918 -5.913 1.00 0.00 H new ATOM 0 HH21 ARG A 123 10.003 10.001 -6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 123 8.542 10.822 -7.258 1.00 0.00 H new ATOM 1007 N ASN A 124 10.626 8.421 2.318 1.00 0.00 N ATOM 1008 CA ASN A 124 10.630 8.994 3.661 1.00 0.00 C ATOM 1009 C ASN A 124 11.219 8.005 4.663 1.00 0.00 C ATOM 1010 O ASN A 124 10.728 6.889 4.797 1.00 0.00 O ATOM 1011 CB ASN A 124 9.205 9.362 4.085 1.00 0.00 C ATOM 1012 CG ASN A 124 9.049 10.839 4.386 1.00 0.00 C ATOM 1013 OD1 ASN A 124 8.532 11.600 3.569 1.00 0.00 O ATOM 1014 ND2 ASN A 124 9.500 11.252 5.564 1.00 0.00 N ATOM 0 H ASN A 124 10.423 7.422 2.289 1.00 0.00 H new ATOM 0 HA ASN A 124 11.245 9.894 3.646 1.00 0.00 H new ATOM 0 HB2 ASN A 124 8.510 9.081 3.293 1.00 0.00 H new ATOM 0 HB3 ASN A 124 8.932 8.784 4.968 1.00 0.00 H new ATOM 0 HD21 ASN A 124 9.425 12.236 5.822 1.00 0.00 H new ATOM 0 HD22 ASN A 124 9.922 10.586 6.211 1.00 0.00 H new ATOM 1021 N ARG A 125 12.266 8.412 5.372 1.00 0.00 N ATOM 1022 CA ARG A 125 12.895 7.530 6.348 1.00 0.00 C ATOM 1023 C ARG A 125 13.291 8.273 7.617 1.00 0.00 C ATOM 1024 O ARG A 125 13.879 9.353 7.566 1.00 0.00 O ATOM 1025 CB ARG A 125 14.119 6.841 5.742 1.00 0.00 C ATOM 1026 CG ARG A 125 13.768 5.670 4.840 1.00 0.00 C ATOM 1027 CD ARG A 125 14.997 4.851 4.476 1.00 0.00 C ATOM 1028 NE ARG A 125 15.698 4.347 5.660 1.00 0.00 N ATOM 1029 CZ ARG A 125 16.851 4.835 6.129 1.00 0.00 C ATOM 1030 NH1 ARG A 125 17.433 5.889 5.568 1.00 0.00 N ATOM 1031 NH2 ARG A 125 17.419 4.267 7.184 1.00 0.00 N ATOM 0 H ARG A 125 12.693 9.335 5.291 1.00 0.00 H new ATOM 0 HA ARG A 125 12.157 6.776 6.621 1.00 0.00 H new ATOM 0 HB2 ARG A 125 14.692 7.571 5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 125 14.764 6.489 6.547 1.00 0.00 H new ATOM 0 HG2 ARG A 125 13.040 5.031 5.340 1.00 0.00 H new ATOM 0 HG3 ARG A 125 13.295 6.040 3.930 1.00 0.00 H new ATOM 0 HD2 ARG A 125 14.699 4.012 3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 125 15.678 5.464 3.886 1.00 0.00 H new ATOM 0 HE ARG A 125 15.275 3.567 6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.000 6.342 4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 125 18.313 6.245 5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 125 16.976 3.464 7.631 1.00 0.00 H new ATOM 0 HH22 ARG A 125 18.299 4.633 7.548 1.00 0.00 H new ATOM 1045 N ARG A 126 12.959 7.676 8.756 1.00 0.00 N ATOM 1046 CA ARG A 126 13.279 8.251 10.054 1.00 0.00 C ATOM 1047 C ARG A 126 13.618 7.143 11.044 1.00 0.00 C ATOM 1048 O ARG A 126 14.788 6.904 11.345 1.00 0.00 O ATOM 1049 CB ARG A 126 12.104 9.085 10.574 1.00 0.00 C ATOM 1050 CG ARG A 126 12.479 10.519 10.911 1.00 0.00 C ATOM 1051 CD ARG A 126 11.285 11.452 10.779 1.00 0.00 C ATOM 1052 NE ARG A 126 10.877 12.013 12.063 1.00 0.00 N ATOM 1053 CZ ARG A 126 9.791 12.761 12.228 1.00 0.00 C ATOM 1054 NH1 ARG A 126 9.008 13.032 11.191 1.00 0.00 N ATOM 1055 NH2 ARG A 126 9.486 13.240 13.425 1.00 0.00 N ATOM 0 H ARG A 126 12.464 6.786 8.804 1.00 0.00 H new ATOM 0 HA ARG A 126 14.144 8.905 9.944 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.313 9.092 9.824 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.695 8.606 11.464 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.868 10.565 11.928 1.00 0.00 H new ATOM 0 HG3 ARG A 126 13.278 10.853 10.249 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.534 12.262 10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 126 10.448 10.908 10.340 1.00 0.00 H new ATOM 0 HE ARG A 126 11.458 11.820 12.879 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.240 12.666 10.268 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.174 13.606 11.318 1.00 0.00 H new ATOM 0 HH21 ARG A 126 10.086 13.035 14.224 1.00 0.00 H new ATOM 0 HH22 ARG A 126 8.652 13.814 13.547 1.00 0.00 H new ATOM 1069 N LYS A 127 12.590 6.456 11.533 1.00 0.00 N ATOM 1070 CA LYS A 127 12.787 5.368 12.481 1.00 0.00 C ATOM 1071 C LYS A 127 12.802 4.021 11.769 1.00 0.00 C ATOM 1072 O LYS A 127 11.871 3.682 11.037 1.00 0.00 O ATOM 1073 CB LYS A 127 11.686 5.370 13.544 1.00 0.00 C ATOM 1074 CG LYS A 127 11.958 4.410 14.693 1.00 0.00 C ATOM 1075 CD LYS A 127 12.218 5.159 15.990 1.00 0.00 C ATOM 1076 CE LYS A 127 10.981 5.200 16.876 1.00 0.00 C ATOM 1077 NZ LYS A 127 9.725 5.312 16.086 1.00 0.00 N ATOM 0 H LYS A 127 11.616 6.634 11.289 1.00 0.00 H new ATOM 0 HA LYS A 127 13.751 5.523 12.965 1.00 0.00 H new ATOM 0 HB2 LYS A 127 11.576 6.379 13.941 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.738 5.106 13.076 1.00 0.00 H new ATOM 0 HG2 LYS A 127 11.106 3.742 14.821 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.819 3.786 14.452 1.00 0.00 H new ATOM 0 HD2 LYS A 127 13.035 4.680 16.529 1.00 0.00 H new ATOM 0 HD3 LYS A 127 12.538 6.176 15.765 1.00 0.00 H new ATOM 0 HE2 LYS A 127 10.944 4.298 17.487 1.00 0.00 H new ATOM 0 HE3 LYS A 127 11.054 6.046 17.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.955 5.639 16.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.861 5.993 15.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.480 4.382 15.689 1.00 0.00 H new ATOM 1091 N ARG A 128 13.869 3.262 11.983 1.00 0.00 N ATOM 1092 CA ARG A 128 14.002 1.941 11.385 1.00 0.00 C ATOM 1093 C ARG A 128 14.251 0.903 12.473 1.00 0.00 C ATOM 1094 O ARG A 128 13.320 0.267 12.964 1.00 0.00 O ATOM 1095 CB ARG A 128 15.124 1.892 10.329 1.00 0.00 C ATOM 1096 CG ARG A 128 16.158 3.025 10.399 1.00 0.00 C ATOM 1097 CD ARG A 128 17.529 2.550 10.884 1.00 0.00 C ATOM 1098 NE ARG A 128 17.866 1.208 10.407 1.00 0.00 N ATOM 1099 CZ ARG A 128 18.774 0.425 10.984 1.00 0.00 C ATOM 1100 NH1 ARG A 128 19.452 0.854 12.040 1.00 0.00 N ATOM 1101 NH2 ARG A 128 19.009 -0.787 10.500 1.00 0.00 N ATOM 0 H ARG A 128 14.657 3.540 12.568 1.00 0.00 H new ATOM 0 HA ARG A 128 13.068 1.714 10.872 1.00 0.00 H new ATOM 0 HB2 ARG A 128 15.648 0.941 10.427 1.00 0.00 H new ATOM 0 HB3 ARG A 128 14.667 1.904 9.340 1.00 0.00 H new ATOM 0 HG2 ARG A 128 16.263 3.476 9.412 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.791 3.804 11.068 1.00 0.00 H new ATOM 0 HD2 ARG A 128 18.292 3.252 10.547 1.00 0.00 H new ATOM 0 HD3 ARG A 128 17.547 2.558 11.974 1.00 0.00 H new ATOM 0 HE ARG A 128 17.377 0.853 9.585 1.00 0.00 H new ATOM 0 HH11 ARG A 128 19.278 1.787 12.413 1.00 0.00 H new ATOM 0 HH12 ARG A 128 20.147 0.251 12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 128 18.494 -1.119 9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 128 19.705 -1.387 10.943 1.00 0.00 H new ATOM 1115 N LYS A 129 15.512 0.742 12.848 1.00 0.00 N ATOM 1116 CA LYS A 129 15.893 -0.197 13.892 1.00 0.00 C ATOM 1117 C LYS A 129 16.676 0.527 14.986 1.00 0.00 C ATOM 1118 O LYS A 129 16.486 0.270 16.175 1.00 0.00 O ATOM 1119 CB LYS A 129 16.733 -1.338 13.311 1.00 0.00 C ATOM 1120 CG LYS A 129 15.981 -2.209 12.316 1.00 0.00 C ATOM 1121 CD LYS A 129 16.521 -3.631 12.309 1.00 0.00 C ATOM 1122 CE LYS A 129 17.166 -3.987 10.977 1.00 0.00 C ATOM 1123 NZ LYS A 129 16.195 -4.614 10.038 1.00 0.00 N ATOM 0 H LYS A 129 16.294 1.255 12.440 1.00 0.00 H new ATOM 0 HA LYS A 129 14.987 -0.621 14.324 1.00 0.00 H new ATOM 0 HB2 LYS A 129 17.611 -0.917 12.821 1.00 0.00 H new ATOM 0 HB3 LYS A 129 17.093 -1.964 14.128 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.921 -2.221 12.569 1.00 0.00 H new ATOM 0 HG3 LYS A 129 16.066 -1.780 11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 129 17.253 -3.745 13.109 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.710 -4.328 12.517 1.00 0.00 H new ATOM 0 HE2 LYS A 129 17.581 -3.087 10.523 1.00 0.00 H new ATOM 0 HE3 LYS A 129 17.998 -4.670 11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.674 -4.841 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.818 -5.487 10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.414 -3.953 9.854 1.00 0.00 H new ATOM 1137 N GLY A 130 17.555 1.433 14.568 1.00 0.00 N ATOM 1138 CA GLY A 130 18.354 2.198 15.507 1.00 0.00 C ATOM 1139 C GLY A 130 19.180 3.265 14.813 1.00 0.00 C ATOM 1140 O GLY A 130 20.034 2.955 13.984 1.00 0.00 O ATOM 0 H GLY A 130 17.728 1.652 13.587 1.00 0.00 H new ATOM 0 HA2 GLY A 130 17.700 2.667 16.242 1.00 0.00 H new ATOM 0 HA3 GLY A 130 19.016 1.525 16.053 1.00 0.00 H new ATOM 1144 N SER A 131 18.924 4.528 15.148 1.00 0.00 N ATOM 1145 CA SER A 131 19.651 5.642 14.545 1.00 0.00 C ATOM 1146 C SER A 131 19.680 5.518 13.025 1.00 0.00 C ATOM 1147 O SER A 131 20.657 4.947 12.497 1.00 0.00 O ATOM 1148 CB SER A 131 21.080 5.705 15.089 1.00 0.00 C ATOM 1149 OG SER A 131 21.099 6.177 16.425 1.00 0.00 O ATOM 1150 OXT SER A 131 18.726 5.995 12.375 1.00 0.00 O ATOM 0 H SER A 131 18.220 4.805 15.832 1.00 0.00 H new ATOM 0 HA SER A 131 19.129 6.563 14.807 1.00 0.00 H new ATOM 0 HB2 SER A 131 21.533 4.715 15.044 1.00 0.00 H new ATOM 0 HB3 SER A 131 21.683 6.360 14.460 1.00 0.00 H new ATOM 0 HG SER A 131 22.024 6.206 16.749 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.220 -5.551 1.945 1.00 0.00 ZN