USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 828 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 109 HIS : no HE2:sc= 0.964 K(o=1,f=-6.1!) USER MOD Set 1.2: A 111 HIS : no HD1:sc= 0.0372 K(o=1,f=-2.5) USER MOD Set 2.1: A 108 HIS : no HD1:sc= 0.0585 K(o=0.1,f=-2.3) USER MOD Set 2.2: A 110 HIS : no HE2:sc= 0.0435 K(o=0.1,f=-1.7) USER MOD Set 3.1: A 49 TYR OH : rot -167:sc= 1.31 USER MOD Set 3.2: A 106 HIS : no HD1:sc= 1.02 K(o=2.3,f=-3.1) USER MOD Set 4.1: A 39 THR OG1 : rot 66:sc= 1.1 USER MOD Set 4.2: A 83 HIS : no HE2:sc= 1.38 K(o=2.5,f=-9.5!) USER MOD Set 5.1: A 20 MET CE :methyl -163:sc= -0.0243 (180deg=-0.331) USER MOD Set 5.2: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 11 GLN : amide:sc= 0.796 K(o=1.7,f=-0.66) USER MOD Set 6.2: A 19 TYR OH : rot 114:sc= 0.913 USER MOD Set 7.1: A 8 LYS NZ :NH3+ 178:sc= 1.83 (180deg=0.911) USER MOD Set 7.2: A 9 ASN : amide:sc= -0.151 K(o=1.7,f=-6.4!) USER MOD Single : A 1 MET CE :methyl -173:sc= -0.236 (180deg=-0.31) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.091 (180deg=-0.227) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 166:sc= -0.0162 (180deg=-0.285) USER MOD Single : A 5 GLN : amide:sc= 0.623 K(o=0.62,f=-1.2) USER MOD Single : A 6 ASN : amide:sc= -0.0171 K(o=-0.017,f=-1.2!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.203 K(o=-0.2,f=-6.9!) USER MOD Single : A 17 SER OG : rot 76:sc= 0.727 USER MOD Single : A 21 SER OG : rot -84:sc= 0.585 USER MOD Single : A 22 GLN : amide:sc= -0.161 K(o=-0.16,f=-6.7!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0.823 USER MOD Single : A 32 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.3) USER MOD Single : A 34 THR OG1 : rot -46:sc= 1.2 USER MOD Single : A 35 THR OG1 : rot -5:sc= 0.0856 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 150:sc= 0.891 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -150:sc= -0.0042 USER MOD Single : A 54 ASN : amide:sc= -0.865 K(o=-0.87,f=-7.6!) USER MOD Single : A 55 SER OG : rot -45:sc= 0.578 USER MOD Single : A 56 THR OG1 : rot 45:sc= 0.819 USER MOD Single : A 58 SER OG : rot 163:sc= 0.859 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 62 CYS SG : rot -76:sc= -2.74 USER MOD Single : A 66 THR OG1 : rot -170:sc= 0.511 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 143:sc= 0.952 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 170:sc=-0.00107 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 170:sc= -0.0216 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 98 MET CE :methyl 149:sc=-0.00662 (180deg=-0.265) USER MOD Single : A 107 HIS : no HD1:sc= 0.314 K(o=0.31,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.314 -2.112 0.123 1.00 0.00 N ATOM 2 CA MET A 1 -0.631 -3.424 -0.081 1.00 0.00 C ATOM 3 C MET A 1 -1.608 -4.499 -0.594 1.00 0.00 C ATOM 4 O MET A 1 -1.191 -5.505 -1.169 1.00 0.00 O ATOM 5 CB MET A 1 0.020 -3.892 1.219 1.00 0.00 C ATOM 6 CG MET A 1 1.129 -2.984 1.730 1.00 0.00 C ATOM 7 SD MET A 1 2.459 -2.767 0.530 1.00 0.00 S ATOM 8 CE MET A 1 3.151 -4.417 0.489 1.00 0.00 C ATOM 0 H1 MET A 1 -0.611 -1.392 0.387 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.788 -1.827 -0.758 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.019 -2.202 0.882 1.00 0.00 H new ATOM 0 HA MET A 1 0.139 -3.279 -0.839 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.749 -3.973 1.987 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.427 -4.892 1.068 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.709 -2.010 1.981 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.539 -3.401 2.650 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.060 -4.416 -0.113 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.388 -4.737 1.503 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.427 -5.104 0.051 1.00 0.00 H new ATOM 20 N SER A 2 -2.905 -4.273 -0.392 1.00 0.00 N ATOM 21 CA SER A 2 -3.952 -5.241 -0.773 1.00 0.00 C ATOM 22 C SER A 2 -3.987 -5.523 -2.287 1.00 0.00 C ATOM 23 O SER A 2 -4.535 -6.539 -2.724 1.00 0.00 O ATOM 24 CB SER A 2 -5.306 -4.739 -0.310 1.00 0.00 C ATOM 25 OG SER A 2 -5.694 -3.574 -0.986 1.00 0.00 O ATOM 0 H SER A 2 -3.266 -3.421 0.037 1.00 0.00 H new ATOM 0 HA SER A 2 -3.710 -6.183 -0.281 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.054 -5.516 -0.468 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.273 -4.542 0.762 1.00 0.00 H new ATOM 0 HG SER A 2 -6.572 -3.284 -0.660 1.00 0.00 H new ATOM 31 N TRP A 3 -3.421 -4.619 -3.087 1.00 0.00 N ATOM 32 CA TRP A 3 -3.296 -4.845 -4.535 1.00 0.00 C ATOM 33 C TRP A 3 -2.569 -6.160 -4.864 1.00 0.00 C ATOM 34 O TRP A 3 -2.805 -6.756 -5.918 1.00 0.00 O ATOM 35 CB TRP A 3 -2.565 -3.671 -5.187 1.00 0.00 C ATOM 36 CG TRP A 3 -1.147 -3.517 -4.723 1.00 0.00 C ATOM 37 CD1 TRP A 3 -0.710 -2.761 -3.678 1.00 0.00 C ATOM 38 CD2 TRP A 3 0.016 -4.136 -5.288 1.00 0.00 C ATOM 39 NE1 TRP A 3 0.654 -2.867 -3.556 1.00 0.00 N ATOM 40 CE2 TRP A 3 1.122 -3.708 -4.533 1.00 0.00 C ATOM 41 CE3 TRP A 3 0.227 -5.011 -6.360 1.00 0.00 C ATOM 42 CZ2 TRP A 3 2.416 -4.120 -4.813 1.00 0.00 C ATOM 43 CZ3 TRP A 3 1.524 -5.426 -6.639 1.00 0.00 C ATOM 44 CH2 TRP A 3 2.587 -4.994 -5.887 1.00 0.00 C ATOM 0 H TRP A 3 -3.043 -3.728 -2.764 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.306 -4.923 -4.937 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.572 -3.804 -6.269 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.110 -2.751 -4.975 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -1.344 -2.165 -3.038 1.00 0.00 H new ATOM 0 HE1 TRP A 3 1.225 -2.397 -2.854 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.602 -5.357 -6.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 3.255 -3.779 -4.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.698 -6.101 -7.464 1.00 0.00 H new ATOM 0 HH2 TRP A 3 3.581 -5.339 -6.132 1.00 0.00 H new ATOM 55 N MET A 4 -1.703 -6.623 -3.963 1.00 0.00 N ATOM 56 CA MET A 4 -0.950 -7.860 -4.201 1.00 0.00 C ATOM 57 C MET A 4 -1.917 -9.054 -4.286 1.00 0.00 C ATOM 58 O MET A 4 -1.865 -9.852 -5.229 1.00 0.00 O ATOM 59 CB MET A 4 0.081 -8.080 -3.096 1.00 0.00 C ATOM 60 CG MET A 4 1.237 -7.091 -3.107 1.00 0.00 C ATOM 61 SD MET A 4 2.367 -7.325 -1.721 1.00 0.00 S ATOM 62 CE MET A 4 3.097 -8.905 -2.140 1.00 0.00 C ATOM 0 H MET A 4 -1.505 -6.169 -3.071 1.00 0.00 H new ATOM 0 HA MET A 4 -0.418 -7.772 -5.148 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.422 -8.022 -2.131 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.482 -9.090 -3.186 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.789 -7.194 -4.041 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.841 -6.076 -3.080 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.982 -9.071 -1.526 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.374 -9.700 -1.957 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.380 -8.907 -3.193 1.00 0.00 H new ATOM 72 N GLN A 5 -2.788 -9.176 -3.279 1.00 0.00 N ATOM 73 CA GLN A 5 -3.889 -10.148 -3.311 1.00 0.00 C ATOM 74 C GLN A 5 -4.752 -9.970 -4.568 1.00 0.00 C ATOM 75 O GLN A 5 -5.102 -10.945 -5.227 1.00 0.00 O ATOM 76 CB GLN A 5 -4.780 -9.996 -2.063 1.00 0.00 C ATOM 77 CG GLN A 5 -4.281 -10.755 -0.843 1.00 0.00 C ATOM 78 CD GLN A 5 -5.209 -10.636 0.359 1.00 0.00 C ATOM 79 OE1 GLN A 5 -6.096 -9.791 0.398 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.030 -11.501 1.339 1.00 0.00 N ATOM 0 H GLN A 5 -2.753 -8.613 -2.429 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.445 -11.143 -3.326 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.857 -8.938 -1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.786 -10.340 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.164 -11.808 -1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.294 -10.382 -0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.283 -12.193 1.278 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.639 -11.478 2.157 1.00 0.00 H new ATOM 89 N ASN A 6 -5.066 -8.714 -4.891 1.00 0.00 N ATOM 90 CA ASN A 6 -5.946 -8.373 -6.024 1.00 0.00 C ATOM 91 C ASN A 6 -5.392 -8.879 -7.368 1.00 0.00 C ATOM 92 O ASN A 6 -6.149 -9.130 -8.305 1.00 0.00 O ATOM 93 CB ASN A 6 -6.189 -6.877 -6.096 1.00 0.00 C ATOM 94 CG ASN A 6 -7.103 -6.360 -5.021 1.00 0.00 C ATOM 95 OD1 ASN A 6 -7.872 -7.116 -4.414 1.00 0.00 O ATOM 96 ND2 ASN A 6 -7.084 -5.065 -4.837 1.00 0.00 N ATOM 0 H ASN A 6 -4.721 -7.902 -4.379 1.00 0.00 H new ATOM 0 HA ASN A 6 -6.894 -8.880 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.232 -6.359 -6.027 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.614 -6.634 -7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.723 -4.636 -4.168 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.430 -4.485 -5.363 1.00 0.00 H new ATOM 103 N LEU A 7 -4.074 -9.021 -7.458 1.00 0.00 N ATOM 104 CA LEU A 7 -3.438 -9.525 -8.680 1.00 0.00 C ATOM 105 C LEU A 7 -3.162 -11.036 -8.578 1.00 0.00 C ATOM 106 O LEU A 7 -3.630 -11.822 -9.400 1.00 0.00 O ATOM 107 CB LEU A 7 -2.136 -8.760 -8.951 1.00 0.00 C ATOM 108 CG LEU A 7 -2.309 -7.269 -9.268 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.949 -6.618 -9.475 1.00 0.00 C ATOM 110 CD2 LEU A 7 -3.178 -7.109 -10.508 1.00 0.00 C ATOM 0 H LEU A 7 -3.423 -8.796 -6.705 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.123 -9.364 -9.513 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.488 -8.857 -8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.621 -9.235 -9.786 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.800 -6.774 -8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.083 -5.560 -9.700 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.353 -6.724 -8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.436 -7.103 -10.305 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.300 -6.049 -10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.701 -7.606 -11.353 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.155 -7.557 -10.328 1.00 0.00 H new ATOM 122 N LYS A 8 -2.418 -11.425 -7.543 1.00 0.00 N ATOM 123 CA LYS A 8 -1.871 -12.784 -7.410 1.00 0.00 C ATOM 124 C LYS A 8 -2.954 -13.866 -7.125 1.00 0.00 C ATOM 125 O LYS A 8 -2.753 -15.039 -7.440 1.00 0.00 O ATOM 126 CB LYS A 8 -0.814 -12.804 -6.304 1.00 0.00 C ATOM 127 CG LYS A 8 -1.382 -12.873 -4.893 1.00 0.00 C ATOM 128 CD LYS A 8 -0.283 -12.757 -3.847 1.00 0.00 C ATOM 129 CE LYS A 8 -0.853 -12.419 -2.478 1.00 0.00 C ATOM 130 NZ LYS A 8 -1.700 -13.520 -1.941 1.00 0.00 N ATOM 0 H LYS A 8 -2.174 -10.808 -6.768 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.427 -13.039 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.158 -13.660 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.197 -11.909 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.107 -12.072 -4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.916 -13.814 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.269 -13.695 -3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.427 -11.987 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.036 -12.218 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.445 -11.506 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.041 -13.264 -0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.512 -13.672 -2.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.138 -14.393 -1.883 1.00 0.00 H new ATOM 144 N ASN A 9 -4.091 -13.485 -6.525 1.00 0.00 N ATOM 145 CA ASN A 9 -5.075 -14.469 -6.036 1.00 0.00 C ATOM 146 C ASN A 9 -5.999 -14.953 -7.161 1.00 0.00 C ATOM 147 O ASN A 9 -6.850 -15.817 -6.950 1.00 0.00 O ATOM 148 CB ASN A 9 -5.899 -13.909 -4.891 1.00 0.00 C ATOM 149 CG ASN A 9 -5.137 -13.783 -3.601 1.00 0.00 C ATOM 150 OD1 ASN A 9 -4.032 -14.319 -3.454 1.00 0.00 O ATOM 151 ND2 ASN A 9 -5.755 -13.147 -2.639 1.00 0.00 N ATOM 0 H ASN A 9 -4.353 -12.512 -6.366 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.508 -15.324 -5.668 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.279 -12.928 -5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.764 -14.552 -4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.326 -13.076 -1.716 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.666 -12.722 -2.812 1.00 0.00 H new ATOM 158 N TYR A 10 -5.834 -14.379 -8.350 1.00 0.00 N ATOM 159 CA TYR A 10 -6.656 -14.743 -9.509 1.00 0.00 C ATOM 160 C TYR A 10 -5.989 -14.342 -10.830 1.00 0.00 C ATOM 161 O TYR A 10 -5.410 -13.260 -10.949 1.00 0.00 O ATOM 162 CB TYR A 10 -8.038 -14.093 -9.404 1.00 0.00 C ATOM 163 CG TYR A 10 -9.023 -14.577 -10.445 1.00 0.00 C ATOM 164 CD1 TYR A 10 -9.804 -15.699 -10.220 1.00 0.00 C ATOM 165 CD2 TYR A 10 -9.169 -13.905 -11.650 1.00 0.00 C ATOM 166 CE1 TYR A 10 -10.705 -16.145 -11.169 1.00 0.00 C ATOM 167 CE2 TYR A 10 -10.067 -14.340 -12.606 1.00 0.00 C ATOM 168 CZ TYR A 10 -10.833 -15.462 -12.361 1.00 0.00 C ATOM 169 OH TYR A 10 -11.730 -15.900 -13.308 1.00 0.00 O ATOM 0 H TYR A 10 -5.138 -13.658 -8.540 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.764 -15.828 -9.506 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.446 -14.289 -8.413 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.929 -13.012 -9.496 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.707 -16.234 -9.287 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.571 -13.027 -11.844 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -11.305 -17.023 -10.978 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -10.169 -13.806 -13.539 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.698 -15.308 -14.088 1.00 0.00 H new ATOM 179 N GLN A 11 -6.089 -15.219 -11.824 1.00 0.00 N ATOM 180 CA GLN A 11 -5.575 -14.932 -13.163 1.00 0.00 C ATOM 181 C GLN A 11 -6.612 -14.153 -13.990 1.00 0.00 C ATOM 182 O GLN A 11 -7.517 -14.743 -14.586 1.00 0.00 O ATOM 183 CB GLN A 11 -5.199 -16.231 -13.882 1.00 0.00 C ATOM 184 CG GLN A 11 -4.714 -16.034 -15.308 1.00 0.00 C ATOM 185 CD GLN A 11 -3.492 -15.138 -15.385 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.571 -15.250 -14.572 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.479 -14.239 -16.363 1.00 0.00 N ATOM 0 H GLN A 11 -6.522 -16.138 -11.729 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.682 -14.316 -13.058 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.420 -16.737 -13.312 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.066 -16.892 -13.893 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.478 -17.004 -15.746 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.517 -15.601 -15.905 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.263 -14.181 -17.013 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.685 -13.606 -16.464 1.00 0.00 H new ATOM 196 N HIS A 12 -6.499 -12.825 -14.009 1.00 0.00 N ATOM 197 CA HIS A 12 -7.419 -11.993 -14.798 1.00 0.00 C ATOM 198 C HIS A 12 -6.693 -11.095 -15.814 1.00 0.00 C ATOM 199 O HIS A 12 -7.300 -10.635 -16.778 1.00 0.00 O ATOM 200 CB HIS A 12 -8.277 -11.128 -13.869 1.00 0.00 C ATOM 201 CG HIS A 12 -7.482 -10.359 -12.860 1.00 0.00 C ATOM 202 ND1 HIS A 12 -6.878 -9.153 -13.152 1.00 0.00 N ATOM 203 CD2 HIS A 12 -7.190 -10.622 -11.565 1.00 0.00 C ATOM 204 CE1 HIS A 12 -6.250 -8.708 -12.077 1.00 0.00 C ATOM 205 NE2 HIS A 12 -6.424 -9.581 -11.102 1.00 0.00 N ATOM 0 H HIS A 12 -5.789 -12.303 -13.495 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.051 -12.677 -15.365 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.857 -10.429 -14.471 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.989 -11.767 -13.347 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.501 -11.489 -11.001 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.690 -7.787 -12.008 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.050 -9.496 -10.157 1.00 0.00 H new ATOM 210 N LEU A 13 -5.401 -10.849 -15.616 1.00 0.00 N ATOM 211 CA LEU A 13 -4.616 -10.108 -16.612 1.00 0.00 C ATOM 212 C LEU A 13 -3.327 -10.865 -16.986 1.00 0.00 C ATOM 213 O LEU A 13 -2.836 -11.683 -16.210 1.00 0.00 O ATOM 214 CB LEU A 13 -4.281 -8.708 -16.082 1.00 0.00 C ATOM 215 CG LEU A 13 -5.484 -7.773 -15.900 1.00 0.00 C ATOM 216 CD1 LEU A 13 -5.054 -6.503 -15.179 1.00 0.00 C ATOM 217 CD2 LEU A 13 -6.083 -7.444 -17.260 1.00 0.00 C ATOM 0 H LEU A 13 -4.878 -11.144 -14.791 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.218 -10.012 -17.515 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.774 -8.812 -15.123 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.575 -8.237 -16.767 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.242 -8.270 -15.294 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.915 -5.846 -15.055 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.649 -6.760 -14.200 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.290 -5.993 -15.765 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.937 -6.780 -17.130 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.332 -6.953 -17.879 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.409 -8.364 -17.746 1.00 0.00 H new ATOM 229 N ARG A 14 -2.796 -10.610 -18.183 1.00 0.00 N ATOM 230 CA ARG A 14 -1.485 -11.144 -18.581 1.00 0.00 C ATOM 231 C ARG A 14 -0.310 -10.401 -17.918 1.00 0.00 C ATOM 232 O ARG A 14 0.843 -10.633 -18.284 1.00 0.00 O ATOM 233 CB ARG A 14 -1.328 -11.175 -20.094 1.00 0.00 C ATOM 234 CG ARG A 14 -2.242 -12.155 -20.812 1.00 0.00 C ATOM 235 CD ARG A 14 -2.097 -12.157 -22.290 1.00 0.00 C ATOM 236 NE ARG A 14 -3.031 -13.028 -22.986 1.00 0.00 N ATOM 237 CZ ARG A 14 -3.047 -13.223 -24.319 1.00 0.00 C ATOM 238 NH1 ARG A 14 -2.211 -12.586 -25.107 1.00 0.00 N ATOM 239 NH2 ARG A 14 -3.945 -14.056 -24.818 1.00 0.00 N ATOM 0 H ARG A 14 -3.250 -10.038 -18.895 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.453 -12.171 -18.216 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.514 -10.174 -20.485 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.294 -11.424 -20.332 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.043 -13.159 -20.438 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.276 -11.920 -20.561 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.227 -11.139 -22.657 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.081 -12.459 -22.542 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.722 -13.526 -22.426 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.536 -11.932 -24.712 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.237 -12.746 -26.114 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.601 -14.530 -24.197 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.982 -14.224 -25.823 1.00 0.00 H new ATOM 253 N ASP A 15 -0.583 -9.537 -16.942 1.00 0.00 N ATOM 254 CA ASP A 15 0.493 -8.774 -16.283 1.00 0.00 C ATOM 255 C ASP A 15 1.357 -9.652 -15.358 1.00 0.00 C ATOM 256 O ASP A 15 0.866 -10.201 -14.377 1.00 0.00 O ATOM 257 CB ASP A 15 -0.099 -7.609 -15.485 1.00 0.00 C ATOM 258 CG ASP A 15 0.936 -6.673 -14.877 1.00 0.00 C ATOM 259 OD1 ASP A 15 2.101 -6.990 -14.932 1.00 0.00 O ATOM 260 OD2 ASP A 15 0.575 -5.582 -14.505 1.00 0.00 O ATOM 0 H ASP A 15 -1.521 -9.345 -16.590 1.00 0.00 H new ATOM 0 HA ASP A 15 1.142 -8.392 -17.071 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.753 -7.032 -16.139 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.721 -8.011 -14.686 1.00 0.00 H new ATOM 265 N PRO A 16 2.680 -9.747 -15.629 1.00 0.00 N ATOM 266 CA PRO A 16 3.610 -10.530 -14.790 1.00 0.00 C ATOM 267 C PRO A 16 3.557 -10.124 -13.309 1.00 0.00 C ATOM 268 O PRO A 16 3.915 -10.904 -12.425 1.00 0.00 O ATOM 269 CB PRO A 16 4.985 -10.248 -15.407 1.00 0.00 C ATOM 270 CG PRO A 16 4.695 -9.938 -16.835 1.00 0.00 C ATOM 271 CD PRO A 16 3.390 -9.186 -16.823 1.00 0.00 C ATOM 0 HA PRO A 16 3.358 -11.590 -14.783 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.479 -9.412 -14.911 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.646 -11.109 -15.314 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.491 -9.338 -17.276 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.618 -10.850 -17.427 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.546 -8.111 -16.730 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.824 -9.348 -17.740 1.00 0.00 H new ATOM 279 N SER A 17 3.105 -8.894 -13.047 1.00 0.00 N ATOM 280 CA SER A 17 2.989 -8.372 -11.677 1.00 0.00 C ATOM 281 C SER A 17 2.168 -9.308 -10.774 1.00 0.00 C ATOM 282 O SER A 17 2.407 -9.383 -9.571 1.00 0.00 O ATOM 283 CB SER A 17 2.369 -6.989 -11.703 1.00 0.00 C ATOM 284 OG SER A 17 3.136 -6.082 -12.444 1.00 0.00 O ATOM 0 H SER A 17 2.811 -8.236 -13.769 1.00 0.00 H new ATOM 0 HA SER A 17 3.993 -8.313 -11.257 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.368 -7.049 -12.129 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.260 -6.622 -10.683 1.00 0.00 H new ATOM 0 HG SER A 17 3.012 -6.254 -13.401 1.00 0.00 H new ATOM 290 N GLU A 18 1.205 -10.023 -11.358 1.00 0.00 N ATOM 291 CA GLU A 18 0.412 -11.008 -10.611 1.00 0.00 C ATOM 292 C GLU A 18 1.338 -12.050 -9.941 1.00 0.00 C ATOM 293 O GLU A 18 1.159 -12.411 -8.770 1.00 0.00 O ATOM 294 CB GLU A 18 -0.593 -11.699 -11.537 1.00 0.00 C ATOM 295 CG GLU A 18 -1.722 -10.801 -12.021 1.00 0.00 C ATOM 296 CD GLU A 18 -2.625 -11.529 -12.978 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.324 -12.648 -13.315 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.674 -11.010 -13.283 1.00 0.00 O ATOM 0 H GLU A 18 0.954 -9.941 -12.343 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.142 -10.487 -9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.060 -12.091 -12.403 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.023 -12.553 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.301 -10.449 -11.167 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.305 -9.920 -12.509 1.00 0.00 H new ATOM 305 N TYR A 19 2.360 -12.490 -10.675 1.00 0.00 N ATOM 306 CA TYR A 19 3.284 -13.523 -10.185 1.00 0.00 C ATOM 307 C TYR A 19 4.470 -12.895 -9.440 1.00 0.00 C ATOM 308 O TYR A 19 5.025 -13.485 -8.517 1.00 0.00 O ATOM 309 CB TYR A 19 3.810 -14.364 -11.348 1.00 0.00 C ATOM 310 CG TYR A 19 2.726 -15.008 -12.192 1.00 0.00 C ATOM 311 CD1 TYR A 19 2.171 -16.231 -11.839 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.277 -14.400 -13.358 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.206 -16.830 -12.624 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.309 -14.991 -14.144 1.00 0.00 C ATOM 315 CZ TYR A 19 0.778 -16.206 -13.776 1.00 0.00 C ATOM 316 OH TYR A 19 -0.178 -16.803 -14.567 1.00 0.00 O ATOM 0 H TYR A 19 2.572 -12.149 -11.613 1.00 0.00 H new ATOM 0 HA TYR A 19 2.731 -14.160 -9.495 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.426 -13.733 -11.988 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.459 -15.146 -10.952 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.500 -16.722 -10.935 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.693 -13.448 -13.654 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.788 -17.784 -12.337 1.00 0.00 H new ATOM 0 HE2 TYR A 19 0.969 -14.502 -15.045 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.994 -16.261 -14.559 1.00 0.00 H new ATOM 326 N MET A 20 4.862 -11.695 -9.852 1.00 0.00 N ATOM 327 CA MET A 20 5.939 -10.963 -9.178 1.00 0.00 C ATOM 328 C MET A 20 5.491 -10.542 -7.767 1.00 0.00 C ATOM 329 O MET A 20 6.306 -10.356 -6.866 1.00 0.00 O ATOM 330 CB MET A 20 6.350 -9.742 -10.000 1.00 0.00 C ATOM 331 CG MET A 20 7.687 -9.137 -9.601 1.00 0.00 C ATOM 332 SD MET A 20 8.161 -7.746 -10.648 1.00 0.00 S ATOM 333 CE MET A 20 8.528 -8.590 -12.184 1.00 0.00 C ATOM 0 H MET A 20 4.454 -11.205 -10.648 1.00 0.00 H new ATOM 0 HA MET A 20 6.805 -11.619 -9.086 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.392 -10.025 -11.052 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.577 -8.979 -9.906 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.636 -8.805 -8.564 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.459 -9.905 -9.653 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.113 -7.934 -12.829 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.098 -9.495 -11.975 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.597 -8.855 -12.685 1.00 0.00 H new ATOM 343 N SER A 21 4.177 -10.388 -7.600 1.00 0.00 N ATOM 344 CA SER A 21 3.580 -10.096 -6.291 1.00 0.00 C ATOM 345 C SER A 21 3.336 -11.391 -5.501 1.00 0.00 C ATOM 346 O SER A 21 3.287 -11.375 -4.274 1.00 0.00 O ATOM 347 CB SER A 21 2.283 -9.329 -6.464 1.00 0.00 C ATOM 348 OG SER A 21 1.295 -10.100 -7.091 1.00 0.00 O ATOM 0 H SER A 21 3.500 -10.461 -8.359 1.00 0.00 H new ATOM 0 HA SER A 21 4.279 -9.479 -5.726 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.923 -9.002 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.469 -8.431 -7.053 1.00 0.00 H new ATOM 0 HG SER A 21 1.413 -10.056 -8.063 1.00 0.00 H new ATOM 354 N GLN A 22 3.162 -12.507 -6.222 1.00 0.00 N ATOM 355 CA GLN A 22 3.081 -13.838 -5.593 1.00 0.00 C ATOM 356 C GLN A 22 4.349 -14.145 -4.774 1.00 0.00 C ATOM 357 O GLN A 22 4.287 -14.381 -3.565 1.00 0.00 O ATOM 358 CB GLN A 22 2.877 -14.922 -6.656 1.00 0.00 C ATOM 359 CG GLN A 22 2.825 -16.335 -6.101 1.00 0.00 C ATOM 360 CD GLN A 22 2.795 -17.386 -7.196 1.00 0.00 C ATOM 361 OE1 GLN A 22 2.725 -17.061 -8.384 1.00 0.00 O ATOM 362 NE2 GLN A 22 2.843 -18.653 -6.800 1.00 0.00 N ATOM 0 H GLN A 22 3.075 -12.518 -7.238 1.00 0.00 H new ATOM 0 HA GLN A 22 2.226 -13.833 -4.917 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.950 -14.720 -7.192 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.686 -14.859 -7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.692 -16.504 -5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.941 -16.443 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.901 -18.875 -5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.822 -19.404 -7.490 1.00 0.00 H new ATOM 371 N VAL A 23 5.497 -14.146 -5.445 1.00 0.00 N ATOM 372 CA VAL A 23 6.771 -14.463 -4.795 1.00 0.00 C ATOM 373 C VAL A 23 7.677 -13.224 -4.696 1.00 0.00 C ATOM 374 O VAL A 23 8.087 -12.644 -5.701 1.00 0.00 O ATOM 375 CB VAL A 23 7.520 -15.580 -5.547 1.00 0.00 C ATOM 376 CG1 VAL A 23 8.862 -15.858 -4.887 1.00 0.00 C ATOM 377 CG2 VAL A 23 6.680 -16.847 -5.596 1.00 0.00 C ATOM 0 H VAL A 23 5.574 -13.931 -6.439 1.00 0.00 H new ATOM 0 HA VAL A 23 6.533 -14.808 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 23 7.699 -15.246 -6.569 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.378 -16.649 -5.431 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.469 -14.953 -4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.702 -16.171 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.225 -17.625 -6.131 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.470 -17.184 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.742 -16.642 -6.111 1.00 0.00 H new ATOM 387 N TYR A 24 7.989 -12.833 -3.463 1.00 0.00 N ATOM 388 CA TYR A 24 8.871 -11.688 -3.200 1.00 0.00 C ATOM 389 C TYR A 24 10.323 -11.969 -3.641 1.00 0.00 C ATOM 390 O TYR A 24 11.017 -11.071 -4.122 1.00 0.00 O ATOM 391 CB TYR A 24 8.836 -11.325 -1.714 1.00 0.00 C ATOM 392 CG TYR A 24 9.760 -10.187 -1.339 1.00 0.00 C ATOM 393 CD1 TYR A 24 9.460 -8.879 -1.690 1.00 0.00 C ATOM 394 CD2 TYR A 24 10.930 -10.425 -0.633 1.00 0.00 C ATOM 395 CE1 TYR A 24 10.301 -7.837 -1.350 1.00 0.00 C ATOM 396 CE2 TYR A 24 11.777 -9.391 -0.287 1.00 0.00 C ATOM 397 CZ TYR A 24 11.459 -8.097 -0.648 1.00 0.00 C ATOM 398 OH TYR A 24 12.300 -7.062 -0.305 1.00 0.00 O ATOM 0 H TYR A 24 7.643 -13.293 -2.621 1.00 0.00 H new ATOM 0 HA TYR A 24 8.502 -10.847 -3.788 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.816 -11.057 -1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.103 -12.205 -1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.553 -8.672 -2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 24 11.183 -11.436 -0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.053 -6.825 -1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 24 12.684 -9.593 0.263 1.00 0.00 H new ATOM 0 HH TYR A 24 13.070 -7.416 0.188 1.00 0.00 H new ATOM 408 N GLY A 25 10.773 -13.215 -3.487 1.00 0.00 N ATOM 409 CA GLY A 25 12.192 -13.531 -3.653 1.00 0.00 C ATOM 410 C GLY A 25 12.589 -13.993 -5.055 1.00 0.00 C ATOM 411 O GLY A 25 12.179 -13.405 -6.058 1.00 0.00 O ATOM 0 H GLY A 25 10.184 -14.013 -3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.778 -12.648 -3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.462 -14.310 -2.940 1.00 0.00 H new ATOM 415 N ASP A 26 13.402 -15.052 -5.112 1.00 0.00 N ATOM 416 CA ASP A 26 14.059 -15.492 -6.349 1.00 0.00 C ATOM 417 C ASP A 26 13.142 -15.394 -7.589 1.00 0.00 C ATOM 418 O ASP A 26 12.041 -15.950 -7.610 1.00 0.00 O ATOM 419 CB ASP A 26 14.560 -16.930 -6.186 1.00 0.00 C ATOM 420 CG ASP A 26 15.729 -17.084 -5.225 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.292 -16.086 -4.839 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.952 -18.177 -4.761 1.00 0.00 O ATOM 0 H ASP A 26 13.624 -15.630 -4.301 1.00 0.00 H new ATOM 0 HA ASP A 26 14.897 -14.816 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.735 -17.552 -5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.856 -17.311 -7.163 1.00 0.00 H new ATOM 427 N PRO A 27 13.608 -14.682 -8.642 1.00 0.00 N ATOM 428 CA PRO A 27 12.862 -14.510 -9.908 1.00 0.00 C ATOM 429 C PRO A 27 12.397 -15.826 -10.549 1.00 0.00 C ATOM 430 O PRO A 27 11.288 -15.905 -11.080 1.00 0.00 O ATOM 431 CB PRO A 27 13.855 -13.770 -10.810 1.00 0.00 C ATOM 432 CG PRO A 27 14.720 -13.010 -9.864 1.00 0.00 C ATOM 433 CD PRO A 27 14.891 -13.909 -8.668 1.00 0.00 C ATOM 0 HA PRO A 27 11.929 -13.972 -9.743 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.440 -14.466 -11.412 1.00 0.00 H new ATOM 0 HB3 PRO A 27 13.342 -13.103 -11.503 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.682 -12.771 -10.317 1.00 0.00 H new ATOM 0 HG3 PRO A 27 14.257 -12.064 -9.582 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.755 -14.565 -8.776 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.037 -13.338 -7.751 1.00 0.00 H new ATOM 441 N LEU A 28 13.249 -16.854 -10.488 1.00 0.00 N ATOM 442 CA LEU A 28 12.973 -18.155 -11.124 1.00 0.00 C ATOM 443 C LEU A 28 11.627 -18.740 -10.656 1.00 0.00 C ATOM 444 O LEU A 28 10.869 -19.287 -11.457 1.00 0.00 O ATOM 445 CB LEU A 28 14.112 -19.139 -10.827 1.00 0.00 C ATOM 446 CG LEU A 28 13.921 -20.550 -11.399 1.00 0.00 C ATOM 447 CD1 LEU A 28 13.846 -20.492 -12.918 1.00 0.00 C ATOM 448 CD2 LEU A 28 15.069 -21.440 -10.949 1.00 0.00 C ATOM 0 H LEU A 28 14.144 -16.813 -10.001 1.00 0.00 H new ATOM 0 HA LEU A 28 12.908 -17.994 -12.200 1.00 0.00 H new ATOM 0 HB2 LEU A 28 15.040 -18.726 -11.223 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.232 -19.215 -9.746 1.00 0.00 H new ATOM 0 HG LEU A 28 12.986 -20.969 -11.028 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.710 -21.498 -13.314 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.004 -19.868 -13.217 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.770 -20.068 -13.312 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.933 -22.442 -11.355 1.00 0.00 H new ATOM 0 HD22 LEU A 28 16.012 -21.027 -11.308 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.086 -21.489 -9.860 1.00 0.00 H new ATOM 460 N ALA A 29 11.333 -18.593 -9.367 1.00 0.00 N ATOM 461 CA ALA A 29 10.121 -19.161 -8.771 1.00 0.00 C ATOM 462 C ALA A 29 8.841 -18.713 -9.509 1.00 0.00 C ATOM 463 O ALA A 29 8.178 -19.520 -10.163 1.00 0.00 O ATOM 464 CB ALA A 29 10.046 -18.791 -7.294 1.00 0.00 C ATOM 0 H ALA A 29 11.921 -18.082 -8.709 1.00 0.00 H new ATOM 0 HA ALA A 29 10.181 -20.245 -8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.142 -19.217 -6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.920 -19.185 -6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.022 -17.706 -7.191 1.00 0.00 H new ATOM 470 N TYR A 30 8.515 -17.422 -9.425 1.00 0.00 N ATOM 471 CA TYR A 30 7.295 -16.900 -10.058 1.00 0.00 C ATOM 472 C TYR A 30 7.437 -16.779 -11.586 1.00 0.00 C ATOM 473 O TYR A 30 6.444 -16.647 -12.295 1.00 0.00 O ATOM 474 CB TYR A 30 6.933 -15.539 -9.461 1.00 0.00 C ATOM 475 CG TYR A 30 7.884 -14.427 -9.847 1.00 0.00 C ATOM 476 CD1 TYR A 30 7.814 -13.834 -11.099 1.00 0.00 C ATOM 477 CD2 TYR A 30 8.845 -13.972 -8.957 1.00 0.00 C ATOM 478 CE1 TYR A 30 8.680 -12.819 -11.459 1.00 0.00 C ATOM 479 CE2 TYR A 30 9.716 -12.957 -9.306 1.00 0.00 C ATOM 480 CZ TYR A 30 9.630 -12.383 -10.557 1.00 0.00 C ATOM 481 OH TYR A 30 10.494 -11.371 -10.908 1.00 0.00 O ATOM 0 H TYR A 30 9.070 -16.723 -8.931 1.00 0.00 H new ATOM 0 HA TYR A 30 6.497 -17.614 -9.858 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.926 -15.270 -9.780 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.911 -15.624 -8.375 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.070 -14.171 -11.805 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.914 -14.418 -7.976 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.614 -12.370 -12.439 1.00 0.00 H new ATOM 0 HE2 TYR A 30 10.460 -12.615 -8.602 1.00 0.00 H new ATOM 0 HH TYR A 30 11.099 -11.183 -10.160 1.00 0.00 H new ATOM 491 N LEU A 31 8.673 -16.824 -12.088 1.00 0.00 N ATOM 492 CA LEU A 31 8.913 -16.907 -13.536 1.00 0.00 C ATOM 493 C LEU A 31 8.388 -18.235 -14.110 1.00 0.00 C ATOM 494 O LEU A 31 7.706 -18.258 -15.141 1.00 0.00 O ATOM 495 CB LEU A 31 10.409 -16.750 -13.835 1.00 0.00 C ATOM 496 CG LEU A 31 10.794 -16.857 -15.316 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.106 -15.759 -16.115 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.306 -16.760 -15.457 1.00 0.00 C ATOM 0 H LEU A 31 9.520 -16.805 -11.520 1.00 0.00 H new ATOM 0 HA LEU A 31 8.369 -16.094 -14.017 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.738 -15.781 -13.460 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.956 -17.511 -13.278 1.00 0.00 H new ATOM 0 HG LEU A 31 10.467 -17.820 -15.708 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.386 -15.843 -17.165 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.025 -15.861 -16.018 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.414 -14.785 -15.735 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.579 -16.836 -16.510 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.648 -15.803 -15.062 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.776 -17.571 -14.901 1.00 0.00 H new ATOM 510 N GLN A 32 8.693 -19.338 -13.427 1.00 0.00 N ATOM 511 CA GLN A 32 8.171 -20.648 -13.819 1.00 0.00 C ATOM 512 C GLN A 32 6.653 -20.722 -13.615 1.00 0.00 C ATOM 513 O GLN A 32 5.951 -21.349 -14.403 1.00 0.00 O ATOM 514 CB GLN A 32 8.857 -21.758 -13.018 1.00 0.00 C ATOM 515 CG GLN A 32 10.323 -21.958 -13.361 1.00 0.00 C ATOM 516 CD GLN A 32 10.535 -22.296 -14.824 1.00 0.00 C ATOM 517 OE1 GLN A 32 9.832 -23.138 -15.389 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.510 -21.644 -15.446 1.00 0.00 N ATOM 0 H GLN A 32 9.295 -19.352 -12.604 1.00 0.00 H new ATOM 0 HA GLN A 32 8.383 -20.788 -14.879 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.772 -21.530 -11.956 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.325 -22.694 -13.187 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.877 -21.052 -13.117 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.732 -22.758 -12.743 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.067 -20.955 -14.940 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.702 -21.832 -16.430 1.00 0.00 H new ATOM 527 N GLU A 33 6.147 -20.065 -12.571 1.00 0.00 N ATOM 528 CA GLU A 33 4.696 -19.949 -12.366 1.00 0.00 C ATOM 529 C GLU A 33 4.047 -19.100 -13.480 1.00 0.00 C ATOM 530 O GLU A 33 2.941 -19.395 -13.934 1.00 0.00 O ATOM 531 CB GLU A 33 4.396 -19.343 -10.994 1.00 0.00 C ATOM 532 CG GLU A 33 2.969 -19.557 -10.511 1.00 0.00 C ATOM 533 CD GLU A 33 2.818 -20.884 -9.821 1.00 0.00 C ATOM 534 OE1 GLU A 33 2.990 -21.890 -10.466 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.643 -20.894 -8.625 1.00 0.00 O ATOM 0 H GLU A 33 6.713 -19.607 -11.857 1.00 0.00 H new ATOM 0 HA GLU A 33 4.268 -20.951 -12.407 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.082 -19.771 -10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.597 -18.272 -11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.691 -18.755 -9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.285 -19.505 -11.358 1.00 0.00 H new ATOM 542 N THR A 34 4.753 -18.061 -13.936 1.00 0.00 N ATOM 543 CA THR A 34 4.262 -17.209 -15.037 1.00 0.00 C ATOM 544 C THR A 34 4.116 -18.005 -16.343 1.00 0.00 C ATOM 545 O THR A 34 3.163 -17.815 -17.103 1.00 0.00 O ATOM 546 CB THR A 34 5.196 -16.011 -15.285 1.00 0.00 C ATOM 547 OG1 THR A 34 5.252 -15.193 -14.108 1.00 0.00 O ATOM 548 CG2 THR A 34 4.696 -15.176 -16.454 1.00 0.00 C ATOM 0 H THR A 34 5.663 -17.786 -13.566 1.00 0.00 H new ATOM 0 HA THR A 34 3.283 -16.842 -14.729 1.00 0.00 H new ATOM 0 HB THR A 34 6.191 -16.389 -15.521 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.345 -15.048 -13.767 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.369 -14.334 -16.614 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.664 -15.791 -17.353 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.695 -14.804 -16.234 1.00 0.00 H new ATOM 556 N THR A 35 5.077 -18.888 -16.602 1.00 0.00 N ATOM 557 CA THR A 35 5.117 -19.653 -17.861 1.00 0.00 C ATOM 558 C THR A 35 4.301 -20.962 -17.780 1.00 0.00 C ATOM 559 O THR A 35 3.824 -21.472 -18.800 1.00 0.00 O ATOM 560 CB THR A 35 6.565 -19.995 -18.257 1.00 0.00 C ATOM 561 OG1 THR A 35 7.173 -20.782 -17.223 1.00 0.00 O ATOM 562 CG2 THR A 35 7.377 -18.725 -18.462 1.00 0.00 C ATOM 0 H THR A 35 5.842 -19.097 -15.961 1.00 0.00 H new ATOM 0 HA THR A 35 4.668 -19.011 -18.619 1.00 0.00 H new ATOM 0 HB THR A 35 6.546 -20.558 -19.190 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.558 -20.855 -16.463 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.398 -18.987 -18.741 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.925 -18.128 -19.255 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.391 -18.149 -17.537 1.00 0.00 H new ATOM 570 N LYS A 36 4.118 -21.495 -16.572 1.00 0.00 N ATOM 571 CA LYS A 36 3.424 -22.780 -16.389 1.00 0.00 C ATOM 572 C LYS A 36 2.174 -22.668 -15.486 1.00 0.00 C ATOM 573 O LYS A 36 1.125 -23.239 -15.802 1.00 0.00 O ATOM 574 CB LYS A 36 4.391 -23.814 -15.809 1.00 0.00 C ATOM 575 CG LYS A 36 5.636 -24.054 -16.652 1.00 0.00 C ATOM 576 CD LYS A 36 5.283 -24.687 -17.991 1.00 0.00 C ATOM 577 CE LYS A 36 6.525 -24.914 -18.840 1.00 0.00 C ATOM 578 NZ LYS A 36 6.189 -25.463 -20.182 1.00 0.00 N ATOM 0 H LYS A 36 4.438 -21.062 -15.705 1.00 0.00 H new ATOM 0 HA LYS A 36 3.078 -23.096 -17.373 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.698 -23.489 -14.815 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.862 -24.759 -15.687 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.153 -23.109 -16.819 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.325 -24.703 -16.111 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.776 -25.637 -17.824 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.586 -24.043 -18.527 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.061 -23.972 -18.957 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.196 -25.601 -18.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.063 -25.603 -20.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.700 -26.374 -20.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.569 -24.796 -20.685 1.00 0.00 H new ATOM 592 N PHE A 37 2.306 -21.957 -14.359 1.00 0.00 N ATOM 593 CA PHE A 37 1.222 -21.800 -13.359 1.00 0.00 C ATOM 594 C PHE A 37 1.094 -23.057 -12.464 1.00 0.00 C ATOM 595 O PHE A 37 0.300 -23.098 -11.516 1.00 0.00 O ATOM 596 CB PHE A 37 -0.120 -21.466 -14.052 1.00 0.00 C ATOM 597 CG PHE A 37 -1.193 -20.938 -13.124 1.00 0.00 C ATOM 598 CD1 PHE A 37 -1.313 -19.575 -12.890 1.00 0.00 C ATOM 599 CD2 PHE A 37 -2.085 -21.798 -12.496 1.00 0.00 C ATOM 600 CE1 PHE A 37 -2.293 -19.082 -12.050 1.00 0.00 C ATOM 601 CE2 PHE A 37 -3.066 -21.309 -11.654 1.00 0.00 C ATOM 602 CZ PHE A 37 -3.170 -19.950 -11.430 1.00 0.00 C ATOM 0 H PHE A 37 3.166 -21.470 -14.107 1.00 0.00 H new ATOM 0 HA PHE A 37 1.483 -20.964 -12.711 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.063 -20.727 -14.832 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.493 -22.364 -14.544 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.631 -18.890 -13.371 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.011 -22.862 -12.668 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.373 -18.019 -11.878 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.751 -21.990 -11.171 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.936 -19.567 -10.771 1.00 0.00 H new ATOM 612 N VAL A 38 1.914 -24.071 -12.752 1.00 0.00 N ATOM 613 CA VAL A 38 1.788 -25.404 -12.143 1.00 0.00 C ATOM 614 C VAL A 38 3.170 -25.986 -11.786 1.00 0.00 C ATOM 615 O VAL A 38 4.203 -25.435 -12.163 1.00 0.00 O ATOM 616 CB VAL A 38 1.054 -26.382 -13.079 1.00 0.00 C ATOM 617 CG1 VAL A 38 -0.367 -25.904 -13.342 1.00 0.00 C ATOM 618 CG2 VAL A 38 1.812 -26.539 -14.388 1.00 0.00 C ATOM 0 H VAL A 38 2.686 -23.994 -13.414 1.00 0.00 H new ATOM 0 HA VAL A 38 1.204 -25.281 -11.231 1.00 0.00 H new ATOM 0 HB VAL A 38 1.006 -27.355 -12.589 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.871 -26.607 -14.005 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.910 -25.842 -12.399 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.339 -24.920 -13.810 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.278 -27.234 -15.036 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.891 -25.570 -14.881 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.811 -26.926 -14.186 1.00 0.00 H new ATOM 628 N THR A 39 3.186 -27.109 -11.068 1.00 0.00 N ATOM 629 CA THR A 39 4.454 -27.732 -10.652 1.00 0.00 C ATOM 630 C THR A 39 5.420 -27.964 -11.834 1.00 0.00 C ATOM 631 O THR A 39 5.182 -28.795 -12.710 1.00 0.00 O ATOM 632 CB THR A 39 4.203 -29.076 -9.944 1.00 0.00 C ATOM 633 OG1 THR A 39 3.300 -28.881 -8.849 1.00 0.00 O ATOM 634 CG2 THR A 39 5.509 -29.656 -9.423 1.00 0.00 C ATOM 0 H THR A 39 2.349 -27.605 -10.763 1.00 0.00 H new ATOM 0 HA THR A 39 4.921 -27.029 -9.963 1.00 0.00 H new ATOM 0 HB THR A 39 3.769 -29.772 -10.662 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.423 -28.610 -9.192 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.313 -30.606 -8.926 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.193 -29.817 -10.256 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.958 -28.961 -8.714 1.00 0.00 H new ATOM 642 N GLU A 40 6.506 -27.192 -11.858 1.00 0.00 N ATOM 643 CA GLU A 40 7.599 -27.390 -12.825 1.00 0.00 C ATOM 644 C GLU A 40 8.890 -27.842 -12.118 1.00 0.00 C ATOM 645 O GLU A 40 9.163 -27.432 -10.992 1.00 0.00 O ATOM 646 CB GLU A 40 7.853 -26.106 -13.617 1.00 0.00 C ATOM 647 CG GLU A 40 8.773 -26.279 -14.817 1.00 0.00 C ATOM 648 CD GLU A 40 8.342 -27.436 -15.674 1.00 0.00 C ATOM 649 OE1 GLU A 40 8.384 -28.548 -15.204 1.00 0.00 O ATOM 650 OE2 GLU A 40 7.864 -27.200 -16.759 1.00 0.00 O ATOM 0 H GLU A 40 6.658 -26.415 -11.215 1.00 0.00 H new ATOM 0 HA GLU A 40 7.296 -28.176 -13.516 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.897 -25.711 -13.961 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.284 -25.361 -12.949 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.775 -25.365 -15.411 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.795 -26.439 -14.474 1.00 0.00 H new ATOM 657 N ARG A 41 9.694 -28.680 -12.782 1.00 0.00 N ATOM 658 CA ARG A 41 10.928 -29.196 -12.174 1.00 0.00 C ATOM 659 C ARG A 41 11.727 -28.064 -11.512 1.00 0.00 C ATOM 660 O ARG A 41 12.008 -28.109 -10.318 1.00 0.00 O ATOM 661 CB ARG A 41 11.779 -29.972 -13.168 1.00 0.00 C ATOM 662 CG ARG A 41 13.087 -30.507 -12.610 1.00 0.00 C ATOM 663 CD ARG A 41 13.910 -31.260 -13.591 1.00 0.00 C ATOM 664 NE ARG A 41 15.272 -31.529 -13.156 1.00 0.00 N ATOM 665 CZ ARG A 41 16.184 -32.211 -13.875 1.00 0.00 C ATOM 666 NH1 ARG A 41 15.877 -32.726 -15.044 1.00 0.00 N ATOM 667 NH2 ARG A 41 17.392 -32.370 -13.361 1.00 0.00 N ATOM 0 H ARG A 41 9.517 -29.013 -13.730 1.00 0.00 H new ATOM 0 HA ARG A 41 10.635 -29.902 -11.397 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.194 -30.809 -13.549 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.001 -29.325 -14.017 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.673 -29.672 -12.227 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.868 -31.157 -11.763 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.417 -32.208 -13.808 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.945 -30.698 -14.524 1.00 0.00 H new ATOM 0 HE ARG A 41 15.556 -31.176 -12.242 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.936 -32.612 -15.420 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.580 -33.240 -15.575 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.611 -31.981 -12.444 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.104 -32.882 -13.881 1.00 0.00 H new ATOM 681 N GLU A 42 12.052 -27.033 -12.286 1.00 0.00 N ATOM 682 CA GLU A 42 12.887 -25.927 -11.798 1.00 0.00 C ATOM 683 C GLU A 42 12.173 -25.143 -10.676 1.00 0.00 C ATOM 684 O GLU A 42 12.809 -24.540 -9.816 1.00 0.00 O ATOM 685 CB GLU A 42 13.254 -24.987 -12.949 1.00 0.00 C ATOM 686 CG GLU A 42 14.243 -25.572 -13.948 1.00 0.00 C ATOM 687 CD GLU A 42 14.500 -24.621 -15.084 1.00 0.00 C ATOM 688 OE1 GLU A 42 13.884 -23.581 -15.114 1.00 0.00 O ATOM 689 OE2 GLU A 42 15.389 -24.880 -15.859 1.00 0.00 O ATOM 0 H GLU A 42 11.752 -26.935 -13.256 1.00 0.00 H new ATOM 0 HA GLU A 42 13.801 -26.354 -11.385 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.343 -24.708 -13.479 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.674 -24.071 -12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.181 -25.800 -13.443 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.855 -26.512 -14.339 1.00 0.00 H new ATOM 696 N TYR A 43 10.842 -25.178 -10.703 1.00 0.00 N ATOM 697 CA TYR A 43 10.000 -24.485 -9.717 1.00 0.00 C ATOM 698 C TYR A 43 10.171 -25.072 -8.302 1.00 0.00 C ATOM 699 O TYR A 43 10.023 -24.359 -7.311 1.00 0.00 O ATOM 700 CB TYR A 43 8.530 -24.553 -10.136 1.00 0.00 C ATOM 701 CG TYR A 43 7.631 -23.603 -9.375 1.00 0.00 C ATOM 702 CD1 TYR A 43 8.163 -22.547 -8.650 1.00 0.00 C ATOM 703 CD2 TYR A 43 6.254 -23.767 -9.386 1.00 0.00 C ATOM 704 CE1 TYR A 43 7.346 -21.678 -7.952 1.00 0.00 C ATOM 705 CE2 TYR A 43 5.428 -22.902 -8.694 1.00 0.00 C ATOM 706 CZ TYR A 43 5.978 -21.859 -7.977 1.00 0.00 C ATOM 707 OH TYR A 43 5.160 -20.995 -7.286 1.00 0.00 O ATOM 0 H TYR A 43 10.311 -25.688 -11.409 1.00 0.00 H new ATOM 0 HA TYR A 43 10.322 -23.444 -9.686 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.455 -24.334 -11.201 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.169 -25.572 -9.994 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.233 -22.402 -8.631 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.820 -24.584 -9.944 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.776 -20.862 -7.390 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.357 -23.041 -8.714 1.00 0.00 H new ATOM 0 HH TYR A 43 4.293 -20.932 -7.739 1.00 0.00 H new ATOM 717 N TYR A 44 10.478 -26.372 -8.205 1.00 0.00 N ATOM 718 CA TYR A 44 10.701 -27.008 -6.890 1.00 0.00 C ATOM 719 C TYR A 44 12.072 -27.706 -6.767 1.00 0.00 C ATOM 720 O TYR A 44 12.391 -28.249 -5.713 1.00 0.00 O ATOM 721 CB TYR A 44 9.588 -28.019 -6.608 1.00 0.00 C ATOM 722 CG TYR A 44 9.615 -29.230 -7.515 1.00 0.00 C ATOM 723 CD1 TYR A 44 10.423 -30.319 -7.224 1.00 0.00 C ATOM 724 CD2 TYR A 44 8.831 -29.280 -8.657 1.00 0.00 C ATOM 725 CE1 TYR A 44 10.453 -31.428 -8.049 1.00 0.00 C ATOM 726 CE2 TYR A 44 8.851 -30.384 -9.488 1.00 0.00 C ATOM 727 CZ TYR A 44 9.664 -31.456 -9.180 1.00 0.00 C ATOM 728 OH TYR A 44 9.686 -32.558 -10.004 1.00 0.00 O ATOM 0 H TYR A 44 10.578 -26.999 -9.003 1.00 0.00 H new ATOM 0 HA TYR A 44 10.689 -26.205 -6.153 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.666 -28.351 -5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.624 -27.521 -6.711 1.00 0.00 H new ATOM 0 HD1 TYR A 44 11.040 -30.300 -6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.194 -28.443 -8.901 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.090 -32.267 -7.810 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.234 -30.408 -10.374 1.00 0.00 H new ATOM 0 HH TYR A 44 9.072 -32.417 -10.755 1.00 0.00 H new ATOM 738 N GLU A 45 12.879 -27.688 -7.830 1.00 0.00 N ATOM 739 CA GLU A 45 14.205 -28.339 -7.817 1.00 0.00 C ATOM 740 C GLU A 45 15.216 -27.600 -6.916 1.00 0.00 C ATOM 741 O GLU A 45 15.743 -28.170 -5.959 1.00 0.00 O ATOM 742 CB GLU A 45 14.757 -28.440 -9.241 1.00 0.00 C ATOM 743 CG GLU A 45 16.139 -29.070 -9.337 1.00 0.00 C ATOM 744 CD GLU A 45 16.519 -29.338 -10.766 1.00 0.00 C ATOM 745 OE1 GLU A 45 16.529 -28.412 -11.542 1.00 0.00 O ATOM 746 OE2 GLU A 45 16.908 -30.443 -11.060 1.00 0.00 O ATOM 0 H GLU A 45 12.645 -27.233 -8.712 1.00 0.00 H new ATOM 0 HA GLU A 45 14.067 -29.337 -7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.063 -29.023 -9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.796 -27.441 -9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.875 -28.408 -8.881 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.156 -30.003 -8.773 1.00 0.00 H new ATOM 753 N ASP A 46 15.494 -26.338 -7.229 1.00 0.00 N ATOM 754 CA ASP A 46 16.425 -25.536 -6.426 1.00 0.00 C ATOM 755 C ASP A 46 15.731 -24.895 -5.212 1.00 0.00 C ATOM 756 O ASP A 46 16.348 -24.131 -4.459 1.00 0.00 O ATOM 757 CB ASP A 46 17.075 -24.452 -7.289 1.00 0.00 C ATOM 758 CG ASP A 46 18.072 -24.978 -8.313 1.00 0.00 C ATOM 759 OD1 ASP A 46 18.486 -26.106 -8.185 1.00 0.00 O ATOM 760 OD2 ASP A 46 18.292 -24.311 -9.295 1.00 0.00 O ATOM 0 H ASP A 46 15.093 -25.846 -8.028 1.00 0.00 H new ATOM 0 HA ASP A 46 17.195 -26.210 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.292 -23.902 -7.811 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.583 -23.741 -6.637 1.00 0.00 H new ATOM 765 N PHE A 47 14.457 -25.216 -5.020 1.00 0.00 N ATOM 766 CA PHE A 47 13.645 -24.585 -3.974 1.00 0.00 C ATOM 767 C PHE A 47 13.245 -25.583 -2.870 1.00 0.00 C ATOM 768 O PHE A 47 13.388 -26.796 -3.021 1.00 0.00 O ATOM 769 CB PHE A 47 12.394 -23.956 -4.589 1.00 0.00 C ATOM 770 CG PHE A 47 12.687 -22.841 -5.551 1.00 0.00 C ATOM 771 CD1 PHE A 47 12.812 -21.534 -5.104 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.840 -23.096 -6.906 1.00 0.00 C ATOM 773 CE1 PHE A 47 13.081 -20.506 -5.988 1.00 0.00 C ATOM 774 CE2 PHE A 47 13.110 -22.071 -7.792 1.00 0.00 C ATOM 775 CZ PHE A 47 13.231 -20.776 -7.334 1.00 0.00 C ATOM 0 H PHE A 47 13.958 -25.912 -5.575 1.00 0.00 H new ATOM 0 HA PHE A 47 14.255 -23.810 -3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.826 -24.730 -5.106 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.759 -23.576 -3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.698 -21.317 -4.052 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.747 -24.108 -7.273 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.174 -19.493 -5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.226 -22.284 -8.844 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.443 -19.975 -8.026 1.00 0.00 H new ATOM 785 N GLY A 48 12.736 -25.058 -1.757 1.00 0.00 N ATOM 786 CA GLY A 48 12.241 -25.916 -0.683 1.00 0.00 C ATOM 787 C GLY A 48 12.215 -25.231 0.680 1.00 0.00 C ATOM 788 O GLY A 48 11.321 -25.478 1.491 1.00 0.00 O ATOM 0 H GLY A 48 12.656 -24.057 -1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.234 -26.251 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.867 -26.806 -0.622 1.00 0.00 H new ATOM 792 N TYR A 49 13.191 -24.366 0.935 1.00 0.00 N ATOM 793 CA TYR A 49 13.253 -23.622 2.204 1.00 0.00 C ATOM 794 C TYR A 49 13.506 -22.125 1.975 1.00 0.00 C ATOM 795 O TYR A 49 14.370 -21.746 1.190 1.00 0.00 O ATOM 796 CB TYR A 49 14.343 -24.202 3.109 1.00 0.00 C ATOM 797 CG TYR A 49 13.982 -25.534 3.725 1.00 0.00 C ATOM 798 CD1 TYR A 49 13.316 -25.599 4.940 1.00 0.00 C ATOM 799 CD2 TYR A 49 14.310 -26.725 3.093 1.00 0.00 C ATOM 800 CE1 TYR A 49 12.984 -26.813 5.510 1.00 0.00 C ATOM 801 CE2 TYR A 49 13.982 -27.945 3.652 1.00 0.00 C ATOM 802 CZ TYR A 49 13.319 -27.985 4.862 1.00 0.00 C ATOM 803 OH TYR A 49 12.992 -29.197 5.425 1.00 0.00 O ATOM 0 H TYR A 49 13.951 -24.158 0.287 1.00 0.00 H new ATOM 0 HA TYR A 49 12.284 -23.727 2.692 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.259 -24.317 2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.557 -23.490 3.906 1.00 0.00 H new ATOM 0 HD1 TYR A 49 13.052 -24.684 5.450 1.00 0.00 H new ATOM 0 HD2 TYR A 49 14.831 -26.698 2.147 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.465 -26.845 6.457 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.243 -28.862 3.145 1.00 0.00 H new ATOM 0 HH TYR A 49 13.472 -29.914 4.960 1.00 0.00 H new ATOM 813 N GLY A 50 12.750 -21.284 2.678 1.00 0.00 N ATOM 814 CA GLY A 50 12.902 -19.836 2.557 1.00 0.00 C ATOM 815 C GLY A 50 11.560 -19.113 2.591 1.00 0.00 C ATOM 816 O GLY A 50 10.524 -19.755 2.748 1.00 0.00 O ATOM 0 H GLY A 50 12.028 -21.579 3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.531 -19.469 3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.415 -19.603 1.624 1.00 0.00 H new ATOM 820 N GLU A 51 11.578 -17.786 2.433 1.00 0.00 N ATOM 821 CA GLU A 51 10.343 -16.978 2.407 1.00 0.00 C ATOM 822 C GLU A 51 9.239 -17.656 1.585 1.00 0.00 C ATOM 823 O GLU A 51 8.165 -17.955 2.094 1.00 0.00 O ATOM 824 CB GLU A 51 10.627 -15.583 1.846 1.00 0.00 C ATOM 825 CG GLU A 51 11.345 -14.650 2.811 1.00 0.00 C ATOM 826 CD GLU A 51 10.370 -13.911 3.684 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.671 -14.549 4.434 1.00 0.00 O ATOM 828 OE2 GLU A 51 10.401 -12.703 3.683 1.00 0.00 O ATOM 0 H GLU A 51 12.434 -17.242 2.320 1.00 0.00 H new ATOM 0 HA GLU A 51 9.991 -16.888 3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.228 -15.684 0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.683 -15.124 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.031 -15.225 3.434 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.947 -13.936 2.249 1.00 0.00 H new ATOM 835 N CYS A 52 9.519 -17.884 0.309 1.00 0.00 N ATOM 836 CA CYS A 52 8.693 -18.757 -0.527 1.00 0.00 C ATOM 837 C CYS A 52 9.557 -19.879 -1.115 1.00 0.00 C ATOM 838 O CYS A 52 9.748 -19.962 -2.328 1.00 0.00 O ATOM 839 CB CYS A 52 8.197 -17.815 -1.625 1.00 0.00 C ATOM 840 SG CYS A 52 7.181 -16.442 -1.032 1.00 0.00 S ATOM 0 H CYS A 52 10.317 -17.475 -0.176 1.00 0.00 H new ATOM 0 HA CYS A 52 7.879 -19.244 0.010 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.059 -17.410 -2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.620 -18.392 -2.348 1.00 0.00 H new ATOM 0 HG CYS A 52 6.329 -16.103 -1.953 1.00 0.00 H new ATOM 846 N PHE A 53 10.121 -20.714 -0.232 1.00 0.00 N ATOM 847 CA PHE A 53 11.002 -21.829 -0.641 1.00 0.00 C ATOM 848 C PHE A 53 12.306 -21.333 -1.302 1.00 0.00 C ATOM 849 O PHE A 53 13.074 -22.130 -1.843 1.00 0.00 O ATOM 850 CB PHE A 53 10.272 -22.782 -1.608 1.00 0.00 C ATOM 851 CG PHE A 53 9.183 -23.637 -0.992 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.777 -23.454 0.321 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.558 -24.627 -1.746 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.777 -24.238 0.864 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.560 -25.407 -1.203 1.00 0.00 C ATOM 856 CZ PHE A 53 7.168 -25.212 0.102 1.00 0.00 C ATOM 0 H PHE A 53 9.985 -20.642 0.776 1.00 0.00 H new ATOM 0 HA PHE A 53 11.265 -22.364 0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.833 -22.189 -2.410 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.010 -23.441 -2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.247 -22.692 0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.860 -24.786 -2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.472 -24.087 1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.086 -26.171 -1.801 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.385 -25.821 0.528 1.00 0.00 H new ATOM 866 N ASN A 54 12.563 -20.028 -1.234 1.00 0.00 N ATOM 867 CA ASN A 54 13.609 -19.400 -2.052 1.00 0.00 C ATOM 868 C ASN A 54 14.892 -19.115 -1.248 1.00 0.00 C ATOM 869 O ASN A 54 14.958 -19.368 -0.045 1.00 0.00 O ATOM 870 CB ASN A 54 13.102 -18.121 -2.692 1.00 0.00 C ATOM 871 CG ASN A 54 12.768 -17.039 -1.703 1.00 0.00 C ATOM 872 OD1 ASN A 54 13.547 -16.744 -0.789 1.00 0.00 O ATOM 873 ND2 ASN A 54 11.581 -16.503 -1.831 1.00 0.00 N ATOM 0 H ASN A 54 12.064 -19.382 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 54 13.863 -20.115 -2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.857 -17.748 -3.384 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.214 -18.348 -3.282 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.261 -15.807 -1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.976 -16.781 -2.604 1.00 0.00 H new ATOM 880 N SER A 55 15.904 -18.568 -1.928 1.00 0.00 N ATOM 881 CA SER A 55 17.183 -18.211 -1.288 1.00 0.00 C ATOM 882 C SER A 55 17.388 -16.687 -1.279 1.00 0.00 C ATOM 883 O SER A 55 18.504 -16.191 -1.440 1.00 0.00 O ATOM 884 CB SER A 55 18.336 -18.893 -1.999 1.00 0.00 C ATOM 885 OG SER A 55 18.395 -18.547 -3.356 1.00 0.00 O ATOM 0 H SER A 55 15.866 -18.360 -2.926 1.00 0.00 H new ATOM 0 HA SER A 55 17.153 -18.556 -0.254 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.273 -18.620 -1.514 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.232 -19.974 -1.905 1.00 0.00 H new ATOM 0 HG SER A 55 17.497 -18.594 -3.745 1.00 0.00 H new ATOM 891 N THR A 56 16.288 -15.959 -1.111 1.00 0.00 N ATOM 892 CA THR A 56 16.303 -14.493 -0.998 1.00 0.00 C ATOM 893 C THR A 56 16.135 -14.012 0.456 1.00 0.00 C ATOM 894 O THR A 56 15.292 -14.516 1.197 1.00 0.00 O ATOM 895 CB THR A 56 15.196 -13.858 -1.861 1.00 0.00 C ATOM 896 OG1 THR A 56 15.460 -14.116 -3.246 1.00 0.00 O ATOM 897 CG2 THR A 56 15.136 -12.356 -1.631 1.00 0.00 C ATOM 0 H THR A 56 15.354 -16.365 -1.048 1.00 0.00 H new ATOM 0 HA THR A 56 17.282 -14.174 -1.356 1.00 0.00 H new ATOM 0 HB THR A 56 14.239 -14.297 -1.578 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.722 -15.053 -3.360 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.348 -11.924 -2.249 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.923 -12.157 -0.581 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.093 -11.908 -1.898 1.00 0.00 H new ATOM 905 N GLU A 57 16.947 -13.024 0.850 1.00 0.00 N ATOM 906 CA GLU A 57 16.901 -12.444 2.204 1.00 0.00 C ATOM 907 C GLU A 57 15.470 -12.124 2.689 1.00 0.00 C ATOM 908 O GLU A 57 14.789 -11.252 2.139 1.00 0.00 O ATOM 909 CB GLU A 57 17.756 -11.176 2.251 1.00 0.00 C ATOM 910 CG GLU A 57 17.844 -10.529 3.627 1.00 0.00 C ATOM 911 CD GLU A 57 18.706 -11.337 4.556 1.00 0.00 C ATOM 912 OE1 GLU A 57 19.258 -12.319 4.121 1.00 0.00 O ATOM 913 OE2 GLU A 57 18.905 -10.913 5.670 1.00 0.00 O ATOM 0 H GLU A 57 17.652 -12.603 0.245 1.00 0.00 H new ATOM 0 HA GLU A 57 17.298 -13.201 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 57 18.763 -11.418 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 57 17.348 -10.451 1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 57 18.251 -9.522 3.533 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.844 -10.430 4.049 1.00 0.00 H new ATOM 920 N SER A 58 15.021 -12.853 3.709 1.00 0.00 N ATOM 921 CA SER A 58 13.692 -12.644 4.297 1.00 0.00 C ATOM 922 C SER A 58 13.476 -11.169 4.685 1.00 0.00 C ATOM 923 O SER A 58 14.090 -10.674 5.635 1.00 0.00 O ATOM 924 CB SER A 58 13.511 -13.541 5.506 1.00 0.00 C ATOM 925 OG SER A 58 12.235 -13.417 6.070 1.00 0.00 O ATOM 0 H SER A 58 15.559 -13.599 4.150 1.00 0.00 H new ATOM 0 HA SER A 58 12.945 -12.903 3.546 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.679 -14.578 5.215 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.263 -13.294 6.255 1.00 0.00 H new ATOM 0 HG SER A 58 12.061 -14.182 6.657 1.00 0.00 H new ATOM 931 N GLU A 59 12.593 -10.471 3.965 1.00 0.00 N ATOM 932 CA GLU A 59 12.272 -9.071 4.301 1.00 0.00 C ATOM 933 C GLU A 59 10.755 -8.797 4.393 1.00 0.00 C ATOM 934 O GLU A 59 10.340 -7.699 4.780 1.00 0.00 O ATOM 935 CB GLU A 59 12.902 -8.133 3.270 1.00 0.00 C ATOM 936 CG GLU A 59 14.424 -8.108 3.290 1.00 0.00 C ATOM 937 CD GLU A 59 14.969 -7.157 2.261 1.00 0.00 C ATOM 938 OE1 GLU A 59 14.736 -7.375 1.096 1.00 0.00 O ATOM 939 OE2 GLU A 59 15.520 -6.153 2.643 1.00 0.00 O ATOM 0 H GLU A 59 12.092 -10.840 3.157 1.00 0.00 H new ATOM 0 HA GLU A 59 12.687 -8.885 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.569 -8.429 2.275 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.532 -7.122 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.772 -7.814 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.809 -9.110 3.102 1.00 0.00 H new ATOM 946 N VAL A 60 9.930 -9.791 4.064 1.00 0.00 N ATOM 947 CA VAL A 60 8.467 -9.602 4.035 1.00 0.00 C ATOM 948 C VAL A 60 7.719 -10.663 4.882 1.00 0.00 C ATOM 949 O VAL A 60 6.509 -10.565 5.112 1.00 0.00 O ATOM 950 CB VAL A 60 7.933 -9.650 2.591 1.00 0.00 C ATOM 951 CG1 VAL A 60 8.494 -8.493 1.778 1.00 0.00 C ATOM 952 CG2 VAL A 60 8.280 -10.978 1.937 1.00 0.00 C ATOM 0 H VAL A 60 10.240 -10.730 3.815 1.00 0.00 H new ATOM 0 HA VAL A 60 8.278 -8.619 4.467 1.00 0.00 H new ATOM 0 HB VAL A 60 6.848 -9.556 2.622 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.107 -8.542 0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.196 -7.549 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.582 -8.558 1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.895 -10.993 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.363 -11.102 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.832 -11.792 2.507 1.00 0.00 H new ATOM 962 N GLN A 61 8.469 -11.666 5.356 1.00 0.00 N ATOM 963 CA GLN A 61 7.968 -12.715 6.273 1.00 0.00 C ATOM 964 C GLN A 61 6.917 -13.649 5.634 1.00 0.00 C ATOM 965 O GLN A 61 6.001 -14.124 6.313 1.00 0.00 O ATOM 966 CB GLN A 61 7.366 -12.068 7.523 1.00 0.00 C ATOM 967 CG GLN A 61 8.348 -11.234 8.327 1.00 0.00 C ATOM 968 CD GLN A 61 7.727 -10.662 9.587 1.00 0.00 C ATOM 969 OE1 GLN A 61 6.529 -10.823 9.833 1.00 0.00 O ATOM 970 NE2 GLN A 61 8.539 -9.985 10.391 1.00 0.00 N ATOM 0 H GLN A 61 9.454 -11.779 5.115 1.00 0.00 H new ATOM 0 HA GLN A 61 8.830 -13.332 6.527 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.529 -11.436 7.224 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.961 -12.851 8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.207 -11.849 8.596 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.721 -10.419 7.707 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.524 -9.877 10.148 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.178 -9.573 11.252 1.00 0.00 H new ATOM 979 N CYS A 62 7.072 -13.951 4.345 1.00 0.00 N ATOM 980 CA CYS A 62 6.272 -15.006 3.705 1.00 0.00 C ATOM 981 C CYS A 62 6.494 -16.363 4.381 1.00 0.00 C ATOM 982 O CYS A 62 5.608 -17.218 4.376 1.00 0.00 O ATOM 983 CB CYS A 62 6.815 -15.023 2.276 1.00 0.00 C ATOM 984 SG CYS A 62 6.358 -13.581 1.283 1.00 0.00 S ATOM 0 H CYS A 62 7.736 -13.488 3.725 1.00 0.00 H new ATOM 0 HA CYS A 62 5.199 -14.822 3.765 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.902 -15.092 2.315 1.00 0.00 H new ATOM 0 HB3 CYS A 62 6.456 -15.922 1.775 1.00 0.00 H new ATOM 0 HG CYS A 62 5.116 -13.685 0.912 1.00 0.00 H new ATOM 990 N GLU A 63 7.672 -16.551 4.988 1.00 0.00 N ATOM 991 CA GLU A 63 7.959 -17.781 5.747 1.00 0.00 C ATOM 992 C GLU A 63 6.920 -18.013 6.866 1.00 0.00 C ATOM 993 O GLU A 63 6.764 -19.125 7.375 1.00 0.00 O ATOM 994 CB GLU A 63 9.367 -17.722 6.343 1.00 0.00 C ATOM 995 CG GLU A 63 9.556 -16.646 7.404 1.00 0.00 C ATOM 996 CD GLU A 63 10.966 -16.636 7.925 1.00 0.00 C ATOM 997 OE1 GLU A 63 11.420 -17.659 8.379 1.00 0.00 O ATOM 998 OE2 GLU A 63 11.629 -15.637 7.769 1.00 0.00 O ATOM 0 H GLU A 63 8.437 -15.876 4.971 1.00 0.00 H new ATOM 0 HA GLU A 63 7.898 -18.619 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.604 -18.692 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.082 -17.551 5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.315 -15.670 6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.863 -16.818 8.227 1.00 0.00 H new ATOM 1005 N LEU A 64 6.224 -16.949 7.250 1.00 0.00 N ATOM 1006 CA LEU A 64 5.155 -17.015 8.245 1.00 0.00 C ATOM 1007 C LEU A 64 3.853 -16.484 7.624 1.00 0.00 C ATOM 1008 O LEU A 64 2.984 -17.258 7.225 1.00 0.00 O ATOM 1009 CB LEU A 64 5.532 -16.215 9.498 1.00 0.00 C ATOM 1010 CG LEU A 64 4.480 -16.215 10.615 1.00 0.00 C ATOM 1011 CD1 LEU A 64 4.272 -17.631 11.135 1.00 0.00 C ATOM 1012 CD2 LEU A 64 4.927 -15.289 11.736 1.00 0.00 C ATOM 0 H LEU A 64 6.384 -16.012 6.880 1.00 0.00 H new ATOM 0 HA LEU A 64 5.007 -18.051 8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.463 -16.615 9.898 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.728 -15.183 9.205 1.00 0.00 H new ATOM 0 HG LEU A 64 3.531 -15.853 10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.524 -17.621 11.928 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.931 -18.271 10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.213 -18.016 11.529 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.179 -15.290 12.529 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.880 -15.635 12.136 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.043 -14.277 11.348 1.00 0.00 H new ATOM 1024 N ILE A 65 3.749 -15.152 7.546 1.00 0.00 N ATOM 1025 CA ILE A 65 2.587 -14.467 6.961 1.00 0.00 C ATOM 1026 C ILE A 65 2.939 -13.011 6.594 1.00 0.00 C ATOM 1027 O ILE A 65 3.654 -12.323 7.325 1.00 0.00 O ATOM 1028 CB ILE A 65 1.384 -14.473 7.922 1.00 0.00 C ATOM 1029 CG1 ILE A 65 0.129 -13.960 7.210 1.00 0.00 C ATOM 1030 CG2 ILE A 65 1.681 -13.632 9.153 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -1.161 -14.305 7.920 1.00 0.00 C ATOM 0 H ILE A 65 4.470 -14.516 7.887 1.00 0.00 H new ATOM 0 HA ILE A 65 2.314 -15.013 6.058 1.00 0.00 H new ATOM 0 HB ILE A 65 1.203 -15.499 8.243 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.198 -12.877 7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.100 -14.374 6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.820 -13.648 9.821 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.549 -14.039 9.671 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.887 -12.605 8.851 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.005 -13.908 7.355 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.255 -15.388 7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.155 -13.868 8.918 1.00 0.00 H new ATOM 1043 N THR A 66 2.436 -12.544 5.450 1.00 0.00 N ATOM 1044 CA THR A 66 2.724 -11.179 4.968 1.00 0.00 C ATOM 1045 C THR A 66 1.566 -10.206 5.279 1.00 0.00 C ATOM 1046 O THR A 66 1.745 -8.989 5.314 1.00 0.00 O ATOM 1047 CB THR A 66 2.995 -11.165 3.452 1.00 0.00 C ATOM 1048 OG1 THR A 66 1.809 -11.557 2.748 1.00 0.00 O ATOM 1049 CG2 THR A 66 4.126 -12.121 3.104 1.00 0.00 C ATOM 0 H THR A 66 1.827 -13.085 4.836 1.00 0.00 H new ATOM 0 HA THR A 66 3.617 -10.847 5.498 1.00 0.00 H new ATOM 0 HB THR A 66 3.283 -10.155 3.159 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.022 -11.701 1.802 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.304 -12.098 2.029 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.032 -11.818 3.628 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.853 -13.132 3.405 1.00 0.00 H new ATOM 1057 N GLY A 67 0.376 -10.754 5.517 1.00 0.00 N ATOM 1058 CA GLY A 67 -0.850 -9.964 5.467 1.00 0.00 C ATOM 1059 C GLY A 67 -1.610 -10.070 4.144 1.00 0.00 C ATOM 1060 O GLY A 67 -2.810 -9.789 4.085 1.00 0.00 O ATOM 0 H GLY A 67 0.236 -11.738 5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.507 -10.281 6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.603 -8.918 5.648 1.00 0.00 H new ATOM 1064 N GLU A 68 -0.913 -10.488 3.087 1.00 0.00 N ATOM 1065 CA GLU A 68 -1.552 -10.831 1.809 1.00 0.00 C ATOM 1066 C GLU A 68 -1.829 -12.336 1.645 1.00 0.00 C ATOM 1067 O GLU A 68 -2.544 -12.742 0.730 1.00 0.00 O ATOM 1068 CB GLU A 68 -0.684 -10.339 0.648 1.00 0.00 C ATOM 1069 CG GLU A 68 -0.434 -8.838 0.642 1.00 0.00 C ATOM 1070 CD GLU A 68 -1.710 -8.072 0.435 1.00 0.00 C ATOM 1071 OE1 GLU A 68 -2.286 -8.190 -0.620 1.00 0.00 O ATOM 1072 OE2 GLU A 68 -2.170 -7.457 1.368 1.00 0.00 O ATOM 0 H GLU A 68 0.101 -10.599 3.088 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.521 -10.332 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.276 -10.855 0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.162 -10.619 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.023 -8.540 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.275 -8.588 -0.148 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.252 -13.158 2.521 1.00 0.00 N ATOM 1080 CA PHE A 69 -1.475 -14.615 2.482 1.00 0.00 C ATOM 1081 C PHE A 69 -2.596 -15.068 3.440 1.00 0.00 C ATOM 1082 O PHE A 69 -2.564 -16.187 3.959 1.00 0.00 O ATOM 1083 CB PHE A 69 -0.177 -15.353 2.817 1.00 0.00 C ATOM 1084 CG PHE A 69 0.912 -15.156 1.801 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.618 -14.678 0.533 1.00 0.00 C ATOM 1086 CD2 PHE A 69 2.231 -15.449 2.111 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.619 -14.498 -0.403 1.00 0.00 C ATOM 1088 CE2 PHE A 69 3.234 -15.268 1.179 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.927 -14.791 -0.081 1.00 0.00 C ATOM 0 H PHE A 69 -0.628 -12.848 3.266 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.794 -14.863 1.470 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.181 -15.016 3.790 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.389 -16.418 2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.404 -14.444 0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.477 -15.823 3.094 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.376 -14.127 -1.388 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.258 -15.499 1.435 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.710 -14.648 -0.811 1.00 0.00 H new ATOM 1099 N ASP A 70 -3.573 -14.194 3.671 1.00 0.00 N ATOM 1100 CA ASP A 70 -4.672 -14.467 4.608 1.00 0.00 C ATOM 1101 C ASP A 70 -5.605 -15.582 4.068 1.00 0.00 C ATOM 1102 O ASP A 70 -6.278 -15.400 3.053 1.00 0.00 O ATOM 1103 CB ASP A 70 -5.471 -13.189 4.875 1.00 0.00 C ATOM 1104 CG ASP A 70 -6.618 -13.358 5.862 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -6.900 -14.475 6.229 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.098 -12.369 6.359 1.00 0.00 O ATOM 0 H ASP A 70 -3.630 -13.281 3.220 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.238 -14.816 5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.793 -12.424 5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.872 -12.822 3.930 1.00 0.00 H new ATOM 1111 N PRO A 71 -5.662 -16.751 4.751 1.00 0.00 N ATOM 1112 CA PRO A 71 -6.563 -17.872 4.375 1.00 0.00 C ATOM 1113 C PRO A 71 -8.058 -17.504 4.216 1.00 0.00 C ATOM 1114 O PRO A 71 -8.778 -18.160 3.459 1.00 0.00 O ATOM 1115 CB PRO A 71 -6.359 -18.875 5.517 1.00 0.00 C ATOM 1116 CG PRO A 71 -4.988 -18.586 6.025 1.00 0.00 C ATOM 1117 CD PRO A 71 -4.837 -17.090 5.939 1.00 0.00 C ATOM 0 HA PRO A 71 -6.312 -18.247 3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.108 -18.745 6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.443 -19.902 5.163 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.867 -18.935 7.051 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.232 -19.092 5.425 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.199 -16.593 6.839 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.796 -16.794 5.808 1.00 0.00 H new ATOM 1125 N LYS A 72 -8.534 -16.473 4.916 1.00 0.00 N ATOM 1126 CA LYS A 72 -9.942 -16.052 4.800 1.00 0.00 C ATOM 1127 C LYS A 72 -10.178 -15.260 3.497 1.00 0.00 C ATOM 1128 O LYS A 72 -11.286 -15.246 2.960 1.00 0.00 O ATOM 1129 CB LYS A 72 -10.351 -15.212 6.011 1.00 0.00 C ATOM 1130 CG LYS A 72 -10.402 -15.985 7.322 1.00 0.00 C ATOM 1131 CD LYS A 72 -10.815 -15.084 8.478 1.00 0.00 C ATOM 1132 CE LYS A 72 -10.870 -15.855 9.789 1.00 0.00 C ATOM 1133 NZ LYS A 72 -11.270 -14.986 10.929 1.00 0.00 N ATOM 0 H LYS A 72 -7.977 -15.916 5.564 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.560 -16.950 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.650 -14.384 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.332 -14.776 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.107 -16.812 7.232 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.424 -16.421 7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.109 -14.259 8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.791 -14.647 8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.577 -16.679 9.696 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.893 -16.294 9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.295 -15.549 11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.582 -14.214 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.213 -14.587 10.747 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.135 -14.593 3.002 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.241 -13.787 1.775 1.00 0.00 C ATOM 1149 C LEU A 73 -8.664 -14.524 0.554 1.00 0.00 C ATOM 1150 O LEU A 73 -8.783 -14.048 -0.577 1.00 0.00 O ATOM 1151 CB LEU A 73 -8.528 -12.442 1.968 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.085 -11.564 3.096 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.236 -10.309 3.248 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -10.531 -11.203 2.793 1.00 0.00 C ATOM 0 H LEU A 73 -8.208 -14.592 3.427 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.300 -13.613 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.473 -12.633 2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.582 -11.883 1.034 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.051 -12.115 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.639 -9.692 4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.210 -10.590 3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.250 -9.745 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.926 -10.579 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.580 -10.657 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.125 -12.114 2.716 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.038 -15.677 0.779 1.00 0.00 N ATOM 1167 CA LEU A 74 -7.448 -16.462 -0.313 1.00 0.00 C ATOM 1168 C LEU A 74 -8.483 -17.455 -0.881 1.00 0.00 C ATOM 1169 O LEU A 74 -8.903 -18.385 -0.188 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.200 -17.204 0.178 1.00 0.00 C ATOM 1171 CG LEU A 74 -5.595 -18.198 -0.822 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -5.073 -17.457 -2.044 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -4.477 -18.981 -0.148 1.00 0.00 C ATOM 0 H LEU A 74 -7.924 -16.091 1.704 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.152 -15.781 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.439 -16.469 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.452 -17.741 1.092 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.364 -18.897 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.646 -18.171 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.893 -16.922 -2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.306 -16.746 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.048 -19.687 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.704 -18.292 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.878 -19.526 0.707 1.00 0.00 H new ATOM 1185 N PRO A 75 -8.910 -17.268 -2.149 1.00 0.00 N ATOM 1186 CA PRO A 75 -9.745 -18.251 -2.866 1.00 0.00 C ATOM 1187 C PRO A 75 -9.011 -19.570 -3.160 1.00 0.00 C ATOM 1188 O PRO A 75 -7.790 -19.599 -3.327 1.00 0.00 O ATOM 1189 CB PRO A 75 -10.133 -17.523 -4.157 1.00 0.00 C ATOM 1190 CG PRO A 75 -9.002 -16.587 -4.411 1.00 0.00 C ATOM 1191 CD PRO A 75 -8.556 -16.121 -3.051 1.00 0.00 C ATOM 0 HA PRO A 75 -10.604 -18.559 -2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -10.263 -18.222 -4.983 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.075 -16.986 -4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -8.191 -17.086 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.318 -15.747 -5.030 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -7.487 -15.910 -3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.067 -15.205 -2.754 1.00 0.00 H new ATOM 1199 N TYR A 76 -9.757 -20.673 -3.228 1.00 0.00 N ATOM 1200 CA TYR A 76 -9.141 -21.995 -3.354 1.00 0.00 C ATOM 1201 C TYR A 76 -9.613 -22.754 -4.605 1.00 0.00 C ATOM 1202 O TYR A 76 -10.610 -23.475 -4.584 1.00 0.00 O ATOM 1203 CB TYR A 76 -9.432 -22.828 -2.103 1.00 0.00 C ATOM 1204 CG TYR A 76 -8.902 -22.218 -0.824 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -7.546 -22.234 -0.537 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -9.761 -21.631 0.095 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -7.057 -21.679 0.629 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -9.282 -21.072 1.264 1.00 0.00 C ATOM 1209 CZ TYR A 76 -7.928 -21.098 1.528 1.00 0.00 C ATOM 1210 OH TYR A 76 -7.446 -20.545 2.692 1.00 0.00 O ATOM 0 H TYR A 76 -10.777 -20.679 -3.198 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.068 -21.837 -3.459 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.510 -22.963 -2.011 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.997 -23.819 -2.229 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.860 -22.688 -1.237 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.822 -21.611 -0.107 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.997 -21.700 0.837 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -9.964 -20.617 1.967 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.957 -19.737 2.906 1.00 0.00 H new ATOM 1220 N ASP A 77 -8.894 -22.559 -5.707 1.00 0.00 N ATOM 1221 CA ASP A 77 -9.013 -23.428 -6.883 1.00 0.00 C ATOM 1222 C ASP A 77 -8.011 -24.588 -6.754 1.00 0.00 C ATOM 1223 O ASP A 77 -7.150 -24.558 -5.881 1.00 0.00 O ATOM 1224 CB ASP A 77 -8.767 -22.642 -8.173 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.379 -23.270 -9.418 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -9.894 -24.359 -9.319 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -9.468 -22.596 -10.417 1.00 0.00 O ATOM 0 H ASP A 77 -8.218 -21.803 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.026 -23.827 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.169 -21.636 -8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.692 -22.540 -8.323 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.106 -25.594 -7.622 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.198 -26.751 -7.564 1.00 0.00 C ATOM 1234 C LYS A 78 -5.723 -26.325 -7.749 1.00 0.00 C ATOM 1235 O LYS A 78 -4.891 -26.488 -6.846 1.00 0.00 O ATOM 1236 CB LYS A 78 -7.585 -27.782 -8.626 1.00 0.00 C ATOM 1237 CG LYS A 78 -6.702 -29.022 -8.651 1.00 0.00 C ATOM 1238 CD LYS A 78 -7.163 -30.010 -9.712 1.00 0.00 C ATOM 1239 CE LYS A 78 -6.269 -31.241 -9.751 1.00 0.00 C ATOM 1240 NZ LYS A 78 -6.694 -32.204 -10.801 1.00 0.00 N ATOM 0 H LYS A 78 -8.796 -25.637 -8.372 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.295 -27.200 -6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.617 -28.089 -8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.550 -27.306 -9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.670 -28.732 -8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.719 -29.502 -7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.191 -30.311 -9.509 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.160 -29.525 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.239 -30.935 -9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.287 -31.733 -8.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.059 -33.028 -10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.668 -32.516 -10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.652 -31.743 -11.732 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.418 -25.736 -8.906 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.050 -25.307 -9.218 1.00 0.00 C ATOM 1256 C ARG A 79 -3.624 -24.112 -8.357 1.00 0.00 C ATOM 1257 O ARG A 79 -2.484 -24.051 -7.885 1.00 0.00 O ATOM 1258 CB ARG A 79 -3.866 -25.016 -10.700 1.00 0.00 C ATOM 1259 CG ARG A 79 -3.943 -26.235 -11.605 1.00 0.00 C ATOM 1260 CD ARG A 79 -3.997 -25.918 -13.056 1.00 0.00 C ATOM 1261 NE ARG A 79 -4.070 -27.082 -13.924 1.00 0.00 N ATOM 1262 CZ ARG A 79 -4.226 -27.029 -15.262 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -4.363 -25.879 -15.883 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -4.262 -28.168 -15.931 1.00 0.00 N ATOM 0 H ARG A 79 -6.097 -25.544 -9.643 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.393 -26.142 -8.972 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.627 -24.301 -11.012 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.898 -24.535 -10.844 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.077 -26.869 -11.416 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.827 -26.815 -11.339 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.864 -25.285 -13.245 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.114 -25.337 -13.321 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.998 -28.003 -13.491 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.352 -25.008 -15.352 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.480 -25.857 -16.896 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.173 -29.054 -15.434 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.379 -28.161 -16.944 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.538 -23.163 -8.167 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.271 -21.966 -7.356 1.00 0.00 C ATOM 1280 C LEU A 80 -3.890 -22.342 -5.914 1.00 0.00 C ATOM 1281 O LEU A 80 -2.784 -22.043 -5.452 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.496 -21.042 -7.361 1.00 0.00 C ATOM 1283 CG LEU A 80 -5.353 -19.765 -6.524 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -4.288 -18.859 -7.130 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -6.693 -19.048 -6.454 1.00 0.00 C ATOM 0 H LEU A 80 -5.477 -23.196 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.425 -21.439 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.714 -20.760 -8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.356 -21.603 -6.995 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.043 -20.028 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.194 -17.955 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.332 -19.383 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.575 -18.590 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.590 -18.141 -5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.019 -18.786 -7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.432 -19.703 -5.992 1.00 0.00 H new ATOM 1297 N ALA A 81 -4.801 -23.030 -5.223 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.594 -23.399 -3.820 1.00 0.00 C ATOM 1299 C ALA A 81 -3.312 -24.210 -3.619 1.00 0.00 C ATOM 1300 O ALA A 81 -2.474 -23.839 -2.802 1.00 0.00 O ATOM 1301 CB ALA A 81 -5.791 -24.173 -3.281 1.00 0.00 C ATOM 0 H ALA A 81 -5.690 -23.343 -5.612 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.489 -22.469 -3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.614 -24.436 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.686 -23.555 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.930 -25.082 -3.866 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.149 -25.303 -4.376 1.00 0.00 N ATOM 1308 CA TRP A 82 -1.986 -26.181 -4.189 1.00 0.00 C ATOM 1309 C TRP A 82 -0.666 -25.416 -4.355 1.00 0.00 C ATOM 1310 O TRP A 82 0.126 -25.336 -3.425 1.00 0.00 O ATOM 1311 CB TRP A 82 -2.038 -27.349 -5.175 1.00 0.00 C ATOM 1312 CG TRP A 82 -0.746 -28.102 -5.282 1.00 0.00 C ATOM 1313 CD1 TRP A 82 0.321 -28.012 -4.439 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.386 -29.057 -6.287 1.00 0.00 C ATOM 1315 NE1 TRP A 82 1.324 -28.851 -4.855 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.913 -29.506 -5.989 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.039 -29.577 -7.411 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 1.573 -30.443 -6.769 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.378 -30.518 -8.192 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.890 -30.939 -7.880 1.00 0.00 C ATOM 0 H TRP A 82 -3.794 -25.597 -5.110 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.026 -26.566 -3.170 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -2.826 -28.037 -4.869 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -2.311 -26.970 -6.160 1.00 0.00 H new ATOM 0 HD1 TRP A 82 0.370 -27.373 -3.570 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.227 -28.969 -4.396 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.037 -29.253 -7.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.572 -30.774 -6.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.872 -30.926 -9.061 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.371 -31.672 -8.510 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.451 -24.833 -5.531 1.00 0.00 N ATOM 1332 CA HIS A 83 0.859 -24.268 -5.878 1.00 0.00 C ATOM 1333 C HIS A 83 1.137 -22.958 -5.132 1.00 0.00 C ATOM 1334 O HIS A 83 2.168 -22.818 -4.484 1.00 0.00 O ATOM 1335 CB HIS A 83 0.958 -24.034 -7.390 1.00 0.00 C ATOM 1336 CG HIS A 83 0.837 -25.287 -8.201 1.00 0.00 C ATOM 1337 ND1 HIS A 83 -0.353 -25.694 -8.768 1.00 0.00 N ATOM 1338 CD2 HIS A 83 1.755 -26.222 -8.540 1.00 0.00 C ATOM 1339 CE1 HIS A 83 -0.161 -26.826 -9.422 1.00 0.00 C ATOM 1340 NE2 HIS A 83 1.109 -27.167 -9.298 1.00 0.00 N ATOM 0 H HIS A 83 -1.159 -24.737 -6.259 1.00 0.00 H new ATOM 0 HA HIS A 83 1.612 -24.994 -5.571 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.176 -23.338 -7.693 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.913 -23.558 -7.614 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.242 -25.199 -8.694 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.800 -26.224 -8.266 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.914 -27.378 -9.965 1.00 0.00 H new ATOM 1345 N PHE A 84 0.210 -22.008 -5.205 1.00 0.00 N ATOM 1346 CA PHE A 84 0.414 -20.697 -4.578 1.00 0.00 C ATOM 1347 C PHE A 84 0.549 -20.798 -3.041 1.00 0.00 C ATOM 1348 O PHE A 84 1.470 -20.232 -2.452 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.722 -19.744 -4.972 1.00 0.00 C ATOM 1350 CG PHE A 84 -0.648 -19.269 -6.411 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.622 -20.176 -7.467 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -0.610 -17.910 -6.706 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.560 -19.737 -8.776 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -0.548 -17.471 -8.015 1.00 0.00 C ATOM 1355 CZ PHE A 84 -0.523 -18.385 -9.051 1.00 0.00 C ATOM 0 H PHE A 84 -0.683 -22.115 -5.686 1.00 0.00 H new ATOM 0 HA PHE A 84 1.357 -20.295 -4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.677 -20.245 -4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.703 -18.877 -4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -0.651 -21.236 -7.261 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.629 -17.189 -5.902 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.540 -20.453 -9.585 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.519 -16.413 -8.228 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.475 -18.042 -10.074 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.359 -21.530 -2.391 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.373 -21.610 -0.920 1.00 0.00 C ATOM 1367 C LYS A 85 0.834 -22.405 -0.380 1.00 0.00 C ATOM 1368 O LYS A 85 1.545 -21.942 0.512 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.678 -22.244 -0.435 1.00 0.00 C ATOM 1370 CG LYS A 85 -1.850 -22.252 1.079 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.183 -22.865 1.481 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.336 -22.913 2.994 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.583 -23.613 3.404 1.00 0.00 N ATOM 0 H LYS A 85 -1.090 -22.073 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.302 -20.593 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.516 -21.708 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.726 -23.270 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.036 -22.814 1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.787 -21.233 1.460 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.998 -22.284 1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.260 -23.873 1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.475 -23.420 3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.343 -21.898 3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.650 -23.624 4.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.406 -23.115 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.566 -24.590 3.048 1.00 0.00 H new ATOM 1387 N GLU A 86 1.058 -23.593 -0.933 1.00 0.00 N ATOM 1388 CA GLU A 86 2.103 -24.511 -0.450 1.00 0.00 C ATOM 1389 C GLU A 86 3.514 -23.932 -0.648 1.00 0.00 C ATOM 1390 O GLU A 86 4.387 -24.093 0.203 1.00 0.00 O ATOM 1391 CB GLU A 86 1.990 -25.863 -1.159 1.00 0.00 C ATOM 1392 CG GLU A 86 0.745 -26.661 -0.798 1.00 0.00 C ATOM 1393 CD GLU A 86 0.684 -26.941 0.677 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.646 -27.439 1.208 1.00 0.00 O ATOM 1395 OE2 GLU A 86 -0.281 -26.554 1.295 1.00 0.00 O ATOM 0 H GLU A 86 0.527 -23.952 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 86 1.947 -24.647 0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.000 -25.696 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.871 -26.459 -0.920 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.144 -26.109 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.741 -27.601 -1.349 1.00 0.00 H new ATOM 1402 N PHE A 87 3.725 -23.250 -1.769 1.00 0.00 N ATOM 1403 CA PHE A 87 5.032 -22.667 -2.092 1.00 0.00 C ATOM 1404 C PHE A 87 5.329 -21.423 -1.237 1.00 0.00 C ATOM 1405 O PHE A 87 6.423 -21.284 -0.690 1.00 0.00 O ATOM 1406 CB PHE A 87 5.096 -22.310 -3.579 1.00 0.00 C ATOM 1407 CG PHE A 87 6.470 -21.927 -4.050 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.427 -22.898 -4.307 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.809 -20.596 -4.238 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.692 -22.547 -4.742 1.00 0.00 C ATOM 1411 CE2 PHE A 87 8.073 -20.241 -4.673 1.00 0.00 C ATOM 1412 CZ PHE A 87 9.014 -21.219 -4.925 1.00 0.00 C ATOM 0 H PHE A 87 3.007 -23.084 -2.475 1.00 0.00 H new ATOM 0 HA PHE A 87 5.793 -23.414 -1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.745 -23.161 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.411 -21.485 -3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.181 -23.940 -4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 87 6.077 -19.827 -4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.428 -23.313 -4.938 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.323 -19.200 -4.815 1.00 0.00 H new ATOM 0 HZ PHE A 87 10.001 -20.944 -5.265 1.00 0.00 H new ATOM 1422 N CYS A 88 4.350 -20.521 -1.123 1.00 0.00 N ATOM 1423 CA CYS A 88 4.569 -19.211 -0.484 1.00 0.00 C ATOM 1424 C CYS A 88 4.183 -19.191 1.005 1.00 0.00 C ATOM 1425 O CYS A 88 4.980 -18.803 1.857 1.00 0.00 O ATOM 1426 CB CYS A 88 3.638 -18.300 -1.284 1.00 0.00 C ATOM 1427 SG CYS A 88 4.031 -18.188 -3.047 1.00 0.00 S ATOM 0 H CYS A 88 3.399 -20.669 -1.462 1.00 0.00 H new ATOM 0 HA CYS A 88 5.619 -18.920 -0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.615 -18.661 -1.175 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.671 -17.299 -0.853 1.00 0.00 H new ATOM 0 HG CYS A 88 3.069 -17.572 -3.668 1.00 0.00 H new ATOM 1433 N TYR A 89 2.958 -19.620 1.322 1.00 0.00 N ATOM 1434 CA TYR A 89 2.373 -19.389 2.657 1.00 0.00 C ATOM 1435 C TYR A 89 2.692 -20.532 3.642 1.00 0.00 C ATOM 1436 O TYR A 89 2.962 -20.303 4.822 1.00 0.00 O ATOM 1437 CB TYR A 89 0.857 -19.210 2.545 1.00 0.00 C ATOM 1438 CG TYR A 89 0.146 -19.154 3.878 1.00 0.00 C ATOM 1439 CD1 TYR A 89 0.372 -18.110 4.763 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -0.751 -20.145 4.247 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -0.276 -18.055 5.983 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -1.404 -20.100 5.463 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.164 -19.052 6.329 1.00 0.00 C ATOM 1444 OH TYR A 89 -1.812 -19.002 7.541 1.00 0.00 O ATOM 0 H TYR A 89 2.350 -20.128 0.679 1.00 0.00 H new ATOM 0 HA TYR A 89 2.824 -18.479 3.052 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.649 -18.292 1.995 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.446 -20.033 1.960 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.066 -17.327 4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.942 -20.966 3.572 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.088 -17.236 6.661 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.099 -20.881 5.735 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.403 -19.779 7.628 1.00 0.00 H new ATOM 1454 N LYS A 90 2.683 -21.767 3.151 1.00 0.00 N ATOM 1455 CA LYS A 90 2.856 -22.937 4.019 1.00 0.00 C ATOM 1456 C LYS A 90 4.079 -22.789 4.937 1.00 0.00 C ATOM 1457 O LYS A 90 5.216 -22.736 4.482 1.00 0.00 O ATOM 1458 CB LYS A 90 2.983 -24.206 3.176 1.00 0.00 C ATOM 1459 CG LYS A 90 2.779 -25.501 3.953 1.00 0.00 C ATOM 1460 CD LYS A 90 1.335 -25.653 4.406 1.00 0.00 C ATOM 1461 CE LYS A 90 1.122 -26.962 5.151 1.00 0.00 C ATOM 1462 NZ LYS A 90 -0.302 -27.160 5.533 1.00 0.00 N ATOM 0 H LYS A 90 2.559 -21.988 2.163 1.00 0.00 H new ATOM 0 HA LYS A 90 1.972 -23.011 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.255 -24.164 2.366 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.971 -24.224 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.058 -26.350 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.438 -25.514 4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.065 -24.817 5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.674 -25.614 3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.448 -27.793 4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.743 -26.975 6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.404 -28.063 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.607 -26.381 6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.892 -27.174 4.677 1.00 0.00 H new ATOM 1476 N THR A 91 3.838 -22.723 6.243 1.00 0.00 N ATOM 1477 CA THR A 91 4.915 -22.464 7.213 1.00 0.00 C ATOM 1478 C THR A 91 5.575 -23.759 7.720 1.00 0.00 C ATOM 1479 O THR A 91 6.599 -23.725 8.406 1.00 0.00 O ATOM 1480 CB THR A 91 4.393 -21.666 8.421 1.00 0.00 C ATOM 1481 OG1 THR A 91 3.460 -22.467 9.158 1.00 0.00 O ATOM 1482 CG2 THR A 91 3.707 -20.389 7.963 1.00 0.00 C ATOM 0 H THR A 91 2.915 -22.843 6.659 1.00 0.00 H new ATOM 0 HA THR A 91 5.666 -21.881 6.680 1.00 0.00 H new ATOM 0 HB THR A 91 5.239 -21.403 9.056 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.129 -21.959 9.928 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.345 -19.839 8.832 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.417 -19.772 7.413 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.866 -20.640 7.316 1.00 0.00 H new ATOM 1490 N SER A 92 4.989 -24.900 7.371 1.00 0.00 N ATOM 1491 CA SER A 92 5.452 -26.202 7.871 1.00 0.00 C ATOM 1492 C SER A 92 6.752 -26.640 7.183 1.00 0.00 C ATOM 1493 O SER A 92 7.106 -26.138 6.111 1.00 0.00 O ATOM 1494 CB SER A 92 4.373 -27.249 7.671 1.00 0.00 C ATOM 1495 OG SER A 92 4.181 -27.555 6.317 1.00 0.00 O ATOM 0 H SER A 92 4.189 -24.955 6.741 1.00 0.00 H new ATOM 0 HA SER A 92 5.660 -26.098 8.936 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.643 -28.156 8.212 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.436 -26.890 8.098 1.00 0.00 H new ATOM 0 HG SER A 92 3.600 -28.340 6.238 1.00 0.00 H new ATOM 1501 N ALA A 93 7.468 -27.565 7.818 1.00 0.00 N ATOM 1502 CA ALA A 93 8.753 -28.061 7.308 1.00 0.00 C ATOM 1503 C ALA A 93 8.920 -29.554 7.626 1.00 0.00 C ATOM 1504 O ALA A 93 9.556 -29.927 8.615 1.00 0.00 O ATOM 1505 CB ALA A 93 9.906 -27.247 7.889 1.00 0.00 C ATOM 0 H ALA A 93 7.179 -27.993 8.698 1.00 0.00 H new ATOM 0 HA ALA A 93 8.765 -27.944 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.851 -27.627 7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.792 -26.201 7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.899 -27.331 8.976 1.00 0.00 H new ATOM 1511 N HIS A 94 8.335 -30.400 6.786 1.00 0.00 N ATOM 1512 CA HIS A 94 8.337 -31.856 6.989 1.00 0.00 C ATOM 1513 C HIS A 94 9.328 -32.550 6.027 1.00 0.00 C ATOM 1514 O HIS A 94 10.200 -31.895 5.459 1.00 0.00 O ATOM 1515 CB HIS A 94 6.928 -32.429 6.799 1.00 0.00 C ATOM 1516 CG HIS A 94 5.920 -31.878 7.760 1.00 0.00 C ATOM 1517 ND1 HIS A 94 5.897 -32.228 9.094 1.00 0.00 N ATOM 1518 CD2 HIS A 94 4.902 -31.005 7.581 1.00 0.00 C ATOM 1519 CE1 HIS A 94 4.905 -31.591 9.694 1.00 0.00 C ATOM 1520 NE2 HIS A 94 4.288 -30.844 8.799 1.00 0.00 N ATOM 0 H HIS A 94 7.844 -30.102 5.943 1.00 0.00 H new ATOM 0 HA HIS A 94 8.660 -32.050 8.012 1.00 0.00 H new ATOM 0 HB2 HIS A 94 6.596 -32.224 5.781 1.00 0.00 H new ATOM 0 HB3 HIS A 94 6.968 -33.513 6.910 1.00 0.00 H new ATOM 0 HD2 HIS A 94 4.624 -30.525 6.654 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.645 -31.669 10.739 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.484 -30.243 8.982 1.00 0.00 H new ATOM 1525 N GLY A 95 9.217 -33.879 5.884 1.00 0.00 N ATOM 1526 CA GLY A 95 10.075 -34.631 4.962 1.00 0.00 C ATOM 1527 C GLY A 95 9.915 -34.222 3.494 1.00 0.00 C ATOM 1528 O GLY A 95 10.802 -34.478 2.682 1.00 0.00 O ATOM 0 H GLY A 95 8.544 -34.451 6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.116 -34.494 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.853 -35.694 5.059 1.00 0.00 H new ATOM 1532 N ILE A 96 8.782 -33.598 3.157 1.00 0.00 N ATOM 1533 CA ILE A 96 8.573 -33.018 1.816 1.00 0.00 C ATOM 1534 C ILE A 96 8.493 -31.472 1.865 1.00 0.00 C ATOM 1535 O ILE A 96 7.418 -30.896 2.044 1.00 0.00 O ATOM 1536 CB ILE A 96 7.291 -33.569 1.164 1.00 0.00 C ATOM 1537 CG1 ILE A 96 7.381 -35.089 1.010 1.00 0.00 C ATOM 1538 CG2 ILE A 96 7.054 -32.907 -0.184 1.00 0.00 C ATOM 1539 CD1 ILE A 96 6.111 -35.726 0.493 1.00 0.00 C ATOM 0 H ILE A 96 7.992 -33.479 3.791 1.00 0.00 H new ATOM 0 HA ILE A 96 9.436 -33.306 1.215 1.00 0.00 H new ATOM 0 HB ILE A 96 6.446 -33.339 1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.199 -35.328 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.630 -35.529 1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.144 -33.308 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.948 -31.831 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.900 -33.107 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.252 -36.804 0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.293 -35.519 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 96 5.871 -35.315 -0.488 1.00 0.00 H new ATOM 1551 N PRO A 97 9.641 -30.771 1.752 1.00 0.00 N ATOM 1552 CA PRO A 97 9.679 -29.306 1.737 1.00 0.00 C ATOM 1553 C PRO A 97 9.331 -28.684 0.366 1.00 0.00 C ATOM 1554 O PRO A 97 9.194 -27.468 0.252 1.00 0.00 O ATOM 1555 CB PRO A 97 11.140 -29.042 2.094 1.00 0.00 C ATOM 1556 CG PRO A 97 11.888 -30.212 1.524 1.00 0.00 C ATOM 1557 CD PRO A 97 10.969 -31.418 1.621 1.00 0.00 C ATOM 0 HA PRO A 97 8.943 -28.863 2.408 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.489 -28.102 1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.278 -28.971 3.173 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.168 -30.023 0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.811 -30.386 2.077 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.030 -32.052 0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.206 -32.046 2.480 1.00 0.00 H new ATOM 1565 N MET A 98 9.196 -29.523 -0.665 1.00 0.00 N ATOM 1566 CA MET A 98 8.935 -29.055 -2.033 1.00 0.00 C ATOM 1567 C MET A 98 7.430 -28.984 -2.348 1.00 0.00 C ATOM 1568 O MET A 98 6.590 -29.322 -1.515 1.00 0.00 O ATOM 1569 CB MET A 98 9.637 -29.969 -3.037 1.00 0.00 C ATOM 1570 CG MET A 98 11.156 -29.961 -2.940 1.00 0.00 C ATOM 1571 SD MET A 98 11.933 -31.092 -4.112 1.00 0.00 S ATOM 1572 CE MET A 98 13.661 -30.689 -3.876 1.00 0.00 C ATOM 0 H MET A 98 9.263 -30.537 -0.579 1.00 0.00 H new ATOM 0 HA MET A 98 9.331 -28.043 -2.114 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.281 -30.989 -2.892 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.348 -29.671 -4.045 1.00 0.00 H new ATOM 0 HG2 MET A 98 11.522 -28.950 -3.119 1.00 0.00 H new ATOM 0 HG3 MET A 98 11.453 -30.233 -1.927 1.00 0.00 H new ATOM 0 HE1 MET A 98 14.269 -31.576 -4.055 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.950 -29.904 -4.575 1.00 0.00 H new ATOM 0 HE3 MET A 98 13.817 -30.341 -2.855 1.00 0.00 H new ATOM 1582 N ILE A 99 7.105 -28.548 -3.567 1.00 0.00 N ATOM 1583 CA ILE A 99 5.710 -28.449 -4.029 1.00 0.00 C ATOM 1584 C ILE A 99 5.028 -29.831 -4.127 1.00 0.00 C ATOM 1585 O ILE A 99 3.805 -29.937 -4.025 1.00 0.00 O ATOM 1586 CB ILE A 99 5.626 -27.752 -5.400 1.00 0.00 C ATOM 1587 CG1 ILE A 99 6.060 -26.289 -5.284 1.00 0.00 C ATOM 1588 CG2 ILE A 99 4.215 -27.849 -5.960 1.00 0.00 C ATOM 1589 CD1 ILE A 99 6.269 -25.605 -6.615 1.00 0.00 C ATOM 0 H ILE A 99 7.793 -28.254 -4.261 1.00 0.00 H new ATOM 0 HA ILE A 99 5.184 -27.854 -3.282 1.00 0.00 H new ATOM 0 HB ILE A 99 6.304 -28.258 -6.088 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.306 -25.740 -4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.986 -26.239 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.173 -27.352 -6.929 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.942 -28.898 -6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.518 -27.368 -5.275 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.575 -24.572 -6.449 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.044 -26.128 -7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.338 -25.621 -7.182 1.00 0.00 H new ATOM 1601 N GLY A 100 5.821 -30.887 -4.310 1.00 0.00 N ATOM 1602 CA GLY A 100 5.246 -32.213 -4.525 1.00 0.00 C ATOM 1603 C GLY A 100 6.157 -33.379 -4.131 1.00 0.00 C ATOM 1604 O GLY A 100 6.208 -33.778 -2.966 1.00 0.00 O ATOM 0 H GLY A 100 6.840 -30.853 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.318 -32.288 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 100 4.985 -32.314 -5.578 1.00 0.00 H new ATOM 1608 N GLU A 101 6.903 -33.900 -5.102 1.00 0.00 N ATOM 1609 CA GLU A 101 7.774 -35.064 -4.885 1.00 0.00 C ATOM 1610 C GLU A 101 9.167 -34.701 -4.349 1.00 0.00 C ATOM 1611 O GLU A 101 10.024 -34.207 -5.084 1.00 0.00 O ATOM 1612 CB GLU A 101 7.919 -35.851 -6.189 1.00 0.00 C ATOM 1613 CG GLU A 101 8.729 -37.134 -6.062 1.00 0.00 C ATOM 1614 CD GLU A 101 8.866 -37.828 -7.388 1.00 0.00 C ATOM 1615 OE1 GLU A 101 8.344 -37.327 -8.356 1.00 0.00 O ATOM 1616 OE2 GLU A 101 9.584 -38.797 -7.458 1.00 0.00 O ATOM 0 H GLU A 101 6.925 -33.535 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 101 7.292 -35.670 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.925 -36.098 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.390 -35.211 -6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.718 -36.904 -5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.247 -37.802 -5.348 1.00 0.00 H new ATOM 1623 N ALA A 102 9.380 -34.946 -3.061 1.00 0.00 N ATOM 1624 CA ALA A 102 10.671 -34.680 -2.421 1.00 0.00 C ATOM 1625 C ALA A 102 11.057 -35.845 -1.491 1.00 0.00 C ATOM 1626 O ALA A 102 10.750 -35.835 -0.301 1.00 0.00 O ATOM 1627 CB ALA A 102 10.619 -33.363 -1.658 1.00 0.00 C ATOM 0 H ALA A 102 8.674 -35.330 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 102 11.437 -34.595 -3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.584 -33.177 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 102 10.390 -32.551 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.846 -33.417 -0.892 1.00 0.00 H new ATOM 1633 N PRO A 103 11.725 -36.884 -2.035 1.00 0.00 N ATOM 1634 CA PRO A 103 12.239 -38.018 -1.237 1.00 0.00 C ATOM 1635 C PRO A 103 13.395 -37.633 -0.293 1.00 0.00 C ATOM 1636 O PRO A 103 14.556 -37.943 -0.566 1.00 0.00 O ATOM 1637 CB PRO A 103 12.690 -39.029 -2.297 1.00 0.00 C ATOM 1638 CG PRO A 103 13.075 -38.190 -3.467 1.00 0.00 C ATOM 1639 CD PRO A 103 12.089 -37.053 -3.486 1.00 0.00 C ATOM 0 HA PRO A 103 11.478 -38.408 -0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.529 -39.628 -1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.889 -39.723 -2.552 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.096 -37.823 -3.368 1.00 0.00 H new ATOM 0 HG3 PRO A 103 13.031 -38.763 -4.393 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.530 -36.145 -3.898 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.216 -37.288 -4.095 1.00 0.00 H new ATOM 1647 N LEU A 104 13.075 -36.948 0.813 1.00 0.00 N ATOM 1648 CA LEU A 104 14.093 -36.410 1.737 1.00 0.00 C ATOM 1649 C LEU A 104 15.100 -35.501 0.987 1.00 0.00 C ATOM 1650 O LEU A 104 16.284 -35.438 1.322 1.00 0.00 O ATOM 1651 CB LEU A 104 14.827 -37.558 2.441 1.00 0.00 C ATOM 1652 CG LEU A 104 13.929 -38.529 3.220 1.00 0.00 C ATOM 1653 CD1 LEU A 104 14.767 -39.646 3.824 1.00 0.00 C ATOM 1654 CD2 LEU A 104 13.179 -37.769 4.304 1.00 0.00 C ATOM 0 H LEU A 104 12.115 -36.750 1.094 1.00 0.00 H new ATOM 0 HA LEU A 104 13.587 -35.803 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 104 15.384 -38.124 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.558 -37.133 3.129 1.00 0.00 H new ATOM 0 HG LEU A 104 13.204 -38.978 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.120 -40.329 4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 104 15.276 -40.190 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.506 -39.220 4.503 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.541 -38.459 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.894 -37.309 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.564 -36.994 3.846 1.00 0.00 H new ATOM 1666 N GLU A 105 14.600 -34.768 -0.005 1.00 0.00 N ATOM 1667 CA GLU A 105 15.403 -33.779 -0.726 1.00 0.00 C ATOM 1668 C GLU A 105 15.213 -32.367 -0.150 1.00 0.00 C ATOM 1669 O GLU A 105 14.349 -31.605 -0.591 1.00 0.00 O ATOM 1670 CB GLU A 105 15.048 -33.791 -2.215 1.00 0.00 C ATOM 1671 CG GLU A 105 15.379 -35.094 -2.929 1.00 0.00 C ATOM 1672 CD GLU A 105 15.009 -35.027 -4.385 1.00 0.00 C ATOM 1673 OE1 GLU A 105 14.458 -34.033 -4.794 1.00 0.00 O ATOM 1674 OE2 GLU A 105 15.376 -35.921 -5.112 1.00 0.00 O ATOM 0 H GLU A 105 13.636 -34.840 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 105 16.451 -34.052 -0.604 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.982 -33.592 -2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.577 -32.976 -2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.444 -35.305 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.846 -35.918 -2.453 1.00 0.00 H new ATOM 1681 N HIS A 106 16.018 -32.029 0.851 1.00 0.00 N ATOM 1682 CA HIS A 106 15.838 -30.782 1.592 1.00 0.00 C ATOM 1683 C HIS A 106 16.694 -29.667 0.974 1.00 0.00 C ATOM 1684 O HIS A 106 17.914 -29.798 0.865 1.00 0.00 O ATOM 1685 CB HIS A 106 16.195 -30.971 3.070 1.00 0.00 C ATOM 1686 CG HIS A 106 15.310 -31.944 3.784 1.00 0.00 C ATOM 1687 ND1 HIS A 106 14.069 -31.598 4.275 1.00 0.00 N ATOM 1688 CD2 HIS A 106 15.486 -33.251 4.092 1.00 0.00 C ATOM 1689 CE1 HIS A 106 13.518 -32.652 4.853 1.00 0.00 C ATOM 1690 NE2 HIS A 106 14.358 -33.666 4.755 1.00 0.00 N ATOM 0 H HIS A 106 16.802 -32.599 1.169 1.00 0.00 H new ATOM 0 HA HIS A 106 14.789 -30.494 1.529 1.00 0.00 H new ATOM 0 HB2 HIS A 106 17.228 -31.311 3.144 1.00 0.00 H new ATOM 0 HB3 HIS A 106 16.140 -30.006 3.574 1.00 0.00 H new ATOM 0 HD2 HIS A 106 16.352 -33.854 3.860 1.00 0.00 H new ATOM 0 HE1 HIS A 106 12.547 -32.679 5.325 1.00 0.00 H new ATOM 0 HE2 HIS A 106 14.195 -34.607 5.114 1.00 0.00 H new ATOM 1695 N HIS A 107 16.044 -28.585 0.548 1.00 0.00 N ATOM 1696 CA HIS A 107 16.755 -27.391 0.070 1.00 0.00 C ATOM 1697 C HIS A 107 17.661 -26.797 1.161 1.00 0.00 C ATOM 1698 O HIS A 107 17.201 -26.505 2.267 1.00 0.00 O ATOM 1699 CB HIS A 107 15.762 -26.332 -0.418 1.00 0.00 C ATOM 1700 CG HIS A 107 16.413 -25.077 -0.911 1.00 0.00 C ATOM 1701 ND1 HIS A 107 15.804 -23.843 -0.834 1.00 0.00 N ATOM 1702 CD2 HIS A 107 17.619 -24.867 -1.491 1.00 0.00 C ATOM 1703 CE1 HIS A 107 16.610 -22.927 -1.343 1.00 0.00 C ATOM 1704 NE2 HIS A 107 17.716 -23.523 -1.749 1.00 0.00 N ATOM 0 H HIS A 107 15.027 -28.507 0.522 1.00 0.00 H new ATOM 0 HA HIS A 107 17.387 -27.700 -0.763 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.157 -26.756 -1.220 1.00 0.00 H new ATOM 0 HB3 HIS A 107 15.082 -26.082 0.396 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.365 -25.617 -1.709 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.399 -21.870 -1.415 1.00 0.00 H new ATOM 0 HE2 HIS A 107 18.514 -23.059 -2.184 1.00 0.00 H new ATOM 1709 N HIS A 108 18.944 -26.629 0.833 1.00 0.00 N ATOM 1710 CA HIS A 108 19.943 -26.116 1.782 1.00 0.00 C ATOM 1711 C HIS A 108 19.497 -24.822 2.493 1.00 0.00 C ATOM 1712 O HIS A 108 19.053 -23.866 1.858 1.00 0.00 O ATOM 1713 CB HIS A 108 21.274 -25.873 1.064 1.00 0.00 C ATOM 1714 CG HIS A 108 22.349 -25.334 1.956 1.00 0.00 C ATOM 1715 ND1 HIS A 108 22.974 -26.103 2.916 1.00 0.00 N ATOM 1716 CD2 HIS A 108 22.909 -24.104 2.034 1.00 0.00 C ATOM 1717 CE1 HIS A 108 23.874 -25.367 3.545 1.00 0.00 C ATOM 1718 NE2 HIS A 108 23.855 -24.151 3.029 1.00 0.00 N ATOM 0 H HIS A 108 19.321 -26.842 -0.091 1.00 0.00 H new ATOM 0 HA HIS A 108 20.060 -26.880 2.551 1.00 0.00 H new ATOM 0 HB2 HIS A 108 21.615 -26.810 0.623 1.00 0.00 H new ATOM 0 HB3 HIS A 108 21.112 -25.175 0.243 1.00 0.00 H new ATOM 0 HD2 HIS A 108 22.659 -23.246 1.427 1.00 0.00 H new ATOM 0 HE1 HIS A 108 24.516 -25.703 4.346 1.00 0.00 H new ATOM 0 HE2 HIS A 108 24.447 -23.373 3.322 1.00 0.00 H new ATOM 1723 N HIS A 109 19.619 -24.823 3.818 1.00 0.00 N ATOM 1724 CA HIS A 109 19.166 -23.710 4.661 1.00 0.00 C ATOM 1725 C HIS A 109 19.927 -23.726 5.997 1.00 0.00 C ATOM 1726 O HIS A 109 20.619 -24.695 6.314 1.00 0.00 O ATOM 1727 CB HIS A 109 17.655 -23.785 4.904 1.00 0.00 C ATOM 1728 CG HIS A 109 17.230 -24.993 5.682 1.00 0.00 C ATOM 1729 ND1 HIS A 109 17.091 -26.237 5.105 1.00 0.00 N ATOM 1730 CD2 HIS A 109 16.914 -25.145 6.988 1.00 0.00 C ATOM 1731 CE1 HIS A 109 16.708 -27.104 6.026 1.00 0.00 C ATOM 1732 NE2 HIS A 109 16.592 -26.466 7.176 1.00 0.00 N ATOM 0 H HIS A 109 20.034 -25.594 4.342 1.00 0.00 H new ATOM 0 HA HIS A 109 19.375 -22.774 4.142 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.337 -22.889 5.438 1.00 0.00 H new ATOM 0 HB3 HIS A 109 17.141 -23.783 3.943 1.00 0.00 H new ATOM 0 HD1 HIS A 109 17.257 -26.454 4.122 1.00 0.00 H new ATOM 0 HD2 HIS A 109 16.915 -24.372 7.742 1.00 0.00 H new ATOM 0 HE1 HIS A 109 16.522 -28.156 5.865 1.00 0.00 H new ATOM 1737 N HIS A 110 19.808 -22.657 6.776 1.00 0.00 N ATOM 1738 CA HIS A 110 20.492 -22.581 8.072 1.00 0.00 C ATOM 1739 C HIS A 110 19.529 -22.170 9.185 1.00 0.00 C ATOM 1740 O HIS A 110 18.577 -21.425 8.955 1.00 0.00 O ATOM 1741 CB HIS A 110 21.666 -21.599 8.008 1.00 0.00 C ATOM 1742 CG HIS A 110 22.740 -22.010 7.049 1.00 0.00 C ATOM 1743 ND1 HIS A 110 23.716 -22.928 7.374 1.00 0.00 N ATOM 1744 CD2 HIS A 110 22.995 -21.624 5.776 1.00 0.00 C ATOM 1745 CE1 HIS A 110 24.524 -23.091 6.341 1.00 0.00 C ATOM 1746 NE2 HIS A 110 24.108 -22.311 5.360 1.00 0.00 N ATOM 0 H HIS A 110 19.251 -21.836 6.541 1.00 0.00 H new ATOM 0 HA HIS A 110 20.875 -23.576 8.300 1.00 0.00 H new ATOM 0 HB2 HIS A 110 21.291 -20.616 7.722 1.00 0.00 H new ATOM 0 HB3 HIS A 110 22.099 -21.498 9.003 1.00 0.00 H new ATOM 0 HD1 HIS A 110 23.801 -23.406 8.271 1.00 0.00 H new ATOM 0 HD2 HIS A 110 22.429 -20.910 5.197 1.00 0.00 H new ATOM 0 HE1 HIS A 110 25.379 -23.750 6.305 1.00 0.00 H new ATOM 1751 N HIS A 111 19.803 -22.646 10.395 1.00 0.00 N ATOM 1752 CA HIS A 111 18.960 -22.355 11.558 1.00 0.00 C ATOM 1753 C HIS A 111 19.699 -21.411 12.536 1.00 0.00 C ATOM 1754 O HIS A 111 19.599 -20.179 12.366 1.00 0.00 O ATOM 1755 CB HIS A 111 18.553 -23.649 12.270 1.00 0.00 C ATOM 1756 CG HIS A 111 17.710 -24.558 11.430 1.00 0.00 C ATOM 1757 ND1 HIS A 111 16.336 -24.462 11.381 1.00 0.00 N ATOM 1758 CD2 HIS A 111 18.047 -25.580 10.609 1.00 0.00 C ATOM 1759 CE1 HIS A 111 15.863 -25.386 10.563 1.00 0.00 C ATOM 1760 NE2 HIS A 111 16.880 -26.077 10.082 1.00 0.00 N ATOM 1761 OXT HIS A 111 20.411 -21.904 13.436 1.00 0.00 O ATOM 0 H HIS A 111 20.607 -23.239 10.600 1.00 0.00 H new ATOM 0 HA HIS A 111 18.055 -21.857 11.209 1.00 0.00 H new ATOM 0 HB2 HIS A 111 19.452 -24.183 12.577 1.00 0.00 H new ATOM 0 HB3 HIS A 111 18.006 -23.397 13.178 1.00 0.00 H new ATOM 0 HD2 HIS A 111 19.046 -25.937 10.406 1.00 0.00 H new ATOM 0 HE1 HIS A 111 14.821 -25.548 10.328 1.00 0.00 H new ATOM 0 HE2 HIS A 111 16.810 -26.854 9.425 1.00 0.00 H new TER 1766 HIS A 111