USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 829 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 59 SER OG : rot 75:sc= 1.7 USER MOD Set 1.2: A 94 HIS : +bothHN:sc= -1.41 K(o=1.3,f=-5.4!) USER MOD Set 1.3: A 105 TYR OH : rot 180:sc= 1 USER MOD Set 2.1: A 52 HIS : no HE2:sc= 0.366 K(o=-1,f=-8.5!) USER MOD Set 2.2: A 77 ASN : amide:sc= -1.37 K(o=-1,f=-5.8!) USER MOD Set 3.1: A 39 ASN : amide:sc= 0.305 K(o=3.7,f=1.5) USER MOD Set 3.2: A 70 LYS NZ :NH3+ 178:sc= 1.19 (180deg=-0.0118) USER MOD Set 3.3: A 75 TYR OH : rot -106:sc= 2.22 USER MOD Set 4.1: A 23 THR OG1 : rot -27:sc= 1.26 USER MOD Set 4.2: A 74 HIS : no HD1:sc= -0.0533 X(o=1.2,f=1.2) USER MOD Single : A 2 TYR OH : rot 15:sc= 0.529 USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= -0.169 (180deg=-0.792) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0235 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= 1.2 (180deg=1.03) USER MOD Single : A 26 THR OG1 : rot 38:sc= 0.459 USER MOD Single : A 27 TYR OH : rot 30:sc=-0.000653 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0333 USER MOD Single : A 34 ASN : amide:sc= -0.0373 K(o=-0.037,f=-1.8!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 150:sc= 0.235 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -141:sc= 1.24 (180deg=0.513) USER MOD Single : A 60 SER OG : rot 106:sc= 1.22 USER MOD Single : A 61 SER OG : rot -30:sc= 0.0485 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00593 USER MOD Single : A 71 THR OG1 : rot 42:sc= 0.0493 USER MOD Single : A 72 CYS SG : rot 0:sc= -2.07! USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -3.82! C(o=-3.8!,f=-5.2!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 1.73 K(o=1.7,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 20 N TYR A 2 -8.171 -7.883 9.346 1.00 0.00 N ATOM 21 CA TYR A 2 -7.424 -7.060 8.415 1.00 0.00 C ATOM 22 C TYR A 2 -8.067 -7.080 7.037 1.00 0.00 C ATOM 23 O TYR A 2 -9.114 -7.696 6.834 1.00 0.00 O ATOM 24 CB TYR A 2 -5.980 -7.548 8.312 1.00 0.00 C ATOM 25 CG TYR A 2 -5.120 -7.196 9.503 1.00 0.00 C ATOM 26 CD1 TYR A 2 -5.227 -7.891 10.701 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.193 -6.166 9.424 1.00 0.00 C ATOM 28 CE1 TYR A 2 -4.436 -7.568 11.784 1.00 0.00 C ATOM 29 CE2 TYR A 2 -3.399 -5.835 10.503 1.00 0.00 C ATOM 30 CZ TYR A 2 -3.523 -6.538 11.681 1.00 0.00 C ATOM 31 OH TYR A 2 -2.729 -6.215 12.759 1.00 0.00 O ATOM 0 HA TYR A 2 -7.432 -6.037 8.792 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.982 -8.631 8.187 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.529 -7.125 7.415 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -5.941 -8.697 10.786 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.091 -5.614 8.502 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -4.531 -8.119 12.708 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.684 -5.029 10.424 1.00 0.00 H new ATOM 0 HH TYR A 2 -2.761 -6.940 13.418 1.00 0.00 H new ATOM 41 N LEU A 3 -7.425 -6.408 6.095 1.00 0.00 N ATOM 42 CA LEU A 3 -7.895 -6.375 4.721 1.00 0.00 C ATOM 43 C LEU A 3 -7.090 -7.349 3.871 1.00 0.00 C ATOM 44 O LEU A 3 -5.946 -7.665 4.192 1.00 0.00 O ATOM 45 CB LEU A 3 -7.776 -4.963 4.143 1.00 0.00 C ATOM 46 CG LEU A 3 -8.635 -3.898 4.828 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.414 -2.543 4.176 1.00 0.00 C ATOM 48 CD2 LEU A 3 -10.106 -4.282 4.779 1.00 0.00 C ATOM 0 H LEU A 3 -6.571 -5.875 6.260 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.945 -6.669 4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.732 -4.653 4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.044 -4.997 3.087 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.335 -3.832 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.031 -1.795 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.364 -2.264 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.688 -2.597 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.700 -3.512 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.423 -4.376 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.251 -5.234 5.290 1.00 0.00 H new ATOM 60 N ARG A 4 -7.691 -7.818 2.793 1.00 0.00 N ATOM 61 CA ARG A 4 -7.024 -8.746 1.893 1.00 0.00 C ATOM 62 C ARG A 4 -6.151 -7.972 0.906 1.00 0.00 C ATOM 63 O ARG A 4 -6.359 -6.773 0.713 1.00 0.00 O ATOM 64 CB ARG A 4 -8.061 -9.597 1.153 1.00 0.00 C ATOM 65 CG ARG A 4 -8.989 -10.363 2.085 1.00 0.00 C ATOM 66 CD ARG A 4 -9.988 -11.208 1.312 1.00 0.00 C ATOM 67 NE ARG A 4 -9.342 -12.310 0.599 1.00 0.00 N ATOM 68 CZ ARG A 4 -9.253 -12.385 -0.727 1.00 0.00 C ATOM 69 NH1 ARG A 4 -9.770 -11.430 -1.485 1.00 0.00 N ATOM 70 NH2 ARG A 4 -8.639 -13.414 -1.296 1.00 0.00 N ATOM 0 H ARG A 4 -8.642 -7.572 2.517 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.385 -9.413 2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.657 -8.951 0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.544 -10.304 0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.399 -11.004 2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.524 -9.661 2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.732 -11.609 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.520 -10.578 0.599 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.936 -13.066 1.151 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.238 -10.633 -1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.700 -11.491 -2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.234 -14.150 -0.717 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.572 -13.469 -2.312 1.00 0.00 H new ATOM 84 N PRO A 5 -5.157 -8.635 0.280 1.00 0.00 N ATOM 85 CA PRO A 5 -4.233 -7.987 -0.660 1.00 0.00 C ATOM 86 C PRO A 5 -4.968 -7.232 -1.769 1.00 0.00 C ATOM 87 O PRO A 5 -4.708 -6.050 -2.008 1.00 0.00 O ATOM 88 CB PRO A 5 -3.417 -9.156 -1.244 1.00 0.00 C ATOM 89 CG PRO A 5 -4.166 -10.388 -0.862 1.00 0.00 C ATOM 90 CD PRO A 5 -4.853 -10.066 0.430 1.00 0.00 C ATOM 0 HA PRO A 5 -3.616 -7.236 -0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.327 -9.070 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.405 -9.170 -0.840 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.888 -10.660 -1.631 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.490 -11.235 -0.745 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.756 -10.660 0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.211 -10.257 1.290 1.00 0.00 H new ATOM 98 N ASP A 6 -5.888 -7.917 -2.440 1.00 0.00 N ATOM 99 CA ASP A 6 -6.690 -7.295 -3.491 1.00 0.00 C ATOM 100 C ASP A 6 -7.521 -6.131 -2.949 1.00 0.00 C ATOM 101 O ASP A 6 -7.612 -5.085 -3.586 1.00 0.00 O ATOM 102 CB ASP A 6 -7.590 -8.321 -4.203 1.00 0.00 C ATOM 103 CG ASP A 6 -8.282 -9.296 -3.266 1.00 0.00 C ATOM 104 OD1 ASP A 6 -8.645 -8.908 -2.139 1.00 0.00 O ATOM 105 OD2 ASP A 6 -8.448 -10.474 -3.659 1.00 0.00 O ATOM 0 H ASP A 6 -6.098 -8.902 -2.276 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.992 -6.896 -4.227 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.347 -7.787 -4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.987 -8.884 -4.915 1.00 0.00 H new ATOM 110 N GLU A 7 -8.116 -6.319 -1.774 1.00 0.00 N ATOM 111 CA GLU A 7 -8.891 -5.267 -1.112 1.00 0.00 C ATOM 112 C GLU A 7 -8.088 -3.974 -0.992 1.00 0.00 C ATOM 113 O GLU A 7 -8.610 -2.884 -1.236 1.00 0.00 O ATOM 114 CB GLU A 7 -9.336 -5.725 0.279 1.00 0.00 C ATOM 115 CG GLU A 7 -10.448 -6.757 0.260 1.00 0.00 C ATOM 116 CD GLU A 7 -11.741 -6.195 -0.289 1.00 0.00 C ATOM 117 OE1 GLU A 7 -12.417 -5.430 0.432 1.00 0.00 O ATOM 118 OE2 GLU A 7 -12.090 -6.507 -1.443 1.00 0.00 O ATOM 0 H GLU A 7 -8.077 -7.196 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.769 -5.071 -1.727 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.477 -6.140 0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.669 -4.857 0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.139 -7.610 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.615 -7.127 1.272 1.00 0.00 H new ATOM 125 N VAL A 8 -6.821 -4.103 -0.617 1.00 0.00 N ATOM 126 CA VAL A 8 -5.936 -2.951 -0.512 1.00 0.00 C ATOM 127 C VAL A 8 -5.809 -2.252 -1.863 1.00 0.00 C ATOM 128 O VAL A 8 -5.942 -1.030 -1.959 1.00 0.00 O ATOM 129 CB VAL A 8 -4.535 -3.362 -0.007 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.600 -2.163 0.050 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.637 -4.023 1.358 1.00 0.00 C ATOM 0 H VAL A 8 -6.384 -4.994 -0.381 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.375 -2.264 0.211 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.118 -4.080 -0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.621 -2.482 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.499 -1.733 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.009 -1.414 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.642 -4.307 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.079 -3.325 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.263 -4.912 1.286 1.00 0.00 H new ATOM 141 N ALA A 9 -5.572 -3.040 -2.904 1.00 0.00 N ATOM 142 CA ALA A 9 -5.446 -2.516 -4.258 1.00 0.00 C ATOM 143 C ALA A 9 -6.725 -1.808 -4.700 1.00 0.00 C ATOM 144 O ALA A 9 -6.673 -0.764 -5.347 1.00 0.00 O ATOM 145 CB ALA A 9 -5.092 -3.636 -5.224 1.00 0.00 C ATOM 0 H ALA A 9 -5.462 -4.052 -2.835 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.642 -1.780 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.001 -3.232 -6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.145 -4.087 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.876 -4.393 -5.206 1.00 0.00 H new ATOM 151 N ARG A 10 -7.871 -2.374 -4.330 1.00 0.00 N ATOM 152 CA ARG A 10 -9.170 -1.799 -4.689 1.00 0.00 C ATOM 153 C ARG A 10 -9.323 -0.388 -4.118 1.00 0.00 C ATOM 154 O ARG A 10 -9.895 0.493 -4.760 1.00 0.00 O ATOM 155 CB ARG A 10 -10.312 -2.691 -4.188 1.00 0.00 C ATOM 156 CG ARG A 10 -10.216 -4.127 -4.676 1.00 0.00 C ATOM 157 CD ARG A 10 -11.293 -5.009 -4.064 1.00 0.00 C ATOM 158 NE ARG A 10 -12.530 -5.005 -4.844 1.00 0.00 N ATOM 159 CZ ARG A 10 -13.481 -5.930 -4.727 1.00 0.00 C ATOM 160 NH1 ARG A 10 -13.434 -6.819 -3.740 1.00 0.00 N ATOM 161 NH2 ARG A 10 -14.511 -5.926 -5.565 1.00 0.00 N ATOM 0 H ARG A 10 -7.929 -3.232 -3.781 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.218 -1.739 -5.776 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.316 -2.685 -3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.263 -2.268 -4.513 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.304 -4.148 -5.762 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.234 -4.529 -4.428 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.920 -6.030 -3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.505 -4.668 -3.051 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.673 -4.251 -5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.667 -6.795 -3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.165 -7.525 -3.655 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.572 -5.216 -6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.241 -6.633 -5.479 1.00 0.00 H new ATOM 175 N VAL A 11 -8.803 -0.176 -2.913 1.00 0.00 N ATOM 176 CA VAL A 11 -8.851 1.140 -2.289 1.00 0.00 C ATOM 177 C VAL A 11 -7.866 2.089 -2.966 1.00 0.00 C ATOM 178 O VAL A 11 -8.132 3.282 -3.099 1.00 0.00 O ATOM 179 CB VAL A 11 -8.568 1.064 -0.774 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.519 2.454 -0.152 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.630 0.223 -0.091 1.00 0.00 C ATOM 0 H VAL A 11 -8.346 -0.895 -2.352 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.862 1.528 -2.418 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.593 0.598 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.318 2.368 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.728 3.036 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.476 2.954 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.423 0.174 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.610 0.674 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.621 -0.784 -0.509 1.00 0.00 H new ATOM 191 N LEU A 12 -6.737 1.553 -3.411 1.00 0.00 N ATOM 192 CA LEU A 12 -5.797 2.331 -4.207 1.00 0.00 C ATOM 193 C LEU A 12 -6.479 2.813 -5.482 1.00 0.00 C ATOM 194 O LEU A 12 -6.338 3.970 -5.881 1.00 0.00 O ATOM 195 CB LEU A 12 -4.562 1.498 -4.555 1.00 0.00 C ATOM 196 CG LEU A 12 -3.702 1.078 -3.362 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.591 0.150 -3.811 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.116 2.298 -2.674 1.00 0.00 C ATOM 0 H LEU A 12 -6.451 0.590 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.475 3.192 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.886 0.601 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.942 2.068 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.336 0.547 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.988 -0.139 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.023 -0.741 -4.267 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.961 0.662 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.507 1.981 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.496 2.851 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.923 2.939 -2.320 1.00 0.00 H new ATOM 210 N GLU A 13 -7.225 1.915 -6.112 1.00 0.00 N ATOM 211 CA GLU A 13 -8.010 2.247 -7.285 1.00 0.00 C ATOM 212 C GLU A 13 -9.054 3.317 -6.967 1.00 0.00 C ATOM 213 O GLU A 13 -9.360 4.162 -7.807 1.00 0.00 O ATOM 214 CB GLU A 13 -8.668 0.989 -7.838 1.00 0.00 C ATOM 215 CG GLU A 13 -7.664 -0.084 -8.219 1.00 0.00 C ATOM 216 CD GLU A 13 -8.285 -1.214 -9.003 1.00 0.00 C ATOM 217 OE1 GLU A 13 -8.372 -1.094 -10.244 1.00 0.00 O ATOM 218 OE2 GLU A 13 -8.680 -2.227 -8.395 1.00 0.00 O ATOM 0 H GLU A 13 -7.300 0.940 -5.822 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.345 2.658 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.356 0.588 -7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.262 1.251 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.865 0.365 -8.809 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.206 -0.484 -7.314 1.00 0.00 H new ATOM 225 N LYS A 14 -9.591 3.286 -5.747 1.00 0.00 N ATOM 226 CA LYS A 14 -10.504 4.332 -5.284 1.00 0.00 C ATOM 227 C LYS A 14 -9.822 5.698 -5.328 1.00 0.00 C ATOM 228 O LYS A 14 -10.446 6.706 -5.659 1.00 0.00 O ATOM 229 CB LYS A 14 -10.990 4.061 -3.857 1.00 0.00 C ATOM 230 CG LYS A 14 -12.094 3.023 -3.747 1.00 0.00 C ATOM 231 CD LYS A 14 -12.702 3.023 -2.348 1.00 0.00 C ATOM 232 CE LYS A 14 -13.339 4.370 -2.019 1.00 0.00 C ATOM 233 NZ LYS A 14 -13.840 4.435 -0.619 1.00 0.00 N ATOM 0 H LYS A 14 -9.411 2.551 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.364 4.329 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.142 3.734 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.346 4.997 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.869 3.231 -4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.694 2.035 -3.974 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.453 2.236 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.929 2.795 -1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.608 5.163 -2.177 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.164 4.556 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.963 5.429 -0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.753 3.942 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.154 3.980 0.017 1.00 0.00 H new ATOM 247 N ALA A 15 -8.536 5.717 -5.003 1.00 0.00 N ATOM 248 CA ALA A 15 -7.757 6.948 -5.019 1.00 0.00 C ATOM 249 C ALA A 15 -7.326 7.303 -6.442 1.00 0.00 C ATOM 250 O ALA A 15 -6.747 8.362 -6.685 1.00 0.00 O ATOM 251 CB ALA A 15 -6.549 6.816 -4.105 1.00 0.00 C ATOM 0 H ALA A 15 -8.008 4.890 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.385 7.759 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.975 7.742 -4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.883 6.618 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.922 5.993 -4.447 1.00 0.00 H new ATOM 257 N GLY A 16 -7.622 6.412 -7.383 1.00 0.00 N ATOM 258 CA GLY A 16 -7.311 6.663 -8.777 1.00 0.00 C ATOM 259 C GLY A 16 -5.996 6.043 -9.199 1.00 0.00 C ATOM 260 O GLY A 16 -5.490 6.322 -10.286 1.00 0.00 O ATOM 0 H GLY A 16 -8.074 5.516 -7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.112 6.268 -9.401 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.274 7.739 -8.950 1.00 0.00 H new ATOM 264 N PHE A 17 -5.446 5.193 -8.347 1.00 0.00 N ATOM 265 CA PHE A 17 -4.156 4.572 -8.609 1.00 0.00 C ATOM 266 C PHE A 17 -4.270 3.400 -9.566 1.00 0.00 C ATOM 267 O PHE A 17 -5.346 2.836 -9.771 1.00 0.00 O ATOM 268 CB PHE A 17 -3.511 4.111 -7.306 1.00 0.00 C ATOM 269 CG PHE A 17 -2.852 5.206 -6.511 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.602 6.206 -5.912 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.475 5.224 -6.354 1.00 0.00 C ATOM 272 CE1 PHE A 17 -2.990 7.203 -5.174 1.00 0.00 C ATOM 273 CE2 PHE A 17 -0.858 6.218 -5.618 1.00 0.00 C ATOM 274 CZ PHE A 17 -1.617 7.209 -5.028 1.00 0.00 C ATOM 0 H PHE A 17 -5.875 4.916 -7.464 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.528 5.328 -9.080 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.273 3.638 -6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.767 3.348 -7.534 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.676 6.207 -6.023 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.876 4.451 -6.813 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.586 7.976 -4.712 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.216 6.219 -5.505 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.138 7.988 -4.453 1.00 0.00 H new ATOM 284 N THR A 18 -3.139 3.048 -10.156 1.00 0.00 N ATOM 285 CA THR A 18 -3.077 1.988 -11.139 1.00 0.00 C ATOM 286 C THR A 18 -1.774 1.203 -10.964 1.00 0.00 C ATOM 287 O THR A 18 -0.863 1.666 -10.276 1.00 0.00 O ATOM 288 CB THR A 18 -3.157 2.579 -12.560 1.00 0.00 C ATOM 289 OG1 THR A 18 -3.951 3.778 -12.546 1.00 0.00 O ATOM 290 CG2 THR A 18 -3.790 1.592 -13.513 1.00 0.00 C ATOM 0 H THR A 18 -2.241 3.491 -9.964 1.00 0.00 H new ATOM 0 HA THR A 18 -3.922 1.314 -10.996 1.00 0.00 H new ATOM 0 HB THR A 18 -2.143 2.803 -12.892 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.997 4.150 -13.451 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.837 2.029 -14.511 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.192 0.681 -13.543 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.798 1.353 -13.173 1.00 0.00 H new ATOM 298 N VAL A 19 -1.684 0.021 -11.558 1.00 0.00 N ATOM 299 CA VAL A 19 -0.491 -0.806 -11.410 1.00 0.00 C ATOM 300 C VAL A 19 0.578 -0.392 -12.423 1.00 0.00 C ATOM 301 O VAL A 19 0.265 0.140 -13.489 1.00 0.00 O ATOM 302 CB VAL A 19 -0.819 -2.313 -11.575 1.00 0.00 C ATOM 303 CG1 VAL A 19 -1.057 -2.673 -13.034 1.00 0.00 C ATOM 304 CG2 VAL A 19 0.286 -3.178 -10.983 1.00 0.00 C ATOM 0 H VAL A 19 -2.415 -0.385 -12.142 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.108 -0.650 -10.401 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.741 -2.510 -11.027 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.284 -3.736 -13.114 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.895 -2.093 -13.420 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.162 -2.449 -13.615 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.032 -4.230 -11.111 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.226 -2.967 -11.493 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.391 -2.957 -9.921 1.00 0.00 H new ATOM 314 N ASP A 20 1.835 -0.606 -12.064 1.00 0.00 N ATOM 315 CA ASP A 20 2.951 -0.336 -12.962 1.00 0.00 C ATOM 316 C ASP A 20 3.751 -1.604 -13.209 1.00 0.00 C ATOM 317 O ASP A 20 3.920 -2.039 -14.347 1.00 0.00 O ATOM 318 CB ASP A 20 3.872 0.736 -12.378 1.00 0.00 C ATOM 319 CG ASP A 20 5.013 1.081 -13.313 1.00 0.00 C ATOM 320 OD1 ASP A 20 4.739 1.569 -14.432 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.183 0.865 -12.944 1.00 0.00 O ATOM 0 H ASP A 20 2.110 -0.968 -11.151 1.00 0.00 H new ATOM 0 HA ASP A 20 2.541 0.024 -13.906 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.293 1.635 -12.167 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.276 0.387 -11.428 1.00 0.00 H new ATOM 326 N VAL A 21 4.237 -2.198 -12.133 1.00 0.00 N ATOM 327 CA VAL A 21 5.015 -3.417 -12.230 1.00 0.00 C ATOM 328 C VAL A 21 4.270 -4.577 -11.579 1.00 0.00 C ATOM 329 O VAL A 21 4.135 -4.654 -10.358 1.00 0.00 O ATOM 330 CB VAL A 21 6.431 -3.248 -11.614 1.00 0.00 C ATOM 331 CG1 VAL A 21 6.368 -2.742 -10.176 1.00 0.00 C ATOM 332 CG2 VAL A 21 7.209 -4.553 -11.691 1.00 0.00 C ATOM 0 H VAL A 21 4.105 -1.854 -11.182 1.00 0.00 H new ATOM 0 HA VAL A 21 5.150 -3.642 -13.288 1.00 0.00 H new ATOM 0 HB VAL A 21 6.955 -2.494 -12.202 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.379 -2.638 -9.782 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.868 -1.774 -10.153 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.812 -3.453 -9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.198 -4.413 -11.254 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.675 -5.328 -11.140 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.312 -4.854 -12.733 1.00 0.00 H new ATOM 342 N VAL A 22 3.755 -5.466 -12.405 1.00 0.00 N ATOM 343 CA VAL A 22 3.021 -6.612 -11.911 1.00 0.00 C ATOM 344 C VAL A 22 3.936 -7.827 -11.806 1.00 0.00 C ATOM 345 O VAL A 22 4.443 -8.335 -12.809 1.00 0.00 O ATOM 346 CB VAL A 22 1.788 -6.931 -12.795 1.00 0.00 C ATOM 347 CG1 VAL A 22 2.165 -7.020 -14.267 1.00 0.00 C ATOM 348 CG2 VAL A 22 1.114 -8.217 -12.337 1.00 0.00 C ATOM 0 H VAL A 22 3.832 -5.416 -13.421 1.00 0.00 H new ATOM 0 HA VAL A 22 2.653 -6.363 -10.916 1.00 0.00 H new ATOM 0 HB VAL A 22 1.081 -6.109 -12.682 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.277 -7.245 -14.857 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.586 -6.069 -14.593 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.903 -7.810 -14.407 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.251 -8.422 -12.971 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.821 -9.044 -12.408 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.786 -8.108 -11.303 1.00 0.00 H new ATOM 358 N THR A 23 4.179 -8.257 -10.579 1.00 0.00 N ATOM 359 CA THR A 23 4.953 -9.457 -10.338 1.00 0.00 C ATOM 360 C THR A 23 4.085 -10.475 -9.612 1.00 0.00 C ATOM 361 O THR A 23 3.082 -10.110 -8.992 1.00 0.00 O ATOM 362 CB THR A 23 6.225 -9.172 -9.510 1.00 0.00 C ATOM 363 OG1 THR A 23 5.876 -8.745 -8.187 1.00 0.00 O ATOM 364 CG2 THR A 23 7.079 -8.105 -10.181 1.00 0.00 C ATOM 0 H THR A 23 3.849 -7.790 -9.734 1.00 0.00 H new ATOM 0 HA THR A 23 5.273 -9.850 -11.303 1.00 0.00 H new ATOM 0 HB THR A 23 6.800 -10.096 -9.449 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.997 -8.312 -8.204 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.969 -7.921 -9.580 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.375 -8.446 -11.173 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.505 -7.183 -10.271 1.00 0.00 H new ATOM 372 N ASN A 24 4.473 -11.738 -9.672 1.00 0.00 N ATOM 373 CA ASN A 24 3.663 -12.811 -9.103 1.00 0.00 C ATOM 374 C ASN A 24 3.638 -12.746 -7.579 1.00 0.00 C ATOM 375 O ASN A 24 2.840 -13.427 -6.931 1.00 0.00 O ATOM 376 CB ASN A 24 4.189 -14.172 -9.560 1.00 0.00 C ATOM 377 CG ASN A 24 4.197 -14.315 -11.071 1.00 0.00 C ATOM 378 OD1 ASN A 24 5.187 -14.000 -11.731 1.00 0.00 O ATOM 379 ND2 ASN A 24 3.099 -14.790 -11.631 1.00 0.00 N ATOM 0 H ASN A 24 5.342 -12.049 -10.107 1.00 0.00 H new ATOM 0 HA ASN A 24 2.642 -12.681 -9.462 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.201 -14.313 -9.180 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.573 -14.960 -9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.052 -14.906 -12.643 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.298 -15.040 -11.051 1.00 0.00 H new ATOM 386 N LYS A 25 4.503 -11.919 -7.010 1.00 0.00 N ATOM 387 CA LYS A 25 4.602 -11.795 -5.564 1.00 0.00 C ATOM 388 C LYS A 25 3.938 -10.516 -5.065 1.00 0.00 C ATOM 389 O LYS A 25 3.552 -10.427 -3.899 1.00 0.00 O ATOM 390 CB LYS A 25 6.066 -11.802 -5.126 1.00 0.00 C ATOM 391 CG LYS A 25 6.835 -13.040 -5.547 1.00 0.00 C ATOM 392 CD LYS A 25 8.278 -12.959 -5.087 1.00 0.00 C ATOM 393 CE LYS A 25 9.113 -14.094 -5.647 1.00 0.00 C ATOM 394 NZ LYS A 25 10.541 -13.960 -5.266 1.00 0.00 N ATOM 0 H LYS A 25 5.147 -11.323 -7.529 1.00 0.00 H new ATOM 0 HA LYS A 25 4.083 -12.650 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.561 -10.923 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.109 -11.713 -4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.363 -13.928 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.799 -13.145 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.705 -12.006 -5.398 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.314 -12.984 -3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.726 -15.046 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.025 -14.110 -6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.128 -14.524 -5.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.823 -12.961 -5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.674 -14.301 -4.293 1.00 0.00 H new ATOM 408 N THR A 26 3.790 -9.525 -5.942 1.00 0.00 N ATOM 409 CA THR A 26 3.323 -8.212 -5.511 1.00 0.00 C ATOM 410 C THR A 26 2.974 -7.305 -6.693 1.00 0.00 C ATOM 411 O THR A 26 3.544 -7.422 -7.782 1.00 0.00 O ATOM 412 CB THR A 26 4.385 -7.522 -4.617 1.00 0.00 C ATOM 413 OG1 THR A 26 4.008 -6.174 -4.314 1.00 0.00 O ATOM 414 CG2 THR A 26 5.748 -7.530 -5.283 1.00 0.00 C ATOM 0 H THR A 26 3.984 -9.605 -6.940 1.00 0.00 H new ATOM 0 HA THR A 26 2.412 -8.373 -4.935 1.00 0.00 H new ATOM 0 HB THR A 26 4.443 -8.089 -3.688 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.039 -6.129 -4.176 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.473 -7.040 -4.634 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.059 -8.559 -5.462 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.692 -6.997 -6.232 1.00 0.00 H new ATOM 422 N TYR A 27 2.024 -6.409 -6.459 1.00 0.00 N ATOM 423 CA TYR A 27 1.625 -5.422 -7.447 1.00 0.00 C ATOM 424 C TYR A 27 2.282 -4.079 -7.155 1.00 0.00 C ATOM 425 O TYR A 27 1.951 -3.423 -6.169 1.00 0.00 O ATOM 426 CB TYR A 27 0.106 -5.238 -7.449 1.00 0.00 C ATOM 427 CG TYR A 27 -0.667 -6.386 -8.049 1.00 0.00 C ATOM 428 CD1 TYR A 27 -0.782 -6.519 -9.425 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.297 -7.325 -7.243 1.00 0.00 C ATOM 430 CE1 TYR A 27 -1.500 -7.556 -9.983 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.016 -8.367 -7.794 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.115 -8.476 -9.165 1.00 0.00 C ATOM 433 OH TYR A 27 -2.830 -9.508 -9.721 1.00 0.00 O ATOM 0 H TYR A 27 1.511 -6.348 -5.580 1.00 0.00 H new ATOM 0 HA TYR A 27 1.947 -5.784 -8.424 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.230 -5.089 -6.423 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.135 -4.328 -7.999 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.301 -5.798 -10.070 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.223 -7.239 -6.169 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -1.579 -7.646 -11.056 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.498 -9.092 -7.155 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.445 -9.741 -10.592 1.00 0.00 H new ATOM 443 N GLY A 28 3.219 -3.681 -7.999 1.00 0.00 N ATOM 444 CA GLY A 28 3.804 -2.363 -7.878 1.00 0.00 C ATOM 445 C GLY A 28 2.859 -1.306 -8.399 1.00 0.00 C ATOM 446 O GLY A 28 2.656 -1.185 -9.606 1.00 0.00 O ATOM 0 H GLY A 28 3.585 -4.246 -8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.043 -2.161 -6.834 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.742 -2.324 -8.433 1.00 0.00 H new ATOM 450 N TYR A 29 2.275 -0.554 -7.488 1.00 0.00 N ATOM 451 CA TYR A 29 1.233 0.404 -7.815 1.00 0.00 C ATOM 452 C TYR A 29 1.798 1.819 -7.907 1.00 0.00 C ATOM 453 O TYR A 29 2.782 2.144 -7.245 1.00 0.00 O ATOM 454 CB TYR A 29 0.142 0.330 -6.750 1.00 0.00 C ATOM 455 CG TYR A 29 -1.126 -0.352 -7.217 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.192 -1.735 -7.321 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.253 0.386 -7.553 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.347 -2.363 -7.748 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.411 -0.235 -7.981 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.452 -1.611 -8.077 1.00 0.00 C ATOM 461 OH TYR A 29 -4.603 -2.237 -8.500 1.00 0.00 O ATOM 0 H TYR A 29 2.509 -0.589 -6.496 1.00 0.00 H new ATOM 0 HA TYR A 29 0.812 0.156 -8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.531 -0.203 -5.882 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.101 1.341 -6.422 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.328 -2.329 -7.064 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.224 1.463 -7.479 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.382 -3.440 -7.823 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.279 0.353 -8.239 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.290 -1.565 -8.691 1.00 0.00 H new ATOM 471 N ARG A 30 1.171 2.656 -8.723 1.00 0.00 N ATOM 472 CA ARG A 30 1.641 4.021 -8.926 1.00 0.00 C ATOM 473 C ARG A 30 0.498 4.948 -9.317 1.00 0.00 C ATOM 474 O ARG A 30 -0.589 4.498 -9.694 1.00 0.00 O ATOM 475 CB ARG A 30 2.690 4.069 -10.042 1.00 0.00 C ATOM 476 CG ARG A 30 2.134 3.662 -11.400 1.00 0.00 C ATOM 477 CD ARG A 30 3.062 4.053 -12.543 1.00 0.00 C ATOM 478 NE ARG A 30 2.628 3.463 -13.811 1.00 0.00 N ATOM 479 CZ ARG A 30 1.965 4.119 -14.761 1.00 0.00 C ATOM 480 NH1 ARG A 30 1.763 5.425 -14.657 1.00 0.00 N ATOM 481 NH2 ARG A 30 1.541 3.472 -15.838 1.00 0.00 N ATOM 0 H ARG A 30 0.335 2.414 -9.255 1.00 0.00 H new ATOM 0 HA ARG A 30 2.075 4.352 -7.982 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.095 5.079 -10.109 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.519 3.410 -9.783 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.974 2.584 -11.417 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.161 4.131 -11.548 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.089 5.139 -12.636 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.077 3.727 -12.317 1.00 0.00 H new ATOM 0 HE ARG A 30 2.849 2.481 -13.978 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.116 5.933 -13.846 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.254 5.922 -15.388 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.723 2.473 -15.938 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.033 3.973 -16.567 1.00 0.00 H new ATOM 495 N ARG A 31 0.758 6.241 -9.210 1.00 0.00 N ATOM 496 CA ARG A 31 -0.074 7.256 -9.836 1.00 0.00 C ATOM 497 C ARG A 31 0.788 8.472 -10.140 1.00 0.00 C ATOM 498 O ARG A 31 0.673 9.519 -9.501 1.00 0.00 O ATOM 499 CB ARG A 31 -1.271 7.654 -8.971 1.00 0.00 C ATOM 500 CG ARG A 31 -2.288 8.499 -9.726 1.00 0.00 C ATOM 501 CD ARG A 31 -3.466 8.893 -8.853 1.00 0.00 C ATOM 502 NE ARG A 31 -3.083 9.824 -7.792 1.00 0.00 N ATOM 503 CZ ARG A 31 -3.811 10.885 -7.439 1.00 0.00 C ATOM 504 NH1 ARG A 31 -4.904 11.202 -8.121 1.00 0.00 N ATOM 505 NH2 ARG A 31 -3.429 11.653 -6.427 1.00 0.00 N ATOM 0 H ARG A 31 1.550 6.616 -8.688 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.485 6.839 -10.755 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.759 6.754 -8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.917 8.209 -8.102 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.802 9.398 -10.105 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.649 7.943 -10.591 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.238 9.349 -9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.901 7.998 -8.408 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.210 9.652 -7.294 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.190 10.634 -8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.458 12.014 -7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.575 11.434 -5.914 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.989 12.463 -6.162 1.00 0.00 H new ATOM 519 N GLY A 32 1.682 8.307 -11.097 1.00 0.00 N ATOM 520 CA GLY A 32 2.604 9.362 -11.436 1.00 0.00 C ATOM 521 C GLY A 32 3.946 9.191 -10.753 1.00 0.00 C ATOM 522 O GLY A 32 4.593 8.151 -10.887 1.00 0.00 O ATOM 0 H GLY A 32 1.785 7.455 -11.648 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.748 9.383 -12.516 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.174 10.323 -11.153 1.00 0.00 H new ATOM 526 N GLU A 33 4.352 10.202 -10.003 1.00 0.00 N ATOM 527 CA GLU A 33 5.675 10.223 -9.388 1.00 0.00 C ATOM 528 C GLU A 33 5.672 9.569 -8.006 1.00 0.00 C ATOM 529 O GLU A 33 6.617 9.724 -7.235 1.00 0.00 O ATOM 530 CB GLU A 33 6.191 11.664 -9.293 1.00 0.00 C ATOM 531 CG GLU A 33 6.685 12.243 -10.618 1.00 0.00 C ATOM 532 CD GLU A 33 5.624 12.272 -11.700 1.00 0.00 C ATOM 533 OE1 GLU A 33 4.694 13.102 -11.608 1.00 0.00 O ATOM 534 OE2 GLU A 33 5.720 11.470 -12.654 1.00 0.00 O ATOM 0 H GLU A 33 3.783 11.025 -9.803 1.00 0.00 H new ATOM 0 HA GLU A 33 6.343 9.642 -10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.393 12.299 -8.907 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.005 11.699 -8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.048 13.257 -10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.533 11.655 -10.968 1.00 0.00 H new ATOM 541 N ASN A 34 4.619 8.824 -7.701 1.00 0.00 N ATOM 542 CA ASN A 34 4.531 8.117 -6.430 1.00 0.00 C ATOM 543 C ASN A 34 4.267 6.633 -6.658 1.00 0.00 C ATOM 544 O ASN A 34 3.572 6.253 -7.604 1.00 0.00 O ATOM 545 CB ASN A 34 3.463 8.739 -5.515 1.00 0.00 C ATOM 546 CG ASN A 34 2.119 8.947 -6.190 1.00 0.00 C ATOM 547 OD1 ASN A 34 1.703 8.176 -7.052 1.00 0.00 O ATOM 548 ND2 ASN A 34 1.432 10.009 -5.803 1.00 0.00 N ATOM 0 H ASN A 34 3.815 8.693 -8.315 1.00 0.00 H new ATOM 0 HA ASN A 34 5.491 8.217 -5.923 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.326 8.097 -4.645 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.827 9.699 -5.149 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.525 10.210 -6.223 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.810 10.627 -5.084 1.00 0.00 H new ATOM 555 N TYR A 35 4.850 5.799 -5.803 1.00 0.00 N ATOM 556 CA TYR A 35 4.771 4.352 -5.965 1.00 0.00 C ATOM 557 C TYR A 35 4.526 3.664 -4.627 1.00 0.00 C ATOM 558 O TYR A 35 5.043 4.091 -3.594 1.00 0.00 O ATOM 559 CB TYR A 35 6.072 3.797 -6.558 1.00 0.00 C ATOM 560 CG TYR A 35 6.476 4.391 -7.890 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.017 3.851 -9.084 1.00 0.00 C ATOM 562 CD2 TYR A 35 7.327 5.488 -7.950 1.00 0.00 C ATOM 563 CE1 TYR A 35 6.395 4.386 -10.300 1.00 0.00 C ATOM 564 CE2 TYR A 35 7.712 6.027 -9.162 1.00 0.00 C ATOM 565 CZ TYR A 35 7.240 5.474 -10.334 1.00 0.00 C ATOM 566 OH TYR A 35 7.623 6.004 -11.545 1.00 0.00 O ATOM 0 H TYR A 35 5.384 6.102 -4.988 1.00 0.00 H new ATOM 0 HA TYR A 35 3.939 4.151 -6.640 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.878 3.964 -5.844 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.968 2.718 -6.675 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.354 2.999 -9.062 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.693 5.926 -7.034 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.030 3.954 -11.220 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.379 6.876 -9.192 1.00 0.00 H new ATOM 0 HH TYR A 35 8.219 6.767 -11.394 1.00 0.00 H new ATOM 576 N VAL A 36 3.740 2.598 -4.662 1.00 0.00 N ATOM 577 CA VAL A 36 3.556 1.718 -3.515 1.00 0.00 C ATOM 578 C VAL A 36 3.573 0.271 -3.993 1.00 0.00 C ATOM 579 O VAL A 36 3.532 0.017 -5.193 1.00 0.00 O ATOM 580 CB VAL A 36 2.241 1.988 -2.742 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.274 3.353 -2.078 1.00 0.00 C ATOM 582 CG2 VAL A 36 1.030 1.867 -3.655 1.00 0.00 C ATOM 0 H VAL A 36 3.211 2.318 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 36 4.375 1.915 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 36 2.153 1.230 -1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.340 3.519 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.108 3.397 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.398 4.124 -2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.123 2.062 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.111 2.592 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.987 0.861 -4.071 1.00 0.00 H new ATOM 592 N TYR A 37 3.640 -0.672 -3.073 1.00 0.00 N ATOM 593 CA TYR A 37 3.698 -2.078 -3.446 1.00 0.00 C ATOM 594 C TYR A 37 2.641 -2.876 -2.693 1.00 0.00 C ATOM 595 O TYR A 37 2.629 -2.903 -1.465 1.00 0.00 O ATOM 596 CB TYR A 37 5.091 -2.651 -3.164 1.00 0.00 C ATOM 597 CG TYR A 37 6.210 -1.931 -3.887 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.516 -2.228 -5.209 1.00 0.00 C ATOM 599 CD2 TYR A 37 6.964 -0.957 -3.241 1.00 0.00 C ATOM 600 CE1 TYR A 37 7.542 -1.575 -5.868 1.00 0.00 C ATOM 601 CE2 TYR A 37 7.991 -0.301 -3.894 1.00 0.00 C ATOM 602 CZ TYR A 37 8.277 -0.614 -5.206 1.00 0.00 C ATOM 603 OH TYR A 37 9.305 0.032 -5.858 1.00 0.00 O ATOM 0 H TYR A 37 3.656 -0.496 -2.069 1.00 0.00 H new ATOM 0 HA TYR A 37 3.497 -2.156 -4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.279 -2.610 -2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.105 -3.703 -3.450 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.944 -2.981 -5.731 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.744 -0.709 -2.213 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.766 -1.817 -6.896 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.567 0.453 -3.379 1.00 0.00 H new ATOM 0 HH TYR A 37 9.405 0.937 -5.495 1.00 0.00 H new ATOM 613 N VAL A 38 1.742 -3.503 -3.432 1.00 0.00 N ATOM 614 CA VAL A 38 0.725 -4.354 -2.835 1.00 0.00 C ATOM 615 C VAL A 38 1.238 -5.783 -2.751 1.00 0.00 C ATOM 616 O VAL A 38 1.372 -6.460 -3.772 1.00 0.00 O ATOM 617 CB VAL A 38 -0.586 -4.332 -3.646 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.659 -5.163 -2.961 1.00 0.00 C ATOM 619 CG2 VAL A 38 -1.063 -2.908 -3.855 1.00 0.00 C ATOM 0 H VAL A 38 1.695 -3.439 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 38 0.514 -3.969 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.388 -4.773 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.575 -5.133 -3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.319 -6.195 -2.872 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.854 -4.758 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.989 -2.915 -4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.240 -2.438 -2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.303 -2.346 -4.398 1.00 0.00 H new ATOM 629 N ASN A 39 1.547 -6.229 -1.549 1.00 0.00 N ATOM 630 CA ASN A 39 2.128 -7.546 -1.352 1.00 0.00 C ATOM 631 C ASN A 39 1.092 -8.630 -1.627 1.00 0.00 C ATOM 632 O ASN A 39 0.190 -8.864 -0.824 1.00 0.00 O ATOM 633 CB ASN A 39 2.666 -7.681 0.070 1.00 0.00 C ATOM 634 CG ASN A 39 3.893 -8.571 0.147 1.00 0.00 C ATOM 635 OD1 ASN A 39 5.019 -8.090 0.058 1.00 0.00 O ATOM 636 ND2 ASN A 39 3.690 -9.867 0.311 1.00 0.00 N ATOM 0 H ASN A 39 1.405 -5.698 -0.690 1.00 0.00 H new ATOM 0 HA ASN A 39 2.955 -7.668 -2.052 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.914 -6.692 0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.885 -8.088 0.713 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.484 -10.504 0.368 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.739 -10.229 0.381 1.00 0.00 H new ATOM 643 N ARG A 40 1.227 -9.292 -2.765 1.00 0.00 N ATOM 644 CA ARG A 40 0.267 -10.304 -3.185 1.00 0.00 C ATOM 645 C ARG A 40 0.455 -11.589 -2.384 1.00 0.00 C ATOM 646 O ARG A 40 -0.483 -12.372 -2.218 1.00 0.00 O ATOM 647 CB ARG A 40 0.406 -10.562 -4.692 1.00 0.00 C ATOM 648 CG ARG A 40 -0.439 -11.709 -5.223 1.00 0.00 C ATOM 649 CD ARG A 40 -0.421 -11.747 -6.744 1.00 0.00 C ATOM 650 NE ARG A 40 -0.934 -13.013 -7.265 1.00 0.00 N ATOM 651 CZ ARG A 40 -2.035 -13.141 -8.007 1.00 0.00 C ATOM 652 NH1 ARG A 40 -2.770 -12.079 -8.309 1.00 0.00 N ATOM 653 NH2 ARG A 40 -2.393 -14.342 -8.446 1.00 0.00 N ATOM 0 H ARG A 40 1.996 -9.146 -3.419 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.742 -9.939 -2.990 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.137 -9.652 -5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.453 -10.766 -4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.064 -12.653 -4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.465 -11.602 -4.871 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.020 -10.925 -7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.598 -11.595 -7.099 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.411 -13.861 -7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.495 -11.156 -7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.611 -12.185 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.827 -15.159 -8.215 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.234 -14.448 -9.014 1.00 0.00 H new ATOM 667 N GLU A 41 1.663 -11.787 -1.862 1.00 0.00 N ATOM 668 CA GLU A 41 1.951 -12.945 -1.018 1.00 0.00 C ATOM 669 C GLU A 41 1.302 -12.800 0.356 1.00 0.00 C ATOM 670 O GLU A 41 1.339 -13.725 1.170 1.00 0.00 O ATOM 671 CB GLU A 41 3.455 -13.128 -0.829 1.00 0.00 C ATOM 672 CG GLU A 41 4.245 -13.279 -2.116 1.00 0.00 C ATOM 673 CD GLU A 41 5.709 -13.571 -1.852 1.00 0.00 C ATOM 674 OE1 GLU A 41 6.411 -12.688 -1.319 1.00 0.00 O ATOM 675 OE2 GLU A 41 6.161 -14.693 -2.161 1.00 0.00 O ATOM 0 H GLU A 41 2.457 -11.163 -2.008 1.00 0.00 H new ATOM 0 HA GLU A 41 1.539 -13.817 -1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.845 -12.272 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.625 -14.009 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.816 -14.084 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.158 -12.366 -2.704 1.00 0.00 H new ATOM 682 N ALA A 42 0.709 -11.639 0.618 1.00 0.00 N ATOM 683 CA ALA A 42 0.122 -11.372 1.918 1.00 0.00 C ATOM 684 C ALA A 42 -1.239 -12.036 2.031 1.00 0.00 C ATOM 685 O ALA A 42 -2.258 -11.462 1.656 1.00 0.00 O ATOM 686 CB ALA A 42 0.012 -9.876 2.165 1.00 0.00 C ATOM 0 H ALA A 42 0.625 -10.874 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 42 0.776 -11.793 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.431 -9.701 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.005 -9.427 2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.617 -9.426 1.397 1.00 0.00 H new ATOM 692 N ARG A 43 -1.244 -13.264 2.515 1.00 0.00 N ATOM 693 CA ARG A 43 -2.482 -14.001 2.702 1.00 0.00 C ATOM 694 C ARG A 43 -3.014 -13.756 4.104 1.00 0.00 C ATOM 695 O ARG A 43 -4.127 -14.147 4.444 1.00 0.00 O ATOM 696 CB ARG A 43 -2.250 -15.495 2.477 1.00 0.00 C ATOM 697 CG ARG A 43 -1.456 -15.798 1.215 1.00 0.00 C ATOM 698 CD ARG A 43 -1.498 -17.273 0.858 1.00 0.00 C ATOM 699 NE ARG A 43 -2.786 -17.659 0.285 1.00 0.00 N ATOM 700 CZ ARG A 43 -3.160 -18.918 0.072 1.00 0.00 C ATOM 701 NH1 ARG A 43 -2.373 -19.921 0.437 1.00 0.00 N ATOM 702 NH2 ARG A 43 -4.327 -19.170 -0.504 1.00 0.00 N ATOM 0 H ARG A 43 -0.403 -13.774 2.787 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.217 -13.654 1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.723 -15.907 3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.214 -16.001 2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.855 -15.213 0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.420 -15.488 1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.703 -17.497 0.147 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.305 -17.868 1.751 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.439 -16.917 0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.476 -19.729 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.665 -20.884 0.271 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.935 -18.400 -0.782 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.617 -20.134 -0.669 1.00 0.00 H new ATOM 716 N MET A 44 -2.192 -13.099 4.912 1.00 0.00 N ATOM 717 CA MET A 44 -2.543 -12.790 6.287 1.00 0.00 C ATOM 718 C MET A 44 -3.129 -11.386 6.378 1.00 0.00 C ATOM 719 O MET A 44 -3.731 -11.019 7.384 1.00 0.00 O ATOM 720 CB MET A 44 -1.312 -12.905 7.196 1.00 0.00 C ATOM 721 CG MET A 44 -0.605 -14.255 7.124 1.00 0.00 C ATOM 722 SD MET A 44 0.314 -14.491 5.586 1.00 0.00 S ATOM 723 CE MET A 44 0.942 -16.155 5.817 1.00 0.00 C ATOM 0 H MET A 44 -1.269 -12.768 4.632 1.00 0.00 H new ATOM 0 HA MET A 44 -3.291 -13.509 6.621 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.603 -12.121 6.929 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.617 -12.722 8.226 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.080 -14.346 7.967 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.343 -15.051 7.226 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.532 -16.445 4.948 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.569 -16.187 6.708 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.107 -16.846 5.936 1.00 0.00 H new ATOM 733 N GLY A 45 -2.922 -10.594 5.328 1.00 0.00 N ATOM 734 CA GLY A 45 -3.496 -9.257 5.272 1.00 0.00 C ATOM 735 C GLY A 45 -2.672 -8.212 6.004 1.00 0.00 C ATOM 736 O GLY A 45 -2.611 -7.057 5.589 1.00 0.00 O ATOM 0 H GLY A 45 -2.366 -10.854 4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.602 -8.959 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.498 -9.282 5.699 1.00 0.00 H new ATOM 740 N ARG A 46 -2.033 -8.617 7.092 1.00 0.00 N ATOM 741 CA ARG A 46 -1.274 -7.694 7.928 1.00 0.00 C ATOM 742 C ARG A 46 -0.043 -7.133 7.203 1.00 0.00 C ATOM 743 O ARG A 46 0.441 -6.059 7.540 1.00 0.00 O ATOM 744 CB ARG A 46 -0.866 -8.388 9.234 1.00 0.00 C ATOM 745 CG ARG A 46 -0.002 -7.530 10.143 1.00 0.00 C ATOM 746 CD ARG A 46 0.226 -8.182 11.498 1.00 0.00 C ATOM 747 NE ARG A 46 1.300 -7.521 12.240 1.00 0.00 N ATOM 748 CZ ARG A 46 1.107 -6.611 13.197 1.00 0.00 C ATOM 749 NH1 ARG A 46 -0.120 -6.271 13.564 1.00 0.00 N ATOM 750 NH2 ARG A 46 2.151 -6.039 13.784 1.00 0.00 N ATOM 0 H ARG A 46 -2.024 -9.583 7.419 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.919 -6.846 8.157 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.766 -8.681 9.775 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.326 -9.304 8.994 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.959 -7.348 9.663 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.477 -6.559 10.284 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.695 -8.145 12.080 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.473 -9.234 11.359 1.00 0.00 H new ATOM 0 HE ARG A 46 2.261 -7.773 12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.926 -6.706 13.114 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.259 -5.575 14.296 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.098 -6.295 13.503 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.007 -5.343 14.516 1.00 0.00 H new ATOM 764 N THR A 47 0.454 -7.848 6.203 1.00 0.00 N ATOM 765 CA THR A 47 1.642 -7.413 5.474 1.00 0.00 C ATOM 766 C THR A 47 1.306 -7.015 4.036 1.00 0.00 C ATOM 767 O THR A 47 2.149 -7.110 3.146 1.00 0.00 O ATOM 768 CB THR A 47 2.705 -8.532 5.454 1.00 0.00 C ATOM 769 OG1 THR A 47 2.107 -9.768 5.034 1.00 0.00 O ATOM 770 CG2 THR A 47 3.329 -8.715 6.827 1.00 0.00 C ATOM 0 H THR A 47 0.056 -8.729 5.877 1.00 0.00 H new ATOM 0 HA THR A 47 2.037 -6.540 5.994 1.00 0.00 H new ATOM 0 HB THR A 47 3.487 -8.243 4.751 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.787 -10.473 5.022 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.074 -9.509 6.785 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.806 -7.785 7.137 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.554 -8.982 7.546 1.00 0.00 H new ATOM 778 N ALA A 48 0.082 -6.545 3.825 1.00 0.00 N ATOM 779 CA ALA A 48 -0.416 -6.279 2.478 1.00 0.00 C ATOM 780 C ALA A 48 0.168 -5.005 1.864 1.00 0.00 C ATOM 781 O ALA A 48 0.674 -5.029 0.742 1.00 0.00 O ATOM 782 CB ALA A 48 -1.934 -6.206 2.490 1.00 0.00 C ATOM 0 H ALA A 48 -0.585 -6.340 4.569 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.088 -7.108 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.297 -6.007 1.481 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.341 -7.154 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.254 -5.404 3.155 1.00 0.00 H new ATOM 788 N LEU A 49 0.097 -3.894 2.582 1.00 0.00 N ATOM 789 CA LEU A 49 0.469 -2.606 2.006 1.00 0.00 C ATOM 790 C LEU A 49 1.916 -2.242 2.313 1.00 0.00 C ATOM 791 O LEU A 49 2.263 -1.922 3.452 1.00 0.00 O ATOM 792 CB LEU A 49 -0.461 -1.505 2.517 1.00 0.00 C ATOM 793 CG LEU A 49 -0.210 -0.117 1.919 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.488 -0.114 0.425 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.059 0.929 2.622 1.00 0.00 C ATOM 0 H LEU A 49 -0.211 -3.855 3.554 1.00 0.00 H new ATOM 0 HA LEU A 49 0.368 -2.695 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.491 -1.794 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.362 -1.441 3.601 1.00 0.00 H new ATOM 0 HG LEU A 49 0.840 0.133 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.303 0.882 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.167 -0.832 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.528 -0.390 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.867 1.908 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.114 0.680 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.806 0.950 3.682 1.00 0.00 H new ATOM 807 N ILE A 50 2.757 -2.280 1.292 1.00 0.00 N ATOM 808 CA ILE A 50 4.138 -1.859 1.436 1.00 0.00 C ATOM 809 C ILE A 50 4.313 -0.464 0.847 1.00 0.00 C ATOM 810 O ILE A 50 3.876 -0.196 -0.276 1.00 0.00 O ATOM 811 CB ILE A 50 5.123 -2.817 0.731 1.00 0.00 C ATOM 812 CG1 ILE A 50 4.780 -4.287 1.015 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.548 -2.508 1.172 1.00 0.00 C ATOM 814 CD1 ILE A 50 4.825 -4.662 2.480 1.00 0.00 C ATOM 0 H ILE A 50 2.506 -2.598 0.356 1.00 0.00 H new ATOM 0 HA ILE A 50 4.363 -1.864 2.502 1.00 0.00 H new ATOM 0 HB ILE A 50 5.037 -2.662 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.783 -4.497 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.475 -4.923 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.239 -3.187 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.795 -1.480 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.631 -2.636 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.571 -5.716 2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.828 -4.487 2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.109 -4.054 3.033 1.00 0.00 H new ATOM 826 N ILE A 51 4.936 0.425 1.605 1.00 0.00 N ATOM 827 CA ILE A 51 5.189 1.782 1.136 1.00 0.00 C ATOM 828 C ILE A 51 6.689 2.039 1.053 1.00 0.00 C ATOM 829 O ILE A 51 7.491 1.272 1.596 1.00 0.00 O ATOM 830 CB ILE A 51 4.552 2.851 2.056 1.00 0.00 C ATOM 831 CG1 ILE A 51 5.293 2.922 3.394 1.00 0.00 C ATOM 832 CG2 ILE A 51 3.075 2.550 2.282 1.00 0.00 C ATOM 833 CD1 ILE A 51 4.857 4.076 4.273 1.00 0.00 C ATOM 0 H ILE A 51 5.276 0.233 2.547 1.00 0.00 H new ATOM 0 HA ILE A 51 4.732 1.864 0.150 1.00 0.00 H new ATOM 0 HB ILE A 51 4.637 3.820 1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.139 1.988 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.363 3.007 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.644 3.312 2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.553 2.551 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.971 1.572 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.426 4.060 5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.037 5.017 3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.794 3.982 4.496 1.00 0.00 H new ATOM 845 N HIS A 52 7.054 3.117 0.376 1.00 0.00 N ATOM 846 CA HIS A 52 8.448 3.530 0.262 1.00 0.00 C ATOM 847 C HIS A 52 8.962 4.018 1.620 1.00 0.00 C ATOM 848 O HIS A 52 8.191 4.566 2.411 1.00 0.00 O ATOM 849 CB HIS A 52 8.566 4.651 -0.791 1.00 0.00 C ATOM 850 CG HIS A 52 9.963 5.165 -1.008 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.608 5.984 -0.112 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.841 4.963 -2.020 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.816 6.261 -0.552 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.989 5.658 -1.714 1.00 0.00 N ATOM 0 H HIS A 52 6.397 3.729 -0.108 1.00 0.00 H new ATOM 0 HA HIS A 52 9.054 2.680 -0.052 1.00 0.00 H new ATOM 0 HB2 HIS A 52 8.178 4.282 -1.740 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.930 5.483 -0.489 1.00 0.00 H new ATOM 0 HD1 HIS A 52 10.210 6.326 0.763 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.671 4.366 -2.904 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.545 6.878 -0.047 1.00 0.00 H new ATOM 863 N PRO A 53 10.263 3.796 1.921 1.00 0.00 N ATOM 864 CA PRO A 53 10.933 4.393 3.092 1.00 0.00 C ATOM 865 C PRO A 53 10.794 5.922 3.130 1.00 0.00 C ATOM 866 O PRO A 53 9.993 6.494 2.387 1.00 0.00 O ATOM 867 CB PRO A 53 12.397 4.001 2.900 1.00 0.00 C ATOM 868 CG PRO A 53 12.357 2.761 2.078 1.00 0.00 C ATOM 869 CD PRO A 53 11.164 2.899 1.173 1.00 0.00 C ATOM 0 HA PRO A 53 10.500 4.043 4.029 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.955 4.791 2.397 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.888 3.825 3.857 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.274 2.647 1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.267 1.877 2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.440 3.322 0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.696 1.934 0.976 1.00 0.00 H new ATOM 877 N ARG A 54 11.587 6.586 3.976 1.00 0.00 N ATOM 878 CA ARG A 54 11.452 8.033 4.218 1.00 0.00 C ATOM 879 C ARG A 54 10.176 8.329 5.012 1.00 0.00 C ATOM 880 O ARG A 54 10.201 9.018 6.031 1.00 0.00 O ATOM 881 CB ARG A 54 11.436 8.827 2.903 1.00 0.00 C ATOM 882 CG ARG A 54 11.046 10.289 3.077 1.00 0.00 C ATOM 883 CD ARG A 54 10.729 10.940 1.743 1.00 0.00 C ATOM 884 NE ARG A 54 10.367 12.353 1.877 1.00 0.00 N ATOM 885 CZ ARG A 54 10.162 13.165 0.837 1.00 0.00 C ATOM 886 NH1 ARG A 54 10.334 12.716 -0.402 1.00 0.00 N ATOM 887 NH2 ARG A 54 9.799 14.427 1.034 1.00 0.00 N ATOM 0 H ARG A 54 12.335 6.144 4.510 1.00 0.00 H new ATOM 0 HA ARG A 54 12.320 8.347 4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.424 8.775 2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.739 8.354 2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.179 10.360 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.859 10.829 3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.594 10.851 1.085 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.909 10.402 1.266 1.00 0.00 H new ATOM 0 HE ARG A 54 10.266 12.738 2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.623 11.750 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.177 13.337 -1.196 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.676 14.780 1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.644 15.043 0.236 1.00 0.00 H new ATOM 901 N LEU A 55 9.067 7.774 4.539 1.00 0.00 N ATOM 902 CA LEU A 55 7.757 7.991 5.131 1.00 0.00 C ATOM 903 C LEU A 55 7.559 7.174 6.397 1.00 0.00 C ATOM 904 O LEU A 55 6.442 7.058 6.887 1.00 0.00 O ATOM 905 CB LEU A 55 6.669 7.627 4.120 1.00 0.00 C ATOM 906 CG LEU A 55 6.478 8.632 2.992 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.448 8.128 1.993 1.00 0.00 C ATOM 908 CD2 LEU A 55 6.058 9.965 3.575 1.00 0.00 C ATOM 0 H LEU A 55 9.054 7.156 3.727 1.00 0.00 H new ATOM 0 HA LEU A 55 7.689 9.045 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.908 6.656 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.724 7.515 4.651 1.00 0.00 H new ATOM 0 HG LEU A 55 7.420 8.758 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.326 8.861 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.785 7.182 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.494 7.980 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.920 10.687 2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.121 9.845 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.830 10.324 4.256 1.00 0.00 H new ATOM 920 N LYS A 56 8.637 6.620 6.930 1.00 0.00 N ATOM 921 CA LYS A 56 8.553 5.800 8.129 1.00 0.00 C ATOM 922 C LYS A 56 7.992 6.619 9.284 1.00 0.00 C ATOM 923 O LYS A 56 7.074 6.188 9.980 1.00 0.00 O ATOM 924 CB LYS A 56 9.930 5.245 8.499 1.00 0.00 C ATOM 925 CG LYS A 56 9.862 4.054 9.440 1.00 0.00 C ATOM 926 CD LYS A 56 11.245 3.521 9.773 1.00 0.00 C ATOM 927 CE LYS A 56 11.169 2.151 10.422 1.00 0.00 C ATOM 928 NZ LYS A 56 12.508 1.655 10.838 1.00 0.00 N ATOM 0 H LYS A 56 9.579 6.723 6.552 1.00 0.00 H new ATOM 0 HA LYS A 56 7.885 4.962 7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.453 4.951 7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.520 6.035 8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.353 4.345 10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.267 3.263 8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.842 3.462 8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.752 4.215 10.443 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.514 2.198 11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.722 1.444 9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.575 0.635 10.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.246 2.156 10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.641 1.827 11.855 1.00 0.00 H new ATOM 942 N ASP A 57 8.533 7.817 9.452 1.00 0.00 N ATOM 943 CA ASP A 57 8.095 8.720 10.507 1.00 0.00 C ATOM 944 C ASP A 57 6.669 9.200 10.259 1.00 0.00 C ATOM 945 O ASP A 57 5.831 9.188 11.161 1.00 0.00 O ATOM 946 CB ASP A 57 9.045 9.914 10.602 1.00 0.00 C ATOM 947 CG ASP A 57 8.581 10.947 11.609 1.00 0.00 C ATOM 948 OD1 ASP A 57 8.247 10.566 12.749 1.00 0.00 O ATOM 949 OD2 ASP A 57 8.567 12.148 11.271 1.00 0.00 O ATOM 0 H ASP A 57 9.281 8.188 8.867 1.00 0.00 H new ATOM 0 HA ASP A 57 8.110 8.176 11.451 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.039 9.562 10.879 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.134 10.382 9.622 1.00 0.00 H new ATOM 954 N ARG A 58 6.398 9.599 9.022 1.00 0.00 N ATOM 955 CA ARG A 58 5.080 10.091 8.637 1.00 0.00 C ATOM 956 C ARG A 58 4.013 9.013 8.823 1.00 0.00 C ATOM 957 O ARG A 58 2.976 9.249 9.444 1.00 0.00 O ATOM 958 CB ARG A 58 5.108 10.556 7.176 1.00 0.00 C ATOM 959 CG ARG A 58 3.757 11.009 6.645 1.00 0.00 C ATOM 960 CD ARG A 58 3.241 12.217 7.403 1.00 0.00 C ATOM 961 NE ARG A 58 1.882 12.573 7.003 1.00 0.00 N ATOM 962 CZ ARG A 58 0.961 13.026 7.849 1.00 0.00 C ATOM 963 NH1 ARG A 58 1.255 13.170 9.136 1.00 0.00 N ATOM 964 NH2 ARG A 58 -0.253 13.326 7.406 1.00 0.00 N ATOM 0 H ARG A 58 7.079 9.591 8.263 1.00 0.00 H new ATOM 0 HA ARG A 58 4.826 10.932 9.282 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.818 11.377 7.080 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.477 9.741 6.553 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.844 11.252 5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.040 10.192 6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.262 12.010 8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.904 13.065 7.229 1.00 0.00 H new ATOM 0 HE ARG A 58 1.625 12.469 6.021 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.187 12.933 9.476 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.549 13.517 9.785 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.479 13.209 6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.961 13.673 8.053 1.00 0.00 H new ATOM 978 N SER A 59 4.281 7.838 8.276 1.00 0.00 N ATOM 979 CA SER A 59 3.351 6.723 8.324 1.00 0.00 C ATOM 980 C SER A 59 3.041 6.290 9.760 1.00 0.00 C ATOM 981 O SER A 59 1.877 6.082 10.108 1.00 0.00 O ATOM 982 CB SER A 59 3.916 5.557 7.508 1.00 0.00 C ATOM 983 OG SER A 59 3.285 4.333 7.838 1.00 0.00 O ATOM 0 H SER A 59 5.151 7.631 7.786 1.00 0.00 H new ATOM 0 HA SER A 59 2.406 7.047 7.889 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.785 5.759 6.445 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.988 5.474 7.686 1.00 0.00 H new ATOM 0 HG SER A 59 2.387 4.312 7.447 1.00 0.00 H new ATOM 989 N SER A 60 4.078 6.160 10.582 1.00 0.00 N ATOM 990 CA SER A 60 3.916 5.706 11.962 1.00 0.00 C ATOM 991 C SER A 60 3.017 6.649 12.766 1.00 0.00 C ATOM 992 O SER A 60 2.373 6.234 13.730 1.00 0.00 O ATOM 993 CB SER A 60 5.283 5.580 12.639 1.00 0.00 C ATOM 994 OG SER A 60 6.122 4.683 11.926 1.00 0.00 O ATOM 0 H SER A 60 5.042 6.363 10.317 1.00 0.00 H new ATOM 0 HA SER A 60 3.434 4.729 11.935 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.757 6.560 12.695 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.155 5.228 13.663 1.00 0.00 H new ATOM 0 HG SER A 60 6.803 5.191 11.437 1.00 0.00 H new ATOM 1000 N SER A 61 2.963 7.910 12.348 1.00 0.00 N ATOM 1001 CA SER A 61 2.182 8.921 13.052 1.00 0.00 C ATOM 1002 C SER A 61 0.687 8.764 12.752 1.00 0.00 C ATOM 1003 O SER A 61 -0.159 9.385 13.403 1.00 0.00 O ATOM 1004 CB SER A 61 2.662 10.322 12.654 1.00 0.00 C ATOM 1005 OG SER A 61 2.147 11.309 13.531 1.00 0.00 O ATOM 0 H SER A 61 3.452 8.257 11.523 1.00 0.00 H new ATOM 0 HA SER A 61 2.327 8.786 14.124 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.751 10.353 12.667 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.349 10.540 11.633 1.00 0.00 H new ATOM 0 HG SER A 61 1.279 11.016 13.880 1.00 0.00 H new ATOM 1011 N LEU A 62 0.365 7.937 11.767 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.021 7.713 11.387 1.00 0.00 C ATOM 1013 C LEU A 62 -1.485 6.324 11.811 1.00 0.00 C ATOM 1014 O LEU A 62 -2.561 6.162 12.392 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.191 7.880 9.875 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.841 9.264 9.327 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.943 9.276 7.809 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -1.758 10.318 9.927 1.00 0.00 C ATOM 0 H LEU A 62 1.045 7.411 11.218 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.635 8.453 11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.568 7.140 9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.226 7.655 9.615 1.00 0.00 H new ATOM 0 HG LEU A 62 0.186 9.497 9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.691 10.268 7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.251 8.544 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.961 9.024 7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.497 11.298 9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.793 10.087 9.674 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.643 10.326 11.011 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.669 5.323 11.516 1.00 0.00 N ATOM 1031 CA ALA A 63 -1.010 3.944 11.833 1.00 0.00 C ATOM 1032 C ALA A 63 0.233 3.165 12.238 1.00 0.00 C ATOM 1033 O ALA A 63 1.349 3.683 12.175 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.694 3.282 10.645 1.00 0.00 C ATOM 0 H ALA A 63 0.235 5.440 11.057 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.702 3.943 12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.943 2.251 10.897 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.606 3.826 10.400 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.023 3.294 9.786 1.00 0.00 H new ATOM 1040 N ASP A 64 0.037 1.923 12.654 1.00 0.00 N ATOM 1041 CA ASP A 64 1.140 1.085 13.097 1.00 0.00 C ATOM 1042 C ASP A 64 1.574 0.139 11.982 1.00 0.00 C ATOM 1043 O ASP A 64 0.745 -0.375 11.230 1.00 0.00 O ATOM 1044 CB ASP A 64 0.752 0.292 14.355 1.00 0.00 C ATOM 1045 CG ASP A 64 -0.419 -0.648 14.139 1.00 0.00 C ATOM 1046 OD1 ASP A 64 -1.555 -0.162 13.946 1.00 0.00 O ATOM 1047 OD2 ASP A 64 -0.210 -1.882 14.181 1.00 0.00 O ATOM 0 H ASP A 64 -0.877 1.473 12.694 1.00 0.00 H new ATOM 0 HA ASP A 64 1.980 1.733 13.348 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.614 -0.285 14.692 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.504 0.991 15.154 1.00 0.00 H new ATOM 1052 N PRO A 65 2.890 -0.069 11.834 1.00 0.00 N ATOM 1053 CA PRO A 65 3.435 -0.981 10.834 1.00 0.00 C ATOM 1054 C PRO A 65 3.332 -2.440 11.272 1.00 0.00 C ATOM 1055 O PRO A 65 3.376 -2.744 12.466 1.00 0.00 O ATOM 1056 CB PRO A 65 4.898 -0.553 10.735 1.00 0.00 C ATOM 1057 CG PRO A 65 5.226 -0.011 12.085 1.00 0.00 C ATOM 1058 CD PRO A 65 3.950 0.584 12.628 1.00 0.00 C ATOM 0 HA PRO A 65 2.896 -0.929 9.888 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.541 -1.396 10.480 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.038 0.201 9.961 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.596 -0.799 12.740 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.010 0.744 12.020 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.835 0.380 13.693 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.931 1.667 12.507 1.00 0.00 H new ATOM 1066 N ALA A 66 3.201 -3.339 10.303 1.00 0.00 N ATOM 1067 CA ALA A 66 3.100 -4.767 10.588 1.00 0.00 C ATOM 1068 C ALA A 66 4.375 -5.278 11.241 1.00 0.00 C ATOM 1069 O ALA A 66 4.345 -6.140 12.121 1.00 0.00 O ATOM 1070 CB ALA A 66 2.829 -5.537 9.308 1.00 0.00 C ATOM 0 H ALA A 66 3.162 -3.104 9.311 1.00 0.00 H new ATOM 0 HA ALA A 66 2.272 -4.921 11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.756 -6.601 9.532 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.893 -5.193 8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.644 -5.370 8.604 1.00 0.00 H new ATOM 1076 N SER A 67 5.489 -4.736 10.793 1.00 0.00 N ATOM 1077 CA SER A 67 6.787 -5.090 11.320 1.00 0.00 C ATOM 1078 C SER A 67 7.626 -3.846 11.495 1.00 0.00 C ATOM 1079 O SER A 67 7.477 -3.091 12.456 1.00 0.00 O ATOM 1080 CB SER A 67 7.461 -6.116 10.394 1.00 0.00 C ATOM 1081 OG SER A 67 8.744 -6.476 10.867 1.00 0.00 O ATOM 0 H SER A 67 5.518 -4.036 10.051 1.00 0.00 H new ATOM 0 HA SER A 67 6.677 -5.552 12.301 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.836 -7.006 10.320 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.545 -5.701 9.390 1.00 0.00 H new ATOM 0 HG SER A 67 9.145 -7.130 10.258 1.00 0.00 H new ATOM 1087 N ASP A 68 8.457 -3.634 10.534 1.00 0.00 N ATOM 1088 CA ASP A 68 9.287 -2.442 10.453 1.00 0.00 C ATOM 1089 C ASP A 68 9.715 -2.238 9.018 1.00 0.00 C ATOM 1090 O ASP A 68 9.356 -1.251 8.384 1.00 0.00 O ATOM 1091 CB ASP A 68 10.534 -2.580 11.332 1.00 0.00 C ATOM 1092 CG ASP A 68 11.193 -1.242 11.604 1.00 0.00 C ATOM 1093 OD1 ASP A 68 10.603 -0.424 12.338 1.00 0.00 O ATOM 1094 OD2 ASP A 68 12.301 -0.996 11.086 1.00 0.00 O ATOM 0 H ASP A 68 8.595 -4.284 9.760 1.00 0.00 H new ATOM 0 HA ASP A 68 8.707 -1.589 10.805 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.260 -3.047 12.278 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.249 -3.243 10.844 1.00 0.00 H new ATOM 1099 N ILE A 69 10.461 -3.204 8.514 1.00 0.00 N ATOM 1100 CA ILE A 69 10.922 -3.198 7.135 1.00 0.00 C ATOM 1101 C ILE A 69 10.963 -4.622 6.593 1.00 0.00 C ATOM 1102 O ILE A 69 11.354 -5.557 7.291 1.00 0.00 O ATOM 1103 CB ILE A 69 12.319 -2.554 6.999 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.205 -3.008 8.157 1.00 0.00 C ATOM 1105 CG2 ILE A 69 12.207 -1.035 6.971 1.00 0.00 C ATOM 1106 CD1 ILE A 69 14.660 -2.607 8.024 1.00 0.00 C ATOM 0 H ILE A 69 10.766 -4.017 9.049 1.00 0.00 H new ATOM 0 HA ILE A 69 10.218 -2.600 6.556 1.00 0.00 H new ATOM 0 HB ILE A 69 12.770 -2.875 6.060 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.810 -2.595 9.085 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.146 -4.093 8.241 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.201 -0.599 6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.594 -0.731 6.123 1.00 0.00 H new ATOM 0 HG23 ILE A 69 11.746 -0.687 7.895 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.218 -2.969 8.888 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.076 -3.042 7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.735 -1.521 7.973 1.00 0.00 H new ATOM 1118 N LYS A 70 10.534 -4.769 5.361 1.00 0.00 N ATOM 1119 CA LYS A 70 10.518 -6.058 4.685 1.00 0.00 C ATOM 1120 C LYS A 70 11.556 -6.054 3.576 1.00 0.00 C ATOM 1121 O LYS A 70 11.545 -5.170 2.714 1.00 0.00 O ATOM 1122 CB LYS A 70 9.129 -6.344 4.098 1.00 0.00 C ATOM 1123 CG LYS A 70 9.011 -7.709 3.424 1.00 0.00 C ATOM 1124 CD LYS A 70 7.638 -7.914 2.797 1.00 0.00 C ATOM 1125 CE LYS A 70 7.455 -9.334 2.274 1.00 0.00 C ATOM 1126 NZ LYS A 70 8.432 -9.684 1.205 1.00 0.00 N ATOM 0 H LYS A 70 10.184 -3.998 4.792 1.00 0.00 H new ATOM 0 HA LYS A 70 10.753 -6.840 5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.388 -6.278 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.886 -5.569 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.779 -7.803 2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.196 -8.494 4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.866 -7.698 3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.504 -7.206 1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.559 -10.037 3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.443 -9.446 1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.285 -10.670 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.294 -9.054 0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.400 -9.572 1.569 1.00 0.00 H new ATOM 1140 N THR A 71 12.449 -7.029 3.600 1.00 0.00 N ATOM 1141 CA THR A 71 13.527 -7.097 2.632 1.00 0.00 C ATOM 1142 C THR A 71 13.024 -7.560 1.268 1.00 0.00 C ATOM 1143 O THR A 71 12.658 -8.719 1.068 1.00 0.00 O ATOM 1144 CB THR A 71 14.658 -7.986 3.147 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.125 -9.206 3.686 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.439 -7.246 4.219 1.00 0.00 C ATOM 0 H THR A 71 12.447 -7.787 4.283 1.00 0.00 H new ATOM 0 HA THR A 71 13.926 -6.091 2.500 1.00 0.00 H new ATOM 0 HB THR A 71 15.323 -8.231 2.319 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.416 -9.541 3.098 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.245 -7.881 4.585 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.859 -6.333 3.798 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.774 -6.992 5.044 1.00 0.00 H new ATOM 1154 N CYS A 72 12.996 -6.609 0.353 1.00 0.00 N ATOM 1155 CA CYS A 72 12.327 -6.751 -0.927 1.00 0.00 C ATOM 1156 C CYS A 72 13.134 -7.573 -1.920 1.00 0.00 C ATOM 1157 O CYS A 72 14.347 -7.389 -2.052 1.00 0.00 O ATOM 1158 CB CYS A 72 12.061 -5.369 -1.504 1.00 0.00 C ATOM 1159 SG CYS A 72 11.561 -4.151 -0.267 1.00 0.00 S ATOM 0 H CYS A 72 13.445 -5.702 0.480 1.00 0.00 H new ATOM 0 HA CYS A 72 11.392 -7.284 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 72 12.961 -5.015 -2.007 1.00 0.00 H new ATOM 0 HB3 CYS A 72 11.282 -5.445 -2.262 1.00 0.00 H new ATOM 0 HG CYS A 72 11.534 -4.710 0.906 1.00 0.00 H new ATOM 1165 N ASP A 73 12.450 -8.454 -2.634 1.00 0.00 N ATOM 1166 CA ASP A 73 13.057 -9.180 -3.740 1.00 0.00 C ATOM 1167 C ASP A 73 12.689 -8.518 -5.068 1.00 0.00 C ATOM 1168 O ASP A 73 13.388 -8.676 -6.066 1.00 0.00 O ATOM 1169 CB ASP A 73 12.586 -10.637 -3.749 1.00 0.00 C ATOM 1170 CG ASP A 73 11.183 -10.785 -4.300 1.00 0.00 C ATOM 1171 OD1 ASP A 73 10.233 -10.288 -3.660 1.00 0.00 O ATOM 1172 OD2 ASP A 73 11.031 -11.378 -5.387 1.00 0.00 O ATOM 0 H ASP A 73 11.471 -8.684 -2.467 1.00 0.00 H new ATOM 0 HA ASP A 73 14.139 -9.158 -3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.274 -11.235 -4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.619 -11.033 -2.734 1.00 0.00 H new ATOM 1177 N HIS A 74 11.576 -7.782 -5.073 1.00 0.00 N ATOM 1178 CA HIS A 74 11.091 -7.125 -6.290 1.00 0.00 C ATOM 1179 C HIS A 74 10.916 -5.619 -6.107 1.00 0.00 C ATOM 1180 O HIS A 74 11.039 -4.855 -7.062 1.00 0.00 O ATOM 1181 CB HIS A 74 9.755 -7.729 -6.738 1.00 0.00 C ATOM 1182 CG HIS A 74 9.870 -9.053 -7.429 1.00 0.00 C ATOM 1183 ND1 HIS A 74 8.873 -10.005 -7.395 1.00 0.00 N ATOM 1184 CD2 HIS A 74 10.855 -9.573 -8.201 1.00 0.00 C ATOM 1185 CE1 HIS A 74 9.239 -11.049 -8.114 1.00 0.00 C ATOM 1186 NE2 HIS A 74 10.434 -10.811 -8.613 1.00 0.00 N ATOM 0 H HIS A 74 10.994 -7.626 -4.250 1.00 0.00 H new ATOM 0 HA HIS A 74 11.851 -7.292 -7.053 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.112 -7.844 -5.865 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.260 -7.026 -7.408 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.795 -9.101 -8.446 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.657 -11.946 -8.267 1.00 0.00 H new ATOM 0 HE2 HIS A 74 10.962 -11.446 -9.211 1.00 0.00 H new ATOM 1195 N TYR A 75 10.619 -5.190 -4.888 1.00 0.00 N ATOM 1196 CA TYR A 75 10.277 -3.792 -4.650 1.00 0.00 C ATOM 1197 C TYR A 75 11.550 -2.966 -4.503 1.00 0.00 C ATOM 1198 O TYR A 75 12.110 -2.861 -3.412 1.00 0.00 O ATOM 1199 CB TYR A 75 9.377 -3.598 -3.409 1.00 0.00 C ATOM 1200 CG TYR A 75 8.834 -4.863 -2.767 1.00 0.00 C ATOM 1201 CD1 TYR A 75 8.375 -5.928 -3.527 1.00 0.00 C ATOM 1202 CD2 TYR A 75 8.790 -4.986 -1.388 1.00 0.00 C ATOM 1203 CE1 TYR A 75 7.902 -7.073 -2.936 1.00 0.00 C ATOM 1204 CE2 TYR A 75 8.314 -6.129 -0.785 1.00 0.00 C ATOM 1205 CZ TYR A 75 7.874 -7.175 -1.565 1.00 0.00 C ATOM 1206 OH TYR A 75 7.404 -8.322 -0.972 1.00 0.00 O ATOM 0 H TYR A 75 10.607 -5.781 -4.057 1.00 0.00 H new ATOM 0 HA TYR A 75 9.706 -3.451 -5.513 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.944 -3.049 -2.657 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.533 -2.969 -3.693 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.390 -5.855 -4.604 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.136 -4.169 -0.773 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.552 -7.892 -3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.286 -6.204 0.292 1.00 0.00 H new ATOM 0 HH TYR A 75 6.515 -8.155 -0.595 1.00 0.00 H new ATOM 1216 N GLN A 76 12.020 -2.405 -5.609 1.00 0.00 N ATOM 1217 CA GLN A 76 13.292 -1.706 -5.627 1.00 0.00 C ATOM 1218 C GLN A 76 13.281 -0.449 -4.757 1.00 0.00 C ATOM 1219 O GLN A 76 14.210 -0.235 -3.970 1.00 0.00 O ATOM 1220 CB GLN A 76 13.689 -1.357 -7.063 1.00 0.00 C ATOM 1221 CG GLN A 76 12.657 -0.526 -7.816 1.00 0.00 C ATOM 1222 CD GLN A 76 13.124 -0.119 -9.201 1.00 0.00 C ATOM 1223 OE1 GLN A 76 13.892 -0.827 -9.850 1.00 0.00 O ATOM 1224 NE2 GLN A 76 12.663 1.034 -9.661 1.00 0.00 N ATOM 0 H GLN A 76 11.536 -2.422 -6.507 1.00 0.00 H new ATOM 0 HA GLN A 76 14.034 -2.382 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 76 14.633 -0.812 -7.044 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.865 -2.281 -7.613 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.732 -1.096 -7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.427 0.369 -7.238 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.027 1.593 -9.092 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.944 1.363 -10.585 1.00 0.00 H new ATOM 1233 N ASN A 77 12.221 0.352 -4.872 1.00 0.00 N ATOM 1234 CA ASN A 77 12.165 1.670 -4.239 1.00 0.00 C ATOM 1235 C ASN A 77 13.295 2.553 -4.766 1.00 0.00 C ATOM 1236 O ASN A 77 13.133 3.214 -5.786 1.00 0.00 O ATOM 1237 CB ASN A 77 12.223 1.567 -2.706 1.00 0.00 C ATOM 1238 CG ASN A 77 10.934 1.041 -2.105 1.00 0.00 C ATOM 1239 OD1 ASN A 77 10.036 1.813 -1.782 1.00 0.00 O ATOM 1240 ND2 ASN A 77 10.835 -0.271 -1.946 1.00 0.00 N ATOM 0 H ASN A 77 11.384 0.108 -5.402 1.00 0.00 H new ATOM 0 HA ASN A 77 11.209 2.127 -4.496 1.00 0.00 H new ATOM 0 HB2 ASN A 77 13.046 0.911 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.439 2.550 -2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.989 -0.673 -1.542 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.605 -0.878 -2.228 1.00 0.00 H new ATOM 1247 N PHE A 78 14.436 2.529 -4.078 1.00 0.00 N ATOM 1248 CA PHE A 78 15.652 3.216 -4.518 1.00 0.00 C ATOM 1249 C PHE A 78 16.823 2.894 -3.581 1.00 0.00 C ATOM 1250 O PHE A 78 17.808 2.309 -4.023 1.00 0.00 O ATOM 1251 CB PHE A 78 15.465 4.741 -4.631 1.00 0.00 C ATOM 1252 CG PHE A 78 15.379 5.247 -6.046 1.00 0.00 C ATOM 1253 CD1 PHE A 78 16.413 5.018 -6.941 1.00 0.00 C ATOM 1254 CD2 PHE A 78 14.269 5.955 -6.478 1.00 0.00 C ATOM 1255 CE1 PHE A 78 16.341 5.486 -8.239 1.00 0.00 C ATOM 1256 CE2 PHE A 78 14.190 6.425 -7.775 1.00 0.00 C ATOM 1257 CZ PHE A 78 15.226 6.190 -8.658 1.00 0.00 C ATOM 0 H PHE A 78 14.544 2.030 -3.195 1.00 0.00 H new ATOM 0 HA PHE A 78 15.877 2.845 -5.518 1.00 0.00 H new ATOM 0 HB2 PHE A 78 14.557 5.025 -4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 78 16.296 5.236 -4.129 1.00 0.00 H new ATOM 0 HD1 PHE A 78 17.285 4.467 -6.620 1.00 0.00 H new ATOM 0 HD2 PHE A 78 13.456 6.142 -5.793 1.00 0.00 H new ATOM 0 HE1 PHE A 78 17.154 5.303 -8.926 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.319 6.976 -8.098 1.00 0.00 H new ATOM 0 HZ PHE A 78 15.166 6.555 -9.673 1.00 0.00 H new ATOM 1267 N PRO A 79 16.724 3.256 -2.272 1.00 0.00 N ATOM 1268 CA PRO A 79 17.798 3.054 -1.281 1.00 0.00 C ATOM 1269 C PRO A 79 18.489 1.687 -1.363 1.00 0.00 C ATOM 1270 O PRO A 79 19.663 1.606 -1.732 1.00 0.00 O ATOM 1271 CB PRO A 79 17.075 3.199 0.074 1.00 0.00 C ATOM 1272 CG PRO A 79 15.628 3.418 -0.243 1.00 0.00 C ATOM 1273 CD PRO A 79 15.576 3.925 -1.646 1.00 0.00 C ATOM 0 HA PRO A 79 18.605 3.768 -1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.209 2.305 0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.479 4.036 0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 79 15.064 2.490 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.184 4.136 0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 79 14.638 3.664 -2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 79 15.667 5.010 -1.688 1.00 0.00 H new ATOM 1281 N LEU A 80 17.743 0.634 -1.023 1.00 0.00 N ATOM 1282 CA LEU A 80 18.276 -0.734 -0.924 1.00 0.00 C ATOM 1283 C LEU A 80 19.210 -0.846 0.285 1.00 0.00 C ATOM 1284 O LEU A 80 20.130 -0.047 0.460 1.00 0.00 O ATOM 1285 CB LEU A 80 18.989 -1.166 -2.231 1.00 0.00 C ATOM 1286 CG LEU A 80 19.238 -2.672 -2.409 1.00 0.00 C ATOM 1287 CD1 LEU A 80 19.686 -2.970 -3.829 1.00 0.00 C ATOM 1288 CD2 LEU A 80 20.291 -3.173 -1.443 1.00 0.00 C ATOM 0 H LEU A 80 16.748 0.702 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 80 17.439 -1.418 -0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.395 -0.816 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.949 -0.653 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 80 18.299 -3.185 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.858 -4.041 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.913 -2.653 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.609 -2.430 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.444 -4.242 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.227 -2.644 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.960 -2.995 -0.420 1.00 0.00 H new ATOM 1300 N TYR A 81 18.955 -1.841 1.126 1.00 0.00 N ATOM 1301 CA TYR A 81 19.768 -2.065 2.309 1.00 0.00 C ATOM 1302 C TYR A 81 21.087 -2.712 1.900 1.00 0.00 C ATOM 1303 O TYR A 81 21.152 -3.917 1.651 1.00 0.00 O ATOM 1304 CB TYR A 81 19.023 -2.960 3.306 1.00 0.00 C ATOM 1305 CG TYR A 81 19.394 -2.725 4.753 1.00 0.00 C ATOM 1306 CD1 TYR A 81 20.592 -3.194 5.274 1.00 0.00 C ATOM 1307 CD2 TYR A 81 18.536 -2.032 5.599 1.00 0.00 C ATOM 1308 CE1 TYR A 81 20.925 -2.980 6.597 1.00 0.00 C ATOM 1309 CE2 TYR A 81 18.862 -1.815 6.923 1.00 0.00 C ATOM 1310 CZ TYR A 81 20.057 -2.291 7.416 1.00 0.00 C ATOM 1311 OH TYR A 81 20.388 -2.074 8.732 1.00 0.00 O ATOM 0 H TYR A 81 18.190 -2.505 1.008 1.00 0.00 H new ATOM 0 HA TYR A 81 19.970 -1.109 2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.951 -2.801 3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 81 19.220 -4.003 3.058 1.00 0.00 H new ATOM 0 HD1 TYR A 81 21.274 -3.735 4.635 1.00 0.00 H new ATOM 0 HD2 TYR A 81 17.599 -1.657 5.214 1.00 0.00 H new ATOM 0 HE1 TYR A 81 21.861 -3.351 6.988 1.00 0.00 H new ATOM 0 HE2 TYR A 81 18.184 -1.275 7.568 1.00 0.00 H new ATOM 0 HH TYR A 81 19.670 -1.573 9.172 1.00 0.00 H new ATOM 1401 N GLU A 88 19.644 -6.263 -0.266 1.00 0.00 N ATOM 1402 CA GLU A 88 18.221 -6.421 -0.502 1.00 0.00 C ATOM 1403 C GLU A 88 17.495 -5.144 -0.152 1.00 0.00 C ATOM 1404 O GLU A 88 17.902 -4.407 0.740 1.00 0.00 O ATOM 1405 CB GLU A 88 17.672 -7.621 0.279 1.00 0.00 C ATOM 1406 CG GLU A 88 18.208 -7.745 1.692 1.00 0.00 C ATOM 1407 CD GLU A 88 18.254 -9.186 2.154 1.00 0.00 C ATOM 1408 OE1 GLU A 88 17.241 -9.686 2.683 1.00 0.00 O ATOM 1409 OE2 GLU A 88 19.305 -9.839 1.972 1.00 0.00 O ATOM 0 HA GLU A 88 18.055 -6.622 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.585 -7.546 0.321 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.908 -8.534 -0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.209 -7.316 1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.581 -7.166 2.370 1.00 0.00 H new ATOM 1416 N HIS A 89 16.444 -4.860 -0.895 1.00 0.00 N ATOM 1417 CA HIS A 89 15.706 -3.627 -0.712 1.00 0.00 C ATOM 1418 C HIS A 89 14.878 -3.743 0.555 1.00 0.00 C ATOM 1419 O HIS A 89 14.776 -4.825 1.121 1.00 0.00 O ATOM 1420 CB HIS A 89 14.808 -3.347 -1.926 1.00 0.00 C ATOM 1421 CG HIS A 89 15.508 -3.469 -3.252 1.00 0.00 C ATOM 1422 ND1 HIS A 89 15.970 -2.386 -3.970 1.00 0.00 N ATOM 1423 CD2 HIS A 89 15.813 -4.563 -3.994 1.00 0.00 C ATOM 1424 CE1 HIS A 89 16.529 -2.809 -5.091 1.00 0.00 C ATOM 1425 NE2 HIS A 89 16.447 -4.123 -5.126 1.00 0.00 N ATOM 0 H HIS A 89 16.082 -5.466 -1.631 1.00 0.00 H new ATOM 0 HA HIS A 89 16.401 -2.792 -0.620 1.00 0.00 H new ATOM 0 HB2 HIS A 89 13.965 -4.038 -1.908 1.00 0.00 H new ATOM 0 HB3 HIS A 89 14.397 -2.341 -1.836 1.00 0.00 H new ATOM 0 HD1 HIS A 89 15.893 -1.411 -3.681 1.00 0.00 H new ATOM 0 HD2 HIS A 89 15.596 -5.590 -3.740 1.00 0.00 H new ATOM 0 HE1 HIS A 89 16.977 -2.183 -5.849 1.00 0.00 H new ATOM 1434 N TYR A 90 14.305 -2.655 1.021 1.00 0.00 N ATOM 1435 CA TYR A 90 13.464 -2.727 2.200 1.00 0.00 C ATOM 1436 C TYR A 90 12.293 -1.768 2.088 1.00 0.00 C ATOM 1437 O TYR A 90 12.447 -0.618 1.669 1.00 0.00 O ATOM 1438 CB TYR A 90 14.272 -2.475 3.482 1.00 0.00 C ATOM 1439 CG TYR A 90 14.936 -1.116 3.573 1.00 0.00 C ATOM 1440 CD1 TYR A 90 16.129 -0.853 2.913 1.00 0.00 C ATOM 1441 CD2 TYR A 90 14.378 -0.105 4.342 1.00 0.00 C ATOM 1442 CE1 TYR A 90 16.742 0.382 3.012 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.981 1.130 4.445 1.00 0.00 C ATOM 1444 CZ TYR A 90 16.166 1.370 3.781 1.00 0.00 C ATOM 1445 OH TYR A 90 16.775 2.602 3.884 1.00 0.00 O ATOM 0 H TYR A 90 14.402 -1.725 0.612 1.00 0.00 H new ATOM 0 HA TYR A 90 13.064 -3.739 2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.609 -2.595 4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 90 15.041 -3.243 3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 90 16.585 -1.626 2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.454 -0.289 4.870 1.00 0.00 H new ATOM 0 HE1 TYR A 90 17.668 0.572 2.489 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.528 1.907 5.043 1.00 0.00 H new ATOM 0 HH TYR A 90 16.239 3.184 4.462 1.00 0.00 H new ATOM 1455 N GLY A 91 11.124 -2.273 2.434 1.00 0.00 N ATOM 1456 CA GLY A 91 9.918 -1.476 2.414 1.00 0.00 C ATOM 1457 C GLY A 91 9.136 -1.662 3.689 1.00 0.00 C ATOM 1458 O GLY A 91 9.361 -2.631 4.408 1.00 0.00 O ATOM 0 H GLY A 91 10.987 -3.238 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.173 -0.424 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.303 -1.759 1.560 1.00 0.00 H new ATOM 1462 N ILE A 92 8.220 -0.760 3.980 1.00 0.00 N ATOM 1463 CA ILE A 92 7.512 -0.803 5.250 1.00 0.00 C ATOM 1464 C ILE A 92 6.147 -1.480 5.106 1.00 0.00 C ATOM 1465 O ILE A 92 5.276 -0.997 4.374 1.00 0.00 O ATOM 1466 CB ILE A 92 7.342 0.614 5.831 1.00 0.00 C ATOM 1467 CG1 ILE A 92 8.670 1.368 5.738 1.00 0.00 C ATOM 1468 CG2 ILE A 92 6.875 0.544 7.279 1.00 0.00 C ATOM 1469 CD1 ILE A 92 8.587 2.808 6.178 1.00 0.00 C ATOM 0 H ILE A 92 7.948 0.006 3.363 1.00 0.00 H new ATOM 0 HA ILE A 92 8.114 -1.395 5.939 1.00 0.00 H new ATOM 0 HB ILE A 92 6.586 1.146 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.412 0.854 6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.025 1.333 4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 92 6.760 1.554 7.673 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.918 0.024 7.328 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.612 0.004 7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 92 9.568 3.275 6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 92 7.870 3.339 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.263 2.853 7.218 1.00 0.00 H new ATOM 1481 N PRO A 93 5.951 -2.617 5.800 1.00 0.00 N ATOM 1482 CA PRO A 93 4.703 -3.388 5.746 1.00 0.00 C ATOM 1483 C PRO A 93 3.582 -2.778 6.589 1.00 0.00 C ATOM 1484 O PRO A 93 3.815 -2.288 7.697 1.00 0.00 O ATOM 1485 CB PRO A 93 5.109 -4.749 6.308 1.00 0.00 C ATOM 1486 CG PRO A 93 6.252 -4.466 7.224 1.00 0.00 C ATOM 1487 CD PRO A 93 6.951 -3.246 6.684 1.00 0.00 C ATOM 0 HA PRO A 93 4.298 -3.423 4.735 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.282 -5.217 6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.402 -5.433 5.511 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.899 -4.291 8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.934 -5.316 7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.253 -2.573 7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.854 -3.514 6.136 1.00 0.00 H new ATOM 1495 N HIS A 94 2.363 -2.820 6.063 1.00 0.00 N ATOM 1496 CA HIS A 94 1.202 -2.245 6.743 1.00 0.00 C ATOM 1497 C HIS A 94 -0.027 -3.118 6.553 1.00 0.00 C ATOM 1498 O HIS A 94 -0.037 -4.024 5.718 1.00 0.00 O ATOM 1499 CB HIS A 94 0.884 -0.845 6.209 1.00 0.00 C ATOM 1500 CG HIS A 94 1.963 0.156 6.439 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.052 0.281 5.612 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.120 1.082 7.411 1.00 0.00 C ATOM 1503 CE1 HIS A 94 3.833 1.237 6.063 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.293 1.746 7.155 1.00 0.00 N ATOM 0 H HIS A 94 2.150 -3.248 5.162 1.00 0.00 H new ATOM 0 HA HIS A 94 1.454 -2.185 7.802 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.688 -0.912 5.139 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.033 -0.489 6.679 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.227 -0.280 4.778 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.447 1.265 8.236 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.763 1.554 5.614 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.682 2.505 7.714 1.00 0.00 H new ATOM 1513 N GLY A 95 -1.072 -2.782 7.290 1.00 0.00 N ATOM 1514 CA GLY A 95 -2.330 -3.486 7.207 1.00 0.00 C ATOM 1515 C GLY A 95 -3.353 -2.821 8.093 1.00 0.00 C ATOM 1516 O GLY A 95 -2.989 -2.088 9.012 1.00 0.00 O ATOM 0 H GLY A 95 -1.067 -2.013 7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.682 -3.497 6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.195 -4.525 7.509 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.628 -3.048 7.817 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.689 -2.309 8.490 1.00 0.00 C ATOM 1522 C PHE A 96 -6.833 -3.235 8.877 1.00 0.00 C ATOM 1523 O PHE A 96 -6.599 -4.342 9.349 1.00 0.00 O ATOM 1524 CB PHE A 96 -6.176 -1.167 7.588 1.00 0.00 C ATOM 1525 CG PHE A 96 -5.083 -0.193 7.261 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.772 0.831 8.138 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.350 -0.320 6.093 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.749 1.711 7.855 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.329 0.561 5.804 1.00 0.00 C ATOM 1530 CZ PHE A 96 -3.029 1.576 6.686 1.00 0.00 C ATOM 0 H PHE A 96 -4.954 -3.734 7.136 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.294 -1.879 9.411 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.577 -1.583 6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.993 -0.641 8.082 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.336 0.942 9.053 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.580 -1.117 5.401 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.512 2.505 8.548 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.766 0.455 4.888 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.229 2.267 6.462 1.00 0.00 H new ATOM 1540 N SER A 97 -8.062 -2.793 8.669 1.00 0.00 N ATOM 1541 CA SER A 97 -9.218 -3.549 9.109 1.00 0.00 C ATOM 1542 C SER A 97 -10.435 -3.215 8.258 1.00 0.00 C ATOM 1543 O SER A 97 -11.255 -4.083 7.964 1.00 0.00 O ATOM 1544 CB SER A 97 -9.501 -3.229 10.576 1.00 0.00 C ATOM 1545 OG SER A 97 -9.421 -1.829 10.803 1.00 0.00 O ATOM 0 H SER A 97 -8.283 -1.915 8.199 1.00 0.00 H new ATOM 0 HA SER A 97 -9.008 -4.613 9.000 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.492 -3.592 10.849 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.785 -3.748 11.213 1.00 0.00 H new ATOM 0 HG SER A 97 -9.606 -1.639 11.746 1.00 0.00 H new ATOM 1551 N SER A 98 -10.548 -1.949 7.872 1.00 0.00 N ATOM 1552 CA SER A 98 -11.650 -1.500 7.041 1.00 0.00 C ATOM 1553 C SER A 98 -11.141 -0.666 5.867 1.00 0.00 C ATOM 1554 O SER A 98 -10.090 -0.013 5.956 1.00 0.00 O ATOM 1555 CB SER A 98 -12.631 -0.685 7.886 1.00 0.00 C ATOM 1556 OG SER A 98 -11.973 0.396 8.529 1.00 0.00 O ATOM 0 H SER A 98 -9.885 -1.216 8.124 1.00 0.00 H new ATOM 0 HA SER A 98 -12.162 -2.373 6.637 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.432 -0.303 7.253 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.095 -1.329 8.633 1.00 0.00 H new ATOM 0 HG SER A 98 -12.621 0.903 9.062 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.890 -0.696 4.770 1.00 0.00 N ATOM 1563 CA ARG A 99 -11.565 0.096 3.589 1.00 0.00 C ATOM 1564 C ARG A 99 -11.542 1.580 3.926 1.00 0.00 C ATOM 1565 O ARG A 99 -10.698 2.326 3.430 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.583 -0.146 2.472 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.515 -1.526 1.838 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.520 -1.640 0.704 1.00 0.00 C ATOM 1569 NE ARG A 99 -13.409 -2.903 -0.022 1.00 0.00 N ATOM 1570 CZ ARG A 99 -13.930 -3.111 -1.231 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -14.570 -2.139 -1.865 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -13.792 -4.287 -1.818 1.00 0.00 N ATOM 0 H ARG A 99 -12.732 -1.264 4.674 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.577 -0.214 3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.585 0.005 2.873 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.434 0.604 1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.509 -1.710 1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.718 -2.289 2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -14.528 -1.544 1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.374 -0.812 0.010 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.904 -3.670 0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.667 -1.223 -1.428 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.965 -2.307 -2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.286 -5.037 -1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.191 -4.445 -2.743 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.476 1.997 4.773 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.612 3.396 5.152 1.00 0.00 C ATOM 1588 C ILE A 100 -11.330 3.909 5.826 1.00 0.00 C ATOM 1589 O ILE A 100 -10.912 5.042 5.590 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.859 3.603 6.065 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -14.643 4.858 5.651 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.485 3.671 7.540 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -13.859 6.151 5.749 1.00 0.00 C ATOM 0 H ILE A 100 -13.156 1.378 5.214 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.764 3.982 4.246 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.499 2.731 5.929 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.987 4.734 4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.532 4.939 6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.385 3.816 8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.999 2.741 7.835 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.803 4.505 7.704 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.490 6.984 5.438 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.538 6.304 6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.985 6.096 5.101 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.685 3.064 6.630 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.461 3.463 7.310 1.00 0.00 C ATOM 1607 C ALA A 101 -8.326 3.621 6.313 1.00 0.00 C ATOM 1608 O ALA A 101 -7.612 4.619 6.336 1.00 0.00 O ATOM 1609 CB ALA A 101 -9.077 2.461 8.388 1.00 0.00 C ATOM 0 H ALA A 101 -10.988 2.109 6.823 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.645 4.424 7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.159 2.787 8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.877 2.395 9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.919 1.482 7.935 1.00 0.00 H new ATOM 1615 N LEU A 102 -8.179 2.639 5.429 1.00 0.00 N ATOM 1616 CA LEU A 102 -7.139 2.687 4.403 1.00 0.00 C ATOM 1617 C LEU A 102 -7.336 3.903 3.497 1.00 0.00 C ATOM 1618 O LEU A 102 -6.369 4.542 3.078 1.00 0.00 O ATOM 1619 CB LEU A 102 -7.148 1.392 3.583 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.158 1.341 2.414 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.739 1.604 2.890 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.241 -0.006 1.713 1.00 0.00 C ATOM 0 H LEU A 102 -8.763 1.803 5.401 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.169 2.782 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.936 0.558 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.153 1.238 3.191 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.427 2.124 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.057 1.562 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.686 2.591 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.455 0.848 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.533 -0.029 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.999 -0.800 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.251 -0.156 1.331 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.594 4.222 3.223 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.944 5.373 2.403 1.00 0.00 C ATOM 1636 C GLU A 103 -8.420 6.658 3.044 1.00 0.00 C ATOM 1637 O GLU A 103 -7.600 7.368 2.460 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.468 5.435 2.238 1.00 0.00 C ATOM 1639 CG GLU A 103 -10.935 5.899 0.866 1.00 0.00 C ATOM 1640 CD GLU A 103 -10.785 7.392 0.651 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -11.646 8.150 1.146 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -9.825 7.810 -0.025 1.00 0.00 O ATOM 0 H GLU A 103 -9.397 3.692 3.562 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.483 5.271 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.883 4.446 2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.876 6.107 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.368 5.371 0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.982 5.624 0.735 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.867 6.931 4.268 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.476 8.153 4.973 1.00 0.00 C ATOM 1651 C ARG A 104 -6.975 8.157 5.250 1.00 0.00 C ATOM 1652 O ARG A 104 -6.340 9.212 5.277 1.00 0.00 O ATOM 1653 CB ARG A 104 -9.241 8.294 6.292 1.00 0.00 C ATOM 1654 CG ARG A 104 -10.733 8.057 6.156 1.00 0.00 C ATOM 1655 CD ARG A 104 -11.507 8.645 7.323 1.00 0.00 C ATOM 1656 NE ARG A 104 -11.458 10.103 7.321 1.00 0.00 N ATOM 1657 CZ ARG A 104 -12.460 10.877 6.900 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -13.598 10.325 6.487 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -12.328 12.198 6.902 1.00 0.00 N ATOM 0 H ARG A 104 -9.499 6.325 4.792 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.724 8.999 4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.834 7.588 7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.075 9.294 6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.088 8.499 5.225 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.927 6.986 6.094 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -12.545 8.315 7.275 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -11.096 8.268 8.260 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.610 10.556 7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -13.704 9.311 6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.364 10.916 6.165 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.459 12.623 7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.095 12.788 6.580 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.424 6.965 5.443 1.00 0.00 N ATOM 1674 CA TYR A 105 -5.003 6.790 5.705 1.00 0.00 C ATOM 1675 C TYR A 105 -4.157 7.421 4.600 1.00 0.00 C ATOM 1676 O TYR A 105 -3.317 8.280 4.871 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.690 5.297 5.837 1.00 0.00 C ATOM 1678 CG TYR A 105 -3.248 4.996 6.148 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -2.720 5.256 7.405 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -2.418 4.447 5.185 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -1.396 4.980 7.688 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -1.099 4.165 5.461 1.00 0.00 C ATOM 1683 CZ TYR A 105 -0.592 4.432 6.713 1.00 0.00 C ATOM 1684 OH TYR A 105 0.728 4.160 6.984 1.00 0.00 O ATOM 0 H TYR A 105 -6.951 6.092 5.422 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.754 7.295 6.638 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -5.316 4.874 6.623 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -4.962 4.796 4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -3.352 5.679 8.172 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.812 4.237 4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.994 5.193 8.668 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -0.465 3.736 4.699 1.00 0.00 H new ATOM 0 HH TYR A 105 1.153 3.776 6.189 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.395 7.003 3.358 1.00 0.00 N ATOM 1695 CA LEU A 106 -3.684 7.563 2.206 1.00 0.00 C ATOM 1696 C LEU A 106 -3.862 9.071 2.136 1.00 0.00 C ATOM 1697 O LEU A 106 -2.893 9.802 2.005 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.193 6.935 0.911 1.00 0.00 C ATOM 1699 CG LEU A 106 -3.658 5.540 0.624 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -4.295 4.987 -0.640 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -2.142 5.581 0.496 1.00 0.00 C ATOM 0 H LEU A 106 -5.074 6.279 3.122 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.624 7.338 2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.281 6.891 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.929 7.588 0.079 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.915 4.879 1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.905 3.988 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.376 4.936 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.061 5.640 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.767 4.578 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -1.864 6.247 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.708 5.947 1.426 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.103 9.528 2.261 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.436 10.950 2.143 1.00 0.00 C ATOM 1715 C ASN A 107 -4.508 11.843 2.973 1.00 0.00 C ATOM 1716 O ASN A 107 -4.238 12.987 2.605 1.00 0.00 O ATOM 1717 CB ASN A 107 -6.881 11.179 2.568 1.00 0.00 C ATOM 1718 CG ASN A 107 -7.873 10.912 1.450 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -8.224 11.813 0.691 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -8.326 9.677 1.335 1.00 0.00 N ATOM 0 H ASN A 107 -5.907 8.928 2.446 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.302 11.225 1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.112 10.533 3.415 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.995 12.207 2.911 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.991 9.444 0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.011 8.956 1.984 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.029 11.315 4.088 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.103 12.049 4.928 1.00 0.00 C ATOM 1729 C GLY A 108 -1.659 11.617 4.722 1.00 0.00 C ATOM 1730 O GLY A 108 -0.733 12.413 4.888 1.00 0.00 O ATOM 0 H GLY A 108 -4.267 10.384 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.193 13.115 4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.375 11.907 5.974 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.474 10.356 4.351 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.144 9.757 4.210 1.00 0.00 C ATOM 1736 C LEU A 109 0.525 10.121 2.891 1.00 0.00 C ATOM 1737 O LEU A 109 1.701 9.828 2.723 1.00 0.00 O ATOM 1738 CB LEU A 109 -0.246 8.232 4.277 1.00 0.00 C ATOM 1739 CG LEU A 109 1.089 7.491 4.152 1.00 0.00 C ATOM 1740 CD1 LEU A 109 1.883 7.606 5.439 1.00 0.00 C ATOM 1741 CD2 LEU A 109 0.872 6.038 3.769 1.00 0.00 C ATOM 0 H LEU A 109 -2.239 9.716 4.138 1.00 0.00 H new ATOM 0 HA LEU A 109 0.459 10.150 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.712 7.955 5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.910 7.891 3.482 1.00 0.00 H new ATOM 0 HG LEU A 109 1.666 7.959 3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.828 7.074 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.080 8.657 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.312 7.170 6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.836 5.535 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.270 5.546 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.354 5.988 2.811 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.172 10.903 2.064 1.00 0.00 N ATOM 1754 CA PHE A 110 0.009 10.935 0.600 1.00 0.00 C ATOM 1755 C PHE A 110 -0.936 9.916 -0.058 1.00 0.00 C ATOM 1756 O PHE A 110 -0.760 8.701 -0.038 1.00 0.00 O ATOM 1757 CB PHE A 110 1.486 10.744 0.164 1.00 0.00 C ATOM 1758 CG PHE A 110 1.775 9.392 -0.388 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.933 8.315 0.458 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.816 9.188 -1.744 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.129 7.059 -0.032 1.00 0.00 C ATOM 1762 CE2 PHE A 110 2.009 7.932 -2.250 1.00 0.00 C ATOM 1763 CZ PHE A 110 2.169 6.853 -1.395 1.00 0.00 C ATOM 0 H PHE A 110 -0.893 11.546 2.393 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.256 11.933 0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 110 1.734 11.494 -0.587 1.00 0.00 H new ATOM 0 HB3 PHE A 110 2.135 10.924 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.901 8.469 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 110 1.695 10.025 -2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 110 2.253 6.227 0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 110 2.037 7.781 -3.319 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.323 5.861 -1.792 1.00 0.00 H new