USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 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 106 LYS NZ :NH3+ 173:sc= 0.606 (180deg=0) USER MOD Set 1.2: A 112 SER OG : rot 139:sc= 0.581 USER MOD Set 2.1: A 33 CYS SG : rot 131:sc= 0.072 USER MOD Set 2.2: A 35 HIS : no HD1:sc= 0.0548 X(o=0.13,f=0.065) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 10 ASN : amide:sc= 0.585 K(o=0.58,f=-8.5!) USER MOD Single : A 1 SER N :NH3+ 140:sc= 0.0242 (180deg=0) USER MOD Single : A 1 SER OG : rot -90:sc= 1.25 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -73:sc= 1.17 USER MOD Single : A 18 THR OG1 : rot 97:sc= 1.24 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 166:sc= 0 (180deg=-0.0402) USER MOD Single : A 36 CYS SG : rot 180:sc= 0.0337 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 161:sc= 1.2 USER MOD Single : A 48 THR OG1 : rot 66:sc= 1.2 USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.14) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -150:sc= 0.33 USER MOD Single : A 64 ASN : amide:sc= 1.29 K(o=1.3,f=-4.5!) USER MOD Single : A 65 THR OG1 : rot -45:sc= 1.22 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 67 THR OG1 : rot -87:sc= 1.2 USER MOD Single : A 69 ASN : amide:sc= 0.54 K(o=0.54,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot -166:sc= 0.652 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00414 USER MOD Single : A 80 LYS NZ :NH3+ 176:sc= 2.69 (180deg=2.66) USER MOD Single : A 91 TYR OH : rot 166:sc= 1.18 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 59:sc= 1.22 USER MOD Single : A 103 HIS : no HD1:sc=-0.00097 X(o=-0.00097,f=-0.07) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0.9 K(o=0.9,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.815 2.673 14.970 1.00 0.00 N ATOM 2 CA SER A 1 -2.526 2.357 13.549 1.00 0.00 C ATOM 3 C SER A 1 -2.017 0.927 13.375 1.00 0.00 C ATOM 4 O SER A 1 -1.399 0.351 14.274 1.00 0.00 O ATOM 5 CB SER A 1 -1.498 3.317 12.945 1.00 0.00 C ATOM 6 OG SER A 1 -2.052 4.615 12.825 1.00 0.00 O ATOM 0 H1 SER A 1 -2.501 3.642 15.181 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.838 2.595 15.142 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.309 2.004 15.584 1.00 0.00 H new ATOM 0 HA SER A 1 -3.474 2.469 13.023 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.608 3.350 13.573 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.184 2.956 11.966 1.00 0.00 H new ATOM 0 HG SER A 1 -2.482 4.707 11.949 1.00 0.00 H new ATOM 14 N ASP A 2 -2.228 0.373 12.176 1.00 0.00 N ATOM 15 CA ASP A 2 -1.776 -0.958 11.759 1.00 0.00 C ATOM 16 C ASP A 2 -1.006 -0.926 10.420 1.00 0.00 C ATOM 17 O ASP A 2 -0.295 -1.879 10.095 1.00 0.00 O ATOM 18 CB ASP A 2 -2.993 -1.898 11.699 1.00 0.00 C ATOM 19 CG ASP A 2 -3.489 -2.271 13.109 1.00 0.00 C ATOM 20 OD1 ASP A 2 -2.988 -3.276 13.675 1.00 0.00 O ATOM 21 OD2 ASP A 2 -4.354 -1.559 13.670 1.00 0.00 O ATOM 0 H ASP A 2 -2.739 0.860 11.440 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.065 -1.334 12.494 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.799 -1.417 11.144 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.728 -2.804 11.154 1.00 0.00 H new ATOM 26 N VAL A 3 -1.080 0.184 9.677 1.00 0.00 N ATOM 27 CA VAL A 3 -0.255 0.465 8.488 1.00 0.00 C ATOM 28 C VAL A 3 1.173 0.847 8.907 1.00 0.00 C ATOM 29 O VAL A 3 1.359 1.691 9.787 1.00 0.00 O ATOM 30 CB VAL A 3 -0.896 1.607 7.669 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.065 1.997 6.447 1.00 0.00 C ATOM 32 CG2 VAL A 3 -2.286 1.220 7.150 1.00 0.00 C ATOM 0 H VAL A 3 -1.734 0.937 9.890 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.204 -0.432 7.871 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.956 2.446 8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.564 2.804 5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.921 2.331 6.769 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.041 1.135 5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.705 2.049 6.579 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.204 0.342 6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.939 0.994 7.993 1.00 0.00 H new ATOM 42 N LEU A 4 2.191 0.255 8.269 1.00 0.00 N ATOM 43 CA LEU A 4 3.613 0.588 8.462 1.00 0.00 C ATOM 44 C LEU A 4 3.953 1.990 7.930 1.00 0.00 C ATOM 45 O LEU A 4 3.756 2.282 6.755 1.00 0.00 O ATOM 46 CB LEU A 4 4.492 -0.468 7.750 1.00 0.00 C ATOM 47 CG LEU A 4 4.894 -1.713 8.559 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.809 -1.337 9.723 1.00 0.00 C ATOM 49 CD2 LEU A 4 3.693 -2.507 9.078 1.00 0.00 C ATOM 0 H LEU A 4 2.047 -0.489 7.586 1.00 0.00 H new ATOM 0 HA LEU A 4 3.814 0.584 9.533 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.962 -0.802 6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.404 0.024 7.413 1.00 0.00 H new ATOM 0 HG LEU A 4 5.433 -2.360 7.866 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.078 -2.235 10.279 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.712 -0.864 9.338 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.290 -0.643 10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.044 -3.372 9.640 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.091 -1.872 9.728 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.087 -2.843 8.236 1.00 0.00 H new ATOM 61 N GLU A 5 4.517 2.857 8.765 1.00 0.00 N ATOM 62 CA GLU A 5 5.011 4.170 8.355 1.00 0.00 C ATOM 63 C GLU A 5 6.479 4.076 7.889 1.00 0.00 C ATOM 64 O GLU A 5 7.397 3.936 8.708 1.00 0.00 O ATOM 65 CB GLU A 5 4.821 5.123 9.544 1.00 0.00 C ATOM 66 CG GLU A 5 5.107 6.565 9.149 1.00 0.00 C ATOM 67 CD GLU A 5 4.805 7.527 10.315 1.00 0.00 C ATOM 68 OE1 GLU A 5 3.645 7.997 10.435 1.00 0.00 O ATOM 69 OE2 GLU A 5 5.718 7.803 11.136 1.00 0.00 O ATOM 0 H GLU A 5 4.646 2.666 9.759 1.00 0.00 H new ATOM 0 HA GLU A 5 4.455 4.555 7.500 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.800 5.042 9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.483 4.829 10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.151 6.664 8.852 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.502 6.836 8.283 1.00 0.00 H new ATOM 76 N LEU A 6 6.697 4.153 6.569 1.00 0.00 N ATOM 77 CA LEU A 6 8.007 3.967 5.921 1.00 0.00 C ATOM 78 C LEU A 6 8.516 5.227 5.199 1.00 0.00 C ATOM 79 O LEU A 6 7.788 6.197 4.969 1.00 0.00 O ATOM 80 CB LEU A 6 7.927 2.774 4.943 1.00 0.00 C ATOM 81 CG LEU A 6 7.501 1.438 5.569 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.534 0.350 4.497 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.398 0.977 6.718 1.00 0.00 C ATOM 0 H LEU A 6 5.950 4.351 5.904 1.00 0.00 H new ATOM 0 HA LEU A 6 8.732 3.762 6.708 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.224 3.024 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.903 2.642 4.476 1.00 0.00 H new ATOM 0 HG LEU A 6 6.502 1.600 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.233 -0.602 4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.848 0.612 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.545 0.262 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.032 0.027 7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.418 0.852 6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.384 1.723 7.512 1.00 0.00 H new ATOM 95 N THR A 7 9.798 5.199 4.827 1.00 0.00 N ATOM 96 CA THR A 7 10.531 6.270 4.114 1.00 0.00 C ATOM 97 C THR A 7 11.597 5.672 3.196 1.00 0.00 C ATOM 98 O THR A 7 11.939 4.498 3.319 1.00 0.00 O ATOM 99 CB THR A 7 11.251 7.222 5.092 1.00 0.00 C ATOM 100 OG1 THR A 7 12.216 6.524 5.848 1.00 0.00 O ATOM 101 CG2 THR A 7 10.323 7.927 6.077 1.00 0.00 C ATOM 0 H THR A 7 10.391 4.392 5.021 1.00 0.00 H new ATOM 0 HA THR A 7 9.787 6.823 3.541 1.00 0.00 H new ATOM 0 HB THR A 7 11.706 7.979 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.663 7.144 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.909 8.577 6.728 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.595 8.524 5.528 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.801 7.184 6.681 1.00 0.00 H new ATOM 109 N ASP A 8 12.197 6.473 2.316 1.00 0.00 N ATOM 110 CA ASP A 8 13.329 6.047 1.473 1.00 0.00 C ATOM 111 C ASP A 8 14.539 5.518 2.267 1.00 0.00 C ATOM 112 O ASP A 8 15.326 4.718 1.757 1.00 0.00 O ATOM 113 CB ASP A 8 13.749 7.220 0.585 1.00 0.00 C ATOM 114 CG ASP A 8 14.595 6.763 -0.614 1.00 0.00 C ATOM 115 OD1 ASP A 8 14.024 6.144 -1.547 1.00 0.00 O ATOM 116 OD2 ASP A 8 15.817 7.061 -0.644 1.00 0.00 O ATOM 0 H ASP A 8 11.915 7.441 2.162 1.00 0.00 H new ATOM 0 HA ASP A 8 12.984 5.205 0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.860 7.738 0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.318 7.937 1.177 1.00 0.00 H new ATOM 121 N ASP A 9 14.686 5.938 3.530 1.00 0.00 N ATOM 122 CA ASP A 9 15.755 5.509 4.440 1.00 0.00 C ATOM 123 C ASP A 9 15.596 4.065 4.964 1.00 0.00 C ATOM 124 O ASP A 9 16.591 3.449 5.358 1.00 0.00 O ATOM 125 CB ASP A 9 15.794 6.477 5.630 1.00 0.00 C ATOM 126 CG ASP A 9 17.027 6.264 6.522 1.00 0.00 C ATOM 127 OD1 ASP A 9 18.166 6.543 6.075 1.00 0.00 O ATOM 128 OD2 ASP A 9 16.854 5.866 7.703 1.00 0.00 O ATOM 0 H ASP A 9 14.045 6.605 3.959 1.00 0.00 H new ATOM 0 HA ASP A 9 16.684 5.523 3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.790 7.502 5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.891 6.350 6.227 1.00 0.00 H new ATOM 133 N ASN A 10 14.364 3.527 4.964 1.00 0.00 N ATOM 134 CA ASN A 10 14.055 2.206 5.541 1.00 0.00 C ATOM 135 C ASN A 10 13.282 1.252 4.609 1.00 0.00 C ATOM 136 O ASN A 10 13.447 0.033 4.727 1.00 0.00 O ATOM 137 CB ASN A 10 13.386 2.391 6.920 1.00 0.00 C ATOM 138 CG ASN A 10 12.031 3.089 6.920 1.00 0.00 C ATOM 139 OD1 ASN A 10 11.217 2.953 6.022 1.00 0.00 O ATOM 140 ND2 ASN A 10 11.727 3.858 7.937 1.00 0.00 N ATOM 0 H ASN A 10 13.552 3.997 4.563 1.00 0.00 H new ATOM 0 HA ASN A 10 15.004 1.687 5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.266 1.409 7.378 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.064 2.959 7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.823 4.330 7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.394 3.985 8.698 1.00 0.00 H new ATOM 147 N PHE A 11 12.518 1.753 3.631 1.00 0.00 N ATOM 148 CA PHE A 11 11.820 0.934 2.633 1.00 0.00 C ATOM 149 C PHE A 11 12.799 0.028 1.860 1.00 0.00 C ATOM 150 O PHE A 11 12.494 -1.128 1.576 1.00 0.00 O ATOM 151 CB PHE A 11 11.039 1.850 1.675 1.00 0.00 C ATOM 152 CG PHE A 11 10.155 1.108 0.684 1.00 0.00 C ATOM 153 CD1 PHE A 11 10.702 0.564 -0.498 1.00 0.00 C ATOM 154 CD2 PHE A 11 8.778 0.948 0.946 1.00 0.00 C ATOM 155 CE1 PHE A 11 9.889 -0.155 -1.390 1.00 0.00 C ATOM 156 CE2 PHE A 11 7.966 0.229 0.052 1.00 0.00 C ATOM 157 CZ PHE A 11 8.522 -0.319 -1.116 1.00 0.00 C ATOM 0 H PHE A 11 12.365 2.754 3.509 1.00 0.00 H new ATOM 0 HA PHE A 11 11.120 0.277 3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.418 2.527 2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.747 2.467 1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.750 0.701 -0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.346 1.380 1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.315 -0.581 -2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.915 0.098 0.263 1.00 0.00 H new ATOM 0 HZ PHE A 11 7.896 -0.868 -1.805 1.00 0.00 H new ATOM 167 N GLU A 12 14.012 0.531 1.609 1.00 0.00 N ATOM 168 CA GLU A 12 15.139 -0.142 0.939 1.00 0.00 C ATOM 169 C GLU A 12 15.708 -1.377 1.673 1.00 0.00 C ATOM 170 O GLU A 12 16.677 -1.991 1.219 1.00 0.00 O ATOM 171 CB GLU A 12 16.258 0.892 0.728 1.00 0.00 C ATOM 172 CG GLU A 12 15.906 1.987 -0.291 1.00 0.00 C ATOM 173 CD GLU A 12 15.978 1.452 -1.734 1.00 0.00 C ATOM 174 OE1 GLU A 12 14.977 0.885 -2.236 1.00 0.00 O ATOM 175 OE2 GLU A 12 17.043 1.592 -2.385 1.00 0.00 O ATOM 0 H GLU A 12 14.253 1.483 1.886 1.00 0.00 H new ATOM 0 HA GLU A 12 14.747 -0.533 0.000 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.492 1.360 1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.159 0.376 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.903 2.365 -0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 12 16.592 2.827 -0.177 1.00 0.00 H new ATOM 182 N SER A 13 15.129 -1.755 2.814 1.00 0.00 N ATOM 183 CA SER A 13 15.403 -3.025 3.508 1.00 0.00 C ATOM 184 C SER A 13 14.142 -3.795 3.932 1.00 0.00 C ATOM 185 O SER A 13 14.215 -5.008 4.128 1.00 0.00 O ATOM 186 CB SER A 13 16.350 -2.786 4.688 1.00 0.00 C ATOM 187 OG SER A 13 17.579 -2.295 4.175 1.00 0.00 O ATOM 0 H SER A 13 14.440 -1.177 3.296 1.00 0.00 H new ATOM 0 HA SER A 13 15.892 -3.677 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.916 -2.070 5.386 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.511 -3.712 5.240 1.00 0.00 H new ATOM 0 HG SER A 13 18.201 -2.133 4.915 1.00 0.00 H new ATOM 193 N ARG A 14 12.962 -3.161 3.965 1.00 0.00 N ATOM 194 CA ARG A 14 11.663 -3.854 4.149 1.00 0.00 C ATOM 195 C ARG A 14 11.324 -4.811 3.001 1.00 0.00 C ATOM 196 O ARG A 14 10.618 -5.788 3.241 1.00 0.00 O ATOM 197 CB ARG A 14 10.524 -2.841 4.279 1.00 0.00 C ATOM 198 CG ARG A 14 10.621 -1.916 5.502 1.00 0.00 C ATOM 199 CD ARG A 14 10.554 -2.655 6.842 1.00 0.00 C ATOM 200 NE ARG A 14 10.571 -1.712 7.981 1.00 0.00 N ATOM 201 CZ ARG A 14 11.625 -1.171 8.559 1.00 0.00 C ATOM 202 NH1 ARG A 14 12.842 -1.409 8.147 1.00 0.00 N ATOM 203 NH2 ARG A 14 11.483 -0.382 9.585 1.00 0.00 N ATOM 0 H ARG A 14 12.873 -2.150 3.865 1.00 0.00 H new ATOM 0 HA ARG A 14 11.768 -4.439 5.063 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.497 -2.228 3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.579 -3.382 4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.556 -1.359 5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.812 -1.186 5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.647 -3.259 6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.397 -3.341 6.923 1.00 0.00 H new ATOM 0 HE ARG A 14 9.662 -1.450 8.363 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.000 -2.031 7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 14 13.634 -0.973 8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 14 10.551 -0.179 9.947 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.303 0.033 10.027 1.00 0.00 H new ATOM 217 N ILE A 15 11.876 -4.605 1.802 1.00 0.00 N ATOM 218 CA ILE A 15 11.710 -5.533 0.661 1.00 0.00 C ATOM 219 C ILE A 15 12.170 -6.966 0.968 1.00 0.00 C ATOM 220 O ILE A 15 11.752 -7.914 0.301 1.00 0.00 O ATOM 221 CB ILE A 15 12.352 -5.009 -0.638 1.00 0.00 C ATOM 222 CG1 ILE A 15 13.858 -5.293 -0.822 1.00 0.00 C ATOM 223 CG2 ILE A 15 12.058 -3.521 -0.849 1.00 0.00 C ATOM 224 CD1 ILE A 15 14.778 -4.676 0.233 1.00 0.00 C ATOM 0 H ILE A 15 12.453 -3.792 1.587 1.00 0.00 H new ATOM 0 HA ILE A 15 10.634 -5.577 0.495 1.00 0.00 H new ATOM 0 HB ILE A 15 11.866 -5.601 -1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 15 14.009 -6.373 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 15 14.162 -4.927 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.526 -3.185 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.981 -3.368 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.458 -2.949 -0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.813 -4.936 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.666 -3.592 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.511 -5.060 1.218 1.00 0.00 H new ATOM 236 N SER A 16 13.030 -7.118 1.981 1.00 0.00 N ATOM 237 CA SER A 16 13.565 -8.413 2.435 1.00 0.00 C ATOM 238 C SER A 16 12.621 -9.212 3.353 1.00 0.00 C ATOM 239 O SER A 16 12.883 -10.386 3.627 1.00 0.00 O ATOM 240 CB SER A 16 14.928 -8.223 3.120 1.00 0.00 C ATOM 241 OG SER A 16 14.816 -7.613 4.396 1.00 0.00 O ATOM 0 H SER A 16 13.383 -6.329 2.522 1.00 0.00 H new ATOM 0 HA SER A 16 13.675 -9.010 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 16 15.416 -9.192 3.226 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.568 -7.612 2.484 1.00 0.00 H new ATOM 0 HG SER A 16 14.598 -6.664 4.287 1.00 0.00 H new ATOM 247 N ASP A 17 11.527 -8.599 3.834 1.00 0.00 N ATOM 248 CA ASP A 17 10.656 -9.156 4.885 1.00 0.00 C ATOM 249 C ASP A 17 9.453 -9.976 4.369 1.00 0.00 C ATOM 250 O ASP A 17 8.731 -10.596 5.154 1.00 0.00 O ATOM 251 CB ASP A 17 10.189 -7.994 5.778 1.00 0.00 C ATOM 252 CG ASP A 17 9.590 -8.462 7.114 1.00 0.00 C ATOM 253 OD1 ASP A 17 10.300 -9.149 7.890 1.00 0.00 O ATOM 254 OD2 ASP A 17 8.435 -8.097 7.430 1.00 0.00 O ATOM 0 H ASP A 17 11.217 -7.687 3.499 1.00 0.00 H new ATOM 0 HA ASP A 17 11.247 -9.880 5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.034 -7.335 5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.446 -7.406 5.240 1.00 0.00 H new ATOM 259 N THR A 18 9.229 -10.002 3.055 1.00 0.00 N ATOM 260 CA THR A 18 8.187 -10.801 2.390 1.00 0.00 C ATOM 261 C THR A 18 8.498 -12.307 2.395 1.00 0.00 C ATOM 262 O THR A 18 9.643 -12.741 2.569 1.00 0.00 O ATOM 263 CB THR A 18 7.962 -10.335 0.934 1.00 0.00 C ATOM 264 OG1 THR A 18 9.160 -10.343 0.196 1.00 0.00 O ATOM 265 CG2 THR A 18 7.385 -8.919 0.867 1.00 0.00 C ATOM 0 H THR A 18 9.783 -9.452 2.399 1.00 0.00 H new ATOM 0 HA THR A 18 7.278 -10.641 2.969 1.00 0.00 H new ATOM 0 HB THR A 18 7.252 -11.043 0.506 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.223 -11.176 -0.316 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.243 -8.633 -0.175 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.426 -8.892 1.384 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.074 -8.222 1.344 1.00 0.00 H new ATOM 273 N GLY A 19 7.456 -13.110 2.169 1.00 0.00 N ATOM 274 CA GLY A 19 7.562 -14.550 1.914 1.00 0.00 C ATOM 275 C GLY A 19 6.228 -15.292 2.030 1.00 0.00 C ATOM 276 O GLY A 19 5.773 -15.922 1.069 1.00 0.00 O ATOM 0 H GLY A 19 6.494 -12.771 2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.969 -14.705 0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.272 -14.984 2.618 1.00 0.00 H new ATOM 280 N SER A 20 5.567 -15.179 3.185 1.00 0.00 N ATOM 281 CA SER A 20 4.260 -15.799 3.466 1.00 0.00 C ATOM 282 C SER A 20 3.092 -15.113 2.733 1.00 0.00 C ATOM 283 O SER A 20 2.185 -15.785 2.237 1.00 0.00 O ATOM 284 CB SER A 20 3.985 -15.775 4.974 1.00 0.00 C ATOM 285 OG SER A 20 4.115 -14.462 5.504 1.00 0.00 O ATOM 0 H SER A 20 5.930 -14.642 3.972 1.00 0.00 H new ATOM 0 HA SER A 20 4.319 -16.823 3.098 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.980 -16.150 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.679 -16.445 5.483 1.00 0.00 H new ATOM 0 HG SER A 20 3.932 -14.478 6.467 1.00 0.00 H new ATOM 291 N ALA A 21 3.130 -13.782 2.631 1.00 0.00 N ATOM 292 CA ALA A 21 2.101 -12.968 1.978 1.00 0.00 C ATOM 293 C ALA A 21 2.132 -13.032 0.438 1.00 0.00 C ATOM 294 O ALA A 21 1.138 -12.711 -0.218 1.00 0.00 O ATOM 295 CB ALA A 21 2.294 -11.523 2.451 1.00 0.00 C ATOM 0 H ALA A 21 3.897 -13.226 3.010 1.00 0.00 H new ATOM 0 HA ALA A 21 1.126 -13.366 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.544 -10.884 1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.187 -11.477 3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.289 -11.178 2.170 1.00 0.00 H new ATOM 301 N GLY A 22 3.275 -13.393 -0.157 1.00 0.00 N ATOM 302 CA GLY A 22 3.512 -13.402 -1.614 1.00 0.00 C ATOM 303 C GLY A 22 3.800 -12.016 -2.223 1.00 0.00 C ATOM 304 O GLY A 22 4.459 -11.929 -3.261 1.00 0.00 O ATOM 0 H GLY A 22 4.090 -13.698 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.353 -14.061 -1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.639 -13.828 -2.109 1.00 0.00 H new ATOM 308 N LEU A 23 3.363 -10.928 -1.578 1.00 0.00 N ATOM 309 CA LEU A 23 3.610 -9.539 -1.977 1.00 0.00 C ATOM 310 C LEU A 23 3.576 -8.580 -0.778 1.00 0.00 C ATOM 311 O LEU A 23 3.196 -8.960 0.332 1.00 0.00 O ATOM 312 CB LEU A 23 2.592 -9.138 -3.076 1.00 0.00 C ATOM 313 CG LEU A 23 1.098 -9.037 -2.664 1.00 0.00 C ATOM 314 CD1 LEU A 23 0.736 -7.694 -2.020 1.00 0.00 C ATOM 315 CD2 LEU A 23 0.227 -9.170 -3.917 1.00 0.00 C ATOM 0 H LEU A 23 2.804 -10.995 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 23 4.617 -9.462 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.896 -8.172 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.669 -9.862 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 23 0.926 -9.831 -1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.322 -7.690 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.335 -7.549 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.937 -6.887 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.824 -9.100 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.471 -8.370 -4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.414 -10.134 -4.389 1.00 0.00 H new ATOM 327 N MET A 24 3.924 -7.321 -1.038 1.00 0.00 N ATOM 328 CA MET A 24 3.756 -6.184 -0.130 1.00 0.00 C ATOM 329 C MET A 24 3.013 -5.062 -0.864 1.00 0.00 C ATOM 330 O MET A 24 3.174 -4.895 -2.075 1.00 0.00 O ATOM 331 CB MET A 24 5.146 -5.753 0.363 1.00 0.00 C ATOM 332 CG MET A 24 5.114 -4.566 1.330 1.00 0.00 C ATOM 333 SD MET A 24 6.731 -4.226 2.084 1.00 0.00 S ATOM 334 CE MET A 24 6.263 -2.873 3.191 1.00 0.00 C ATOM 0 H MET A 24 4.349 -7.052 -1.925 1.00 0.00 H new ATOM 0 HA MET A 24 3.157 -6.449 0.741 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.626 -6.599 0.855 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.763 -5.493 -0.497 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.773 -3.678 0.797 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.386 -4.764 2.117 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.062 -2.700 3.912 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.097 -1.967 2.608 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.347 -3.136 3.721 1.00 0.00 H new ATOM 344 N LEU A 25 2.209 -4.293 -0.121 1.00 0.00 N ATOM 345 CA LEU A 25 1.397 -3.191 -0.645 1.00 0.00 C ATOM 346 C LEU A 25 1.789 -1.890 0.069 1.00 0.00 C ATOM 347 O LEU A 25 1.917 -1.861 1.296 1.00 0.00 O ATOM 348 CB LEU A 25 -0.093 -3.543 -0.445 1.00 0.00 C ATOM 349 CG LEU A 25 -1.096 -2.559 -1.086 1.00 0.00 C ATOM 350 CD1 LEU A 25 -1.114 -2.654 -2.612 1.00 0.00 C ATOM 351 CD2 LEU A 25 -2.515 -2.872 -0.618 1.00 0.00 C ATOM 0 H LEU A 25 2.103 -4.424 0.885 1.00 0.00 H new ATOM 0 HA LEU A 25 1.571 -3.043 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.273 -4.537 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.296 -3.597 0.625 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.775 -1.563 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.835 -1.942 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.123 -2.425 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.397 -3.663 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.212 -2.171 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.778 -3.889 -0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.569 -2.780 0.467 1.00 0.00 H new ATOM 363 N VAL A 26 1.966 -0.807 -0.692 1.00 0.00 N ATOM 364 CA VAL A 26 2.360 0.513 -0.166 1.00 0.00 C ATOM 365 C VAL A 26 1.518 1.625 -0.798 1.00 0.00 C ATOM 366 O VAL A 26 1.111 1.517 -1.950 1.00 0.00 O ATOM 367 CB VAL A 26 3.876 0.741 -0.324 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.323 0.819 -1.784 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.379 1.998 0.398 1.00 0.00 C ATOM 0 H VAL A 26 1.839 -0.817 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 26 2.155 0.539 0.904 1.00 0.00 H new ATOM 0 HB VAL A 26 4.319 -0.139 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.400 0.980 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.076 -0.114 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.812 1.646 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.454 2.099 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.872 2.875 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.169 1.914 1.464 1.00 0.00 H new ATOM 379 N GLU A 27 1.260 2.692 -0.047 1.00 0.00 N ATOM 380 CA GLU A 27 0.462 3.851 -0.469 1.00 0.00 C ATOM 381 C GLU A 27 1.274 5.147 -0.379 1.00 0.00 C ATOM 382 O GLU A 27 1.893 5.440 0.649 1.00 0.00 O ATOM 383 CB GLU A 27 -0.806 3.939 0.396 1.00 0.00 C ATOM 384 CG GLU A 27 -1.733 5.089 -0.022 1.00 0.00 C ATOM 385 CD GLU A 27 -2.962 5.164 0.905 1.00 0.00 C ATOM 386 OE1 GLU A 27 -3.973 4.478 0.626 1.00 0.00 O ATOM 387 OE2 GLU A 27 -2.926 5.936 1.894 1.00 0.00 O ATOM 0 H GLU A 27 1.611 2.782 0.907 1.00 0.00 H new ATOM 0 HA GLU A 27 0.177 3.720 -1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.351 2.997 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.520 4.070 1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.188 6.032 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.057 4.945 -1.053 1.00 0.00 H new ATOM 394 N PHE A 28 1.229 5.943 -1.445 1.00 0.00 N ATOM 395 CA PHE A 28 1.828 7.278 -1.503 1.00 0.00 C ATOM 396 C PHE A 28 0.755 8.372 -1.476 1.00 0.00 C ATOM 397 O PHE A 28 -0.265 8.285 -2.168 1.00 0.00 O ATOM 398 CB PHE A 28 2.702 7.416 -2.753 1.00 0.00 C ATOM 399 CG PHE A 28 4.024 6.683 -2.662 1.00 0.00 C ATOM 400 CD1 PHE A 28 4.064 5.287 -2.811 1.00 0.00 C ATOM 401 CD2 PHE A 28 5.210 7.404 -2.421 1.00 0.00 C ATOM 402 CE1 PHE A 28 5.282 4.601 -2.678 1.00 0.00 C ATOM 403 CE2 PHE A 28 6.435 6.718 -2.318 1.00 0.00 C ATOM 404 CZ PHE A 28 6.469 5.314 -2.426 1.00 0.00 C ATOM 0 H PHE A 28 0.765 5.674 -2.313 1.00 0.00 H new ATOM 0 HA PHE A 28 2.455 7.403 -0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.149 7.041 -3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.896 8.473 -2.934 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.158 4.741 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.180 8.478 -2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.308 3.525 -2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.350 7.269 -2.156 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.404 4.786 -2.316 1.00 0.00 H new ATOM 414 N PHE A 29 1.029 9.428 -0.705 1.00 0.00 N ATOM 415 CA PHE A 29 0.194 10.622 -0.532 1.00 0.00 C ATOM 416 C PHE A 29 1.066 11.851 -0.191 1.00 0.00 C ATOM 417 O PHE A 29 2.287 11.746 -0.169 1.00 0.00 O ATOM 418 CB PHE A 29 -0.872 10.314 0.537 1.00 0.00 C ATOM 419 CG PHE A 29 -2.012 11.312 0.609 1.00 0.00 C ATOM 420 CD1 PHE A 29 -2.890 11.444 -0.487 1.00 0.00 C ATOM 421 CD2 PHE A 29 -2.185 12.123 1.744 1.00 0.00 C ATOM 422 CE1 PHE A 29 -3.925 12.400 -0.451 1.00 0.00 C ATOM 423 CE2 PHE A 29 -3.222 13.075 1.777 1.00 0.00 C ATOM 424 CZ PHE A 29 -4.085 13.220 0.678 1.00 0.00 C ATOM 0 H PHE A 29 1.886 9.476 -0.154 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.320 10.876 -1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.286 9.325 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.386 10.269 1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.769 10.812 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.523 12.016 2.590 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.595 12.502 -1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.354 13.696 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.870 13.961 0.701 1.00 0.00 H new ATOM 434 N ALA A 30 0.477 13.022 0.054 1.00 0.00 N ATOM 435 CA ALA A 30 1.169 14.211 0.561 1.00 0.00 C ATOM 436 C ALA A 30 0.200 15.052 1.428 1.00 0.00 C ATOM 437 O ALA A 30 -0.981 15.158 1.080 1.00 0.00 O ATOM 438 CB ALA A 30 1.669 15.043 -0.627 1.00 0.00 C ATOM 0 H ALA A 30 -0.520 13.175 -0.098 1.00 0.00 H new ATOM 0 HA ALA A 30 2.017 13.910 1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.185 15.930 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.356 14.446 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.821 15.346 -1.242 1.00 0.00 H new ATOM 444 N PRO A 31 0.661 15.700 2.516 1.00 0.00 N ATOM 445 CA PRO A 31 -0.193 16.451 3.450 1.00 0.00 C ATOM 446 C PRO A 31 -0.731 17.798 2.911 1.00 0.00 C ATOM 447 O PRO A 31 -1.375 18.548 3.652 1.00 0.00 O ATOM 448 CB PRO A 31 0.683 16.643 4.698 1.00 0.00 C ATOM 449 CG PRO A 31 2.092 16.717 4.128 1.00 0.00 C ATOM 450 CD PRO A 31 2.043 15.721 2.969 1.00 0.00 C ATOM 0 HA PRO A 31 -1.111 15.896 3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.419 17.552 5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.575 15.814 5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.338 17.723 3.787 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.843 16.439 4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.713 16.025 2.165 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.363 14.730 3.292 1.00 0.00 H new ATOM 458 N TRP A 32 -0.469 18.135 1.641 1.00 0.00 N ATOM 459 CA TRP A 32 -0.867 19.395 0.994 1.00 0.00 C ATOM 460 C TRP A 32 -2.393 19.570 0.830 1.00 0.00 C ATOM 461 O TRP A 32 -2.856 20.680 0.559 1.00 0.00 O ATOM 462 CB TRP A 32 -0.187 19.505 -0.380 1.00 0.00 C ATOM 463 CG TRP A 32 1.307 19.387 -0.467 1.00 0.00 C ATOM 464 CD1 TRP A 32 2.182 19.308 0.563 1.00 0.00 C ATOM 465 CD2 TRP A 32 2.121 19.345 -1.683 1.00 0.00 C ATOM 466 NE1 TRP A 32 3.465 19.177 0.070 1.00 0.00 N ATOM 467 CE2 TRP A 32 3.488 19.193 -1.307 1.00 0.00 C ATOM 468 CE3 TRP A 32 1.848 19.429 -3.069 1.00 0.00 C ATOM 469 CZ2 TRP A 32 4.527 19.115 -2.243 1.00 0.00 C ATOM 470 CZ3 TRP A 32 2.886 19.354 -4.019 1.00 0.00 C ATOM 471 CH2 TRP A 32 4.222 19.185 -3.611 1.00 0.00 C ATOM 0 H TRP A 32 0.044 17.517 1.013 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.540 20.193 1.660 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.615 18.735 -1.021 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.466 20.468 -0.809 1.00 0.00 H new ATOM 0 HD1 TRP A 32 1.917 19.342 1.609 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.295 19.080 0.655 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.829 19.552 -3.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 5.550 19.002 -1.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.654 19.427 -5.071 1.00 0.00 H new ATOM 0 HH2 TRP A 32 5.009 19.110 -4.347 1.00 0.00 H new ATOM 482 N CYS A 33 -3.176 18.501 0.991 1.00 0.00 N ATOM 483 CA CYS A 33 -4.637 18.481 0.850 1.00 0.00 C ATOM 484 C CYS A 33 -5.315 17.568 1.896 1.00 0.00 C ATOM 485 O CYS A 33 -4.652 16.781 2.578 1.00 0.00 O ATOM 486 CB CYS A 33 -4.988 18.098 -0.602 1.00 0.00 C ATOM 487 SG CYS A 33 -4.366 16.440 -1.028 1.00 0.00 S ATOM 0 H CYS A 33 -2.795 17.586 1.233 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.033 19.476 1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.069 18.127 -0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.563 18.833 -1.286 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.321 15.744 -1.570 1.00 0.00 H new ATOM 493 N GLY A 34 -6.643 17.672 2.022 1.00 0.00 N ATOM 494 CA GLY A 34 -7.425 17.035 3.098 1.00 0.00 C ATOM 495 C GLY A 34 -8.034 15.668 2.760 1.00 0.00 C ATOM 496 O GLY A 34 -8.760 15.107 3.582 1.00 0.00 O ATOM 0 H GLY A 34 -7.217 18.208 1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.781 16.919 3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.231 17.710 3.384 1.00 0.00 H new ATOM 500 N HIS A 35 -7.759 15.101 1.579 1.00 0.00 N ATOM 501 CA HIS A 35 -8.330 13.821 1.128 1.00 0.00 C ATOM 502 C HIS A 35 -7.958 12.612 2.016 1.00 0.00 C ATOM 503 O HIS A 35 -8.639 11.583 1.986 1.00 0.00 O ATOM 504 CB HIS A 35 -7.948 13.567 -0.338 1.00 0.00 C ATOM 505 CG HIS A 35 -8.322 14.678 -1.292 1.00 0.00 C ATOM 506 ND1 HIS A 35 -7.538 15.160 -2.315 1.00 0.00 N ATOM 507 CD2 HIS A 35 -9.491 15.392 -1.311 1.00 0.00 C ATOM 508 CE1 HIS A 35 -8.210 16.152 -2.930 1.00 0.00 C ATOM 509 NE2 HIS A 35 -9.409 16.331 -2.352 1.00 0.00 N ATOM 0 H HIS A 35 -7.126 15.522 0.899 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.412 13.918 1.219 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.872 13.405 -0.395 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.427 12.646 -0.669 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.329 15.257 -0.643 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.838 16.722 -3.768 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.119 17.014 -2.617 1.00 0.00 H new ATOM 517 N CYS A 36 -6.926 12.737 2.861 1.00 0.00 N ATOM 518 CA CYS A 36 -6.584 11.754 3.900 1.00 0.00 C ATOM 519 C CYS A 36 -7.753 11.433 4.856 1.00 0.00 C ATOM 520 O CYS A 36 -7.897 10.277 5.252 1.00 0.00 O ATOM 521 CB CYS A 36 -5.345 12.230 4.679 1.00 0.00 C ATOM 522 SG CYS A 36 -5.577 13.903 5.354 1.00 0.00 S ATOM 0 H CYS A 36 -6.294 13.537 2.842 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.359 10.817 3.390 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -5.137 11.535 5.492 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.476 12.220 4.022 1.00 0.00 H new ATOM 0 HG CYS A 36 -4.509 14.261 6.004 1.00 0.00 H new ATOM 528 N LYS A 37 -8.653 12.387 5.149 1.00 0.00 N ATOM 529 CA LYS A 37 -9.840 12.173 6.010 1.00 0.00 C ATOM 530 C LYS A 37 -10.795 11.070 5.511 1.00 0.00 C ATOM 531 O LYS A 37 -11.543 10.512 6.314 1.00 0.00 O ATOM 532 CB LYS A 37 -10.611 13.496 6.208 1.00 0.00 C ATOM 533 CG LYS A 37 -10.096 14.379 7.359 1.00 0.00 C ATOM 534 CD LYS A 37 -8.639 14.839 7.220 1.00 0.00 C ATOM 535 CE LYS A 37 -8.253 15.892 8.274 1.00 0.00 C ATOM 536 NZ LYS A 37 -8.247 15.357 9.662 1.00 0.00 N ATOM 0 H LYS A 37 -8.581 13.340 4.793 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.449 11.821 6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.565 14.069 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.661 13.265 6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.734 15.260 7.435 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.200 13.829 8.294 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.978 13.977 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.485 15.253 6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.264 16.286 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.951 16.727 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.980 16.113 10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.196 15.005 9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.561 14.578 9.731 1.00 0.00 H new ATOM 550 N ARG A 38 -10.751 10.732 4.218 1.00 0.00 N ATOM 551 CA ARG A 38 -11.642 9.810 3.508 1.00 0.00 C ATOM 552 C ARG A 38 -10.955 8.487 3.124 1.00 0.00 C ATOM 553 O ARG A 38 -11.644 7.525 2.775 1.00 0.00 O ATOM 554 CB ARG A 38 -12.119 10.647 2.308 1.00 0.00 C ATOM 555 CG ARG A 38 -12.768 9.898 1.157 1.00 0.00 C ATOM 556 CD ARG A 38 -14.077 9.195 1.538 1.00 0.00 C ATOM 557 NE ARG A 38 -14.613 8.393 0.420 1.00 0.00 N ATOM 558 CZ ARG A 38 -14.222 7.190 0.039 1.00 0.00 C ATOM 559 NH1 ARG A 38 -13.263 6.536 0.633 1.00 0.00 N ATOM 560 NH2 ARG A 38 -14.802 6.616 -0.979 1.00 0.00 N ATOM 0 H ARG A 38 -10.042 11.123 3.597 1.00 0.00 H new ATOM 0 HA ARG A 38 -12.475 9.459 4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.830 11.388 2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.262 11.194 1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.965 10.598 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.066 9.157 0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.906 8.549 2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.815 9.939 1.839 1.00 0.00 H new ATOM 0 HE ARG A 38 -15.370 8.815 -0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.779 6.952 1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.997 5.609 0.302 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.553 7.096 -1.476 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.505 5.687 -1.278 1.00 0.00 H new ATOM 574 N LEU A 39 -9.627 8.413 3.223 1.00 0.00 N ATOM 575 CA LEU A 39 -8.819 7.256 2.819 1.00 0.00 C ATOM 576 C LEU A 39 -8.004 6.648 3.971 1.00 0.00 C ATOM 577 O LEU A 39 -7.823 5.430 4.013 1.00 0.00 O ATOM 578 CB LEU A 39 -7.914 7.718 1.664 1.00 0.00 C ATOM 579 CG LEU A 39 -6.975 6.630 1.110 1.00 0.00 C ATOM 580 CD1 LEU A 39 -7.737 5.462 0.487 1.00 0.00 C ATOM 581 CD2 LEU A 39 -6.097 7.273 0.032 1.00 0.00 C ATOM 0 H LEU A 39 -9.065 9.178 3.597 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.480 6.450 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.542 8.085 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.312 8.559 2.006 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.386 6.233 1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.028 4.724 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.376 5.002 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.351 5.826 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.420 6.525 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.729 7.668 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.517 8.085 0.471 1.00 0.00 H new ATOM 593 N ALA A 40 -7.579 7.446 4.958 1.00 0.00 N ATOM 594 CA ALA A 40 -6.935 6.929 6.170 1.00 0.00 C ATOM 595 C ALA A 40 -7.785 5.872 6.918 1.00 0.00 C ATOM 596 O ALA A 40 -7.233 4.820 7.254 1.00 0.00 O ATOM 597 CB ALA A 40 -6.521 8.094 7.074 1.00 0.00 C ATOM 0 H ALA A 40 -7.671 8.462 4.939 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.039 6.391 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.043 7.705 7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.821 8.738 6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.404 8.670 7.353 1.00 0.00 H new ATOM 603 N PRO A 41 -9.110 6.048 7.136 1.00 0.00 N ATOM 604 CA PRO A 41 -9.928 5.028 7.791 1.00 0.00 C ATOM 605 C PRO A 41 -10.216 3.813 6.895 1.00 0.00 C ATOM 606 O PRO A 41 -10.691 2.793 7.395 1.00 0.00 O ATOM 607 CB PRO A 41 -11.213 5.747 8.218 1.00 0.00 C ATOM 608 CG PRO A 41 -11.374 6.830 7.158 1.00 0.00 C ATOM 609 CD PRO A 41 -9.930 7.229 6.864 1.00 0.00 C ATOM 0 HA PRO A 41 -9.400 4.602 8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -12.067 5.070 8.235 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.124 6.172 9.218 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.879 6.454 6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.960 7.672 7.525 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.819 7.548 5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.624 8.067 7.490 1.00 0.00 H new ATOM 617 N GLU A 42 -9.917 3.877 5.591 1.00 0.00 N ATOM 618 CA GLU A 42 -10.057 2.734 4.680 1.00 0.00 C ATOM 619 C GLU A 42 -8.797 1.857 4.667 1.00 0.00 C ATOM 620 O GLU A 42 -8.877 0.631 4.736 1.00 0.00 O ATOM 621 CB GLU A 42 -10.337 3.227 3.251 1.00 0.00 C ATOM 622 CG GLU A 42 -11.695 3.917 3.095 1.00 0.00 C ATOM 623 CD GLU A 42 -12.863 2.960 3.411 1.00 0.00 C ATOM 624 OE1 GLU A 42 -12.900 1.851 2.824 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.748 3.313 4.230 1.00 0.00 O ATOM 0 H GLU A 42 -9.571 4.723 5.138 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.892 2.134 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.550 3.921 2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.289 2.379 2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.743 4.780 3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.797 4.292 2.077 1.00 0.00 H new ATOM 632 N TYR A 43 -7.616 2.473 4.604 1.00 0.00 N ATOM 633 CA TYR A 43 -6.363 1.737 4.475 1.00 0.00 C ATOM 634 C TYR A 43 -5.887 1.116 5.808 1.00 0.00 C ATOM 635 O TYR A 43 -5.364 0.007 5.824 1.00 0.00 O ATOM 636 CB TYR A 43 -5.319 2.678 3.857 1.00 0.00 C ATOM 637 CG TYR A 43 -4.066 2.000 3.330 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.148 1.012 2.326 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.809 2.425 3.789 1.00 0.00 C ATOM 640 CE1 TYR A 43 -2.980 0.438 1.794 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.639 1.867 3.253 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.719 0.873 2.256 1.00 0.00 C ATOM 643 OH TYR A 43 -0.577 0.374 1.721 1.00 0.00 O ATOM 0 H TYR A 43 -7.504 3.486 4.641 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.517 0.881 3.819 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.787 3.226 3.039 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.027 3.413 4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.115 0.695 1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.743 3.183 4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.047 -0.330 1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.674 2.200 3.605 1.00 0.00 H new ATOM 0 HH TYR A 43 0.169 0.977 1.922 1.00 0.00 H new ATOM 653 N GLU A 44 -6.154 1.766 6.950 1.00 0.00 N ATOM 654 CA GLU A 44 -5.949 1.173 8.291 1.00 0.00 C ATOM 655 C GLU A 44 -6.880 -0.018 8.527 1.00 0.00 C ATOM 656 O GLU A 44 -6.479 -1.043 9.082 1.00 0.00 O ATOM 657 CB GLU A 44 -6.241 2.212 9.375 1.00 0.00 C ATOM 658 CG GLU A 44 -5.299 3.415 9.332 1.00 0.00 C ATOM 659 CD GLU A 44 -4.022 3.248 10.180 1.00 0.00 C ATOM 660 OE1 GLU A 44 -3.490 2.120 10.329 1.00 0.00 O ATOM 661 OE2 GLU A 44 -3.540 4.274 10.725 1.00 0.00 O ATOM 0 H GLU A 44 -6.519 2.718 6.976 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.912 0.840 8.338 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.268 2.560 9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.167 1.737 10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.013 3.601 8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.838 4.297 9.677 1.00 0.00 H new ATOM 668 N ALA A 45 -8.122 0.109 8.067 1.00 0.00 N ATOM 669 CA ALA A 45 -9.091 -0.988 8.075 1.00 0.00 C ATOM 670 C ALA A 45 -8.637 -2.165 7.195 1.00 0.00 C ATOM 671 O ALA A 45 -8.715 -3.304 7.642 1.00 0.00 O ATOM 672 CB ALA A 45 -10.479 -0.464 7.691 1.00 0.00 C ATOM 0 H ALA A 45 -8.488 0.978 7.677 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.154 -1.387 9.087 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.194 -1.287 7.699 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.792 0.296 8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.440 -0.028 6.693 1.00 0.00 H new ATOM 678 N ALA A 46 -8.090 -1.923 6.000 1.00 0.00 N ATOM 679 CA ALA A 46 -7.461 -2.963 5.184 1.00 0.00 C ATOM 680 C ALA A 46 -6.287 -3.641 5.904 1.00 0.00 C ATOM 681 O ALA A 46 -6.207 -4.866 5.935 1.00 0.00 O ATOM 682 CB ALA A 46 -6.982 -2.351 3.869 1.00 0.00 C ATOM 0 H ALA A 46 -8.071 -0.998 5.571 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.208 -3.734 4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.513 -3.122 3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.832 -1.931 3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.258 -1.563 4.077 1.00 0.00 H new ATOM 688 N ALA A 47 -5.407 -2.857 6.538 1.00 0.00 N ATOM 689 CA ALA A 47 -4.258 -3.369 7.290 1.00 0.00 C ATOM 690 C ALA A 47 -4.679 -4.176 8.529 1.00 0.00 C ATOM 691 O ALA A 47 -3.997 -5.126 8.903 1.00 0.00 O ATOM 692 CB ALA A 47 -3.356 -2.190 7.663 1.00 0.00 C ATOM 0 H ALA A 47 -5.474 -1.839 6.543 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.708 -4.068 6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.495 -2.554 8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.014 -1.692 6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.916 -1.483 8.276 1.00 0.00 H new ATOM 698 N THR A 48 -5.830 -3.837 9.125 1.00 0.00 N ATOM 699 CA THR A 48 -6.472 -4.607 10.207 1.00 0.00 C ATOM 700 C THR A 48 -7.093 -5.907 9.684 1.00 0.00 C ATOM 701 O THR A 48 -6.903 -6.968 10.283 1.00 0.00 O ATOM 702 CB THR A 48 -7.551 -3.759 10.908 1.00 0.00 C ATOM 703 OG1 THR A 48 -7.016 -2.530 11.353 1.00 0.00 O ATOM 704 CG2 THR A 48 -8.139 -4.449 12.137 1.00 0.00 C ATOM 0 H THR A 48 -6.355 -3.002 8.865 1.00 0.00 H new ATOM 0 HA THR A 48 -5.695 -4.867 10.926 1.00 0.00 H new ATOM 0 HB THR A 48 -8.331 -3.611 10.161 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.762 -1.984 10.579 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.893 -3.805 12.590 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.598 -5.392 11.840 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.346 -4.643 12.860 1.00 0.00 H new ATOM 712 N ARG A 49 -7.798 -5.859 8.542 1.00 0.00 N ATOM 713 CA ARG A 49 -8.483 -7.021 7.925 1.00 0.00 C ATOM 714 C ARG A 49 -7.518 -8.022 7.268 1.00 0.00 C ATOM 715 O ARG A 49 -7.858 -9.194 7.130 1.00 0.00 O ATOM 716 CB ARG A 49 -9.529 -6.517 6.921 1.00 0.00 C ATOM 717 CG ARG A 49 -10.733 -5.880 7.636 1.00 0.00 C ATOM 718 CD ARG A 49 -11.713 -5.208 6.668 1.00 0.00 C ATOM 719 NE ARG A 49 -12.457 -6.180 5.844 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.356 -5.899 4.916 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.725 -4.682 4.639 1.00 0.00 N ATOM 722 NH2 ARG A 49 -13.916 -6.846 4.225 1.00 0.00 N ATOM 0 H ARG A 49 -7.914 -4.998 8.007 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.974 -7.575 8.725 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -9.072 -5.786 6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.869 -7.346 6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.259 -6.647 8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.375 -5.142 8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.420 -4.603 7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.164 -4.529 6.015 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.258 -7.167 6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.317 -3.897 5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.423 -4.513 3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.664 -7.819 4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.608 -6.616 3.512 1.00 0.00 H new ATOM 736 N LEU A 50 -6.307 -7.574 6.919 1.00 0.00 N ATOM 737 CA LEU A 50 -5.222 -8.368 6.316 1.00 0.00 C ATOM 738 C LEU A 50 -4.019 -8.538 7.268 1.00 0.00 C ATOM 739 O LEU A 50 -2.930 -8.912 6.824 1.00 0.00 O ATOM 740 CB LEU A 50 -4.812 -7.744 4.965 1.00 0.00 C ATOM 741 CG LEU A 50 -5.934 -7.639 3.913 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.393 -6.994 2.635 1.00 0.00 C ATOM 743 CD2 LEU A 50 -6.497 -9.018 3.553 1.00 0.00 C ATOM 0 H LEU A 50 -6.040 -6.599 7.055 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.595 -9.376 6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.418 -6.745 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.998 -8.334 4.544 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.729 -7.031 4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.192 -6.923 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.019 -5.996 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.582 -7.603 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.286 -8.906 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.701 -9.641 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.906 -9.489 4.447 1.00 0.00 H new ATOM 755 N LYS A 51 -4.181 -8.280 8.570 1.00 0.00 N ATOM 756 CA LYS A 51 -3.128 -8.434 9.586 1.00 0.00 C ATOM 757 C LYS A 51 -2.649 -9.886 9.670 1.00 0.00 C ATOM 758 O LYS A 51 -3.437 -10.788 9.952 1.00 0.00 O ATOM 759 CB LYS A 51 -3.655 -7.911 10.931 1.00 0.00 C ATOM 760 CG LYS A 51 -2.529 -7.699 11.958 1.00 0.00 C ATOM 761 CD LYS A 51 -3.048 -6.895 13.156 1.00 0.00 C ATOM 762 CE LYS A 51 -1.908 -6.589 14.131 1.00 0.00 C ATOM 763 NZ LYS A 51 -2.334 -5.589 15.148 1.00 0.00 N ATOM 0 H LYS A 51 -5.065 -7.951 8.958 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.255 -7.845 9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.180 -6.969 10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.382 -8.617 11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.149 -8.663 12.295 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.696 -7.173 11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.498 -5.964 12.810 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.830 -7.456 13.667 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.592 -7.507 14.627 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.046 -6.211 13.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.556 -5.422 15.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.581 -4.696 14.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.163 -5.949 15.662 1.00 0.00 H new ATOM 777 N GLY A 52 -1.365 -10.110 9.384 1.00 0.00 N ATOM 778 CA GLY A 52 -0.780 -11.451 9.254 1.00 0.00 C ATOM 779 C GLY A 52 -1.056 -12.151 7.912 1.00 0.00 C ATOM 780 O GLY A 52 -0.744 -13.333 7.769 1.00 0.00 O ATOM 0 H GLY A 52 -0.692 -9.358 9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.299 -11.376 9.393 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.162 -12.078 10.060 1.00 0.00 H new ATOM 784 N ILE A 53 -1.639 -11.442 6.935 1.00 0.00 N ATOM 785 CA ILE A 53 -2.022 -11.955 5.601 1.00 0.00 C ATOM 786 C ILE A 53 -1.329 -11.154 4.483 1.00 0.00 C ATOM 787 O ILE A 53 -0.788 -11.761 3.559 1.00 0.00 O ATOM 788 CB ILE A 53 -3.564 -11.960 5.423 1.00 0.00 C ATOM 789 CG1 ILE A 53 -4.291 -12.648 6.609 1.00 0.00 C ATOM 790 CG2 ILE A 53 -3.951 -12.642 4.096 1.00 0.00 C ATOM 791 CD1 ILE A 53 -5.817 -12.677 6.510 1.00 0.00 C ATOM 0 H ILE A 53 -1.868 -10.455 7.052 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.682 -12.988 5.528 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.887 -10.919 5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.929 -13.673 6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.012 -12.137 7.531 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.036 -12.637 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.500 -12.101 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.591 -13.671 4.097 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.229 -13.178 7.386 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.198 -11.657 6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.113 -13.217 5.610 1.00 0.00 H new ATOM 803 N VAL A 54 -1.263 -9.816 4.595 1.00 0.00 N ATOM 804 CA VAL A 54 -0.513 -8.918 3.683 1.00 0.00 C ATOM 805 C VAL A 54 0.068 -7.729 4.467 1.00 0.00 C ATOM 806 O VAL A 54 -0.692 -7.039 5.151 1.00 0.00 O ATOM 807 CB VAL A 54 -1.402 -8.349 2.547 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.544 -7.634 1.492 1.00 0.00 C ATOM 809 CG2 VAL A 54 -2.198 -9.417 1.796 1.00 0.00 C ATOM 0 H VAL A 54 -1.741 -9.310 5.341 1.00 0.00 H new ATOM 0 HA VAL A 54 0.279 -9.522 3.240 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.092 -7.671 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.188 -7.242 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.002 -6.812 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.167 -8.340 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.796 -8.944 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.511 -10.132 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.856 -9.938 2.492 1.00 0.00 H new ATOM 819 N PRO A 55 1.385 -7.443 4.382 1.00 0.00 N ATOM 820 CA PRO A 55 1.965 -6.224 4.944 1.00 0.00 C ATOM 821 C PRO A 55 1.540 -5.000 4.117 1.00 0.00 C ATOM 822 O PRO A 55 1.746 -4.952 2.899 1.00 0.00 O ATOM 823 CB PRO A 55 3.482 -6.435 4.932 1.00 0.00 C ATOM 824 CG PRO A 55 3.712 -7.425 3.795 1.00 0.00 C ATOM 825 CD PRO A 55 2.425 -8.249 3.746 1.00 0.00 C ATOM 0 HA PRO A 55 1.619 -6.033 5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.013 -5.499 4.759 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.837 -6.831 5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.892 -6.911 2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.581 -8.055 3.986 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.156 -8.485 2.717 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.553 -9.197 4.268 1.00 0.00 H new ATOM 833 N LEU A 56 0.962 -4.006 4.801 1.00 0.00 N ATOM 834 CA LEU A 56 0.503 -2.728 4.251 1.00 0.00 C ATOM 835 C LEU A 56 1.310 -1.569 4.852 1.00 0.00 C ATOM 836 O LEU A 56 1.569 -1.540 6.058 1.00 0.00 O ATOM 837 CB LEU A 56 -1.003 -2.540 4.525 1.00 0.00 C ATOM 838 CG LEU A 56 -1.910 -2.911 3.336 1.00 0.00 C ATOM 839 CD1 LEU A 56 -1.906 -4.406 3.013 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.354 -2.517 3.638 1.00 0.00 C ATOM 0 H LEU A 56 0.794 -4.076 5.805 1.00 0.00 H new ATOM 0 HA LEU A 56 0.660 -2.733 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.283 -3.148 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.185 -1.500 4.796 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.509 -2.370 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.565 -4.597 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.893 -4.721 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.257 -4.966 3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.988 -2.783 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.696 -3.044 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.410 -1.442 3.809 1.00 0.00 H new ATOM 852 N ALA A 57 1.680 -0.598 4.019 1.00 0.00 N ATOM 853 CA ALA A 57 2.552 0.517 4.404 1.00 0.00 C ATOM 854 C ALA A 57 2.187 1.842 3.715 1.00 0.00 C ATOM 855 O ALA A 57 1.505 1.848 2.690 1.00 0.00 O ATOM 856 CB ALA A 57 3.997 0.138 4.077 1.00 0.00 C ATOM 0 H ALA A 57 1.380 -0.560 3.045 1.00 0.00 H new ATOM 0 HA ALA A 57 2.421 0.686 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.660 0.957 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.273 -0.758 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.090 -0.055 3.008 1.00 0.00 H new ATOM 862 N LYS A 58 2.687 2.961 4.244 1.00 0.00 N ATOM 863 CA LYS A 58 2.482 4.319 3.720 1.00 0.00 C ATOM 864 C LYS A 58 3.776 5.135 3.679 1.00 0.00 C ATOM 865 O LYS A 58 4.666 4.944 4.510 1.00 0.00 O ATOM 866 CB LYS A 58 1.376 5.036 4.522 1.00 0.00 C ATOM 867 CG LYS A 58 1.741 5.315 5.991 1.00 0.00 C ATOM 868 CD LYS A 58 0.567 5.932 6.754 1.00 0.00 C ATOM 869 CE LYS A 58 0.963 6.156 8.222 1.00 0.00 C ATOM 870 NZ LYS A 58 -0.147 6.759 9.017 1.00 0.00 N ATOM 0 H LYS A 58 3.269 2.949 5.082 1.00 0.00 H new ATOM 0 HA LYS A 58 2.155 4.229 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.142 5.981 4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.471 4.429 4.493 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.042 4.386 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.597 5.988 6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.281 6.879 6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.301 5.275 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.253 5.205 8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.836 6.808 8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.163 6.893 10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.407 7.679 8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.972 6.126 8.997 1.00 0.00 H new ATOM 884 N VAL A 59 3.848 6.060 2.719 1.00 0.00 N ATOM 885 CA VAL A 59 4.977 6.964 2.433 1.00 0.00 C ATOM 886 C VAL A 59 4.418 8.329 1.985 1.00 0.00 C ATOM 887 O VAL A 59 3.343 8.395 1.384 1.00 0.00 O ATOM 888 CB VAL A 59 5.884 6.368 1.323 1.00 0.00 C ATOM 889 CG1 VAL A 59 7.129 7.231 1.050 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.397 4.959 1.660 1.00 0.00 C ATOM 0 H VAL A 59 3.071 6.212 2.076 1.00 0.00 H new ATOM 0 HA VAL A 59 5.580 7.088 3.333 1.00 0.00 H new ATOM 0 HB VAL A 59 5.237 6.336 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.728 6.768 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.819 8.226 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.723 7.311 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.025 4.596 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.980 4.995 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.550 4.286 1.793 1.00 0.00 H new ATOM 900 N ASP A 60 5.144 9.423 2.243 1.00 0.00 N ATOM 901 CA ASP A 60 4.733 10.782 1.860 1.00 0.00 C ATOM 902 C ASP A 60 5.640 11.355 0.759 1.00 0.00 C ATOM 903 O ASP A 60 6.853 11.466 0.938 1.00 0.00 O ATOM 904 CB ASP A 60 4.706 11.693 3.095 1.00 0.00 C ATOM 905 CG ASP A 60 3.511 11.379 4.013 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.377 11.800 3.685 1.00 0.00 O ATOM 907 OD2 ASP A 60 3.709 10.742 5.075 1.00 0.00 O ATOM 0 H ASP A 60 6.041 9.391 2.727 1.00 0.00 H new ATOM 0 HA ASP A 60 3.725 10.732 1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.634 11.575 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.656 12.734 2.777 1.00 0.00 H new ATOM 912 N CYS A 61 5.053 11.742 -0.379 1.00 0.00 N ATOM 913 CA CYS A 61 5.748 12.328 -1.528 1.00 0.00 C ATOM 914 C CYS A 61 6.429 13.678 -1.225 1.00 0.00 C ATOM 915 O CYS A 61 7.512 13.946 -1.745 1.00 0.00 O ATOM 916 CB CYS A 61 4.731 12.488 -2.668 1.00 0.00 C ATOM 917 SG CYS A 61 5.422 12.999 -4.263 1.00 0.00 S ATOM 0 H CYS A 61 4.048 11.652 -0.529 1.00 0.00 H new ATOM 0 HA CYS A 61 6.557 11.653 -1.806 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.211 11.539 -2.804 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.983 13.220 -2.364 1.00 0.00 H new ATOM 922 N THR A 62 5.858 14.517 -0.349 1.00 0.00 N ATOM 923 CA THR A 62 6.517 15.770 0.103 1.00 0.00 C ATOM 924 C THR A 62 7.820 15.504 0.871 1.00 0.00 C ATOM 925 O THR A 62 8.714 16.351 0.901 1.00 0.00 O ATOM 926 CB THR A 62 5.574 16.635 0.957 1.00 0.00 C ATOM 927 OG1 THR A 62 6.019 17.975 0.996 1.00 0.00 O ATOM 928 CG2 THR A 62 5.405 16.165 2.408 1.00 0.00 C ATOM 0 H THR A 62 4.940 14.358 0.066 1.00 0.00 H new ATOM 0 HA THR A 62 6.768 16.319 -0.805 1.00 0.00 H new ATOM 0 HB THR A 62 4.607 16.540 0.463 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.753 18.384 1.846 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.723 16.836 2.931 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.998 15.154 2.418 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.374 16.171 2.908 1.00 0.00 H new ATOM 936 N ALA A 63 7.916 14.327 1.502 1.00 0.00 N ATOM 937 CA ALA A 63 9.049 13.912 2.327 1.00 0.00 C ATOM 938 C ALA A 63 10.001 12.923 1.617 1.00 0.00 C ATOM 939 O ALA A 63 11.135 12.721 2.066 1.00 0.00 O ATOM 940 CB ALA A 63 8.472 13.329 3.625 1.00 0.00 C ATOM 0 H ALA A 63 7.184 13.619 1.449 1.00 0.00 H new ATOM 0 HA ALA A 63 9.678 14.777 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.287 13.005 4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.883 14.091 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.835 12.476 3.389 1.00 0.00 H new ATOM 946 N ASN A 64 9.559 12.317 0.505 1.00 0.00 N ATOM 947 CA ASN A 64 10.293 11.306 -0.276 1.00 0.00 C ATOM 948 C ASN A 64 10.039 11.482 -1.782 1.00 0.00 C ATOM 949 O ASN A 64 9.526 10.620 -2.498 1.00 0.00 O ATOM 950 CB ASN A 64 9.925 9.891 0.148 1.00 0.00 C ATOM 951 CG ASN A 64 9.987 9.617 1.641 1.00 0.00 C ATOM 952 OD1 ASN A 64 10.958 9.098 2.169 1.00 0.00 O ATOM 953 ND2 ASN A 64 8.927 9.921 2.358 1.00 0.00 N ATOM 0 H ASN A 64 8.643 12.525 0.108 1.00 0.00 H new ATOM 0 HA ASN A 64 11.354 11.457 -0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.915 9.677 -0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.592 9.194 -0.359 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.914 9.723 3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.118 10.354 1.913 1.00 0.00 H new ATOM 960 N THR A 65 10.351 12.675 -2.244 1.00 0.00 N ATOM 961 CA THR A 65 9.975 13.191 -3.573 1.00 0.00 C ATOM 962 C THR A 65 10.714 12.471 -4.700 1.00 0.00 C ATOM 963 O THR A 65 10.099 12.116 -5.708 1.00 0.00 O ATOM 964 CB THR A 65 10.195 14.708 -3.676 1.00 0.00 C ATOM 965 OG1 THR A 65 9.749 15.354 -2.500 1.00 0.00 O ATOM 966 CG2 THR A 65 9.426 15.330 -4.839 1.00 0.00 C ATOM 0 H THR A 65 10.891 13.346 -1.698 1.00 0.00 H new ATOM 0 HA THR A 65 8.910 12.990 -3.690 1.00 0.00 H new ATOM 0 HB THR A 65 11.266 14.845 -3.828 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.878 14.990 -2.237 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.615 16.403 -4.868 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.754 14.878 -5.775 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.359 15.153 -4.705 1.00 0.00 H new ATOM 974 N ASN A 66 12.000 12.166 -4.505 1.00 0.00 N ATOM 975 CA ASN A 66 12.795 11.396 -5.464 1.00 0.00 C ATOM 976 C ASN A 66 12.260 9.964 -5.627 1.00 0.00 C ATOM 977 O ASN A 66 12.093 9.494 -6.752 1.00 0.00 O ATOM 978 CB ASN A 66 14.267 11.417 -5.011 1.00 0.00 C ATOM 979 CG ASN A 66 14.915 12.790 -5.144 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.723 13.516 -6.116 1.00 0.00 O ATOM 981 ND2 ASN A 66 15.701 13.192 -4.171 1.00 0.00 N ATOM 0 H ASN A 66 12.520 12.448 -3.674 1.00 0.00 H new ATOM 0 HA ASN A 66 12.719 11.855 -6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.326 11.094 -3.972 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.833 10.696 -5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.151 14.106 -4.223 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.861 12.590 -3.363 1.00 0.00 H new ATOM 988 N THR A 67 11.887 9.321 -4.515 1.00 0.00 N ATOM 989 CA THR A 67 11.222 8.004 -4.503 1.00 0.00 C ATOM 990 C THR A 67 9.882 8.080 -5.231 1.00 0.00 C ATOM 991 O THR A 67 9.621 7.304 -6.142 1.00 0.00 O ATOM 992 CB THR A 67 10.980 7.528 -3.054 1.00 0.00 C ATOM 993 OG1 THR A 67 12.063 7.872 -2.223 1.00 0.00 O ATOM 994 CG2 THR A 67 10.763 6.020 -2.957 1.00 0.00 C ATOM 0 H THR A 67 12.039 9.703 -3.581 1.00 0.00 H new ATOM 0 HA THR A 67 11.875 7.294 -5.010 1.00 0.00 H new ATOM 0 HB THR A 67 10.072 8.032 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.743 7.168 -2.263 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.598 5.742 -1.916 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.893 5.739 -3.550 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.643 5.501 -3.336 1.00 0.00 H new ATOM 1002 N CYS A 68 9.073 9.083 -4.894 1.00 0.00 N ATOM 1003 CA CYS A 68 7.736 9.323 -5.443 1.00 0.00 C ATOM 1004 C CYS A 68 7.760 9.474 -6.979 1.00 0.00 C ATOM 1005 O CYS A 68 6.964 8.851 -7.687 1.00 0.00 O ATOM 1006 CB CYS A 68 7.198 10.571 -4.724 1.00 0.00 C ATOM 1007 SG CYS A 68 5.628 11.255 -5.295 1.00 0.00 S ATOM 0 H CYS A 68 9.341 9.782 -4.201 1.00 0.00 H new ATOM 0 HA CYS A 68 7.077 8.473 -5.269 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.094 10.330 -3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.953 11.354 -4.800 1.00 0.00 H new ATOM 1012 N ASN A 69 8.712 10.248 -7.516 1.00 0.00 N ATOM 1013 CA ASN A 69 8.843 10.473 -8.965 1.00 0.00 C ATOM 1014 C ASN A 69 9.458 9.270 -9.700 1.00 0.00 C ATOM 1015 O ASN A 69 9.032 8.956 -10.817 1.00 0.00 O ATOM 1016 CB ASN A 69 9.649 11.758 -9.222 1.00 0.00 C ATOM 1017 CG ASN A 69 8.808 12.999 -8.987 1.00 0.00 C ATOM 1018 OD1 ASN A 69 8.445 13.727 -9.905 1.00 0.00 O ATOM 1019 ND2 ASN A 69 8.446 13.246 -7.751 1.00 0.00 N ATOM 0 H ASN A 69 9.414 10.737 -6.960 1.00 0.00 H new ATOM 0 HA ASN A 69 7.839 10.593 -9.373 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.521 11.779 -8.568 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.020 11.757 -10.247 1.00 0.00 H new ATOM 0 HD21 ASN A 69 7.856 14.052 -7.544 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.755 12.633 -6.997 1.00 0.00 H new ATOM 1026 N LYS A 70 10.399 8.555 -9.062 1.00 0.00 N ATOM 1027 CA LYS A 70 10.931 7.271 -9.554 1.00 0.00 C ATOM 1028 C LYS A 70 9.851 6.178 -9.588 1.00 0.00 C ATOM 1029 O LYS A 70 9.907 5.276 -10.430 1.00 0.00 O ATOM 1030 CB LYS A 70 12.139 6.873 -8.686 1.00 0.00 C ATOM 1031 CG LYS A 70 12.873 5.626 -9.207 1.00 0.00 C ATOM 1032 CD LYS A 70 14.149 5.371 -8.399 1.00 0.00 C ATOM 1033 CE LYS A 70 14.875 4.142 -8.963 1.00 0.00 C ATOM 1034 NZ LYS A 70 16.141 3.870 -8.225 1.00 0.00 N ATOM 0 H LYS A 70 10.817 8.854 -8.181 1.00 0.00 H new ATOM 0 HA LYS A 70 11.260 7.387 -10.587 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.839 7.708 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.801 6.688 -7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.217 4.758 -9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.124 5.759 -10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.801 6.244 -8.443 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.902 5.211 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.222 3.272 -8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.095 4.300 -10.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.607 3.033 -8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.773 4.692 -8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.928 3.695 -7.222 1.00 0.00 H new ATOM 1048 N TYR A 71 8.852 6.270 -8.705 1.00 0.00 N ATOM 1049 CA TYR A 71 7.810 5.237 -8.524 1.00 0.00 C ATOM 1050 C TYR A 71 6.590 5.446 -9.431 1.00 0.00 C ATOM 1051 O TYR A 71 5.729 4.567 -9.539 1.00 0.00 O ATOM 1052 CB TYR A 71 7.396 5.169 -7.041 1.00 0.00 C ATOM 1053 CG TYR A 71 8.290 4.320 -6.146 1.00 0.00 C ATOM 1054 CD1 TYR A 71 9.681 4.236 -6.370 1.00 0.00 C ATOM 1055 CD2 TYR A 71 7.727 3.619 -5.065 1.00 0.00 C ATOM 1056 CE1 TYR A 71 10.493 3.455 -5.523 1.00 0.00 C ATOM 1057 CE2 TYR A 71 8.534 2.840 -4.210 1.00 0.00 C ATOM 1058 CZ TYR A 71 9.924 2.758 -4.438 1.00 0.00 C ATOM 1059 OH TYR A 71 10.713 2.032 -3.610 1.00 0.00 O ATOM 0 H TYR A 71 8.737 7.071 -8.085 1.00 0.00 H new ATOM 0 HA TYR A 71 8.243 4.283 -8.824 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.371 6.183 -6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.380 4.779 -6.984 1.00 0.00 H new ATOM 0 HD1 TYR A 71 10.126 4.773 -7.195 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.663 3.678 -4.887 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.555 3.390 -5.706 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.089 2.307 -3.383 1.00 0.00 H new ATOM 0 HH TYR A 71 10.155 1.444 -3.059 1.00 0.00 H new ATOM 1069 N GLY A 72 6.515 6.601 -10.089 1.00 0.00 N ATOM 1070 CA GLY A 72 5.442 6.952 -11.026 1.00 0.00 C ATOM 1071 C GLY A 72 4.197 7.540 -10.350 1.00 0.00 C ATOM 1072 O GLY A 72 3.112 7.531 -10.934 1.00 0.00 O ATOM 0 H GLY A 72 7.213 7.338 -9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.825 7.672 -11.749 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.154 6.061 -11.584 1.00 0.00 H new ATOM 1076 N VAL A 73 4.345 8.055 -9.123 1.00 0.00 N ATOM 1077 CA VAL A 73 3.307 8.742 -8.328 1.00 0.00 C ATOM 1078 C VAL A 73 3.134 10.192 -8.833 1.00 0.00 C ATOM 1079 O VAL A 73 3.334 11.183 -8.129 1.00 0.00 O ATOM 1080 CB VAL A 73 3.644 8.657 -6.824 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.532 9.198 -5.908 1.00 0.00 C ATOM 1082 CG2 VAL A 73 3.940 7.222 -6.357 1.00 0.00 C ATOM 0 H VAL A 73 5.236 8.004 -8.628 1.00 0.00 H new ATOM 0 HA VAL A 73 2.346 8.245 -8.458 1.00 0.00 H new ATOM 0 HB VAL A 73 4.532 9.282 -6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.841 9.105 -4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.348 10.247 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.618 8.626 -6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.170 7.226 -5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.068 6.593 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.792 6.828 -6.911 1.00 0.00 H new ATOM 1092 N SER A 74 2.821 10.327 -10.118 1.00 0.00 N ATOM 1093 CA SER A 74 2.521 11.600 -10.799 1.00 0.00 C ATOM 1094 C SER A 74 1.222 12.297 -10.334 1.00 0.00 C ATOM 1095 O SER A 74 0.974 13.447 -10.714 1.00 0.00 O ATOM 1096 CB SER A 74 2.467 11.368 -12.310 1.00 0.00 C ATOM 1097 OG SER A 74 1.464 10.425 -12.653 1.00 0.00 O ATOM 0 H SER A 74 2.765 9.525 -10.746 1.00 0.00 H new ATOM 0 HA SER A 74 3.330 12.279 -10.528 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.270 12.312 -12.818 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.437 11.014 -12.660 1.00 0.00 H new ATOM 0 HG SER A 74 1.452 10.299 -13.625 1.00 0.00 H new ATOM 1103 N GLY A 75 0.386 11.627 -9.527 1.00 0.00 N ATOM 1104 CA GLY A 75 -0.941 12.103 -9.118 1.00 0.00 C ATOM 1105 C GLY A 75 -1.543 11.263 -7.981 1.00 0.00 C ATOM 1106 O GLY A 75 -2.493 10.508 -8.203 1.00 0.00 O ATOM 0 H GLY A 75 0.621 10.717 -9.132 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.868 13.142 -8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.612 12.080 -9.977 1.00 0.00 H new ATOM 1110 N TYR A 76 -0.961 11.357 -6.780 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.444 10.680 -5.565 1.00 0.00 C ATOM 1112 C TYR A 76 -2.928 10.991 -5.218 1.00 0.00 C ATOM 1113 O TYR A 76 -3.439 12.046 -5.615 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.505 10.980 -4.380 1.00 0.00 C ATOM 1115 CG TYR A 76 0.018 12.397 -4.284 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -0.814 13.440 -3.826 1.00 0.00 C ATOM 1117 CD2 TYR A 76 1.347 12.672 -4.663 1.00 0.00 C ATOM 1118 CE1 TYR A 76 -0.330 14.762 -3.777 1.00 0.00 C ATOM 1119 CE2 TYR A 76 1.829 13.990 -4.619 1.00 0.00 C ATOM 1120 CZ TYR A 76 0.998 15.038 -4.176 1.00 0.00 C ATOM 1121 OH TYR A 76 1.492 16.301 -4.141 1.00 0.00 O ATOM 0 H TYR A 76 -0.124 11.917 -6.619 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.423 9.610 -5.774 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.034 10.747 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.348 10.303 -4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.825 13.224 -3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.994 11.870 -4.987 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.971 15.562 -3.436 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.842 14.202 -4.926 1.00 0.00 H new ATOM 0 HH TYR A 76 2.422 16.297 -4.450 1.00 0.00 H new ATOM 1131 N PRO A 77 -3.623 10.127 -4.440 1.00 0.00 N ATOM 1132 CA PRO A 77 -3.146 8.875 -3.847 1.00 0.00 C ATOM 1133 C PRO A 77 -2.814 7.794 -4.887 1.00 0.00 C ATOM 1134 O PRO A 77 -3.520 7.634 -5.887 1.00 0.00 O ATOM 1135 CB PRO A 77 -4.254 8.402 -2.899 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.513 9.010 -3.504 1.00 0.00 C ATOM 1137 CD PRO A 77 -5.016 10.337 -4.077 1.00 0.00 C ATOM 0 HA PRO A 77 -2.206 9.053 -3.324 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.312 7.314 -2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.088 8.751 -1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.938 8.371 -4.278 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.289 9.160 -2.753 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.605 10.630 -4.946 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.110 11.137 -3.343 1.00 0.00 H new ATOM 1145 N THR A 78 -1.751 7.026 -4.629 1.00 0.00 N ATOM 1146 CA THR A 78 -1.292 5.936 -5.507 1.00 0.00 C ATOM 1147 C THR A 78 -0.866 4.745 -4.647 1.00 0.00 C ATOM 1148 O THR A 78 0.059 4.863 -3.844 1.00 0.00 O ATOM 1149 CB THR A 78 -0.112 6.377 -6.393 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.428 7.543 -7.127 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.290 5.317 -7.418 1.00 0.00 C ATOM 0 H THR A 78 -1.175 7.142 -3.795 1.00 0.00 H new ATOM 0 HA THR A 78 -2.117 5.657 -6.163 1.00 0.00 H new ATOM 0 HB THR A 78 0.709 6.552 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.340 7.800 -7.679 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.126 5.685 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.586 4.404 -6.901 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.555 5.105 -8.073 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.537 3.603 -4.814 1.00 0.00 N ATOM 1160 CA LEU A 79 -1.137 2.345 -4.184 1.00 0.00 C ATOM 1161 C LEU A 79 -0.304 1.504 -5.170 1.00 0.00 C ATOM 1162 O LEU A 79 -0.653 1.395 -6.348 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.377 1.570 -3.704 1.00 0.00 C ATOM 1164 CG LEU A 79 -3.109 2.166 -2.486 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -4.133 3.243 -2.870 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -3.887 1.063 -1.765 1.00 0.00 C ATOM 0 H LEU A 79 -2.374 3.526 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.519 2.562 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.083 1.503 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.074 0.552 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.338 2.613 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.615 3.624 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.626 4.060 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.886 2.811 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.404 1.486 -0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.616 0.626 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.196 0.290 -1.429 1.00 0.00 H new ATOM 1178 N LYS A 80 0.788 0.894 -4.691 1.00 0.00 N ATOM 1179 CA LYS A 80 1.724 0.076 -5.488 1.00 0.00 C ATOM 1180 C LYS A 80 1.997 -1.283 -4.838 1.00 0.00 C ATOM 1181 O LYS A 80 2.027 -1.407 -3.614 1.00 0.00 O ATOM 1182 CB LYS A 80 3.042 0.836 -5.694 1.00 0.00 C ATOM 1183 CG LYS A 80 2.890 2.087 -6.576 1.00 0.00 C ATOM 1184 CD LYS A 80 4.208 2.863 -6.710 1.00 0.00 C ATOM 1185 CE LYS A 80 5.345 2.056 -7.354 1.00 0.00 C ATOM 1186 NZ LYS A 80 5.137 1.842 -8.807 1.00 0.00 N ATOM 0 H LYS A 80 1.056 0.955 -3.709 1.00 0.00 H new ATOM 0 HA LYS A 80 1.255 -0.112 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.439 1.131 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.773 0.166 -6.148 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.541 1.792 -7.566 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.127 2.739 -6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.031 3.760 -7.304 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.526 3.193 -5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.290 2.577 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.428 1.090 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.962 1.352 -9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.286 1.263 -8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.017 2.761 -9.279 1.00 0.00 H new ATOM 1200 N ILE A 81 2.240 -2.284 -5.684 1.00 0.00 N ATOM 1201 CA ILE A 81 2.436 -3.696 -5.315 1.00 0.00 C ATOM 1202 C ILE A 81 3.883 -4.099 -5.602 1.00 0.00 C ATOM 1203 O ILE A 81 4.429 -3.803 -6.669 1.00 0.00 O ATOM 1204 CB ILE A 81 1.463 -4.594 -6.109 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.008 -4.322 -5.677 1.00 0.00 C ATOM 1206 CG2 ILE A 81 1.784 -6.095 -5.908 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -1.021 -4.953 -6.620 1.00 0.00 C ATOM 0 H ILE A 81 2.310 -2.132 -6.690 1.00 0.00 H new ATOM 0 HA ILE A 81 2.232 -3.823 -4.252 1.00 0.00 H new ATOM 0 HB ILE A 81 1.584 -4.352 -7.165 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.145 -4.709 -4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.158 -3.246 -5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.080 -6.698 -6.481 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.799 -6.299 -6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.700 -6.347 -4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.026 -4.728 -6.265 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.891 -4.548 -7.624 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.878 -6.033 -6.644 1.00 0.00 H new ATOM 1219 N PHE A 82 4.451 -4.869 -4.678 1.00 0.00 N ATOM 1220 CA PHE A 82 5.797 -5.424 -4.763 1.00 0.00 C ATOM 1221 C PHE A 82 5.757 -6.928 -4.475 1.00 0.00 C ATOM 1222 O PHE A 82 5.826 -7.373 -3.328 1.00 0.00 O ATOM 1223 CB PHE A 82 6.735 -4.668 -3.810 1.00 0.00 C ATOM 1224 CG PHE A 82 6.943 -3.209 -4.189 1.00 0.00 C ATOM 1225 CD1 PHE A 82 5.973 -2.237 -3.878 1.00 0.00 C ATOM 1226 CD2 PHE A 82 8.093 -2.838 -4.913 1.00 0.00 C ATOM 1227 CE1 PHE A 82 6.146 -0.910 -4.315 1.00 0.00 C ATOM 1228 CE2 PHE A 82 8.279 -1.503 -5.322 1.00 0.00 C ATOM 1229 CZ PHE A 82 7.295 -0.541 -5.034 1.00 0.00 C ATOM 0 H PHE A 82 3.969 -5.133 -3.819 1.00 0.00 H new ATOM 0 HA PHE A 82 6.191 -5.297 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.330 -4.718 -2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.702 -5.171 -3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 82 5.098 -2.509 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.837 -3.582 -5.156 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.390 -0.170 -4.096 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.174 -1.219 -5.855 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.422 0.479 -5.365 1.00 0.00 H new ATOM 1239 N ARG A 83 5.585 -7.725 -5.536 1.00 0.00 N ATOM 1240 CA ARG A 83 5.558 -9.202 -5.496 1.00 0.00 C ATOM 1241 C ARG A 83 6.902 -9.722 -4.984 1.00 0.00 C ATOM 1242 O ARG A 83 7.946 -9.464 -5.584 1.00 0.00 O ATOM 1243 CB ARG A 83 5.193 -9.763 -6.884 1.00 0.00 C ATOM 1244 CG ARG A 83 4.893 -11.270 -6.814 1.00 0.00 C ATOM 1245 CD ARG A 83 4.439 -11.828 -8.170 1.00 0.00 C ATOM 1246 NE ARG A 83 5.523 -11.809 -9.172 1.00 0.00 N ATOM 1247 CZ ARG A 83 6.459 -12.723 -9.362 1.00 0.00 C ATOM 1248 NH1 ARG A 83 6.553 -13.802 -8.633 1.00 0.00 N ATOM 1249 NH2 ARG A 83 7.337 -12.569 -10.312 1.00 0.00 N ATOM 0 H ARG A 83 5.456 -7.354 -6.477 1.00 0.00 H new ATOM 0 HA ARG A 83 4.789 -9.546 -4.805 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.324 -9.234 -7.276 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.014 -9.585 -7.578 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.785 -11.802 -6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.118 -11.451 -6.069 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.085 -12.851 -8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.596 -11.243 -8.538 1.00 0.00 H new ATOM 0 HE ARG A 83 5.553 -10.997 -9.789 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.886 -13.968 -7.879 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.293 -14.479 -8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.302 -11.743 -10.909 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.059 -13.274 -10.458 1.00 0.00 H new ATOM 1263 N ASP A 84 6.866 -10.410 -3.845 1.00 0.00 N ATOM 1264 CA ASP A 84 8.017 -10.809 -3.022 1.00 0.00 C ATOM 1265 C ASP A 84 9.154 -9.755 -2.957 1.00 0.00 C ATOM 1266 O ASP A 84 10.340 -10.071 -3.095 1.00 0.00 O ATOM 1267 CB ASP A 84 8.471 -12.223 -3.416 1.00 0.00 C ATOM 1268 CG ASP A 84 9.435 -12.833 -2.381 1.00 0.00 C ATOM 1269 OD1 ASP A 84 9.227 -12.636 -1.156 1.00 0.00 O ATOM 1270 OD2 ASP A 84 10.389 -13.547 -2.787 1.00 0.00 O ATOM 0 H ASP A 84 5.983 -10.725 -3.444 1.00 0.00 H new ATOM 0 HA ASP A 84 7.688 -10.850 -1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.598 -12.867 -3.521 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.960 -12.188 -4.389 1.00 0.00 H new ATOM 1275 N GLY A 85 8.784 -8.479 -2.784 1.00 0.00 N ATOM 1276 CA GLY A 85 9.736 -7.376 -2.614 1.00 0.00 C ATOM 1277 C GLY A 85 10.305 -6.787 -3.915 1.00 0.00 C ATOM 1278 O GLY A 85 11.362 -6.152 -3.880 1.00 0.00 O ATOM 0 H GLY A 85 7.808 -8.182 -2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.245 -6.577 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.566 -7.727 -2.001 1.00 0.00 H new ATOM 1282 N GLU A 86 9.642 -6.968 -5.057 1.00 0.00 N ATOM 1283 CA GLU A 86 10.054 -6.440 -6.367 1.00 0.00 C ATOM 1284 C GLU A 86 8.829 -5.880 -7.102 1.00 0.00 C ATOM 1285 O GLU A 86 7.759 -6.494 -7.090 1.00 0.00 O ATOM 1286 CB GLU A 86 10.719 -7.533 -7.220 1.00 0.00 C ATOM 1287 CG GLU A 86 12.049 -8.041 -6.646 1.00 0.00 C ATOM 1288 CD GLU A 86 12.740 -9.007 -7.624 1.00 0.00 C ATOM 1289 OE1 GLU A 86 12.493 -10.235 -7.545 1.00 0.00 O ATOM 1290 OE2 GLU A 86 13.551 -8.553 -8.469 1.00 0.00 O ATOM 0 H GLU A 86 8.775 -7.503 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 86 10.782 -5.645 -6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.032 -8.373 -7.318 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.892 -7.143 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.706 -7.196 -6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.870 -8.546 -5.697 1.00 0.00 H new ATOM 1297 N GLU A 87 8.954 -4.702 -7.723 1.00 0.00 N ATOM 1298 CA GLU A 87 7.838 -3.961 -8.323 1.00 0.00 C ATOM 1299 C GLU A 87 7.017 -4.808 -9.317 1.00 0.00 C ATOM 1300 O GLU A 87 7.494 -5.148 -10.405 1.00 0.00 O ATOM 1301 CB GLU A 87 8.366 -2.676 -8.987 1.00 0.00 C ATOM 1302 CG GLU A 87 7.242 -1.823 -9.579 1.00 0.00 C ATOM 1303 CD GLU A 87 7.774 -0.537 -10.233 1.00 0.00 C ATOM 1304 OE1 GLU A 87 8.529 -0.615 -11.235 1.00 0.00 O ATOM 1305 OE2 GLU A 87 7.407 0.574 -9.773 1.00 0.00 O ATOM 0 H GLU A 87 9.851 -4.227 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 87 7.150 -3.697 -7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.915 -2.089 -8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.072 -2.940 -9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.696 -2.407 -10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.533 -1.563 -8.793 1.00 0.00 H new ATOM 1312 N ALA A 88 5.766 -5.115 -8.956 1.00 0.00 N ATOM 1313 CA ALA A 88 4.790 -5.703 -9.876 1.00 0.00 C ATOM 1314 C ALA A 88 4.207 -4.602 -10.791 1.00 0.00 C ATOM 1315 O ALA A 88 4.069 -4.795 -12.002 1.00 0.00 O ATOM 1316 CB ALA A 88 3.712 -6.410 -9.054 1.00 0.00 C ATOM 0 H ALA A 88 5.403 -4.962 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 88 5.261 -6.441 -10.526 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.976 -6.854 -9.724 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.170 -7.192 -8.449 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.220 -5.688 -8.402 1.00 0.00 H new ATOM 1322 N GLY A 89 3.911 -3.436 -10.200 1.00 0.00 N ATOM 1323 CA GLY A 89 3.584 -2.203 -10.928 1.00 0.00 C ATOM 1324 C GLY A 89 2.751 -1.211 -10.122 1.00 0.00 C ATOM 1325 O GLY A 89 3.269 -0.231 -9.581 1.00 0.00 O ATOM 0 H GLY A 89 3.892 -3.322 -9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.510 -1.718 -11.236 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.042 -2.463 -11.837 1.00 0.00 H new ATOM 1329 N ALA A 90 1.459 -1.498 -10.021 1.00 0.00 N ATOM 1330 CA ALA A 90 0.436 -0.657 -9.398 1.00 0.00 C ATOM 1331 C ALA A 90 -0.773 -1.493 -8.924 1.00 0.00 C ATOM 1332 O ALA A 90 -1.040 -2.580 -9.450 1.00 0.00 O ATOM 1333 CB ALA A 90 -0.001 0.397 -10.422 1.00 0.00 C ATOM 0 H ALA A 90 1.073 -2.368 -10.389 1.00 0.00 H new ATOM 0 HA ALA A 90 0.851 -0.175 -8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.765 1.038 -9.981 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.858 1.002 -10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.408 -0.099 -11.303 1.00 0.00 H new ATOM 1339 N TYR A 91 -1.507 -0.976 -7.941 1.00 0.00 N ATOM 1340 CA TYR A 91 -2.745 -1.575 -7.422 1.00 0.00 C ATOM 1341 C TYR A 91 -3.900 -1.570 -8.452 1.00 0.00 C ATOM 1342 O TYR A 91 -3.898 -0.805 -9.423 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.104 -0.831 -6.133 1.00 0.00 C ATOM 1344 CG TYR A 91 -4.408 -1.249 -5.489 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -4.596 -2.574 -5.049 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -5.452 -0.312 -5.376 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -5.853 -2.974 -4.556 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.700 -0.703 -4.866 1.00 0.00 C ATOM 1349 CZ TYR A 91 -6.913 -2.044 -4.477 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.128 -2.431 -4.015 1.00 0.00 O ATOM 0 H TYR A 91 -1.255 -0.108 -7.469 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.582 -2.632 -7.214 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.299 -0.976 -5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.150 0.236 -6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.780 -3.280 -5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.292 0.711 -5.683 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.007 -3.994 -4.238 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.496 0.021 -4.771 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.669 -1.639 -3.814 1.00 0.00 H new ATOM 1360 N ASP A 92 -4.898 -2.438 -8.244 1.00 0.00 N ATOM 1361 CA ASP A 92 -6.001 -2.698 -9.184 1.00 0.00 C ATOM 1362 C ASP A 92 -6.913 -1.483 -9.451 1.00 0.00 C ATOM 1363 O ASP A 92 -7.315 -1.265 -10.600 1.00 0.00 O ATOM 1364 CB ASP A 92 -6.837 -3.872 -8.643 1.00 0.00 C ATOM 1365 CG ASP A 92 -7.929 -4.299 -9.640 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -7.587 -4.882 -10.696 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -9.130 -4.059 -9.373 1.00 0.00 O ATOM 0 H ASP A 92 -4.964 -2.996 -7.393 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.547 -2.936 -10.146 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.183 -4.719 -8.434 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.299 -3.585 -7.698 1.00 0.00 H new ATOM 1372 N GLY A 93 -7.225 -0.679 -8.424 1.00 0.00 N ATOM 1373 CA GLY A 93 -8.045 0.539 -8.568 1.00 0.00 C ATOM 1374 C GLY A 93 -8.902 0.953 -7.353 1.00 0.00 C ATOM 1375 O GLY A 93 -8.793 2.108 -6.936 1.00 0.00 O ATOM 0 H GLY A 93 -6.917 -0.853 -7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.381 1.368 -8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.710 0.401 -9.421 1.00 0.00 H new ATOM 1379 N PRO A 94 -9.750 0.070 -6.774 1.00 0.00 N ATOM 1380 CA PRO A 94 -10.700 0.443 -5.718 1.00 0.00 C ATOM 1381 C PRO A 94 -10.013 0.647 -4.359 1.00 0.00 C ATOM 1382 O PRO A 94 -9.797 -0.308 -3.608 1.00 0.00 O ATOM 1383 CB PRO A 94 -11.757 -0.671 -5.698 1.00 0.00 C ATOM 1384 CG PRO A 94 -11.002 -1.893 -6.213 1.00 0.00 C ATOM 1385 CD PRO A 94 -9.986 -1.306 -7.193 1.00 0.00 C ATOM 0 HA PRO A 94 -11.163 1.409 -5.922 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.147 -0.835 -4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.608 -0.428 -6.335 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.511 -2.431 -5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.671 -2.599 -6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -9.059 -1.879 -7.180 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.368 -1.340 -8.213 1.00 0.00 H new ATOM 1393 N ARG A 95 -9.614 1.893 -4.062 1.00 0.00 N ATOM 1394 CA ARG A 95 -8.909 2.317 -2.836 1.00 0.00 C ATOM 1395 C ARG A 95 -9.830 2.408 -1.601 1.00 0.00 C ATOM 1396 O ARG A 95 -9.941 3.446 -0.944 1.00 0.00 O ATOM 1397 CB ARG A 95 -8.063 3.584 -3.107 1.00 0.00 C ATOM 1398 CG ARG A 95 -8.842 4.805 -3.626 1.00 0.00 C ATOM 1399 CD ARG A 95 -7.900 6.019 -3.733 1.00 0.00 C ATOM 1400 NE ARG A 95 -8.563 7.172 -4.375 1.00 0.00 N ATOM 1401 CZ ARG A 95 -9.333 8.088 -3.807 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -9.656 8.049 -2.543 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -9.808 9.072 -4.510 1.00 0.00 N ATOM 0 H ARG A 95 -9.781 2.672 -4.699 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.206 1.530 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.556 3.865 -2.184 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.289 3.334 -3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.276 4.583 -4.601 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.669 5.033 -2.953 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.559 6.304 -2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.015 5.743 -4.306 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.409 7.276 -5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.312 7.292 -1.952 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.252 8.776 -2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.588 9.141 -5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.401 9.775 -4.068 1.00 0.00 H new ATOM 1417 N THR A 96 -10.498 1.298 -1.300 1.00 0.00 N ATOM 1418 CA THR A 96 -11.376 1.094 -0.135 1.00 0.00 C ATOM 1419 C THR A 96 -11.003 -0.209 0.571 1.00 0.00 C ATOM 1420 O THR A 96 -10.537 -1.146 -0.076 1.00 0.00 O ATOM 1421 CB THR A 96 -12.865 1.044 -0.535 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.089 0.073 -1.538 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.352 2.389 -1.078 1.00 0.00 C ATOM 0 H THR A 96 -10.443 0.467 -1.890 1.00 0.00 H new ATOM 0 HA THR A 96 -11.234 1.943 0.534 1.00 0.00 H new ATOM 0 HB THR A 96 -13.415 0.791 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.040 0.059 -1.773 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.405 2.312 -1.348 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.229 3.156 -0.314 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.770 2.658 -1.959 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.214 -0.297 1.887 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.868 -1.451 2.724 1.00 0.00 C ATOM 1433 C ALA A 97 -11.307 -2.801 2.126 1.00 0.00 C ATOM 1434 O ALA A 97 -10.517 -3.737 2.002 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.494 -1.255 4.112 1.00 0.00 C ATOM 0 H ALA A 97 -11.645 0.459 2.418 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.781 -1.495 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.246 -2.106 4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.105 -0.341 4.561 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.577 -1.179 4.015 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.571 -2.879 1.704 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.167 -4.080 1.102 1.00 0.00 C ATOM 1443 C ASP A 98 -12.570 -4.418 -0.270 1.00 0.00 C ATOM 1444 O ASP A 98 -12.436 -5.589 -0.630 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.674 -3.863 0.949 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.446 -5.188 1.041 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.462 -5.782 2.149 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -16.047 -5.624 0.033 1.00 0.00 O ATOM 0 H ASP A 98 -13.223 -2.097 1.771 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.951 -4.918 1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.025 -3.182 1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.879 -3.387 -0.010 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.160 -3.383 -1.003 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.434 -3.496 -2.269 1.00 0.00 C ATOM 1455 C GLY A 99 -10.061 -4.151 -2.089 1.00 0.00 C ATOM 1456 O GLY A 99 -9.746 -5.107 -2.799 1.00 0.00 O ATOM 0 H GLY A 99 -12.328 -2.416 -0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.025 -4.081 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.308 -2.505 -2.704 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.280 -3.704 -1.094 1.00 0.00 N ATOM 1461 CA ILE A 100 -7.946 -4.272 -0.818 1.00 0.00 C ATOM 1462 C ILE A 100 -8.058 -5.759 -0.440 1.00 0.00 C ATOM 1463 O ILE A 100 -7.331 -6.611 -0.949 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.195 -3.520 0.307 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.326 -1.982 0.345 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.710 -3.917 0.243 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -7.024 -1.224 -0.954 1.00 0.00 C ATOM 0 H ILE A 100 -9.548 -2.948 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.371 -4.160 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.685 -3.833 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.343 -1.736 0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.659 -1.604 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.160 -3.398 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.615 -4.994 0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.301 -3.641 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.154 -0.154 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.997 -1.422 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.707 -1.556 -1.736 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.008 -6.082 0.449 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.310 -7.454 0.883 1.00 0.00 C ATOM 1481 C VAL A 101 -9.780 -8.326 -0.285 1.00 0.00 C ATOM 1482 O VAL A 101 -9.270 -9.425 -0.472 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.343 -7.432 2.027 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -10.765 -8.831 2.485 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -9.763 -6.709 3.248 1.00 0.00 C ATOM 0 H VAL A 101 -9.600 -5.382 0.896 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.391 -7.904 1.259 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.216 -6.916 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.493 -8.746 3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.212 -9.368 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.891 -9.376 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.501 -6.699 4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.866 -7.228 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.508 -5.684 2.977 1.00 0.00 H new ATOM 1495 N SER A 102 -10.697 -7.827 -1.114 1.00 0.00 N ATOM 1496 CA SER A 102 -11.176 -8.539 -2.317 1.00 0.00 C ATOM 1497 C SER A 102 -10.041 -8.855 -3.306 1.00 0.00 C ATOM 1498 O SER A 102 -9.985 -9.964 -3.841 1.00 0.00 O ATOM 1499 CB SER A 102 -12.263 -7.734 -3.043 1.00 0.00 C ATOM 1500 OG SER A 102 -13.387 -7.530 -2.206 1.00 0.00 O ATOM 0 H SER A 102 -11.135 -6.916 -0.977 1.00 0.00 H new ATOM 0 HA SER A 102 -11.593 -9.482 -1.962 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.859 -6.771 -3.357 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.569 -8.261 -3.947 1.00 0.00 H new ATOM 0 HG SER A 102 -13.109 -7.056 -1.395 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.109 -7.917 -3.516 1.00 0.00 N ATOM 1507 CA HIS A 103 -7.912 -8.102 -4.341 1.00 0.00 C ATOM 1508 C HIS A 103 -6.988 -9.217 -3.799 1.00 0.00 C ATOM 1509 O HIS A 103 -6.391 -9.950 -4.591 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.194 -6.747 -4.448 1.00 0.00 C ATOM 1511 CG HIS A 103 -5.796 -6.824 -4.997 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.430 -6.882 -6.324 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.646 -6.866 -4.255 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -4.085 -6.968 -6.376 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.559 -6.967 -5.134 1.00 0.00 N ATOM 0 H HIS A 103 -9.170 -6.985 -3.106 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.204 -8.440 -5.335 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.784 -6.086 -5.083 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.158 -6.290 -3.459 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.587 -6.828 -3.177 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.508 -7.029 -7.287 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.572 -7.027 -4.885 1.00 0.00 H new ATOM 1523 N LEU A 104 -6.904 -9.392 -2.472 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.195 -10.509 -1.834 1.00 0.00 C ATOM 1525 C LEU A 104 -6.956 -11.835 -1.992 1.00 0.00 C ATOM 1526 O LEU A 104 -6.374 -12.829 -2.426 1.00 0.00 O ATOM 1527 CB LEU A 104 -5.917 -10.142 -0.356 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.153 -11.160 0.510 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.036 -12.287 1.055 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -3.919 -11.741 -0.183 1.00 0.00 C ATOM 0 H LEU A 104 -7.333 -8.752 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.240 -10.670 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.357 -9.207 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.875 -9.947 0.125 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.809 -10.573 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.430 -12.966 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.827 -11.863 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.480 -12.835 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.428 -12.451 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.222 -12.251 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.227 -10.936 -0.429 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.257 -11.880 -1.678 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.052 -13.132 -1.687 1.00 0.00 C ATOM 1544 C LYS A 105 -9.050 -13.843 -3.048 1.00 0.00 C ATOM 1545 O LYS A 105 -9.028 -15.076 -3.120 1.00 0.00 O ATOM 1546 CB LYS A 105 -10.500 -12.845 -1.255 1.00 0.00 C ATOM 1547 CG LYS A 105 -10.571 -12.483 0.234 1.00 0.00 C ATOM 1548 CD LYS A 105 -11.982 -12.109 0.707 1.00 0.00 C ATOM 1549 CE LYS A 105 -12.958 -13.292 0.623 1.00 0.00 C ATOM 1550 NZ LYS A 105 -14.302 -12.941 1.156 1.00 0.00 N ATOM 0 H LYS A 105 -8.795 -11.056 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.573 -13.805 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.905 -12.027 -1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.121 -13.719 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.211 -13.327 0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.898 -11.648 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.935 -11.752 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.360 -11.286 0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.051 -13.613 -0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.555 -14.136 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.931 -13.766 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.217 -12.659 2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.698 -12.152 0.606 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.008 -13.054 -4.126 1.00 0.00 N ATOM 1565 CA LYS A 106 -8.933 -13.500 -5.536 1.00 0.00 C ATOM 1566 C LYS A 106 -7.613 -14.189 -5.947 1.00 0.00 C ATOM 1567 O LYS A 106 -7.571 -14.798 -7.017 1.00 0.00 O ATOM 1568 CB LYS A 106 -9.228 -12.290 -6.446 1.00 0.00 C ATOM 1569 CG LYS A 106 -10.726 -11.948 -6.510 1.00 0.00 C ATOM 1570 CD LYS A 106 -11.492 -12.888 -7.464 1.00 0.00 C ATOM 1571 CE LYS A 106 -13.001 -12.599 -7.473 1.00 0.00 C ATOM 1572 NZ LYS A 106 -13.690 -13.155 -6.276 1.00 0.00 N ATOM 0 H LYS A 106 -9.026 -12.037 -4.044 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.683 -14.283 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -8.677 -11.423 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.864 -12.499 -7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.157 -12.016 -5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.849 -10.917 -6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.097 -12.779 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.323 -13.923 -7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.162 -11.522 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.444 -13.023 -8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.680 -12.835 -6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.662 -14.194 -6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.210 -12.824 -5.415 1.00 0.00 H new ATOM 1586 N GLN A 107 -6.564 -14.129 -5.120 1.00 0.00 N ATOM 1587 CA GLN A 107 -5.247 -14.737 -5.373 1.00 0.00 C ATOM 1588 C GLN A 107 -4.763 -15.688 -4.266 1.00 0.00 C ATOM 1589 O GLN A 107 -4.045 -16.655 -4.536 1.00 0.00 O ATOM 1590 CB GLN A 107 -4.220 -13.630 -5.628 1.00 0.00 C ATOM 1591 CG GLN A 107 -4.071 -12.582 -4.516 1.00 0.00 C ATOM 1592 CD GLN A 107 -3.080 -11.482 -4.887 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -1.889 -11.703 -5.069 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -3.546 -10.258 -5.023 1.00 0.00 N ATOM 0 H GLN A 107 -6.606 -13.640 -4.226 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.358 -15.367 -6.256 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.248 -14.095 -5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -4.490 -13.116 -6.551 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.044 -12.137 -4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.741 -13.072 -3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.537 -10.070 -4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.916 -9.498 -5.279 1.00 0.00 H new ATOM 1603 N ALA A 108 -5.196 -15.443 -3.029 1.00 0.00 N ATOM 1604 CA ALA A 108 -4.985 -16.293 -1.853 1.00 0.00 C ATOM 1605 C ALA A 108 -5.586 -17.720 -1.959 1.00 0.00 C ATOM 1606 O ALA A 108 -5.249 -18.591 -1.151 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.517 -15.561 -0.617 1.00 0.00 C ATOM 0 H ALA A 108 -5.731 -14.603 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.911 -16.462 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.367 -16.182 0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.982 -14.619 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.581 -15.361 -0.743 1.00 0.00 H new ATOM 1613 N GLY A 109 -6.442 -17.978 -2.955 1.00 0.00 N ATOM 1614 CA GLY A 109 -6.963 -19.308 -3.305 1.00 0.00 C ATOM 1615 C GLY A 109 -7.193 -19.496 -4.818 1.00 0.00 C ATOM 1616 O GLY A 109 -7.163 -18.512 -5.568 1.00 0.00 O ATOM 0 H GLY A 109 -6.804 -17.242 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.265 -20.068 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.903 -19.472 -2.779 1.00 0.00 H new ATOM 1620 N PRO A 110 -7.401 -20.743 -5.284 1.00 0.00 N ATOM 1621 CA PRO A 110 -7.451 -21.079 -6.712 1.00 0.00 C ATOM 1622 C PRO A 110 -8.772 -20.698 -7.410 1.00 0.00 C ATOM 1623 O PRO A 110 -8.801 -20.589 -8.641 1.00 0.00 O ATOM 1624 CB PRO A 110 -7.233 -22.596 -6.760 1.00 0.00 C ATOM 1625 CG PRO A 110 -7.826 -23.083 -5.435 1.00 0.00 C ATOM 1626 CD PRO A 110 -7.471 -21.955 -4.472 1.00 0.00 C ATOM 0 HA PRO A 110 -6.696 -20.510 -7.254 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.736 -23.047 -7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.176 -22.847 -6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.904 -23.232 -5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.393 -24.033 -5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.224 -21.858 -3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.520 -22.149 -3.977 1.00 0.00 H new ATOM 1634 N ALA A 111 -9.860 -20.520 -6.649 1.00 0.00 N ATOM 1635 CA ALA A 111 -11.211 -20.243 -7.145 1.00 0.00 C ATOM 1636 C ALA A 111 -12.067 -19.461 -6.120 1.00 0.00 C ATOM 1637 O ALA A 111 -11.679 -19.311 -4.956 1.00 0.00 O ATOM 1638 CB ALA A 111 -11.867 -21.592 -7.495 1.00 0.00 C ATOM 0 H ALA A 111 -9.819 -20.567 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.146 -19.605 -8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -12.877 -21.420 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.278 -22.095 -8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.912 -22.217 -6.603 1.00 0.00 H new ATOM 1644 N SER A 112 -13.248 -19.009 -6.556 1.00 0.00 N ATOM 1645 CA SER A 112 -14.262 -18.312 -5.729 1.00 0.00 C ATOM 1646 C SER A 112 -15.513 -19.168 -5.468 1.00 0.00 C ATOM 1647 O SER A 112 -16.530 -18.654 -4.988 1.00 0.00 O ATOM 1648 CB SER A 112 -14.656 -16.987 -6.395 1.00 0.00 C ATOM 1649 OG SER A 112 -13.529 -16.134 -6.557 1.00 0.00 O ATOM 0 H SER A 112 -13.542 -19.118 -7.526 1.00 0.00 H new ATOM 0 HA SER A 112 -13.806 -18.119 -4.758 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.107 -17.186 -7.367 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.411 -16.484 -5.791 1.00 0.00 H new ATOM 0 HG SER A 112 -13.571 -15.699 -7.434 1.00 0.00 H new ATOM 1655 N VAL A 113 -15.441 -20.472 -5.779 1.00 0.00 N ATOM 1656 CA VAL A 113 -16.525 -21.478 -5.695 1.00 0.00 C ATOM 1657 C VAL A 113 -16.065 -22.817 -5.105 1.00 0.00 C ATOM 1658 O VAL A 113 -14.868 -23.170 -5.226 1.00 0.00 O ATOM 1659 CB VAL A 113 -17.195 -21.719 -7.061 1.00 0.00 C ATOM 1660 CG1 VAL A 113 -17.950 -20.469 -7.530 1.00 0.00 C ATOM 1661 CG2 VAL A 113 -16.218 -22.144 -8.168 1.00 0.00 C ATOM 1662 OXT VAL A 113 -16.913 -23.500 -4.489 1.00 0.00 O ATOM 0 H VAL A 113 -14.571 -20.883 -6.118 1.00 0.00 H new ATOM 0 HA VAL A 113 -17.256 -21.049 -5.010 1.00 0.00 H new ATOM 0 HB VAL A 113 -17.884 -22.547 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -18.414 -20.665 -8.497 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -18.721 -20.215 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -17.252 -19.637 -7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -16.765 -22.294 -9.098 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -15.468 -21.366 -8.310 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -15.726 -23.074 -7.882 1.00 0.00 H new TER 1672 VAL A 113