USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 68 CYS SG : rot 24:sc= -1.69 USER MOD Set 1.2: A 108 HIS : no HE2:sc= -1.49 K(o=-3.2,f=-4.8!) USER MOD Set 2.1: A 90 GLN : amide:sc= -0.29 K(o=0.83,f=-4.2!) USER MOD Set 2.2: A 94 SER OG : rot 122:sc= 1.12 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) 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 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 152:sc= -0.216 (180deg=-1.05) USER MOD Single : A 91 LYS NZ :NH3+ 150:sc= -0.114 (180deg=-0.848) USER MOD Single : A 92 SER OG : rot 170:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.481 K(o=-0.48,f=-0.99) USER MOD Single : A 96 LYS NZ :NH3+ -111:sc= -0.277 (180deg=-1.17) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -163:sc= -0.13 (180deg=-0.448) USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= -0.229 (180deg=-0.744) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ -166:sc= -1.33 (180deg=-2.29!) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 120 GLN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.45) USER MOD Single : A 127 LYS NZ :NH3+ 150:sc= -0.251 (180deg=-1.98) 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 -20.417 -2.159 11.561 1.00 0.00 N ATOM 2 CA SER A 61 -20.495 -2.314 10.089 1.00 0.00 C ATOM 3 C SER A 61 -19.115 -2.545 9.468 1.00 0.00 C ATOM 4 O SER A 61 -18.942 -3.475 8.685 1.00 0.00 O ATOM 5 CB SER A 61 -21.155 -1.089 9.456 1.00 0.00 C ATOM 6 OG SER A 61 -21.774 -1.431 8.228 1.00 0.00 O ATOM 0 HA SER A 61 -21.104 -3.195 9.887 1.00 0.00 H new ATOM 0 HB2 SER A 61 -21.896 -0.675 10.140 1.00 0.00 H new ATOM 0 HB3 SER A 61 -20.408 -0.313 9.289 1.00 0.00 H new ATOM 0 HG SER A 61 -22.192 -0.634 7.839 1.00 0.00 H new ATOM 14 N ASN A 62 -18.131 -1.709 9.812 1.00 0.00 N ATOM 15 CA ASN A 62 -16.786 -1.868 9.252 1.00 0.00 C ATOM 16 C ASN A 62 -15.739 -2.146 10.327 1.00 0.00 C ATOM 17 O ASN A 62 -15.287 -1.235 11.020 1.00 0.00 O ATOM 18 CB ASN A 62 -16.362 -0.626 8.463 1.00 0.00 C ATOM 19 CG ASN A 62 -17.479 -0.054 7.618 1.00 0.00 C ATOM 20 OD1 ASN A 62 -17.714 -0.495 6.493 1.00 0.00 O ATOM 21 ND2 ASN A 62 -18.166 0.946 8.155 1.00 0.00 N ATOM 0 H ASN A 62 -18.236 -0.930 10.462 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.839 -2.729 8.585 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.012 0.137 9.158 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.520 -0.881 7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.925 1.382 7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.935 1.278 9.091 1.00 0.00 H new ATOM 28 N ALA A 63 -15.377 -3.414 10.469 1.00 0.00 N ATOM 29 CA ALA A 63 -14.349 -3.817 11.426 1.00 0.00 C ATOM 30 C ALA A 63 -13.660 -5.123 11.008 1.00 0.00 C ATOM 31 O ALA A 63 -12.870 -5.682 11.767 1.00 0.00 O ATOM 32 CB ALA A 63 -14.947 -3.958 12.818 1.00 0.00 C ATOM 0 H ALA A 63 -15.779 -4.184 9.934 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.590 -3.035 11.441 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.169 -4.259 13.520 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -15.369 -3.003 13.131 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.732 -4.714 12.802 1.00 0.00 H new ATOM 38 N GLY A 64 -13.941 -5.593 9.790 1.00 0.00 N ATOM 39 CA GLY A 64 -13.346 -6.823 9.310 1.00 0.00 C ATOM 40 C GLY A 64 -12.976 -6.720 7.847 1.00 0.00 C ATOM 41 O GLY A 64 -13.468 -7.480 7.013 1.00 0.00 O ATOM 0 H GLY A 64 -14.572 -5.139 9.130 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.457 -7.053 9.897 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.044 -7.648 9.454 1.00 0.00 H new ATOM 45 N GLN A 65 -12.108 -5.764 7.542 1.00 0.00 N ATOM 46 CA GLN A 65 -11.668 -5.528 6.176 1.00 0.00 C ATOM 47 C GLN A 65 -10.343 -6.223 5.898 1.00 0.00 C ATOM 48 O GLN A 65 -9.685 -6.723 6.809 1.00 0.00 O ATOM 49 CB GLN A 65 -11.504 -4.028 5.934 1.00 0.00 C ATOM 50 CG GLN A 65 -12.606 -3.176 6.541 1.00 0.00 C ATOM 51 CD GLN A 65 -12.102 -1.813 6.967 1.00 0.00 C ATOM 52 OE1 GLN A 65 -11.988 -0.899 6.151 1.00 0.00 O ATOM 53 NE2 GLN A 65 -11.802 -1.666 8.253 1.00 0.00 N ATOM 0 H GLN A 65 -11.693 -5.136 8.230 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.425 -5.934 5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.546 -3.708 6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.469 -3.846 4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.411 -3.054 5.816 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.029 -3.691 7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.912 -2.451 8.895 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.462 -0.768 8.598 1.00 0.00 H new ATOM 62 N LEU A 66 -9.954 -6.235 4.629 1.00 0.00 N ATOM 63 CA LEU A 66 -8.702 -6.851 4.215 1.00 0.00 C ATOM 64 C LEU A 66 -8.011 -5.992 3.161 1.00 0.00 C ATOM 65 O LEU A 66 -8.667 -5.306 2.378 1.00 0.00 O ATOM 66 CB LEU A 66 -8.954 -8.256 3.664 1.00 0.00 C ATOM 67 CG LEU A 66 -9.593 -9.235 4.650 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.968 -10.529 3.946 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.651 -9.514 5.812 1.00 0.00 C ATOM 0 H LEU A 66 -10.491 -5.823 3.866 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.052 -6.928 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.597 -8.176 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.005 -8.672 3.326 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.502 -8.781 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.421 -11.215 4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.679 -10.316 3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.073 -10.986 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.123 -10.212 6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.725 -9.947 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.429 -8.582 6.333 1.00 0.00 H new ATOM 81 N CYS A 67 -6.683 -6.032 3.152 1.00 0.00 N ATOM 82 CA CYS A 67 -5.896 -5.262 2.195 1.00 0.00 C ATOM 83 C CYS A 67 -6.410 -5.477 0.770 1.00 0.00 C ATOM 84 O CYS A 67 -6.948 -6.537 0.452 1.00 0.00 O ATOM 85 CB CYS A 67 -4.424 -5.664 2.298 1.00 0.00 C ATOM 86 SG CYS A 67 -3.316 -4.723 1.227 1.00 0.00 S ATOM 0 H CYS A 67 -6.127 -6.591 3.799 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.995 -4.203 2.432 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.099 -5.544 3.331 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.331 -6.723 2.055 1.00 0.00 H new ATOM 91 N CYS A 68 -6.237 -4.468 -0.085 1.00 0.00 N ATOM 92 CA CYS A 68 -6.708 -4.548 -1.468 1.00 0.00 C ATOM 93 C CYS A 68 -5.559 -4.471 -2.472 1.00 0.00 C ATOM 94 O CYS A 68 -5.744 -4.027 -3.604 1.00 0.00 O ATOM 95 CB CYS A 68 -7.714 -3.429 -1.740 1.00 0.00 C ATOM 96 SG CYS A 68 -9.212 -3.534 -0.732 1.00 0.00 S ATOM 0 H CYS A 68 -5.776 -3.590 0.154 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.190 -5.517 -1.596 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.232 -2.468 -1.559 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.994 -3.452 -2.793 1.00 0.00 H new ATOM 0 HG CYS A 68 -8.957 -4.199 0.356 1.00 0.00 H new ATOM 102 N LEU A 69 -4.374 -4.898 -2.053 1.00 0.00 N ATOM 103 CA LEU A 69 -3.212 -4.898 -2.933 1.00 0.00 C ATOM 104 C LEU A 69 -2.766 -6.326 -3.209 1.00 0.00 C ATOM 105 O LEU A 69 -3.150 -7.254 -2.497 1.00 0.00 O ATOM 106 CB LEU A 69 -2.062 -4.102 -2.316 1.00 0.00 C ATOM 107 CG LEU A 69 -2.379 -2.637 -2.025 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.150 -1.924 -1.484 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.891 -1.944 -3.279 1.00 0.00 C ATOM 0 H LEU A 69 -4.193 -5.248 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.494 -4.423 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.762 -4.586 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.206 -4.147 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.161 -2.597 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.394 -0.881 -1.282 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.826 -2.406 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.347 -1.973 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.112 -0.901 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.131 -1.994 -4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.798 -2.441 -3.625 1.00 0.00 H new ATOM 121 N ARG A 70 -1.954 -6.500 -4.244 1.00 0.00 N ATOM 122 CA ARG A 70 -1.472 -7.823 -4.606 1.00 0.00 C ATOM 123 C ARG A 70 0.050 -7.865 -4.659 1.00 0.00 C ATOM 124 O ARG A 70 0.676 -7.092 -5.382 1.00 0.00 O ATOM 125 CB ARG A 70 -2.042 -8.243 -5.962 1.00 0.00 C ATOM 126 CG ARG A 70 -3.549 -8.083 -6.067 1.00 0.00 C ATOM 127 CD ARG A 70 -4.081 -8.670 -7.363 1.00 0.00 C ATOM 128 NE ARG A 70 -3.834 -10.107 -7.451 1.00 0.00 N ATOM 129 CZ ARG A 70 -4.491 -10.918 -8.273 1.00 0.00 C ATOM 130 NH1 ARG A 70 -5.425 -10.434 -9.080 1.00 0.00 N ATOM 131 NH2 ARG A 70 -4.212 -12.214 -8.290 1.00 0.00 N ATOM 0 H ARG A 70 -1.618 -5.746 -4.843 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.809 -8.518 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.567 -7.651 -6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.782 -9.285 -6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.028 -8.574 -5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.809 -7.026 -6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.152 -8.481 -7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.611 -8.168 -8.209 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.117 -10.510 -6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.640 -9.437 -9.071 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.928 -11.059 -9.710 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.493 -12.589 -7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.717 -12.836 -8.921 1.00 0.00 H new ATOM 145 N GLU A 71 0.641 -8.765 -3.882 1.00 0.00 N ATOM 146 CA GLU A 71 2.089 -8.919 -3.869 1.00 0.00 C ATOM 147 C GLU A 71 2.478 -10.172 -4.643 1.00 0.00 C ATOM 148 O GLU A 71 2.508 -11.271 -4.090 1.00 0.00 O ATOM 149 CB GLU A 71 2.619 -8.995 -2.436 1.00 0.00 C ATOM 150 CG GLU A 71 4.134 -8.890 -2.349 1.00 0.00 C ATOM 151 CD GLU A 71 4.666 -9.212 -0.967 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.699 -10.408 -0.610 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.051 -8.269 -0.243 1.00 0.00 O ATOM 0 H GLU A 71 0.142 -9.396 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 71 2.536 -8.047 -4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.172 -8.194 -1.848 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.300 -9.936 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.583 -9.569 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.440 -7.881 -2.625 1.00 0.00 H new ATOM 160 N ASP A 72 2.757 -9.993 -5.931 1.00 0.00 N ATOM 161 CA ASP A 72 3.122 -11.100 -6.808 1.00 0.00 C ATOM 162 C ASP A 72 1.942 -12.047 -7.003 1.00 0.00 C ATOM 163 O ASP A 72 2.096 -13.268 -6.967 1.00 0.00 O ATOM 164 CB ASP A 72 4.330 -11.864 -6.260 1.00 0.00 C ATOM 165 CG ASP A 72 5.643 -11.211 -6.646 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.908 -11.083 -7.860 1.00 0.00 O ATOM 167 OD2 ASP A 72 6.404 -10.824 -5.735 1.00 0.00 O ATOM 0 H ASP A 72 2.737 -9.084 -6.393 1.00 0.00 H new ATOM 0 HA ASP A 72 3.395 -10.680 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.260 -11.921 -5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.311 -12.887 -6.635 1.00 0.00 H new ATOM 172 N GLY A 73 0.762 -11.470 -7.213 1.00 0.00 N ATOM 173 CA GLY A 73 -0.431 -12.268 -7.426 1.00 0.00 C ATOM 174 C GLY A 73 -1.170 -12.589 -6.140 1.00 0.00 C ATOM 175 O GLY A 73 -2.354 -12.929 -6.170 1.00 0.00 O ATOM 0 H GLY A 73 0.612 -10.462 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.102 -11.735 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.155 -13.199 -7.921 1.00 0.00 H new ATOM 179 N GLU A 74 -0.480 -12.481 -5.009 1.00 0.00 N ATOM 180 CA GLU A 74 -1.090 -12.777 -3.715 1.00 0.00 C ATOM 181 C GLU A 74 -1.857 -11.576 -3.175 1.00 0.00 C ATOM 182 O GLU A 74 -1.323 -10.471 -3.101 1.00 0.00 O ATOM 183 CB GLU A 74 -0.024 -13.214 -2.710 1.00 0.00 C ATOM 184 CG GLU A 74 -0.154 -14.667 -2.291 1.00 0.00 C ATOM 185 CD GLU A 74 -1.579 -15.038 -1.932 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.319 -14.153 -1.452 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.960 -16.208 -2.141 1.00 0.00 O ATOM 0 H GLU A 74 0.497 -12.192 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.798 -13.593 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.963 -13.055 -3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.087 -12.581 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.193 -15.309 -3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.494 -14.855 -1.435 1.00 0.00 H new ATOM 194 N ARG A 75 -3.109 -11.805 -2.778 1.00 0.00 N ATOM 195 CA ARG A 75 -3.951 -10.733 -2.259 1.00 0.00 C ATOM 196 C ARG A 75 -3.662 -10.460 -0.783 1.00 0.00 C ATOM 197 O ARG A 75 -4.556 -10.534 0.058 1.00 0.00 O ATOM 198 CB ARG A 75 -5.426 -11.104 -2.446 1.00 0.00 C ATOM 199 CG ARG A 75 -6.277 -9.979 -3.014 1.00 0.00 C ATOM 200 CD ARG A 75 -6.470 -8.859 -2.005 1.00 0.00 C ATOM 201 NE ARG A 75 -7.206 -9.306 -0.824 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.533 -9.246 -0.701 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.285 -8.786 -1.693 1.00 0.00 N ATOM 204 NH2 ARG A 75 -9.110 -9.658 0.420 1.00 0.00 N ATOM 0 H ARG A 75 -3.559 -12.720 -2.807 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.727 -9.823 -2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.492 -11.967 -3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.839 -11.409 -1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.804 -9.582 -3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.249 -10.372 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.497 -8.473 -1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.006 -8.035 -2.476 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.671 -9.688 -0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.849 -8.474 -2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.299 -8.745 -1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.539 -10.019 1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.124 -9.614 0.518 1.00 0.00 H new ATOM 218 N CYS A 76 -2.414 -10.099 -0.500 1.00 0.00 N ATOM 219 CA CYS A 76 -1.958 -9.777 0.854 1.00 0.00 C ATOM 220 C CYS A 76 -2.542 -10.712 1.930 1.00 0.00 C ATOM 221 O CYS A 76 -1.895 -11.685 2.324 1.00 0.00 O ATOM 222 CB CYS A 76 -2.273 -8.310 1.165 1.00 0.00 C ATOM 223 SG CYS A 76 -1.410 -7.651 2.607 1.00 0.00 S ATOM 0 H CYS A 76 -1.683 -10.020 -1.207 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.880 -9.934 0.882 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.018 -7.704 0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.347 -8.207 1.321 1.00 0.00 H new ATOM 228 N GLY A 77 -3.750 -10.419 2.412 1.00 0.00 N ATOM 229 CA GLY A 77 -4.358 -11.247 3.440 1.00 0.00 C ATOM 230 C GLY A 77 -4.435 -10.535 4.777 1.00 0.00 C ATOM 231 O GLY A 77 -5.270 -10.867 5.621 1.00 0.00 O ATOM 0 H GLY A 77 -4.315 -9.626 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.361 -11.536 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.782 -12.166 3.552 1.00 0.00 H new ATOM 235 N ARG A 78 -3.558 -9.554 4.971 1.00 0.00 N ATOM 236 CA ARG A 78 -3.528 -8.785 6.210 1.00 0.00 C ATOM 237 C ARG A 78 -4.670 -7.773 6.234 1.00 0.00 C ATOM 238 O ARG A 78 -5.060 -7.241 5.194 1.00 0.00 O ATOM 239 CB ARG A 78 -2.187 -8.064 6.351 1.00 0.00 C ATOM 240 CG ARG A 78 -1.896 -7.581 7.763 1.00 0.00 C ATOM 241 CD ARG A 78 -0.688 -6.660 7.795 1.00 0.00 C ATOM 242 NE ARG A 78 -0.105 -6.565 9.131 1.00 0.00 N ATOM 243 CZ ARG A 78 0.796 -7.422 9.606 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.195 -8.452 8.871 1.00 0.00 N ATOM 245 NH2 ARG A 78 1.293 -7.254 10.824 1.00 0.00 N ATOM 0 H ARG A 78 -2.858 -9.273 4.284 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.650 -9.471 7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.389 -8.736 6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.171 -7.210 5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.766 -7.056 8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.720 -8.438 8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.065 -7.026 7.097 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.981 -5.666 7.456 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.405 -5.799 9.734 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.811 -8.591 7.936 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.886 -9.105 9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.985 -6.468 11.397 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.983 -7.911 11.188 1.00 0.00 H new ATOM 259 N ALA A 79 -5.202 -7.510 7.421 1.00 0.00 N ATOM 260 CA ALA A 79 -6.306 -6.568 7.574 1.00 0.00 C ATOM 261 C ALA A 79 -5.904 -5.157 7.156 1.00 0.00 C ATOM 262 O ALA A 79 -4.720 -4.817 7.140 1.00 0.00 O ATOM 263 CB ALA A 79 -6.801 -6.567 9.011 1.00 0.00 C ATOM 0 H ALA A 79 -4.887 -7.936 8.293 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.112 -6.893 6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.625 -5.860 9.112 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.146 -7.566 9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.988 -6.274 9.676 1.00 0.00 H new ATOM 269 N ALA A 80 -6.898 -4.343 6.812 1.00 0.00 N ATOM 270 CA ALA A 80 -6.654 -2.962 6.410 1.00 0.00 C ATOM 271 C ALA A 80 -6.307 -2.115 7.630 1.00 0.00 C ATOM 272 O ALA A 80 -6.742 -2.413 8.742 1.00 0.00 O ATOM 273 CB ALA A 80 -7.867 -2.394 5.691 1.00 0.00 C ATOM 0 H ALA A 80 -7.881 -4.617 6.804 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.810 -2.942 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.667 -1.363 5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.075 -2.990 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.730 -2.421 6.356 1.00 0.00 H new ATOM 279 N GLY A 81 -5.530 -1.057 7.420 1.00 0.00 N ATOM 280 CA GLY A 81 -5.129 -0.209 8.529 1.00 0.00 C ATOM 281 C GLY A 81 -5.773 1.165 8.516 1.00 0.00 C ATOM 282 O GLY A 81 -6.973 1.301 8.280 1.00 0.00 O ATOM 0 H GLY A 81 -5.173 -0.772 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.380 -0.708 9.465 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.045 -0.092 8.511 1.00 0.00 H new ATOM 286 N ASN A 82 -4.958 2.187 8.773 1.00 0.00 N ATOM 287 CA ASN A 82 -5.432 3.569 8.822 1.00 0.00 C ATOM 288 C ASN A 82 -5.044 4.362 7.575 1.00 0.00 C ATOM 289 O ASN A 82 -5.519 5.481 7.377 1.00 0.00 O ATOM 290 CB ASN A 82 -4.861 4.264 10.060 1.00 0.00 C ATOM 291 CG ASN A 82 -5.686 4.010 11.306 1.00 0.00 C ATOM 292 OD1 ASN A 82 -6.410 4.891 11.771 1.00 0.00 O ATOM 293 ND2 ASN A 82 -5.587 2.803 11.849 1.00 0.00 N ATOM 0 H ASN A 82 -3.959 2.082 8.952 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.521 3.537 8.869 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -3.841 3.918 10.228 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.808 5.337 9.877 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.124 2.575 12.686 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.974 2.104 11.430 1.00 0.00 H new ATOM 300 N ALA A 83 -4.181 3.795 6.740 1.00 0.00 N ATOM 301 CA ALA A 83 -3.742 4.480 5.529 1.00 0.00 C ATOM 302 C ALA A 83 -4.734 4.295 4.388 1.00 0.00 C ATOM 303 O ALA A 83 -5.667 3.496 4.480 1.00 0.00 O ATOM 304 CB ALA A 83 -2.364 3.983 5.116 1.00 0.00 C ATOM 0 H ALA A 83 -3.774 2.870 6.877 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.688 5.546 5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.046 4.501 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.651 4.181 5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.406 2.911 4.924 1.00 0.00 H new ATOM 310 N SER A 84 -4.525 5.044 3.310 1.00 0.00 N ATOM 311 CA SER A 84 -5.390 4.964 2.142 1.00 0.00 C ATOM 312 C SER A 84 -4.568 5.019 0.862 1.00 0.00 C ATOM 313 O SER A 84 -3.599 5.773 0.768 1.00 0.00 O ATOM 314 CB SER A 84 -6.405 6.110 2.143 1.00 0.00 C ATOM 315 OG SER A 84 -5.863 7.269 1.533 1.00 0.00 O ATOM 0 H SER A 84 -3.761 5.715 3.223 1.00 0.00 H new ATOM 0 HA SER A 84 -5.923 4.014 2.185 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.306 5.803 1.612 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.700 6.338 3.167 1.00 0.00 H new ATOM 0 HG SER A 84 -6.530 7.987 1.544 1.00 0.00 H new ATOM 321 N PHE A 85 -4.953 4.214 -0.119 1.00 0.00 N ATOM 322 CA PHE A 85 -4.258 4.192 -1.396 1.00 0.00 C ATOM 323 C PHE A 85 -4.394 5.545 -2.080 1.00 0.00 C ATOM 324 O PHE A 85 -5.503 6.044 -2.273 1.00 0.00 O ATOM 325 CB PHE A 85 -4.826 3.088 -2.284 1.00 0.00 C ATOM 326 CG PHE A 85 -4.137 2.950 -3.612 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.917 2.302 -3.713 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.726 3.449 -4.762 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.298 2.152 -4.939 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.110 3.306 -5.989 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.896 2.655 -6.078 1.00 0.00 C ATOM 0 H PHE A 85 -5.741 3.570 -0.054 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.201 3.989 -1.224 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.759 2.139 -1.752 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.885 3.283 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.445 1.910 -2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.678 3.956 -4.698 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.348 1.642 -5.007 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.577 3.703 -6.878 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.414 2.539 -7.038 1.00 0.00 H new ATOM 341 N SER A 86 -3.264 6.140 -2.438 1.00 0.00 N ATOM 342 CA SER A 86 -3.267 7.446 -3.079 1.00 0.00 C ATOM 343 C SER A 86 -2.419 7.443 -4.349 1.00 0.00 C ATOM 344 O SER A 86 -2.061 6.386 -4.869 1.00 0.00 O ATOM 345 CB SER A 86 -2.749 8.499 -2.097 1.00 0.00 C ATOM 346 OG SER A 86 -1.403 8.240 -1.738 1.00 0.00 O ATOM 0 H SER A 86 -2.337 5.740 -2.296 1.00 0.00 H new ATOM 0 HA SER A 86 -4.291 7.688 -3.365 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.825 9.489 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.373 8.506 -1.203 1.00 0.00 H new ATOM 0 HG SER A 86 -1.094 8.927 -1.111 1.00 0.00 H new ATOM 352 N LYS A 87 -2.145 8.634 -4.864 1.00 0.00 N ATOM 353 CA LYS A 87 -1.340 8.797 -6.069 1.00 0.00 C ATOM 354 C LYS A 87 0.148 8.655 -5.745 1.00 0.00 C ATOM 355 O LYS A 87 0.910 8.052 -6.499 1.00 0.00 O ATOM 356 CB LYS A 87 -1.614 10.161 -6.713 1.00 0.00 C ATOM 357 CG LYS A 87 -3.017 10.705 -6.454 1.00 0.00 C ATOM 358 CD LYS A 87 -3.765 10.972 -7.743 1.00 0.00 C ATOM 359 CE LYS A 87 -4.928 11.919 -7.514 1.00 0.00 C ATOM 360 NZ LYS A 87 -4.472 13.221 -6.952 1.00 0.00 N ATOM 0 H LYS A 87 -2.473 9.512 -4.461 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.617 8.014 -6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.884 10.879 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.461 10.079 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.577 9.991 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.948 11.627 -5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.085 11.398 -8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.133 10.032 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.449 12.091 -8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.644 11.459 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.133 13.972 -7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.442 13.160 -5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.522 13.441 -7.313 1.00 0.00 H new ATOM 374 N ARG A 88 0.546 9.240 -4.620 1.00 0.00 N ATOM 375 CA ARG A 88 1.929 9.189 -4.156 1.00 0.00 C ATOM 376 C ARG A 88 2.405 7.746 -4.060 1.00 0.00 C ATOM 377 O ARG A 88 3.520 7.421 -4.468 1.00 0.00 O ATOM 378 CB ARG A 88 2.021 9.884 -2.790 1.00 0.00 C ATOM 379 CG ARG A 88 3.300 9.601 -2.010 1.00 0.00 C ATOM 380 CD ARG A 88 3.018 8.909 -0.679 1.00 0.00 C ATOM 381 NE ARG A 88 1.777 9.371 -0.054 1.00 0.00 N ATOM 382 CZ ARG A 88 1.608 10.587 0.458 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.601 11.465 0.434 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.442 10.925 0.994 1.00 0.00 N ATOM 0 H ARG A 88 -0.079 9.762 -4.005 1.00 0.00 H new ATOM 0 HA ARG A 88 2.574 9.705 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.935 10.960 -2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.168 9.577 -2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.960 8.975 -2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.828 10.537 -1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.961 7.832 -0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.851 9.086 0.002 1.00 0.00 H new ATOM 0 HE ARG A 88 0.993 8.720 -0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.498 11.209 0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.468 12.397 0.828 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.325 10.252 1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.312 11.857 1.387 1.00 0.00 H new ATOM 398 N ILE A 89 1.554 6.885 -3.517 1.00 0.00 N ATOM 399 CA ILE A 89 1.889 5.478 -3.382 1.00 0.00 C ATOM 400 C ILE A 89 2.020 4.836 -4.760 1.00 0.00 C ATOM 401 O ILE A 89 2.898 4.006 -4.984 1.00 0.00 O ATOM 402 CB ILE A 89 0.838 4.727 -2.541 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.777 5.323 -1.133 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.159 3.240 -2.480 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.130 4.565 -0.189 1.00 0.00 C ATOM 0 H ILE A 89 0.631 7.137 -3.165 1.00 0.00 H new ATOM 0 HA ILE A 89 2.844 5.408 -2.862 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.137 4.841 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.783 5.347 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.435 6.356 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.405 2.729 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.163 2.827 -3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.140 3.098 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.122 5.047 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.146 4.563 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.223 3.538 -0.091 1.00 0.00 H new ATOM 417 N GLN A 90 1.145 5.230 -5.682 1.00 0.00 N ATOM 418 CA GLN A 90 1.191 4.707 -7.043 1.00 0.00 C ATOM 419 C GLN A 90 2.508 5.103 -7.688 1.00 0.00 C ATOM 420 O GLN A 90 3.242 4.271 -8.220 1.00 0.00 O ATOM 421 CB GLN A 90 0.027 5.258 -7.869 1.00 0.00 C ATOM 422 CG GLN A 90 -0.068 4.649 -9.261 1.00 0.00 C ATOM 423 CD GLN A 90 0.712 5.434 -10.301 1.00 0.00 C ATOM 424 OE1 GLN A 90 1.932 5.313 -10.401 1.00 0.00 O ATOM 425 NE2 GLN A 90 0.004 6.228 -11.096 1.00 0.00 N ATOM 0 H GLN A 90 0.400 5.906 -5.512 1.00 0.00 H new ATOM 0 HA GLN A 90 1.108 3.621 -7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.906 5.075 -7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.135 6.339 -7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.304 3.625 -9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.115 4.599 -9.560 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.007 6.298 -10.978 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.471 6.768 -11.825 1.00 0.00 H new ATOM 434 N LYS A 91 2.791 6.393 -7.618 1.00 0.00 N ATOM 435 CA LYS A 91 4.012 6.951 -8.157 1.00 0.00 C ATOM 436 C LYS A 91 5.220 6.238 -7.555 1.00 0.00 C ATOM 437 O LYS A 91 6.193 5.934 -8.249 1.00 0.00 O ATOM 438 CB LYS A 91 4.027 8.447 -7.850 1.00 0.00 C ATOM 439 CG LYS A 91 3.541 9.304 -9.009 1.00 0.00 C ATOM 440 CD LYS A 91 4.681 9.720 -9.924 1.00 0.00 C ATOM 441 CE LYS A 91 4.900 11.223 -9.884 1.00 0.00 C ATOM 442 NZ LYS A 91 4.988 11.735 -8.488 1.00 0.00 N ATOM 0 H LYS A 91 2.176 7.082 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 91 4.060 6.810 -9.237 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.401 8.638 -6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.041 8.747 -7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.798 8.750 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.045 10.193 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.596 9.209 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.462 9.409 -10.946 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.816 11.471 -10.420 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.082 11.723 -10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.605 12.572 -8.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.038 11.995 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.382 10.996 -7.871 1.00 0.00 H new ATOM 456 N SER A 92 5.137 5.957 -6.257 1.00 0.00 N ATOM 457 CA SER A 92 6.203 5.256 -5.554 1.00 0.00 C ATOM 458 C SER A 92 6.405 3.872 -6.162 1.00 0.00 C ATOM 459 O SER A 92 7.520 3.495 -6.520 1.00 0.00 O ATOM 460 CB SER A 92 5.863 5.134 -4.066 1.00 0.00 C ATOM 461 OG SER A 92 6.738 4.231 -3.412 1.00 0.00 O ATOM 0 H SER A 92 4.340 6.206 -5.671 1.00 0.00 H new ATOM 0 HA SER A 92 7.127 5.825 -5.656 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.929 6.114 -3.594 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.834 4.794 -3.952 1.00 0.00 H new ATOM 0 HG SER A 92 6.606 4.292 -2.443 1.00 0.00 H new ATOM 467 N ILE A 93 5.312 3.122 -6.278 1.00 0.00 N ATOM 468 CA ILE A 93 5.357 1.784 -6.858 1.00 0.00 C ATOM 469 C ILE A 93 6.028 1.822 -8.228 1.00 0.00 C ATOM 470 O ILE A 93 6.979 1.085 -8.489 1.00 0.00 O ATOM 471 CB ILE A 93 3.937 1.186 -6.997 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.294 1.014 -5.620 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.977 -0.149 -7.730 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.805 0.748 -5.678 1.00 0.00 C ATOM 0 H ILE A 93 4.384 3.419 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 93 5.937 1.151 -6.186 1.00 0.00 H new ATOM 0 HB ILE A 93 3.334 1.879 -7.583 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.782 0.190 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.472 1.913 -5.030 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.966 -0.548 -7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.395 -0.005 -8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.599 -0.851 -7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.416 0.637 -4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.305 1.583 -6.169 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.621 -0.167 -6.241 1.00 0.00 H new ATOM 486 N SER A 94 5.522 2.691 -9.098 1.00 0.00 N ATOM 487 CA SER A 94 6.061 2.831 -10.446 1.00 0.00 C ATOM 488 C SER A 94 7.567 3.067 -10.412 1.00 0.00 C ATOM 489 O SER A 94 8.307 2.528 -11.236 1.00 0.00 O ATOM 490 CB SER A 94 5.363 3.978 -11.177 1.00 0.00 C ATOM 491 OG SER A 94 3.968 3.743 -11.275 1.00 0.00 O ATOM 0 H SER A 94 4.738 3.310 -8.892 1.00 0.00 H new ATOM 0 HA SER A 94 5.875 1.901 -10.984 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.542 4.914 -10.647 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.788 4.090 -12.175 1.00 0.00 H new ATOM 0 HG SER A 94 3.481 4.481 -10.853 1.00 0.00 H new ATOM 497 N GLN A 95 8.018 3.880 -9.462 1.00 0.00 N ATOM 498 CA GLN A 95 9.441 4.165 -9.322 1.00 0.00 C ATOM 499 C GLN A 95 10.165 2.980 -8.686 1.00 0.00 C ATOM 500 O GLN A 95 11.389 2.867 -8.771 1.00 0.00 O ATOM 501 CB GLN A 95 9.656 5.429 -8.490 1.00 0.00 C ATOM 502 CG GLN A 95 10.447 6.504 -9.220 1.00 0.00 C ATOM 503 CD GLN A 95 9.819 6.894 -10.544 1.00 0.00 C ATOM 504 OE1 GLN A 95 10.127 6.315 -11.586 1.00 0.00 O ATOM 505 NE2 GLN A 95 8.931 7.882 -10.509 1.00 0.00 N ATOM 0 H GLN A 95 7.422 4.351 -8.781 1.00 0.00 H new ATOM 0 HA GLN A 95 9.856 4.331 -10.316 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.686 5.835 -8.201 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.178 5.165 -7.570 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.525 7.387 -8.585 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.462 6.147 -9.395 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.706 8.334 -9.623 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.475 8.188 -11.368 1.00 0.00 H new ATOM 514 N LYS A 96 9.399 2.102 -8.039 1.00 0.00 N ATOM 515 CA LYS A 96 9.954 0.912 -7.410 1.00 0.00 C ATOM 516 C LYS A 96 10.081 -0.209 -8.432 1.00 0.00 C ATOM 517 O LYS A 96 11.067 -0.946 -8.452 1.00 0.00 O ATOM 518 CB LYS A 96 9.048 0.441 -6.271 1.00 0.00 C ATOM 519 CG LYS A 96 9.055 1.344 -5.050 1.00 0.00 C ATOM 520 CD LYS A 96 7.884 1.042 -4.121 1.00 0.00 C ATOM 521 CE LYS A 96 7.764 -0.448 -3.827 1.00 0.00 C ATOM 522 NZ LYS A 96 9.043 -1.018 -3.319 1.00 0.00 N ATOM 0 H LYS A 96 8.388 2.197 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 96 10.938 1.163 -7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.027 0.362 -6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.355 -0.560 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.992 1.217 -4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.009 2.386 -5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.012 1.588 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.959 1.399 -4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.976 -0.611 -3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.467 -0.974 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.446 -1.657 -4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.714 -0.247 -3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.863 -1.548 -2.443 1.00 0.00 H new ATOM 536 N LYS A 97 9.068 -0.319 -9.288 1.00 0.00 N ATOM 537 CA LYS A 97 9.030 -1.360 -10.304 1.00 0.00 C ATOM 538 C LYS A 97 8.768 -2.706 -9.638 1.00 0.00 C ATOM 539 O LYS A 97 9.663 -3.544 -9.522 1.00 0.00 O ATOM 540 CB LYS A 97 10.343 -1.395 -11.091 1.00 0.00 C ATOM 541 CG LYS A 97 10.158 -1.320 -12.600 1.00 0.00 C ATOM 542 CD LYS A 97 9.950 0.110 -13.075 1.00 0.00 C ATOM 543 CE LYS A 97 10.367 0.271 -14.529 1.00 0.00 C ATOM 544 NZ LYS A 97 9.947 1.584 -15.092 1.00 0.00 N ATOM 0 H LYS A 97 8.261 0.304 -9.295 1.00 0.00 H new ATOM 0 HA LYS A 97 8.225 -1.145 -11.007 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.970 -0.564 -10.770 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.879 -2.312 -10.845 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.032 -1.743 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.301 -1.928 -12.892 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.901 0.385 -12.962 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.528 0.791 -12.450 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.450 0.173 -14.608 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.931 -0.533 -15.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.252 1.650 -16.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.912 1.668 -15.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.384 2.352 -14.544 1.00 0.00 H new ATOM 558 N VAL A 98 7.532 -2.895 -9.184 1.00 0.00 N ATOM 559 CA VAL A 98 7.140 -4.124 -8.508 1.00 0.00 C ATOM 560 C VAL A 98 5.791 -4.630 -9.011 1.00 0.00 C ATOM 561 O VAL A 98 5.110 -3.952 -9.780 1.00 0.00 O ATOM 562 CB VAL A 98 7.062 -3.912 -6.984 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.453 -3.720 -6.400 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.173 -2.720 -6.659 1.00 0.00 C ATOM 0 H VAL A 98 6.783 -2.208 -9.274 1.00 0.00 H new ATOM 0 HA VAL A 98 7.903 -4.869 -8.732 1.00 0.00 H new ATOM 0 HB VAL A 98 6.623 -4.802 -6.533 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.378 -3.572 -5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.058 -4.603 -6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.921 -2.847 -6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.128 -2.583 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.584 -1.823 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.169 -2.899 -7.044 1.00 0.00 H new ATOM 574 N LYS A 99 5.409 -5.825 -8.567 1.00 0.00 N ATOM 575 CA LYS A 99 4.143 -6.423 -8.978 1.00 0.00 C ATOM 576 C LYS A 99 3.030 -6.104 -7.987 1.00 0.00 C ATOM 577 O LYS A 99 2.479 -6.999 -7.347 1.00 0.00 O ATOM 578 CB LYS A 99 4.290 -7.939 -9.119 1.00 0.00 C ATOM 579 CG LYS A 99 5.425 -8.357 -10.038 1.00 0.00 C ATOM 580 CD LYS A 99 4.942 -9.297 -11.129 1.00 0.00 C ATOM 581 CE LYS A 99 6.093 -9.770 -12.000 1.00 0.00 C ATOM 582 NZ LYS A 99 6.985 -8.647 -12.397 1.00 0.00 N ATOM 0 H LYS A 99 5.957 -6.397 -7.924 1.00 0.00 H new ATOM 0 HA LYS A 99 3.875 -5.995 -9.944 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.454 -8.373 -8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.356 -8.353 -9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.872 -7.472 -10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.205 -8.846 -9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.447 -10.157 -10.678 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.200 -8.790 -11.746 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.672 -10.520 -11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.698 -10.253 -12.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.574 -8.940 -13.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.409 -7.825 -12.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.597 -8.390 -11.596 1.00 0.00 H new ATOM 596 N ILE A 100 2.705 -4.824 -7.863 1.00 0.00 N ATOM 597 CA ILE A 100 1.649 -4.388 -6.960 1.00 0.00 C ATOM 598 C ILE A 100 0.666 -3.479 -7.687 1.00 0.00 C ATOM 599 O ILE A 100 1.038 -2.413 -8.176 1.00 0.00 O ATOM 600 CB ILE A 100 2.217 -3.643 -5.734 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.182 -4.545 -4.962 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.089 -3.171 -4.824 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.850 -3.854 -3.793 1.00 0.00 C ATOM 0 H ILE A 100 3.158 -4.069 -8.377 1.00 0.00 H new ATOM 0 HA ILE A 100 1.134 -5.284 -6.612 1.00 0.00 H new ATOM 0 HB ILE A 100 2.764 -2.769 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.639 -5.416 -4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.949 -4.911 -5.644 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.509 -2.648 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.435 -2.496 -5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.515 -4.031 -4.480 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.520 -4.553 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.421 -2.999 -4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.090 -3.512 -3.090 1.00 0.00 H new ATOM 615 N GLU A 101 -0.586 -3.912 -7.767 1.00 0.00 N ATOM 616 CA GLU A 101 -1.618 -3.127 -8.430 1.00 0.00 C ATOM 617 C GLU A 101 -2.875 -3.075 -7.578 1.00 0.00 C ATOM 618 O GLU A 101 -3.080 -3.916 -6.703 1.00 0.00 O ATOM 619 CB GLU A 101 -1.945 -3.707 -9.807 1.00 0.00 C ATOM 620 CG GLU A 101 -2.662 -5.047 -9.758 1.00 0.00 C ATOM 621 CD GLU A 101 -3.542 -5.274 -10.970 1.00 0.00 C ATOM 622 OE1 GLU A 101 -3.074 -5.016 -12.100 1.00 0.00 O ATOM 623 OE2 GLU A 101 -4.702 -5.700 -10.792 1.00 0.00 O ATOM 0 H GLU A 101 -0.910 -4.799 -7.382 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.237 -2.114 -8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.564 -2.995 -10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.019 -3.822 -10.371 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.926 -5.848 -9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.271 -5.098 -8.855 1.00 0.00 H new ATOM 630 N LEU A 102 -3.721 -2.089 -7.840 1.00 0.00 N ATOM 631 CA LEU A 102 -4.949 -1.937 -7.081 1.00 0.00 C ATOM 632 C LEU A 102 -6.016 -2.926 -7.530 1.00 0.00 C ATOM 633 O LEU A 102 -6.386 -2.972 -8.703 1.00 0.00 O ATOM 634 CB LEU A 102 -5.498 -0.518 -7.205 1.00 0.00 C ATOM 635 CG LEU A 102 -6.853 -0.327 -6.530 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.747 0.595 -5.332 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.885 0.183 -7.515 1.00 0.00 C ATOM 0 H LEU A 102 -3.579 -1.388 -8.567 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.700 -2.140 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.782 0.179 -6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.588 -0.263 -8.261 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.182 -1.302 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.729 0.710 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.055 0.169 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.380 1.570 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.841 0.310 -7.007 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.559 1.141 -7.920 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.998 -0.535 -8.327 1.00 0.00 H new ATOM 649 N ASP A 103 -6.509 -3.710 -6.582 1.00 0.00 N ATOM 650 CA ASP A 103 -7.561 -4.672 -6.861 1.00 0.00 C ATOM 651 C ASP A 103 -8.886 -3.928 -6.964 1.00 0.00 C ATOM 652 O ASP A 103 -9.382 -3.395 -5.972 1.00 0.00 O ATOM 653 CB ASP A 103 -7.633 -5.716 -5.748 1.00 0.00 C ATOM 654 CG ASP A 103 -8.171 -7.053 -6.226 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.627 -7.130 -7.386 1.00 0.00 O ATOM 656 OD2 ASP A 103 -8.131 -8.024 -5.440 1.00 0.00 O ATOM 0 H ASP A 103 -6.195 -3.697 -5.611 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.349 -5.186 -7.799 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.638 -5.860 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.268 -5.341 -4.945 1.00 0.00 H new ATOM 661 N LYS A 104 -9.448 -3.876 -8.164 1.00 0.00 N ATOM 662 CA LYS A 104 -10.703 -3.164 -8.384 1.00 0.00 C ATOM 663 C LYS A 104 -11.916 -3.967 -7.913 1.00 0.00 C ATOM 664 O LYS A 104 -13.041 -3.469 -7.948 1.00 0.00 O ATOM 665 CB LYS A 104 -10.846 -2.808 -9.861 1.00 0.00 C ATOM 666 CG LYS A 104 -9.820 -1.794 -10.339 1.00 0.00 C ATOM 667 CD LYS A 104 -10.419 -0.401 -10.453 1.00 0.00 C ATOM 668 CE LYS A 104 -11.573 -0.375 -11.442 1.00 0.00 C ATOM 669 NZ LYS A 104 -11.337 -1.285 -12.597 1.00 0.00 N ATOM 0 H LYS A 104 -9.058 -4.316 -8.998 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.671 -2.252 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.753 -3.716 -10.457 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.846 -2.412 -10.037 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.979 -1.773 -9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.428 -2.102 -11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.769 -0.072 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.650 0.303 -10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.493 -0.665 -10.934 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.717 0.643 -11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.958 -1.014 -13.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.344 -1.213 -12.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.543 -2.265 -12.315 1.00 0.00 H new ATOM 683 N SER A 105 -11.695 -5.202 -7.471 1.00 0.00 N ATOM 684 CA SER A 105 -12.790 -6.042 -6.999 1.00 0.00 C ATOM 685 C SER A 105 -13.165 -5.716 -5.551 1.00 0.00 C ATOM 686 O SER A 105 -14.115 -6.283 -5.011 1.00 0.00 O ATOM 687 CB SER A 105 -12.417 -7.521 -7.115 1.00 0.00 C ATOM 688 OG SER A 105 -11.441 -7.879 -6.154 1.00 0.00 O ATOM 0 H SER A 105 -10.775 -5.640 -7.430 1.00 0.00 H new ATOM 0 HA SER A 105 -13.655 -5.837 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.307 -8.135 -6.979 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.038 -7.726 -8.116 1.00 0.00 H new ATOM 0 HG SER A 105 -11.222 -8.829 -6.249 1.00 0.00 H new ATOM 694 N ALA A 106 -12.420 -4.803 -4.920 1.00 0.00 N ATOM 695 CA ALA A 106 -12.690 -4.422 -3.535 1.00 0.00 C ATOM 696 C ALA A 106 -13.948 -3.565 -3.434 1.00 0.00 C ATOM 697 O ALA A 106 -14.806 -3.594 -4.317 1.00 0.00 O ATOM 698 CB ALA A 106 -11.498 -3.674 -2.946 1.00 0.00 C ATOM 0 H ALA A 106 -11.630 -4.318 -5.346 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.853 -5.336 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.716 -3.398 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.617 -4.315 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.308 -2.774 -3.531 1.00 0.00 H new ATOM 704 N ARG A 107 -14.063 -2.830 -2.332 1.00 0.00 N ATOM 705 CA ARG A 107 -15.198 -1.947 -2.107 1.00 0.00 C ATOM 706 C ARG A 107 -14.756 -0.616 -1.496 1.00 0.00 C ATOM 707 O ARG A 107 -15.593 0.225 -1.168 1.00 0.00 O ATOM 708 CB ARG A 107 -16.206 -2.609 -1.172 1.00 0.00 C ATOM 709 CG ARG A 107 -16.867 -3.847 -1.753 1.00 0.00 C ATOM 710 CD ARG A 107 -17.788 -4.517 -0.744 1.00 0.00 C ATOM 711 NE ARG A 107 -18.673 -3.557 -0.077 1.00 0.00 N ATOM 712 CZ ARG A 107 -19.926 -3.814 0.293 1.00 0.00 C ATOM 713 NH1 ARG A 107 -20.462 -5.015 0.102 1.00 0.00 N ATOM 714 NH2 ARG A 107 -20.647 -2.864 0.873 1.00 0.00 N ATOM 0 H ARG A 107 -13.377 -2.830 -1.577 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.659 -1.754 -3.076 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.702 -2.880 -0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.978 -1.884 -0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.437 -3.573 -2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.101 -4.553 -2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.390 -5.272 -1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -17.188 -5.036 0.004 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.303 -2.627 0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.912 -5.755 -0.334 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -21.423 -5.196 0.391 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -20.241 -1.942 1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -21.607 -3.055 1.158 1.00 0.00 H new ATOM 728 N HIS A 108 -13.446 -0.420 -1.349 1.00 0.00 N ATOM 729 CA HIS A 108 -12.929 0.802 -0.753 1.00 0.00 C ATOM 730 C HIS A 108 -11.454 0.988 -1.060 1.00 0.00 C ATOM 731 O HIS A 108 -10.835 0.160 -1.727 1.00 0.00 O ATOM 732 CB HIS A 108 -13.118 0.761 0.765 1.00 0.00 C ATOM 733 CG HIS A 108 -12.520 -0.452 1.431 1.00 0.00 C ATOM 734 ND1 HIS A 108 -11.285 -0.988 1.107 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.998 -1.226 2.429 1.00 0.00 C ATOM 736 CE1 HIS A 108 -11.041 -2.029 1.880 1.00 0.00 C ATOM 737 NE2 HIS A 108 -12.061 -2.192 2.692 1.00 0.00 N ATOM 0 H HIS A 108 -12.731 -1.089 -1.634 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.483 1.638 -1.180 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.673 1.656 1.199 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.184 0.795 0.988 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -10.661 -0.633 0.383 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.947 -1.106 2.930 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -10.153 -2.643 1.850 1.00 0.00 H new ATOM 746 N LEU A 109 -10.893 2.074 -0.547 1.00 0.00 N ATOM 747 CA LEU A 109 -9.481 2.363 -0.728 1.00 0.00 C ATOM 748 C LEU A 109 -8.785 2.406 0.627 1.00 0.00 C ATOM 749 O LEU A 109 -8.589 3.474 1.206 1.00 0.00 O ATOM 750 CB LEU A 109 -9.281 3.685 -1.469 1.00 0.00 C ATOM 751 CG LEU A 109 -9.782 3.699 -2.914 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.330 4.967 -3.621 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.295 2.466 -3.659 1.00 0.00 C ATOM 0 H LEU A 109 -11.398 2.771 -0.000 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.042 1.570 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.790 4.474 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.219 3.928 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.872 3.683 -2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.695 4.961 -4.648 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.729 5.837 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.241 5.014 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.661 2.493 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.205 2.450 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.669 1.570 -3.164 1.00 0.00 H new ATOM 765 N TYR A 110 -8.441 1.229 1.136 1.00 0.00 N ATOM 766 CA TYR A 110 -7.766 1.113 2.422 1.00 0.00 C ATOM 767 C TYR A 110 -6.722 0.007 2.380 1.00 0.00 C ATOM 768 O TYR A 110 -7.042 -1.152 2.119 1.00 0.00 O ATOM 769 CB TYR A 110 -8.774 0.831 3.538 1.00 0.00 C ATOM 770 CG TYR A 110 -9.452 2.068 4.081 1.00 0.00 C ATOM 771 CD1 TYR A 110 -8.841 2.844 5.060 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.702 2.460 3.620 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.458 3.974 5.562 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.325 3.589 4.118 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.699 4.341 5.088 1.00 0.00 C ATOM 776 OH TYR A 110 -11.316 5.465 5.587 1.00 0.00 O ATOM 0 H TYR A 110 -8.620 0.337 0.674 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.269 2.061 2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.535 0.147 3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.263 0.321 4.355 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.869 2.559 5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.196 1.873 2.860 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -8.970 4.567 6.322 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.297 3.880 3.749 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.184 5.584 5.147 1.00 0.00 H new ATOM 786 N ILE A 111 -5.473 0.373 2.631 1.00 0.00 N ATOM 787 CA ILE A 111 -4.382 -0.590 2.625 1.00 0.00 C ATOM 788 C ILE A 111 -4.005 -0.994 4.043 1.00 0.00 C ATOM 789 O ILE A 111 -4.450 -0.381 5.014 1.00 0.00 O ATOM 790 CB ILE A 111 -3.136 -0.026 1.918 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.653 1.241 2.625 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.440 0.257 0.454 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.353 1.784 2.074 1.00 0.00 C ATOM 0 H ILE A 111 -5.190 1.330 2.841 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.734 -1.465 2.078 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.341 -0.770 1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.422 2.009 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.528 1.029 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.549 0.655 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.741 -0.667 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.248 0.986 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.072 2.682 2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.570 1.033 2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.479 2.028 1.019 1.00 0.00 H new ATOM 805 N CYS A 112 -3.185 -2.030 4.156 1.00 0.00 N ATOM 806 CA CYS A 112 -2.741 -2.509 5.455 1.00 0.00 C ATOM 807 C CYS A 112 -1.504 -1.745 5.911 1.00 0.00 C ATOM 808 O CYS A 112 -0.965 -0.920 5.174 1.00 0.00 O ATOM 809 CB CYS A 112 -2.438 -4.007 5.393 1.00 0.00 C ATOM 810 SG CYS A 112 -1.223 -4.458 4.134 1.00 0.00 S ATOM 0 H CYS A 112 -2.815 -2.554 3.363 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.541 -2.340 6.176 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.076 -4.335 6.367 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.365 -4.547 5.199 1.00 0.00 H new ATOM 815 N ASP A 113 -1.067 -2.014 7.134 1.00 0.00 N ATOM 816 CA ASP A 113 0.111 -1.358 7.686 1.00 0.00 C ATOM 817 C ASP A 113 1.381 -1.915 7.047 1.00 0.00 C ATOM 818 O ASP A 113 2.391 -1.220 6.933 1.00 0.00 O ATOM 819 CB ASP A 113 0.160 -1.553 9.202 1.00 0.00 C ATOM 820 CG ASP A 113 -1.186 -1.315 9.857 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.473 -0.155 10.222 1.00 0.00 O ATOM 822 OD2 ASP A 113 -1.955 -2.288 10.007 1.00 0.00 O ATOM 0 H ASP A 113 -1.511 -2.683 7.763 1.00 0.00 H new ATOM 0 HA ASP A 113 0.049 -0.292 7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.496 -2.566 9.425 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.895 -0.872 9.630 1.00 0.00 H new ATOM 827 N TYR A 114 1.312 -3.173 6.628 1.00 0.00 N ATOM 828 CA TYR A 114 2.444 -3.853 6.008 1.00 0.00 C ATOM 829 C TYR A 114 2.918 -3.126 4.751 1.00 0.00 C ATOM 830 O TYR A 114 4.053 -2.652 4.687 1.00 0.00 O ATOM 831 CB TYR A 114 2.048 -5.290 5.660 1.00 0.00 C ATOM 832 CG TYR A 114 3.186 -6.143 5.146 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.009 -6.838 6.022 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.431 -6.261 3.783 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.043 -7.628 5.556 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.464 -7.047 3.310 1.00 0.00 C ATOM 837 CZ TYR A 114 5.267 -7.729 4.201 1.00 0.00 C ATOM 838 OH TYR A 114 6.295 -8.516 3.733 1.00 0.00 O ATOM 0 H TYR A 114 0.474 -3.749 6.708 1.00 0.00 H new ATOM 0 HA TYR A 114 3.269 -3.857 6.720 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.627 -5.763 6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.260 -5.265 4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 114 3.838 -6.760 7.086 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.804 -5.730 3.082 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.672 -8.164 6.251 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.642 -7.127 2.248 1.00 0.00 H new ATOM 0 HH TYR A 114 6.316 -8.479 2.754 1.00 0.00 H new ATOM 848 N HIS A 115 2.041 -3.032 3.757 1.00 0.00 N ATOM 849 CA HIS A 115 2.379 -2.374 2.499 1.00 0.00 C ATOM 850 C HIS A 115 2.613 -0.878 2.690 1.00 0.00 C ATOM 851 O HIS A 115 3.344 -0.256 1.920 1.00 0.00 O ATOM 852 CB HIS A 115 1.279 -2.611 1.460 1.00 0.00 C ATOM 853 CG HIS A 115 1.301 -3.988 0.869 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.172 -4.770 0.824 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.332 -4.669 0.310 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.535 -5.899 0.243 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.836 -5.885 -0.086 1.00 0.00 N ATOM 0 H HIS A 115 1.092 -3.403 3.798 1.00 0.00 H new ATOM 0 HA HIS A 115 3.310 -2.812 2.138 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.308 -2.439 1.925 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.383 -1.879 0.659 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.348 -4.321 0.198 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.131 -6.729 0.056 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.356 -6.634 -0.543 1.00 0.00 H new ATOM 865 N LYS A 116 1.996 -0.303 3.718 1.00 0.00 N ATOM 866 CA LYS A 116 2.155 1.123 3.994 1.00 0.00 C ATOM 867 C LYS A 116 3.585 1.432 4.419 1.00 0.00 C ATOM 868 O LYS A 116 4.250 2.284 3.834 1.00 0.00 O ATOM 869 CB LYS A 116 1.191 1.562 5.097 1.00 0.00 C ATOM 870 CG LYS A 116 1.277 3.045 5.428 1.00 0.00 C ATOM 871 CD LYS A 116 0.879 3.311 6.872 1.00 0.00 C ATOM 872 CE LYS A 116 2.092 3.565 7.757 1.00 0.00 C ATOM 873 NZ LYS A 116 3.262 2.730 7.367 1.00 0.00 N ATOM 0 H LYS A 116 1.386 -0.797 4.369 1.00 0.00 H new ATOM 0 HA LYS A 116 1.930 1.671 3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.172 1.325 4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.397 0.985 5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.293 3.400 5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.626 3.608 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.213 4.173 6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.320 2.458 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.366 4.619 7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.831 3.359 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.974 2.755 8.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 2.953 1.749 7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.677 3.102 6.489 1.00 0.00 H new ATOM 887 N ASN A 117 4.051 0.719 5.438 1.00 0.00 N ATOM 888 CA ASN A 117 5.399 0.906 5.960 1.00 0.00 C ATOM 889 C ASN A 117 6.444 0.406 4.970 1.00 0.00 C ATOM 890 O ASN A 117 7.567 0.906 4.926 1.00 0.00 O ATOM 891 CB ASN A 117 5.550 0.158 7.287 1.00 0.00 C ATOM 892 CG ASN A 117 6.950 0.255 7.856 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.562 1.323 7.855 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.472 -0.868 8.337 1.00 0.00 N ATOM 0 H ASN A 117 3.511 0.002 5.922 1.00 0.00 H new ATOM 0 HA ASN A 117 5.557 1.973 6.119 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.840 0.561 8.009 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.294 -0.891 7.139 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.415 -0.867 8.725 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.929 -1.732 8.318 1.00 0.00 H new ATOM 901 N LEU A 118 6.057 -0.580 4.172 1.00 0.00 N ATOM 902 CA LEU A 118 6.953 -1.174 3.188 1.00 0.00 C ATOM 903 C LEU A 118 7.195 -0.238 2.003 1.00 0.00 C ATOM 904 O LEU A 118 8.338 0.002 1.614 1.00 0.00 O ATOM 905 CB LEU A 118 6.358 -2.498 2.695 1.00 0.00 C ATOM 906 CG LEU A 118 7.336 -3.451 2.004 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.650 -4.769 1.675 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.904 -2.821 0.743 1.00 0.00 C ATOM 0 H LEU A 118 5.122 -0.988 4.187 1.00 0.00 H new ATOM 0 HA LEU A 118 7.915 -1.352 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.916 -3.015 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.547 -2.274 2.002 1.00 0.00 H new ATOM 0 HG LEU A 118 8.161 -3.648 2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.359 -5.436 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.293 -5.233 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.806 -4.584 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.596 -3.517 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.092 -2.591 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.432 -1.903 1.001 1.00 0.00 H new ATOM 920 N ILE A 119 6.117 0.303 1.449 1.00 0.00 N ATOM 921 CA ILE A 119 6.202 1.181 0.282 1.00 0.00 C ATOM 922 C ILE A 119 6.623 2.610 0.630 1.00 0.00 C ATOM 923 O ILE A 119 7.430 3.211 -0.079 1.00 0.00 O ATOM 924 CB ILE A 119 4.851 1.212 -0.462 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.498 -0.194 -0.934 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.885 2.181 -1.638 1.00 0.00 C ATOM 927 CD1 ILE A 119 3.171 -0.283 -1.656 1.00 0.00 C ATOM 0 H ILE A 119 5.168 0.150 1.789 1.00 0.00 H new ATOM 0 HA ILE A 119 6.979 0.763 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 119 4.084 1.565 0.227 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.286 -0.553 -1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.477 -0.861 -0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.917 2.178 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.103 3.186 -1.275 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.659 1.873 -2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.991 -1.314 -1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.372 0.044 -0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 119 3.193 0.357 -2.538 1.00 0.00 H new ATOM 939 N GLN A 120 6.080 3.151 1.709 1.00 0.00 N ATOM 940 CA GLN A 120 6.385 4.523 2.108 1.00 0.00 C ATOM 941 C GLN A 120 7.857 4.740 2.452 1.00 0.00 C ATOM 942 O GLN A 120 8.417 5.793 2.147 1.00 0.00 O ATOM 943 CB GLN A 120 5.550 4.928 3.324 1.00 0.00 C ATOM 944 CG GLN A 120 4.151 5.399 2.991 1.00 0.00 C ATOM 945 CD GLN A 120 3.578 6.321 4.054 1.00 0.00 C ATOM 946 OE1 GLN A 120 2.783 7.211 3.752 1.00 0.00 O ATOM 947 NE2 GLN A 120 3.976 6.118 5.309 1.00 0.00 N ATOM 0 H GLN A 120 5.427 2.666 2.325 1.00 0.00 H new ATOM 0 HA GLN A 120 6.143 5.140 1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.482 4.078 4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.070 5.722 3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.165 5.919 2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.498 4.534 2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.636 5.370 5.520 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.620 6.711 6.059 1.00 0.00 H new ATOM 956 N SER A 121 8.488 3.747 3.066 1.00 0.00 N ATOM 957 CA SER A 121 9.869 3.899 3.518 1.00 0.00 C ATOM 958 C SER A 121 10.929 3.498 2.491 1.00 0.00 C ATOM 959 O SER A 121 11.998 3.017 2.864 1.00 0.00 O ATOM 960 CB SER A 121 10.069 3.109 4.808 1.00 0.00 C ATOM 961 OG SER A 121 10.035 3.966 5.937 1.00 0.00 O ATOM 0 H SER A 121 8.073 2.836 3.262 1.00 0.00 H new ATOM 0 HA SER A 121 10.015 4.967 3.682 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.292 2.350 4.899 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.024 2.584 4.773 1.00 0.00 H new ATOM 0 HG SER A 121 10.164 3.438 6.753 1.00 0.00 H new ATOM 967 N VAL A 122 10.658 3.707 1.209 1.00 0.00 N ATOM 968 CA VAL A 122 11.643 3.391 0.179 1.00 0.00 C ATOM 969 C VAL A 122 12.287 4.679 -0.331 1.00 0.00 C ATOM 970 O VAL A 122 13.455 4.696 -0.718 1.00 0.00 O ATOM 971 CB VAL A 122 11.032 2.593 -0.992 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.045 2.412 -2.116 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.537 1.241 -0.501 1.00 0.00 C ATOM 0 H VAL A 122 9.779 4.088 0.860 1.00 0.00 H new ATOM 0 HA VAL A 122 12.404 2.755 0.633 1.00 0.00 H new ATOM 0 HB VAL A 122 10.187 3.157 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.589 1.847 -2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.358 3.389 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 122 12.913 1.871 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.108 0.686 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.371 0.678 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.777 1.389 0.266 1.00 0.00 H new ATOM 983 N ARG A 123 11.506 5.753 -0.330 1.00 0.00 N ATOM 984 CA ARG A 123 11.990 7.061 -0.747 1.00 0.00 C ATOM 985 C ARG A 123 11.638 8.104 0.306 1.00 0.00 C ATOM 986 O ARG A 123 10.679 8.861 0.153 1.00 0.00 O ATOM 987 CB ARG A 123 11.382 7.458 -2.084 1.00 0.00 C ATOM 988 CG ARG A 123 11.282 6.304 -3.062 1.00 0.00 C ATOM 989 CD ARG A 123 10.811 6.778 -4.425 1.00 0.00 C ATOM 990 NE ARG A 123 9.583 7.562 -4.322 1.00 0.00 N ATOM 991 CZ ARG A 123 8.863 7.952 -5.364 1.00 0.00 C ATOM 992 NH1 ARG A 123 9.228 7.612 -6.589 1.00 0.00 N ATOM 993 NH2 ARG A 123 7.771 8.679 -5.176 1.00 0.00 N ATOM 0 H ARG A 123 10.527 5.741 -0.042 1.00 0.00 H new ATOM 0 HA ARG A 123 13.073 7.008 -0.858 1.00 0.00 H new ATOM 0 HB2 ARG A 123 10.387 7.870 -1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.984 8.251 -2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 123 12.254 5.820 -3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 123 10.590 5.555 -2.676 1.00 0.00 H new ATOM 0 HD2 ARG A 123 11.591 7.380 -4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.642 5.918 -5.073 1.00 0.00 H new ATOM 0 HE ARG A 123 9.260 7.825 -3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 123 10.066 7.048 -6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 123 8.672 7.914 -7.389 1.00 0.00 H new ATOM 0 HH21 ARG A 123 7.487 8.937 -4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 123 7.215 8.981 -5.976 1.00 0.00 H new ATOM 1007 N ASN A 124 12.419 8.129 1.378 1.00 0.00 N ATOM 1008 CA ASN A 124 12.193 9.062 2.471 1.00 0.00 C ATOM 1009 C ASN A 124 13.449 9.883 2.745 1.00 0.00 C ATOM 1010 O ASN A 124 14.454 9.356 3.220 1.00 0.00 O ATOM 1011 CB ASN A 124 11.773 8.296 3.730 1.00 0.00 C ATOM 1012 CG ASN A 124 12.785 7.237 4.131 1.00 0.00 C ATOM 1013 OD1 ASN A 124 13.452 7.358 5.159 1.00 0.00 O ATOM 1014 ND2 ASN A 124 12.904 6.191 3.322 1.00 0.00 N ATOM 0 H ASN A 124 13.218 7.510 1.513 1.00 0.00 H new ATOM 0 HA ASN A 124 11.393 9.746 2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 124 11.642 8.999 4.553 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.806 7.823 3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 124 13.568 5.448 3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 124 12.332 6.130 2.480 1.00 0.00 H new ATOM 1021 N ARG A 125 13.386 11.175 2.436 1.00 0.00 N ATOM 1022 CA ARG A 125 14.524 12.069 2.640 1.00 0.00 C ATOM 1023 C ARG A 125 14.218 13.122 3.702 1.00 0.00 C ATOM 1024 O ARG A 125 15.017 13.363 4.605 1.00 0.00 O ATOM 1025 CB ARG A 125 14.900 12.756 1.325 1.00 0.00 C ATOM 1026 CG ARG A 125 15.922 11.989 0.503 1.00 0.00 C ATOM 1027 CD ARG A 125 16.392 12.794 -0.699 1.00 0.00 C ATOM 1028 NE ARG A 125 15.413 12.787 -1.782 1.00 0.00 N ATOM 1029 CZ ARG A 125 15.403 13.676 -2.772 1.00 0.00 C ATOM 1030 NH1 ARG A 125 16.299 14.652 -2.800 1.00 0.00 N ATOM 1031 NH2 ARG A 125 14.491 13.591 -3.731 1.00 0.00 N ATOM 0 H ARG A 125 12.560 11.627 2.044 1.00 0.00 H new ATOM 0 HA ARG A 125 15.363 11.466 2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 125 13.999 12.896 0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 125 15.294 13.748 1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 125 16.778 11.736 1.129 1.00 0.00 H new ATOM 0 HG3 ARG A 125 15.486 11.049 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 125 16.586 13.822 -0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.336 12.386 -1.061 1.00 0.00 H new ATOM 0 HE ARG A 125 14.697 12.060 -1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 125 16.999 14.723 -2.061 1.00 0.00 H new ATOM 0 HH12 ARG A 125 16.289 15.332 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 125 13.797 12.844 -3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 125 14.484 14.273 -4.490 1.00 0.00 H new ATOM 1045 N ARG A 126 13.054 13.743 3.577 1.00 0.00 N ATOM 1046 CA ARG A 126 12.617 14.781 4.510 1.00 0.00 C ATOM 1047 C ARG A 126 11.109 14.972 4.386 1.00 0.00 C ATOM 1048 O ARG A 126 10.401 15.138 5.378 1.00 0.00 O ATOM 1049 CB ARG A 126 13.347 16.098 4.223 1.00 0.00 C ATOM 1050 CG ARG A 126 13.590 16.949 5.461 1.00 0.00 C ATOM 1051 CD ARG A 126 14.375 18.209 5.127 1.00 0.00 C ATOM 1052 NE ARG A 126 14.919 18.851 6.323 1.00 0.00 N ATOM 1053 CZ ARG A 126 15.756 19.885 6.291 1.00 0.00 C ATOM 1054 NH1 ARG A 126 16.133 20.401 5.128 1.00 0.00 N ATOM 1055 NH2 ARG A 126 16.213 20.406 7.420 1.00 0.00 N ATOM 0 H ARG A 126 12.386 13.546 2.831 1.00 0.00 H new ATOM 0 HA ARG A 126 12.857 14.473 5.528 1.00 0.00 H new ATOM 0 HB2 ARG A 126 14.305 15.876 3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.765 16.676 3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.635 17.222 5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.135 16.366 6.203 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.190 17.959 4.448 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.727 18.911 4.602 1.00 0.00 H new ATOM 0 HE ARG A 126 14.641 18.485 7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 126 15.781 20.005 4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 126 16.775 21.194 5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.923 20.015 8.316 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.855 21.199 7.393 1.00 0.00 H new ATOM 1069 N LYS A 127 10.640 14.957 3.143 1.00 0.00 N ATOM 1070 CA LYS A 127 9.226 15.085 2.823 1.00 0.00 C ATOM 1071 C LYS A 127 8.504 16.100 3.702 1.00 0.00 C ATOM 1072 O LYS A 127 7.651 15.742 4.514 1.00 0.00 O ATOM 1073 CB LYS A 127 8.530 13.727 2.909 1.00 0.00 C ATOM 1074 CG LYS A 127 7.320 13.619 1.996 1.00 0.00 C ATOM 1075 CD LYS A 127 7.155 12.213 1.439 1.00 0.00 C ATOM 1076 CE LYS A 127 6.249 11.363 2.314 1.00 0.00 C ATOM 1077 NZ LYS A 127 4.883 11.946 2.434 1.00 0.00 N ATOM 0 H LYS A 127 11.238 14.855 2.323 1.00 0.00 H new ATOM 0 HA LYS A 127 9.175 15.458 1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.243 12.943 2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 127 8.218 13.550 3.938 1.00 0.00 H new ATOM 0 HG2 LYS A 127 6.423 13.899 2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 127 7.422 14.326 1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 127 6.742 12.267 0.432 1.00 0.00 H new ATOM 0 HD3 LYS A 127 8.132 11.737 1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 127 6.179 10.359 1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 127 6.690 11.266 3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 4.190 11.182 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 4.851 12.589 3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 4.654 12.474 1.568 1.00 0.00 H new ATOM 1091 N ARG A 128 8.870 17.363 3.547 1.00 0.00 N ATOM 1092 CA ARG A 128 8.216 18.443 4.271 1.00 0.00 C ATOM 1093 C ARG A 128 7.828 19.574 3.311 1.00 0.00 C ATOM 1094 O ARG A 128 7.220 20.561 3.724 1.00 0.00 O ATOM 1095 CB ARG A 128 9.110 18.987 5.390 1.00 0.00 C ATOM 1096 CG ARG A 128 8.322 19.679 6.496 1.00 0.00 C ATOM 1097 CD ARG A 128 9.001 20.957 6.960 1.00 0.00 C ATOM 1098 NE ARG A 128 8.028 21.958 7.408 1.00 0.00 N ATOM 1099 CZ ARG A 128 7.656 22.143 8.676 1.00 0.00 C ATOM 1100 NH1 ARG A 128 8.149 21.386 9.649 1.00 0.00 N ATOM 1101 NH2 ARG A 128 6.774 23.089 8.970 1.00 0.00 N ATOM 0 H ARG A 128 9.619 17.666 2.924 1.00 0.00 H new ATOM 0 HA ARG A 128 7.313 18.037 4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.685 18.167 5.819 1.00 0.00 H new ATOM 0 HB3 ARG A 128 9.826 19.691 4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 128 7.319 19.910 6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 128 8.210 19.000 7.341 1.00 0.00 H new ATOM 0 HD2 ARG A 128 9.689 20.728 7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 128 9.597 21.368 6.145 1.00 0.00 H new ATOM 0 HE ARG A 128 7.605 22.557 6.699 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.822 20.651 9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 128 7.855 21.540 10.614 1.00 0.00 H new ATOM 0 HH21 ARG A 128 6.384 23.671 8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 128 6.486 23.235 9.938 1.00 0.00 H new ATOM 1115 N LYS A 129 8.170 19.422 2.024 1.00 0.00 N ATOM 1116 CA LYS A 129 7.855 20.432 1.025 1.00 0.00 C ATOM 1117 C LYS A 129 8.486 21.774 1.404 1.00 0.00 C ATOM 1118 O LYS A 129 9.495 21.814 2.108 1.00 0.00 O ATOM 1119 CB LYS A 129 6.332 20.552 0.876 1.00 0.00 C ATOM 1120 CG LYS A 129 5.835 20.353 -0.553 1.00 0.00 C ATOM 1121 CD LYS A 129 6.228 21.511 -1.461 1.00 0.00 C ATOM 1122 CE LYS A 129 5.671 21.346 -2.866 1.00 0.00 C ATOM 1123 NZ LYS A 129 6.411 20.314 -3.643 1.00 0.00 N ATOM 0 H LYS A 129 8.664 18.608 1.659 1.00 0.00 H new ATOM 0 HA LYS A 129 8.272 20.132 0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 129 5.854 19.816 1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 129 6.018 21.535 1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.243 19.425 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 129 4.750 20.248 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 129 5.865 22.446 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.315 21.583 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 129 4.618 21.070 -2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 129 5.722 22.300 -3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 5.999 20.234 -4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 7.411 20.589 -3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 6.341 19.397 -3.157 1.00 0.00 H new ATOM 1137 N GLY A 130 7.904 22.863 0.916 1.00 0.00 N ATOM 1138 CA GLY A 130 8.411 24.185 1.211 1.00 0.00 C ATOM 1139 C GLY A 130 7.484 25.257 0.678 1.00 0.00 C ATOM 1140 O GLY A 130 7.915 26.165 -0.031 1.00 0.00 O ATOM 0 H GLY A 130 7.080 22.850 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.525 24.302 2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 130 9.401 24.305 0.771 1.00 0.00 H new ATOM 1144 N SER A 131 6.203 25.139 1.013 1.00 0.00 N ATOM 1145 CA SER A 131 5.198 26.092 0.559 1.00 0.00 C ATOM 1146 C SER A 131 5.035 26.026 -0.955 1.00 0.00 C ATOM 1147 O SER A 131 5.695 26.820 -1.657 1.00 0.00 O ATOM 1148 CB SER A 131 5.575 27.513 0.981 1.00 0.00 C ATOM 1149 OG SER A 131 4.981 27.851 2.223 1.00 0.00 O ATOM 1150 OXT SER A 131 4.249 25.176 -1.427 1.00 0.00 O ATOM 0 H SER A 131 5.836 24.390 1.600 1.00 0.00 H new ATOM 0 HA SER A 131 4.249 25.826 1.024 1.00 0.00 H new ATOM 0 HB2 SER A 131 6.659 27.597 1.058 1.00 0.00 H new ATOM 0 HB3 SER A 131 5.254 28.220 0.216 1.00 0.00 H new ATOM 0 HG SER A 131 5.239 28.763 2.471 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.271 -5.416 2.032 1.00 0.00 ZN