USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 121 SER OG : rot -58:sc= 0.00398 USER MOD Set 1.2: A 124 ASN : amide:sc= -2.7! K(o=-2.7!,f=-0.081) USER MOD Set 2.1: A 92 SER OG : rot 150:sc= -1.59 USER MOD Set 2.2: A 96 LYS NZ :NH3+ -171:sc= -2.38! (180deg=-2.95!) USER MOD Set 3.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 65 GLN : amide:sc= -0.0497 K(o=-0.05,f=-0.88) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 68 CYS SG : rot -67:sc= 0.421 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,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 USER MOD Single : A 87 LYS NZ :NH3+ -123:sc= -1.19 (180deg=-3.83!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 159:sc= -0.123 (180deg=-0.609) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.866 K(o=-0.87,f=-1.9) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= -0.211 (180deg=-0.673) USER MOD Single : A 104 LYS NZ :NH3+ -163:sc= -0.11 (180deg=-0.411) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -1.02 K(o=-1,f=-3.3!) 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 115 HIS : no HE2:sc= -2.08 K(o=-2.1,f=-4.6!) USER MOD Single : A 116 LYS NZ :NH3+ 165:sc= -0.334 (180deg=-0.849) USER MOD Single : A 117 ASN : amide:sc= -0.946 K(o=-0.95,f=-0.057) USER MOD Single : A 120 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.5) USER MOD Single : A 127 LYS NZ :NH3+ 168:sc= -0.113 (180deg=-0.466) USER MOD Single : A 129 LYS NZ :NH3+ -175:sc= -0.629 (180deg=-0.704) USER MOD Single : A 131 SER OG : rot -67:sc= 0.455 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -17.919 -6.767 9.134 1.00 0.00 N ATOM 2 CA SER A 61 -16.759 -6.643 10.052 1.00 0.00 C ATOM 3 C SER A 61 -16.731 -5.278 10.733 1.00 0.00 C ATOM 4 O SER A 61 -17.252 -4.292 10.209 1.00 0.00 O ATOM 5 CB SER A 61 -15.447 -6.858 9.291 1.00 0.00 C ATOM 6 OG SER A 61 -14.910 -5.630 8.826 1.00 0.00 O ATOM 0 HA SER A 61 -16.866 -7.411 10.818 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.724 -7.350 9.942 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.620 -7.524 8.446 1.00 0.00 H new ATOM 0 HG SER A 61 -14.073 -5.800 8.346 1.00 0.00 H new ATOM 14 N ASN A 62 -16.113 -5.236 11.908 1.00 0.00 N ATOM 15 CA ASN A 62 -15.995 -3.999 12.665 1.00 0.00 C ATOM 16 C ASN A 62 -14.614 -3.382 12.475 1.00 0.00 C ATOM 17 O ASN A 62 -13.719 -3.571 13.298 1.00 0.00 O ATOM 18 CB ASN A 62 -16.250 -4.249 14.153 1.00 0.00 C ATOM 19 CG ASN A 62 -17.714 -4.490 14.463 1.00 0.00 C ATOM 20 OD1 ASN A 62 -18.364 -5.327 13.836 1.00 0.00 O ATOM 21 ND2 ASN A 62 -18.242 -3.747 15.428 1.00 0.00 N ATOM 0 H ASN A 62 -15.686 -6.047 12.356 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.747 -3.304 12.291 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -15.667 -5.111 14.477 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.898 -3.392 14.727 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.225 -3.858 15.677 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.665 -3.066 15.921 1.00 0.00 H new ATOM 28 N ALA A 63 -14.445 -2.658 11.375 1.00 0.00 N ATOM 29 CA ALA A 63 -13.177 -1.999 11.079 1.00 0.00 C ATOM 30 C ALA A 63 -12.021 -2.995 11.041 1.00 0.00 C ATOM 31 O ALA A 63 -10.902 -2.671 11.442 1.00 0.00 O ATOM 32 CB ALA A 63 -12.906 -0.915 12.110 1.00 0.00 C ATOM 0 H ALA A 63 -15.170 -2.512 10.672 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.254 -1.547 10.090 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.958 -0.427 11.884 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.709 -0.179 12.083 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.856 -1.362 13.103 1.00 0.00 H new ATOM 38 N GLY A 64 -12.289 -4.200 10.551 1.00 0.00 N ATOM 39 CA GLY A 64 -11.252 -5.215 10.473 1.00 0.00 C ATOM 40 C GLY A 64 -11.120 -5.799 9.079 1.00 0.00 C ATOM 41 O GLY A 64 -10.904 -7.001 8.918 1.00 0.00 O ATOM 0 H GLY A 64 -13.203 -4.493 10.207 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.299 -4.781 10.774 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.476 -6.014 11.180 1.00 0.00 H new ATOM 45 N GLN A 65 -11.245 -4.943 8.071 1.00 0.00 N ATOM 46 CA GLN A 65 -11.149 -5.370 6.680 1.00 0.00 C ATOM 47 C GLN A 65 -9.766 -5.925 6.359 1.00 0.00 C ATOM 48 O GLN A 65 -8.842 -5.830 7.167 1.00 0.00 O ATOM 49 CB GLN A 65 -11.467 -4.196 5.752 1.00 0.00 C ATOM 50 CG GLN A 65 -12.887 -3.678 5.904 1.00 0.00 C ATOM 51 CD GLN A 65 -13.893 -4.501 5.124 1.00 0.00 C ATOM 52 OE1 GLN A 65 -13.608 -4.966 4.020 1.00 0.00 O ATOM 53 NE2 GLN A 65 -15.072 -4.697 5.700 1.00 0.00 N ATOM 0 H GLN A 65 -11.414 -3.944 8.192 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.875 -6.168 6.523 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.768 -3.384 5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.309 -4.505 4.719 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.160 -3.681 6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.930 -2.642 5.567 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.265 -4.293 6.616 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.785 -5.252 5.227 1.00 0.00 H new ATOM 62 N LEU A 66 -9.635 -6.507 5.171 1.00 0.00 N ATOM 63 CA LEU A 66 -8.367 -7.076 4.735 1.00 0.00 C ATOM 64 C LEU A 66 -7.732 -6.215 3.648 1.00 0.00 C ATOM 65 O LEU A 66 -8.429 -5.569 2.865 1.00 0.00 O ATOM 66 CB LEU A 66 -8.571 -8.500 4.213 1.00 0.00 C ATOM 67 CG LEU A 66 -9.196 -9.476 5.210 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.223 -10.884 4.634 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.437 -9.451 6.528 1.00 0.00 C ATOM 0 H LEU A 66 -10.392 -6.596 4.494 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.698 -7.104 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.203 -8.457 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.606 -8.896 3.898 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.223 -9.164 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.671 -11.565 5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.812 -10.891 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.205 -11.207 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.896 -10.152 7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.399 -9.737 6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.471 -8.446 6.948 1.00 0.00 H new ATOM 81 N CYS A 67 -6.404 -6.212 3.608 1.00 0.00 N ATOM 82 CA CYS A 67 -5.655 -5.441 2.619 1.00 0.00 C ATOM 83 C CYS A 67 -6.251 -5.614 1.220 1.00 0.00 C ATOM 84 O CYS A 67 -6.731 -6.693 0.873 1.00 0.00 O ATOM 85 CB CYS A 67 -4.191 -5.886 2.633 1.00 0.00 C ATOM 86 SG CYS A 67 -3.174 -5.148 1.339 1.00 0.00 S ATOM 0 H CYS A 67 -5.818 -6.740 4.255 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.717 -4.384 2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.759 -5.639 3.603 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.153 -6.971 2.533 1.00 0.00 H new ATOM 91 N CYS A 68 -6.218 -4.548 0.416 1.00 0.00 N ATOM 92 CA CYS A 68 -6.778 -4.595 -0.936 1.00 0.00 C ATOM 93 C CYS A 68 -5.699 -4.498 -2.016 1.00 0.00 C ATOM 94 O CYS A 68 -5.918 -3.903 -3.071 1.00 0.00 O ATOM 95 CB CYS A 68 -7.808 -3.479 -1.125 1.00 0.00 C ATOM 96 SG CYS A 68 -7.281 -1.868 -0.497 1.00 0.00 S ATOM 0 H CYS A 68 -5.813 -3.649 0.675 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.265 -5.564 -1.046 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.035 -3.386 -2.187 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.733 -3.766 -0.625 1.00 0.00 H new ATOM 0 HG CYS A 68 -7.187 -1.917 0.799 1.00 0.00 H new ATOM 102 N LEU A 69 -4.538 -5.081 -1.746 1.00 0.00 N ATOM 103 CA LEU A 69 -3.441 -5.097 -2.705 1.00 0.00 C ATOM 104 C LEU A 69 -3.086 -6.533 -3.061 1.00 0.00 C ATOM 105 O LEU A 69 -3.429 -7.463 -2.331 1.00 0.00 O ATOM 106 CB LEU A 69 -2.213 -4.383 -2.142 1.00 0.00 C ATOM 107 CG LEU A 69 -2.423 -2.907 -1.831 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.223 -2.341 -1.089 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.677 -2.124 -3.111 1.00 0.00 C ATOM 0 H LEU A 69 -4.331 -5.552 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.763 -4.570 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.900 -4.892 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.395 -4.477 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.299 -2.812 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.392 -1.285 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.085 -2.883 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.330 -2.448 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.825 -1.071 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.820 -2.227 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.568 -2.512 -3.604 1.00 0.00 H new ATOM 121 N ARG A 70 -2.400 -6.712 -4.180 1.00 0.00 N ATOM 122 CA ARG A 70 -2.014 -8.042 -4.625 1.00 0.00 C ATOM 123 C ARG A 70 -0.532 -8.101 -4.965 1.00 0.00 C ATOM 124 O ARG A 70 -0.049 -7.341 -5.804 1.00 0.00 O ATOM 125 CB ARG A 70 -2.835 -8.448 -5.850 1.00 0.00 C ATOM 126 CG ARG A 70 -4.330 -8.270 -5.667 1.00 0.00 C ATOM 127 CD ARG A 70 -5.097 -8.715 -6.901 1.00 0.00 C ATOM 128 NE ARG A 70 -4.920 -10.146 -7.169 1.00 0.00 N ATOM 129 CZ ARG A 70 -4.519 -10.670 -8.330 1.00 0.00 C ATOM 130 NH1 ARG A 70 -4.214 -9.903 -9.372 1.00 0.00 N ATOM 131 NH2 ARG A 70 -4.417 -11.987 -8.445 1.00 0.00 N ATOM 0 H ARG A 70 -2.100 -5.955 -4.795 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.209 -8.736 -3.808 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.510 -7.858 -6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.628 -9.492 -6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.663 -8.845 -4.803 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.550 -7.223 -5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.157 -8.499 -6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.761 -8.140 -7.764 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.119 -10.794 -6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.284 -8.888 -9.296 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.910 -10.329 -10.247 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.644 -12.587 -7.652 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.112 -12.400 -9.326 1.00 0.00 H new ATOM 145 N GLU A 71 0.187 -9.003 -4.308 1.00 0.00 N ATOM 146 CA GLU A 71 1.609 -9.169 -4.564 1.00 0.00 C ATOM 147 C GLU A 71 1.844 -10.438 -5.374 1.00 0.00 C ATOM 148 O GLU A 71 1.837 -11.544 -4.833 1.00 0.00 O ATOM 149 CB GLU A 71 2.400 -9.221 -3.257 1.00 0.00 C ATOM 150 CG GLU A 71 3.903 -9.294 -3.467 1.00 0.00 C ATOM 151 CD GLU A 71 4.676 -9.338 -2.165 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.043 -9.525 -1.105 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.915 -9.184 -2.206 1.00 0.00 O ATOM 0 H GLU A 71 -0.191 -9.628 -3.596 1.00 0.00 H new ATOM 0 HA GLU A 71 1.959 -8.309 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.166 -8.338 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.078 -10.088 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.140 -10.180 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.227 -8.430 -4.047 1.00 0.00 H new ATOM 160 N ASP A 72 2.037 -10.265 -6.678 1.00 0.00 N ATOM 161 CA ASP A 72 2.257 -11.388 -7.580 1.00 0.00 C ATOM 162 C ASP A 72 1.061 -12.336 -7.555 1.00 0.00 C ATOM 163 O ASP A 72 1.220 -13.556 -7.591 1.00 0.00 O ATOM 164 CB ASP A 72 3.536 -12.141 -7.212 1.00 0.00 C ATOM 165 CG ASP A 72 4.428 -12.372 -8.417 1.00 0.00 C ATOM 166 OD1 ASP A 72 3.920 -12.868 -9.445 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.633 -12.051 -8.335 1.00 0.00 O ATOM 0 H ASP A 72 2.045 -9.353 -7.134 1.00 0.00 H new ATOM 0 HA ASP A 72 2.370 -10.993 -8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.085 -11.576 -6.458 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.276 -13.100 -6.765 1.00 0.00 H new ATOM 172 N GLY A 73 -0.137 -11.760 -7.495 1.00 0.00 N ATOM 173 CA GLY A 73 -1.348 -12.560 -7.473 1.00 0.00 C ATOM 174 C GLY A 73 -1.784 -12.946 -6.070 1.00 0.00 C ATOM 175 O GLY A 73 -2.835 -13.563 -5.895 1.00 0.00 O ATOM 0 H GLY A 73 -0.290 -10.752 -7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.152 -12.005 -7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.189 -13.465 -8.059 1.00 0.00 H new ATOM 179 N GLU A 74 -0.987 -12.585 -5.066 1.00 0.00 N ATOM 180 CA GLU A 74 -1.310 -12.915 -3.681 1.00 0.00 C ATOM 181 C GLU A 74 -2.017 -11.748 -2.991 1.00 0.00 C ATOM 182 O GLU A 74 -1.411 -10.708 -2.734 1.00 0.00 O ATOM 183 CB GLU A 74 -0.035 -13.289 -2.924 1.00 0.00 C ATOM 184 CG GLU A 74 -0.225 -14.438 -1.948 1.00 0.00 C ATOM 185 CD GLU A 74 -0.890 -15.641 -2.587 1.00 0.00 C ATOM 186 OE1 GLU A 74 -0.500 -16.006 -3.717 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.805 -16.215 -1.962 1.00 0.00 O ATOM 0 H GLU A 74 -0.117 -12.066 -5.186 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.989 -13.768 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.739 -13.557 -3.643 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.324 -12.416 -2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.745 -14.734 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.828 -14.099 -1.106 1.00 0.00 H new ATOM 194 N ARG A 75 -3.301 -11.938 -2.683 1.00 0.00 N ATOM 195 CA ARG A 75 -4.105 -10.898 -2.040 1.00 0.00 C ATOM 196 C ARG A 75 -3.689 -10.677 -0.585 1.00 0.00 C ATOM 197 O ARG A 75 -4.491 -10.857 0.332 1.00 0.00 O ATOM 198 CB ARG A 75 -5.585 -11.279 -2.097 1.00 0.00 C ATOM 199 CG ARG A 75 -6.529 -10.105 -1.895 1.00 0.00 C ATOM 200 CD ARG A 75 -6.569 -9.214 -3.123 1.00 0.00 C ATOM 201 NE ARG A 75 -6.748 -9.990 -4.347 1.00 0.00 N ATOM 202 CZ ARG A 75 -7.930 -10.321 -4.860 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.052 -9.970 -4.246 1.00 0.00 N ATOM 204 NH2 ARG A 75 -7.990 -11.018 -5.988 1.00 0.00 N ATOM 0 H ARG A 75 -3.807 -12.804 -2.869 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.938 -9.967 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.795 -11.740 -3.062 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.787 -12.031 -1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.531 -10.474 -1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.210 -9.523 -1.031 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.383 -8.496 -3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.644 -8.641 -3.187 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.911 -10.299 -4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.013 -9.442 -3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.954 -10.228 -4.646 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.131 -11.299 -6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.895 -11.273 -6.383 1.00 0.00 H new ATOM 218 N CYS A 76 -2.439 -10.263 -0.396 1.00 0.00 N ATOM 219 CA CYS A 76 -1.874 -9.984 0.929 1.00 0.00 C ATOM 220 C CYS A 76 -2.455 -10.890 2.036 1.00 0.00 C ATOM 221 O CYS A 76 -1.910 -11.960 2.306 1.00 0.00 O ATOM 222 CB CYS A 76 -2.050 -8.494 1.258 1.00 0.00 C ATOM 223 SG CYS A 76 -0.867 -7.852 2.463 1.00 0.00 S ATOM 0 H CYS A 76 -1.782 -10.109 -1.161 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.810 -10.219 0.895 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.961 -7.918 0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.059 -8.335 1.637 1.00 0.00 H new ATOM 228 N GLY A 77 -3.558 -10.478 2.667 1.00 0.00 N ATOM 229 CA GLY A 77 -4.143 -11.282 3.728 1.00 0.00 C ATOM 230 C GLY A 77 -4.150 -10.576 5.074 1.00 0.00 C ATOM 231 O GLY A 77 -5.022 -10.825 5.908 1.00 0.00 O ATOM 0 H GLY A 77 -4.051 -9.609 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.166 -11.544 3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.588 -12.216 3.817 1.00 0.00 H new ATOM 235 N ARG A 78 -3.175 -9.696 5.293 1.00 0.00 N ATOM 236 CA ARG A 78 -3.084 -8.957 6.550 1.00 0.00 C ATOM 237 C ARG A 78 -4.231 -7.957 6.670 1.00 0.00 C ATOM 238 O ARG A 78 -4.695 -7.409 5.671 1.00 0.00 O ATOM 239 CB ARG A 78 -1.741 -8.228 6.651 1.00 0.00 C ATOM 240 CG ARG A 78 -1.417 -7.744 8.055 1.00 0.00 C ATOM 241 CD ARG A 78 -0.251 -6.767 8.056 1.00 0.00 C ATOM 242 NE ARG A 78 0.106 -6.343 9.407 1.00 0.00 N ATOM 243 CZ ARG A 78 -0.651 -5.545 10.155 1.00 0.00 C ATOM 244 NH1 ARG A 78 -1.805 -5.091 9.687 1.00 0.00 N ATOM 245 NH2 ARG A 78 -0.253 -5.202 11.373 1.00 0.00 N ATOM 0 H ARG A 78 -2.440 -9.478 4.620 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.156 -9.673 7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.948 -8.896 6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.748 -7.374 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.295 -7.264 8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.177 -8.598 8.689 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.613 -7.233 7.582 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.510 -5.893 7.458 1.00 0.00 H new ATOM 0 HE ARG A 78 0.986 -6.678 9.799 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.115 -5.353 8.751 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.384 -4.479 10.263 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.634 -5.550 11.737 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.834 -4.590 11.946 1.00 0.00 H new ATOM 259 N ALA A 79 -4.682 -7.721 7.897 1.00 0.00 N ATOM 260 CA ALA A 79 -5.784 -6.795 8.147 1.00 0.00 C ATOM 261 C ALA A 79 -5.477 -5.396 7.619 1.00 0.00 C ATOM 262 O ALA A 79 -4.315 -5.006 7.500 1.00 0.00 O ATOM 263 CB ALA A 79 -6.091 -6.736 9.635 1.00 0.00 C ATOM 0 H ALA A 79 -4.302 -8.158 8.736 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.657 -7.168 7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.914 -6.043 9.810 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.371 -7.728 9.988 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.208 -6.394 10.175 1.00 0.00 H new ATOM 269 N ALA A 80 -6.532 -4.649 7.302 1.00 0.00 N ATOM 270 CA ALA A 80 -6.385 -3.287 6.803 1.00 0.00 C ATOM 271 C ALA A 80 -6.054 -2.338 7.949 1.00 0.00 C ATOM 272 O ALA A 80 -6.466 -2.566 9.087 1.00 0.00 O ATOM 273 CB ALA A 80 -7.651 -2.842 6.087 1.00 0.00 C ATOM 0 H ALA A 80 -7.498 -4.966 7.382 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.563 -3.265 6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.523 -1.823 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.847 -3.508 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.492 -2.876 6.780 1.00 0.00 H new ATOM 279 N GLY A 81 -5.321 -1.273 7.647 1.00 0.00 N ATOM 280 CA GLY A 81 -4.933 -0.330 8.679 1.00 0.00 C ATOM 281 C GLY A 81 -5.694 0.982 8.633 1.00 0.00 C ATOM 282 O GLY A 81 -6.897 1.010 8.372 1.00 0.00 O ATOM 0 H GLY A 81 -4.989 -1.046 6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.084 -0.792 9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.867 -0.123 8.586 1.00 0.00 H new ATOM 286 N ASN A 82 -4.974 2.071 8.885 1.00 0.00 N ATOM 287 CA ASN A 82 -5.565 3.404 8.909 1.00 0.00 C ATOM 288 C ASN A 82 -5.063 4.261 7.748 1.00 0.00 C ATOM 289 O ASN A 82 -5.073 5.489 7.825 1.00 0.00 O ATOM 290 CB ASN A 82 -5.220 4.079 10.238 1.00 0.00 C ATOM 291 CG ASN A 82 -6.330 4.971 10.751 1.00 0.00 C ATOM 292 OD1 ASN A 82 -6.990 5.669 9.982 1.00 0.00 O ATOM 293 ND2 ASN A 82 -6.547 4.945 12.061 1.00 0.00 N ATOM 0 H ASN A 82 -3.972 2.055 9.077 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.645 3.305 8.805 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.002 3.314 10.983 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.313 4.671 10.115 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.286 5.519 12.467 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.975 4.351 12.661 1.00 0.00 H new ATOM 300 N ALA A 83 -4.631 3.612 6.673 1.00 0.00 N ATOM 301 CA ALA A 83 -4.123 4.330 5.510 1.00 0.00 C ATOM 302 C ALA A 83 -5.007 4.112 4.287 1.00 0.00 C ATOM 303 O ALA A 83 -5.874 3.238 4.279 1.00 0.00 O ATOM 304 CB ALA A 83 -2.696 3.904 5.211 1.00 0.00 C ATOM 0 H ALA A 83 -4.622 2.596 6.582 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.136 5.394 5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.329 4.448 4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.063 4.125 6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.671 2.833 5.007 1.00 0.00 H new ATOM 310 N SER A 84 -4.777 4.917 3.257 1.00 0.00 N ATOM 311 CA SER A 84 -5.541 4.818 2.021 1.00 0.00 C ATOM 312 C SER A 84 -4.611 4.758 0.817 1.00 0.00 C ATOM 313 O SER A 84 -3.483 5.249 0.867 1.00 0.00 O ATOM 314 CB SER A 84 -6.481 6.017 1.880 1.00 0.00 C ATOM 315 OG SER A 84 -5.760 7.193 1.551 1.00 0.00 O ATOM 0 H SER A 84 -4.065 5.648 3.254 1.00 0.00 H new ATOM 0 HA SER A 84 -6.129 3.901 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.223 5.813 1.108 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.025 6.169 2.812 1.00 0.00 H new ATOM 0 HG SER A 84 -6.382 7.945 1.465 1.00 0.00 H new ATOM 321 N PHE A 85 -5.087 4.149 -0.261 1.00 0.00 N ATOM 322 CA PHE A 85 -4.304 4.044 -1.483 1.00 0.00 C ATOM 323 C PHE A 85 -4.489 5.299 -2.326 1.00 0.00 C ATOM 324 O PHE A 85 -5.583 5.569 -2.820 1.00 0.00 O ATOM 325 CB PHE A 85 -4.720 2.805 -2.275 1.00 0.00 C ATOM 326 CG PHE A 85 -4.106 2.718 -3.643 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.857 2.146 -3.825 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.788 3.194 -4.751 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.300 2.052 -5.087 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.239 3.099 -6.014 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.995 2.529 -6.182 1.00 0.00 C ATOM 0 H PHE A 85 -6.011 3.721 -0.313 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.250 3.947 -1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.446 1.915 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.805 2.798 -2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.313 1.769 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.761 3.645 -4.625 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.324 1.607 -5.217 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.783 3.471 -6.869 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.564 2.455 -7.169 1.00 0.00 H new ATOM 341 N SER A 86 -3.417 6.067 -2.479 1.00 0.00 N ATOM 342 CA SER A 86 -3.473 7.302 -3.250 1.00 0.00 C ATOM 343 C SER A 86 -2.562 7.234 -4.469 1.00 0.00 C ATOM 344 O SER A 86 -2.067 6.169 -4.835 1.00 0.00 O ATOM 345 CB SER A 86 -3.062 8.486 -2.374 1.00 0.00 C ATOM 346 OG SER A 86 -1.677 8.443 -2.076 1.00 0.00 O ATOM 0 H SER A 86 -2.502 5.857 -2.081 1.00 0.00 H new ATOM 0 HA SER A 86 -4.499 7.436 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.299 9.420 -2.884 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.637 8.474 -1.448 1.00 0.00 H new ATOM 0 HG SER A 86 -1.439 9.211 -1.516 1.00 0.00 H new ATOM 352 N LYS A 87 -2.376 8.383 -5.109 1.00 0.00 N ATOM 353 CA LYS A 87 -1.511 8.478 -6.280 1.00 0.00 C ATOM 354 C LYS A 87 -0.032 8.475 -5.881 1.00 0.00 C ATOM 355 O LYS A 87 0.801 7.885 -6.568 1.00 0.00 O ATOM 356 CB LYS A 87 -1.849 9.714 -7.132 1.00 0.00 C ATOM 357 CG LYS A 87 -2.193 10.980 -6.349 1.00 0.00 C ATOM 358 CD LYS A 87 -3.562 11.521 -6.750 1.00 0.00 C ATOM 359 CE LYS A 87 -4.563 11.467 -5.604 1.00 0.00 C ATOM 360 NZ LYS A 87 -4.903 10.069 -5.217 1.00 0.00 N ATOM 0 H LYS A 87 -2.813 9.263 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.695 7.594 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.000 9.929 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.691 9.468 -7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.183 10.764 -5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.432 11.740 -6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.458 12.551 -7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.946 10.945 -7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.153 11.991 -4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.473 11.993 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.931 9.929 -5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.417 9.405 -5.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.599 9.896 -4.238 1.00 0.00 H new ATOM 374 N ARG A 88 0.288 9.136 -4.771 1.00 0.00 N ATOM 375 CA ARG A 88 1.663 9.183 -4.276 1.00 0.00 C ATOM 376 C ARG A 88 2.218 7.770 -4.153 1.00 0.00 C ATOM 377 O ARG A 88 3.362 7.506 -4.523 1.00 0.00 O ATOM 378 CB ARG A 88 1.698 9.910 -2.919 1.00 0.00 C ATOM 379 CG ARG A 88 2.946 9.654 -2.080 1.00 0.00 C ATOM 380 CD ARG A 88 2.731 8.515 -1.093 1.00 0.00 C ATOM 381 NE ARG A 88 1.496 8.680 -0.320 1.00 0.00 N ATOM 382 CZ ARG A 88 1.432 9.155 0.929 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.526 9.564 1.564 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.259 9.233 1.542 1.00 0.00 N ATOM 0 H ARG A 88 -0.384 9.646 -4.198 1.00 0.00 H new ATOM 0 HA ARG A 88 2.287 9.734 -4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.612 10.982 -3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.823 9.611 -2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.784 9.416 -2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.214 10.561 -1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.696 7.569 -1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.580 8.461 -0.412 1.00 0.00 H new ATOM 0 HE ARG A 88 0.620 8.412 -0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.433 9.518 1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.459 9.923 2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.589 8.932 1.061 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.204 9.594 2.494 1.00 0.00 H new ATOM 398 N ILE A 89 1.398 6.865 -3.635 1.00 0.00 N ATOM 399 CA ILE A 89 1.801 5.477 -3.487 1.00 0.00 C ATOM 400 C ILE A 89 1.993 4.847 -4.864 1.00 0.00 C ATOM 401 O ILE A 89 2.944 4.103 -5.089 1.00 0.00 O ATOM 402 CB ILE A 89 0.766 4.679 -2.669 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.681 5.247 -1.249 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.123 3.200 -2.632 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.304 4.521 -0.360 1.00 0.00 C ATOM 0 H ILE A 89 0.452 7.069 -3.312 1.00 0.00 H new ATOM 0 HA ILE A 89 2.745 5.448 -2.944 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.207 4.774 -3.151 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.669 5.205 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.400 6.299 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.377 2.660 -2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.145 2.805 -3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.103 3.074 -2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.309 4.980 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.302 4.585 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.013 3.474 -0.273 1.00 0.00 H new ATOM 417 N GLN A 90 1.085 5.164 -5.785 1.00 0.00 N ATOM 418 CA GLN A 90 1.171 4.656 -7.151 1.00 0.00 C ATOM 419 C GLN A 90 2.509 5.053 -7.751 1.00 0.00 C ATOM 420 O GLN A 90 3.257 4.222 -8.268 1.00 0.00 O ATOM 421 CB GLN A 90 0.039 5.239 -7.996 1.00 0.00 C ATOM 422 CG GLN A 90 0.092 4.838 -9.461 1.00 0.00 C ATOM 423 CD GLN A 90 0.161 6.036 -10.391 1.00 0.00 C ATOM 424 OE1 GLN A 90 1.244 6.465 -10.791 1.00 0.00 O ATOM 425 NE2 GLN A 90 -0.998 6.589 -10.731 1.00 0.00 N ATOM 0 H GLN A 90 0.283 5.769 -5.610 1.00 0.00 H new ATOM 0 HA GLN A 90 1.082 3.570 -7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.915 4.920 -7.577 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.070 6.326 -7.926 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.961 4.202 -9.629 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.789 4.244 -9.704 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.872 6.201 -10.376 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.014 7.402 -11.347 1.00 0.00 H new ATOM 434 N LYS A 91 2.793 6.343 -7.661 1.00 0.00 N ATOM 435 CA LYS A 91 4.031 6.908 -8.154 1.00 0.00 C ATOM 436 C LYS A 91 5.217 6.167 -7.539 1.00 0.00 C ATOM 437 O LYS A 91 6.141 5.747 -8.240 1.00 0.00 O ATOM 438 CB LYS A 91 4.050 8.395 -7.788 1.00 0.00 C ATOM 439 CG LYS A 91 3.710 9.324 -8.946 1.00 0.00 C ATOM 440 CD LYS A 91 4.885 9.529 -9.889 1.00 0.00 C ATOM 441 CE LYS A 91 4.631 10.688 -10.842 1.00 0.00 C ATOM 442 NZ LYS A 91 4.457 11.978 -10.118 1.00 0.00 N ATOM 0 H LYS A 91 2.165 7.028 -7.241 1.00 0.00 H new ATOM 0 HA LYS A 91 4.104 6.803 -9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.342 8.568 -6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.039 8.652 -7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.868 8.913 -9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.391 10.289 -8.552 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.789 9.721 -9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.060 8.617 -10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.464 10.773 -11.539 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.740 10.482 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.641 12.769 -10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.484 12.045 -9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.125 12.022 -9.322 1.00 0.00 H new ATOM 456 N SER A 92 5.168 5.995 -6.221 1.00 0.00 N ATOM 457 CA SER A 92 6.216 5.288 -5.498 1.00 0.00 C ATOM 458 C SER A 92 6.392 3.883 -6.064 1.00 0.00 C ATOM 459 O SER A 92 7.510 3.391 -6.195 1.00 0.00 O ATOM 460 CB SER A 92 5.875 5.218 -4.008 1.00 0.00 C ATOM 461 OG SER A 92 6.774 4.371 -3.314 1.00 0.00 O ATOM 0 H SER A 92 4.410 6.338 -5.632 1.00 0.00 H new ATOM 0 HA SER A 92 7.152 5.833 -5.618 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.909 6.219 -3.577 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.856 4.851 -3.883 1.00 0.00 H new ATOM 0 HG SER A 92 6.871 4.684 -2.390 1.00 0.00 H new ATOM 467 N ILE A 93 5.275 3.242 -6.398 1.00 0.00 N ATOM 468 CA ILE A 93 5.303 1.899 -6.965 1.00 0.00 C ATOM 469 C ILE A 93 5.975 1.917 -8.337 1.00 0.00 C ATOM 470 O ILE A 93 6.815 1.071 -8.641 1.00 0.00 O ATOM 471 CB ILE A 93 3.874 1.313 -7.098 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.248 1.118 -5.715 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.890 -0.009 -7.856 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.755 0.869 -5.760 1.00 0.00 C ATOM 0 H ILE A 93 4.339 3.632 -6.285 1.00 0.00 H new ATOM 0 HA ILE A 93 5.875 1.266 -6.286 1.00 0.00 H new ATOM 0 HB ILE A 93 3.272 2.023 -7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.734 0.278 -5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.443 2.002 -5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.874 -0.396 -7.934 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.295 0.149 -8.855 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.512 -0.727 -7.322 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.377 0.740 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.258 1.720 -6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.554 -0.032 -6.340 1.00 0.00 H new ATOM 486 N SER A 94 5.595 2.892 -9.156 1.00 0.00 N ATOM 487 CA SER A 94 6.149 3.032 -10.498 1.00 0.00 C ATOM 488 C SER A 94 7.667 3.174 -10.460 1.00 0.00 C ATOM 489 O SER A 94 8.368 2.665 -11.333 1.00 0.00 O ATOM 490 CB SER A 94 5.532 4.242 -11.199 1.00 0.00 C ATOM 491 OG SER A 94 6.251 4.571 -12.374 1.00 0.00 O ATOM 0 H SER A 94 4.902 3.600 -8.912 1.00 0.00 H new ATOM 0 HA SER A 94 5.906 2.128 -11.056 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.493 4.029 -11.452 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.527 5.095 -10.521 1.00 0.00 H new ATOM 0 HG SER A 94 5.836 5.347 -12.805 1.00 0.00 H new ATOM 497 N GLN A 95 8.170 3.874 -9.450 1.00 0.00 N ATOM 498 CA GLN A 95 9.607 4.075 -9.308 1.00 0.00 C ATOM 499 C GLN A 95 10.285 2.780 -8.874 1.00 0.00 C ATOM 500 O GLN A 95 11.264 2.345 -9.482 1.00 0.00 O ATOM 501 CB GLN A 95 9.892 5.190 -8.301 1.00 0.00 C ATOM 502 CG GLN A 95 11.157 5.976 -8.604 1.00 0.00 C ATOM 503 CD GLN A 95 11.205 6.474 -10.037 1.00 0.00 C ATOM 504 OE1 GLN A 95 10.172 6.640 -10.684 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.410 6.723 -10.537 1.00 0.00 N ATOM 0 H GLN A 95 7.607 4.310 -8.720 1.00 0.00 H new ATOM 0 HA GLN A 95 10.013 4.370 -10.276 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.045 5.875 -8.281 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.974 4.756 -7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.223 6.826 -7.925 1.00 0.00 H new ATOM 0 HG3 GLN A 95 12.026 5.347 -8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 95 13.241 6.571 -9.965 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.505 7.066 -11.493 1.00 0.00 H new ATOM 514 N LYS A 96 9.756 2.164 -7.821 1.00 0.00 N ATOM 515 CA LYS A 96 10.302 0.909 -7.319 1.00 0.00 C ATOM 516 C LYS A 96 10.244 -0.166 -8.392 1.00 0.00 C ATOM 517 O LYS A 96 11.190 -0.929 -8.577 1.00 0.00 O ATOM 518 CB LYS A 96 9.508 0.414 -6.107 1.00 0.00 C ATOM 519 CG LYS A 96 9.500 1.366 -4.930 1.00 0.00 C ATOM 520 CD LYS A 96 8.610 0.841 -3.811 1.00 0.00 C ATOM 521 CE LYS A 96 8.271 1.914 -2.784 1.00 0.00 C ATOM 522 NZ LYS A 96 9.203 3.076 -2.839 1.00 0.00 N ATOM 0 H LYS A 96 8.951 2.513 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 96 11.336 1.097 -7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.479 0.228 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.922 -0.541 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.516 1.500 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.146 2.345 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.688 0.448 -4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.110 0.010 -3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.252 2.262 -2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.299 1.478 -1.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.026 3.702 -2.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.185 2.735 -2.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.049 3.603 -3.723 1.00 0.00 H new ATOM 536 N LYS A 97 9.113 -0.207 -9.094 1.00 0.00 N ATOM 537 CA LYS A 97 8.875 -1.201 -10.131 1.00 0.00 C ATOM 538 C LYS A 97 8.722 -2.575 -9.496 1.00 0.00 C ATOM 539 O LYS A 97 9.640 -3.394 -9.514 1.00 0.00 O ATOM 540 CB LYS A 97 9.991 -1.200 -11.180 1.00 0.00 C ATOM 541 CG LYS A 97 10.004 0.057 -12.032 1.00 0.00 C ATOM 542 CD LYS A 97 9.906 -0.264 -13.514 1.00 0.00 C ATOM 543 CE LYS A 97 11.223 -0.787 -14.060 1.00 0.00 C ATOM 544 NZ LYS A 97 11.450 -0.352 -15.466 1.00 0.00 N ATOM 0 H LYS A 97 8.341 0.446 -8.959 1.00 0.00 H new ATOM 0 HA LYS A 97 7.951 -0.945 -10.650 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.953 -1.302 -10.679 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.875 -2.070 -11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.172 0.700 -11.744 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.920 0.616 -11.841 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.124 -1.006 -13.675 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.614 0.631 -14.062 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.042 -0.434 -13.433 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.230 -1.876 -14.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.359 -0.729 -15.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.682 -0.710 -16.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.468 0.687 -15.509 1.00 0.00 H new ATOM 558 N VAL A 98 7.549 -2.801 -8.915 1.00 0.00 N ATOM 559 CA VAL A 98 7.241 -4.058 -8.249 1.00 0.00 C ATOM 560 C VAL A 98 5.885 -4.593 -8.694 1.00 0.00 C ATOM 561 O VAL A 98 5.167 -3.935 -9.449 1.00 0.00 O ATOM 562 CB VAL A 98 7.237 -3.881 -6.719 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.617 -3.474 -6.225 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.193 -2.855 -6.304 1.00 0.00 C ATOM 0 H VAL A 98 6.789 -2.121 -8.893 1.00 0.00 H new ATOM 0 HA VAL A 98 8.016 -4.772 -8.527 1.00 0.00 H new ATOM 0 HB VAL A 98 6.979 -4.836 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.595 -3.354 -5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.340 -4.245 -6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.906 -2.531 -6.689 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.204 -2.743 -5.220 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.420 -1.896 -6.770 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.206 -3.190 -6.624 1.00 0.00 H new ATOM 574 N LYS A 99 5.533 -5.784 -8.219 1.00 0.00 N ATOM 575 CA LYS A 99 4.263 -6.402 -8.582 1.00 0.00 C ATOM 576 C LYS A 99 3.185 -6.109 -7.542 1.00 0.00 C ATOM 577 O LYS A 99 2.689 -7.016 -6.873 1.00 0.00 O ATOM 578 CB LYS A 99 4.429 -7.914 -8.745 1.00 0.00 C ATOM 579 CG LYS A 99 5.558 -8.308 -9.685 1.00 0.00 C ATOM 580 CD LYS A 99 5.054 -9.136 -10.858 1.00 0.00 C ATOM 581 CE LYS A 99 4.251 -8.294 -11.837 1.00 0.00 C ATOM 582 NZ LYS A 99 5.006 -7.095 -12.292 1.00 0.00 N ATOM 0 H LYS A 99 6.107 -6.338 -7.584 1.00 0.00 H new ATOM 0 HA LYS A 99 3.948 -5.972 -9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.611 -8.358 -7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.495 -8.335 -9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.050 -7.410 -10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.308 -8.876 -9.134 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.901 -9.587 -11.375 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.435 -9.953 -10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.981 -8.901 -12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.320 -7.979 -11.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.554 -6.702 -13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.007 -6.379 -11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.985 -7.365 -12.515 1.00 0.00 H new ATOM 596 N ILE A 100 2.831 -4.837 -7.404 1.00 0.00 N ATOM 597 CA ILE A 100 1.800 -4.423 -6.460 1.00 0.00 C ATOM 598 C ILE A 100 0.828 -3.459 -7.129 1.00 0.00 C ATOM 599 O ILE A 100 1.152 -2.292 -7.353 1.00 0.00 O ATOM 600 CB ILE A 100 2.405 -3.761 -5.201 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.288 -4.758 -4.449 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.307 -3.231 -4.286 1.00 0.00 C ATOM 603 CD1 ILE A 100 3.842 -4.215 -3.150 1.00 0.00 C ATOM 0 H ILE A 100 3.245 -4.071 -7.936 1.00 0.00 H new ATOM 0 HA ILE A 100 1.268 -5.321 -6.146 1.00 0.00 H new ATOM 0 HB ILE A 100 3.019 -2.919 -5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.709 -5.658 -4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.117 -5.054 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.757 -2.770 -3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.714 -2.490 -4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.664 -4.054 -3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.458 -4.976 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.448 -3.332 -3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.019 -3.945 -2.488 1.00 0.00 H new ATOM 615 N GLU A 101 -0.358 -3.955 -7.454 1.00 0.00 N ATOM 616 CA GLU A 101 -1.373 -3.137 -8.101 1.00 0.00 C ATOM 617 C GLU A 101 -2.709 -3.258 -7.383 1.00 0.00 C ATOM 618 O GLU A 101 -3.006 -4.279 -6.761 1.00 0.00 O ATOM 619 CB GLU A 101 -1.531 -3.544 -9.567 1.00 0.00 C ATOM 620 CG GLU A 101 -1.957 -4.991 -9.752 1.00 0.00 C ATOM 621 CD GLU A 101 -2.037 -5.389 -11.212 1.00 0.00 C ATOM 622 OE1 GLU A 101 -1.079 -5.101 -11.959 1.00 0.00 O ATOM 623 OE2 GLU A 101 -3.056 -5.994 -11.609 1.00 0.00 O ATOM 0 H GLU A 101 -0.640 -4.920 -7.280 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.048 -2.098 -8.053 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.267 -2.894 -10.039 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.585 -3.383 -10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.250 -5.643 -9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.929 -5.143 -9.283 1.00 0.00 H new ATOM 630 N LEU A 102 -3.510 -2.208 -7.474 1.00 0.00 N ATOM 631 CA LEU A 102 -4.815 -2.182 -6.835 1.00 0.00 C ATOM 632 C LEU A 102 -5.807 -3.097 -7.546 1.00 0.00 C ATOM 633 O LEU A 102 -5.784 -3.236 -8.768 1.00 0.00 O ATOM 634 CB LEU A 102 -5.361 -0.751 -6.812 1.00 0.00 C ATOM 635 CG LEU A 102 -6.859 -0.633 -6.525 1.00 0.00 C ATOM 636 CD1 LEU A 102 -7.172 -0.984 -5.081 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.350 0.755 -6.847 1.00 0.00 C ATOM 0 H LEU A 102 -3.277 -1.358 -7.988 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.690 -2.544 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.816 -0.183 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.153 -0.284 -7.775 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.379 -1.346 -7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.244 -0.891 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.860 -2.009 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.637 -0.305 -4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.418 0.821 -6.637 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.814 1.481 -6.236 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.174 0.968 -7.901 1.00 0.00 H new ATOM 649 N ASP A 103 -6.688 -3.697 -6.758 1.00 0.00 N ATOM 650 CA ASP A 103 -7.729 -4.561 -7.285 1.00 0.00 C ATOM 651 C ASP A 103 -8.974 -3.721 -7.520 1.00 0.00 C ATOM 652 O ASP A 103 -9.574 -3.217 -6.572 1.00 0.00 O ATOM 653 CB ASP A 103 -8.040 -5.694 -6.306 1.00 0.00 C ATOM 654 CG ASP A 103 -9.276 -6.488 -6.701 1.00 0.00 C ATOM 655 OD1 ASP A 103 -9.262 -7.116 -7.780 1.00 0.00 O ATOM 656 OD2 ASP A 103 -10.258 -6.478 -5.929 1.00 0.00 O ATOM 0 H ASP A 103 -6.700 -3.598 -5.743 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.393 -5.009 -8.220 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.184 -6.366 -6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.184 -5.278 -5.309 1.00 0.00 H new ATOM 661 N LYS A 104 -9.350 -3.557 -8.777 1.00 0.00 N ATOM 662 CA LYS A 104 -10.514 -2.752 -9.120 1.00 0.00 C ATOM 663 C LYS A 104 -11.828 -3.474 -8.816 1.00 0.00 C ATOM 664 O LYS A 104 -12.903 -2.893 -8.955 1.00 0.00 O ATOM 665 CB LYS A 104 -10.456 -2.360 -10.595 1.00 0.00 C ATOM 666 CG LYS A 104 -9.296 -1.434 -10.930 1.00 0.00 C ATOM 667 CD LYS A 104 -9.731 0.022 -10.961 1.00 0.00 C ATOM 668 CE LYS A 104 -10.690 0.293 -12.112 1.00 0.00 C ATOM 669 NZ LYS A 104 -10.089 -0.054 -13.430 1.00 0.00 N ATOM 0 H LYS A 104 -8.869 -3.969 -9.576 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.489 -1.856 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.377 -3.263 -11.200 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.391 -1.873 -10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.504 -1.562 -10.192 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.878 -1.710 -11.898 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.212 0.279 -10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -8.855 0.663 -11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.604 -0.284 -11.967 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.973 1.346 -12.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.635 0.399 -14.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.105 0.282 -13.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.107 -1.086 -13.559 1.00 0.00 H new ATOM 683 N SER A 105 -11.745 -4.736 -8.398 1.00 0.00 N ATOM 684 CA SER A 105 -12.942 -5.507 -8.074 1.00 0.00 C ATOM 685 C SER A 105 -13.495 -5.120 -6.703 1.00 0.00 C ATOM 686 O SER A 105 -14.661 -5.376 -6.402 1.00 0.00 O ATOM 687 CB SER A 105 -12.635 -7.007 -8.101 1.00 0.00 C ATOM 688 OG SER A 105 -12.382 -7.455 -9.420 1.00 0.00 O ATOM 0 H SER A 105 -10.868 -5.242 -8.277 1.00 0.00 H new ATOM 0 HA SER A 105 -13.696 -5.280 -8.827 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.770 -7.215 -7.471 1.00 0.00 H new ATOM 0 HB3 SER A 105 -13.475 -7.560 -7.681 1.00 0.00 H new ATOM 0 HG SER A 105 -12.187 -8.415 -9.408 1.00 0.00 H new ATOM 694 N ALA A 106 -12.653 -4.500 -5.879 1.00 0.00 N ATOM 695 CA ALA A 106 -13.051 -4.089 -4.537 1.00 0.00 C ATOM 696 C ALA A 106 -13.863 -2.794 -4.560 1.00 0.00 C ATOM 697 O ALA A 106 -14.470 -2.447 -5.575 1.00 0.00 O ATOM 698 CB ALA A 106 -11.815 -3.933 -3.663 1.00 0.00 C ATOM 0 H ALA A 106 -11.688 -4.271 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.693 -4.864 -4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -12.114 -3.626 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.286 -4.884 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.158 -3.177 -4.093 1.00 0.00 H new ATOM 704 N ARG A 107 -13.879 -2.088 -3.429 1.00 0.00 N ATOM 705 CA ARG A 107 -14.622 -0.841 -3.312 1.00 0.00 C ATOM 706 C ARG A 107 -13.911 0.139 -2.382 1.00 0.00 C ATOM 707 O ARG A 107 -13.710 1.303 -2.727 1.00 0.00 O ATOM 708 CB ARG A 107 -16.031 -1.125 -2.791 1.00 0.00 C ATOM 709 CG ARG A 107 -16.072 -2.188 -1.702 1.00 0.00 C ATOM 710 CD ARG A 107 -17.457 -2.801 -1.581 1.00 0.00 C ATOM 711 NE ARG A 107 -18.018 -3.134 -2.891 1.00 0.00 N ATOM 712 CZ ARG A 107 -17.912 -4.327 -3.479 1.00 0.00 C ATOM 713 NH1 ARG A 107 -17.254 -5.320 -2.892 1.00 0.00 N ATOM 714 NH2 ARG A 107 -18.466 -4.524 -4.667 1.00 0.00 N ATOM 0 H ARG A 107 -13.383 -2.363 -2.581 1.00 0.00 H new ATOM 0 HA ARG A 107 -14.684 -0.386 -4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -16.459 -0.201 -2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.660 -1.443 -3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -15.345 -2.969 -1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -15.783 -1.746 -0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.404 -3.701 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -18.120 -2.104 -1.068 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.526 -2.403 -3.389 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.821 -5.176 -1.980 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.181 -6.227 -3.354 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -18.970 -3.766 -5.127 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -18.388 -5.434 -5.121 1.00 0.00 H new ATOM 728 N HIS A 108 -13.529 -0.345 -1.205 1.00 0.00 N ATOM 729 CA HIS A 108 -12.852 0.492 -0.221 1.00 0.00 C ATOM 730 C HIS A 108 -11.368 0.641 -0.540 1.00 0.00 C ATOM 731 O HIS A 108 -10.760 -0.239 -1.150 1.00 0.00 O ATOM 732 CB HIS A 108 -13.021 -0.098 1.184 1.00 0.00 C ATOM 733 CG HIS A 108 -12.194 -1.326 1.430 1.00 0.00 C ATOM 734 ND1 HIS A 108 -10.820 -1.294 1.547 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.552 -2.623 1.579 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.368 -2.517 1.758 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.399 -3.342 1.783 1.00 0.00 N ATOM 0 H HIS A 108 -13.676 -1.310 -0.910 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.310 1.481 -0.258 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.756 0.661 1.921 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.072 -0.342 1.341 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -13.556 -3.019 1.544 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.332 -2.795 1.888 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -11.348 -4.350 1.930 1.00 0.00 H new ATOM 746 N LEU A 109 -10.794 1.762 -0.118 1.00 0.00 N ATOM 747 CA LEU A 109 -9.378 2.025 -0.333 1.00 0.00 C ATOM 748 C LEU A 109 -8.652 2.109 1.004 1.00 0.00 C ATOM 749 O LEU A 109 -8.458 3.195 1.552 1.00 0.00 O ATOM 750 CB LEU A 109 -9.177 3.319 -1.123 1.00 0.00 C ATOM 751 CG LEU A 109 -9.664 3.277 -2.572 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.418 4.614 -3.255 1.00 0.00 C ATOM 753 CD2 LEU A 109 -8.977 2.154 -3.333 1.00 0.00 C ATOM 0 H LEU A 109 -11.290 2.504 0.376 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.962 1.202 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.695 4.127 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.116 3.567 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.737 3.084 -2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.770 4.567 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.956 5.399 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.351 4.836 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.336 2.139 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.899 2.316 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.203 1.200 -2.856 1.00 0.00 H new ATOM 765 N TYR A 110 -8.272 0.953 1.530 1.00 0.00 N ATOM 766 CA TYR A 110 -7.566 0.882 2.803 1.00 0.00 C ATOM 767 C TYR A 110 -6.528 -0.229 2.771 1.00 0.00 C ATOM 768 O TYR A 110 -6.869 -1.412 2.784 1.00 0.00 O ATOM 769 CB TYR A 110 -8.549 0.641 3.951 1.00 0.00 C ATOM 770 CG TYR A 110 -9.575 1.739 4.118 1.00 0.00 C ATOM 771 CD1 TYR A 110 -10.788 1.690 3.442 1.00 0.00 C ATOM 772 CD2 TYR A 110 -9.333 2.822 4.954 1.00 0.00 C ATOM 773 CE1 TYR A 110 -11.729 2.690 3.594 1.00 0.00 C ATOM 774 CE2 TYR A 110 -10.271 3.825 5.112 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.467 3.755 4.430 1.00 0.00 C ATOM 776 OH TYR A 110 -12.402 4.751 4.584 1.00 0.00 O ATOM 0 H TYR A 110 -8.442 0.047 1.093 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.062 1.834 2.967 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.066 -0.304 3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -7.989 0.536 4.880 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -10.998 0.857 2.787 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -8.397 2.881 5.489 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -12.666 2.638 3.060 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -10.068 4.660 5.767 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.062 5.426 5.208 1.00 0.00 H new ATOM 786 N ILE A 111 -5.260 0.156 2.722 1.00 0.00 N ATOM 787 CA ILE A 111 -4.174 -0.812 2.687 1.00 0.00 C ATOM 788 C ILE A 111 -3.687 -1.136 4.092 1.00 0.00 C ATOM 789 O ILE A 111 -3.933 -0.385 5.034 1.00 0.00 O ATOM 790 CB ILE A 111 -2.987 -0.297 1.851 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.366 0.935 2.512 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.438 0.026 0.434 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.145 1.460 1.786 1.00 0.00 C ATOM 0 H ILE A 111 -4.959 1.130 2.706 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.569 -1.715 2.222 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.230 -1.080 1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.115 1.725 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.091 0.687 3.537 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.588 0.389 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.838 -0.873 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.211 0.794 0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.758 2.334 2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.379 0.685 1.756 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.419 1.739 0.769 1.00 0.00 H new ATOM 805 N CYS A 112 -2.998 -2.262 4.224 1.00 0.00 N ATOM 806 CA CYS A 112 -2.470 -2.682 5.513 1.00 0.00 C ATOM 807 C CYS A 112 -1.226 -1.878 5.870 1.00 0.00 C ATOM 808 O CYS A 112 -0.541 -1.354 4.991 1.00 0.00 O ATOM 809 CB CYS A 112 -2.139 -4.174 5.486 1.00 0.00 C ATOM 810 SG CYS A 112 -1.100 -4.671 4.093 1.00 0.00 S ATOM 0 H CYS A 112 -2.793 -2.899 3.455 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.230 -2.501 6.273 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.635 -4.441 6.415 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.069 -4.742 5.453 1.00 0.00 H new ATOM 815 N ASP A 113 -0.942 -1.776 7.162 1.00 0.00 N ATOM 816 CA ASP A 113 0.222 -1.037 7.631 1.00 0.00 C ATOM 817 C ASP A 113 1.490 -1.588 6.985 1.00 0.00 C ATOM 818 O ASP A 113 2.447 -0.855 6.735 1.00 0.00 O ATOM 819 CB ASP A 113 0.327 -1.128 9.155 1.00 0.00 C ATOM 820 CG ASP A 113 1.064 0.049 9.759 1.00 0.00 C ATOM 821 OD1 ASP A 113 2.118 0.436 9.212 1.00 0.00 O ATOM 822 OD2 ASP A 113 0.588 0.585 10.783 1.00 0.00 O ATOM 0 H ASP A 113 -1.502 -2.196 7.904 1.00 0.00 H new ATOM 0 HA ASP A 113 0.109 0.010 7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.674 -1.183 9.582 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.840 -2.051 9.426 1.00 0.00 H new ATOM 827 N TYR A 114 1.475 -2.888 6.713 1.00 0.00 N ATOM 828 CA TYR A 114 2.609 -3.568 6.097 1.00 0.00 C ATOM 829 C TYR A 114 3.030 -2.879 4.802 1.00 0.00 C ATOM 830 O TYR A 114 4.159 -2.404 4.679 1.00 0.00 O ATOM 831 CB TYR A 114 2.240 -5.028 5.818 1.00 0.00 C ATOM 832 CG TYR A 114 3.372 -5.862 5.260 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.355 -6.380 6.093 1.00 0.00 C ATOM 834 CD2 TYR A 114 3.450 -6.141 3.901 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.384 -7.152 5.588 1.00 0.00 C ATOM 836 CE2 TYR A 114 4.477 -6.911 3.388 1.00 0.00 C ATOM 837 CZ TYR A 114 5.441 -7.415 4.235 1.00 0.00 C ATOM 838 OH TYR A 114 6.462 -8.186 3.729 1.00 0.00 O ATOM 0 H TYR A 114 0.682 -3.497 6.912 1.00 0.00 H new ATOM 0 HA TYR A 114 3.451 -3.528 6.787 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.890 -5.485 6.744 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.407 -5.052 5.116 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.315 -6.176 7.153 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.696 -5.750 3.234 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.140 -7.548 6.250 1.00 0.00 H new ATOM 0 HE2 TYR A 114 4.524 -7.117 2.329 1.00 0.00 H new ATOM 0 HH TYR A 114 6.354 -8.276 2.759 1.00 0.00 H new ATOM 848 N HIS A 115 2.114 -2.824 3.840 1.00 0.00 N ATOM 849 CA HIS A 115 2.398 -2.205 2.550 1.00 0.00 C ATOM 850 C HIS A 115 2.649 -0.703 2.685 1.00 0.00 C ATOM 851 O HIS A 115 3.437 -0.133 1.933 1.00 0.00 O ATOM 852 CB HIS A 115 1.255 -2.470 1.566 1.00 0.00 C ATOM 853 CG HIS A 115 1.304 -3.839 0.956 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.167 -4.594 0.783 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.370 -4.534 0.488 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.564 -5.721 0.218 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.890 -5.730 0.021 1.00 0.00 N ATOM 0 H HIS A 115 1.170 -3.200 3.929 1.00 0.00 H new ATOM 0 HA HIS A 115 3.311 -2.657 2.162 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.303 -2.344 2.082 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.288 -1.724 0.772 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -0.786 -4.337 1.038 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.400 -4.208 0.484 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.096 -6.532 -0.051 1.00 0.00 H new ATOM 865 N LYS A 116 1.982 -0.062 3.642 1.00 0.00 N ATOM 866 CA LYS A 116 2.163 1.373 3.850 1.00 0.00 C ATOM 867 C LYS A 116 3.617 1.687 4.186 1.00 0.00 C ATOM 868 O LYS A 116 4.246 2.533 3.550 1.00 0.00 O ATOM 869 CB LYS A 116 1.259 1.885 4.975 1.00 0.00 C ATOM 870 CG LYS A 116 1.363 3.387 5.188 1.00 0.00 C ATOM 871 CD LYS A 116 0.646 3.833 6.453 1.00 0.00 C ATOM 872 CE LYS A 116 1.385 3.388 7.704 1.00 0.00 C ATOM 873 NZ LYS A 116 2.852 3.621 7.598 1.00 0.00 N ATOM 0 H LYS A 116 1.320 -0.506 4.278 1.00 0.00 H new ATOM 0 HA LYS A 116 1.890 1.877 2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.225 1.627 4.747 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.518 1.374 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.413 3.673 5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.938 3.906 4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.550 4.919 6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.364 3.424 6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 116 0.994 3.927 8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.198 2.328 7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.284 3.548 8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.272 2.908 6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.026 4.570 7.210 1.00 0.00 H new ATOM 887 N ASN A 117 4.140 0.996 5.192 1.00 0.00 N ATOM 888 CA ASN A 117 5.518 1.189 5.629 1.00 0.00 C ATOM 889 C ASN A 117 6.499 0.724 4.557 1.00 0.00 C ATOM 890 O ASN A 117 7.515 1.369 4.302 1.00 0.00 O ATOM 891 CB ASN A 117 5.765 0.409 6.923 1.00 0.00 C ATOM 892 CG ASN A 117 7.029 0.843 7.642 1.00 0.00 C ATOM 893 OD1 ASN A 117 6.969 1.437 8.718 1.00 0.00 O ATOM 894 ND2 ASN A 117 8.182 0.550 7.051 1.00 0.00 N ATOM 0 H ASN A 117 3.627 0.293 5.724 1.00 0.00 H new ATOM 0 HA ASN A 117 5.676 2.253 5.806 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.912 0.539 7.588 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.831 -0.655 6.693 1.00 0.00 H new ATOM 0 HD21 ASN A 117 9.063 0.819 7.490 1.00 0.00 H new ATOM 0 HD22 ASN A 117 8.187 0.056 6.159 1.00 0.00 H new ATOM 901 N LEU A 118 6.179 -0.404 3.936 1.00 0.00 N ATOM 902 CA LEU A 118 7.025 -0.989 2.903 1.00 0.00 C ATOM 903 C LEU A 118 7.226 -0.040 1.721 1.00 0.00 C ATOM 904 O LEU A 118 8.336 0.103 1.211 1.00 0.00 O ATOM 905 CB LEU A 118 6.398 -2.301 2.417 1.00 0.00 C ATOM 906 CG LEU A 118 7.337 -3.254 1.673 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.751 -4.658 1.642 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.595 -2.758 0.258 1.00 0.00 C ATOM 0 H LEU A 118 5.331 -0.937 4.132 1.00 0.00 H new ATOM 0 HA LEU A 118 8.006 -1.179 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.987 -2.826 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.561 -2.061 1.761 1.00 0.00 H new ATOM 0 HG LEU A 118 8.288 -3.284 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.430 -5.324 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.615 -5.018 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.788 -4.639 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.265 -3.449 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.651 -2.698 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.054 -1.770 0.297 1.00 0.00 H new ATOM 920 N ILE A 119 6.154 0.624 1.306 1.00 0.00 N ATOM 921 CA ILE A 119 6.208 1.523 0.154 1.00 0.00 C ATOM 922 C ILE A 119 6.626 2.947 0.512 1.00 0.00 C ATOM 923 O ILE A 119 7.442 3.551 -0.183 1.00 0.00 O ATOM 924 CB ILE A 119 4.842 1.569 -0.551 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.392 0.146 -0.865 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.915 2.408 -1.819 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.968 0.049 -1.367 1.00 0.00 C ATOM 0 H ILE A 119 5.237 0.559 1.748 1.00 0.00 H new ATOM 0 HA ILE A 119 6.972 1.115 -0.508 1.00 0.00 H new ATOM 0 HB ILE A 119 4.112 2.038 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.060 -0.279 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.492 -0.463 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.937 2.426 -2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.213 3.425 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.647 1.974 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.723 -0.994 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.288 0.442 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.865 0.629 -2.284 1.00 0.00 H new ATOM 939 N GLN A 120 6.070 3.480 1.589 1.00 0.00 N ATOM 940 CA GLN A 120 6.365 4.851 2.001 1.00 0.00 C ATOM 941 C GLN A 120 7.820 5.066 2.411 1.00 0.00 C ATOM 942 O GLN A 120 8.457 6.023 1.968 1.00 0.00 O ATOM 943 CB GLN A 120 5.486 5.260 3.183 1.00 0.00 C ATOM 944 CG GLN A 120 4.048 5.560 2.826 1.00 0.00 C ATOM 945 CD GLN A 120 3.471 6.726 3.618 1.00 0.00 C ATOM 946 OE1 GLN A 120 2.549 7.399 3.160 1.00 0.00 O ATOM 947 NE2 GLN A 120 4.006 6.981 4.813 1.00 0.00 N ATOM 0 H GLN A 120 5.413 2.989 2.195 1.00 0.00 H new ATOM 0 HA GLN A 120 6.161 5.463 1.123 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.503 4.461 3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.921 6.142 3.654 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.982 5.783 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.442 4.672 3.004 1.00 0.00 H new ATOM 0 HE21 GLN A 120 4.770 6.403 5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.651 7.754 5.376 1.00 0.00 H new ATOM 956 N SER A 121 8.346 4.173 3.240 1.00 0.00 N ATOM 957 CA SER A 121 9.699 4.348 3.780 1.00 0.00 C ATOM 958 C SER A 121 10.818 3.832 2.877 1.00 0.00 C ATOM 959 O SER A 121 11.778 3.233 3.362 1.00 0.00 O ATOM 960 CB SER A 121 9.798 3.685 5.152 1.00 0.00 C ATOM 961 OG SER A 121 10.791 4.314 5.946 1.00 0.00 O ATOM 0 H SER A 121 7.868 3.328 3.553 1.00 0.00 H new ATOM 0 HA SER A 121 9.850 5.425 3.853 1.00 0.00 H new ATOM 0 HB2 SER A 121 8.834 3.739 5.657 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.037 2.628 5.034 1.00 0.00 H new ATOM 0 HG SER A 121 11.653 4.275 5.482 1.00 0.00 H new ATOM 967 N VAL A 122 10.717 4.074 1.579 1.00 0.00 N ATOM 968 CA VAL A 122 11.771 3.660 0.657 1.00 0.00 C ATOM 969 C VAL A 122 12.378 4.877 -0.047 1.00 0.00 C ATOM 970 O VAL A 122 13.533 4.850 -0.472 1.00 0.00 O ATOM 971 CB VAL A 122 11.265 2.643 -0.382 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.366 2.285 -1.372 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.747 1.392 0.313 1.00 0.00 C ATOM 0 H VAL A 122 9.927 4.549 1.141 1.00 0.00 H new ATOM 0 HA VAL A 122 12.542 3.168 1.250 1.00 0.00 H new ATOM 0 HB VAL A 122 10.446 3.100 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.984 1.565 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.694 3.185 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 122 13.209 1.849 -0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.392 0.681 -0.434 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.551 0.938 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.926 1.659 0.979 1.00 0.00 H new ATOM 983 N ARG A 123 11.586 5.941 -0.168 1.00 0.00 N ATOM 984 CA ARG A 123 12.043 7.180 -0.784 1.00 0.00 C ATOM 985 C ARG A 123 11.774 8.360 0.142 1.00 0.00 C ATOM 986 O ARG A 123 11.490 9.471 -0.305 1.00 0.00 O ATOM 987 CB ARG A 123 11.351 7.397 -2.124 1.00 0.00 C ATOM 988 CG ARG A 123 11.485 6.215 -3.060 1.00 0.00 C ATOM 989 CD ARG A 123 11.420 6.654 -4.509 1.00 0.00 C ATOM 990 NE ARG A 123 10.389 7.667 -4.714 1.00 0.00 N ATOM 991 CZ ARG A 123 10.443 8.599 -5.660 1.00 0.00 C ATOM 992 NH1 ARG A 123 11.445 8.617 -6.528 1.00 0.00 N ATOM 993 NH2 ARG A 123 9.485 9.511 -5.744 1.00 0.00 N ATOM 0 H ARG A 123 10.619 5.967 0.156 1.00 0.00 H new ATOM 0 HA ARG A 123 13.117 7.104 -0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 123 10.294 7.598 -1.952 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.770 8.282 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 123 12.430 5.705 -2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 123 10.690 5.496 -2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 123 12.388 7.051 -4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 123 11.216 5.791 -5.143 1.00 0.00 H new ATOM 0 HE ARG A 123 9.579 7.659 -4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 123 12.181 7.913 -6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.480 9.335 -7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 123 8.708 9.497 -5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 123 9.525 10.227 -6.469 1.00 0.00 H new ATOM 1007 N ASN A 124 11.855 8.094 1.439 1.00 0.00 N ATOM 1008 CA ASN A 124 11.638 9.121 2.456 1.00 0.00 C ATOM 1009 C ASN A 124 12.584 10.298 2.243 1.00 0.00 C ATOM 1010 O ASN A 124 13.693 10.324 2.777 1.00 0.00 O ATOM 1011 CB ASN A 124 11.823 8.535 3.864 1.00 0.00 C ATOM 1012 CG ASN A 124 12.920 7.483 3.935 1.00 0.00 C ATOM 1013 OD1 ASN A 124 14.075 7.788 4.224 1.00 0.00 O ATOM 1014 ND2 ASN A 124 12.556 6.231 3.676 1.00 0.00 N ATOM 0 H ASN A 124 12.071 7.171 1.816 1.00 0.00 H new ATOM 0 HA ASN A 124 10.613 9.481 2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.057 9.342 4.559 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.883 8.093 4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 124 13.246 5.481 3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 124 11.586 6.020 3.440 1.00 0.00 H new ATOM 1021 N ARG A 125 12.136 11.274 1.459 1.00 0.00 N ATOM 1022 CA ARG A 125 12.951 12.444 1.161 1.00 0.00 C ATOM 1023 C ARG A 125 12.122 13.728 1.206 1.00 0.00 C ATOM 1024 O ARG A 125 11.668 14.225 0.175 1.00 0.00 O ATOM 1025 CB ARG A 125 13.601 12.280 -0.215 1.00 0.00 C ATOM 1026 CG ARG A 125 15.101 12.521 -0.221 1.00 0.00 C ATOM 1027 CD ARG A 125 15.427 13.952 -0.608 1.00 0.00 C ATOM 1028 NE ARG A 125 14.762 14.335 -1.850 1.00 0.00 N ATOM 1029 CZ ARG A 125 14.404 15.581 -2.147 1.00 0.00 C ATOM 1030 NH1 ARG A 125 14.690 16.579 -1.321 1.00 0.00 N ATOM 1031 NH2 ARG A 125 13.766 15.832 -3.281 1.00 0.00 N ATOM 0 H ARG A 125 11.215 11.277 1.020 1.00 0.00 H new ATOM 0 HA ARG A 125 13.726 12.525 1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 125 13.404 11.273 -0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 125 13.129 12.971 -0.913 1.00 0.00 H new ATOM 0 HG2 ARG A 125 15.510 12.307 0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 125 15.579 11.835 -0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 125 15.121 14.625 0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 125 16.505 14.062 -0.722 1.00 0.00 H new ATOM 0 HE ARG A 125 14.560 13.603 -2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 125 15.188 16.394 -0.450 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.412 17.532 -1.557 1.00 0.00 H new ATOM 0 HH21 ARG A 125 13.550 15.070 -3.924 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.491 16.787 -3.511 1.00 0.00 H new ATOM 1045 N ARG A 126 11.923 14.251 2.413 1.00 0.00 N ATOM 1046 CA ARG A 126 11.164 15.482 2.607 1.00 0.00 C ATOM 1047 C ARG A 126 12.015 16.498 3.365 1.00 0.00 C ATOM 1048 O ARG A 126 12.513 17.460 2.780 1.00 0.00 O ATOM 1049 CB ARG A 126 9.865 15.194 3.367 1.00 0.00 C ATOM 1050 CG ARG A 126 8.639 15.855 2.755 1.00 0.00 C ATOM 1051 CD ARG A 126 7.399 14.993 2.934 1.00 0.00 C ATOM 1052 NE ARG A 126 7.574 13.667 2.346 1.00 0.00 N ATOM 1053 CZ ARG A 126 6.599 12.771 2.235 1.00 0.00 C ATOM 1054 NH1 ARG A 126 5.380 13.052 2.673 1.00 0.00 N ATOM 1055 NH2 ARG A 126 6.845 11.590 1.682 1.00 0.00 N ATOM 0 H ARG A 126 12.279 13.838 3.275 1.00 0.00 H new ATOM 0 HA ARG A 126 10.904 15.897 1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.706 14.116 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.974 15.534 4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 126 8.478 16.828 3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 126 8.811 16.033 1.693 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.175 14.894 3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 126 6.543 15.486 2.473 1.00 0.00 H new ATOM 0 HE ARG A 126 8.500 13.414 2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 126 5.187 13.959 3.097 1.00 0.00 H new ATOM 0 HH12 ARG A 126 4.635 12.361 2.586 1.00 0.00 H new ATOM 0 HH21 ARG A 126 7.782 11.371 1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 126 6.097 10.901 1.596 1.00 0.00 H new ATOM 1069 N LYS A 127 12.189 16.267 4.667 1.00 0.00 N ATOM 1070 CA LYS A 127 13.003 17.143 5.512 1.00 0.00 C ATOM 1071 C LYS A 127 12.734 18.620 5.231 1.00 0.00 C ATOM 1072 O LYS A 127 11.796 18.973 4.517 1.00 0.00 O ATOM 1073 CB LYS A 127 14.491 16.850 5.278 1.00 0.00 C ATOM 1074 CG LYS A 127 15.004 15.621 6.009 1.00 0.00 C ATOM 1075 CD LYS A 127 14.726 14.344 5.233 1.00 0.00 C ATOM 1076 CE LYS A 127 15.486 14.310 3.915 1.00 0.00 C ATOM 1077 NZ LYS A 127 16.946 14.537 4.106 1.00 0.00 N ATOM 0 H LYS A 127 11.775 15.477 5.162 1.00 0.00 H new ATOM 0 HA LYS A 127 12.733 16.941 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 127 14.661 16.721 4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 127 15.074 17.716 5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 127 16.077 15.719 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 127 14.534 15.559 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 127 15.007 13.482 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 127 13.657 14.262 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 127 15.329 13.346 3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 127 15.085 15.071 3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 17.451 14.307 3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 17.113 15.534 4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 17.294 13.929 4.874 1.00 0.00 H new ATOM 1091 N ARG A 128 13.548 19.480 5.840 1.00 0.00 N ATOM 1092 CA ARG A 128 13.451 20.913 5.625 1.00 0.00 C ATOM 1093 C ARG A 128 14.595 21.352 4.720 1.00 0.00 C ATOM 1094 O ARG A 128 15.606 20.659 4.613 1.00 0.00 O ATOM 1095 CB ARG A 128 13.501 21.675 6.952 1.00 0.00 C ATOM 1096 CG ARG A 128 14.810 21.506 7.704 1.00 0.00 C ATOM 1097 CD ARG A 128 15.059 22.665 8.657 1.00 0.00 C ATOM 1098 NE ARG A 128 13.957 22.854 9.596 1.00 0.00 N ATOM 1099 CZ ARG A 128 13.972 23.750 10.578 1.00 0.00 C ATOM 1100 NH1 ARG A 128 15.030 24.531 10.750 1.00 0.00 N ATOM 1101 NH2 ARG A 128 12.930 23.865 11.391 1.00 0.00 N ATOM 0 H ARG A 128 14.284 19.202 6.489 1.00 0.00 H new ATOM 0 HA ARG A 128 12.495 21.139 5.152 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.338 22.735 6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.682 21.337 7.586 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.791 20.571 8.264 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.633 21.435 6.993 1.00 0.00 H new ATOM 0 HD2 ARG A 128 15.980 22.485 9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 128 15.206 23.580 8.083 1.00 0.00 H new ATOM 0 HE ARG A 128 13.130 22.266 9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 128 15.834 24.445 10.128 1.00 0.00 H new ATOM 0 HH12 ARG A 128 15.040 25.218 11.504 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.115 23.265 11.263 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.944 24.553 12.144 1.00 0.00 H new ATOM 1115 N LYS A 129 14.444 22.499 4.075 1.00 0.00 N ATOM 1116 CA LYS A 129 15.482 22.988 3.170 1.00 0.00 C ATOM 1117 C LYS A 129 16.536 23.821 3.918 1.00 0.00 C ATOM 1118 O LYS A 129 17.312 23.266 4.696 1.00 0.00 O ATOM 1119 CB LYS A 129 14.868 23.737 1.966 1.00 0.00 C ATOM 1120 CG LYS A 129 13.448 24.256 2.189 1.00 0.00 C ATOM 1121 CD LYS A 129 13.362 25.260 3.330 1.00 0.00 C ATOM 1122 CE LYS A 129 13.175 26.681 2.817 1.00 0.00 C ATOM 1123 NZ LYS A 129 14.163 27.033 1.759 1.00 0.00 N ATOM 0 H LYS A 129 13.627 23.104 4.157 1.00 0.00 H new ATOM 0 HA LYS A 129 16.009 22.125 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 129 15.512 24.579 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 129 14.864 23.069 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.088 24.723 1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.787 23.415 2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 129 12.531 24.997 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.270 25.207 3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 129 12.166 26.792 2.420 1.00 0.00 H new ATOM 0 HE3 LYS A 129 13.270 27.381 3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 14.053 28.034 1.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.126 26.872 2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 14.001 26.439 0.921 1.00 0.00 H new ATOM 1137 N GLY A 130 16.568 25.139 3.710 1.00 0.00 N ATOM 1138 CA GLY A 130 17.555 25.962 4.380 1.00 0.00 C ATOM 1139 C GLY A 130 18.433 26.711 3.397 1.00 0.00 C ATOM 1140 O GLY A 130 18.078 26.858 2.227 1.00 0.00 O ATOM 0 H GLY A 130 15.931 25.644 3.094 1.00 0.00 H new ATOM 0 HA2 GLY A 130 17.050 26.675 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 130 18.178 25.334 5.017 1.00 0.00 H new ATOM 1144 N SER A 131 19.579 27.186 3.870 1.00 0.00 N ATOM 1145 CA SER A 131 20.508 27.925 3.023 1.00 0.00 C ATOM 1146 C SER A 131 21.952 27.574 3.361 1.00 0.00 C ATOM 1147 O SER A 131 22.573 28.321 4.146 1.00 0.00 O ATOM 1148 CB SER A 131 20.286 29.430 3.184 1.00 0.00 C ATOM 1149 OG SER A 131 21.375 30.165 2.652 1.00 0.00 O ATOM 1150 OXT SER A 131 22.450 26.554 2.840 1.00 0.00 O ATOM 0 H SER A 131 19.888 27.073 4.836 1.00 0.00 H new ATOM 0 HA SER A 131 20.319 27.643 1.987 1.00 0.00 H new ATOM 0 HB2 SER A 131 19.365 29.721 2.679 1.00 0.00 H new ATOM 0 HB3 SER A 131 20.161 29.672 4.239 1.00 0.00 H new ATOM 0 HG SER A 131 22.175 30.004 3.195 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.031 -5.611 1.988 1.00 0.00 ZN