USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 950 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 1 MET CE :methyl -176:sc= 0 (180deg=-0.0128) USER MOD Set 1.2: A 103 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0253 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.372 X(o=-0.37,f=0.052) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -160:sc= 0.0378 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 1.43 K(o=1.4,f=-0.23) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.0539 X(o=-0.054,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.56 X(o=-0.56,f=-0.29) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 179:sc= -0.844 (180deg=-0.845) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -178:sc= -0.431 (180deg=-0.443) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0966 USER MOD Single : A 101 ASN : amide:sc= -0.11 K(o=-0.11,f=-0.97) USER MOD Single : A 102 GLN : amide:sc= 0.838 K(o=0.84,f=-0.65) USER MOD Single : A 105 SER OG : rot 88:sc= 0.00645 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 51:sc= -0.311 USER MOD Single : A 113 TYR OH : rot 180:sc= -0.0387 USER MOD Single : A 116 HIS : no HD1:sc= -0.0583 X(o=-0.058,f=-0.47) USER MOD Single : A 118 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.46) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -0.889 X(o=-0.89,f=-0.64) USER MOD Single : A 123 HIS : no HD1:sc= -0.0671 X(o=-0.067,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.053 X(o=-0.053,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.717 -9.116 -3.839 1.00 0.00 N ATOM 2 CA MET A 1 -4.265 -7.716 -3.742 1.00 0.00 C ATOM 3 C MET A 1 -2.974 -7.599 -2.945 1.00 0.00 C ATOM 4 O MET A 1 -2.749 -8.376 -2.017 1.00 0.00 O ATOM 5 CB MET A 1 -5.361 -6.780 -3.187 1.00 0.00 C ATOM 6 CG MET A 1 -5.563 -6.770 -1.673 1.00 0.00 C ATOM 7 SD MET A 1 -7.218 -7.245 -1.111 1.00 0.00 S ATOM 8 CE MET A 1 -8.218 -5.895 -1.782 1.00 0.00 C ATOM 0 H1 MET A 1 -4.633 -9.441 -4.823 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.128 -9.714 -3.225 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.710 -9.182 -3.537 1.00 0.00 H new ATOM 0 HA MET A 1 -4.056 -7.384 -4.759 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.131 -5.763 -3.505 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.308 -7.053 -3.653 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.836 -7.445 -1.221 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.344 -5.770 -1.300 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.252 -6.012 -1.457 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.830 -4.942 -1.423 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.175 -5.917 -2.871 1.00 0.00 H new ATOM 18 N ILE A 2 -2.152 -6.606 -3.269 1.00 0.00 N ATOM 19 CA ILE A 2 -1.096 -6.046 -2.428 1.00 0.00 C ATOM 20 C ILE A 2 -1.613 -4.651 -2.035 1.00 0.00 C ATOM 21 O ILE A 2 -2.383 -4.051 -2.789 1.00 0.00 O ATOM 22 CB ILE A 2 0.244 -5.978 -3.199 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.549 -7.307 -3.913 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.438 -5.626 -2.303 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.845 -7.322 -4.726 1.00 0.00 C ATOM 0 H ILE A 2 -2.207 -6.143 -4.176 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.889 -6.656 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 2 0.113 -5.179 -3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.597 -8.100 -3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.282 -7.544 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.347 -5.594 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.273 -4.652 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.544 -6.382 -1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.972 -8.300 -5.191 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.798 -6.556 -5.500 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.690 -7.121 -4.067 1.00 0.00 H new ATOM 37 N ILE A 3 -1.205 -4.148 -0.875 1.00 0.00 N ATOM 38 CA ILE A 3 -1.665 -2.974 -0.152 1.00 0.00 C ATOM 39 C ILE A 3 -0.417 -2.174 0.137 1.00 0.00 C ATOM 40 O ILE A 3 0.401 -2.617 0.936 1.00 0.00 O ATOM 41 CB ILE A 3 -2.356 -3.386 1.164 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.664 -4.106 0.828 1.00 0.00 C ATOM 43 CG2 ILE A 3 -2.648 -2.175 2.068 1.00 0.00 C ATOM 44 CD1 ILE A 3 -4.147 -5.005 1.971 1.00 0.00 C ATOM 0 H ILE A 3 -0.455 -4.611 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.394 -2.402 -0.726 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.683 -4.045 1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.433 -3.368 0.600 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.524 -4.708 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.135 -2.513 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.713 -1.674 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.303 -1.479 1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.078 -5.493 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.392 -5.762 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.315 -4.401 2.863 1.00 0.00 H new ATOM 56 N ALA A 4 -0.229 -1.043 -0.531 1.00 0.00 N ATOM 57 CA ALA A 4 0.877 -0.158 -0.159 1.00 0.00 C ATOM 58 C ALA A 4 0.453 0.640 1.056 1.00 0.00 C ATOM 59 O ALA A 4 -0.734 0.954 1.205 1.00 0.00 O ATOM 60 CB ALA A 4 1.300 0.790 -1.287 1.00 0.00 C ATOM 0 H ALA A 4 -0.805 -0.720 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 4 1.747 -0.778 0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.123 1.418 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.622 0.208 -2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.456 1.420 -1.569 1.00 0.00 H new ATOM 66 N ILE A 5 1.430 1.069 1.847 1.00 0.00 N ATOM 67 CA ILE A 5 1.297 1.990 2.963 1.00 0.00 C ATOM 68 C ILE A 5 2.612 2.771 2.949 1.00 0.00 C ATOM 69 O ILE A 5 3.664 2.158 3.131 1.00 0.00 O ATOM 70 CB ILE A 5 1.051 1.242 4.298 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.263 0.431 4.237 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.985 2.269 5.442 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.616 -0.366 5.489 1.00 0.00 C ATOM 0 H ILE A 5 2.394 0.762 1.716 1.00 0.00 H new ATOM 0 HA ILE A 5 0.434 2.650 2.871 1.00 0.00 H new ATOM 0 HB ILE A 5 1.870 0.545 4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.082 1.119 4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.202 -0.260 3.396 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.812 1.752 6.386 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.927 2.816 5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.170 2.968 5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.556 -0.894 5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.175 -1.087 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.719 0.313 6.335 1.00 0.00 H new ATOM 85 N PRO A 6 2.622 4.083 2.671 1.00 0.00 N ATOM 86 CA PRO A 6 3.826 4.863 2.846 1.00 0.00 C ATOM 87 C PRO A 6 4.060 4.982 4.342 1.00 0.00 C ATOM 88 O PRO A 6 3.160 5.424 5.057 1.00 0.00 O ATOM 89 CB PRO A 6 3.543 6.199 2.167 1.00 0.00 C ATOM 90 CG PRO A 6 2.037 6.367 2.272 1.00 0.00 C ATOM 91 CD PRO A 6 1.506 4.940 2.308 1.00 0.00 C ATOM 0 HA PRO A 6 4.727 4.431 2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.069 7.015 2.662 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.870 6.193 1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.759 6.919 3.170 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.637 6.920 1.422 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.697 4.847 3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.100 4.655 1.338 1.00 0.00 H new ATOM 99 N VAL A 7 5.230 4.591 4.830 1.00 0.00 N ATOM 100 CA VAL A 7 5.560 4.668 6.248 1.00 0.00 C ATOM 101 C VAL A 7 6.683 5.671 6.427 1.00 0.00 C ATOM 102 O VAL A 7 7.421 5.971 5.487 1.00 0.00 O ATOM 103 CB VAL A 7 5.854 3.279 6.844 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.576 2.440 6.866 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.967 2.516 6.117 1.00 0.00 C ATOM 0 H VAL A 7 5.979 4.210 4.252 1.00 0.00 H new ATOM 0 HA VAL A 7 4.702 5.025 6.817 1.00 0.00 H new ATOM 0 HB VAL A 7 6.214 3.452 7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.792 1.459 7.289 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.823 2.940 7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.201 2.322 5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.116 1.548 6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.685 2.367 5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.892 3.090 6.164 1.00 0.00 H new ATOM 115 N SER A 8 6.772 6.239 7.624 1.00 0.00 N ATOM 116 CA SER A 8 7.760 7.255 7.926 1.00 0.00 C ATOM 117 C SER A 8 9.086 6.614 8.352 1.00 0.00 C ATOM 118 O SER A 8 10.123 7.271 8.275 1.00 0.00 O ATOM 119 CB SER A 8 7.190 8.197 8.993 1.00 0.00 C ATOM 120 OG SER A 8 7.637 9.523 8.816 1.00 0.00 O ATOM 0 H SER A 8 6.161 6.006 8.407 1.00 0.00 H new ATOM 0 HA SER A 8 7.980 7.843 7.035 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.101 8.173 8.954 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.482 7.844 9.982 1.00 0.00 H new ATOM 0 HG SER A 8 7.252 10.094 9.513 1.00 0.00 H new ATOM 126 N GLU A 9 9.066 5.345 8.779 1.00 0.00 N ATOM 127 CA GLU A 9 10.225 4.611 9.263 1.00 0.00 C ATOM 128 C GLU A 9 10.044 3.133 8.940 1.00 0.00 C ATOM 129 O GLU A 9 8.915 2.632 8.867 1.00 0.00 O ATOM 130 CB GLU A 9 10.374 4.769 10.779 1.00 0.00 C ATOM 131 CG GLU A 9 10.622 6.218 11.181 1.00 0.00 C ATOM 132 CD GLU A 9 10.984 6.310 12.656 1.00 0.00 C ATOM 133 OE1 GLU A 9 10.096 6.140 13.513 1.00 0.00 O ATOM 134 OE2 GLU A 9 12.193 6.396 12.969 1.00 0.00 O ATOM 0 H GLU A 9 8.211 4.789 8.795 1.00 0.00 H new ATOM 0 HA GLU A 9 11.117 5.006 8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.472 4.406 11.272 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.200 4.149 11.129 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.427 6.636 10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.731 6.814 10.982 1.00 0.00 H new ATOM 141 N ASN A 10 11.165 2.430 8.799 1.00 0.00 N ATOM 142 CA ASN A 10 11.188 1.061 8.273 1.00 0.00 C ATOM 143 C ASN A 10 11.135 0.030 9.394 1.00 0.00 C ATOM 144 O ASN A 10 12.082 -0.726 9.632 1.00 0.00 O ATOM 145 CB ASN A 10 12.360 0.839 7.305 1.00 0.00 C ATOM 146 CG ASN A 10 12.043 -0.301 6.344 1.00 0.00 C ATOM 147 OD1 ASN A 10 11.673 -0.060 5.209 1.00 0.00 O ATOM 148 ND2 ASN A 10 12.116 -1.551 6.763 1.00 0.00 N ATOM 0 H ASN A 10 12.086 2.791 9.046 1.00 0.00 H new ATOM 0 HA ASN A 10 10.283 0.918 7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.556 1.753 6.744 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.266 0.610 7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.863 -2.315 6.136 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.426 -1.753 7.714 1.00 0.00 H new ATOM 155 N ARG A 11 10.020 0.026 10.120 1.00 0.00 N ATOM 156 CA ARG A 11 9.882 -0.673 11.394 1.00 0.00 C ATOM 157 C ARG A 11 9.023 -1.930 11.256 1.00 0.00 C ATOM 158 O ARG A 11 8.156 -2.126 12.088 1.00 0.00 O ATOM 159 CB ARG A 11 9.302 0.287 12.450 1.00 0.00 C ATOM 160 CG ARG A 11 10.033 1.616 12.608 1.00 0.00 C ATOM 161 CD ARG A 11 9.445 2.339 13.831 1.00 0.00 C ATOM 162 NE ARG A 11 10.234 3.508 14.224 1.00 0.00 N ATOM 163 CZ ARG A 11 11.312 3.517 15.009 1.00 0.00 C ATOM 164 NH1 ARG A 11 11.760 2.390 15.550 1.00 0.00 N ATOM 165 NH2 ARG A 11 11.938 4.665 15.227 1.00 0.00 N ATOM 0 H ARG A 11 9.173 0.517 9.834 1.00 0.00 H new ATOM 0 HA ARG A 11 10.870 -1.000 11.719 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.263 0.493 12.195 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.299 -0.222 13.414 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.102 1.450 12.741 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.915 2.225 11.712 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.425 2.651 13.609 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.390 1.644 14.668 1.00 0.00 H new ATOM 0 HE ARG A 11 9.927 4.410 13.859 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.279 1.510 15.366 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.585 2.405 16.149 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.594 5.523 14.797 1.00 0.00 H new ATOM 0 HH22 ARG A 11 12.764 4.690 15.825 1.00 0.00 H new ATOM 179 N GLY A 12 9.186 -2.727 10.193 1.00 0.00 N ATOM 180 CA GLY A 12 8.548 -4.037 9.997 1.00 0.00 C ATOM 181 C GLY A 12 7.236 -4.254 10.764 1.00 0.00 C ATOM 182 O GLY A 12 7.249 -4.939 11.786 1.00 0.00 O ATOM 0 H GLY A 12 9.790 -2.467 9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.353 -4.171 8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.254 -4.813 10.292 1.00 0.00 H new ATOM 186 N LYS A 13 6.114 -3.730 10.244 1.00 0.00 N ATOM 187 CA LYS A 13 4.732 -3.761 10.778 1.00 0.00 C ATOM 188 C LYS A 13 4.496 -2.709 11.850 1.00 0.00 C ATOM 189 O LYS A 13 3.521 -1.965 11.729 1.00 0.00 O ATOM 190 CB LYS A 13 4.319 -5.117 11.374 1.00 0.00 C ATOM 191 CG LYS A 13 4.640 -6.300 10.457 1.00 0.00 C ATOM 192 CD LYS A 13 4.434 -7.650 11.140 1.00 0.00 C ATOM 193 CE LYS A 13 5.408 -7.797 12.306 1.00 0.00 C ATOM 194 NZ LYS A 13 5.305 -9.116 12.936 1.00 0.00 N ATOM 0 H LYS A 13 6.149 -3.226 9.358 1.00 0.00 H new ATOM 0 HA LYS A 13 4.121 -3.558 9.898 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.826 -5.257 12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.249 -5.105 11.581 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.010 -6.247 9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.674 -6.222 10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.408 -7.733 11.499 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.587 -8.457 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.427 -7.642 11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.208 -7.023 13.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.981 -9.178 13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.340 -9.254 13.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.521 -9.853 12.235 1.00 0.00 H new ATOM 208 N ASP A 14 5.399 -2.560 12.820 1.00 0.00 N ATOM 209 CA ASP A 14 5.468 -1.379 13.666 1.00 0.00 C ATOM 210 C ASP A 14 5.790 -0.102 12.859 1.00 0.00 C ATOM 211 O ASP A 14 5.825 0.989 13.430 1.00 0.00 O ATOM 212 CB ASP A 14 6.376 -1.556 14.907 1.00 0.00 C ATOM 213 CG ASP A 14 7.621 -2.443 14.874 1.00 0.00 C ATOM 214 OD1 ASP A 14 7.472 -3.675 14.724 1.00 0.00 O ATOM 215 OD2 ASP A 14 8.742 -1.929 15.112 1.00 0.00 O ATOM 0 H ASP A 14 6.105 -3.263 13.038 1.00 0.00 H new ATOM 0 HA ASP A 14 4.465 -1.245 14.072 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.706 -0.560 15.201 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.742 -1.932 15.710 1.00 0.00 H new ATOM 220 N SER A 15 5.966 -0.196 11.537 1.00 0.00 N ATOM 221 CA SER A 15 6.064 0.874 10.552 1.00 0.00 C ATOM 222 C SER A 15 4.895 1.874 10.675 1.00 0.00 C ATOM 223 O SER A 15 3.765 1.512 10.339 1.00 0.00 O ATOM 224 CB SER A 15 6.128 0.226 9.169 1.00 0.00 C ATOM 225 OG SER A 15 6.997 -0.891 9.097 1.00 0.00 O ATOM 0 H SER A 15 6.051 -1.111 11.093 1.00 0.00 H new ATOM 0 HA SER A 15 6.966 1.462 10.724 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.125 -0.087 8.879 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.451 0.973 8.444 1.00 0.00 H new ATOM 0 HG SER A 15 7.239 -1.058 8.162 1.00 0.00 H new ATOM 231 N PRO A 16 5.109 3.110 11.172 1.00 0.00 N ATOM 232 CA PRO A 16 4.043 4.096 11.340 1.00 0.00 C ATOM 233 C PRO A 16 3.783 4.827 10.015 1.00 0.00 C ATOM 234 O PRO A 16 4.728 5.320 9.384 1.00 0.00 O ATOM 235 CB PRO A 16 4.565 5.035 12.430 1.00 0.00 C ATOM 236 CG PRO A 16 6.079 5.051 12.200 1.00 0.00 C ATOM 237 CD PRO A 16 6.367 3.636 11.693 1.00 0.00 C ATOM 0 HA PRO A 16 3.087 3.655 11.622 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.135 6.033 12.339 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.315 4.670 13.426 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.368 5.807 11.470 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.624 5.269 13.118 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.131 3.652 10.915 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.745 3.006 12.498 1.00 0.00 H new ATOM 245 N ILE A 17 2.525 4.926 9.587 1.00 0.00 N ATOM 246 CA ILE A 17 2.118 5.507 8.306 1.00 0.00 C ATOM 247 C ILE A 17 2.539 6.988 8.181 1.00 0.00 C ATOM 248 O ILE A 17 2.395 7.785 9.113 1.00 0.00 O ATOM 249 CB ILE A 17 0.606 5.251 8.108 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.142 5.562 6.673 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.239 6.023 9.123 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.288 5.105 6.378 1.00 0.00 C ATOM 0 H ILE A 17 1.735 4.594 10.140 1.00 0.00 H new ATOM 0 HA ILE A 17 2.644 5.019 7.486 1.00 0.00 H new ATOM 0 HB ILE A 17 0.454 4.185 8.279 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.214 6.636 6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.821 5.081 5.969 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.295 5.816 8.950 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.031 5.712 10.132 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.056 7.092 9.011 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.546 5.357 5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.361 4.026 6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.977 5.605 7.058 1.00 0.00 H new ATOM 264 N SER A 18 3.102 7.358 7.031 1.00 0.00 N ATOM 265 CA SER A 18 3.409 8.726 6.632 1.00 0.00 C ATOM 266 C SER A 18 2.107 9.474 6.353 1.00 0.00 C ATOM 267 O SER A 18 1.048 8.872 6.159 1.00 0.00 O ATOM 268 CB SER A 18 4.222 8.688 5.334 1.00 0.00 C ATOM 269 OG SER A 18 4.756 9.954 4.983 1.00 0.00 O ATOM 0 H SER A 18 3.368 6.677 6.320 1.00 0.00 H new ATOM 0 HA SER A 18 3.968 9.223 7.425 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.037 7.972 5.442 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.588 8.329 4.524 1.00 0.00 H new ATOM 0 HG SER A 18 5.266 9.874 4.150 1.00 0.00 H new ATOM 275 N GLU A 19 2.194 10.790 6.188 1.00 0.00 N ATOM 276 CA GLU A 19 1.031 11.584 5.802 1.00 0.00 C ATOM 277 C GLU A 19 0.951 11.740 4.292 1.00 0.00 C ATOM 278 O GLU A 19 -0.107 12.029 3.723 1.00 0.00 O ATOM 279 CB GLU A 19 1.054 12.997 6.393 1.00 0.00 C ATOM 280 CG GLU A 19 1.436 13.074 7.870 1.00 0.00 C ATOM 281 CD GLU A 19 2.945 13.161 8.109 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.762 12.908 7.194 1.00 0.00 O ATOM 283 OE2 GLU A 19 3.325 13.597 9.221 1.00 0.00 O ATOM 0 H GLU A 19 3.052 11.327 6.314 1.00 0.00 H new ATOM 0 HA GLU A 19 0.171 11.039 6.191 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.756 13.603 5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.068 13.444 6.265 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.955 13.945 8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.045 12.196 8.384 1.00 0.00 H new ATOM 290 N HIS A 20 2.106 11.589 3.656 1.00 0.00 N ATOM 291 CA HIS A 20 2.329 11.867 2.260 1.00 0.00 C ATOM 292 C HIS A 20 2.495 10.523 1.570 1.00 0.00 C ATOM 293 O HIS A 20 2.522 9.471 2.209 1.00 0.00 O ATOM 294 CB HIS A 20 3.539 12.813 2.144 1.00 0.00 C ATOM 295 CG HIS A 20 3.442 13.980 3.102 1.00 0.00 C ATOM 296 ND1 HIS A 20 2.492 14.985 3.059 1.00 0.00 N ATOM 297 CD2 HIS A 20 4.192 14.147 4.236 1.00 0.00 C ATOM 298 CE1 HIS A 20 2.698 15.769 4.136 1.00 0.00 C ATOM 299 NE2 HIS A 20 3.726 15.286 4.860 1.00 0.00 N ATOM 0 H HIS A 20 2.945 11.254 4.129 1.00 0.00 H new ATOM 0 HA HIS A 20 1.504 12.383 1.770 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.455 12.256 2.343 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.609 13.188 1.123 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.994 13.509 4.576 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.125 16.651 4.381 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.096 15.692 5.720 1.00 0.00 H new ATOM 308 N PHE A 21 2.531 10.553 0.246 1.00 0.00 N ATOM 309 CA PHE A 21 2.901 9.400 -0.556 1.00 0.00 C ATOM 310 C PHE A 21 4.110 9.769 -1.392 1.00 0.00 C ATOM 311 O PHE A 21 5.160 9.152 -1.273 1.00 0.00 O ATOM 312 CB PHE A 21 1.708 8.947 -1.389 1.00 0.00 C ATOM 313 CG PHE A 21 2.088 7.990 -2.495 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.231 6.619 -2.222 1.00 0.00 C ATOM 315 CD2 PHE A 21 2.377 8.488 -3.781 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.670 5.756 -3.240 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.819 7.625 -4.794 1.00 0.00 C ATOM 318 CZ PHE A 21 2.970 6.258 -4.520 1.00 0.00 C ATOM 0 H PHE A 21 2.303 11.382 -0.303 1.00 0.00 H new ATOM 0 HA PHE A 21 3.176 8.551 0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.978 8.468 -0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.223 9.821 -1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.006 6.232 -1.239 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.257 9.541 -3.988 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.778 4.700 -3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.042 8.010 -5.778 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.317 5.589 -5.293 1.00 0.00 H new ATOM 328 N GLY A 22 3.974 10.821 -2.204 1.00 0.00 N ATOM 329 CA GLY A 22 4.952 11.155 -3.229 1.00 0.00 C ATOM 330 C GLY A 22 6.331 11.568 -2.720 1.00 0.00 C ATOM 331 O GLY A 22 7.190 11.835 -3.556 1.00 0.00 O ATOM 0 H GLY A 22 3.181 11.462 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.071 10.293 -3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.551 11.966 -3.837 1.00 0.00 H new ATOM 335 N ARG A 23 6.544 11.662 -1.403 1.00 0.00 N ATOM 336 CA ARG A 23 7.855 11.834 -0.780 1.00 0.00 C ATOM 337 C ARG A 23 7.885 11.036 0.534 1.00 0.00 C ATOM 338 O ARG A 23 8.468 11.490 1.523 1.00 0.00 O ATOM 339 CB ARG A 23 8.049 13.325 -0.422 1.00 0.00 C ATOM 340 CG ARG A 23 7.639 14.445 -1.393 1.00 0.00 C ATOM 341 CD ARG A 23 8.824 15.075 -2.138 1.00 0.00 C ATOM 342 NE ARG A 23 8.608 16.525 -2.317 1.00 0.00 N ATOM 343 CZ ARG A 23 9.559 17.467 -2.266 1.00 0.00 C ATOM 344 NH1 ARG A 23 10.842 17.162 -2.393 1.00 0.00 N ATOM 345 NH2 ARG A 23 9.235 18.738 -2.086 1.00 0.00 N ATOM 0 H ARG A 23 5.784 11.619 -0.724 1.00 0.00 H new ATOM 0 HA ARG A 23 8.633 11.494 -1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.510 13.500 0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.109 13.464 -0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.934 14.043 -2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.115 15.223 -0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.745 14.904 -1.580 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.947 14.597 -3.110 1.00 0.00 H new ATOM 0 HE ARG A 23 7.653 16.836 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.124 16.192 -2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.548 17.897 -2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.256 19.005 -1.985 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.965 19.450 -2.048 1.00 0.00 H new ATOM 359 N ALA A 24 7.285 9.848 0.574 1.00 0.00 N ATOM 360 CA ALA A 24 7.426 8.967 1.726 1.00 0.00 C ATOM 361 C ALA A 24 8.896 8.484 1.727 1.00 0.00 C ATOM 362 O ALA A 24 9.507 8.433 0.656 1.00 0.00 O ATOM 363 CB ALA A 24 6.486 7.778 1.556 1.00 0.00 C ATOM 0 H ALA A 24 6.700 9.477 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 24 7.180 9.472 2.660 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.583 7.112 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.458 8.134 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.744 7.238 0.645 1.00 0.00 H new ATOM 369 N PRO A 25 9.478 8.141 2.883 1.00 0.00 N ATOM 370 CA PRO A 25 10.804 7.540 2.951 1.00 0.00 C ATOM 371 C PRO A 25 10.810 6.029 2.670 1.00 0.00 C ATOM 372 O PRO A 25 11.874 5.509 2.325 1.00 0.00 O ATOM 373 CB PRO A 25 11.298 7.842 4.366 1.00 0.00 C ATOM 374 CG PRO A 25 10.025 7.976 5.188 1.00 0.00 C ATOM 375 CD PRO A 25 9.009 8.528 4.195 1.00 0.00 C ATOM 0 HA PRO A 25 11.451 7.954 2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.934 7.042 4.745 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.888 8.758 4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.707 7.015 5.593 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.164 8.649 6.034 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.016 8.123 4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.933 9.612 4.277 1.00 0.00 H new ATOM 383 N TYR A 26 9.677 5.328 2.809 1.00 0.00 N ATOM 384 CA TYR A 26 9.553 3.888 2.590 1.00 0.00 C ATOM 385 C TYR A 26 8.121 3.557 2.178 1.00 0.00 C ATOM 386 O TYR A 26 7.182 4.261 2.568 1.00 0.00 O ATOM 387 CB TYR A 26 9.840 3.127 3.891 1.00 0.00 C ATOM 388 CG TYR A 26 11.162 3.443 4.543 1.00 0.00 C ATOM 389 CD1 TYR A 26 12.320 2.769 4.127 1.00 0.00 C ATOM 390 CD2 TYR A 26 11.235 4.442 5.533 1.00 0.00 C ATOM 391 CE1 TYR A 26 13.570 3.124 4.652 1.00 0.00 C ATOM 392 CE2 TYR A 26 12.472 4.785 6.092 1.00 0.00 C ATOM 393 CZ TYR A 26 13.641 4.138 5.638 1.00 0.00 C ATOM 394 OH TYR A 26 14.829 4.499 6.177 1.00 0.00 O ATOM 0 H TYR A 26 8.797 5.764 3.085 1.00 0.00 H new ATOM 0 HA TYR A 26 10.262 3.598 1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.042 3.342 4.602 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.802 2.058 3.683 1.00 0.00 H new ATOM 0 HD1 TYR A 26 12.248 1.974 3.400 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.337 4.944 5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 26 14.467 2.631 4.309 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.531 5.538 6.864 1.00 0.00 H new ATOM 0 HH TYR A 26 14.687 5.210 6.836 1.00 0.00 H new ATOM 404 N PHE A 27 7.938 2.422 1.501 1.00 0.00 N ATOM 405 CA PHE A 27 6.645 1.873 1.126 1.00 0.00 C ATOM 406 C PHE A 27 6.548 0.464 1.705 1.00 0.00 C ATOM 407 O PHE A 27 7.186 -0.458 1.207 1.00 0.00 O ATOM 408 CB PHE A 27 6.477 1.866 -0.404 1.00 0.00 C ATOM 409 CG PHE A 27 6.342 3.223 -1.100 1.00 0.00 C ATOM 410 CD1 PHE A 27 5.802 4.353 -0.457 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.677 3.335 -2.457 1.00 0.00 C ATOM 412 CE1 PHE A 27 5.481 5.512 -1.181 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.338 4.485 -3.198 1.00 0.00 C ATOM 414 CZ PHE A 27 5.723 5.573 -2.559 1.00 0.00 C ATOM 0 H PHE A 27 8.718 1.843 1.190 1.00 0.00 H new ATOM 0 HA PHE A 27 5.841 2.490 1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.334 1.349 -0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.594 1.274 -0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.632 4.328 0.609 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.204 2.527 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.046 6.360 -0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.551 4.529 -4.256 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.439 6.448 -3.124 1.00 0.00 H new ATOM 424 N ALA A 28 5.715 0.289 2.732 1.00 0.00 N ATOM 425 CA ALA A 28 5.274 -1.008 3.218 1.00 0.00 C ATOM 426 C ALA A 28 4.175 -1.460 2.269 1.00 0.00 C ATOM 427 O ALA A 28 3.003 -1.159 2.480 1.00 0.00 O ATOM 428 CB ALA A 28 4.741 -0.879 4.653 1.00 0.00 C ATOM 0 H ALA A 28 5.321 1.069 3.259 1.00 0.00 H new ATOM 0 HA ALA A 28 6.090 -1.731 3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.413 -1.856 5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.532 -0.503 5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.900 -0.186 4.668 1.00 0.00 H new ATOM 434 N PHE A 29 4.552 -2.126 1.183 1.00 0.00 N ATOM 435 CA PHE A 29 3.621 -2.998 0.497 1.00 0.00 C ATOM 436 C PHE A 29 3.402 -4.219 1.399 1.00 0.00 C ATOM 437 O PHE A 29 4.307 -4.681 2.097 1.00 0.00 O ATOM 438 CB PHE A 29 4.122 -3.323 -0.922 1.00 0.00 C ATOM 439 CG PHE A 29 3.533 -2.451 -2.043 1.00 0.00 C ATOM 440 CD1 PHE A 29 2.135 -2.342 -2.225 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.371 -1.768 -2.951 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.586 -1.511 -3.213 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.810 -1.032 -4.021 1.00 0.00 C ATOM 444 CZ PHE A 29 2.420 -0.853 -4.123 1.00 0.00 C ATOM 0 H PHE A 29 5.482 -2.077 0.768 1.00 0.00 H new ATOM 0 HA PHE A 29 2.654 -2.523 0.333 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.207 -3.222 -0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.895 -4.367 -1.139 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.474 -2.912 -1.588 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.443 -1.808 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.516 -1.379 -3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.459 -0.602 -4.770 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.003 -0.218 -4.891 1.00 0.00 H new ATOM 454 N VAL A 30 2.175 -4.720 1.425 1.00 0.00 N ATOM 455 CA VAL A 30 1.722 -5.855 2.214 1.00 0.00 C ATOM 456 C VAL A 30 0.823 -6.651 1.291 1.00 0.00 C ATOM 457 O VAL A 30 0.073 -6.059 0.524 1.00 0.00 O ATOM 458 CB VAL A 30 0.931 -5.381 3.457 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.725 -6.541 4.442 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.595 -4.197 4.180 1.00 0.00 C ATOM 0 H VAL A 30 1.425 -4.320 0.862 1.00 0.00 H new ATOM 0 HA VAL A 30 2.560 -6.447 2.582 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.034 -5.033 3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.167 -6.187 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.167 -7.339 3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.694 -6.921 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.992 -3.912 5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.591 -4.487 4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.673 -3.351 3.497 1.00 0.00 H new ATOM 470 N LYS A 31 0.906 -7.971 1.293 1.00 0.00 N ATOM 471 CA LYS A 31 0.079 -8.781 0.410 1.00 0.00 C ATOM 472 C LYS A 31 -1.282 -9.017 1.060 1.00 0.00 C ATOM 473 O LYS A 31 -1.643 -8.365 2.041 1.00 0.00 O ATOM 474 CB LYS A 31 0.869 -10.031 0.006 1.00 0.00 C ATOM 475 CG LYS A 31 2.070 -9.620 -0.848 1.00 0.00 C ATOM 476 CD LYS A 31 2.472 -10.701 -1.853 1.00 0.00 C ATOM 477 CE LYS A 31 1.578 -10.622 -3.096 1.00 0.00 C ATOM 478 NZ LYS A 31 1.648 -11.845 -3.910 1.00 0.00 N ATOM 0 H LYS A 31 1.535 -8.504 1.893 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.155 -8.277 -0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.206 -10.564 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.229 -10.714 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.833 -8.701 -1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.916 -9.401 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.516 -10.574 -2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.384 -11.686 -1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.546 -10.451 -2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.876 -9.767 -3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.028 -11.746 -4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.627 -11.996 -4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.338 -12.659 -3.341 1.00 0.00 H new ATOM 492 N VAL A 32 -2.057 -9.932 0.484 1.00 0.00 N ATOM 493 CA VAL A 32 -3.195 -10.562 1.129 1.00 0.00 C ATOM 494 C VAL A 32 -3.191 -12.020 0.658 1.00 0.00 C ATOM 495 O VAL A 32 -2.862 -12.296 -0.501 1.00 0.00 O ATOM 496 CB VAL A 32 -4.525 -9.835 0.800 1.00 0.00 C ATOM 497 CG1 VAL A 32 -5.747 -10.406 1.537 1.00 0.00 C ATOM 498 CG2 VAL A 32 -4.504 -8.338 1.140 1.00 0.00 C ATOM 0 H VAL A 32 -1.903 -10.261 -0.469 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.115 -10.507 2.215 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.615 -9.994 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.638 -9.845 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.878 -11.454 1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.594 -10.325 2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.466 -7.893 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.317 -8.210 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.714 -7.847 0.571 1.00 0.00 H new ATOM 508 N LYS A 33 -3.552 -12.944 1.547 1.00 0.00 N ATOM 509 CA LYS A 33 -3.838 -14.357 1.295 1.00 0.00 C ATOM 510 C LYS A 33 -5.037 -14.681 2.150 1.00 0.00 C ATOM 511 O LYS A 33 -4.992 -14.385 3.337 1.00 0.00 O ATOM 512 CB LYS A 33 -2.642 -15.232 1.720 1.00 0.00 C ATOM 513 CG LYS A 33 -2.907 -16.716 2.054 1.00 0.00 C ATOM 514 CD LYS A 33 -2.570 -17.101 3.506 1.00 0.00 C ATOM 515 CE LYS A 33 -3.484 -16.471 4.557 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.000 -16.752 5.928 1.00 0.00 N ATOM 0 H LYS A 33 -3.660 -12.709 2.534 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.021 -14.548 0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.903 -15.198 0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.186 -14.770 2.595 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.957 -16.939 1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.322 -17.340 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.620 -18.186 3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.541 -16.810 3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.534 -15.393 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.497 -16.857 4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.640 -16.312 6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.976 -17.780 6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.043 -16.362 6.045 1.00 0.00 H new ATOM 530 N ASN A 34 -6.037 -15.364 1.604 1.00 0.00 N ATOM 531 CA ASN A 34 -7.243 -15.823 2.287 1.00 0.00 C ATOM 532 C ASN A 34 -7.691 -14.867 3.410 1.00 0.00 C ATOM 533 O ASN A 34 -7.790 -15.278 4.564 1.00 0.00 O ATOM 534 CB ASN A 34 -7.117 -17.307 2.701 1.00 0.00 C ATOM 535 CG ASN A 34 -6.991 -18.228 1.487 1.00 0.00 C ATOM 536 OD1 ASN A 34 -7.914 -18.330 0.676 1.00 0.00 O ATOM 537 ND2 ASN A 34 -5.865 -18.896 1.298 1.00 0.00 N ATOM 0 H ASN A 34 -6.028 -15.627 0.619 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.070 -15.789 1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.246 -17.432 3.344 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.989 -17.596 3.287 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.759 -19.497 0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.102 -18.810 1.970 1.00 0.00 H new ATOM 544 N ASN A 35 -7.935 -13.592 3.072 1.00 0.00 N ATOM 545 CA ASN A 35 -8.349 -12.479 3.955 1.00 0.00 C ATOM 546 C ASN A 35 -7.365 -12.073 5.066 1.00 0.00 C ATOM 547 O ASN A 35 -7.744 -11.332 5.977 1.00 0.00 O ATOM 548 CB ASN A 35 -9.751 -12.695 4.559 1.00 0.00 C ATOM 549 CG ASN A 35 -10.630 -11.476 4.305 1.00 0.00 C ATOM 550 OD1 ASN A 35 -11.170 -11.343 3.210 1.00 0.00 O ATOM 551 ND2 ASN A 35 -10.768 -10.548 5.236 1.00 0.00 N ATOM 0 H ASN A 35 -7.843 -13.284 2.104 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.362 -11.637 3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.211 -13.581 4.121 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.669 -12.876 5.631 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.326 -9.715 5.047 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.317 -10.665 6.143 1.00 0.00 H new ATOM 558 N ALA A 36 -6.120 -12.540 5.018 1.00 0.00 N ATOM 559 CA ALA A 36 -5.052 -12.247 5.967 1.00 0.00 C ATOM 560 C ALA A 36 -3.852 -11.648 5.222 1.00 0.00 C ATOM 561 O ALA A 36 -3.910 -11.519 4.003 1.00 0.00 O ATOM 562 CB ALA A 36 -4.647 -13.521 6.711 1.00 0.00 C ATOM 0 H ALA A 36 -5.814 -13.167 4.275 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.407 -11.522 6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.849 -13.292 7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.507 -13.916 7.251 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.296 -14.264 5.995 1.00 0.00 H new ATOM 568 N ILE A 37 -2.757 -11.314 5.910 1.00 0.00 N ATOM 569 CA ILE A 37 -1.681 -10.452 5.418 1.00 0.00 C ATOM 570 C ILE A 37 -0.894 -11.058 4.253 1.00 0.00 C ATOM 571 O ILE A 37 -0.290 -10.307 3.498 1.00 0.00 O ATOM 572 CB ILE A 37 -0.774 -10.071 6.629 1.00 0.00 C ATOM 573 CG1 ILE A 37 -1.165 -8.703 7.222 1.00 0.00 C ATOM 574 CG2 ILE A 37 0.736 -10.034 6.337 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.536 -8.679 7.899 1.00 0.00 C ATOM 0 H ILE A 37 -2.590 -11.649 6.859 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.120 -9.550 4.990 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.952 -10.882 7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.409 -8.406 7.949 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.153 -7.958 6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.275 -9.759 7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.066 -11.017 6.002 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.938 -9.299 5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.732 -7.680 8.288 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.305 -8.943 7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.550 -9.397 8.719 1.00 0.00 H new ATOM 587 N ALA A 38 -0.870 -12.385 4.077 1.00 0.00 N ATOM 588 CA ALA A 38 0.142 -13.103 3.292 1.00 0.00 C ATOM 589 C ALA A 38 1.574 -12.781 3.745 1.00 0.00 C ATOM 590 O ALA A 38 2.214 -13.627 4.369 1.00 0.00 O ATOM 591 CB ALA A 38 -0.020 -12.864 1.783 1.00 0.00 C ATOM 0 H ALA A 38 -1.570 -13.004 4.486 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.029 -14.163 3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.750 -13.415 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.004 -13.208 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.079 -11.799 1.571 1.00 0.00 H new ATOM 597 N ASP A 39 2.080 -11.597 3.410 1.00 0.00 N ATOM 598 CA ASP A 39 3.497 -11.234 3.374 1.00 0.00 C ATOM 599 C ASP A 39 3.681 -9.724 3.526 1.00 0.00 C ATOM 600 O ASP A 39 2.776 -8.954 3.211 1.00 0.00 O ATOM 601 CB ASP A 39 4.084 -11.670 2.021 1.00 0.00 C ATOM 602 CG ASP A 39 4.824 -12.992 2.157 1.00 0.00 C ATOM 603 OD1 ASP A 39 5.824 -13.045 2.904 1.00 0.00 O ATOM 604 OD2 ASP A 39 4.383 -13.978 1.526 1.00 0.00 O ATOM 0 H ASP A 39 1.478 -10.819 3.140 1.00 0.00 H new ATOM 0 HA ASP A 39 4.006 -11.732 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.284 -11.769 1.287 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.764 -10.903 1.650 1.00 0.00 H new ATOM 609 N ILE A 40 4.878 -9.280 3.912 1.00 0.00 N ATOM 610 CA ILE A 40 5.249 -7.885 4.172 1.00 0.00 C ATOM 611 C ILE A 40 6.470 -7.577 3.286 1.00 0.00 C ATOM 612 O ILE A 40 7.392 -8.390 3.191 1.00 0.00 O ATOM 613 CB ILE A 40 5.531 -7.720 5.692 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.253 -7.714 6.580 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.423 -6.516 6.037 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.559 -6.352 6.788 1.00 0.00 C ATOM 0 H ILE A 40 5.659 -9.919 4.060 1.00 0.00 H new ATOM 0 HA ILE A 40 4.457 -7.177 3.925 1.00 0.00 H new ATOM 0 HB ILE A 40 6.091 -8.623 5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.530 -8.400 6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.517 -8.114 7.559 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.572 -6.471 7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.388 -6.624 5.542 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.942 -5.598 5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.683 -6.483 7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.253 -5.659 7.264 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.250 -5.950 5.823 1.00 0.00 H new ATOM 628 N SER A 41 6.445 -6.423 2.621 1.00 0.00 N ATOM 629 CA SER A 41 7.441 -5.875 1.726 1.00 0.00 C ATOM 630 C SER A 41 7.541 -4.382 2.032 1.00 0.00 C ATOM 631 O SER A 41 7.038 -3.546 1.282 1.00 0.00 O ATOM 632 CB SER A 41 6.960 -6.120 0.295 1.00 0.00 C ATOM 633 OG SER A 41 7.082 -7.492 -0.057 1.00 0.00 O ATOM 0 H SER A 41 5.647 -5.795 2.710 1.00 0.00 H new ATOM 0 HA SER A 41 8.422 -6.334 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.920 -5.808 0.199 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.541 -5.511 -0.397 1.00 0.00 H new ATOM 0 HG SER A 41 6.767 -7.623 -0.976 1.00 0.00 H new ATOM 639 N VAL A 42 8.130 -4.037 3.177 1.00 0.00 N ATOM 640 CA VAL A 42 8.583 -2.680 3.426 1.00 0.00 C ATOM 641 C VAL A 42 9.876 -2.529 2.648 1.00 0.00 C ATOM 642 O VAL A 42 10.926 -3.051 3.028 1.00 0.00 O ATOM 643 CB VAL A 42 8.677 -2.330 4.921 1.00 0.00 C ATOM 644 CG1 VAL A 42 8.605 -0.809 5.114 1.00 0.00 C ATOM 645 CG2 VAL A 42 7.606 -3.000 5.798 1.00 0.00 C ATOM 0 H VAL A 42 8.302 -4.685 3.945 1.00 0.00 H new ATOM 0 HA VAL A 42 7.856 -1.946 3.079 1.00 0.00 H new ATOM 0 HB VAL A 42 9.639 -2.722 5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.672 -0.573 6.176 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.431 -0.335 4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.660 -0.436 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.746 -2.699 6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.616 -2.693 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.696 -4.083 5.719 1.00 0.00 H new ATOM 655 N GLU A 43 9.740 -1.941 1.469 1.00 0.00 N ATOM 656 CA GLU A 43 10.838 -1.562 0.614 1.00 0.00 C ATOM 657 C GLU A 43 11.145 -0.081 0.870 1.00 0.00 C ATOM 658 O GLU A 43 10.305 0.684 1.361 1.00 0.00 O ATOM 659 CB GLU A 43 10.460 -1.818 -0.858 1.00 0.00 C ATOM 660 CG GLU A 43 9.897 -3.224 -1.160 1.00 0.00 C ATOM 661 CD GLU A 43 10.830 -4.380 -0.776 1.00 0.00 C ATOM 662 OE1 GLU A 43 11.940 -4.485 -1.352 1.00 0.00 O ATOM 663 OE2 GLU A 43 10.442 -5.239 0.049 1.00 0.00 O ATOM 0 H GLU A 43 8.828 -1.710 1.074 1.00 0.00 H new ATOM 0 HA GLU A 43 11.728 -2.154 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.721 -1.076 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.344 -1.658 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.953 -3.345 -0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.675 -3.291 -2.225 1.00 0.00 H new ATOM 670 N GLU A 44 12.355 0.325 0.500 1.00 0.00 N ATOM 671 CA GLU A 44 12.782 1.711 0.409 1.00 0.00 C ATOM 672 C GLU A 44 11.878 2.499 -0.547 1.00 0.00 C ATOM 673 O GLU A 44 11.195 1.931 -1.405 1.00 0.00 O ATOM 674 CB GLU A 44 14.225 1.709 -0.114 1.00 0.00 C ATOM 675 CG GLU A 44 15.252 1.201 0.915 1.00 0.00 C ATOM 676 CD GLU A 44 16.525 0.650 0.259 1.00 0.00 C ATOM 677 OE1 GLU A 44 16.980 1.170 -0.789 1.00 0.00 O ATOM 678 OE2 GLU A 44 17.084 -0.345 0.778 1.00 0.00 O ATOM 0 H GLU A 44 13.093 -0.332 0.246 1.00 0.00 H new ATOM 0 HA GLU A 44 12.720 2.189 1.386 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.278 1.086 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.495 2.721 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.519 2.015 1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.795 0.421 1.524 1.00 0.00 H new ATOM 685 N ASN A 45 11.946 3.829 -0.458 1.00 0.00 N ATOM 686 CA ASN A 45 11.514 4.716 -1.528 1.00 0.00 C ATOM 687 C ASN A 45 12.767 5.125 -2.301 1.00 0.00 C ATOM 688 O ASN A 45 13.428 6.089 -1.902 1.00 0.00 O ATOM 689 CB ASN A 45 10.768 5.941 -0.987 1.00 0.00 C ATOM 690 CG ASN A 45 9.278 5.818 -1.152 1.00 0.00 C ATOM 691 OD1 ASN A 45 8.551 5.611 -0.194 1.00 0.00 O ATOM 692 ND2 ASN A 45 8.784 5.931 -2.370 1.00 0.00 N ATOM 0 H ASN A 45 12.304 4.318 0.363 1.00 0.00 H new ATOM 0 HA ASN A 45 10.807 4.203 -2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.005 6.072 0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.117 6.834 -1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.779 5.845 -2.523 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.407 6.104 -3.159 1.00 0.00 H new ATOM 699 N PRO A 46 13.103 4.450 -3.415 1.00 0.00 N ATOM 700 CA PRO A 46 14.320 4.715 -4.173 1.00 0.00 C ATOM 701 C PRO A 46 14.285 6.055 -4.918 1.00 0.00 C ATOM 702 O PRO A 46 15.209 6.344 -5.670 1.00 0.00 O ATOM 703 CB PRO A 46 14.491 3.514 -5.116 1.00 0.00 C ATOM 704 CG PRO A 46 13.065 3.013 -5.316 1.00 0.00 C ATOM 705 CD PRO A 46 12.435 3.277 -3.953 1.00 0.00 C ATOM 0 HA PRO A 46 15.177 4.818 -3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.950 3.807 -6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 46 15.128 2.746 -4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.552 3.552 -6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 46 13.038 1.955 -5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.363 3.449 -4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 46 12.563 2.419 -3.293 1.00 0.00 H new ATOM 713 N LEU A 47 13.233 6.867 -4.767 1.00 0.00 N ATOM 714 CA LEU A 47 13.145 8.234 -5.286 1.00 0.00 C ATOM 715 C LEU A 47 12.495 9.137 -4.216 1.00 0.00 C ATOM 716 O LEU A 47 11.715 10.029 -4.563 1.00 0.00 O ATOM 717 CB LEU A 47 12.258 8.258 -6.560 1.00 0.00 C ATOM 718 CG LEU A 47 12.620 7.544 -7.871 1.00 0.00 C ATOM 719 CD1 LEU A 47 13.956 8.013 -8.430 1.00 0.00 C ATOM 720 CD2 LEU A 47 12.519 6.017 -7.846 1.00 0.00 C ATOM 0 H LEU A 47 12.393 6.581 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 47 14.146 8.591 -5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.284 7.870 -6.261 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.118 9.309 -6.814 1.00 0.00 H new ATOM 0 HG LEU A 47 11.832 7.851 -8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.170 7.481 -9.357 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.912 9.084 -8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.745 7.811 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.796 5.618 -8.822 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.193 5.620 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.496 5.724 -7.612 1.00 0.00 H new ATOM 732 N ALA A 48 12.806 8.963 -2.924 1.00 0.00 N ATOM 733 CA ALA A 48 12.102 9.652 -1.832 1.00 0.00 C ATOM 734 C ALA A 48 12.168 11.167 -1.993 1.00 0.00 C ATOM 735 O ALA A 48 11.170 11.855 -1.752 1.00 0.00 O ATOM 736 CB ALA A 48 12.682 9.261 -0.470 1.00 0.00 C ATOM 0 H ALA A 48 13.551 8.342 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 48 11.059 9.340 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.143 9.785 0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.580 8.185 -0.326 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.737 9.534 -0.432 1.00 0.00 H new ATOM 742 N GLN A 49 13.302 11.692 -2.470 1.00 0.00 N ATOM 743 CA GLN A 49 13.434 13.117 -2.729 1.00 0.00 C ATOM 744 C GLN A 49 14.360 13.444 -3.908 1.00 0.00 C ATOM 745 O GLN A 49 14.719 14.615 -4.062 1.00 0.00 O ATOM 746 CB GLN A 49 13.865 13.841 -1.431 1.00 0.00 C ATOM 747 CG GLN A 49 13.104 15.165 -1.302 1.00 0.00 C ATOM 748 CD GLN A 49 13.601 16.054 -0.168 1.00 0.00 C ATOM 749 OE1 GLN A 49 13.310 15.815 0.999 1.00 0.00 O ATOM 750 NE2 GLN A 49 14.297 17.136 -0.476 1.00 0.00 N ATOM 0 H GLN A 49 14.137 11.146 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 49 12.456 13.487 -3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.664 13.209 -0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.939 14.027 -1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.184 15.712 -2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.046 14.951 -1.147 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.536 17.329 -1.449 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.595 17.777 0.259 1.00 0.00 H new ATOM 759 N ASP A 50 14.744 12.479 -4.752 1.00 0.00 N ATOM 760 CA ASP A 50 15.924 12.636 -5.606 1.00 0.00 C ATOM 761 C ASP A 50 15.569 12.581 -7.084 1.00 0.00 C ATOM 762 O ASP A 50 14.959 11.608 -7.528 1.00 0.00 O ATOM 763 CB ASP A 50 16.997 11.601 -5.258 1.00 0.00 C ATOM 764 CG ASP A 50 18.384 12.250 -5.220 1.00 0.00 C ATOM 765 OD1 ASP A 50 18.556 13.257 -4.488 1.00 0.00 O ATOM 766 OD2 ASP A 50 19.300 11.798 -5.944 1.00 0.00 O ATOM 0 H ASP A 50 14.258 11.589 -4.861 1.00 0.00 H new ATOM 0 HA ASP A 50 16.333 13.627 -5.411 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.774 11.150 -4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 50 16.986 10.797 -5.994 1.00 0.00 H new ATOM 771 N HIS A 51 15.900 13.649 -7.821 1.00 0.00 N ATOM 772 CA HIS A 51 15.589 13.993 -9.221 1.00 0.00 C ATOM 773 C HIS A 51 14.096 13.998 -9.600 1.00 0.00 C ATOM 774 O HIS A 51 13.697 14.751 -10.489 1.00 0.00 O ATOM 775 CB HIS A 51 16.461 13.164 -10.187 1.00 0.00 C ATOM 776 CG HIS A 51 16.852 13.914 -11.441 1.00 0.00 C ATOM 777 ND1 HIS A 51 16.646 13.508 -12.751 1.00 0.00 N ATOM 778 CD2 HIS A 51 17.587 15.071 -11.468 1.00 0.00 C ATOM 779 CE1 HIS A 51 17.240 14.417 -13.552 1.00 0.00 C ATOM 780 NE2 HIS A 51 17.808 15.377 -12.796 1.00 0.00 N ATOM 0 H HIS A 51 16.463 14.387 -7.399 1.00 0.00 H new ATOM 0 HA HIS A 51 15.854 15.045 -9.327 1.00 0.00 H new ATOM 0 HB2 HIS A 51 17.364 12.846 -9.667 1.00 0.00 H new ATOM 0 HB3 HIS A 51 15.920 12.260 -10.467 1.00 0.00 H new ATOM 0 HD2 HIS A 51 17.928 15.636 -10.613 1.00 0.00 H new ATOM 0 HE1 HIS A 51 17.257 14.381 -14.631 1.00 0.00 H new ATOM 0 HE2 HIS A 51 18.315 16.191 -13.145 1.00 0.00 H new ATOM 789 N VAL A 52 13.276 13.210 -8.902 1.00 0.00 N ATOM 790 CA VAL A 52 11.823 13.185 -8.778 1.00 0.00 C ATOM 791 C VAL A 52 11.139 13.491 -10.118 1.00 0.00 C ATOM 792 O VAL A 52 10.277 14.367 -10.219 1.00 0.00 O ATOM 793 CB VAL A 52 11.391 14.071 -7.584 1.00 0.00 C ATOM 794 CG1 VAL A 52 9.919 13.888 -7.168 1.00 0.00 C ATOM 795 CG2 VAL A 52 12.226 13.740 -6.341 1.00 0.00 C ATOM 0 H VAL A 52 13.680 12.469 -8.329 1.00 0.00 H new ATOM 0 HA VAL A 52 11.477 12.179 -8.540 1.00 0.00 H new ATOM 0 HB VAL A 52 11.540 15.093 -7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.695 14.543 -6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.270 14.140 -8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.749 12.851 -6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.909 14.372 -5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.083 12.693 -6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.280 13.920 -6.552 1.00 0.00 H new ATOM 805 N HIS A 53 11.507 12.752 -11.170 1.00 0.00 N ATOM 806 CA HIS A 53 10.929 12.911 -12.504 1.00 0.00 C ATOM 807 C HIS A 53 9.613 12.121 -12.613 1.00 0.00 C ATOM 808 O HIS A 53 9.384 11.394 -13.575 1.00 0.00 O ATOM 809 CB HIS A 53 11.999 12.583 -13.578 1.00 0.00 C ATOM 810 CG HIS A 53 12.053 13.569 -14.727 1.00 0.00 C ATOM 811 ND1 HIS A 53 12.378 13.284 -16.045 1.00 0.00 N ATOM 812 CD2 HIS A 53 11.849 14.921 -14.633 1.00 0.00 C ATOM 813 CE1 HIS A 53 12.322 14.440 -16.733 1.00 0.00 C ATOM 814 NE2 HIS A 53 12.011 15.444 -15.898 1.00 0.00 N ATOM 0 H HIS A 53 12.219 12.023 -11.117 1.00 0.00 H new ATOM 0 HA HIS A 53 10.643 13.947 -12.689 1.00 0.00 H new ATOM 0 HB2 HIS A 53 12.978 12.547 -13.100 1.00 0.00 H new ATOM 0 HB3 HIS A 53 11.803 11.588 -13.978 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.607 15.473 -13.737 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.500 14.544 -17.793 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.912 16.426 -16.156 1.00 0.00 H new ATOM 823 N GLY A 54 8.760 12.212 -11.586 1.00 0.00 N ATOM 824 CA GLY A 54 7.509 11.464 -11.516 1.00 0.00 C ATOM 825 C GLY A 54 7.728 9.950 -11.499 1.00 0.00 C ATOM 826 O GLY A 54 6.874 9.197 -11.971 1.00 0.00 O ATOM 0 H GLY A 54 8.924 12.812 -10.777 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.964 11.758 -10.619 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.884 11.727 -12.370 1.00 0.00 H new ATOM 830 N ALA A 55 8.873 9.502 -10.975 1.00 0.00 N ATOM 831 CA ALA A 55 9.306 8.112 -11.017 1.00 0.00 C ATOM 832 C ALA A 55 8.999 7.357 -9.718 1.00 0.00 C ATOM 833 O ALA A 55 8.972 6.130 -9.750 1.00 0.00 O ATOM 834 CB ALA A 55 10.794 8.057 -11.363 1.00 0.00 C ATOM 0 H ALA A 55 9.536 10.114 -10.500 1.00 0.00 H new ATOM 0 HA ALA A 55 8.737 7.602 -11.794 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.122 7.018 -11.395 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.959 8.520 -12.336 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.364 8.594 -10.605 1.00 0.00 H new ATOM 840 N VAL A 56 8.682 8.047 -8.611 1.00 0.00 N ATOM 841 CA VAL A 56 8.247 7.408 -7.360 1.00 0.00 C ATOM 842 C VAL A 56 7.115 6.402 -7.657 1.00 0.00 C ATOM 843 O VAL A 56 7.238 5.253 -7.232 1.00 0.00 O ATOM 844 CB VAL A 56 7.797 8.452 -6.297 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.670 8.011 -5.350 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.964 8.998 -5.484 1.00 0.00 C ATOM 0 H VAL A 56 8.720 9.065 -8.559 1.00 0.00 H new ATOM 0 HA VAL A 56 9.100 6.876 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 56 7.372 9.244 -6.914 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.442 8.819 -4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.780 7.770 -5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.988 7.131 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.594 9.722 -4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.458 8.179 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.676 9.484 -6.151 1.00 0.00 H new ATOM 856 N PRO A 57 6.024 6.797 -8.353 1.00 0.00 N ATOM 857 CA PRO A 57 4.939 5.887 -8.690 1.00 0.00 C ATOM 858 C PRO A 57 5.354 4.871 -9.760 1.00 0.00 C ATOM 859 O PRO A 57 4.824 3.767 -9.788 1.00 0.00 O ATOM 860 CB PRO A 57 3.815 6.776 -9.231 1.00 0.00 C ATOM 861 CG PRO A 57 4.305 8.212 -9.242 1.00 0.00 C ATOM 862 CD PRO A 57 5.791 8.092 -8.981 1.00 0.00 C ATOM 0 HA PRO A 57 4.638 5.309 -7.816 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.534 6.463 -10.237 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.925 6.683 -8.608 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.105 8.695 -10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.812 8.808 -8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.351 8.172 -9.913 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.133 8.899 -8.333 1.00 0.00 H new ATOM 870 N ASN A 58 6.277 5.225 -10.662 1.00 0.00 N ATOM 871 CA ASN A 58 6.681 4.333 -11.750 1.00 0.00 C ATOM 872 C ASN A 58 7.381 3.089 -11.195 1.00 0.00 C ATOM 873 O ASN A 58 7.214 2.001 -11.744 1.00 0.00 O ATOM 874 CB ASN A 58 7.565 5.077 -12.757 1.00 0.00 C ATOM 875 CG ASN A 58 7.719 4.291 -14.053 1.00 0.00 C ATOM 876 OD1 ASN A 58 8.633 3.491 -14.193 1.00 0.00 O ATOM 877 ND2 ASN A 58 6.861 4.505 -15.037 1.00 0.00 N ATOM 0 H ASN A 58 6.758 6.125 -10.658 1.00 0.00 H new ATOM 0 HA ASN A 58 5.788 4.000 -12.279 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.131 6.053 -12.972 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.547 5.254 -12.319 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.960 4.001 -15.918 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.101 5.174 -14.914 1.00 0.00 H new ATOM 884 N PHE A 59 8.108 3.232 -10.079 1.00 0.00 N ATOM 885 CA PHE A 59 8.593 2.117 -9.271 1.00 0.00 C ATOM 886 C PHE A 59 7.414 1.272 -8.788 1.00 0.00 C ATOM 887 O PHE A 59 7.291 0.120 -9.190 1.00 0.00 O ATOM 888 CB PHE A 59 9.452 2.649 -8.107 1.00 0.00 C ATOM 889 CG PHE A 59 9.615 1.722 -6.908 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.201 0.451 -7.060 1.00 0.00 C ATOM 891 CD2 PHE A 59 9.196 2.139 -5.628 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.395 -0.379 -5.941 1.00 0.00 C ATOM 893 CE2 PHE A 59 9.409 1.315 -4.508 1.00 0.00 C ATOM 894 CZ PHE A 59 10.005 0.054 -4.664 1.00 0.00 C ATOM 0 H PHE A 59 8.378 4.144 -9.710 1.00 0.00 H new ATOM 0 HA PHE A 59 9.229 1.469 -9.874 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.443 2.885 -8.494 1.00 0.00 H new ATOM 0 HB3 PHE A 59 9.014 3.585 -7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.503 0.112 -8.040 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.709 3.095 -5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.846 -1.353 -6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.113 1.653 -3.526 1.00 0.00 H new ATOM 0 HZ PHE A 59 10.163 -0.581 -3.805 1.00 0.00 H new ATOM 904 N VAL A 60 6.536 1.810 -7.936 1.00 0.00 N ATOM 905 CA VAL A 60 5.499 0.987 -7.304 1.00 0.00 C ATOM 906 C VAL A 60 4.507 0.365 -8.286 1.00 0.00 C ATOM 907 O VAL A 60 3.966 -0.701 -8.015 1.00 0.00 O ATOM 908 CB VAL A 60 4.763 1.741 -6.196 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.620 1.741 -4.932 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.426 3.188 -6.507 1.00 0.00 C ATOM 0 H VAL A 60 6.521 2.795 -7.671 1.00 0.00 H new ATOM 0 HA VAL A 60 6.043 0.156 -6.856 1.00 0.00 H new ATOM 0 HB VAL A 60 3.818 1.211 -6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.099 2.278 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.802 0.714 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.571 2.231 -5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.906 3.631 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.345 3.742 -6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.785 3.231 -7.388 1.00 0.00 H new ATOM 920 N LYS A 61 4.289 0.994 -9.433 1.00 0.00 N ATOM 921 CA LYS A 61 3.484 0.452 -10.518 1.00 0.00 C ATOM 922 C LYS A 61 4.082 -0.824 -11.115 1.00 0.00 C ATOM 923 O LYS A 61 3.355 -1.587 -11.738 1.00 0.00 O ATOM 924 CB LYS A 61 3.243 1.553 -11.570 1.00 0.00 C ATOM 925 CG LYS A 61 2.170 1.160 -12.605 1.00 0.00 C ATOM 926 CD LYS A 61 2.788 0.760 -13.955 1.00 0.00 C ATOM 927 CE LYS A 61 2.047 -0.453 -14.524 1.00 0.00 C ATOM 928 NZ LYS A 61 2.773 -1.065 -15.651 1.00 0.00 N ATOM 0 H LYS A 61 4.676 1.915 -9.639 1.00 0.00 H new ATOM 0 HA LYS A 61 2.519 0.142 -10.117 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.938 2.471 -11.067 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.179 1.768 -12.086 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.579 0.330 -12.217 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.486 1.996 -12.753 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.730 1.594 -14.654 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.845 0.525 -13.827 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.908 -1.194 -13.737 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.054 -0.149 -14.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.237 -1.882 -16.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.884 -0.366 -16.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.711 -1.379 -15.330 1.00 0.00 H new ATOM 942 N GLU A 62 5.375 -1.085 -10.923 1.00 0.00 N ATOM 943 CA GLU A 62 5.974 -2.377 -11.252 1.00 0.00 C ATOM 944 C GLU A 62 5.704 -3.430 -10.165 1.00 0.00 C ATOM 945 O GLU A 62 5.771 -4.624 -10.446 1.00 0.00 O ATOM 946 CB GLU A 62 7.472 -2.217 -11.611 1.00 0.00 C ATOM 947 CG GLU A 62 8.537 -2.412 -10.509 1.00 0.00 C ATOM 948 CD GLU A 62 9.457 -3.605 -10.800 1.00 0.00 C ATOM 949 OE1 GLU A 62 10.388 -3.474 -11.636 1.00 0.00 O ATOM 950 OE2 GLU A 62 9.231 -4.705 -10.232 1.00 0.00 O ATOM 0 H GLU A 62 6.034 -0.409 -10.536 1.00 0.00 H new ATOM 0 HA GLU A 62 5.486 -2.763 -12.147 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.695 -2.923 -12.411 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.605 -1.217 -12.023 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.136 -1.506 -10.420 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.042 -2.562 -9.550 1.00 0.00 H new ATOM 957 N LYS A 63 5.374 -3.036 -8.926 1.00 0.00 N ATOM 958 CA LYS A 63 5.294 -3.936 -7.766 1.00 0.00 C ATOM 959 C LYS A 63 3.909 -4.588 -7.657 1.00 0.00 C ATOM 960 O LYS A 63 3.409 -4.804 -6.552 1.00 0.00 O ATOM 961 CB LYS A 63 5.608 -3.148 -6.473 1.00 0.00 C ATOM 962 CG LYS A 63 6.907 -2.327 -6.484 1.00 0.00 C ATOM 963 CD LYS A 63 8.183 -3.159 -6.539 1.00 0.00 C ATOM 964 CE LYS A 63 8.457 -3.871 -5.208 1.00 0.00 C ATOM 965 NZ LYS A 63 9.792 -4.505 -5.184 1.00 0.00 N ATOM 0 H LYS A 63 5.152 -2.067 -8.698 1.00 0.00 H new ATOM 0 HA LYS A 63 6.029 -4.730 -7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.776 -2.473 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.654 -3.853 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.890 -1.655 -7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.934 -1.703 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.101 -3.898 -7.336 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.027 -2.515 -6.787 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.382 -3.154 -4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.692 -4.629 -5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.937 -4.975 -4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.856 -5.208 -5.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.524 -3.779 -5.320 1.00 0.00 H new ATOM 979 N GLY A 64 3.319 -4.941 -8.800 1.00 0.00 N ATOM 980 CA GLY A 64 2.147 -5.801 -8.939 1.00 0.00 C ATOM 981 C GLY A 64 0.917 -5.396 -8.117 1.00 0.00 C ATOM 982 O GLY A 64 0.089 -6.267 -7.813 1.00 0.00 O ATOM 0 H GLY A 64 3.667 -4.616 -9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.864 -5.829 -9.991 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.430 -6.816 -8.658 1.00 0.00 H new ATOM 986 N ALA A 65 0.818 -4.139 -7.666 1.00 0.00 N ATOM 987 CA ALA A 65 -0.103 -3.754 -6.609 1.00 0.00 C ATOM 988 C ALA A 65 -1.565 -3.693 -7.071 1.00 0.00 C ATOM 989 O ALA A 65 -1.850 -3.718 -8.267 1.00 0.00 O ATOM 990 CB ALA A 65 0.368 -2.423 -6.034 1.00 0.00 C ATOM 0 H ALA A 65 1.377 -3.367 -8.029 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.091 -4.523 -5.837 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.308 -2.111 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.375 -2.536 -5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.374 -1.668 -6.821 1.00 0.00 H new ATOM 996 N GLU A 66 -2.501 -3.582 -6.121 1.00 0.00 N ATOM 997 CA GLU A 66 -3.945 -3.505 -6.382 1.00 0.00 C ATOM 998 C GLU A 66 -4.652 -2.559 -5.412 1.00 0.00 C ATOM 999 O GLU A 66 -5.686 -2.000 -5.781 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.594 -4.888 -6.278 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.530 -5.685 -7.585 1.00 0.00 C ATOM 1002 CD GLU A 66 -5.041 -7.098 -7.349 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -4.245 -7.949 -6.889 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -6.245 -7.364 -7.564 1.00 0.00 O ATOM 0 H GLU A 66 -2.272 -3.542 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.056 -3.118 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.100 -5.456 -5.489 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.636 -4.772 -5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.130 -5.194 -8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.505 -5.716 -7.954 1.00 0.00 H new ATOM 1011 N LEU A 67 -4.125 -2.363 -4.199 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.674 -1.417 -3.230 1.00 0.00 C ATOM 1013 C LEU A 67 -3.544 -0.609 -2.578 1.00 0.00 C ATOM 1014 O LEU A 67 -2.375 -1.005 -2.590 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.575 -2.174 -2.222 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.087 -1.347 -1.027 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -6.887 -0.094 -1.409 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -6.990 -2.218 -0.158 1.00 0.00 C ATOM 0 H LEU A 67 -3.301 -2.861 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.312 -0.685 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.436 -2.571 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.018 -3.028 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.191 -1.013 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.206 0.424 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.261 0.570 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.763 -0.384 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.353 -1.635 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.837 -2.567 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.425 -3.075 0.208 1.00 0.00 H new ATOM 1030 N VAL A 68 -3.882 0.556 -2.025 1.00 0.00 N ATOM 1031 CA VAL A 68 -2.978 1.535 -1.448 1.00 0.00 C ATOM 1032 C VAL A 68 -3.783 2.248 -0.353 1.00 0.00 C ATOM 1033 O VAL A 68 -4.864 2.758 -0.643 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.501 2.512 -2.555 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.228 3.239 -2.138 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -2.161 1.856 -3.892 1.00 0.00 C ATOM 0 H VAL A 68 -4.856 0.854 -1.968 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.080 1.086 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.356 3.176 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.918 3.916 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.416 3.810 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.438 2.512 -1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.838 2.619 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.359 1.132 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.043 1.348 -4.283 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.316 2.244 0.897 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.968 2.871 2.046 1.00 0.00 C ATOM 1048 C ILE A 69 -3.078 4.021 2.549 1.00 0.00 C ATOM 1049 O ILE A 69 -1.995 3.780 3.088 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.264 1.819 3.137 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -5.174 0.674 2.631 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.905 2.531 4.335 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -5.308 -0.485 3.631 1.00 0.00 C ATOM 0 H ILE A 69 -2.439 1.786 1.145 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.932 3.291 1.759 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.324 1.351 3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.164 1.075 2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.775 0.290 1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.122 1.804 5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.218 3.285 4.720 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.831 3.012 4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.959 -1.253 3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.324 -0.911 3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.736 -0.114 4.562 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.489 5.266 2.319 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.755 6.498 2.611 1.00 0.00 C ATOM 1067 C VAL A 70 -3.523 7.408 3.579 1.00 0.00 C ATOM 1068 O VAL A 70 -4.677 7.156 3.940 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.445 7.241 1.291 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.506 6.433 0.405 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.702 7.566 0.473 1.00 0.00 C ATOM 0 H VAL A 70 -4.399 5.455 1.898 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.821 6.228 3.103 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.974 8.175 1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.309 6.984 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.568 6.259 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.968 5.476 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.417 8.087 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.219 6.641 0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.365 8.201 1.061 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.888 8.519 3.964 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.558 9.641 4.608 1.00 0.00 C ATOM 1083 C ARG A 71 -3.890 10.684 3.549 1.00 0.00 C ATOM 1084 O ARG A 71 -4.915 10.576 2.878 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.723 10.192 5.781 1.00 0.00 C ATOM 1086 CG ARG A 71 -2.398 9.096 6.796 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.043 9.612 8.195 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.229 10.065 8.940 1.00 0.00 N ATOM 1089 CZ ARG A 71 -3.607 11.274 9.364 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -2.807 12.326 9.239 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -4.818 11.412 9.895 1.00 0.00 N ATOM 0 H ARG A 71 -1.886 8.661 3.834 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.496 9.315 5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.797 10.623 5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.270 10.996 6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.254 8.426 6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.564 8.504 6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.544 8.822 8.756 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.335 10.436 8.107 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.882 9.318 9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.886 12.219 8.813 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.113 13.241 9.569 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.436 10.604 9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.129 12.325 10.226 1.00 0.00 H new ATOM 1105 N GLY A 72 -3.014 11.673 3.372 1.00 0.00 N ATOM 1106 CA GLY A 72 -3.312 12.875 2.598 1.00 0.00 C ATOM 1107 C GLY A 72 -3.080 12.722 1.094 1.00 0.00 C ATOM 1108 O GLY A 72 -3.883 13.217 0.301 1.00 0.00 O ATOM 0 H GLY A 72 -2.073 11.661 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.352 13.155 2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.696 13.695 2.968 1.00 0.00 H new ATOM 1112 N ILE A 73 -1.997 12.045 0.693 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.564 11.855 -0.701 1.00 0.00 C ATOM 1114 C ILE A 73 -1.645 13.162 -1.532 1.00 0.00 C ATOM 1115 O ILE A 73 -1.164 14.201 -1.065 1.00 0.00 O ATOM 1116 CB ILE A 73 -2.229 10.580 -1.293 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.597 10.190 -2.641 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.767 10.612 -1.455 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.474 8.687 -2.809 1.00 0.00 C ATOM 0 H ILE A 73 -1.370 11.594 1.359 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.495 11.645 -0.743 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.030 9.830 -0.527 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.201 10.595 -3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.609 10.644 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.108 9.667 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.232 10.764 -0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.046 11.428 -2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.022 8.465 -3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.847 8.282 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.464 8.233 -2.758 1.00 0.00 H new ATOM 1131 N GLY A 74 -2.115 13.102 -2.783 1.00 0.00 N ATOM 1132 CA GLY A 74 -2.400 14.181 -3.722 1.00 0.00 C ATOM 1133 C GLY A 74 -2.938 13.585 -5.027 1.00 0.00 C ATOM 1134 O GLY A 74 -2.638 12.433 -5.342 1.00 0.00 O ATOM 0 H GLY A 74 -2.326 12.196 -3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.130 14.868 -3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.496 14.758 -3.917 1.00 0.00 H new ATOM 1138 N ARG A 75 -3.711 14.342 -5.816 1.00 0.00 N ATOM 1139 CA ARG A 75 -4.303 13.862 -7.074 1.00 0.00 C ATOM 1140 C ARG A 75 -3.231 13.433 -8.079 1.00 0.00 C ATOM 1141 O ARG A 75 -3.405 12.428 -8.759 1.00 0.00 O ATOM 1142 CB ARG A 75 -5.261 14.929 -7.647 1.00 0.00 C ATOM 1143 CG ARG A 75 -5.921 14.573 -8.994 1.00 0.00 C ATOM 1144 CD ARG A 75 -6.839 13.339 -8.950 1.00 0.00 C ATOM 1145 NE ARG A 75 -8.262 13.655 -9.192 1.00 0.00 N ATOM 1146 CZ ARG A 75 -9.207 12.739 -9.454 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -8.889 11.456 -9.538 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -10.478 13.064 -9.628 1.00 0.00 N ATOM 0 H ARG A 75 -3.945 15.311 -5.599 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.889 12.967 -6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.047 15.117 -6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.709 15.861 -7.768 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.501 15.429 -9.337 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.139 14.402 -9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.503 12.619 -9.696 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.742 12.858 -7.977 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.545 14.634 -9.158 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.922 11.160 -9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.611 10.764 -9.737 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.768 14.040 -9.564 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.167 12.339 -9.826 1.00 0.00 H new ATOM 1162 N ARG A 76 -2.074 14.097 -8.102 1.00 0.00 N ATOM 1163 CA ARG A 76 -0.925 13.657 -8.902 1.00 0.00 C ATOM 1164 C ARG A 76 -0.468 12.226 -8.621 1.00 0.00 C ATOM 1165 O ARG A 76 0.237 11.658 -9.448 1.00 0.00 O ATOM 1166 CB ARG A 76 0.255 14.608 -8.728 1.00 0.00 C ATOM 1167 CG ARG A 76 0.829 14.506 -7.304 1.00 0.00 C ATOM 1168 CD ARG A 76 1.390 15.870 -6.887 1.00 0.00 C ATOM 1169 NE ARG A 76 2.826 16.083 -7.153 1.00 0.00 N ATOM 1170 CZ ARG A 76 3.474 17.227 -6.868 1.00 0.00 C ATOM 1171 NH1 ARG A 76 2.798 18.337 -6.575 1.00 0.00 N ATOM 1172 NH2 ARG A 76 4.800 17.269 -6.800 1.00 0.00 N ATOM 0 H ARG A 76 -1.905 14.951 -7.570 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.279 13.673 -9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.031 14.370 -9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.064 15.632 -8.925 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.052 14.191 -6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.614 13.751 -7.269 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.825 16.647 -7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.214 16.003 -5.820 1.00 0.00 H new ATOM 0 HE ARG A 76 3.356 15.321 -7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.778 18.325 -6.565 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.300 19.198 -6.361 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.346 16.424 -6.965 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.272 18.147 -6.582 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.760 11.668 -7.443 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.387 10.292 -7.146 1.00 0.00 C ATOM 1188 C ALA A 77 -1.569 9.352 -7.355 1.00 0.00 C ATOM 1189 O ALA A 77 -1.361 8.200 -7.732 1.00 0.00 O ATOM 1190 CB ALA A 77 0.144 10.203 -5.726 1.00 0.00 C ATOM 0 H ALA A 77 -1.250 12.148 -6.688 1.00 0.00 H new ATOM 0 HA ALA A 77 0.401 9.980 -7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.423 9.172 -5.506 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.019 10.845 -5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.628 10.527 -5.028 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.800 9.856 -7.196 1.00 0.00 N ATOM 1197 CA ILE A 78 -4.004 9.159 -7.631 1.00 0.00 C ATOM 1198 C ILE A 78 -3.805 8.760 -9.097 1.00 0.00 C ATOM 1199 O ILE A 78 -3.991 7.595 -9.439 1.00 0.00 O ATOM 1200 CB ILE A 78 -5.258 10.030 -7.386 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.594 10.187 -5.887 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.483 9.546 -8.160 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -6.207 8.948 -5.228 1.00 0.00 C ATOM 0 H ILE A 78 -2.983 10.760 -6.761 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.172 8.252 -7.050 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.994 11.014 -7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.682 10.451 -5.351 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.285 11.022 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.330 10.198 -7.946 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.270 9.567 -9.229 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.725 8.527 -7.858 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.408 9.156 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.139 8.692 -5.731 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.511 8.113 -5.306 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.323 9.698 -9.919 1.00 0.00 N ATOM 1216 CA ALA A 79 -3.071 9.527 -11.343 1.00 0.00 C ATOM 1217 C ALA A 79 -2.221 8.302 -11.697 1.00 0.00 C ATOM 1218 O ALA A 79 -2.382 7.750 -12.790 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.359 10.779 -11.857 1.00 0.00 C ATOM 0 H ALA A 79 -3.090 10.635 -9.590 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.042 9.370 -11.814 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.160 10.672 -12.923 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.991 11.651 -11.691 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.417 10.907 -11.323 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.287 7.891 -10.836 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.414 6.771 -11.128 1.00 0.00 C ATOM 1227 C ALA A 80 -1.151 5.452 -10.926 1.00 0.00 C ATOM 1228 O ALA A 80 -1.193 4.623 -11.828 1.00 0.00 O ATOM 1229 CB ALA A 80 0.811 6.857 -10.239 1.00 0.00 C ATOM 0 H ALA A 80 -1.122 8.325 -9.928 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.099 6.812 -12.171 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.474 6.018 -10.451 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.336 7.793 -10.432 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.505 6.822 -9.193 1.00 0.00 H new ATOM 1235 N PHE A 81 -1.723 5.219 -9.747 1.00 0.00 N ATOM 1236 CA PHE A 81 -2.500 4.049 -9.437 1.00 0.00 C ATOM 1237 C PHE A 81 -3.737 3.968 -10.328 1.00 0.00 C ATOM 1238 O PHE A 81 -4.129 2.881 -10.737 1.00 0.00 O ATOM 1239 CB PHE A 81 -2.812 4.162 -7.948 1.00 0.00 C ATOM 1240 CG PHE A 81 -1.565 4.019 -7.085 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -0.809 2.830 -7.111 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -1.121 5.087 -6.287 1.00 0.00 C ATOM 1243 CE1 PHE A 81 0.300 2.664 -6.265 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -0.001 4.933 -5.451 1.00 0.00 C ATOM 1245 CZ PHE A 81 0.690 3.709 -5.412 1.00 0.00 C ATOM 0 H PHE A 81 -1.648 5.868 -8.964 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.970 3.117 -9.635 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.281 5.126 -7.749 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.534 3.394 -7.671 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.086 2.037 -7.790 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.643 6.032 -6.316 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.851 1.735 -6.271 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.330 5.758 -4.837 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.516 3.573 -4.730 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.299 5.102 -10.738 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.343 5.149 -11.746 1.00 0.00 C ATOM 1257 C GLU A 82 -4.915 4.496 -13.051 1.00 0.00 C ATOM 1258 O GLU A 82 -5.766 3.904 -13.715 1.00 0.00 O ATOM 1259 CB GLU A 82 -5.696 6.602 -12.027 1.00 0.00 C ATOM 1260 CG GLU A 82 -6.747 7.131 -11.063 1.00 0.00 C ATOM 1261 CD GLU A 82 -8.109 7.085 -11.750 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -8.654 5.962 -11.850 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -8.504 8.129 -12.333 1.00 0.00 O ATOM 0 H GLU A 82 -4.038 6.019 -10.375 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.200 4.599 -11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.797 7.214 -11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.063 6.695 -13.049 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.762 6.530 -10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.508 8.152 -10.766 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.630 4.566 -13.413 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.159 4.044 -14.684 1.00 0.00 C ATOM 1272 C ALA A 83 -3.131 2.519 -14.689 1.00 0.00 C ATOM 1273 O ALA A 83 -3.080 1.923 -15.763 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.760 4.581 -14.964 1.00 0.00 C ATOM 0 H ALA A 83 -2.900 4.983 -12.835 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.850 4.370 -15.461 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.404 4.190 -15.918 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.790 5.670 -15.006 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.084 4.267 -14.169 1.00 0.00 H new ATOM 1280 N MET A 84 -3.146 1.895 -13.510 1.00 0.00 N ATOM 1281 CA MET A 84 -3.102 0.448 -13.318 1.00 0.00 C ATOM 1282 C MET A 84 -4.419 -0.062 -12.714 1.00 0.00 C ATOM 1283 O MET A 84 -4.537 -1.247 -12.391 1.00 0.00 O ATOM 1284 CB MET A 84 -1.851 0.038 -12.506 1.00 0.00 C ATOM 1285 CG MET A 84 -1.440 1.024 -11.408 1.00 0.00 C ATOM 1286 SD MET A 84 -0.130 0.539 -10.238 1.00 0.00 S ATOM 1287 CE MET A 84 0.116 -1.246 -10.515 1.00 0.00 C ATOM 0 H MET A 84 -3.191 2.406 -12.629 1.00 0.00 H new ATOM 0 HA MET A 84 -3.005 -0.038 -14.289 1.00 0.00 H new ATOM 0 HB2 MET A 84 -2.035 -0.935 -12.050 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.015 -0.086 -13.194 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.123 1.946 -11.895 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.331 1.260 -10.826 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.905 -1.611 -9.857 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.810 -1.779 -10.300 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.401 -1.417 -11.553 1.00 0.00 H new ATOM 1297 N GLY A 85 -5.434 0.796 -12.564 1.00 0.00 N ATOM 1298 CA GLY A 85 -6.685 0.419 -11.917 1.00 0.00 C ATOM 1299 C GLY A 85 -6.486 0.080 -10.443 1.00 0.00 C ATOM 1300 O GLY A 85 -7.316 -0.627 -9.869 1.00 0.00 O ATOM 0 H GLY A 85 -5.408 1.763 -12.887 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.401 1.236 -12.008 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.115 -0.440 -12.432 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.425 0.599 -9.822 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.066 0.347 -8.441 1.00 0.00 C ATOM 1306 C VAL A 86 -5.958 1.232 -7.579 1.00 0.00 C ATOM 1307 O VAL A 86 -5.958 2.458 -7.726 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.543 0.575 -8.237 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.157 0.573 -6.754 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -2.854 -0.649 -8.842 1.00 0.00 C ATOM 0 H VAL A 86 -4.774 1.228 -10.292 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.235 -0.689 -8.147 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.263 1.530 -8.681 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.084 0.736 -6.657 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.693 1.369 -6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.420 -0.388 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.774 -0.551 -8.731 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.192 -1.548 -8.327 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.105 -0.722 -9.900 1.00 0.00 H new ATOM 1320 N LYS A 87 -6.777 0.594 -6.740 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.635 1.232 -5.746 1.00 0.00 C ATOM 1322 C LYS A 87 -6.772 2.055 -4.782 1.00 0.00 C ATOM 1323 O LYS A 87 -5.668 1.637 -4.433 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.448 0.159 -5.008 1.00 0.00 C ATOM 1325 CG LYS A 87 -9.604 0.834 -4.255 1.00 0.00 C ATOM 1326 CD LYS A 87 -10.268 -0.054 -3.207 1.00 0.00 C ATOM 1327 CE LYS A 87 -11.657 -0.563 -3.586 1.00 0.00 C ATOM 1328 NZ LYS A 87 -11.602 -1.740 -4.467 1.00 0.00 N ATOM 0 H LYS A 87 -6.862 -0.422 -6.737 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.338 1.910 -6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.837 -0.572 -5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.810 -0.382 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.229 1.734 -3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.357 1.151 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.622 -0.911 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.343 0.504 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.208 -0.816 -2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.210 0.234 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.569 -2.048 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.100 -1.494 -5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.098 -2.511 -3.985 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.284 3.190 -4.311 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.638 4.024 -3.312 1.00 0.00 C ATOM 1344 C VAL A 88 -7.680 4.363 -2.249 1.00 0.00 C ATOM 1345 O VAL A 88 -8.768 4.845 -2.567 1.00 0.00 O ATOM 1346 CB VAL A 88 -6.028 5.278 -3.964 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -5.328 6.126 -2.889 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -5.025 4.913 -5.073 1.00 0.00 C ATOM 0 H VAL A 88 -8.181 3.560 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.808 3.498 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.837 5.847 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.896 7.014 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.054 6.426 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.538 5.540 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.616 5.825 -5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.215 4.319 -4.650 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.532 4.337 -5.847 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.326 4.119 -0.993 1.00 0.00 N ATOM 1359 CA ILE A 89 -8.107 4.312 0.217 1.00 0.00 C ATOM 1360 C ILE A 89 -7.364 5.400 1.003 1.00 0.00 C ATOM 1361 O ILE A 89 -6.140 5.331 1.139 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.202 2.927 0.909 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.273 2.089 0.175 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.486 2.951 2.415 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.531 0.709 0.786 1.00 0.00 C ATOM 0 H ILE A 89 -6.400 3.747 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.134 4.651 0.083 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.210 2.482 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.209 2.648 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.967 1.961 -0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.531 1.930 2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.690 3.492 2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.439 3.448 2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.296 0.192 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.610 0.127 0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.871 0.825 1.815 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.071 6.425 1.488 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.493 7.629 2.084 1.00 0.00 C ATOM 1379 C LYS A 90 -8.238 7.944 3.370 1.00 0.00 C ATOM 1380 O LYS A 90 -9.471 7.923 3.369 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.658 8.834 1.150 1.00 0.00 C ATOM 1382 CG LYS A 90 -7.044 8.686 -0.253 1.00 0.00 C ATOM 1383 CD LYS A 90 -8.106 8.475 -1.344 1.00 0.00 C ATOM 1384 CE LYS A 90 -9.049 9.683 -1.450 1.00 0.00 C ATOM 1385 NZ LYS A 90 -8.748 10.605 -2.558 1.00 0.00 N ATOM 0 H LYS A 90 -9.091 6.438 1.476 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.434 7.448 2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.723 9.040 1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.213 9.705 1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.461 9.577 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.353 7.843 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.616 8.309 -2.303 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.685 7.578 -1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.070 9.320 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.012 10.239 -0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.411 11.406 -2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.775 10.958 -2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.845 10.103 -3.464 1.00 0.00 H new ATOM 1399 N GLY A 91 -7.516 8.285 4.436 1.00 0.00 N ATOM 1400 CA GLY A 91 -8.123 8.503 5.746 1.00 0.00 C ATOM 1401 C GLY A 91 -7.476 7.697 6.860 1.00 0.00 C ATOM 1402 O GLY A 91 -7.927 7.790 8.001 1.00 0.00 O ATOM 0 H GLY A 91 -6.505 8.417 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.062 9.563 5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.182 8.249 5.693 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.415 6.937 6.579 1.00 0.00 N ATOM 1407 CA ALA A 92 -5.838 6.029 7.558 1.00 0.00 C ATOM 1408 C ALA A 92 -5.126 6.799 8.672 1.00 0.00 C ATOM 1409 O ALA A 92 -4.959 8.014 8.583 1.00 0.00 O ATOM 1410 CB ALA A 92 -4.890 5.097 6.809 1.00 0.00 C ATOM 0 H ALA A 92 -5.940 6.937 5.676 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.617 5.446 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.436 4.398 7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.447 4.542 6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.109 5.684 6.325 1.00 0.00 H new ATOM 1416 N SER A 93 -4.660 6.109 9.708 1.00 0.00 N ATOM 1417 CA SER A 93 -3.576 6.516 10.598 1.00 0.00 C ATOM 1418 C SER A 93 -3.101 5.248 11.321 1.00 0.00 C ATOM 1419 O SER A 93 -3.807 4.237 11.290 1.00 0.00 O ATOM 1420 CB SER A 93 -4.004 7.629 11.574 1.00 0.00 C ATOM 1421 OG SER A 93 -5.345 7.520 12.013 1.00 0.00 O ATOM 0 H SER A 93 -5.049 5.201 9.964 1.00 0.00 H new ATOM 0 HA SER A 93 -2.758 6.956 10.028 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.345 7.611 12.442 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.868 8.596 11.090 1.00 0.00 H new ATOM 0 HG SER A 93 -5.548 8.255 12.629 1.00 0.00 H new ATOM 1427 N GLY A 94 -1.933 5.297 11.956 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.444 4.226 12.819 1.00 0.00 C ATOM 1429 C GLY A 94 -0.380 3.367 12.142 1.00 0.00 C ATOM 1430 O GLY A 94 0.273 3.768 11.175 1.00 0.00 O ATOM 0 H GLY A 94 -1.294 6.089 11.885 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.031 4.659 13.730 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.281 3.594 13.117 1.00 0.00 H new ATOM 1434 N THR A 95 -0.133 2.187 12.697 1.00 0.00 N ATOM 1435 CA THR A 95 0.872 1.271 12.182 1.00 0.00 C ATOM 1436 C THR A 95 0.346 0.500 10.981 1.00 0.00 C ATOM 1437 O THR A 95 -0.860 0.394 10.790 1.00 0.00 O ATOM 1438 CB THR A 95 1.305 0.310 13.309 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.297 0.119 14.294 1.00 0.00 O ATOM 1440 CG2 THR A 95 2.512 0.921 14.002 1.00 0.00 C ATOM 0 H THR A 95 -0.626 1.839 13.519 1.00 0.00 H new ATOM 0 HA THR A 95 1.737 1.842 11.845 1.00 0.00 H new ATOM 0 HB THR A 95 1.517 -0.658 12.855 1.00 0.00 H new ATOM 0 HG1 THR A 95 0.624 -0.499 14.981 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.842 0.263 14.806 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.320 1.047 13.281 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.241 1.892 14.417 1.00 0.00 H new ATOM 1448 N VAL A 96 1.245 -0.103 10.203 1.00 0.00 N ATOM 1449 CA VAL A 96 0.878 -0.973 9.093 1.00 0.00 C ATOM 1450 C VAL A 96 -0.083 -2.054 9.585 1.00 0.00 C ATOM 1451 O VAL A 96 -1.142 -2.248 8.994 1.00 0.00 O ATOM 1452 CB VAL A 96 2.161 -1.552 8.463 1.00 0.00 C ATOM 1453 CG1 VAL A 96 1.962 -2.838 7.650 1.00 0.00 C ATOM 1454 CG2 VAL A 96 2.793 -0.489 7.570 1.00 0.00 C ATOM 0 H VAL A 96 2.252 0.001 10.328 1.00 0.00 H new ATOM 0 HA VAL A 96 0.355 -0.414 8.317 1.00 0.00 H new ATOM 0 HB VAL A 96 2.807 -1.828 9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.921 -3.166 7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.553 -3.616 8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.271 -2.646 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.702 -0.887 7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.091 -0.209 6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.039 0.389 8.167 1.00 0.00 H new ATOM 1464 N GLU A 97 0.270 -2.730 10.678 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.549 -3.816 11.207 1.00 0.00 C ATOM 1466 C GLU A 97 -1.952 -3.343 11.645 1.00 0.00 C ATOM 1467 O GLU A 97 -2.898 -4.130 11.637 1.00 0.00 O ATOM 1468 CB GLU A 97 0.168 -4.522 12.370 1.00 0.00 C ATOM 1469 CG GLU A 97 0.690 -3.572 13.461 1.00 0.00 C ATOM 1470 CD GLU A 97 0.967 -4.299 14.776 1.00 0.00 C ATOM 1471 OE1 GLU A 97 1.593 -5.382 14.767 1.00 0.00 O ATOM 1472 OE2 GLU A 97 0.522 -3.781 15.826 1.00 0.00 O ATOM 0 H GLU A 97 1.118 -2.543 11.213 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.692 -4.527 10.393 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.518 -5.236 12.825 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.006 -5.094 11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.605 -3.091 13.114 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.041 -2.781 13.632 1.00 0.00 H new ATOM 1479 N GLU A 98 -2.100 -2.069 12.021 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.364 -1.462 12.426 1.00 0.00 C ATOM 1481 C GLU A 98 -4.138 -1.101 11.157 1.00 0.00 C ATOM 1482 O GLU A 98 -5.257 -1.553 10.969 1.00 0.00 O ATOM 1483 CB GLU A 98 -3.080 -0.241 13.323 1.00 0.00 C ATOM 1484 CG GLU A 98 -4.326 0.494 13.845 1.00 0.00 C ATOM 1485 CD GLU A 98 -5.050 -0.237 14.980 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -4.526 -0.292 16.114 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -6.198 -0.696 14.785 1.00 0.00 O ATOM 0 H GLU A 98 -1.318 -1.415 12.052 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.974 -2.148 13.014 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.487 -0.568 14.177 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.469 0.467 12.763 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.032 1.484 14.193 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.022 0.640 13.019 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.539 -0.334 10.246 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.145 0.127 9.004 1.00 0.00 C ATOM 1496 C VAL A 99 -4.703 -1.046 8.184 1.00 0.00 C ATOM 1497 O VAL A 99 -5.822 -0.970 7.666 1.00 0.00 O ATOM 1498 CB VAL A 99 -3.071 0.933 8.244 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.496 1.281 6.830 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -2.788 2.278 8.923 1.00 0.00 C ATOM 0 H VAL A 99 -2.580 -0.006 10.361 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.004 0.767 9.204 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.194 0.286 8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.704 1.848 6.341 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.685 0.365 6.271 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.405 1.881 6.861 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.027 2.817 8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.703 2.869 8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.433 2.105 9.939 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.930 -2.125 8.050 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.342 -3.298 7.286 1.00 0.00 C ATOM 1512 C VAL A 100 -5.531 -3.958 7.987 1.00 0.00 C ATOM 1513 O VAL A 100 -6.488 -4.341 7.312 1.00 0.00 O ATOM 1514 CB VAL A 100 -3.158 -4.268 7.077 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.590 -5.569 6.382 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -2.074 -3.637 6.189 1.00 0.00 C ATOM 0 H VAL A 100 -3.003 -2.208 8.468 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.662 -2.997 6.288 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.776 -4.482 8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.724 -6.219 6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.339 -6.075 6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.013 -5.336 5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.253 -4.343 6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.499 -3.392 5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.700 -2.729 6.661 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.496 -4.080 9.318 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.631 -4.579 10.085 1.00 0.00 C ATOM 1528 C ASN A 101 -7.861 -3.709 9.837 1.00 0.00 C ATOM 1529 O ASN A 101 -8.896 -4.254 9.485 1.00 0.00 O ATOM 1530 CB ASN A 101 -6.273 -4.674 11.577 1.00 0.00 C ATOM 1531 CG ASN A 101 -7.509 -4.733 12.464 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -8.139 -3.717 12.728 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -7.888 -5.907 12.935 1.00 0.00 N ATOM 0 H ASN A 101 -4.685 -3.836 9.886 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.875 -5.587 9.751 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.664 -5.562 11.747 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -5.667 -3.813 11.859 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.716 -5.976 13.527 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.353 -6.745 12.707 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.759 -2.388 9.967 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.901 -1.479 9.915 1.00 0.00 C ATOM 1542 C GLN A 102 -9.665 -1.640 8.594 1.00 0.00 C ATOM 1543 O GLN A 102 -10.899 -1.635 8.563 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.418 -0.037 10.094 1.00 0.00 C ATOM 1545 CG GLN A 102 -7.753 0.191 11.467 1.00 0.00 C ATOM 1546 CD GLN A 102 -8.637 0.902 12.494 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -9.440 1.778 12.173 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -8.503 0.546 13.757 1.00 0.00 N ATOM 0 H GLN A 102 -6.868 -1.913 10.113 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.587 -1.724 10.726 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.708 0.207 9.304 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.263 0.643 9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.450 -0.774 11.874 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.844 0.775 11.323 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.835 -0.181 14.014 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.067 0.998 14.477 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.925 -1.774 7.492 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.466 -2.042 6.173 1.00 0.00 C ATOM 1559 C TYR A 103 -10.065 -3.435 6.072 1.00 0.00 C ATOM 1560 O TYR A 103 -11.215 -3.564 5.662 1.00 0.00 O ATOM 1561 CB TYR A 103 -8.353 -1.872 5.151 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.712 -2.378 3.768 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -9.791 -1.804 3.069 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -8.040 -3.496 3.233 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -10.219 -2.372 1.857 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -8.460 -4.059 2.015 1.00 0.00 C ATOM 1567 CZ TYR A 103 -9.569 -3.509 1.335 1.00 0.00 C ATOM 1568 OH TYR A 103 -10.014 -4.072 0.178 1.00 0.00 O ATOM 0 H TYR A 103 -7.908 -1.696 7.500 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.274 -1.337 5.979 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -8.091 -0.816 5.085 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.466 -2.399 5.502 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.288 -0.930 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.199 -3.922 3.761 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.050 -1.935 1.323 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.937 -4.908 1.601 1.00 0.00 H new ATOM 0 HH TYR A 103 -10.414 -3.380 -0.390 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.311 -4.482 6.417 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.789 -5.856 6.273 1.00 0.00 C ATOM 1580 C LEU A 104 -10.996 -6.113 7.188 1.00 0.00 C ATOM 1581 O LEU A 104 -11.861 -6.931 6.868 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.650 -6.849 6.570 1.00 0.00 C ATOM 1583 CG LEU A 104 -7.549 -6.903 5.487 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.490 -7.941 5.874 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -8.082 -7.252 4.091 1.00 0.00 C ATOM 0 H LEU A 104 -8.368 -4.403 6.798 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.115 -6.004 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.192 -6.583 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.075 -7.846 6.688 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.124 -5.901 5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.716 -7.975 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.042 -7.666 6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.957 -8.922 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.256 -7.272 3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.561 -8.231 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.809 -6.501 3.781 1.00 0.00 H new ATOM 1597 N SER A 105 -11.099 -5.377 8.295 1.00 0.00 N ATOM 1598 CA SER A 105 -12.230 -5.414 9.216 1.00 0.00 C ATOM 1599 C SER A 105 -13.389 -4.531 8.727 1.00 0.00 C ATOM 1600 O SER A 105 -14.469 -4.541 9.327 1.00 0.00 O ATOM 1601 CB SER A 105 -11.759 -5.032 10.621 1.00 0.00 C ATOM 1602 OG SER A 105 -10.896 -6.044 11.114 1.00 0.00 O ATOM 0 H SER A 105 -10.374 -4.719 8.582 1.00 0.00 H new ATOM 0 HA SER A 105 -12.623 -6.430 9.253 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.239 -4.074 10.596 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.615 -4.912 11.285 1.00 0.00 H new ATOM 0 HG SER A 105 -9.977 -5.858 10.829 1.00 0.00 H new ATOM 1608 N GLY A 106 -13.209 -3.818 7.615 1.00 0.00 N ATOM 1609 CA GLY A 106 -14.257 -3.134 6.883 1.00 0.00 C ATOM 1610 C GLY A 106 -14.620 -1.775 7.462 1.00 0.00 C ATOM 1611 O GLY A 106 -15.695 -1.275 7.137 1.00 0.00 O ATOM 0 H GLY A 106 -12.290 -3.701 7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.941 -3.005 5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.147 -3.762 6.868 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.791 -1.203 8.341 1.00 0.00 N ATOM 1616 CA GLN A 107 -14.066 0.088 8.965 1.00 0.00 C ATOM 1617 C GLN A 107 -13.562 1.244 8.109 1.00 0.00 C ATOM 1618 O GLN A 107 -14.068 2.362 8.207 1.00 0.00 O ATOM 1619 CB GLN A 107 -13.362 0.184 10.327 1.00 0.00 C ATOM 1620 CG GLN A 107 -13.673 -0.994 11.254 1.00 0.00 C ATOM 1621 CD GLN A 107 -13.657 -0.569 12.719 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -12.750 0.122 13.178 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -14.651 -0.974 13.489 1.00 0.00 N ATOM 0 H GLN A 107 -12.911 -1.625 8.638 1.00 0.00 H new ATOM 0 HA GLN A 107 -15.148 0.158 9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.285 0.238 10.168 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.659 1.111 10.817 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.650 -1.407 11.004 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.942 -1.787 11.096 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.398 -1.547 13.098 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.671 -0.714 14.475 1.00 0.00 H new ATOM 1632 N LEU A 108 -12.492 1.013 7.345 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.716 2.097 6.763 1.00 0.00 C ATOM 1634 C LEU A 108 -12.455 2.740 5.573 1.00 0.00 C ATOM 1635 O LEU A 108 -13.442 2.190 5.081 1.00 0.00 O ATOM 1636 CB LEU A 108 -10.316 1.540 6.449 1.00 0.00 C ATOM 1637 CG LEU A 108 -9.191 2.577 6.522 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -9.026 3.234 7.898 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -7.860 1.927 6.154 1.00 0.00 C ATOM 0 H LEU A 108 -12.147 0.080 7.118 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.592 2.928 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.095 0.732 7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.327 1.104 5.450 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.475 3.358 5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.209 3.954 7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.949 3.746 8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.803 2.469 8.642 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.065 2.670 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.646 1.116 6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.917 1.530 5.141 1.00 0.00 H new ATOM 1651 N LYS A 109 -12.007 3.914 5.108 1.00 0.00 N ATOM 1652 CA LYS A 109 -12.717 4.738 4.116 1.00 0.00 C ATOM 1653 C LYS A 109 -11.785 5.223 3.015 1.00 0.00 C ATOM 1654 O LYS A 109 -10.563 5.175 3.163 1.00 0.00 O ATOM 1655 CB LYS A 109 -13.437 5.938 4.771 1.00 0.00 C ATOM 1656 CG LYS A 109 -12.506 7.011 5.378 1.00 0.00 C ATOM 1657 CD LYS A 109 -12.236 6.810 6.871 1.00 0.00 C ATOM 1658 CE LYS A 109 -13.399 7.344 7.712 1.00 0.00 C ATOM 1659 NZ LYS A 109 -13.238 7.030 9.144 1.00 0.00 N ATOM 0 H LYS A 109 -11.126 4.326 5.415 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.473 4.094 3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.073 6.412 4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.094 5.563 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -11.557 7.004 4.841 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.951 7.995 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.088 5.750 7.079 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.315 7.321 7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.472 8.424 7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.334 6.916 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.047 7.410 9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.194 5.999 9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.359 7.460 9.497 1.00 0.00 H new ATOM 1673 N ASP A 110 -12.356 5.771 1.948 1.00 0.00 N ATOM 1674 CA ASP A 110 -11.667 6.219 0.739 1.00 0.00 C ATOM 1675 C ASP A 110 -11.891 7.700 0.461 1.00 0.00 C ATOM 1676 O ASP A 110 -11.560 8.173 -0.624 1.00 0.00 O ATOM 1677 CB ASP A 110 -12.139 5.374 -0.453 1.00 0.00 C ATOM 1678 CG ASP A 110 -13.651 5.451 -0.714 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -14.316 6.394 -0.238 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -14.192 4.459 -1.262 1.00 0.00 O ATOM 0 H ASP A 110 -13.363 5.923 1.899 1.00 0.00 H new ATOM 0 HA ASP A 110 -10.596 6.086 0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -11.609 5.699 -1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.863 4.334 -0.280 1.00 0.00 H new ATOM 1685 N SER A 111 -12.404 8.418 1.457 1.00 0.00 N ATOM 1686 CA SER A 111 -12.868 9.792 1.407 1.00 0.00 C ATOM 1687 C SER A 111 -13.474 10.160 0.042 1.00 0.00 C ATOM 1688 O SER A 111 -13.016 11.107 -0.604 1.00 0.00 O ATOM 1689 CB SER A 111 -11.757 10.713 1.921 1.00 0.00 C ATOM 1690 OG SER A 111 -10.668 10.814 1.027 1.00 0.00 O ATOM 0 H SER A 111 -12.512 8.019 2.389 1.00 0.00 H new ATOM 0 HA SER A 111 -13.714 9.930 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.169 11.707 2.098 1.00 0.00 H new ATOM 0 HB3 SER A 111 -11.399 10.341 2.881 1.00 0.00 H new ATOM 0 HG SER A 111 -11.000 11.031 0.131 1.00 0.00 H new ATOM 1696 N ASP A 112 -14.458 9.361 -0.388 1.00 0.00 N ATOM 1697 CA ASP A 112 -15.423 9.579 -1.473 1.00 0.00 C ATOM 1698 C ASP A 112 -14.811 10.033 -2.793 1.00 0.00 C ATOM 1699 O ASP A 112 -15.440 10.645 -3.654 1.00 0.00 O ATOM 1700 CB ASP A 112 -16.568 10.496 -1.000 1.00 0.00 C ATOM 1701 CG ASP A 112 -16.279 11.998 -1.133 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -15.499 12.555 -0.330 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -16.898 12.645 -2.004 1.00 0.00 O ATOM 0 H ASP A 112 -14.614 8.457 0.059 1.00 0.00 H new ATOM 0 HA ASP A 112 -15.839 8.600 -1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -17.465 10.260 -1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -16.788 10.272 0.044 1.00 0.00 H new ATOM 1708 N TYR A 113 -13.611 9.547 -3.039 1.00 0.00 N ATOM 1709 CA TYR A 113 -12.887 9.710 -4.273 1.00 0.00 C ATOM 1710 C TYR A 113 -13.470 8.767 -5.316 1.00 0.00 C ATOM 1711 O TYR A 113 -13.498 7.550 -5.121 1.00 0.00 O ATOM 1712 CB TYR A 113 -11.430 9.446 -3.936 1.00 0.00 C ATOM 1713 CG TYR A 113 -10.615 8.733 -4.977 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -10.353 9.350 -6.209 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -10.177 7.422 -4.720 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -9.640 8.651 -7.190 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -9.436 6.731 -5.690 1.00 0.00 C ATOM 1718 CZ TYR A 113 -9.164 7.348 -6.932 1.00 0.00 C ATOM 1719 OH TYR A 113 -8.453 6.703 -7.889 1.00 0.00 O ATOM 0 H TYR A 113 -13.094 9.003 -2.348 1.00 0.00 H new ATOM 0 HA TYR A 113 -12.968 10.707 -4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -10.951 10.402 -3.725 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -11.394 8.862 -3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -10.698 10.355 -6.399 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -10.411 6.948 -3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -9.453 9.111 -8.149 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -9.075 5.733 -5.489 1.00 0.00 H new ATOM 0 HH TYR A 113 -8.194 5.816 -7.562 1.00 0.00 H new ATOM 1729 N GLU A 114 -13.949 9.337 -6.419 1.00 0.00 N ATOM 1730 CA GLU A 114 -14.369 8.573 -7.575 1.00 0.00 C ATOM 1731 C GLU A 114 -13.154 7.919 -8.232 1.00 0.00 C ATOM 1732 O GLU A 114 -12.261 8.607 -8.719 1.00 0.00 O ATOM 1733 CB GLU A 114 -15.189 9.435 -8.547 1.00 0.00 C ATOM 1734 CG GLU A 114 -14.479 10.700 -9.049 1.00 0.00 C ATOM 1735 CD GLU A 114 -14.360 10.747 -10.573 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -13.620 9.933 -11.167 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -14.991 11.632 -11.186 1.00 0.00 O ATOM 0 H GLU A 114 -14.054 10.346 -6.530 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.037 7.773 -7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -15.463 8.825 -9.407 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.117 9.728 -8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.025 11.578 -8.704 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.483 10.751 -8.610 1.00 0.00 H new ATOM 1744 N VAL A 115 -13.087 6.590 -8.254 1.00 0.00 N ATOM 1745 CA VAL A 115 -11.991 5.880 -8.901 1.00 0.00 C ATOM 1746 C VAL A 115 -12.252 5.767 -10.412 1.00 0.00 C ATOM 1747 O VAL A 115 -12.550 4.687 -10.943 1.00 0.00 O ATOM 1748 CB VAL A 115 -11.701 4.580 -8.136 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -12.880 3.605 -8.039 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -10.475 3.886 -8.720 1.00 0.00 C ATOM 0 H VAL A 115 -13.785 5.981 -7.827 1.00 0.00 H new ATOM 0 HA VAL A 115 -11.053 6.433 -8.849 1.00 0.00 H new ATOM 0 HB VAL A 115 -11.507 4.888 -7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -12.575 2.720 -7.481 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -13.711 4.089 -7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -13.194 3.312 -9.041 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -10.281 2.966 -8.169 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -10.656 3.649 -9.769 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -9.611 4.546 -8.641 1.00 0.00 H new ATOM 1760 N HIS A 116 -12.132 6.916 -11.088 1.00 0.00 N ATOM 1761 CA HIS A 116 -12.600 7.199 -12.438 1.00 0.00 C ATOM 1762 C HIS A 116 -14.113 6.991 -12.515 1.00 0.00 C ATOM 1763 O HIS A 116 -14.606 5.874 -12.414 1.00 0.00 O ATOM 1764 CB HIS A 116 -11.800 6.403 -13.487 1.00 0.00 C ATOM 1765 CG HIS A 116 -12.292 6.547 -14.908 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -13.031 7.595 -15.428 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -12.065 5.653 -15.918 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -13.263 7.325 -16.722 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -12.688 6.152 -17.046 1.00 0.00 N ATOM 0 H HIS A 116 -11.672 7.725 -10.671 1.00 0.00 H new ATOM 0 HA HIS A 116 -12.416 8.246 -12.680 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -10.758 6.720 -13.445 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -11.823 5.348 -13.216 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -11.505 4.732 -15.847 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -13.824 7.952 -17.399 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -12.709 5.709 -17.964 1.00 0.00 H new ATOM 1778 N ASP A 117 -14.868 8.060 -12.726 1.00 0.00 N ATOM 1779 CA ASP A 117 -16.277 8.008 -13.088 1.00 0.00 C ATOM 1780 C ASP A 117 -16.462 7.183 -14.372 1.00 0.00 C ATOM 1781 O ASP A 117 -16.036 7.595 -15.448 1.00 0.00 O ATOM 1782 CB ASP A 117 -16.834 9.428 -13.238 1.00 0.00 C ATOM 1783 CG ASP A 117 -18.168 9.394 -13.970 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -19.071 8.655 -13.513 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -18.287 10.046 -15.033 1.00 0.00 O ATOM 0 H ASP A 117 -14.508 9.011 -12.648 1.00 0.00 H new ATOM 0 HA ASP A 117 -16.838 7.515 -12.295 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -16.961 9.882 -12.255 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -16.125 10.049 -13.787 1.00 0.00 H new ATOM 1790 N HIS A 118 -17.059 5.996 -14.256 1.00 0.00 N ATOM 1791 CA HIS A 118 -17.482 5.115 -15.348 1.00 0.00 C ATOM 1792 C HIS A 118 -18.545 4.160 -14.812 1.00 0.00 C ATOM 1793 O HIS A 118 -18.560 3.910 -13.603 1.00 0.00 O ATOM 1794 CB HIS A 118 -16.306 4.330 -15.973 1.00 0.00 C ATOM 1795 CG HIS A 118 -15.347 3.572 -15.070 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -14.172 2.983 -15.505 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -15.338 3.537 -13.702 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -13.422 2.712 -14.420 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -14.104 3.053 -13.310 1.00 0.00 N ATOM 0 H HIS A 118 -17.274 5.599 -13.341 1.00 0.00 H new ATOM 0 HA HIS A 118 -17.890 5.731 -16.149 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -16.729 3.612 -16.675 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -15.716 5.036 -16.557 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -16.146 3.833 -13.049 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -12.429 2.288 -14.437 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -13.769 2.969 -12.350 1.00 0.00 H new ATOM 1808 N HIS A 119 -19.379 3.594 -15.698 1.00 0.00 N ATOM 1809 CA HIS A 119 -20.532 2.754 -15.345 1.00 0.00 C ATOM 1810 C HIS A 119 -20.206 1.785 -14.206 1.00 0.00 C ATOM 1811 O HIS A 119 -19.256 0.997 -14.307 1.00 0.00 O ATOM 1812 CB HIS A 119 -21.034 1.962 -16.563 1.00 0.00 C ATOM 1813 CG HIS A 119 -21.695 2.783 -17.644 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -22.673 3.744 -17.463 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -21.551 2.583 -18.989 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -23.128 4.101 -18.678 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -22.444 3.426 -19.621 1.00 0.00 N ATOM 0 H HIS A 119 -19.267 3.711 -16.705 1.00 0.00 H new ATOM 0 HA HIS A 119 -21.318 3.430 -15.007 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -20.190 1.429 -17.001 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -21.743 1.209 -16.218 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -20.868 1.896 -19.467 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -23.916 4.815 -18.867 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -22.565 3.521 -20.629 1.00 0.00 H new ATOM 1826 N HIS A 120 -20.981 1.850 -13.120 1.00 0.00 N ATOM 1827 CA HIS A 120 -20.792 1.064 -11.905 1.00 0.00 C ATOM 1828 C HIS A 120 -21.277 -0.377 -12.138 1.00 0.00 C ATOM 1829 O HIS A 120 -22.295 -0.807 -11.585 1.00 0.00 O ATOM 1830 CB HIS A 120 -21.458 1.795 -10.713 1.00 0.00 C ATOM 1831 CG HIS A 120 -20.539 1.967 -9.536 1.00 0.00 C ATOM 1832 ND1 HIS A 120 -20.519 1.184 -8.398 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -19.643 2.988 -9.379 1.00 0.00 C ATOM 1834 CE1 HIS A 120 -19.612 1.721 -7.559 1.00 0.00 C ATOM 1835 NE2 HIS A 120 -19.066 2.809 -8.137 1.00 0.00 N ATOM 0 H HIS A 120 -21.785 2.475 -13.064 1.00 0.00 H new ATOM 0 HA HIS A 120 -19.737 0.975 -11.646 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -21.803 2.775 -11.043 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -22.339 1.236 -10.399 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -19.429 3.777 -10.085 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -19.362 1.340 -6.580 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -18.346 3.402 -7.725 1.00 0.00 H new ATOM 1844 N HIS A 121 -20.518 -1.137 -12.936 1.00 0.00 N ATOM 1845 CA HIS A 121 -20.916 -2.407 -13.547 1.00 0.00 C ATOM 1846 C HIS A 121 -22.184 -2.205 -14.386 1.00 0.00 C ATOM 1847 O HIS A 121 -22.508 -1.063 -14.731 1.00 0.00 O ATOM 1848 CB HIS A 121 -21.025 -3.498 -12.460 1.00 0.00 C ATOM 1849 CG HIS A 121 -20.865 -4.916 -12.957 1.00 0.00 C ATOM 1850 ND1 HIS A 121 -21.635 -6.011 -12.596 1.00 0.00 N ATOM 1851 CD2 HIS A 121 -19.941 -5.336 -13.874 1.00 0.00 C ATOM 1852 CE1 HIS A 121 -21.191 -7.065 -13.302 1.00 0.00 C ATOM 1853 NE2 HIS A 121 -20.170 -6.679 -14.085 1.00 0.00 N ATOM 0 H HIS A 121 -19.565 -0.869 -13.184 1.00 0.00 H new ATOM 0 HA HIS A 121 -20.157 -2.762 -14.244 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -20.267 -3.308 -11.700 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -21.996 -3.408 -11.972 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -19.178 -4.732 -14.343 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -21.592 -8.066 -13.248 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -19.652 -7.278 -14.727 1.00 0.00 H new ATOM 1862 N GLU A 122 -22.886 -3.295 -14.716 1.00 0.00 N ATOM 1863 CA GLU A 122 -24.288 -3.246 -15.123 1.00 0.00 C ATOM 1864 C GLU A 122 -25.017 -2.306 -14.154 1.00 0.00 C ATOM 1865 O GLU A 122 -24.767 -2.342 -12.937 1.00 0.00 O ATOM 1866 CB GLU A 122 -24.936 -4.645 -15.108 1.00 0.00 C ATOM 1867 CG GLU A 122 -24.509 -5.588 -16.245 1.00 0.00 C ATOM 1868 CD GLU A 122 -23.211 -6.325 -15.933 1.00 0.00 C ATOM 1869 OE1 GLU A 122 -22.130 -5.735 -16.158 1.00 0.00 O ATOM 1870 OE2 GLU A 122 -23.265 -7.464 -15.413 1.00 0.00 O ATOM 0 H GLU A 122 -22.494 -4.236 -14.707 1.00 0.00 H new ATOM 0 HA GLU A 122 -24.360 -2.881 -16.147 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -24.703 -5.123 -14.157 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -26.019 -4.525 -15.147 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -25.301 -6.314 -16.428 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -24.386 -5.013 -17.163 1.00 0.00 H new ATOM 1877 N HIS A 123 -25.877 -1.435 -14.692 1.00 0.00 N ATOM 1878 CA HIS A 123 -26.571 -0.372 -13.965 1.00 0.00 C ATOM 1879 C HIS A 123 -27.792 -0.954 -13.238 1.00 0.00 C ATOM 1880 O HIS A 123 -28.893 -0.407 -13.309 1.00 0.00 O ATOM 1881 CB HIS A 123 -26.913 0.792 -14.916 1.00 0.00 C ATOM 1882 CG HIS A 123 -27.037 2.100 -14.169 1.00 0.00 C ATOM 1883 ND1 HIS A 123 -26.021 3.019 -13.958 1.00 0.00 N ATOM 1884 CD2 HIS A 123 -28.133 2.517 -13.463 1.00 0.00 C ATOM 1885 CE1 HIS A 123 -26.487 3.952 -13.112 1.00 0.00 C ATOM 1886 NE2 HIS A 123 -27.767 3.677 -12.809 1.00 0.00 N ATOM 0 H HIS A 123 -26.116 -1.454 -15.683 1.00 0.00 H new ATOM 0 HA HIS A 123 -25.921 0.048 -13.198 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -26.139 0.879 -15.679 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -27.848 0.577 -15.434 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -29.097 2.033 -13.425 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -25.922 4.791 -12.734 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -28.367 4.232 -12.199 1.00 0.00 H new ATOM 1895 N HIS A 124 -27.570 -2.063 -12.533 1.00 0.00 N ATOM 1896 CA HIS A 124 -28.467 -3.209 -12.502 1.00 0.00 C ATOM 1897 C HIS A 124 -28.652 -3.777 -13.909 1.00 0.00 C ATOM 1898 O HIS A 124 -29.167 -4.910 -13.984 1.00 0.00 O ATOM 1899 CB HIS A 124 -29.810 -2.876 -11.843 1.00 0.00 C ATOM 1900 CG HIS A 124 -30.517 -4.111 -11.355 1.00 0.00 C ATOM 1901 ND1 HIS A 124 -30.162 -4.797 -10.215 1.00 0.00 N ATOM 1902 CD2 HIS A 124 -31.484 -4.823 -12.012 1.00 0.00 C ATOM 1903 CE1 HIS A 124 -30.893 -5.927 -10.183 1.00 0.00 C ATOM 1904 NE2 HIS A 124 -31.704 -5.965 -11.262 1.00 0.00 N ATOM 0 H HIS A 124 -26.739 -2.189 -11.954 1.00 0.00 H new ATOM 0 HA HIS A 124 -28.005 -3.977 -11.881 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -29.645 -2.197 -11.006 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -30.445 -2.353 -12.558 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -31.977 -4.548 -12.933 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -30.839 -6.684 -9.415 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -32.366 -6.708 -11.486 1.00 0.00 H new TER 1913 HIS A 124