USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 68 CYS SG : rot 173:sc= -1.29 USER MOD Set 1.2: A 108 HIS : no HD1:sc= -1.08 K(o=-2.4,f=-6.5!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.1) USER MOD Single : A 82 ASN : amide:sc=-3.49e-05 X(o=-3.5e-05,f=-0.21) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.175 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -2.95! C(o=-3!,f=-2.1!) USER MOD Single : A 91 LYS NZ :NH3+ 147:sc= -0.474 (180deg=-1.95!) USER MOD Single : A 92 SER OG : rot 179:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.447 K(o=-0.45,f=-1.6) USER MOD Single : A 96 LYS NZ :NH3+ 146:sc= -0.206 (180deg=-1.11!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -166:sc= -0.0539 (180deg=-0.328) USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= -0.0421 (180deg=-0.302) 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= -3.67 (180deg=-4.49!) USER MOD Single : A 117 ASN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.0165 X(o=-0.016,f=-0.17) USER MOD Single : A 127 LYS NZ :NH3+ 163:sc= -0.0215 (180deg=-0.272) 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 -16.265 -10.486 5.100 1.00 0.00 N ATOM 2 CA SER A 61 -16.940 -10.094 6.363 1.00 0.00 C ATOM 3 C SER A 61 -16.854 -8.589 6.602 1.00 0.00 C ATOM 4 O SER A 61 -15.913 -7.924 6.163 1.00 0.00 O ATOM 5 CB SER A 61 -16.324 -10.836 7.549 1.00 0.00 C ATOM 6 OG SER A 61 -17.110 -10.663 8.715 1.00 0.00 O ATOM 0 HA SER A 61 -17.991 -10.366 6.269 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.240 -11.897 7.316 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.314 -10.469 7.728 1.00 0.00 H new ATOM 0 HG SER A 61 -16.699 -11.147 9.461 1.00 0.00 H new ATOM 14 N ASN A 62 -17.850 -8.064 7.308 1.00 0.00 N ATOM 15 CA ASN A 62 -17.910 -6.643 7.624 1.00 0.00 C ATOM 16 C ASN A 62 -17.481 -6.393 9.066 1.00 0.00 C ATOM 17 O ASN A 62 -18.208 -5.788 9.854 1.00 0.00 O ATOM 18 CB ASN A 62 -19.324 -6.114 7.389 1.00 0.00 C ATOM 19 CG ASN A 62 -19.700 -6.122 5.920 1.00 0.00 C ATOM 20 OD1 ASN A 62 -19.769 -5.074 5.278 1.00 0.00 O ATOM 21 ND2 ASN A 62 -19.931 -7.311 5.376 1.00 0.00 N ATOM 0 H ASN A 62 -18.632 -8.607 7.674 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.221 -6.112 6.967 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -20.035 -6.722 7.948 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -19.399 -5.098 7.776 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.177 -7.381 4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.863 -8.154 5.946 1.00 0.00 H new ATOM 28 N ALA A 63 -16.291 -6.877 9.397 1.00 0.00 N ATOM 29 CA ALA A 63 -15.720 -6.718 10.728 1.00 0.00 C ATOM 30 C ALA A 63 -14.259 -7.142 10.703 1.00 0.00 C ATOM 31 O ALA A 63 -13.923 -8.277 11.039 1.00 0.00 O ATOM 32 CB ALA A 63 -16.500 -7.527 11.753 1.00 0.00 C ATOM 0 H ALA A 63 -15.694 -7.391 8.750 1.00 0.00 H new ATOM 0 HA ALA A 63 -15.783 -5.670 11.020 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.054 -7.392 12.739 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -17.535 -7.187 11.773 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -16.470 -8.583 11.483 1.00 0.00 H new ATOM 38 N GLY A 64 -13.397 -6.221 10.291 1.00 0.00 N ATOM 39 CA GLY A 64 -11.983 -6.520 10.186 1.00 0.00 C ATOM 40 C GLY A 64 -11.598 -6.804 8.749 1.00 0.00 C ATOM 41 O GLY A 64 -11.198 -7.918 8.409 1.00 0.00 O ATOM 0 H GLY A 64 -13.654 -5.270 10.027 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.400 -5.680 10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.742 -7.381 10.809 1.00 0.00 H new ATOM 45 N GLN A 65 -11.736 -5.789 7.901 1.00 0.00 N ATOM 46 CA GLN A 65 -11.427 -5.914 6.481 1.00 0.00 C ATOM 47 C GLN A 65 -10.010 -6.419 6.246 1.00 0.00 C ATOM 48 O GLN A 65 -9.257 -6.672 7.186 1.00 0.00 O ATOM 49 CB GLN A 65 -11.612 -4.568 5.781 1.00 0.00 C ATOM 50 CG GLN A 65 -13.065 -4.148 5.629 1.00 0.00 C ATOM 51 CD GLN A 65 -13.871 -5.130 4.801 1.00 0.00 C ATOM 52 OE1 GLN A 65 -13.322 -5.867 3.983 1.00 0.00 O ATOM 53 NE2 GLN A 65 -15.184 -5.133 4.999 1.00 0.00 N ATOM 0 H GLN A 65 -12.063 -4.863 8.177 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.117 -6.647 6.064 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.079 -3.801 6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.153 -4.617 4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.517 -4.053 6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.108 -3.164 5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.597 -4.505 5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.779 -5.764 4.462 1.00 0.00 H new ATOM 62 N LEU A 66 -9.661 -6.562 4.971 1.00 0.00 N ATOM 63 CA LEU A 66 -8.339 -7.030 4.580 1.00 0.00 C ATOM 64 C LEU A 66 -7.690 -6.047 3.610 1.00 0.00 C ATOM 65 O LEU A 66 -8.274 -5.020 3.266 1.00 0.00 O ATOM 66 CB LEU A 66 -8.435 -8.413 3.933 1.00 0.00 C ATOM 67 CG LEU A 66 -9.154 -9.474 4.769 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.259 -10.781 3.996 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.431 -9.691 6.090 1.00 0.00 C ATOM 0 H LEU A 66 -10.281 -6.358 4.187 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.721 -7.100 5.475 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.951 -8.315 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.427 -8.766 3.716 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.162 -9.120 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.773 -11.524 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.820 -10.616 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.259 -11.141 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.956 -10.449 6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.411 -10.024 5.896 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.407 -8.756 6.650 1.00 0.00 H new ATOM 81 N CYS A 67 -6.481 -6.375 3.171 1.00 0.00 N ATOM 82 CA CYS A 67 -5.742 -5.530 2.240 1.00 0.00 C ATOM 83 C CYS A 67 -6.247 -5.727 0.809 1.00 0.00 C ATOM 84 O CYS A 67 -6.468 -6.858 0.372 1.00 0.00 O ATOM 85 CB CYS A 67 -4.252 -5.861 2.331 1.00 0.00 C ATOM 86 SG CYS A 67 -3.187 -4.862 1.269 1.00 0.00 S ATOM 0 H CYS A 67 -5.989 -7.225 3.446 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.898 -4.485 2.508 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.929 -5.737 3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.112 -6.912 2.077 1.00 0.00 H new ATOM 91 N CYS A 68 -6.427 -4.621 0.084 1.00 0.00 N ATOM 92 CA CYS A 68 -6.921 -4.673 -1.294 1.00 0.00 C ATOM 93 C CYS A 68 -5.782 -4.638 -2.312 1.00 0.00 C ATOM 94 O CYS A 68 -5.995 -4.334 -3.485 1.00 0.00 O ATOM 95 CB CYS A 68 -7.893 -3.518 -1.549 1.00 0.00 C ATOM 96 SG CYS A 68 -9.554 -3.816 -0.898 1.00 0.00 S ATOM 0 H CYS A 68 -6.238 -3.679 0.428 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.443 -5.621 -1.420 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.492 -2.610 -1.098 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.959 -3.339 -2.622 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.268 -2.737 -1.021 1.00 0.00 H new ATOM 102 N LEU A 69 -4.579 -4.961 -1.859 1.00 0.00 N ATOM 103 CA LEU A 69 -3.413 -4.988 -2.731 1.00 0.00 C ATOM 104 C LEU A 69 -3.117 -6.424 -3.132 1.00 0.00 C ATOM 105 O LEU A 69 -3.611 -7.361 -2.507 1.00 0.00 O ATOM 106 CB LEU A 69 -2.194 -4.376 -2.034 1.00 0.00 C ATOM 107 CG LEU A 69 -2.323 -2.894 -1.672 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.076 -2.414 -0.946 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.570 -2.059 -2.918 1.00 0.00 C ATOM 0 H LEU A 69 -4.384 -5.209 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.627 -4.395 -3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.996 -4.940 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.326 -4.501 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.177 -2.775 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.184 -1.359 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.942 -2.992 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.206 -2.547 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.659 -1.009 -2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.737 -2.182 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.492 -2.387 -3.399 1.00 0.00 H new ATOM 121 N ARG A 70 -2.313 -6.600 -4.170 1.00 0.00 N ATOM 122 CA ARG A 70 -1.976 -7.936 -4.636 1.00 0.00 C ATOM 123 C ARG A 70 -0.472 -8.099 -4.809 1.00 0.00 C ATOM 124 O ARG A 70 0.134 -7.472 -5.677 1.00 0.00 O ATOM 125 CB ARG A 70 -2.686 -8.230 -5.957 1.00 0.00 C ATOM 126 CG ARG A 70 -4.163 -7.872 -5.947 1.00 0.00 C ATOM 127 CD ARG A 70 -4.905 -8.533 -7.096 1.00 0.00 C ATOM 128 NE ARG A 70 -4.934 -9.986 -6.959 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.832 -10.765 -7.551 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.767 -10.234 -8.328 1.00 0.00 N ATOM 131 NH2 ARG A 70 -5.797 -12.078 -7.368 1.00 0.00 N ATOM 0 H ARG A 70 -1.885 -5.842 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.311 -8.647 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.192 -7.677 -6.756 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.579 -9.290 -6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.607 -8.181 -5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.276 -6.790 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.925 -8.151 -7.137 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.427 -8.266 -8.039 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.224 -10.428 -6.375 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.798 -9.225 -8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.455 -10.835 -8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.080 -12.491 -6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.487 -12.675 -7.823 1.00 0.00 H new ATOM 145 N GLU A 71 0.125 -8.940 -3.974 1.00 0.00 N ATOM 146 CA GLU A 71 1.555 -9.198 -4.052 1.00 0.00 C ATOM 147 C GLU A 71 1.809 -10.440 -4.896 1.00 0.00 C ATOM 148 O GLU A 71 1.845 -11.558 -4.381 1.00 0.00 O ATOM 149 CB GLU A 71 2.151 -9.375 -2.654 1.00 0.00 C ATOM 150 CG GLU A 71 3.669 -9.442 -2.648 1.00 0.00 C ATOM 151 CD GLU A 71 4.239 -9.637 -1.257 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.113 -8.711 -0.428 1.00 0.00 O ATOM 153 OE2 GLU A 71 4.813 -10.715 -0.997 1.00 0.00 O ATOM 0 H GLU A 71 -0.358 -9.453 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 71 2.039 -8.342 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.829 -8.547 -2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.753 -10.288 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.995 -10.262 -3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.071 -8.524 -3.076 1.00 0.00 H new ATOM 160 N ASP A 72 1.968 -10.234 -6.201 1.00 0.00 N ATOM 161 CA ASP A 72 2.199 -11.334 -7.131 1.00 0.00 C ATOM 162 C ASP A 72 0.994 -12.268 -7.174 1.00 0.00 C ATOM 163 O ASP A 72 1.136 -13.487 -7.103 1.00 0.00 O ATOM 164 CB ASP A 72 3.456 -12.114 -6.744 1.00 0.00 C ATOM 165 CG ASP A 72 4.702 -11.566 -7.412 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.188 -10.500 -6.981 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.189 -12.202 -8.371 1.00 0.00 O ATOM 0 H ASP A 72 1.941 -9.313 -6.638 1.00 0.00 H new ATOM 0 HA ASP A 72 2.345 -10.910 -8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.582 -12.081 -5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.330 -13.161 -7.019 1.00 0.00 H new ATOM 172 N GLY A 73 -0.195 -11.681 -7.290 1.00 0.00 N ATOM 173 CA GLY A 73 -1.412 -12.472 -7.344 1.00 0.00 C ATOM 174 C GLY A 73 -1.963 -12.806 -5.969 1.00 0.00 C ATOM 175 O GLY A 73 -3.106 -13.243 -5.845 1.00 0.00 O ATOM 0 H GLY A 73 -0.337 -10.673 -7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.168 -11.928 -7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.214 -13.397 -7.885 1.00 0.00 H new ATOM 179 N GLU A 74 -1.153 -12.601 -4.934 1.00 0.00 N ATOM 180 CA GLU A 74 -1.568 -12.888 -3.566 1.00 0.00 C ATOM 181 C GLU A 74 -2.254 -11.679 -2.941 1.00 0.00 C ATOM 182 O GLU A 74 -1.676 -10.593 -2.879 1.00 0.00 O ATOM 183 CB GLU A 74 -0.358 -13.295 -2.726 1.00 0.00 C ATOM 184 CG GLU A 74 0.136 -14.702 -3.013 1.00 0.00 C ATOM 185 CD GLU A 74 -0.744 -15.764 -2.386 1.00 0.00 C ATOM 186 OE1 GLU A 74 -0.799 -15.825 -1.139 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.380 -16.531 -3.138 1.00 0.00 O ATOM 0 H GLU A 74 -0.204 -12.237 -5.018 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.281 -13.712 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.453 -12.590 -2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.617 -13.218 -1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.175 -14.857 -4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.154 -14.810 -2.638 1.00 0.00 H new ATOM 194 N ARG A 75 -3.481 -11.871 -2.467 1.00 0.00 N ATOM 195 CA ARG A 75 -4.233 -10.779 -1.858 1.00 0.00 C ATOM 196 C ARG A 75 -3.744 -10.483 -0.443 1.00 0.00 C ATOM 197 O ARG A 75 -4.543 -10.459 0.488 1.00 0.00 O ATOM 198 CB ARG A 75 -5.717 -11.148 -1.799 1.00 0.00 C ATOM 199 CG ARG A 75 -6.487 -10.879 -3.082 1.00 0.00 C ATOM 200 CD ARG A 75 -7.294 -9.592 -2.988 1.00 0.00 C ATOM 201 NE ARG A 75 -8.034 -9.494 -1.731 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.669 -8.398 -1.335 1.00 0.00 C ATOM 203 NH1 ARG A 75 -8.731 -7.342 -2.134 1.00 0.00 N ATOM 204 NH2 ARG A 75 -9.260 -8.362 -0.149 1.00 0.00 N ATOM 0 H ARG A 75 -3.973 -12.764 -2.492 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.083 -9.890 -2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.805 -12.206 -1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.184 -10.591 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.791 -10.813 -3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.156 -11.715 -3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.624 -8.737 -3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.992 -9.541 -3.823 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.064 -10.314 -1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.291 -7.372 -3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.219 -6.500 -1.829 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.227 -9.178 0.462 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.747 -7.518 0.153 1.00 0.00 H new ATOM 218 N CYS A 76 -2.453 -10.170 -0.317 1.00 0.00 N ATOM 219 CA CYS A 76 -1.822 -9.853 0.971 1.00 0.00 C ATOM 220 C CYS A 76 -2.168 -10.855 2.082 1.00 0.00 C ATOM 221 O CYS A 76 -1.315 -11.630 2.512 1.00 0.00 O ATOM 222 CB CYS A 76 -2.210 -8.446 1.409 1.00 0.00 C ATOM 223 SG CYS A 76 -0.993 -7.652 2.481 1.00 0.00 S ATOM 0 H CYS A 76 -1.810 -10.128 -1.108 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.746 -9.918 0.812 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.358 -7.828 0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.166 -8.489 1.931 1.00 0.00 H new ATOM 228 N GLY A 77 -3.405 -10.815 2.564 1.00 0.00 N ATOM 229 CA GLY A 77 -3.821 -11.711 3.623 1.00 0.00 C ATOM 230 C GLY A 77 -3.597 -11.103 4.989 1.00 0.00 C ATOM 231 O GLY A 77 -3.392 -11.817 5.971 1.00 0.00 O ATOM 0 H GLY A 77 -4.129 -10.175 2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.877 -11.953 3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.268 -12.647 3.546 1.00 0.00 H new ATOM 235 N ARG A 78 -3.632 -9.776 5.048 1.00 0.00 N ATOM 236 CA ARG A 78 -3.424 -9.056 6.298 1.00 0.00 C ATOM 237 C ARG A 78 -4.532 -8.033 6.529 1.00 0.00 C ATOM 238 O ARG A 78 -5.010 -7.396 5.591 1.00 0.00 O ATOM 239 CB ARG A 78 -2.062 -8.359 6.278 1.00 0.00 C ATOM 240 CG ARG A 78 -1.782 -7.531 7.519 1.00 0.00 C ATOM 241 CD ARG A 78 -0.480 -6.758 7.387 1.00 0.00 C ATOM 242 NE ARG A 78 -0.256 -5.866 8.521 1.00 0.00 N ATOM 243 CZ ARG A 78 0.328 -6.241 9.657 1.00 0.00 C ATOM 244 NH1 ARG A 78 0.733 -7.494 9.822 1.00 0.00 N ATOM 245 NH2 ARG A 78 0.501 -5.360 10.633 1.00 0.00 N ATOM 0 H ARG A 78 -3.803 -9.176 4.241 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.448 -9.775 7.117 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.280 -9.111 6.170 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.007 -7.714 5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.604 -6.836 7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.733 -8.184 8.390 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.351 -7.459 7.307 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.496 -6.176 6.466 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.565 -4.898 8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.598 -8.176 9.076 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.180 -7.775 10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.187 -4.397 10.512 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.948 -5.645 11.504 1.00 0.00 H new ATOM 259 N ALA A 79 -4.933 -7.880 7.787 1.00 0.00 N ATOM 260 CA ALA A 79 -5.990 -6.942 8.149 1.00 0.00 C ATOM 261 C ALA A 79 -5.659 -5.521 7.704 1.00 0.00 C ATOM 262 O ALA A 79 -4.496 -5.115 7.704 1.00 0.00 O ATOM 263 CB ALA A 79 -6.229 -6.977 9.651 1.00 0.00 C ATOM 0 H ALA A 79 -4.541 -8.395 8.575 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.898 -7.250 7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.020 -6.273 9.910 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.526 -7.983 9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.312 -6.701 10.172 1.00 0.00 H new ATOM 269 N ALA A 80 -6.690 -4.771 7.322 1.00 0.00 N ATOM 270 CA ALA A 80 -6.511 -3.391 6.890 1.00 0.00 C ATOM 271 C ALA A 80 -5.901 -2.565 8.015 1.00 0.00 C ATOM 272 O ALA A 80 -5.899 -2.988 9.171 1.00 0.00 O ATOM 273 CB ALA A 80 -7.837 -2.796 6.445 1.00 0.00 C ATOM 0 H ALA A 80 -7.656 -5.097 7.304 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.830 -3.376 6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.684 -1.765 6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.236 -3.378 5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.543 -2.818 7.275 1.00 0.00 H new ATOM 279 N GLY A 81 -5.391 -1.384 7.681 1.00 0.00 N ATOM 280 CA GLY A 81 -4.769 -0.548 8.690 1.00 0.00 C ATOM 281 C GLY A 81 -5.431 0.806 8.863 1.00 0.00 C ATOM 282 O GLY A 81 -6.624 0.896 9.156 1.00 0.00 O ATOM 0 H GLY A 81 -5.397 -0.994 6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.787 -1.074 9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.722 -0.398 8.428 1.00 0.00 H new ATOM 286 N ASN A 82 -4.644 1.863 8.677 1.00 0.00 N ATOM 287 CA ASN A 82 -5.131 3.227 8.847 1.00 0.00 C ATOM 288 C ASN A 82 -4.981 4.049 7.567 1.00 0.00 C ATOM 289 O ASN A 82 -5.872 4.817 7.205 1.00 0.00 O ATOM 290 CB ASN A 82 -4.356 3.899 9.982 1.00 0.00 C ATOM 291 CG ASN A 82 -4.899 5.268 10.334 1.00 0.00 C ATOM 292 OD1 ASN A 82 -4.596 6.259 9.670 1.00 0.00 O ATOM 293 ND2 ASN A 82 -5.694 5.333 11.395 1.00 0.00 N ATOM 0 H ASN A 82 -3.662 1.799 8.407 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.193 3.180 9.087 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.390 3.262 10.866 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.308 3.991 9.695 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.080 6.230 11.689 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.919 4.486 11.916 1.00 0.00 H new ATOM 300 N ALA A 83 -3.848 3.890 6.892 1.00 0.00 N ATOM 301 CA ALA A 83 -3.577 4.633 5.666 1.00 0.00 C ATOM 302 C ALA A 83 -4.538 4.252 4.546 1.00 0.00 C ATOM 303 O ALA A 83 -5.270 3.268 4.642 1.00 0.00 O ATOM 304 CB ALA A 83 -2.139 4.408 5.223 1.00 0.00 C ATOM 0 H ALA A 83 -3.102 3.253 7.173 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.727 5.691 5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.949 4.967 4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.460 4.749 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.977 3.346 5.040 1.00 0.00 H new ATOM 310 N SER A 84 -4.526 5.051 3.481 1.00 0.00 N ATOM 311 CA SER A 84 -5.383 4.811 2.327 1.00 0.00 C ATOM 312 C SER A 84 -4.573 4.881 1.038 1.00 0.00 C ATOM 313 O SER A 84 -3.544 5.553 0.977 1.00 0.00 O ATOM 314 CB SER A 84 -6.516 5.840 2.280 1.00 0.00 C ATOM 315 OG SER A 84 -7.335 5.756 3.433 1.00 0.00 O ATOM 0 H SER A 84 -3.929 5.873 3.396 1.00 0.00 H new ATOM 0 HA SER A 84 -5.812 3.814 2.423 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.096 6.843 2.202 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.121 5.677 1.388 1.00 0.00 H new ATOM 0 HG SER A 84 -8.049 6.425 3.377 1.00 0.00 H new ATOM 321 N PHE A 85 -5.038 4.180 0.012 1.00 0.00 N ATOM 322 CA PHE A 85 -4.360 4.179 -1.278 1.00 0.00 C ATOM 323 C PHE A 85 -4.451 5.563 -1.912 1.00 0.00 C ATOM 324 O PHE A 85 -5.498 6.207 -1.865 1.00 0.00 O ATOM 325 CB PHE A 85 -4.985 3.129 -2.197 1.00 0.00 C ATOM 326 CG PHE A 85 -4.167 2.812 -3.417 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.942 2.171 -3.304 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.633 3.140 -4.679 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.200 1.865 -4.429 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.898 2.833 -5.806 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.681 2.195 -5.683 1.00 0.00 C ATOM 0 H PHE A 85 -5.880 3.606 0.048 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.309 3.930 -1.130 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -5.140 2.212 -1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.968 3.478 -2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.564 1.908 -2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.583 3.642 -4.783 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.246 1.369 -4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.275 3.092 -6.784 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.105 1.954 -6.564 1.00 0.00 H new ATOM 341 N SER A 86 -3.351 6.020 -2.502 1.00 0.00 N ATOM 342 CA SER A 86 -3.315 7.338 -3.128 1.00 0.00 C ATOM 343 C SER A 86 -2.452 7.330 -4.388 1.00 0.00 C ATOM 344 O SER A 86 -2.088 6.270 -4.895 1.00 0.00 O ATOM 345 CB SER A 86 -2.771 8.365 -2.134 1.00 0.00 C ATOM 346 OG SER A 86 -1.443 8.047 -1.755 1.00 0.00 O ATOM 0 H SER A 86 -2.476 5.500 -2.560 1.00 0.00 H new ATOM 0 HA SER A 86 -4.331 7.606 -3.416 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.798 9.359 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.408 8.395 -1.250 1.00 0.00 H new ATOM 0 HG SER A 86 -1.114 8.718 -1.120 1.00 0.00 H new ATOM 352 N LYS A 87 -2.175 8.521 -4.917 1.00 0.00 N ATOM 353 CA LYS A 87 -1.343 8.667 -6.108 1.00 0.00 C ATOM 354 C LYS A 87 0.145 8.544 -5.769 1.00 0.00 C ATOM 355 O LYS A 87 0.888 7.813 -6.425 1.00 0.00 O ATOM 356 CB LYS A 87 -1.616 10.011 -6.781 1.00 0.00 C ATOM 357 CG LYS A 87 -3.084 10.401 -6.783 1.00 0.00 C ATOM 358 CD LYS A 87 -3.362 11.501 -5.772 1.00 0.00 C ATOM 359 CE LYS A 87 -4.850 11.773 -5.631 1.00 0.00 C ATOM 360 NZ LYS A 87 -5.131 12.761 -4.554 1.00 0.00 N ATOM 0 H LYS A 87 -2.518 9.403 -4.536 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.600 7.861 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.043 10.786 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.257 9.973 -7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.372 10.738 -7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.695 9.528 -6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.951 11.217 -4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.853 12.414 -6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.243 12.145 -6.577 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.371 10.841 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.157 12.921 -4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.779 12.395 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.654 13.659 -4.774 1.00 0.00 H new ATOM 374 N ARG A 88 0.570 9.272 -4.737 1.00 0.00 N ATOM 375 CA ARG A 88 1.965 9.265 -4.298 1.00 0.00 C ATOM 376 C ARG A 88 2.453 7.836 -4.090 1.00 0.00 C ATOM 377 O ARG A 88 3.596 7.509 -4.410 1.00 0.00 O ATOM 378 CB ARG A 88 2.093 10.105 -3.013 1.00 0.00 C ATOM 379 CG ARG A 88 3.305 9.796 -2.136 1.00 0.00 C ATOM 380 CD ARG A 88 2.942 8.961 -0.908 1.00 0.00 C ATOM 381 NE ARG A 88 1.698 9.403 -0.256 1.00 0.00 N ATOM 382 CZ ARG A 88 1.601 9.902 0.983 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.669 10.051 1.763 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.409 10.248 1.450 1.00 0.00 N ATOM 0 H ARG A 88 -0.037 9.878 -4.186 1.00 0.00 H new ATOM 0 HA ARG A 88 2.597 9.709 -5.067 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.129 11.158 -3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.191 9.963 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.050 9.263 -2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.763 10.731 -1.813 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.839 7.917 -1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.759 9.010 -0.188 1.00 0.00 H new ATOM 0 HE ARG A 88 0.836 9.322 -0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.592 9.782 1.421 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.565 10.434 2.703 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.420 10.133 0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.321 10.629 2.392 1.00 0.00 H new ATOM 398 N ILE A 89 1.583 6.985 -3.563 1.00 0.00 N ATOM 399 CA ILE A 89 1.934 5.592 -3.344 1.00 0.00 C ATOM 400 C ILE A 89 2.090 4.881 -4.684 1.00 0.00 C ATOM 401 O ILE A 89 2.947 4.014 -4.843 1.00 0.00 O ATOM 402 CB ILE A 89 0.880 4.874 -2.481 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.762 5.567 -1.123 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.243 3.407 -2.306 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.208 4.892 -0.179 1.00 0.00 C ATOM 0 H ILE A 89 0.635 7.235 -3.281 1.00 0.00 H new ATOM 0 HA ILE A 89 2.881 5.562 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.085 4.925 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.746 5.601 -0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.447 6.599 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.487 2.916 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.289 2.925 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.214 3.328 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.239 5.439 0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.202 4.881 -0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.117 3.868 0.006 1.00 0.00 H new ATOM 417 N GLN A 90 1.257 5.267 -5.649 1.00 0.00 N ATOM 418 CA GLN A 90 1.315 4.695 -6.991 1.00 0.00 C ATOM 419 C GLN A 90 2.639 5.061 -7.641 1.00 0.00 C ATOM 420 O GLN A 90 3.309 4.228 -8.250 1.00 0.00 O ATOM 421 CB GLN A 90 0.149 5.221 -7.833 1.00 0.00 C ATOM 422 CG GLN A 90 0.146 4.729 -9.277 1.00 0.00 C ATOM 423 CD GLN A 90 1.184 5.402 -10.164 1.00 0.00 C ATOM 424 OE1 GLN A 90 1.783 4.757 -11.024 1.00 0.00 O ATOM 425 NE2 GLN A 90 1.381 6.708 -9.994 1.00 0.00 N ATOM 0 H GLN A 90 0.533 5.975 -5.525 1.00 0.00 H new ATOM 0 HA GLN A 90 1.237 3.610 -6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.788 4.927 -7.359 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.178 6.311 -7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.321 3.653 -9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.843 4.894 -9.704 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.867 7.211 -9.271 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.046 7.205 -10.587 1.00 0.00 H new ATOM 434 N LYS A 91 3.003 6.326 -7.492 1.00 0.00 N ATOM 435 CA LYS A 91 4.241 6.846 -8.026 1.00 0.00 C ATOM 436 C LYS A 91 5.431 6.110 -7.414 1.00 0.00 C ATOM 437 O LYS A 91 6.391 5.768 -8.106 1.00 0.00 O ATOM 438 CB LYS A 91 4.301 8.340 -7.725 1.00 0.00 C ATOM 439 CG LYS A 91 3.987 9.218 -8.924 1.00 0.00 C ATOM 440 CD LYS A 91 5.250 9.695 -9.618 1.00 0.00 C ATOM 441 CE LYS A 91 5.131 11.147 -10.051 1.00 0.00 C ATOM 442 NZ LYS A 91 4.582 12.006 -8.965 1.00 0.00 N ATOM 0 H LYS A 91 2.442 7.018 -6.995 1.00 0.00 H new ATOM 0 HA LYS A 91 4.284 6.692 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.598 8.569 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.296 8.587 -7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.372 8.662 -9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.402 10.079 -8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.101 9.583 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.447 9.069 -10.488 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.112 11.519 -10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.486 11.213 -10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.001 12.956 -9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.549 12.076 -9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.811 11.587 -8.041 1.00 0.00 H new ATOM 456 N SER A 92 5.351 5.861 -6.109 1.00 0.00 N ATOM 457 CA SER A 92 6.404 5.147 -5.398 1.00 0.00 C ATOM 458 C SER A 92 6.528 3.728 -5.927 1.00 0.00 C ATOM 459 O SER A 92 7.634 3.239 -6.164 1.00 0.00 O ATOM 460 CB SER A 92 6.113 5.134 -3.895 1.00 0.00 C ATOM 461 OG SER A 92 7.028 4.302 -3.201 1.00 0.00 O ATOM 0 H SER A 92 4.566 6.144 -5.523 1.00 0.00 H new ATOM 0 HA SER A 92 7.350 5.662 -5.564 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.171 6.149 -3.502 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.096 4.783 -3.722 1.00 0.00 H new ATOM 0 HG SER A 92 6.832 4.329 -2.241 1.00 0.00 H new ATOM 467 N ILE A 93 5.392 3.069 -6.109 1.00 0.00 N ATOM 468 CA ILE A 93 5.383 1.714 -6.638 1.00 0.00 C ATOM 469 C ILE A 93 6.088 1.686 -7.991 1.00 0.00 C ATOM 470 O ILE A 93 6.972 0.863 -8.227 1.00 0.00 O ATOM 471 CB ILE A 93 3.937 1.178 -6.787 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.292 0.996 -5.412 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.913 -0.139 -7.556 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.816 0.668 -5.478 1.00 0.00 C ATOM 0 H ILE A 93 4.469 3.449 -5.899 1.00 0.00 H new ATOM 0 HA ILE A 93 5.911 1.070 -5.935 1.00 0.00 H new ATOM 0 HB ILE A 93 3.365 1.913 -7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.810 0.199 -4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.428 1.909 -4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.885 -0.490 -7.644 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.331 0.013 -8.551 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.506 -0.882 -7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.423 0.552 -4.468 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.286 1.476 -5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.674 -0.261 -6.031 1.00 0.00 H new ATOM 486 N SER A 94 5.691 2.601 -8.871 1.00 0.00 N ATOM 487 CA SER A 94 6.274 2.693 -10.204 1.00 0.00 C ATOM 488 C SER A 94 7.792 2.819 -10.134 1.00 0.00 C ATOM 489 O SER A 94 8.516 2.095 -10.819 1.00 0.00 O ATOM 490 CB SER A 94 5.688 3.888 -10.956 1.00 0.00 C ATOM 491 OG SER A 94 6.345 4.083 -12.196 1.00 0.00 O ATOM 0 H SER A 94 4.965 3.292 -8.683 1.00 0.00 H new ATOM 0 HA SER A 94 6.031 1.776 -10.740 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.623 3.728 -11.126 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.782 4.787 -10.346 1.00 0.00 H new ATOM 0 HG SER A 94 5.951 4.852 -12.658 1.00 0.00 H new ATOM 497 N GLN A 95 8.274 3.746 -9.306 1.00 0.00 N ATOM 498 CA GLN A 95 9.710 3.957 -9.147 1.00 0.00 C ATOM 499 C GLN A 95 10.411 2.628 -8.889 1.00 0.00 C ATOM 500 O GLN A 95 11.560 2.426 -9.281 1.00 0.00 O ATOM 501 CB GLN A 95 9.980 4.927 -7.997 1.00 0.00 C ATOM 502 CG GLN A 95 10.870 6.101 -8.377 1.00 0.00 C ATOM 503 CD GLN A 95 10.385 6.828 -9.617 1.00 0.00 C ATOM 504 OE1 GLN A 95 9.214 6.739 -9.985 1.00 0.00 O ATOM 505 NE2 GLN A 95 11.283 7.568 -10.259 1.00 0.00 N ATOM 0 H GLN A 95 7.692 4.360 -8.737 1.00 0.00 H new ATOM 0 HA GLN A 95 10.103 4.389 -10.067 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.029 5.310 -7.627 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.446 4.381 -7.176 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.914 6.802 -7.544 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.885 5.742 -8.545 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.244 7.613 -9.919 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.012 8.091 -11.092 1.00 0.00 H new ATOM 514 N LYS A 96 9.699 1.725 -8.224 1.00 0.00 N ATOM 515 CA LYS A 96 10.223 0.402 -7.924 1.00 0.00 C ATOM 516 C LYS A 96 9.869 -0.566 -9.044 1.00 0.00 C ATOM 517 O LYS A 96 10.652 -1.451 -9.390 1.00 0.00 O ATOM 518 CB LYS A 96 9.645 -0.114 -6.604 1.00 0.00 C ATOM 519 CG LYS A 96 10.207 0.576 -5.374 1.00 0.00 C ATOM 520 CD LYS A 96 11.006 -0.389 -4.513 1.00 0.00 C ATOM 521 CE LYS A 96 10.462 -0.465 -3.095 1.00 0.00 C ATOM 522 NZ LYS A 96 8.988 -0.681 -3.070 1.00 0.00 N ATOM 0 H LYS A 96 8.752 1.889 -7.882 1.00 0.00 H new ATOM 0 HA LYS A 96 11.307 0.473 -7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.563 0.015 -6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.838 -1.184 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.844 1.406 -5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.391 0.999 -4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.985 -1.381 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.049 -0.073 -4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.956 -1.277 -2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.702 0.457 -2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.737 -1.270 -2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.504 0.237 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.693 -1.161 -3.944 1.00 0.00 H new ATOM 536 N LYS A 97 8.682 -0.377 -9.615 1.00 0.00 N ATOM 537 CA LYS A 97 8.201 -1.237 -10.686 1.00 0.00 C ATOM 538 C LYS A 97 8.040 -2.659 -10.165 1.00 0.00 C ATOM 539 O LYS A 97 8.652 -3.597 -10.675 1.00 0.00 O ATOM 540 CB LYS A 97 9.169 -1.205 -11.872 1.00 0.00 C ATOM 541 CG LYS A 97 8.495 -1.410 -13.221 1.00 0.00 C ATOM 542 CD LYS A 97 7.548 -0.266 -13.555 1.00 0.00 C ATOM 543 CE LYS A 97 7.657 0.141 -15.018 1.00 0.00 C ATOM 544 NZ LYS A 97 8.593 1.285 -15.210 1.00 0.00 N ATOM 0 H LYS A 97 8.036 0.367 -9.351 1.00 0.00 H new ATOM 0 HA LYS A 97 7.232 -0.873 -11.029 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.690 -0.247 -11.878 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.925 -1.978 -11.733 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.254 -1.493 -13.999 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.943 -2.350 -13.213 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.523 -0.565 -13.335 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.773 0.591 -12.920 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.999 -0.710 -15.607 1.00 0.00 H new ATOM 0 HE3 LYS A 97 6.670 0.413 -15.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.638 1.531 -16.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.254 2.106 -14.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.541 1.018 -14.876 1.00 0.00 H new ATOM 558 N VAL A 98 7.215 -2.801 -9.132 1.00 0.00 N ATOM 559 CA VAL A 98 6.967 -4.096 -8.514 1.00 0.00 C ATOM 560 C VAL A 98 5.596 -4.641 -8.898 1.00 0.00 C ATOM 561 O VAL A 98 4.785 -3.936 -9.498 1.00 0.00 O ATOM 562 CB VAL A 98 7.059 -4.000 -6.979 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.492 -3.732 -6.546 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.128 -2.914 -6.457 1.00 0.00 C ATOM 0 H VAL A 98 6.705 -2.028 -8.704 1.00 0.00 H new ATOM 0 HA VAL A 98 7.735 -4.777 -8.881 1.00 0.00 H new ATOM 0 HB VAL A 98 6.746 -4.954 -6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.538 -3.667 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.133 -4.544 -6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.834 -2.792 -6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.205 -2.860 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.410 -1.954 -6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.101 -3.150 -6.736 1.00 0.00 H new ATOM 574 N LYS A 99 5.337 -5.896 -8.539 1.00 0.00 N ATOM 575 CA LYS A 99 4.061 -6.530 -8.854 1.00 0.00 C ATOM 576 C LYS A 99 3.003 -6.204 -7.805 1.00 0.00 C ATOM 577 O LYS A 99 2.329 -7.096 -7.289 1.00 0.00 O ATOM 578 CB LYS A 99 4.231 -8.045 -8.973 1.00 0.00 C ATOM 579 CG LYS A 99 5.172 -8.463 -10.090 1.00 0.00 C ATOM 580 CD LYS A 99 4.864 -9.867 -10.581 1.00 0.00 C ATOM 581 CE LYS A 99 5.837 -10.303 -11.665 1.00 0.00 C ATOM 582 NZ LYS A 99 5.898 -9.322 -12.782 1.00 0.00 N ATOM 0 H LYS A 99 5.991 -6.492 -8.032 1.00 0.00 H new ATOM 0 HA LYS A 99 3.723 -6.133 -9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.606 -8.436 -8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.255 -8.500 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.089 -7.760 -10.919 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.202 -8.418 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.912 -10.565 -9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.846 -9.903 -10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.831 -10.424 -11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.537 -11.276 -12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.377 -9.754 -13.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.933 -9.045 -13.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.426 -8.480 -12.476 1.00 0.00 H new ATOM 596 N ILE A 100 2.860 -4.920 -7.498 1.00 0.00 N ATOM 597 CA ILE A 100 1.878 -4.468 -6.525 1.00 0.00 C ATOM 598 C ILE A 100 1.034 -3.350 -7.121 1.00 0.00 C ATOM 599 O ILE A 100 1.521 -2.243 -7.349 1.00 0.00 O ATOM 600 CB ILE A 100 2.546 -3.973 -5.222 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.307 -5.116 -4.548 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.509 -3.392 -4.268 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.969 -4.716 -3.248 1.00 0.00 C ATOM 0 H ILE A 100 3.416 -4.172 -7.912 1.00 0.00 H new ATOM 0 HA ILE A 100 1.245 -5.320 -6.276 1.00 0.00 H new ATOM 0 HB ILE A 100 3.253 -3.184 -5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.617 -5.938 -4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.067 -5.490 -5.234 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.003 -3.050 -3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.006 -2.551 -4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.776 -4.158 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.490 -5.575 -2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.683 -3.914 -3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.211 -4.370 -2.545 1.00 0.00 H new ATOM 615 N GLU A 101 -0.228 -3.651 -7.384 1.00 0.00 N ATOM 616 CA GLU A 101 -1.141 -2.672 -7.951 1.00 0.00 C ATOM 617 C GLU A 101 -2.547 -2.888 -7.416 1.00 0.00 C ATOM 618 O GLU A 101 -2.925 -4.009 -7.073 1.00 0.00 O ATOM 619 CB GLU A 101 -1.145 -2.760 -9.477 1.00 0.00 C ATOM 620 CG GLU A 101 -1.781 -4.031 -10.011 1.00 0.00 C ATOM 621 CD GLU A 101 -2.793 -3.756 -11.106 1.00 0.00 C ATOM 622 OE1 GLU A 101 -2.371 -3.426 -12.234 1.00 0.00 O ATOM 623 OE2 GLU A 101 -4.007 -3.872 -10.835 1.00 0.00 O ATOM 0 H GLU A 101 -0.643 -4.567 -7.213 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.800 -1.679 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.678 -1.899 -9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.119 -2.697 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.002 -4.689 -10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.270 -4.561 -9.193 1.00 0.00 H new ATOM 630 N LEU A 102 -3.319 -1.816 -7.347 1.00 0.00 N ATOM 631 CA LEU A 102 -4.677 -1.903 -6.843 1.00 0.00 C ATOM 632 C LEU A 102 -5.538 -2.820 -7.701 1.00 0.00 C ATOM 633 O LEU A 102 -5.433 -2.830 -8.927 1.00 0.00 O ATOM 634 CB LEU A 102 -5.326 -0.524 -6.778 1.00 0.00 C ATOM 635 CG LEU A 102 -6.802 -0.563 -6.391 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.970 -1.029 -4.956 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.453 0.784 -6.581 1.00 0.00 C ATOM 0 H LEU A 102 -3.029 -0.881 -7.632 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.613 -2.321 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.786 0.089 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.226 -0.038 -7.748 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.297 -1.276 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.030 -1.049 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.552 -2.030 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.449 -0.343 -4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.504 0.724 -6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.950 1.522 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.376 1.081 -7.627 1.00 0.00 H new ATOM 649 N ASP A 103 -6.398 -3.581 -7.038 1.00 0.00 N ATOM 650 CA ASP A 103 -7.313 -4.477 -7.723 1.00 0.00 C ATOM 651 C ASP A 103 -8.622 -3.738 -7.957 1.00 0.00 C ATOM 652 O ASP A 103 -9.059 -2.968 -7.103 1.00 0.00 O ATOM 653 CB ASP A 103 -7.558 -5.740 -6.895 1.00 0.00 C ATOM 654 CG ASP A 103 -8.213 -6.848 -7.702 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.731 -6.558 -8.801 1.00 0.00 O ATOM 656 OD2 ASP A 103 -8.203 -8.009 -7.236 1.00 0.00 O ATOM 0 H ASP A 103 -6.479 -3.594 -6.021 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.880 -4.784 -8.675 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.609 -6.098 -6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.190 -5.494 -6.042 1.00 0.00 H new ATOM 661 N LYS A 104 -9.240 -3.956 -9.107 1.00 0.00 N ATOM 662 CA LYS A 104 -10.489 -3.275 -9.429 1.00 0.00 C ATOM 663 C LYS A 104 -11.704 -3.985 -8.833 1.00 0.00 C ATOM 664 O LYS A 104 -12.801 -3.428 -8.811 1.00 0.00 O ATOM 665 CB LYS A 104 -10.639 -3.141 -10.943 1.00 0.00 C ATOM 666 CG LYS A 104 -9.825 -1.999 -11.529 1.00 0.00 C ATOM 667 CD LYS A 104 -10.694 -0.787 -11.818 1.00 0.00 C ATOM 668 CE LYS A 104 -11.495 -0.972 -13.097 1.00 0.00 C ATOM 669 NZ LYS A 104 -10.620 -0.971 -14.303 1.00 0.00 N ATOM 0 H LYS A 104 -8.903 -4.593 -9.829 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.446 -2.282 -8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.334 -4.075 -11.415 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.691 -2.990 -11.185 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.032 -1.722 -10.834 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.342 -2.329 -12.449 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.373 -0.617 -10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.067 0.100 -11.905 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.046 -1.911 -13.048 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.233 -0.174 -13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.194 -0.776 -15.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.891 -0.236 -14.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.163 -1.900 -14.401 1.00 0.00 H new ATOM 683 N SER A 105 -11.512 -5.208 -8.348 1.00 0.00 N ATOM 684 CA SER A 105 -12.611 -5.963 -7.754 1.00 0.00 C ATOM 685 C SER A 105 -12.998 -5.390 -6.389 1.00 0.00 C ATOM 686 O SER A 105 -14.076 -5.681 -5.870 1.00 0.00 O ATOM 687 CB SER A 105 -12.230 -7.438 -7.602 1.00 0.00 C ATOM 688 OG SER A 105 -11.618 -7.681 -6.348 1.00 0.00 O ATOM 0 H SER A 105 -10.615 -5.694 -8.354 1.00 0.00 H new ATOM 0 HA SER A 105 -13.468 -5.881 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.120 -8.059 -7.702 1.00 0.00 H new ATOM 0 HB3 SER A 105 -11.550 -7.725 -8.404 1.00 0.00 H new ATOM 0 HG SER A 105 -11.386 -8.630 -6.276 1.00 0.00 H new ATOM 694 N ALA A 106 -12.114 -4.575 -5.813 1.00 0.00 N ATOM 695 CA ALA A 106 -12.364 -3.974 -4.507 1.00 0.00 C ATOM 696 C ALA A 106 -13.233 -2.726 -4.616 1.00 0.00 C ATOM 697 O ALA A 106 -13.561 -2.274 -5.714 1.00 0.00 O ATOM 698 CB ALA A 106 -11.046 -3.641 -3.824 1.00 0.00 C ATOM 0 H ALA A 106 -11.220 -4.317 -6.231 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.908 -4.702 -3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.244 -3.193 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.464 -4.553 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.485 -2.938 -4.439 1.00 0.00 H new ATOM 704 N ARG A 107 -13.593 -2.169 -3.463 1.00 0.00 N ATOM 705 CA ARG A 107 -14.433 -0.978 -3.412 1.00 0.00 C ATOM 706 C ARG A 107 -13.762 0.132 -2.614 1.00 0.00 C ATOM 707 O ARG A 107 -13.368 1.159 -3.166 1.00 0.00 O ATOM 708 CB ARG A 107 -15.782 -1.326 -2.788 1.00 0.00 C ATOM 709 CG ARG A 107 -16.515 -2.420 -3.537 1.00 0.00 C ATOM 710 CD ARG A 107 -17.494 -3.158 -2.646 1.00 0.00 C ATOM 711 NE ARG A 107 -18.133 -4.263 -3.358 1.00 0.00 N ATOM 712 CZ ARG A 107 -19.392 -4.649 -3.169 1.00 0.00 C ATOM 713 NH1 ARG A 107 -20.148 -4.070 -2.242 1.00 0.00 N ATOM 714 NH2 ARG A 107 -19.896 -5.630 -3.902 1.00 0.00 N ATOM 0 H ARG A 107 -13.314 -2.526 -2.549 1.00 0.00 H new ATOM 0 HA ARG A 107 -14.584 -0.620 -4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.629 -1.640 -1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.405 -0.432 -2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.050 -1.986 -4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -15.793 -3.127 -3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -16.973 -3.541 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.255 -2.465 -2.287 1.00 0.00 H new ATOM 0 HE ARG A 107 -17.577 -4.772 -4.045 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -19.764 -3.321 -1.666 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -21.112 -4.375 -2.107 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -19.319 -6.087 -4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -20.861 -5.929 -3.760 1.00 0.00 H new ATOM 728 N HIS A 108 -13.634 -0.084 -1.311 1.00 0.00 N ATOM 729 CA HIS A 108 -13.017 0.896 -0.429 1.00 0.00 C ATOM 730 C HIS A 108 -11.552 1.121 -0.800 1.00 0.00 C ATOM 731 O HIS A 108 -11.072 0.610 -1.812 1.00 0.00 O ATOM 732 CB HIS A 108 -13.128 0.432 1.028 1.00 0.00 C ATOM 733 CG HIS A 108 -12.200 -0.692 1.375 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.887 -0.487 1.721 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.393 -2.032 1.420 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.304 -1.647 1.962 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.198 -2.603 1.788 1.00 0.00 N ATOM 0 H HIS A 108 -13.951 -0.932 -0.841 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.545 1.842 -0.545 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.923 1.277 1.686 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.153 0.118 1.223 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.314 -2.554 1.207 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.273 -1.789 2.252 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.029 -3.602 1.907 1.00 0.00 H new ATOM 746 N LEU A 109 -10.852 1.893 0.025 1.00 0.00 N ATOM 747 CA LEU A 109 -9.438 2.177 -0.197 1.00 0.00 C ATOM 748 C LEU A 109 -8.701 2.271 1.134 1.00 0.00 C ATOM 749 O LEU A 109 -8.441 3.361 1.643 1.00 0.00 O ATOM 750 CB LEU A 109 -9.258 3.470 -0.994 1.00 0.00 C ATOM 751 CG LEU A 109 -9.672 3.388 -2.465 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.398 4.708 -3.169 1.00 0.00 C ATOM 753 CD2 LEU A 109 -8.941 2.251 -3.164 1.00 0.00 C ATOM 0 H LEU A 109 -11.243 2.335 0.857 1.00 0.00 H new ATOM 0 HA LEU A 109 -9.015 1.357 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.837 4.259 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.210 3.767 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.742 3.188 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.698 4.632 -4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.965 5.503 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.334 4.936 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.249 2.209 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.866 2.421 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.184 1.307 -2.676 1.00 0.00 H new ATOM 765 N TYR A 110 -8.377 1.111 1.690 1.00 0.00 N ATOM 766 CA TYR A 110 -7.679 1.025 2.964 1.00 0.00 C ATOM 767 C TYR A 110 -6.687 -0.126 2.933 1.00 0.00 C ATOM 768 O TYR A 110 -7.069 -1.292 3.041 1.00 0.00 O ATOM 769 CB TYR A 110 -8.669 0.819 4.114 1.00 0.00 C ATOM 770 CG TYR A 110 -9.423 2.068 4.514 1.00 0.00 C ATOM 771 CD1 TYR A 110 -8.862 2.992 5.385 1.00 0.00 C ATOM 772 CD2 TYR A 110 -10.700 2.317 4.027 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.551 4.131 5.758 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.395 3.453 4.397 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.817 4.356 5.262 1.00 0.00 C ATOM 776 OH TYR A 110 -11.507 5.488 5.632 1.00 0.00 O ATOM 0 H TYR A 110 -8.590 0.206 1.271 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.146 1.962 3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.387 0.051 3.827 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.128 0.441 4.981 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.871 2.818 5.778 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.157 1.612 3.349 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.099 4.841 6.435 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.387 3.632 4.010 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.383 5.495 5.193 1.00 0.00 H new ATOM 786 N ILE A 111 -5.417 0.206 2.772 1.00 0.00 N ATOM 787 CA ILE A 111 -4.371 -0.800 2.723 1.00 0.00 C ATOM 788 C ILE A 111 -3.928 -1.194 4.125 1.00 0.00 C ATOM 789 O ILE A 111 -4.310 -0.563 5.109 1.00 0.00 O ATOM 790 CB ILE A 111 -3.148 -0.301 1.932 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.606 0.990 2.548 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.517 -0.086 0.471 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.345 1.495 1.882 1.00 0.00 C ATOM 0 H ILE A 111 -5.086 1.166 2.673 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.790 -1.670 2.217 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.366 -1.059 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.373 1.762 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.406 0.822 3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.643 0.267 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.860 -1.027 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.312 0.656 0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.018 2.413 2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.562 0.741 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.545 1.696 0.829 1.00 0.00 H new ATOM 805 N CYS A 112 -3.126 -2.246 4.208 1.00 0.00 N ATOM 806 CA CYS A 112 -2.624 -2.721 5.487 1.00 0.00 C ATOM 807 C CYS A 112 -1.441 -1.874 5.941 1.00 0.00 C ATOM 808 O CYS A 112 -0.955 -1.023 5.197 1.00 0.00 O ATOM 809 CB CYS A 112 -2.206 -4.188 5.377 1.00 0.00 C ATOM 810 SG CYS A 112 -1.067 -4.526 4.016 1.00 0.00 S ATOM 0 H CYS A 112 -2.809 -2.787 3.403 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.420 -2.634 6.226 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.738 -4.493 6.313 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.098 -4.801 5.252 1.00 0.00 H new ATOM 815 N ASP A 113 -0.990 -2.102 7.168 1.00 0.00 N ATOM 816 CA ASP A 113 0.143 -1.362 7.710 1.00 0.00 C ATOM 817 C ASP A 113 1.442 -1.834 7.067 1.00 0.00 C ATOM 818 O ASP A 113 2.346 -1.041 6.806 1.00 0.00 O ATOM 819 CB ASP A 113 0.213 -1.537 9.228 1.00 0.00 C ATOM 820 CG ASP A 113 -1.082 -1.153 9.917 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.620 -0.070 9.605 1.00 0.00 O ATOM 822 OD2 ASP A 113 -1.559 -1.936 10.765 1.00 0.00 O ATOM 0 H ASP A 113 -1.390 -2.791 7.805 1.00 0.00 H new ATOM 0 HA ASP A 113 0.006 -0.304 7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.450 -2.575 9.460 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.026 -0.928 9.624 1.00 0.00 H new ATOM 827 N TYR A 114 1.516 -3.135 6.810 1.00 0.00 N ATOM 828 CA TYR A 114 2.693 -3.742 6.197 1.00 0.00 C ATOM 829 C TYR A 114 3.081 -3.027 4.904 1.00 0.00 C ATOM 830 O TYR A 114 4.202 -2.537 4.768 1.00 0.00 O ATOM 831 CB TYR A 114 2.421 -5.223 5.922 1.00 0.00 C ATOM 832 CG TYR A 114 3.501 -5.912 5.116 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.709 -6.274 5.698 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.304 -6.212 3.774 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.690 -6.914 4.965 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.281 -6.849 3.033 1.00 0.00 C ATOM 837 CZ TYR A 114 5.472 -7.199 3.634 1.00 0.00 C ATOM 838 OH TYR A 114 6.446 -7.837 2.900 1.00 0.00 O ATOM 0 H TYR A 114 0.767 -3.796 7.019 1.00 0.00 H new ATOM 0 HA TYR A 114 3.529 -3.646 6.890 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.306 -5.743 6.873 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.473 -5.315 5.392 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.884 -6.052 6.740 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.371 -5.943 3.302 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.624 -7.190 5.433 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.113 -7.071 1.990 1.00 0.00 H new ATOM 0 HH TYR A 114 6.132 -7.964 1.980 1.00 0.00 H new ATOM 848 N HIS A 115 2.149 -2.968 3.958 1.00 0.00 N ATOM 849 CA HIS A 115 2.405 -2.322 2.673 1.00 0.00 C ATOM 850 C HIS A 115 2.601 -0.815 2.829 1.00 0.00 C ATOM 851 O HIS A 115 3.439 -0.222 2.153 1.00 0.00 O ATOM 852 CB HIS A 115 1.269 -2.613 1.691 1.00 0.00 C ATOM 853 CG HIS A 115 1.405 -3.937 1.003 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.307 -4.686 0.658 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.527 -4.594 0.616 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.779 -5.772 0.072 1.00 0.00 C ATOM 857 NE2 HIS A 115 2.120 -5.761 0.024 1.00 0.00 N ATOM 0 H HIS A 115 1.212 -3.358 4.055 1.00 0.00 H new ATOM 0 HA HIS A 115 3.331 -2.737 2.275 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.320 -2.585 2.226 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.235 -1.823 0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.546 -4.261 0.749 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.163 -6.568 -0.319 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.720 -6.482 -0.376 1.00 0.00 H new ATOM 865 N LYS A 116 1.828 -0.199 3.717 1.00 0.00 N ATOM 866 CA LYS A 116 1.940 1.238 3.950 1.00 0.00 C ATOM 867 C LYS A 116 3.373 1.611 4.312 1.00 0.00 C ATOM 868 O LYS A 116 3.959 2.522 3.727 1.00 0.00 O ATOM 869 CB LYS A 116 1.001 1.670 5.077 1.00 0.00 C ATOM 870 CG LYS A 116 1.079 3.154 5.403 1.00 0.00 C ATOM 871 CD LYS A 116 0.781 3.412 6.873 1.00 0.00 C ATOM 872 CE LYS A 116 2.055 3.535 7.699 1.00 0.00 C ATOM 873 NZ LYS A 116 3.132 2.628 7.220 1.00 0.00 N ATOM 0 H LYS A 116 1.121 -0.668 4.284 1.00 0.00 H new ATOM 0 HA LYS A 116 1.659 1.753 3.031 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.023 1.421 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.237 1.097 5.974 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.072 3.531 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.369 3.703 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.196 4.327 6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.170 2.600 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.409 4.565 7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.832 3.310 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.881 2.569 7.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 2.738 1.680 7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.530 3.000 6.334 1.00 0.00 H new ATOM 887 N ASN A 117 3.927 0.894 5.283 1.00 0.00 N ATOM 888 CA ASN A 117 5.290 1.135 5.745 1.00 0.00 C ATOM 889 C ASN A 117 6.305 0.712 4.686 1.00 0.00 C ATOM 890 O ASN A 117 7.310 1.387 4.469 1.00 0.00 O ATOM 891 CB ASN A 117 5.542 0.351 7.038 1.00 0.00 C ATOM 892 CG ASN A 117 6.582 0.987 7.947 1.00 0.00 C ATOM 893 OD1 ASN A 117 6.546 0.798 9.163 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.517 1.743 7.377 1.00 0.00 N ATOM 0 H ASN A 117 3.449 0.135 5.769 1.00 0.00 H new ATOM 0 HA ASN A 117 5.407 2.202 5.932 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.603 0.258 7.584 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.864 -0.659 6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.234 2.187 7.951 1.00 0.00 H new ATOM 0 HD22 ASN A 117 7.517 1.878 6.366 1.00 0.00 H new ATOM 901 N LEU A 118 6.030 -0.408 4.034 1.00 0.00 N ATOM 902 CA LEU A 118 6.919 -0.945 3.012 1.00 0.00 C ATOM 903 C LEU A 118 7.094 0.020 1.839 1.00 0.00 C ATOM 904 O LEU A 118 8.193 0.162 1.304 1.00 0.00 O ATOM 905 CB LEU A 118 6.369 -2.285 2.513 1.00 0.00 C ATOM 906 CG LEU A 118 7.327 -3.119 1.661 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.957 -4.592 1.736 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.310 -2.644 0.215 1.00 0.00 C ATOM 0 H LEU A 118 5.192 -0.967 4.196 1.00 0.00 H new ATOM 0 HA LEU A 118 7.901 -1.089 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.070 -2.878 3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.468 -2.093 1.931 1.00 0.00 H new ATOM 0 HG LEU A 118 8.336 -2.992 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.648 -5.172 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 118 7.016 -4.930 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.941 -4.731 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.998 -3.250 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.302 -2.742 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.618 -1.599 0.172 1.00 0.00 H new ATOM 920 N ILE A 119 6.017 0.695 1.458 1.00 0.00 N ATOM 921 CA ILE A 119 6.049 1.615 0.321 1.00 0.00 C ATOM 922 C ILE A 119 6.400 3.049 0.716 1.00 0.00 C ATOM 923 O ILE A 119 7.222 3.693 0.066 1.00 0.00 O ATOM 924 CB ILE A 119 4.689 1.609 -0.403 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.360 0.189 -0.853 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.696 2.566 -1.588 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.934 0.012 -1.327 1.00 0.00 C ATOM 0 H ILE A 119 5.109 0.625 1.918 1.00 0.00 H new ATOM 0 HA ILE A 119 6.838 1.258 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 119 3.919 1.951 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.038 -0.093 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.545 -0.496 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.724 2.542 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 119 4.900 3.578 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.469 2.264 -2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.777 -1.023 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.248 0.261 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.748 0.671 -2.175 1.00 0.00 H new ATOM 939 N GLN A 120 5.778 3.540 1.776 1.00 0.00 N ATOM 940 CA GLN A 120 6.001 4.910 2.237 1.00 0.00 C ATOM 941 C GLN A 120 7.477 5.266 2.400 1.00 0.00 C ATOM 942 O GLN A 120 7.910 6.337 1.976 1.00 0.00 O ATOM 943 CB GLN A 120 5.307 5.140 3.578 1.00 0.00 C ATOM 944 CG GLN A 120 3.887 5.645 3.465 1.00 0.00 C ATOM 945 CD GLN A 120 3.553 6.654 4.546 1.00 0.00 C ATOM 946 OE1 GLN A 120 3.204 6.289 5.668 1.00 0.00 O ATOM 947 NE2 GLN A 120 3.652 7.936 4.210 1.00 0.00 N ATOM 0 H GLN A 120 5.111 3.011 2.338 1.00 0.00 H new ATOM 0 HA GLN A 120 5.584 5.551 1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.304 4.205 4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.890 5.856 4.157 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.742 6.102 2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.197 4.804 3.529 1.00 0.00 H new ATOM 0 HE21 GLN A 120 3.945 8.195 3.268 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.435 8.661 4.894 1.00 0.00 H new ATOM 956 N SER A 121 8.254 4.362 2.987 1.00 0.00 N ATOM 957 CA SER A 121 9.660 4.640 3.278 1.00 0.00 C ATOM 958 C SER A 121 10.606 4.498 2.081 1.00 0.00 C ATOM 959 O SER A 121 11.746 4.065 2.244 1.00 0.00 O ATOM 960 CB SER A 121 10.122 3.743 4.422 1.00 0.00 C ATOM 961 OG SER A 121 10.064 4.432 5.661 1.00 0.00 O ATOM 0 H SER A 121 7.938 3.434 3.270 1.00 0.00 H new ATOM 0 HA SER A 121 9.710 5.693 3.556 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.495 2.852 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.142 3.406 4.236 1.00 0.00 H new ATOM 0 HG SER A 121 10.363 3.837 6.380 1.00 0.00 H new ATOM 967 N VAL A 122 10.157 4.880 0.890 1.00 0.00 N ATOM 968 CA VAL A 122 11.010 4.822 -0.290 1.00 0.00 C ATOM 969 C VAL A 122 11.207 6.230 -0.855 1.00 0.00 C ATOM 970 O VAL A 122 12.270 6.555 -1.381 1.00 0.00 O ATOM 971 CB VAL A 122 10.447 3.878 -1.371 1.00 0.00 C ATOM 972 CG1 VAL A 122 11.320 3.909 -2.618 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.344 2.461 -0.827 1.00 0.00 C ATOM 0 H VAL A 122 9.215 5.230 0.717 1.00 0.00 H new ATOM 0 HA VAL A 122 11.974 4.414 0.016 1.00 0.00 H new ATOM 0 HB VAL A 122 9.449 4.220 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 122 10.906 3.236 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 122 11.350 4.923 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 122 12.330 3.590 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 122 9.945 1.803 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.333 2.113 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.680 2.450 0.037 1.00 0.00 H new ATOM 983 N ARG A 123 10.162 7.054 -0.757 1.00 0.00 N ATOM 984 CA ARG A 123 10.225 8.442 -1.198 1.00 0.00 C ATOM 985 C ARG A 123 10.224 9.384 0.003 1.00 0.00 C ATOM 986 O ARG A 123 9.324 10.210 0.158 1.00 0.00 O ATOM 987 CB ARG A 123 9.043 8.764 -2.105 1.00 0.00 C ATOM 988 CG ARG A 123 8.915 7.797 -3.257 1.00 0.00 C ATOM 989 CD ARG A 123 7.697 8.099 -4.116 1.00 0.00 C ATOM 990 NE ARG A 123 7.800 9.350 -4.862 1.00 0.00 N ATOM 991 CZ ARG A 123 6.743 9.965 -5.393 1.00 0.00 C ATOM 992 NH1 ARG A 123 5.524 9.472 -5.208 1.00 0.00 N ATOM 993 NH2 ARG A 123 6.901 11.075 -6.099 1.00 0.00 N ATOM 0 H ARG A 123 9.258 6.778 -0.373 1.00 0.00 H new ATOM 0 HA ARG A 123 11.151 8.582 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 123 8.125 8.748 -1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 123 9.154 9.776 -2.495 1.00 0.00 H new ATOM 0 HG2 ARG A 123 9.814 7.843 -3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.845 6.780 -2.872 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.546 7.279 -4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 123 6.814 8.138 -3.478 1.00 0.00 H new ATOM 0 HE ARG A 123 8.721 9.772 -4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 123 5.396 8.622 -4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 123 4.716 9.943 -5.615 1.00 0.00 H new ATOM 0 HH21 ARG A 123 7.834 11.462 -6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 123 6.089 11.542 -6.503 1.00 0.00 H new ATOM 1007 N ASN A 124 11.232 9.243 0.855 1.00 0.00 N ATOM 1008 CA ASN A 124 11.364 10.079 2.042 1.00 0.00 C ATOM 1009 C ASN A 124 12.822 10.113 2.486 1.00 0.00 C ATOM 1010 O ASN A 124 13.235 9.344 3.353 1.00 0.00 O ATOM 1011 CB ASN A 124 10.483 9.545 3.175 1.00 0.00 C ATOM 1012 CG ASN A 124 10.033 10.639 4.126 1.00 0.00 C ATOM 1013 OD1 ASN A 124 9.502 11.665 3.703 1.00 0.00 O ATOM 1014 ND2 ASN A 124 10.250 10.425 5.419 1.00 0.00 N ATOM 0 H ASN A 124 11.975 8.553 0.745 1.00 0.00 H new ATOM 0 HA ASN A 124 11.038 11.090 1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 124 9.607 9.055 2.750 1.00 0.00 H new ATOM 0 HB3 ASN A 124 11.033 8.787 3.732 1.00 0.00 H new ATOM 0 HD21 ASN A 124 9.973 11.127 6.106 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.694 9.559 5.725 1.00 0.00 H new ATOM 1021 N ARG A 125 13.598 11.005 1.877 1.00 0.00 N ATOM 1022 CA ARG A 125 15.018 11.119 2.189 1.00 0.00 C ATOM 1023 C ARG A 125 15.377 12.503 2.730 1.00 0.00 C ATOM 1024 O ARG A 125 15.580 13.444 1.963 1.00 0.00 O ATOM 1025 CB ARG A 125 15.852 10.839 0.937 1.00 0.00 C ATOM 1026 CG ARG A 125 15.604 9.473 0.306 1.00 0.00 C ATOM 1027 CD ARG A 125 16.629 8.439 0.755 1.00 0.00 C ATOM 1028 NE ARG A 125 17.987 8.985 0.797 1.00 0.00 N ATOM 1029 CZ ARG A 125 18.845 8.956 -0.223 1.00 0.00 C ATOM 1030 NH1 ARG A 125 18.500 8.423 -1.388 1.00 0.00 N ATOM 1031 NH2 ARG A 125 20.059 9.472 -0.074 1.00 0.00 N ATOM 0 H ARG A 125 13.268 11.658 1.166 1.00 0.00 H new ATOM 0 HA ARG A 125 15.239 10.384 2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 125 15.643 11.611 0.196 1.00 0.00 H new ATOM 0 HB3 ARG A 125 16.908 10.921 1.193 1.00 0.00 H new ATOM 0 HG2 ARG A 125 14.604 9.129 0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 125 15.634 9.565 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 125 16.358 8.068 1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 125 16.603 7.587 0.076 1.00 0.00 H new ATOM 0 HE ARG A 125 18.298 9.417 1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.568 8.028 -1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 125 19.167 8.408 -2.159 1.00 0.00 H new ATOM 0 HH21 ARG A 125 20.331 9.888 0.817 1.00 0.00 H new ATOM 0 HH22 ARG A 125 20.720 9.453 -0.851 1.00 0.00 H new ATOM 1045 N ARG A 126 15.453 12.618 4.052 1.00 0.00 N ATOM 1046 CA ARG A 126 15.817 13.878 4.692 1.00 0.00 C ATOM 1047 C ARG A 126 16.741 13.605 5.873 1.00 0.00 C ATOM 1048 O ARG A 126 16.598 14.199 6.941 1.00 0.00 O ATOM 1049 CB ARG A 126 14.578 14.645 5.163 1.00 0.00 C ATOM 1050 CG ARG A 126 14.845 16.124 5.400 1.00 0.00 C ATOM 1051 CD ARG A 126 13.650 16.830 6.023 1.00 0.00 C ATOM 1052 NE ARG A 126 13.777 16.944 7.479 1.00 0.00 N ATOM 1053 CZ ARG A 126 13.110 16.200 8.366 1.00 0.00 C ATOM 1054 NH1 ARG A 126 12.268 15.249 7.976 1.00 0.00 N ATOM 1055 NH2 ARG A 126 13.298 16.406 9.663 1.00 0.00 N ATOM 0 H ARG A 126 15.267 11.854 4.702 1.00 0.00 H new ATOM 0 HA ARG A 126 16.333 14.496 3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.788 14.539 4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.209 14.196 6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 126 15.711 16.235 6.052 1.00 0.00 H new ATOM 0 HG3 ARG A 126 15.095 16.603 4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.550 17.825 5.589 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.739 16.283 5.780 1.00 0.00 H new ATOM 0 HE ARG A 126 14.423 17.644 7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.120 15.075 6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.769 14.693 8.671 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.947 17.128 9.976 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.793 15.843 10.347 1.00 0.00 H new ATOM 1069 N LYS A 127 17.690 12.696 5.662 1.00 0.00 N ATOM 1070 CA LYS A 127 18.639 12.317 6.701 1.00 0.00 C ATOM 1071 C LYS A 127 19.882 13.197 6.682 1.00 0.00 C ATOM 1072 O LYS A 127 20.563 13.314 5.664 1.00 0.00 O ATOM 1073 CB LYS A 127 19.044 10.848 6.535 1.00 0.00 C ATOM 1074 CG LYS A 127 20.006 10.354 7.605 1.00 0.00 C ATOM 1075 CD LYS A 127 19.319 9.410 8.581 1.00 0.00 C ATOM 1076 CE LYS A 127 19.086 8.038 7.966 1.00 0.00 C ATOM 1077 NZ LYS A 127 20.362 7.309 7.732 1.00 0.00 N ATOM 0 H LYS A 127 17.821 12.207 4.776 1.00 0.00 H new ATOM 0 HA LYS A 127 18.144 12.456 7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 127 18.147 10.229 6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 127 19.504 10.716 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 127 20.845 9.843 7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 127 20.416 11.205 8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 127 19.929 9.308 9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 127 18.365 9.837 8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 127 18.447 7.449 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 127 18.554 8.150 7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 20.163 6.298 7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 20.830 7.692 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 20.985 7.427 8.556 1.00 0.00 H new ATOM 1091 N ARG A 128 20.163 13.817 7.822 1.00 0.00 N ATOM 1092 CA ARG A 128 21.336 14.665 7.970 1.00 0.00 C ATOM 1093 C ARG A 128 22.085 14.270 9.236 1.00 0.00 C ATOM 1094 O ARG A 128 23.194 13.739 9.180 1.00 0.00 O ATOM 1095 CB ARG A 128 20.943 16.144 8.037 1.00 0.00 C ATOM 1096 CG ARG A 128 19.742 16.503 7.178 1.00 0.00 C ATOM 1097 CD ARG A 128 18.474 16.588 8.013 1.00 0.00 C ATOM 1098 NE ARG A 128 18.620 17.520 9.127 1.00 0.00 N ATOM 1099 CZ ARG A 128 17.768 17.594 10.144 1.00 0.00 C ATOM 1100 NH1 ARG A 128 16.706 16.801 10.182 1.00 0.00 N ATOM 1101 NH2 ARG A 128 17.976 18.463 11.124 1.00 0.00 N ATOM 0 H ARG A 128 19.589 13.746 8.662 1.00 0.00 H new ATOM 0 HA ARG A 128 21.978 14.526 7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 128 20.727 16.406 9.073 1.00 0.00 H new ATOM 0 HB3 ARG A 128 21.794 16.750 7.726 1.00 0.00 H new ATOM 0 HG2 ARG A 128 19.919 17.457 6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 128 19.615 15.756 6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 128 17.643 16.904 7.382 1.00 0.00 H new ATOM 0 HD3 ARG A 128 18.225 15.599 8.397 1.00 0.00 H new ATOM 0 HE ARG A 128 19.422 18.150 9.125 1.00 0.00 H new ATOM 0 HH11 ARG A 128 16.542 16.132 9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 128 16.053 16.860 10.964 1.00 0.00 H new ATOM 0 HH21 ARG A 128 18.791 19.076 11.098 1.00 0.00 H new ATOM 0 HH22 ARG A 128 17.321 18.519 11.904 1.00 0.00 H new ATOM 1115 N LYS A 129 21.457 14.524 10.378 1.00 0.00 N ATOM 1116 CA LYS A 129 22.037 14.182 11.672 1.00 0.00 C ATOM 1117 C LYS A 129 21.310 12.977 12.274 1.00 0.00 C ATOM 1118 O LYS A 129 21.793 12.359 13.223 1.00 0.00 O ATOM 1119 CB LYS A 129 21.955 15.369 12.644 1.00 0.00 C ATOM 1120 CG LYS A 129 21.840 16.728 11.965 1.00 0.00 C ATOM 1121 CD LYS A 129 23.176 17.210 11.421 1.00 0.00 C ATOM 1122 CE LYS A 129 23.888 18.110 12.418 1.00 0.00 C ATOM 1123 NZ LYS A 129 24.805 19.070 11.743 1.00 0.00 N ATOM 0 H LYS A 129 20.541 14.968 10.434 1.00 0.00 H new ATOM 0 HA LYS A 129 23.086 13.933 11.515 1.00 0.00 H new ATOM 0 HB2 LYS A 129 21.095 15.229 13.299 1.00 0.00 H new ATOM 0 HB3 LYS A 129 22.842 15.366 13.278 1.00 0.00 H new ATOM 0 HG2 LYS A 129 21.118 16.666 11.150 1.00 0.00 H new ATOM 0 HG3 LYS A 129 21.455 17.457 12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 129 23.807 16.352 11.188 1.00 0.00 H new ATOM 0 HD3 LYS A 129 23.017 17.751 10.488 1.00 0.00 H new ATOM 0 HE2 LYS A 129 23.150 18.661 13.001 1.00 0.00 H new ATOM 0 HE3 LYS A 129 24.455 17.498 13.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 25.271 19.665 12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 25.525 18.544 11.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 24.260 19.672 11.093 1.00 0.00 H new ATOM 1137 N GLY A 130 20.139 12.654 11.719 1.00 0.00 N ATOM 1138 CA GLY A 130 19.365 11.531 12.207 1.00 0.00 C ATOM 1139 C GLY A 130 17.958 11.515 11.637 1.00 0.00 C ATOM 1140 O GLY A 130 16.979 11.519 12.381 1.00 0.00 O ATOM 0 H GLY A 130 19.716 13.155 10.938 1.00 0.00 H new ATOM 0 HA2 GLY A 130 19.872 10.602 11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 130 19.314 11.572 13.295 1.00 0.00 H new ATOM 1144 N SER A 131 17.860 11.509 10.311 1.00 0.00 N ATOM 1145 CA SER A 131 16.565 11.491 9.639 1.00 0.00 C ATOM 1146 C SER A 131 15.681 12.629 10.138 1.00 0.00 C ATOM 1147 O SER A 131 14.866 12.386 11.054 1.00 0.00 O ATOM 1148 CB SER A 131 15.869 10.148 9.859 1.00 0.00 C ATOM 1149 OG SER A 131 14.826 9.954 8.918 1.00 0.00 O ATOM 1150 OXT SER A 131 15.813 13.754 9.613 1.00 0.00 O ATOM 0 H SER A 131 18.662 11.516 9.681 1.00 0.00 H new ATOM 0 HA SER A 131 16.734 11.629 8.571 1.00 0.00 H new ATOM 0 HB2 SER A 131 16.595 9.340 9.773 1.00 0.00 H new ATOM 0 HB3 SER A 131 15.464 10.106 10.870 1.00 0.00 H new ATOM 0 HG SER A 131 14.397 9.087 9.079 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.053 -5.433 1.893 1.00 0.00 ZN