USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 901 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 85 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 166:sc= 0.0321 (180deg=0.0105) USER MOD Set 2.1: A 41 GLN : amide:sc= -1.9! C(o=-1.9!,f=-7.6!) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.463 K(o=-0.46,f=-2.5!) USER MOD Single : A 10 SER OG : rot -177:sc= -1.84! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=0.55) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -68:sc= -0.568! USER MOD Single : A 25 CYS SG : rot -119:sc= -0.339 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= -1.03 (180deg=-1.35!) USER MOD Single : A 29 TYR OH : rot -108:sc= 0.143! USER MOD Single : A 30 THR OG1 : rot 140:sc= -1.28 USER MOD Single : A 37 HIS : no HE2:sc= -9.92! C(o=-9.9!,f=-12!) USER MOD Single : A 45 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.2) USER MOD Single : A 46 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.3) USER MOD Single : A 48 CYS SG : rot 63:sc= -0.242 USER MOD Single : A 53 SER OG : rot 80:sc= 0.835! USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.844 K(o=-0.84,f=-3.8!) USER MOD Single : A 65 SER OG : rot -139:sc= 0.865 USER MOD Single : A 67 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.04) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -42:sc= -1.59 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -0.0742 K(o=-0.074,f=-3.8!) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.861 K(o=-0.86,f=-0.15) USER MOD Single : A 122 MET CE :methyl 134:sc= -4.23 (180deg=-5.13!) USER MOD Single : A 124 CYS SG : rot 98:sc= 0.741 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.684 3.569 -19.284 1.00 0.00 N ATOM 59 CA VAL A 4 2.653 4.481 -18.700 1.00 0.00 C ATOM 60 C VAL A 4 2.653 5.822 -19.430 1.00 0.00 C ATOM 61 O VAL A 4 2.617 5.872 -20.660 1.00 0.00 O ATOM 62 CB VAL A 4 4.078 3.889 -18.730 1.00 0.00 C ATOM 63 CG1 VAL A 4 4.437 3.294 -17.378 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.214 2.843 -19.830 1.00 0.00 C ATOM 0 HA VAL A 4 2.357 4.634 -17.662 1.00 0.00 H new ATOM 0 HB VAL A 4 4.775 4.698 -18.948 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.445 2.881 -17.418 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.393 4.071 -16.615 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.730 2.502 -17.130 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.228 2.443 -19.828 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.504 2.035 -19.653 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.007 3.302 -20.797 1.00 0.00 H new ATOM 74 N VAL A 5 2.690 6.905 -18.661 1.00 0.00 N ATOM 75 CA VAL A 5 2.692 8.250 -19.226 1.00 0.00 C ATOM 76 C VAL A 5 4.114 8.785 -19.377 1.00 0.00 C ATOM 77 O VAL A 5 5.007 8.421 -18.611 1.00 0.00 O ATOM 78 CB VAL A 5 1.881 9.228 -18.355 1.00 0.00 C ATOM 79 CG1 VAL A 5 0.391 8.956 -18.493 1.00 0.00 C ATOM 80 CG2 VAL A 5 2.316 9.139 -16.899 1.00 0.00 C ATOM 0 H VAL A 5 2.719 6.877 -17.642 1.00 0.00 H new ATOM 0 HA VAL A 5 2.227 8.177 -20.209 1.00 0.00 H new ATOM 0 HB VAL A 5 2.076 10.242 -18.704 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.166 9.656 -17.871 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.093 9.080 -19.534 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.176 7.936 -18.173 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.731 9.838 -16.301 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.156 8.125 -16.533 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.374 9.390 -16.819 1.00 0.00 H new ATOM 90 N PRO A 6 4.346 9.661 -20.372 1.00 0.00 N ATOM 91 CA PRO A 6 5.665 10.251 -20.623 1.00 0.00 C ATOM 92 C PRO A 6 6.297 10.812 -19.353 1.00 0.00 C ATOM 93 O PRO A 6 7.521 10.831 -19.213 1.00 0.00 O ATOM 94 CB PRO A 6 5.384 11.378 -21.631 1.00 0.00 C ATOM 95 CG PRO A 6 3.895 11.501 -21.700 1.00 0.00 C ATOM 96 CD PRO A 6 3.347 10.156 -21.326 1.00 0.00 C ATOM 0 HA PRO A 6 6.374 9.510 -20.993 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.839 12.314 -21.308 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.803 11.141 -22.609 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.536 12.271 -21.018 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.574 11.788 -22.701 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.358 10.232 -20.875 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.253 9.501 -22.192 1.00 0.00 H new ATOM 104 N ASP A 7 5.455 11.255 -18.426 1.00 0.00 N ATOM 105 CA ASP A 7 5.921 11.801 -17.165 1.00 0.00 C ATOM 106 C ASP A 7 5.017 11.323 -16.037 1.00 0.00 C ATOM 107 O ASP A 7 3.975 11.913 -15.758 1.00 0.00 O ATOM 108 CB ASP A 7 5.956 13.328 -17.219 1.00 0.00 C ATOM 109 CG ASP A 7 7.120 13.852 -18.036 1.00 0.00 C ATOM 110 OD1 ASP A 7 8.186 13.202 -18.035 1.00 0.00 O ATOM 111 OD2 ASP A 7 6.964 14.912 -18.679 1.00 0.00 O ATOM 0 H ASP A 7 4.440 11.245 -18.529 1.00 0.00 H new ATOM 0 HA ASP A 7 6.936 11.450 -16.979 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.022 13.695 -17.645 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.021 13.723 -16.205 1.00 0.00 H new ATOM 116 N GLN A 8 5.428 10.242 -15.401 1.00 0.00 N ATOM 117 CA GLN A 8 4.671 9.659 -14.303 1.00 0.00 C ATOM 118 C GLN A 8 4.556 10.663 -13.171 1.00 0.00 C ATOM 119 O GLN A 8 3.488 10.837 -12.583 1.00 0.00 O ATOM 120 CB GLN A 8 5.347 8.376 -13.812 1.00 0.00 C ATOM 121 CG GLN A 8 5.350 7.257 -14.842 1.00 0.00 C ATOM 122 CD GLN A 8 6.615 7.242 -15.680 1.00 0.00 C ATOM 123 OE1 GLN A 8 7.656 7.747 -15.262 1.00 0.00 O ATOM 124 NE2 GLN A 8 6.528 6.661 -16.871 1.00 0.00 N ATOM 0 H GLN A 8 6.289 9.744 -15.627 1.00 0.00 H new ATOM 0 HA GLN A 8 3.671 9.406 -14.656 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.375 8.602 -13.530 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.839 8.029 -12.912 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.244 6.299 -14.333 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.486 7.368 -15.497 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.644 6.255 -17.177 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.345 6.621 -17.480 1.00 0.00 H new ATOM 133 N ARG A 9 5.658 11.344 -12.897 1.00 0.00 N ATOM 134 CA ARG A 9 5.680 12.362 -11.862 1.00 0.00 C ATOM 135 C ARG A 9 4.822 13.538 -12.284 1.00 0.00 C ATOM 136 O ARG A 9 4.326 14.281 -11.447 1.00 0.00 O ATOM 137 CB ARG A 9 7.112 12.832 -11.590 1.00 0.00 C ATOM 138 CG ARG A 9 7.906 13.130 -12.853 1.00 0.00 C ATOM 139 CD ARG A 9 9.136 12.242 -12.966 1.00 0.00 C ATOM 140 NE ARG A 9 10.114 12.780 -13.910 1.00 0.00 N ATOM 141 CZ ARG A 9 11.214 12.132 -14.289 1.00 0.00 C ATOM 142 NH1 ARG A 9 11.480 10.924 -13.808 1.00 0.00 N ATOM 143 NH2 ARG A 9 12.048 12.694 -15.152 1.00 0.00 N ATOM 0 H ARG A 9 6.548 11.209 -13.377 1.00 0.00 H new ATOM 0 HA ARG A 9 5.281 11.931 -10.944 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.080 13.729 -10.971 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.634 12.067 -11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.270 12.984 -13.726 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.211 14.176 -12.853 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.599 12.137 -11.985 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.835 11.244 -13.285 1.00 0.00 H new ATOM 0 HE ARG A 9 9.944 13.706 -14.301 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.840 10.487 -13.144 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.324 10.433 -14.102 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.847 13.622 -15.525 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.891 12.199 -15.443 1.00 0.00 H new ATOM 157 N SER A 10 4.641 13.704 -13.592 1.00 0.00 N ATOM 158 CA SER A 10 3.827 14.805 -14.092 1.00 0.00 C ATOM 159 C SER A 10 2.379 14.638 -13.663 1.00 0.00 C ATOM 160 O SER A 10 1.720 15.605 -13.276 1.00 0.00 O ATOM 161 CB SER A 10 3.913 14.910 -15.618 1.00 0.00 C ATOM 162 OG SER A 10 5.062 15.636 -16.017 1.00 0.00 O ATOM 0 H SER A 10 5.039 13.102 -14.312 1.00 0.00 H new ATOM 0 HA SER A 10 4.219 15.727 -13.663 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.942 13.911 -16.053 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.018 15.400 -16.003 1.00 0.00 H new ATOM 0 HG SER A 10 5.068 15.728 -16.993 1.00 0.00 H new ATOM 168 N LYS A 11 1.885 13.409 -13.725 1.00 0.00 N ATOM 169 CA LYS A 11 0.511 13.128 -13.333 1.00 0.00 C ATOM 170 C LYS A 11 0.408 12.915 -11.840 1.00 0.00 C ATOM 171 O LYS A 11 -0.579 13.294 -11.223 1.00 0.00 O ATOM 172 CB LYS A 11 -0.028 11.911 -14.087 1.00 0.00 C ATOM 173 CG LYS A 11 -0.485 12.225 -15.502 1.00 0.00 C ATOM 174 CD LYS A 11 0.692 12.315 -16.460 1.00 0.00 C ATOM 175 CE LYS A 11 0.472 13.388 -17.514 1.00 0.00 C ATOM 176 NZ LYS A 11 1.612 13.473 -18.467 1.00 0.00 N ATOM 0 H LYS A 11 2.412 12.595 -14.041 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.098 13.993 -13.596 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.747 11.146 -14.126 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.864 11.490 -13.529 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.175 11.453 -15.843 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.033 13.167 -15.508 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.602 12.534 -15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.841 11.351 -16.946 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.445 13.175 -18.063 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.334 14.353 -17.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.423 14.216 -19.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.483 13.702 -17.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.728 12.560 -18.952 1.00 0.00 H new ATOM 190 N PHE A 12 1.434 12.337 -11.253 1.00 0.00 N ATOM 191 CA PHE A 12 1.441 12.114 -9.835 1.00 0.00 C ATOM 192 C PHE A 12 1.648 13.447 -9.116 1.00 0.00 C ATOM 193 O PHE A 12 1.320 13.587 -7.938 1.00 0.00 O ATOM 194 CB PHE A 12 2.519 11.076 -9.490 1.00 0.00 C ATOM 195 CG PHE A 12 3.041 11.154 -8.091 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.851 12.201 -7.719 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.727 10.179 -7.159 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.347 12.289 -6.431 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.216 10.253 -5.868 1.00 0.00 C ATOM 200 CZ PHE A 12 4.029 11.312 -5.503 1.00 0.00 C ATOM 0 H PHE A 12 2.270 12.016 -11.741 1.00 0.00 H new ATOM 0 HA PHE A 12 0.486 11.711 -9.499 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.109 10.079 -9.655 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.353 11.196 -10.181 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.103 12.964 -8.441 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.093 9.352 -7.444 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.980 13.117 -6.150 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.965 9.488 -5.148 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.415 11.376 -4.496 1.00 0.00 H new ATOM 210 N GLU A 13 2.194 14.430 -9.843 1.00 0.00 N ATOM 211 CA GLU A 13 2.439 15.755 -9.271 1.00 0.00 C ATOM 212 C GLU A 13 1.362 16.764 -9.665 1.00 0.00 C ATOM 213 O GLU A 13 1.205 17.793 -9.012 1.00 0.00 O ATOM 214 CB GLU A 13 3.811 16.287 -9.693 1.00 0.00 C ATOM 215 CG GLU A 13 4.977 15.556 -9.045 1.00 0.00 C ATOM 216 CD GLU A 13 5.908 16.489 -8.296 1.00 0.00 C ATOM 217 OE1 GLU A 13 5.436 17.541 -7.817 1.00 0.00 O ATOM 218 OE2 GLU A 13 7.111 16.168 -8.191 1.00 0.00 O ATOM 0 H GLU A 13 2.472 14.332 -10.820 1.00 0.00 H new ATOM 0 HA GLU A 13 2.411 15.634 -8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.903 16.210 -10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.873 17.346 -9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.592 14.804 -8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.541 15.026 -9.813 1.00 0.00 H new ATOM 225 N ASN A 14 0.651 16.494 -10.757 1.00 0.00 N ATOM 226 CA ASN A 14 -0.371 17.423 -11.235 1.00 0.00 C ATOM 227 C ASN A 14 -1.790 16.898 -11.035 1.00 0.00 C ATOM 228 O ASN A 14 -2.721 17.685 -10.854 1.00 0.00 O ATOM 229 CB ASN A 14 -0.144 17.735 -12.714 1.00 0.00 C ATOM 230 CG ASN A 14 -0.634 19.118 -13.095 1.00 0.00 C ATOM 231 OD1 ASN A 14 -1.744 19.516 -12.737 1.00 0.00 O ATOM 232 ND2 ASN A 14 0.190 19.859 -13.826 1.00 0.00 N ATOM 0 H ASN A 14 0.761 15.652 -11.321 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.275 18.330 -10.639 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.919 17.654 -12.941 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.657 16.990 -13.322 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.087 20.798 -14.113 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.100 19.490 -14.100 1.00 0.00 H new ATOM 239 N GLU A 15 -1.969 15.583 -11.078 1.00 0.00 N ATOM 240 CA GLU A 15 -3.305 15.011 -10.906 1.00 0.00 C ATOM 241 C GLU A 15 -3.848 15.316 -9.510 1.00 0.00 C ATOM 242 O GLU A 15 -3.124 15.226 -8.522 1.00 0.00 O ATOM 243 CB GLU A 15 -3.287 13.507 -11.171 1.00 0.00 C ATOM 244 CG GLU A 15 -3.430 13.153 -12.640 1.00 0.00 C ATOM 245 CD GLU A 15 -3.600 11.664 -12.869 1.00 0.00 C ATOM 246 OE1 GLU A 15 -2.721 10.892 -12.432 1.00 0.00 O ATOM 247 OE2 GLU A 15 -4.613 11.270 -13.485 1.00 0.00 O ATOM 0 H GLU A 15 -1.224 14.902 -11.227 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.972 15.473 -11.634 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.353 13.090 -10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.095 13.037 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.289 13.681 -13.055 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.550 13.502 -13.181 1.00 0.00 H new ATOM 254 N GLU A 16 -5.121 15.710 -9.448 1.00 0.00 N ATOM 255 CA GLU A 16 -5.767 16.076 -8.181 1.00 0.00 C ATOM 256 C GLU A 16 -5.872 14.902 -7.212 1.00 0.00 C ATOM 257 O GLU A 16 -5.114 14.830 -6.246 1.00 0.00 O ATOM 258 CB GLU A 16 -7.151 16.685 -8.430 1.00 0.00 C ATOM 259 CG GLU A 16 -7.992 15.928 -9.444 1.00 0.00 C ATOM 260 CD GLU A 16 -8.519 16.820 -10.551 1.00 0.00 C ATOM 261 OE1 GLU A 16 -7.824 17.794 -10.910 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.625 16.544 -11.061 1.00 0.00 O ATOM 0 H GLU A 16 -5.730 15.785 -10.263 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.127 16.823 -7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.692 16.727 -7.485 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.027 17.712 -8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.394 15.128 -9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.831 15.456 -8.933 1.00 0.00 H new ATOM 269 N PHE A 17 -6.804 13.981 -7.454 1.00 0.00 N ATOM 270 CA PHE A 17 -6.967 12.829 -6.578 1.00 0.00 C ATOM 271 C PHE A 17 -5.626 12.138 -6.411 1.00 0.00 C ATOM 272 O PHE A 17 -5.300 11.627 -5.342 1.00 0.00 O ATOM 273 CB PHE A 17 -8.040 11.882 -7.150 1.00 0.00 C ATOM 274 CG PHE A 17 -7.710 10.416 -7.073 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.686 9.883 -7.836 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.429 9.573 -6.240 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.380 8.536 -7.770 1.00 0.00 C ATOM 278 CE2 PHE A 17 -8.130 8.224 -6.170 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.104 7.706 -6.935 1.00 0.00 C ATOM 0 H PHE A 17 -7.450 14.012 -8.242 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.309 13.147 -5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.975 12.056 -6.618 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.214 12.144 -8.194 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.119 10.527 -8.491 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.232 9.974 -5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.577 8.133 -8.370 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.698 7.577 -5.518 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.867 6.654 -6.881 1.00 0.00 H new ATOM 289 N PHE A 18 -4.857 12.139 -7.484 1.00 0.00 N ATOM 290 CA PHE A 18 -3.555 11.528 -7.490 1.00 0.00 C ATOM 291 C PHE A 18 -2.615 12.331 -6.600 1.00 0.00 C ATOM 292 O PHE A 18 -1.672 11.786 -6.043 1.00 0.00 O ATOM 293 CB PHE A 18 -3.058 11.518 -8.923 1.00 0.00 C ATOM 294 CG PHE A 18 -2.253 10.324 -9.281 1.00 0.00 C ATOM 295 CD1 PHE A 18 -0.981 10.117 -8.792 1.00 0.00 C ATOM 296 CD2 PHE A 18 -2.809 9.399 -10.130 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.268 8.988 -9.156 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.112 8.269 -10.502 1.00 0.00 C ATOM 299 CZ PHE A 18 -0.837 8.062 -10.015 1.00 0.00 C ATOM 0 H PHE A 18 -5.124 12.565 -8.372 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.598 10.509 -7.106 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.916 11.578 -9.593 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.457 12.411 -9.093 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.539 10.839 -8.122 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.807 9.559 -10.512 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.729 8.829 -8.772 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.561 7.550 -11.171 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.284 7.180 -10.303 1.00 0.00 H new ATOM 309 N ARG A 19 -2.900 13.629 -6.458 1.00 0.00 N ATOM 310 CA ARG A 19 -2.095 14.504 -5.612 1.00 0.00 C ATOM 311 C ARG A 19 -2.539 14.372 -4.161 1.00 0.00 C ATOM 312 O ARG A 19 -1.773 13.922 -3.300 1.00 0.00 O ATOM 313 CB ARG A 19 -2.232 15.965 -6.056 1.00 0.00 C ATOM 314 CG ARG A 19 -1.104 16.439 -6.960 1.00 0.00 C ATOM 315 CD ARG A 19 -0.520 17.757 -6.477 1.00 0.00 C ATOM 316 NE ARG A 19 -1.466 18.860 -6.618 1.00 0.00 N ATOM 317 CZ ARG A 19 -1.127 20.145 -6.530 1.00 0.00 C ATOM 318 NH1 ARG A 19 0.133 20.490 -6.301 1.00 0.00 N ATOM 319 NH2 ARG A 19 -2.051 21.086 -6.673 1.00 0.00 N ATOM 0 H ARG A 19 -3.682 14.093 -6.919 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.051 14.205 -5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.181 16.089 -6.578 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.269 16.602 -5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.320 15.682 -6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.476 16.556 -7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.227 17.662 -5.431 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.385 17.981 -7.042 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.445 18.633 -6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.847 19.770 -6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.388 21.475 -6.234 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.021 20.825 -6.850 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.791 22.070 -6.606 1.00 0.00 H new ATOM 333 N LYS A 20 -3.797 14.743 -3.893 1.00 0.00 N ATOM 334 CA LYS A 20 -4.341 14.641 -2.542 1.00 0.00 C ATOM 335 C LYS A 20 -4.041 13.262 -1.973 1.00 0.00 C ATOM 336 O LYS A 20 -3.848 13.101 -0.768 1.00 0.00 O ATOM 337 CB LYS A 20 -5.848 14.918 -2.523 1.00 0.00 C ATOM 338 CG LYS A 20 -6.618 14.241 -3.642 1.00 0.00 C ATOM 339 CD LYS A 20 -7.632 15.186 -4.278 1.00 0.00 C ATOM 340 CE LYS A 20 -9.029 14.586 -4.285 1.00 0.00 C ATOM 341 NZ LYS A 20 -9.888 15.168 -3.217 1.00 0.00 N ATOM 0 H LYS A 20 -4.447 15.112 -4.587 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.863 15.398 -1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.255 14.589 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.009 15.994 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.921 13.889 -4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.133 13.364 -3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.643 16.129 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.328 15.413 -5.300 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.492 14.756 -5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.961 13.507 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.832 14.733 -3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.459 14.984 -2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.974 16.194 -3.361 1.00 0.00 H new ATOM 355 N LEU A 21 -3.962 12.273 -2.862 1.00 0.00 N ATOM 356 CA LEU A 21 -3.637 10.914 -2.451 1.00 0.00 C ATOM 357 C LEU A 21 -2.122 10.723 -2.468 1.00 0.00 C ATOM 358 O LEU A 21 -1.566 10.037 -1.611 1.00 0.00 O ATOM 359 CB LEU A 21 -4.305 9.884 -3.366 1.00 0.00 C ATOM 360 CG LEU A 21 -5.826 9.759 -3.228 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.304 8.469 -3.866 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.246 9.810 -1.768 1.00 0.00 C ATOM 0 H LEU A 21 -4.118 12.389 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.014 10.761 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.072 10.139 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.860 8.909 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.286 10.602 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.386 8.391 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.040 8.467 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.830 7.621 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.330 9.719 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.777 8.989 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.932 10.759 -1.332 1.00 0.00 H new ATOM 374 N SER A 22 -1.453 11.364 -3.434 1.00 0.00 N ATOM 375 CA SER A 22 0.007 11.288 -3.541 1.00 0.00 C ATOM 376 C SER A 22 0.670 11.738 -2.243 1.00 0.00 C ATOM 377 O SER A 22 1.863 11.522 -2.037 1.00 0.00 O ATOM 378 CB SER A 22 0.521 12.153 -4.694 1.00 0.00 C ATOM 379 OG SER A 22 0.674 11.393 -5.882 1.00 0.00 O ATOM 0 H SER A 22 -1.898 11.939 -4.150 1.00 0.00 H new ATOM 0 HA SER A 22 0.264 10.247 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.173 12.974 -4.872 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.477 12.598 -4.419 1.00 0.00 H new ATOM 0 HG SER A 22 1.411 10.757 -5.771 1.00 0.00 H new ATOM 385 N ARG A 23 -0.106 12.377 -1.376 1.00 0.00 N ATOM 386 CA ARG A 23 0.415 12.859 -0.108 1.00 0.00 C ATOM 387 C ARG A 23 0.083 11.877 1.009 1.00 0.00 C ATOM 388 O ARG A 23 -0.302 10.734 0.748 1.00 0.00 O ATOM 389 CB ARG A 23 -0.176 14.235 0.207 1.00 0.00 C ATOM 390 CG ARG A 23 -0.280 15.147 -1.007 1.00 0.00 C ATOM 391 CD ARG A 23 0.898 16.104 -1.089 1.00 0.00 C ATOM 392 NE ARG A 23 0.516 17.473 -0.749 1.00 0.00 N ATOM 393 CZ ARG A 23 1.243 18.544 -1.062 1.00 0.00 C ATOM 394 NH1 ARG A 23 2.388 18.410 -1.719 1.00 0.00 N ATOM 395 NH2 ARG A 23 0.823 19.754 -0.716 1.00 0.00 N ATOM 0 H ARG A 23 -1.095 12.572 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 23 1.499 12.946 -0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.168 14.105 0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.440 14.721 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.323 14.544 -1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.209 15.715 -0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.685 15.769 -0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.313 16.083 -2.097 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.358 17.616 -0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.716 17.482 -1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.940 19.235 -1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.056 19.863 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.379 20.575 -0.955 1.00 0.00 H new ATOM 409 N GLU A 24 0.257 12.321 2.248 1.00 0.00 N ATOM 410 CA GLU A 24 -0.006 11.477 3.412 1.00 0.00 C ATOM 411 C GLU A 24 -1.208 11.983 4.206 1.00 0.00 C ATOM 412 O GLU A 24 -1.397 13.189 4.362 1.00 0.00 O ATOM 413 CB GLU A 24 1.227 11.431 4.316 1.00 0.00 C ATOM 414 CG GLU A 24 1.638 12.793 4.852 1.00 0.00 C ATOM 415 CD GLU A 24 2.973 12.758 5.572 1.00 0.00 C ATOM 416 OE1 GLU A 24 4.016 12.779 4.887 1.00 0.00 O ATOM 417 OE2 GLU A 24 2.973 12.711 6.819 1.00 0.00 O ATOM 0 H GLU A 24 0.579 13.262 2.475 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.233 10.473 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.028 10.764 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.060 11.002 3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.693 13.503 4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.871 13.157 5.535 1.00 0.00 H new ATOM 424 N CYS A 25 -2.012 11.051 4.712 1.00 0.00 N ATOM 425 CA CYS A 25 -3.190 11.403 5.497 1.00 0.00 C ATOM 426 C CYS A 25 -3.509 10.321 6.527 1.00 0.00 C ATOM 427 O CYS A 25 -2.681 9.456 6.811 1.00 0.00 O ATOM 428 CB CYS A 25 -4.395 11.645 4.578 1.00 0.00 C ATOM 429 SG CYS A 25 -5.331 10.155 4.151 1.00 0.00 S ATOM 0 H CYS A 25 -1.869 10.048 4.592 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.973 12.325 6.036 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.067 12.354 5.062 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.045 12.114 3.658 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.308 9.982 2.863 1.00 0.00 H new ATOM 435 N GLU A 26 -4.716 10.380 7.079 1.00 0.00 N ATOM 436 CA GLU A 26 -5.150 9.411 8.074 1.00 0.00 C ATOM 437 C GLU A 26 -5.879 8.241 7.419 1.00 0.00 C ATOM 438 O GLU A 26 -6.848 8.428 6.681 1.00 0.00 O ATOM 439 CB GLU A 26 -6.059 10.082 9.105 1.00 0.00 C ATOM 440 CG GLU A 26 -5.550 11.435 9.577 1.00 0.00 C ATOM 441 CD GLU A 26 -5.566 11.571 11.088 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.290 10.795 11.746 1.00 0.00 O ATOM 443 OE2 GLU A 26 -4.856 12.454 11.612 1.00 0.00 O ATOM 0 H GLU A 26 -5.411 11.091 6.852 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.264 9.024 8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.052 10.207 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.166 9.423 9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.533 11.583 9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.163 12.223 9.139 1.00 0.00 H new ATOM 450 N ILE A 27 -5.407 7.034 7.702 1.00 0.00 N ATOM 451 CA ILE A 27 -6.014 5.827 7.152 1.00 0.00 C ATOM 452 C ILE A 27 -6.748 5.046 8.239 1.00 0.00 C ATOM 453 O ILE A 27 -6.400 5.128 9.416 1.00 0.00 O ATOM 454 CB ILE A 27 -4.966 4.909 6.493 1.00 0.00 C ATOM 455 CG1 ILE A 27 -3.916 4.466 7.514 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.306 5.618 5.319 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.280 3.132 7.186 1.00 0.00 C ATOM 0 H ILE A 27 -4.605 6.864 8.309 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.723 6.149 6.390 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.473 4.019 6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.137 5.226 7.575 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.380 4.406 8.498 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.568 4.958 4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.063 5.881 4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.813 6.524 5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.546 2.881 7.952 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.049 2.360 7.154 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.786 3.193 6.216 1.00 0.00 H new ATOM 469 N LYS A 28 -7.764 4.291 7.837 1.00 0.00 N ATOM 470 CA LYS A 28 -8.544 3.496 8.784 1.00 0.00 C ATOM 471 C LYS A 28 -8.725 2.070 8.278 1.00 0.00 C ATOM 472 O LYS A 28 -8.580 1.808 7.086 1.00 0.00 O ATOM 473 CB LYS A 28 -9.910 4.142 9.022 1.00 0.00 C ATOM 474 CG LYS A 28 -10.755 4.260 7.765 1.00 0.00 C ATOM 475 CD LYS A 28 -12.212 4.540 8.097 1.00 0.00 C ATOM 476 CE LYS A 28 -12.974 5.046 6.883 1.00 0.00 C ATOM 477 NZ LYS A 28 -12.227 6.117 6.166 1.00 0.00 N ATOM 0 H LYS A 28 -8.068 4.211 6.867 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.997 3.461 9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.455 3.557 9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.764 5.136 9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.364 5.060 7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.683 3.337 7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.682 3.630 8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.268 5.278 8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.163 4.217 6.201 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.945 5.429 7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.821 6.506 5.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.979 6.874 6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.358 5.719 5.756 1.00 0.00 H new ATOM 491 N TYR A 29 -9.033 1.145 9.183 1.00 0.00 N ATOM 492 CA TYR A 29 -9.220 -0.250 8.799 1.00 0.00 C ATOM 493 C TYR A 29 -10.659 -0.544 8.390 1.00 0.00 C ATOM 494 O TYR A 29 -11.609 -0.048 8.996 1.00 0.00 O ATOM 495 CB TYR A 29 -8.804 -1.193 9.924 1.00 0.00 C ATOM 496 CG TYR A 29 -8.635 -2.619 9.454 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.643 -2.950 8.540 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.473 -3.629 9.908 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.489 -4.247 8.094 1.00 0.00 C ATOM 500 CE2 TYR A 29 -9.325 -4.929 9.466 1.00 0.00 C ATOM 501 CZ TYR A 29 -8.331 -5.233 8.559 1.00 0.00 C ATOM 502 OH TYR A 29 -8.179 -6.525 8.117 1.00 0.00 O ATOM 0 H TYR A 29 -9.157 1.334 10.178 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.579 -0.422 7.934 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.867 -0.844 10.358 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.553 -1.161 10.715 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.981 -2.180 8.172 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.252 -3.394 10.618 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.712 -4.488 7.384 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.984 -5.704 9.829 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.919 -6.754 7.517 1.00 0.00 H new ATOM 512 N THR A 30 -10.798 -1.373 7.361 1.00 0.00 N ATOM 513 CA THR A 30 -12.102 -1.774 6.851 1.00 0.00 C ATOM 514 C THR A 30 -12.017 -3.199 6.288 1.00 0.00 C ATOM 515 O THR A 30 -11.732 -4.138 7.030 1.00 0.00 O ATOM 516 CB THR A 30 -12.592 -0.779 5.793 1.00 0.00 C ATOM 517 OG1 THR A 30 -11.569 -0.502 4.853 1.00 0.00 O ATOM 518 CG2 THR A 30 -13.046 0.539 6.382 1.00 0.00 C ATOM 0 H THR A 30 -10.011 -1.784 6.859 1.00 0.00 H new ATOM 0 HA THR A 30 -12.828 -1.769 7.664 1.00 0.00 H new ATOM 0 HB THR A 30 -13.446 -1.259 5.314 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.956 -0.452 3.954 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.381 1.199 5.582 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.868 0.364 7.076 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.216 1.005 6.914 1.00 0.00 H new ATOM 526 N GLY A 31 -12.234 -3.359 4.982 1.00 0.00 N ATOM 527 CA GLY A 31 -12.145 -4.673 4.368 1.00 0.00 C ATOM 528 C GLY A 31 -13.133 -5.681 4.928 1.00 0.00 C ATOM 529 O GLY A 31 -14.111 -6.028 4.266 1.00 0.00 O ATOM 0 H GLY A 31 -12.469 -2.602 4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.310 -4.574 3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.134 -5.058 4.501 1.00 0.00 H new ATOM 533 N PHE A 32 -12.869 -6.170 6.137 1.00 0.00 N ATOM 534 CA PHE A 32 -13.736 -7.164 6.763 1.00 0.00 C ATOM 535 C PHE A 32 -13.937 -6.872 8.245 1.00 0.00 C ATOM 536 O PHE A 32 -14.150 -7.785 9.039 1.00 0.00 O ATOM 537 CB PHE A 32 -13.139 -8.568 6.592 1.00 0.00 C ATOM 538 CG PHE A 32 -11.634 -8.587 6.508 1.00 0.00 C ATOM 539 CD1 PHE A 32 -10.994 -8.379 5.295 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.860 -8.810 7.638 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.615 -8.393 5.211 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.477 -8.825 7.560 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.856 -8.617 6.344 1.00 0.00 C ATOM 0 H PHE A 32 -12.065 -5.895 6.701 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.707 -7.116 6.270 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.454 -9.190 7.430 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.549 -9.019 5.688 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.581 -8.204 4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.342 -8.974 8.590 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.130 -8.229 4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.886 -8.999 8.447 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.778 -8.629 6.279 1.00 0.00 H new ATOM 553 N ARG A 33 -13.862 -5.600 8.615 1.00 0.00 N ATOM 554 CA ARG A 33 -14.029 -5.203 10.006 1.00 0.00 C ATOM 555 C ARG A 33 -15.488 -4.933 10.351 1.00 0.00 C ATOM 556 O ARG A 33 -15.845 -4.805 11.522 1.00 0.00 O ATOM 557 CB ARG A 33 -13.177 -3.976 10.294 1.00 0.00 C ATOM 558 CG ARG A 33 -13.701 -2.694 9.668 1.00 0.00 C ATOM 559 CD ARG A 33 -14.835 -2.094 10.480 1.00 0.00 C ATOM 560 NE ARG A 33 -14.534 -0.732 10.918 1.00 0.00 N ATOM 561 CZ ARG A 33 -15.382 0.030 11.604 1.00 0.00 C ATOM 562 NH1 ARG A 33 -16.583 -0.430 11.932 1.00 0.00 N ATOM 563 NH2 ARG A 33 -15.027 1.256 11.966 1.00 0.00 N ATOM 0 H ARG A 33 -13.687 -4.827 7.972 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.700 -6.031 10.634 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.110 -3.839 11.373 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.165 -4.157 9.932 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.890 -1.971 9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.048 -2.899 8.655 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.746 -2.089 9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.028 -2.720 11.351 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.621 -0.343 10.684 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.860 -1.373 11.658 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.229 0.159 12.458 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.104 1.614 11.718 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.677 1.841 12.492 1.00 0.00 H new ATOM 577 N ASP A 34 -16.326 -4.848 9.329 1.00 0.00 N ATOM 578 CA ASP A 34 -17.752 -4.594 9.525 1.00 0.00 C ATOM 579 C ASP A 34 -18.346 -5.567 10.545 1.00 0.00 C ATOM 580 O ASP A 34 -19.394 -5.302 11.135 1.00 0.00 O ATOM 581 CB ASP A 34 -18.499 -4.710 8.195 1.00 0.00 C ATOM 582 CG ASP A 34 -19.875 -4.074 8.247 1.00 0.00 C ATOM 583 OD1 ASP A 34 -20.091 -3.196 9.108 1.00 0.00 O ATOM 584 OD2 ASP A 34 -20.736 -4.456 7.427 1.00 0.00 O ATOM 0 H ASP A 34 -16.047 -4.951 8.353 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.865 -3.581 9.910 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.912 -4.235 7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.598 -5.762 7.928 1.00 0.00 H new ATOM 589 N ARG A 35 -17.661 -6.688 10.755 1.00 0.00 N ATOM 590 CA ARG A 35 -18.100 -7.695 11.710 1.00 0.00 C ATOM 591 C ARG A 35 -17.285 -7.540 13.021 1.00 0.00 C ATOM 592 O ARG A 35 -17.266 -6.434 13.561 1.00 0.00 O ATOM 593 CB ARG A 35 -18.011 -9.080 11.055 1.00 0.00 C ATOM 594 CG ARG A 35 -16.767 -9.282 10.199 1.00 0.00 C ATOM 595 CD ARG A 35 -16.950 -8.714 8.801 1.00 0.00 C ATOM 596 NE ARG A 35 -16.686 -9.708 7.764 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.132 -9.613 6.513 1.00 0.00 C ATOM 598 NH1 ARG A 35 -17.856 -8.566 6.136 1.00 0.00 N ATOM 599 NH2 ARG A 35 -16.849 -10.566 5.635 1.00 0.00 N ATOM 0 H ARG A 35 -16.794 -6.921 10.271 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.145 -7.564 11.991 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.030 -9.841 11.835 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -18.895 -9.235 10.436 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -15.913 -8.802 10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -16.539 -10.346 10.133 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.968 -8.340 8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.282 -7.864 8.666 1.00 0.00 H new ATOM 0 HE ARG A 35 -16.127 -10.524 8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.074 -7.828 6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.195 -8.499 5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.290 -11.371 5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.190 -10.494 4.676 1.00 0.00 H new ATOM 613 N PRO A 36 -16.592 -8.571 13.588 1.00 0.00 N ATOM 614 CA PRO A 36 -15.833 -8.364 14.827 1.00 0.00 C ATOM 615 C PRO A 36 -14.522 -7.620 14.582 1.00 0.00 C ATOM 616 O PRO A 36 -13.455 -8.230 14.506 1.00 0.00 O ATOM 617 CB PRO A 36 -15.563 -9.781 15.323 1.00 0.00 C ATOM 618 CG PRO A 36 -15.499 -10.597 14.084 1.00 0.00 C ATOM 619 CD PRO A 36 -16.471 -9.971 13.118 1.00 0.00 C ATOM 0 HA PRO A 36 -16.379 -7.750 15.543 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.630 -9.835 15.884 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.355 -10.128 15.987 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.490 -10.602 13.673 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.765 -11.634 14.287 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.102 -10.018 12.094 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.434 -10.482 13.133 1.00 0.00 H new ATOM 627 N HIS A 37 -14.613 -6.298 14.459 1.00 0.00 N ATOM 628 CA HIS A 37 -13.440 -5.458 14.220 1.00 0.00 C ATOM 629 C HIS A 37 -12.321 -5.779 15.214 1.00 0.00 C ATOM 630 O HIS A 37 -11.151 -5.890 14.839 1.00 0.00 O ATOM 631 CB HIS A 37 -13.837 -3.979 14.312 1.00 0.00 C ATOM 632 CG HIS A 37 -12.684 -3.021 14.277 1.00 0.00 C ATOM 633 ND1 HIS A 37 -11.951 -2.692 15.397 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.154 -2.294 13.259 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.028 -1.807 15.073 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.128 -1.547 13.782 1.00 0.00 N ATOM 0 H HIS A 37 -15.491 -5.782 14.521 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.062 -5.664 13.219 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.512 -3.745 13.489 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.395 -3.823 15.235 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.099 -3.074 16.331 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.480 -2.302 12.229 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.310 -1.368 15.750 1.00 0.00 H new ATOM 645 N GLU A 38 -12.692 -5.934 16.482 1.00 0.00 N ATOM 646 CA GLU A 38 -11.725 -6.245 17.532 1.00 0.00 C ATOM 647 C GLU A 38 -10.925 -7.497 17.189 1.00 0.00 C ATOM 648 O GLU A 38 -9.772 -7.638 17.597 1.00 0.00 O ATOM 649 CB GLU A 38 -12.434 -6.429 18.875 1.00 0.00 C ATOM 650 CG GLU A 38 -13.567 -7.442 18.830 1.00 0.00 C ATOM 651 CD GLU A 38 -13.145 -8.812 19.323 1.00 0.00 C ATOM 652 OE1 GLU A 38 -12.429 -9.516 18.580 1.00 0.00 O ATOM 653 OE2 GLU A 38 -13.528 -9.181 20.453 1.00 0.00 O ATOM 0 H GLU A 38 -13.655 -5.849 16.808 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.033 -5.406 17.608 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.705 -6.744 19.621 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.830 -5.468 19.202 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.396 -7.081 19.438 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.934 -7.525 17.807 1.00 0.00 H new ATOM 660 N GLU A 39 -11.526 -8.387 16.410 1.00 0.00 N ATOM 661 CA GLU A 39 -10.849 -9.603 15.983 1.00 0.00 C ATOM 662 C GLU A 39 -10.041 -9.279 14.750 1.00 0.00 C ATOM 663 O GLU A 39 -8.924 -9.762 14.561 1.00 0.00 O ATOM 664 CB GLU A 39 -11.849 -10.715 15.677 1.00 0.00 C ATOM 665 CG GLU A 39 -11.402 -12.086 16.156 1.00 0.00 C ATOM 666 CD GLU A 39 -11.056 -12.102 17.632 1.00 0.00 C ATOM 667 OE1 GLU A 39 -11.981 -11.968 18.461 1.00 0.00 O ATOM 668 OE2 GLU A 39 -9.860 -12.250 17.960 1.00 0.00 O ATOM 0 H GLU A 39 -12.480 -8.289 16.062 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.202 -9.959 16.784 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.804 -10.471 16.142 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.019 -10.753 14.601 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.194 -12.810 15.964 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.533 -12.403 15.579 1.00 0.00 H new ATOM 675 N ARG A 40 -10.629 -8.425 13.926 1.00 0.00 N ATOM 676 CA ARG A 40 -10.002 -7.974 12.707 1.00 0.00 C ATOM 677 C ARG A 40 -8.634 -7.386 13.009 1.00 0.00 C ATOM 678 O ARG A 40 -7.754 -7.365 12.150 1.00 0.00 O ATOM 679 CB ARG A 40 -10.896 -6.948 12.030 1.00 0.00 C ATOM 680 CG ARG A 40 -11.645 -7.512 10.837 1.00 0.00 C ATOM 681 CD ARG A 40 -12.783 -8.419 11.282 1.00 0.00 C ATOM 682 NE ARG A 40 -12.933 -9.581 10.406 1.00 0.00 N ATOM 683 CZ ARG A 40 -12.946 -10.845 10.833 1.00 0.00 C ATOM 684 NH1 ARG A 40 -12.825 -11.127 12.125 1.00 0.00 N ATOM 685 NH2 ARG A 40 -13.085 -11.833 9.960 1.00 0.00 N ATOM 0 H ARG A 40 -11.555 -8.029 14.090 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.864 -8.819 12.033 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.614 -6.565 12.755 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.289 -6.103 11.705 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.042 -6.695 10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.957 -8.071 10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.600 -8.756 12.302 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.714 -7.852 11.295 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.034 -9.414 9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.721 -10.373 12.804 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.837 -12.098 12.438 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.181 -11.625 8.966 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.095 -12.801 10.282 1.00 0.00 H new ATOM 699 N GLN A 41 -8.450 -6.930 14.247 1.00 0.00 N ATOM 700 CA GLN A 41 -7.167 -6.374 14.654 1.00 0.00 C ATOM 701 C GLN A 41 -6.085 -7.416 14.410 1.00 0.00 C ATOM 702 O GLN A 41 -4.993 -7.108 13.926 1.00 0.00 O ATOM 703 CB GLN A 41 -7.190 -5.947 16.130 1.00 0.00 C ATOM 704 CG GLN A 41 -7.145 -7.101 17.123 1.00 0.00 C ATOM 705 CD GLN A 41 -5.737 -7.425 17.583 1.00 0.00 C ATOM 706 OE1 GLN A 41 -4.823 -7.579 16.773 1.00 0.00 O ATOM 707 NE2 GLN A 41 -5.553 -7.533 18.894 1.00 0.00 N ATOM 0 H GLN A 41 -9.165 -6.935 14.975 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.958 -5.481 14.065 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.341 -5.289 16.318 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.092 -5.363 16.312 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.758 -6.853 17.990 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.585 -7.986 16.665 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.337 -7.398 19.532 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.627 -7.751 19.263 1.00 0.00 H new ATOM 716 N THR A 42 -6.426 -8.665 14.714 1.00 0.00 N ATOM 717 CA THR A 42 -5.524 -9.779 14.499 1.00 0.00 C ATOM 718 C THR A 42 -5.659 -10.265 13.068 1.00 0.00 C ATOM 719 O THR A 42 -4.688 -10.717 12.463 1.00 0.00 O ATOM 720 CB THR A 42 -5.815 -10.915 15.478 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.042 -10.408 16.781 1.00 0.00 O ATOM 722 CG2 THR A 42 -4.692 -11.925 15.566 1.00 0.00 C ATOM 0 H THR A 42 -7.328 -8.926 15.112 1.00 0.00 H new ATOM 0 HA THR A 42 -4.502 -9.444 14.674 1.00 0.00 H new ATOM 0 HB THR A 42 -6.703 -11.414 15.090 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.228 -11.150 17.393 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.960 -12.706 16.278 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.525 -12.370 14.585 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.781 -11.428 15.899 1.00 0.00 H new ATOM 730 N ARG A 43 -6.865 -10.148 12.512 1.00 0.00 N ATOM 731 CA ARG A 43 -7.075 -10.559 11.131 1.00 0.00 C ATOM 732 C ARG A 43 -6.205 -9.706 10.220 1.00 0.00 C ATOM 733 O ARG A 43 -5.694 -10.178 9.205 1.00 0.00 O ATOM 734 CB ARG A 43 -8.542 -10.426 10.724 1.00 0.00 C ATOM 735 CG ARG A 43 -9.503 -11.179 11.629 1.00 0.00 C ATOM 736 CD ARG A 43 -9.112 -12.641 11.766 1.00 0.00 C ATOM 737 NE ARG A 43 -9.014 -13.306 10.469 1.00 0.00 N ATOM 738 CZ ARG A 43 -8.545 -14.541 10.301 1.00 0.00 C ATOM 739 NH1 ARG A 43 -8.129 -15.248 11.345 1.00 0.00 N ATOM 740 NH2 ARG A 43 -8.490 -15.070 9.086 1.00 0.00 N ATOM 0 H ARG A 43 -7.691 -9.781 12.986 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.800 -11.609 11.037 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.814 -9.370 10.720 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.660 -10.789 9.703 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.518 -10.712 12.614 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.514 -11.108 11.227 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.155 -12.713 12.283 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.848 -13.157 12.383 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.323 -12.794 9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.168 -14.846 12.281 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.771 -16.193 11.211 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.807 -14.531 8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.131 -16.016 8.957 1.00 0.00 H new ATOM 754 N PHE A 44 -6.021 -8.447 10.614 1.00 0.00 N ATOM 755 CA PHE A 44 -5.197 -7.522 9.862 1.00 0.00 C ATOM 756 C PHE A 44 -3.725 -7.873 10.065 1.00 0.00 C ATOM 757 O PHE A 44 -3.005 -8.148 9.106 1.00 0.00 O ATOM 758 CB PHE A 44 -5.482 -6.088 10.313 1.00 0.00 C ATOM 759 CG PHE A 44 -4.263 -5.224 10.382 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.683 -4.733 9.227 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.696 -4.918 11.602 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.553 -3.945 9.288 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.564 -4.129 11.674 1.00 0.00 C ATOM 764 CZ PHE A 44 -1.991 -3.641 10.514 1.00 0.00 C ATOM 0 H PHE A 44 -6.437 -8.049 11.456 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.432 -7.599 8.800 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.198 -5.636 9.626 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.955 -6.113 11.295 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.119 -4.969 8.268 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.141 -5.299 12.509 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.108 -3.566 8.380 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.128 -3.894 12.634 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.106 -3.024 10.566 1.00 0.00 H new ATOM 774 N GLN A 45 -3.288 -7.879 11.328 1.00 0.00 N ATOM 775 CA GLN A 45 -1.906 -8.220 11.651 1.00 0.00 C ATOM 776 C GLN A 45 -1.570 -9.609 11.113 1.00 0.00 C ATOM 777 O GLN A 45 -0.413 -9.915 10.821 1.00 0.00 O ATOM 778 CB GLN A 45 -1.675 -8.157 13.169 1.00 0.00 C ATOM 779 CG GLN A 45 -2.126 -9.401 13.921 1.00 0.00 C ATOM 780 CD GLN A 45 -1.051 -10.467 13.981 1.00 0.00 C ATOM 781 OE1 GLN A 45 -1.265 -11.605 13.562 1.00 0.00 O ATOM 782 NE2 GLN A 45 0.115 -10.104 14.504 1.00 0.00 N ATOM 0 H GLN A 45 -3.869 -7.653 12.135 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.246 -7.493 11.177 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.613 -7.997 13.357 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.203 -7.292 13.570 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.414 -9.124 14.935 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.013 -9.811 13.438 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.249 -9.150 14.839 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.877 -10.779 14.570 1.00 0.00 H new ATOM 791 N ASN A 46 -2.604 -10.432 10.962 1.00 0.00 N ATOM 792 CA ASN A 46 -2.449 -11.782 10.431 1.00 0.00 C ATOM 793 C ASN A 46 -2.444 -11.734 8.909 1.00 0.00 C ATOM 794 O ASN A 46 -1.859 -12.591 8.247 1.00 0.00 O ATOM 795 CB ASN A 46 -3.577 -12.690 10.927 1.00 0.00 C ATOM 796 CG ASN A 46 -3.352 -14.143 10.557 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.419 -14.514 9.385 1.00 0.00 O ATOM 798 ND2 ASN A 46 -3.086 -14.974 11.557 1.00 0.00 N ATOM 0 H ASN A 46 -3.564 -10.185 11.202 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.502 -12.192 10.782 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.661 -12.602 12.010 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.524 -12.353 10.505 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.927 -15.964 11.369 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.040 -14.623 12.514 1.00 0.00 H new ATOM 805 N ALA A 47 -3.073 -10.698 8.365 1.00 0.00 N ATOM 806 CA ALA A 47 -3.118 -10.495 6.929 1.00 0.00 C ATOM 807 C ALA A 47 -1.763 -9.992 6.470 1.00 0.00 C ATOM 808 O ALA A 47 -1.308 -10.298 5.369 1.00 0.00 O ATOM 809 CB ALA A 47 -4.215 -9.507 6.554 1.00 0.00 C ATOM 0 H ALA A 47 -3.561 -9.983 8.905 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.347 -11.439 6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.229 -9.372 5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.180 -9.892 6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.023 -8.549 7.037 1.00 0.00 H new ATOM 815 N CYS A 48 -1.103 -9.246 7.356 1.00 0.00 N ATOM 816 CA CYS A 48 0.228 -8.734 7.069 1.00 0.00 C ATOM 817 C CYS A 48 1.185 -9.903 6.907 1.00 0.00 C ATOM 818 O CYS A 48 2.232 -9.785 6.272 1.00 0.00 O ATOM 819 CB CYS A 48 0.705 -7.807 8.188 1.00 0.00 C ATOM 820 SG CYS A 48 -0.275 -6.297 8.362 1.00 0.00 S ATOM 0 H CYS A 48 -1.469 -8.986 8.272 1.00 0.00 H new ATOM 0 HA CYS A 48 0.198 -8.156 6.146 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.683 -8.352 9.131 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.744 -7.534 8.001 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.495 -6.607 8.686 1.00 0.00 H new ATOM 826 N ARG A 49 0.795 -11.048 7.467 1.00 0.00 N ATOM 827 CA ARG A 49 1.599 -12.255 7.362 1.00 0.00 C ATOM 828 C ARG A 49 1.460 -12.840 5.955 1.00 0.00 C ATOM 829 O ARG A 49 2.333 -13.565 5.481 1.00 0.00 O ATOM 830 CB ARG A 49 1.177 -13.272 8.433 1.00 0.00 C ATOM 831 CG ARG A 49 1.134 -14.716 7.953 1.00 0.00 C ATOM 832 CD ARG A 49 0.868 -15.679 9.100 1.00 0.00 C ATOM 833 NE ARG A 49 2.043 -16.485 9.422 1.00 0.00 N ATOM 834 CZ ARG A 49 2.419 -17.560 8.733 1.00 0.00 C ATOM 835 NH1 ARG A 49 1.716 -17.960 7.680 1.00 0.00 N ATOM 836 NH2 ARG A 49 3.498 -18.237 9.097 1.00 0.00 N ATOM 0 H ARG A 49 -0.070 -11.160 7.995 1.00 0.00 H new ATOM 0 HA ARG A 49 2.647 -12.010 7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.868 -13.203 9.273 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.191 -12.998 8.807 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.356 -14.826 7.197 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.081 -14.970 7.476 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.562 -15.116 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.039 -16.336 8.837 1.00 0.00 H new ATOM 0 HE ARG A 49 2.610 -16.207 10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.884 -17.443 7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.008 -18.784 7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.041 -17.935 9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.786 -19.061 8.569 1.00 0.00 H new ATOM 850 N ASP A 50 0.352 -12.504 5.293 1.00 0.00 N ATOM 851 CA ASP A 50 0.089 -12.974 3.939 1.00 0.00 C ATOM 852 C ASP A 50 0.353 -11.869 2.914 1.00 0.00 C ATOM 853 O ASP A 50 0.125 -12.054 1.719 1.00 0.00 O ATOM 854 CB ASP A 50 -1.357 -13.461 3.818 1.00 0.00 C ATOM 855 CG ASP A 50 -1.643 -14.647 4.719 1.00 0.00 C ATOM 856 OD1 ASP A 50 -1.519 -14.499 5.953 1.00 0.00 O ATOM 857 OD2 ASP A 50 -1.995 -15.723 4.190 1.00 0.00 O ATOM 0 H ASP A 50 -0.379 -11.905 5.678 1.00 0.00 H new ATOM 0 HA ASP A 50 0.765 -13.804 3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.035 -12.645 4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.560 -13.737 2.783 1.00 0.00 H new ATOM 862 N GLY A 51 0.843 -10.724 3.388 1.00 0.00 N ATOM 863 CA GLY A 51 1.141 -9.612 2.501 1.00 0.00 C ATOM 864 C GLY A 51 -0.088 -9.051 1.811 1.00 0.00 C ATOM 865 O GLY A 51 -0.022 -8.648 0.652 1.00 0.00 O ATOM 0 H GLY A 51 1.039 -10.548 4.373 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.622 -8.819 3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.856 -9.940 1.746 1.00 0.00 H new ATOM 869 N ARG A 52 -1.211 -9.022 2.521 1.00 0.00 N ATOM 870 CA ARG A 52 -2.453 -8.501 1.962 1.00 0.00 C ATOM 871 C ARG A 52 -3.364 -7.906 3.026 1.00 0.00 C ATOM 872 O ARG A 52 -3.688 -8.554 4.021 1.00 0.00 O ATOM 873 CB ARG A 52 -3.190 -9.602 1.217 1.00 0.00 C ATOM 874 CG ARG A 52 -2.685 -9.775 -0.194 1.00 0.00 C ATOM 875 CD ARG A 52 -2.154 -11.179 -0.437 1.00 0.00 C ATOM 876 NE ARG A 52 -3.159 -12.049 -1.043 1.00 0.00 N ATOM 877 CZ ARG A 52 -3.916 -12.910 -0.362 1.00 0.00 C ATOM 878 NH1 ARG A 52 -3.793 -13.025 0.954 1.00 0.00 N ATOM 879 NH2 ARG A 52 -4.802 -13.660 -1.003 1.00 0.00 N ATOM 0 H ARG A 52 -1.287 -9.353 3.483 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.184 -7.699 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.079 -10.542 1.758 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.255 -9.372 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.491 -9.565 -0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.895 -9.049 -0.389 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.280 -11.128 -1.086 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.824 -11.610 0.508 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.290 -11.994 -2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.114 -12.452 1.455 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.377 -13.687 1.465 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.903 -13.578 -2.015 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.382 -14.319 -0.484 1.00 0.00 H new ATOM 893 N SER A 53 -3.796 -6.675 2.785 1.00 0.00 N ATOM 894 CA SER A 53 -4.703 -5.984 3.700 1.00 0.00 C ATOM 895 C SER A 53 -5.682 -5.096 2.939 1.00 0.00 C ATOM 896 O SER A 53 -5.491 -4.803 1.755 1.00 0.00 O ATOM 897 CB SER A 53 -3.936 -5.147 4.722 1.00 0.00 C ATOM 898 OG SER A 53 -2.898 -5.900 5.327 1.00 0.00 O ATOM 0 H SER A 53 -3.534 -6.131 1.963 1.00 0.00 H new ATOM 0 HA SER A 53 -5.264 -6.752 4.232 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.514 -4.269 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.622 -4.787 5.489 1.00 0.00 H new ATOM 0 HG SER A 53 -2.125 -5.934 4.725 1.00 0.00 H new ATOM 904 N GLU A 54 -6.715 -4.649 3.642 1.00 0.00 N ATOM 905 CA GLU A 54 -7.722 -3.768 3.067 1.00 0.00 C ATOM 906 C GLU A 54 -7.884 -2.536 3.949 1.00 0.00 C ATOM 907 O GLU A 54 -8.461 -2.612 5.033 1.00 0.00 O ATOM 908 CB GLU A 54 -9.059 -4.497 2.921 1.00 0.00 C ATOM 909 CG GLU A 54 -9.586 -4.515 1.496 1.00 0.00 C ATOM 910 CD GLU A 54 -10.008 -5.901 1.046 1.00 0.00 C ATOM 911 OE1 GLU A 54 -10.253 -6.759 1.919 1.00 0.00 O ATOM 912 OE2 GLU A 54 -10.094 -6.127 -0.179 1.00 0.00 O ATOM 0 H GLU A 54 -6.877 -4.885 4.621 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.395 -3.459 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.945 -5.523 3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.796 -4.020 3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.436 -3.838 1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.816 -4.138 0.823 1.00 0.00 H new ATOM 919 N ILE A 55 -7.348 -1.409 3.495 1.00 0.00 N ATOM 920 CA ILE A 55 -7.413 -0.175 4.268 1.00 0.00 C ATOM 921 C ILE A 55 -8.328 0.857 3.622 1.00 0.00 C ATOM 922 O ILE A 55 -8.412 0.957 2.397 1.00 0.00 O ATOM 923 CB ILE A 55 -6.015 0.454 4.450 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.938 -0.629 4.539 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.990 1.334 5.691 1.00 0.00 C ATOM 926 CD1 ILE A 55 -5.149 -1.604 5.678 1.00 0.00 C ATOM 0 H ILE A 55 -6.866 -1.324 2.600 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.819 -0.452 5.241 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.801 1.073 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.912 -1.181 3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.965 -0.152 4.656 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.998 1.771 5.807 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.728 2.130 5.588 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.226 0.732 6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.347 -2.342 5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.145 -1.064 6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.107 -2.109 5.552 1.00 0.00 H new ATOM 938 N ALA A 56 -8.996 1.637 4.464 1.00 0.00 N ATOM 939 CA ALA A 56 -9.894 2.685 4.002 1.00 0.00 C ATOM 940 C ALA A 56 -9.236 4.049 4.167 1.00 0.00 C ATOM 941 O ALA A 56 -8.734 4.382 5.241 1.00 0.00 O ATOM 942 CB ALA A 56 -11.211 2.630 4.760 1.00 0.00 C ATOM 0 H ALA A 56 -8.930 1.561 5.479 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.103 2.526 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.870 3.421 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.684 1.662 4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.024 2.768 5.825 1.00 0.00 H new ATOM 948 N PHE A 57 -9.227 4.826 3.095 1.00 0.00 N ATOM 949 CA PHE A 57 -8.614 6.148 3.110 1.00 0.00 C ATOM 950 C PHE A 57 -9.594 7.169 3.690 1.00 0.00 C ATOM 951 O PHE A 57 -10.719 7.298 3.207 1.00 0.00 O ATOM 952 CB PHE A 57 -8.231 6.528 1.679 1.00 0.00 C ATOM 953 CG PHE A 57 -7.010 7.393 1.564 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.747 6.841 1.714 1.00 0.00 C ATOM 955 CD2 PHE A 57 -7.118 8.742 1.279 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.614 7.620 1.583 1.00 0.00 C ATOM 957 CE2 PHE A 57 -5.989 9.528 1.151 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.735 8.967 1.301 1.00 0.00 C ATOM 0 H PHE A 57 -9.639 4.564 2.199 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.721 6.138 3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.068 5.615 1.107 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.072 7.047 1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.648 5.789 1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.095 9.186 1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.636 7.177 1.701 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.087 10.581 0.934 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.852 9.580 1.198 1.00 0.00 H new ATOM 968 N VAL A 58 -9.180 7.878 4.740 1.00 0.00 N ATOM 969 CA VAL A 58 -10.050 8.861 5.383 1.00 0.00 C ATOM 970 C VAL A 58 -10.151 10.161 4.585 1.00 0.00 C ATOM 971 O VAL A 58 -11.104 10.923 4.753 1.00 0.00 O ATOM 972 CB VAL A 58 -9.571 9.187 6.811 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.574 10.086 7.520 1.00 0.00 C ATOM 974 CG2 VAL A 58 -9.343 7.908 7.601 1.00 0.00 C ATOM 0 H VAL A 58 -8.255 7.791 5.160 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.038 8.403 5.424 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.623 9.721 6.743 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.218 10.305 8.527 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.685 11.017 6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.538 9.581 7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.005 8.157 8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.275 7.346 7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.585 7.303 7.103 1.00 0.00 H new ATOM 984 N ALA A 59 -9.170 10.422 3.728 1.00 0.00 N ATOM 985 CA ALA A 59 -9.170 11.644 2.927 1.00 0.00 C ATOM 986 C ALA A 59 -10.442 11.771 2.095 1.00 0.00 C ATOM 987 O ALA A 59 -11.156 12.770 2.188 1.00 0.00 O ATOM 988 CB ALA A 59 -7.947 11.690 2.026 1.00 0.00 C ATOM 0 H ALA A 59 -8.370 9.810 3.570 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.136 12.488 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.963 12.607 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.044 11.667 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.955 10.829 1.358 1.00 0.00 H new ATOM 994 N THR A 60 -10.719 10.760 1.278 1.00 0.00 N ATOM 995 CA THR A 60 -11.905 10.773 0.427 1.00 0.00 C ATOM 996 C THR A 60 -12.743 9.510 0.617 1.00 0.00 C ATOM 997 O THR A 60 -13.604 9.199 -0.208 1.00 0.00 O ATOM 998 CB THR A 60 -11.501 10.910 -1.042 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.446 10.019 -1.357 1.00 0.00 O ATOM 1000 CG2 THR A 60 -11.047 12.307 -1.409 1.00 0.00 C ATOM 0 H THR A 60 -10.141 9.924 1.187 1.00 0.00 H new ATOM 0 HA THR A 60 -12.512 11.631 0.718 1.00 0.00 H new ATOM 0 HB THR A 60 -12.400 10.675 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.203 10.120 -2.301 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.775 12.336 -2.464 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.856 13.013 -1.224 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.182 12.579 -0.804 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.492 8.784 1.702 1.00 0.00 N ATOM 1009 CA GLY A 61 -13.240 7.567 1.963 1.00 0.00 C ATOM 1010 C GLY A 61 -13.083 6.543 0.857 1.00 0.00 C ATOM 1011 O GLY A 61 -13.998 5.764 0.590 1.00 0.00 O ATOM 0 H GLY A 61 -11.787 9.015 2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.906 7.134 2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.296 7.811 2.081 1.00 0.00 H new ATOM 1015 N THR A 62 -11.922 6.546 0.211 1.00 0.00 N ATOM 1016 CA THR A 62 -11.649 5.610 -0.874 1.00 0.00 C ATOM 1017 C THR A 62 -11.101 4.293 -0.332 1.00 0.00 C ATOM 1018 O THR A 62 -10.107 4.275 0.393 1.00 0.00 O ATOM 1019 CB THR A 62 -10.657 6.221 -1.866 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.303 5.278 -2.863 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.377 6.705 -1.218 1.00 0.00 C ATOM 0 H THR A 62 -11.155 7.186 0.420 1.00 0.00 H new ATOM 0 HA THR A 62 -12.587 5.406 -1.390 1.00 0.00 H new ATOM 0 HB THR A 62 -11.172 7.080 -2.296 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.670 5.686 -3.489 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.720 7.126 -1.979 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.611 7.470 -0.477 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.877 5.868 -0.730 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.752 3.191 -0.693 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.323 1.870 -0.246 1.00 0.00 C ATOM 1031 C ASN A 63 -10.152 1.387 -1.090 1.00 0.00 C ATOM 1032 O ASN A 63 -10.101 1.639 -2.294 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.482 0.875 -0.335 1.00 0.00 C ATOM 1034 CG ASN A 63 -12.132 -0.473 0.266 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.187 -1.132 -0.167 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -12.895 -0.890 1.270 1.00 0.00 N ATOM 0 H ASN A 63 -12.577 3.187 -1.293 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.004 1.940 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.350 1.285 0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.764 0.742 -1.379 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.707 -1.789 1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.668 -0.311 1.597 1.00 0.00 H new ATOM 1043 N LEU A 64 -9.201 0.706 -0.458 1.00 0.00 N ATOM 1044 CA LEU A 64 -8.030 0.218 -1.173 1.00 0.00 C ATOM 1045 C LEU A 64 -7.588 -1.160 -0.689 1.00 0.00 C ATOM 1046 O LEU A 64 -7.339 -1.368 0.498 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.872 1.205 -1.015 1.00 0.00 C ATOM 1048 CG LEU A 64 -7.156 2.625 -1.517 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -7.028 3.630 -0.383 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -6.216 2.986 -2.658 1.00 0.00 C ATOM 0 H LEU A 64 -9.218 0.482 0.537 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.309 0.129 -2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.600 1.256 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.006 0.814 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.180 2.658 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.233 4.632 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.742 3.385 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.017 3.595 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.432 3.998 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.184 2.934 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.357 2.285 -3.481 1.00 0.00 H new ATOM 1062 N SER A 65 -7.460 -2.084 -1.634 1.00 0.00 N ATOM 1063 CA SER A 65 -7.007 -3.438 -1.340 1.00 0.00 C ATOM 1064 C SER A 65 -5.619 -3.625 -1.937 1.00 0.00 C ATOM 1065 O SER A 65 -5.453 -3.581 -3.156 1.00 0.00 O ATOM 1066 CB SER A 65 -7.978 -4.470 -1.917 1.00 0.00 C ATOM 1067 OG SER A 65 -9.312 -4.186 -1.532 1.00 0.00 O ATOM 0 H SER A 65 -7.666 -1.918 -2.619 1.00 0.00 H new ATOM 0 HA SER A 65 -6.969 -3.584 -0.261 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.903 -4.476 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.701 -5.467 -1.573 1.00 0.00 H new ATOM 0 HG SER A 65 -9.770 -5.021 -1.300 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.613 -3.787 -1.084 1.00 0.00 N ATOM 1074 CA LEU A 66 -3.242 -3.922 -1.567 1.00 0.00 C ATOM 1075 C LEU A 66 -2.575 -5.218 -1.128 1.00 0.00 C ATOM 1076 O LEU A 66 -2.865 -5.764 -0.063 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.400 -2.741 -1.083 1.00 0.00 C ATOM 1078 CG LEU A 66 -3.012 -1.361 -1.323 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.790 -0.902 -0.099 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -1.924 -0.357 -1.671 1.00 0.00 C ATOM 0 H LEU A 66 -4.717 -3.828 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.300 -3.938 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.218 -2.859 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.429 -2.781 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.704 -1.429 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.218 0.082 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.590 -1.612 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.120 -0.847 0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.373 0.622 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.212 -0.293 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.407 -0.680 -2.575 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.643 -5.673 -1.960 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.867 -6.873 -1.687 1.00 0.00 C ATOM 1094 C GLN A 67 0.602 -6.487 -1.576 1.00 0.00 C ATOM 1095 O GLN A 67 1.251 -6.187 -2.577 1.00 0.00 O ATOM 1096 CB GLN A 67 -1.063 -7.908 -2.797 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.520 -8.123 -3.177 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.895 -7.421 -4.468 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -3.887 -6.695 -4.527 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -2.102 -7.636 -5.510 1.00 0.00 N ATOM 0 H GLN A 67 -1.406 -5.218 -2.842 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.204 -7.320 -0.752 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.509 -7.591 -3.680 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.636 -8.858 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.711 -9.191 -3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.159 -7.761 -2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.290 -8.246 -5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.305 -7.191 -6.405 1.00 0.00 H new ATOM 1109 N PHE A 68 1.110 -6.456 -0.351 1.00 0.00 N ATOM 1110 CA PHE A 68 2.494 -6.058 -0.113 1.00 0.00 C ATOM 1111 C PHE A 68 3.417 -7.223 0.220 1.00 0.00 C ATOM 1112 O PHE A 68 3.190 -7.985 1.159 1.00 0.00 O ATOM 1113 CB PHE A 68 2.575 -4.992 0.983 1.00 0.00 C ATOM 1114 CG PHE A 68 1.359 -4.900 1.858 1.00 0.00 C ATOM 1115 CD1 PHE A 68 0.928 -5.978 2.622 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.651 -3.714 1.920 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.185 -5.864 3.428 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.462 -3.597 2.720 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.880 -4.672 3.475 1.00 0.00 C ATOM 0 H PHE A 68 0.588 -6.700 0.491 1.00 0.00 H new ATOM 0 HA PHE A 68 2.848 -5.641 -1.056 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.442 -5.200 1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.744 -4.022 0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.469 -6.912 2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.976 -2.868 1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.512 -6.705 4.021 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.007 -2.665 2.756 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.753 -4.582 4.105 1.00 0.00 H new ATOM 1129 N PHE A 69 4.481 -7.312 -0.569 1.00 0.00 N ATOM 1130 CA PHE A 69 5.513 -8.329 -0.414 1.00 0.00 C ATOM 1131 C PHE A 69 6.795 -7.865 -1.100 1.00 0.00 C ATOM 1132 O PHE A 69 6.740 -7.230 -2.153 1.00 0.00 O ATOM 1133 CB PHE A 69 5.062 -9.665 -1.005 1.00 0.00 C ATOM 1134 CG PHE A 69 4.361 -10.557 -0.022 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.848 -10.719 1.269 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.217 -11.243 -0.394 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.200 -11.549 2.164 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.569 -12.074 0.498 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.061 -12.227 1.778 1.00 0.00 C ATOM 0 H PHE A 69 4.653 -6.672 -1.344 1.00 0.00 H new ATOM 0 HA PHE A 69 5.697 -8.474 0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.396 -9.473 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.932 -10.189 -1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.740 -10.192 1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.827 -11.127 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.585 -11.667 3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.678 -12.604 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.556 -12.877 2.477 1.00 0.00 H new ATOM 1149 N PRO A 70 7.968 -8.175 -0.528 1.00 0.00 N ATOM 1150 CA PRO A 70 9.250 -7.776 -1.115 1.00 0.00 C ATOM 1151 C PRO A 70 9.318 -8.068 -2.611 1.00 0.00 C ATOM 1152 O PRO A 70 9.323 -9.225 -3.030 1.00 0.00 O ATOM 1153 CB PRO A 70 10.263 -8.627 -0.351 1.00 0.00 C ATOM 1154 CG PRO A 70 9.626 -8.873 0.973 1.00 0.00 C ATOM 1155 CD PRO A 70 8.142 -8.937 0.723 1.00 0.00 C ATOM 0 HA PRO A 70 9.426 -6.704 -1.031 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.468 -9.562 -0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.215 -8.108 -0.242 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.987 -9.804 1.411 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.868 -8.075 1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.797 -9.966 0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.578 -8.494 1.544 1.00 0.00 H new ATOM 1163 N ALA A 71 9.365 -7.006 -3.411 1.00 0.00 N ATOM 1164 CA ALA A 71 9.426 -7.137 -4.863 1.00 0.00 C ATOM 1165 C ALA A 71 10.609 -7.997 -5.302 1.00 0.00 C ATOM 1166 O ALA A 71 10.617 -8.534 -6.411 1.00 0.00 O ATOM 1167 CB ALA A 71 9.504 -5.761 -5.511 1.00 0.00 C ATOM 0 H ALA A 71 9.362 -6.042 -3.076 1.00 0.00 H new ATOM 0 HA ALA A 71 8.515 -7.637 -5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.549 -5.871 -6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.621 -5.181 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.398 -5.244 -5.161 1.00 0.00 H new ATOM 1173 N SER A 72 11.609 -8.126 -4.433 1.00 0.00 N ATOM 1174 CA SER A 72 12.791 -8.922 -4.744 1.00 0.00 C ATOM 1175 C SER A 72 12.621 -10.374 -4.300 1.00 0.00 C ATOM 1176 O SER A 72 13.599 -11.111 -4.177 1.00 0.00 O ATOM 1177 CB SER A 72 14.026 -8.316 -4.076 1.00 0.00 C ATOM 1178 OG SER A 72 15.160 -8.407 -4.920 1.00 0.00 O ATOM 0 H SER A 72 11.623 -7.690 -3.511 1.00 0.00 H new ATOM 0 HA SER A 72 12.922 -8.912 -5.826 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.835 -7.271 -3.831 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.225 -8.833 -3.137 1.00 0.00 H new ATOM 0 HG SER A 72 15.935 -8.011 -4.470 1.00 0.00 H new ATOM 1319 N PRO A 81 6.854 -12.792 6.071 1.00 0.00 N ATOM 1320 CA PRO A 81 7.021 -11.529 5.350 1.00 0.00 C ATOM 1321 C PRO A 81 8.103 -10.646 5.955 1.00 0.00 C ATOM 1322 O PRO A 81 8.597 -10.911 7.051 1.00 0.00 O ATOM 1323 CB PRO A 81 5.651 -10.840 5.484 1.00 0.00 C ATOM 1324 CG PRO A 81 4.823 -11.726 6.359 1.00 0.00 C ATOM 1325 CD PRO A 81 5.437 -13.096 6.282 1.00 0.00 C ATOM 0 HA PRO A 81 7.330 -11.703 4.319 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.756 -9.848 5.922 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.184 -10.710 4.508 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.817 -11.361 7.386 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.787 -11.746 6.021 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.275 -13.666 7.197 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.021 -13.683 5.463 1.00 0.00 H new ATOM 1333 N SER A 82 8.456 -9.589 5.236 1.00 0.00 N ATOM 1334 CA SER A 82 9.470 -8.653 5.707 1.00 0.00 C ATOM 1335 C SER A 82 8.828 -7.322 6.078 1.00 0.00 C ATOM 1336 O SER A 82 7.850 -6.906 5.456 1.00 0.00 O ATOM 1337 CB SER A 82 10.542 -8.441 4.634 1.00 0.00 C ATOM 1338 OG SER A 82 10.175 -7.404 3.741 1.00 0.00 O ATOM 0 H SER A 82 8.057 -9.358 4.326 1.00 0.00 H new ATOM 0 HA SER A 82 9.944 -9.074 6.594 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.492 -8.196 5.109 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.692 -9.367 4.078 1.00 0.00 H new ATOM 0 HG SER A 82 9.224 -7.485 3.518 1.00 0.00 H new ATOM 1344 N ARG A 83 9.374 -6.653 7.090 1.00 0.00 N ATOM 1345 CA ARG A 83 8.829 -5.370 7.517 1.00 0.00 C ATOM 1346 C ARG A 83 8.984 -4.313 6.423 1.00 0.00 C ATOM 1347 O ARG A 83 8.391 -3.238 6.501 1.00 0.00 O ATOM 1348 CB ARG A 83 9.479 -4.901 8.821 1.00 0.00 C ATOM 1349 CG ARG A 83 9.137 -5.778 10.016 1.00 0.00 C ATOM 1350 CD ARG A 83 10.298 -6.676 10.406 1.00 0.00 C ATOM 1351 NE ARG A 83 11.538 -5.923 10.582 1.00 0.00 N ATOM 1352 CZ ARG A 83 12.696 -6.475 10.940 1.00 0.00 C ATOM 1353 NH1 ARG A 83 12.776 -7.782 11.160 1.00 0.00 N ATOM 1354 NH2 ARG A 83 13.776 -5.719 11.078 1.00 0.00 N ATOM 0 H ARG A 83 10.183 -6.973 7.623 1.00 0.00 H new ATOM 0 HA ARG A 83 7.764 -5.509 7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.561 -4.881 8.692 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.164 -3.878 9.028 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.864 -5.148 10.863 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.267 -6.390 9.780 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.057 -7.199 11.332 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.442 -7.437 9.639 1.00 0.00 H new ATOM 0 HE ARG A 83 11.515 -4.916 10.421 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.948 -8.368 11.055 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.665 -8.200 11.434 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.720 -4.714 10.910 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.663 -6.142 11.352 1.00 0.00 H new ATOM 1368 N GLU A 84 9.766 -4.633 5.391 1.00 0.00 N ATOM 1369 CA GLU A 84 9.975 -3.719 4.273 1.00 0.00 C ATOM 1370 C GLU A 84 8.652 -3.387 3.600 1.00 0.00 C ATOM 1371 O GLU A 84 8.324 -2.219 3.391 1.00 0.00 O ATOM 1372 CB GLU A 84 10.935 -4.337 3.255 1.00 0.00 C ATOM 1373 CG GLU A 84 12.285 -4.715 3.841 1.00 0.00 C ATOM 1374 CD GLU A 84 13.274 -5.166 2.785 1.00 0.00 C ATOM 1375 OE1 GLU A 84 13.834 -4.295 2.085 1.00 0.00 O ATOM 1376 OE2 GLU A 84 13.489 -6.389 2.657 1.00 0.00 O ATOM 0 H GLU A 84 10.264 -5.519 5.308 1.00 0.00 H new ATOM 0 HA GLU A 84 10.412 -2.799 4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.473 -5.226 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.088 -3.632 2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.696 -3.860 4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.149 -5.513 4.571 1.00 0.00 H new ATOM 1383 N TYR A 85 7.900 -4.426 3.259 1.00 0.00 N ATOM 1384 CA TYR A 85 6.613 -4.249 2.602 1.00 0.00 C ATOM 1385 C TYR A 85 5.467 -4.522 3.572 1.00 0.00 C ATOM 1386 O TYR A 85 4.352 -4.040 3.379 1.00 0.00 O ATOM 1387 CB TYR A 85 6.525 -5.156 1.377 1.00 0.00 C ATOM 1388 CG TYR A 85 7.366 -4.670 0.215 1.00 0.00 C ATOM 1389 CD1 TYR A 85 8.638 -4.132 0.417 1.00 0.00 C ATOM 1390 CD2 TYR A 85 6.888 -4.746 -1.088 1.00 0.00 C ATOM 1391 CE1 TYR A 85 9.399 -3.687 -0.648 1.00 0.00 C ATOM 1392 CE2 TYR A 85 7.647 -4.304 -2.154 1.00 0.00 C ATOM 1393 CZ TYR A 85 8.900 -3.776 -1.930 1.00 0.00 C ATOM 1394 OH TYR A 85 9.657 -3.334 -2.992 1.00 0.00 O ATOM 0 H TYR A 85 8.159 -5.398 3.427 1.00 0.00 H new ATOM 0 HA TYR A 85 6.526 -3.214 2.273 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.844 -6.161 1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.485 -5.228 1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.033 -4.062 1.420 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.906 -5.158 -1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.381 -3.271 -0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.260 -4.372 -3.160 1.00 0.00 H new ATOM 0 HH TYR A 85 9.161 -3.469 -3.826 1.00 0.00 H new ATOM 1404 N VAL A 86 5.759 -5.269 4.632 1.00 0.00 N ATOM 1405 CA VAL A 86 4.775 -5.575 5.662 1.00 0.00 C ATOM 1406 C VAL A 86 5.456 -5.642 7.015 1.00 0.00 C ATOM 1407 O VAL A 86 6.207 -6.576 7.298 1.00 0.00 O ATOM 1408 CB VAL A 86 4.026 -6.898 5.428 1.00 0.00 C ATOM 1409 CG1 VAL A 86 2.594 -6.634 4.992 1.00 0.00 C ATOM 1410 CG2 VAL A 86 4.748 -7.778 4.419 1.00 0.00 C ATOM 0 H VAL A 86 6.679 -5.677 4.800 1.00 0.00 H new ATOM 0 HA VAL A 86 4.038 -4.773 5.624 1.00 0.00 H new ATOM 0 HB VAL A 86 4.003 -7.438 6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.082 -7.583 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.076 -6.068 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.596 -6.061 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.190 -8.704 4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.824 -7.253 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.748 -8.009 4.787 1.00 0.00 H new ATOM 1420 N ASP A 87 5.193 -4.643 7.836 1.00 0.00 N ATOM 1421 CA ASP A 87 5.790 -4.561 9.160 1.00 0.00 C ATOM 1422 C ASP A 87 5.019 -5.384 10.173 1.00 0.00 C ATOM 1423 O ASP A 87 3.789 -5.419 10.162 1.00 0.00 O ATOM 1424 CB ASP A 87 5.861 -3.105 9.622 1.00 0.00 C ATOM 1425 CG ASP A 87 6.746 -2.928 10.839 1.00 0.00 C ATOM 1426 OD1 ASP A 87 6.227 -3.036 11.970 1.00 0.00 O ATOM 1427 OD2 ASP A 87 7.957 -2.679 10.662 1.00 0.00 O ATOM 0 H ASP A 87 4.566 -3.871 7.609 1.00 0.00 H new ATOM 0 HA ASP A 87 6.798 -4.969 9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.239 -2.486 8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.856 -2.750 9.852 1.00 0.00 H new ATOM 1515 N GLY A 93 5.036 1.355 17.287 1.00 0.00 N ATOM 1516 CA GLY A 93 3.804 1.012 17.977 1.00 0.00 C ATOM 1517 C GLY A 93 2.718 0.547 17.024 1.00 0.00 C ATOM 1518 O GLY A 93 1.714 -0.026 17.446 1.00 0.00 O ATOM 0 HA2 GLY A 93 4.005 0.227 18.705 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.449 1.879 18.533 1.00 0.00 H new ATOM 1522 N LYS A 94 2.925 0.795 15.734 1.00 0.00 N ATOM 1523 CA LYS A 94 1.969 0.402 14.705 1.00 0.00 C ATOM 1524 C LYS A 94 2.674 -0.429 13.638 1.00 0.00 C ATOM 1525 O LYS A 94 3.886 -0.635 13.703 1.00 0.00 O ATOM 1526 CB LYS A 94 1.321 1.636 14.063 1.00 0.00 C ATOM 1527 CG LYS A 94 1.428 2.900 14.903 1.00 0.00 C ATOM 1528 CD LYS A 94 2.673 3.698 14.553 1.00 0.00 C ATOM 1529 CE LYS A 94 3.033 4.681 15.655 1.00 0.00 C ATOM 1530 NZ LYS A 94 3.784 5.855 15.131 1.00 0.00 N ATOM 0 H LYS A 94 3.753 1.270 15.375 1.00 0.00 H new ATOM 0 HA LYS A 94 1.184 -0.195 15.170 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.787 1.816 13.094 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.268 1.425 13.876 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.543 3.517 14.747 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.450 2.635 15.960 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.507 3.017 14.385 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.510 4.239 13.621 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.123 5.023 16.147 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.633 4.175 16.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.010 6.500 15.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.665 5.532 14.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.202 6.354 14.428 1.00 0.00 H new ATOM 1544 N VAL A 95 1.917 -0.905 12.657 1.00 0.00 N ATOM 1545 CA VAL A 95 2.489 -1.713 11.583 1.00 0.00 C ATOM 1546 C VAL A 95 2.297 -1.038 10.226 1.00 0.00 C ATOM 1547 O VAL A 95 1.169 -0.842 9.773 1.00 0.00 O ATOM 1548 CB VAL A 95 1.883 -3.144 11.549 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.564 -3.197 12.308 1.00 0.00 C ATOM 1550 CG2 VAL A 95 1.695 -3.635 10.118 1.00 0.00 C ATOM 0 H VAL A 95 0.912 -0.748 12.581 1.00 0.00 H new ATOM 0 HA VAL A 95 3.556 -1.800 11.789 1.00 0.00 H new ATOM 0 HB VAL A 95 2.591 -3.810 12.043 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.162 -4.209 12.268 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.731 -2.913 13.347 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.146 -2.507 11.853 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.270 -4.638 10.131 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.021 -2.962 9.588 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.660 -3.656 9.611 1.00 0.00 H new ATOM 1560 N TYR A 96 3.409 -0.707 9.575 1.00 0.00 N ATOM 1561 CA TYR A 96 3.367 -0.077 8.258 1.00 0.00 C ATOM 1562 C TYR A 96 3.808 -1.031 7.160 1.00 0.00 C ATOM 1563 O TYR A 96 4.710 -1.847 7.346 1.00 0.00 O ATOM 1564 CB TYR A 96 4.195 1.216 8.198 1.00 0.00 C ATOM 1565 CG TYR A 96 5.212 1.395 9.305 1.00 0.00 C ATOM 1566 CD1 TYR A 96 6.126 0.401 9.636 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.256 2.586 10.017 1.00 0.00 C ATOM 1568 CE1 TYR A 96 7.050 0.592 10.646 1.00 0.00 C ATOM 1569 CE2 TYR A 96 6.174 2.784 11.025 1.00 0.00 C ATOM 1570 CZ TYR A 96 7.070 1.786 11.338 1.00 0.00 C ATOM 1571 OH TYR A 96 7.988 1.981 12.343 1.00 0.00 O ATOM 0 H TYR A 96 4.349 -0.864 9.937 1.00 0.00 H new ATOM 0 HA TYR A 96 2.323 0.188 8.087 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.717 1.248 7.241 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.511 2.065 8.217 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.114 -0.534 9.096 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.557 3.373 9.776 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.753 -0.190 10.893 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.191 3.718 11.567 1.00 0.00 H new ATOM 0 HH TYR A 96 7.868 2.875 12.727 1.00 0.00 H new ATOM 1581 N LEU A 97 3.150 -0.913 6.013 1.00 0.00 N ATOM 1582 CA LEU A 97 3.450 -1.754 4.867 1.00 0.00 C ATOM 1583 C LEU A 97 3.519 -0.921 3.592 1.00 0.00 C ATOM 1584 O LEU A 97 2.987 0.193 3.529 1.00 0.00 O ATOM 1585 CB LEU A 97 2.401 -2.868 4.714 1.00 0.00 C ATOM 1586 CG LEU A 97 1.038 -2.609 5.371 1.00 0.00 C ATOM 1587 CD1 LEU A 97 1.154 -2.572 6.889 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.431 -1.317 4.854 1.00 0.00 C ATOM 0 H LEU A 97 2.402 -0.238 5.854 1.00 0.00 H new ATOM 0 HA LEU A 97 4.422 -2.216 5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.241 -3.044 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.813 -3.787 5.131 1.00 0.00 H new ATOM 0 HG LEU A 97 0.379 -3.435 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.172 -2.387 7.325 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.536 -3.528 7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.837 -1.775 7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.535 -1.152 5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.097 -0.485 5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.295 -1.385 3.775 1.00 0.00 H new ATOM 1600 N LYS A 98 4.178 -1.478 2.579 1.00 0.00 N ATOM 1601 CA LYS A 98 4.330 -0.813 1.291 1.00 0.00 C ATOM 1602 C LYS A 98 3.908 -1.752 0.167 1.00 0.00 C ATOM 1603 O LYS A 98 4.425 -2.864 0.051 1.00 0.00 O ATOM 1604 CB LYS A 98 5.786 -0.379 1.095 1.00 0.00 C ATOM 1605 CG LYS A 98 6.089 0.149 -0.300 1.00 0.00 C ATOM 1606 CD LYS A 98 7.263 -0.583 -0.933 1.00 0.00 C ATOM 1607 CE LYS A 98 8.587 -0.131 -0.338 1.00 0.00 C ATOM 1608 NZ LYS A 98 9.699 -0.223 -1.324 1.00 0.00 N ATOM 0 H LYS A 98 4.618 -2.397 2.628 1.00 0.00 H new ATOM 0 HA LYS A 98 3.692 0.071 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.026 0.394 1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.439 -1.227 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.207 0.038 -0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.310 1.215 -0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.145 -1.657 -0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.267 -0.406 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.496 0.897 0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 98 8.822 -0.744 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.521 0.306 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.961 -1.220 -1.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.392 0.181 -2.232 1.00 0.00 H new ATOM 1622 N ALA A 99 2.968 -1.304 -0.660 1.00 0.00 N ATOM 1623 CA ALA A 99 2.482 -2.120 -1.767 1.00 0.00 C ATOM 1624 C ALA A 99 2.625 -1.395 -3.104 1.00 0.00 C ATOM 1625 O ALA A 99 2.246 -0.231 -3.230 1.00 0.00 O ATOM 1626 CB ALA A 99 1.028 -2.506 -1.533 1.00 0.00 C ATOM 0 H ALA A 99 2.530 -0.386 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 99 3.092 -3.022 -1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.675 -3.115 -2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.947 -3.075 -0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.420 -1.605 -1.459 1.00 0.00 H new ATOM 1632 N PRO A 100 3.170 -2.078 -4.128 1.00 0.00 N ATOM 1633 CA PRO A 100 3.355 -1.505 -5.452 1.00 0.00 C ATOM 1634 C PRO A 100 2.157 -1.775 -6.360 1.00 0.00 C ATOM 1635 O PRO A 100 1.856 -2.924 -6.678 1.00 0.00 O ATOM 1636 CB PRO A 100 4.594 -2.242 -5.955 1.00 0.00 C ATOM 1637 CG PRO A 100 4.550 -3.587 -5.295 1.00 0.00 C ATOM 1638 CD PRO A 100 3.653 -3.469 -4.080 1.00 0.00 C ATOM 0 HA PRO A 100 3.458 -0.420 -5.438 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.582 -2.336 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.505 -1.705 -5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.166 -4.340 -5.984 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.551 -3.904 -5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.828 -4.180 -4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.200 -3.670 -3.159 1.00 0.00 H new ATOM 1646 N MET A 101 1.471 -0.709 -6.765 1.00 0.00 N ATOM 1647 CA MET A 101 0.299 -0.836 -7.624 1.00 0.00 C ATOM 1648 C MET A 101 0.437 0.013 -8.883 1.00 0.00 C ATOM 1649 O MET A 101 1.369 0.805 -9.015 1.00 0.00 O ATOM 1650 CB MET A 101 -0.960 -0.429 -6.861 1.00 0.00 C ATOM 1651 CG MET A 101 -1.687 -1.602 -6.231 1.00 0.00 C ATOM 1652 SD MET A 101 -2.497 -1.172 -4.680 1.00 0.00 S ATOM 1653 CE MET A 101 -3.864 -0.178 -5.269 1.00 0.00 C ATOM 0 H MET A 101 1.707 0.251 -6.512 1.00 0.00 H new ATOM 0 HA MET A 101 0.219 -1.880 -7.925 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.689 0.283 -6.081 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.638 0.086 -7.541 1.00 0.00 H new ATOM 0 HG2 MET A 101 -2.432 -1.980 -6.931 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.977 -2.410 -6.053 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.459 0.162 -4.421 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.479 0.685 -5.812 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.488 -0.775 -5.934 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.505 -0.161 -9.806 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.501 0.586 -11.057 1.00 0.00 C ATOM 1665 C ILE A 102 -1.629 1.615 -11.086 1.00 0.00 C ATOM 1666 O ILE A 102 -2.797 1.269 -11.265 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.634 -0.355 -12.274 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.587 -1.275 -12.368 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -0.800 0.444 -13.562 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.859 -0.557 -12.768 1.00 0.00 C ATOM 0 H ILE A 102 -1.282 -0.815 -9.709 1.00 0.00 H new ATOM 0 HA ILE A 102 0.456 1.104 -11.116 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.525 -0.968 -12.138 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.741 -1.759 -11.404 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.382 -2.064 -13.092 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.892 -0.240 -14.405 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.697 1.060 -13.495 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.070 1.085 -13.707 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.681 -1.271 -12.814 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.724 -0.095 -13.746 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.089 0.213 -12.032 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.263 2.880 -10.926 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.227 3.974 -10.949 1.00 0.00 C ATOM 1684 C LEU A 103 -2.014 4.824 -12.192 1.00 0.00 C ATOM 1685 O LEU A 103 -0.905 4.903 -12.694 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.107 4.835 -9.690 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.990 4.398 -8.520 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.789 5.318 -7.324 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.453 4.379 -8.939 1.00 0.00 C ATOM 0 H LEU A 103 -0.298 3.176 -10.778 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.231 3.550 -10.973 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.067 4.830 -9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.355 5.865 -9.948 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.700 3.389 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.426 4.991 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.746 5.284 -7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.051 6.339 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.069 4.066 -8.096 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.753 5.377 -9.257 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.586 3.680 -9.765 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.087 5.438 -12.687 1.00 0.00 N ATOM 1702 CA ASN A 104 -3.047 6.276 -13.897 1.00 0.00 C ATOM 1703 C ASN A 104 -1.662 6.329 -14.558 1.00 0.00 C ATOM 1704 O ASN A 104 -0.881 7.251 -14.323 1.00 0.00 O ATOM 1705 CB ASN A 104 -3.486 7.697 -13.547 1.00 0.00 C ATOM 1706 CG ASN A 104 -4.797 7.727 -12.787 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -4.938 7.084 -11.746 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -5.765 8.474 -13.303 1.00 0.00 N ATOM 0 H ASN A 104 -4.013 5.372 -12.264 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.727 5.818 -14.615 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.711 8.176 -12.949 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.587 8.279 -14.463 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -6.669 8.532 -12.835 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.605 8.990 -14.168 1.00 0.00 H new ATOM 1715 N GLY A 105 -1.387 5.333 -15.405 1.00 0.00 N ATOM 1716 CA GLY A 105 -0.120 5.260 -16.127 1.00 0.00 C ATOM 1717 C GLY A 105 1.093 5.649 -15.298 1.00 0.00 C ATOM 1718 O GLY A 105 1.897 6.477 -15.723 1.00 0.00 O ATOM 0 H GLY A 105 -2.029 4.566 -15.606 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.017 4.244 -16.496 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.174 5.911 -16.999 1.00 0.00 H new ATOM 1722 N VAL A 106 1.224 5.048 -14.120 1.00 0.00 N ATOM 1723 CA VAL A 106 2.339 5.328 -13.226 1.00 0.00 C ATOM 1724 C VAL A 106 2.465 4.236 -12.170 1.00 0.00 C ATOM 1725 O VAL A 106 1.462 3.724 -11.674 1.00 0.00 O ATOM 1726 CB VAL A 106 2.156 6.686 -12.507 1.00 0.00 C ATOM 1727 CG1 VAL A 106 3.213 6.877 -11.429 1.00 0.00 C ATOM 1728 CG2 VAL A 106 2.193 7.835 -13.501 1.00 0.00 C ATOM 0 H VAL A 106 0.564 4.358 -13.761 1.00 0.00 H new ATOM 0 HA VAL A 106 3.241 5.363 -13.838 1.00 0.00 H new ATOM 0 HB VAL A 106 1.177 6.681 -12.027 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.063 7.839 -10.938 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.131 6.077 -10.693 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.204 6.852 -11.882 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.062 8.779 -12.971 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.153 7.839 -14.017 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.390 7.713 -14.228 1.00 0.00 H new ATOM 1738 N CYS A 107 3.699 3.905 -11.806 1.00 0.00 N ATOM 1739 CA CYS A 107 3.932 2.897 -10.779 1.00 0.00 C ATOM 1740 C CYS A 107 3.792 3.548 -9.412 1.00 0.00 C ATOM 1741 O CYS A 107 4.637 4.339 -9.009 1.00 0.00 O ATOM 1742 CB CYS A 107 5.322 2.276 -10.936 1.00 0.00 C ATOM 1743 SG CYS A 107 5.635 0.878 -9.834 1.00 0.00 S ATOM 0 H CYS A 107 4.545 4.315 -12.202 1.00 0.00 H new ATOM 0 HA CYS A 107 3.198 2.098 -10.882 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.446 1.947 -11.968 1.00 0.00 H new ATOM 0 HB3 CYS A 107 6.074 3.044 -10.754 1.00 0.00 H new ATOM 0 HG CYS A 107 6.834 0.421 -10.043 1.00 0.00 H new ATOM 1749 N VAL A 108 2.703 3.253 -8.718 1.00 0.00 N ATOM 1750 CA VAL A 108 2.457 3.865 -7.419 1.00 0.00 C ATOM 1751 C VAL A 108 2.771 2.936 -6.255 1.00 0.00 C ATOM 1752 O VAL A 108 2.528 1.730 -6.311 1.00 0.00 O ATOM 1753 CB VAL A 108 1.005 4.351 -7.307 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.823 5.629 -8.115 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.039 3.268 -7.771 1.00 0.00 C ATOM 0 H VAL A 108 1.982 2.601 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 108 3.136 4.715 -7.355 1.00 0.00 H new ATOM 0 HB VAL A 108 0.784 4.568 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.209 5.968 -8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.491 6.400 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.057 5.434 -9.162 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.985 3.632 -7.684 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.247 3.016 -8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.162 2.380 -7.151 1.00 0.00 H new ATOM 1765 N ILE A 109 3.305 3.528 -5.192 1.00 0.00 N ATOM 1766 CA ILE A 109 3.658 2.798 -3.982 1.00 0.00 C ATOM 1767 C ILE A 109 2.938 3.390 -2.773 1.00 0.00 C ATOM 1768 O ILE A 109 3.278 4.482 -2.319 1.00 0.00 O ATOM 1769 CB ILE A 109 5.176 2.839 -3.700 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.994 2.822 -5.001 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.567 1.669 -2.807 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.482 2.651 -4.776 1.00 0.00 C ATOM 0 H ILE A 109 3.505 4.527 -5.146 1.00 0.00 H new ATOM 0 HA ILE A 109 3.354 1.764 -4.144 1.00 0.00 H new ATOM 0 HB ILE A 109 5.401 3.774 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.635 2.012 -5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.821 3.752 -5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.639 1.703 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.024 1.733 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.319 0.732 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.997 2.648 -5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.855 3.474 -4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.666 1.707 -4.262 1.00 0.00 H new ATOM 1784 N TRP A 110 1.949 2.672 -2.254 1.00 0.00 N ATOM 1785 CA TRP A 110 1.200 3.148 -1.096 1.00 0.00 C ATOM 1786 C TRP A 110 1.847 2.674 0.204 1.00 0.00 C ATOM 1787 O TRP A 110 1.956 1.473 0.455 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.258 2.678 -1.168 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.027 2.916 0.098 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -1.720 4.041 0.443 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.172 2.005 1.189 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.287 3.882 1.686 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -1.965 2.639 2.164 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.708 0.712 1.436 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.301 2.022 3.366 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.041 0.102 2.625 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -1.832 0.754 3.580 1.00 0.00 C ATOM 0 H TRP A 110 1.648 1.766 -2.612 1.00 0.00 H new ATOM 0 HA TRP A 110 1.216 4.238 -1.108 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.757 3.193 -1.989 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.277 1.613 -1.401 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -1.810 4.926 -0.170 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.854 4.576 2.172 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.098 0.199 0.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -2.909 2.525 4.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.686 -0.898 2.825 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.076 0.247 4.502 1.00 0.00 H new ATOM 1808 N LYS A 111 2.273 3.630 1.025 1.00 0.00 N ATOM 1809 CA LYS A 111 2.907 3.326 2.303 1.00 0.00 C ATOM 1810 C LYS A 111 2.074 3.867 3.458 1.00 0.00 C ATOM 1811 O LYS A 111 1.653 5.024 3.436 1.00 0.00 O ATOM 1812 CB LYS A 111 4.309 3.934 2.355 1.00 0.00 C ATOM 1813 CG LYS A 111 5.411 2.960 1.976 1.00 0.00 C ATOM 1814 CD LYS A 111 6.255 3.492 0.828 1.00 0.00 C ATOM 1815 CE LYS A 111 6.907 4.819 1.179 1.00 0.00 C ATOM 1816 NZ LYS A 111 7.751 5.336 0.067 1.00 0.00 N ATOM 0 H LYS A 111 2.190 4.627 0.826 1.00 0.00 H new ATOM 0 HA LYS A 111 2.980 2.243 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.348 4.792 1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.496 4.307 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 111 6.047 2.774 2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 111 4.971 2.004 1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 111 7.025 2.764 0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 111 5.630 3.616 -0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 111 6.135 5.550 1.419 1.00 0.00 H new ATOM 0 HE3 LYS A 111 7.519 4.697 2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 8.177 6.242 0.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 8.504 4.650 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 7.163 5.477 -0.779 1.00 0.00 H new ATOM 1830 N GLY A 112 1.837 3.037 4.470 1.00 0.00 N ATOM 1831 CA GLY A 112 1.052 3.487 5.610 1.00 0.00 C ATOM 1832 C GLY A 112 1.037 2.497 6.756 1.00 0.00 C ATOM 1833 O GLY A 112 1.230 1.301 6.552 1.00 0.00 O ATOM 0 H GLY A 112 2.168 2.074 4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.452 4.437 5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.028 3.673 5.286 1.00 0.00 H new ATOM 1837 N TRP A 113 0.799 3.000 7.968 1.00 0.00 N ATOM 1838 CA TRP A 113 0.752 2.146 9.149 1.00 0.00 C ATOM 1839 C TRP A 113 -0.609 2.209 9.824 1.00 0.00 C ATOM 1840 O TRP A 113 -1.310 3.221 9.752 1.00 0.00 O ATOM 1841 CB TRP A 113 1.838 2.535 10.160 1.00 0.00 C ATOM 1842 CG TRP A 113 1.732 3.943 10.659 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.529 4.995 10.311 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.787 4.449 11.609 1.00 0.00 C ATOM 1845 NE1 TRP A 113 2.129 6.129 10.977 1.00 0.00 N ATOM 1846 CE2 TRP A 113 1.063 5.819 11.780 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.268 3.881 12.327 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.324 6.627 12.640 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.001 4.683 13.182 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.702 6.043 13.331 1.00 0.00 C ATOM 0 H TRP A 113 0.637 3.990 8.154 1.00 0.00 H new ATOM 0 HA TRP A 113 0.931 1.126 8.809 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.788 1.855 11.010 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.816 2.397 9.698 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.353 4.944 9.615 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.556 7.051 10.888 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.507 2.834 12.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.552 7.676 12.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.817 4.254 13.744 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.294 6.643 14.006 1.00 0.00 H new ATOM 1861 N ILE A 114 -0.959 1.124 10.503 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.217 1.035 11.228 1.00 0.00 C ATOM 1863 C ILE A 114 -1.927 0.751 12.693 1.00 0.00 C ATOM 1864 O ILE A 114 -0.992 0.016 13.009 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.159 -0.072 10.678 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.537 -0.804 9.482 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.504 0.523 10.291 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -2.336 0.080 8.269 1.00 0.00 C ATOM 0 H ILE A 114 -0.381 0.286 10.566 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.729 1.989 11.101 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.308 -0.803 11.472 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.575 -1.220 9.781 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.176 -1.643 9.208 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.153 -0.264 9.907 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.965 0.979 11.167 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.359 1.281 9.521 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.893 -0.504 7.463 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.298 0.476 7.944 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.672 0.905 8.526 1.00 0.00 H new ATOM 1880 N ASP A 115 -2.719 1.324 13.589 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.502 1.106 15.009 1.00 0.00 C ATOM 1882 C ASP A 115 -3.208 -0.169 15.450 1.00 0.00 C ATOM 1883 O ASP A 115 -4.322 -0.465 15.014 1.00 0.00 O ATOM 1884 CB ASP A 115 -2.980 2.311 15.825 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.423 2.194 16.254 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.264 1.859 15.398 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -4.708 2.428 17.445 1.00 0.00 O ATOM 0 H ASP A 115 -3.505 1.933 13.362 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.433 0.991 15.188 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.351 2.418 16.709 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -2.854 3.217 15.233 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.530 -0.934 16.290 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.048 -2.205 16.771 1.00 0.00 C ATOM 1894 C LEU A 116 -4.151 -2.051 17.820 1.00 0.00 C ATOM 1895 O LEU A 116 -4.522 -3.030 18.468 1.00 0.00 O ATOM 1896 CB LEU A 116 -1.896 -3.033 17.335 1.00 0.00 C ATOM 1897 CG LEU A 116 -0.637 -3.051 16.458 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.605 -2.758 17.288 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.502 -4.386 15.736 1.00 0.00 C ATOM 0 H LEU A 116 -1.609 -0.693 16.656 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.505 -2.712 15.921 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.633 -2.644 18.319 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.238 -4.058 17.479 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.735 -2.267 15.707 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.485 -2.776 16.645 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.512 -1.774 17.748 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.709 -3.514 18.067 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.397 -4.377 15.120 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.432 -5.190 16.468 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.374 -4.547 15.103 1.00 0.00 H new ATOM 1911 N HIS A 117 -4.690 -0.844 17.988 1.00 0.00 N ATOM 1912 CA HIS A 117 -5.758 -0.642 18.962 1.00 0.00 C ATOM 1913 C HIS A 117 -7.070 -0.308 18.257 1.00 0.00 C ATOM 1914 O HIS A 117 -8.016 -1.095 18.279 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.382 0.480 19.934 1.00 0.00 C ATOM 1916 CG HIS A 117 -6.474 0.840 20.894 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -6.432 0.526 22.236 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -7.646 1.491 20.698 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -7.529 0.967 22.825 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -8.281 1.557 21.913 1.00 0.00 N ATOM 0 H HIS A 117 -4.411 -0.008 17.474 1.00 0.00 H new ATOM 0 HA HIS A 117 -5.892 -1.566 19.524 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -4.500 0.178 20.498 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.107 1.366 19.362 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -8.012 1.884 19.761 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -7.770 0.863 23.873 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -9.188 1.992 22.084 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.112 0.855 17.621 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.300 1.289 16.890 1.00 0.00 C ATOM 1931 C ARG A 118 -8.261 0.832 15.432 1.00 0.00 C ATOM 1932 O ARG A 118 -9.241 0.989 14.703 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.461 2.812 16.961 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.146 3.573 16.922 1.00 0.00 C ATOM 1935 CD ARG A 118 -7.374 5.076 16.877 1.00 0.00 C ATOM 1936 NE ARG A 118 -6.122 5.813 16.716 1.00 0.00 N ATOM 1937 CZ ARG A 118 -6.035 7.023 16.169 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -7.125 7.644 15.734 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -4.855 7.617 16.061 1.00 0.00 N ATOM 0 H ARG A 118 -6.337 1.517 17.595 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.161 0.823 17.368 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.084 3.141 16.130 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.991 3.069 17.878 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -6.552 3.320 17.800 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.571 3.265 16.049 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -8.045 5.317 16.053 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -7.868 5.396 17.794 1.00 0.00 H new ATOM 0 HE ARG A 118 -5.262 5.373 17.043 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.036 7.194 15.818 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -7.051 8.571 15.316 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -4.015 7.147 16.397 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -4.787 8.544 15.642 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.121 0.287 15.001 1.00 0.00 N ATOM 1954 CA LEU A 119 -6.958 -0.165 13.623 1.00 0.00 C ATOM 1955 C LEU A 119 -6.991 1.018 12.665 1.00 0.00 C ATOM 1956 O LEU A 119 -7.455 0.913 11.528 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.046 -1.159 13.251 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.112 -2.415 14.125 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -8.969 -3.482 13.462 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -6.712 -2.948 14.399 1.00 0.00 C ATOM 0 H LEU A 119 -6.299 0.149 15.589 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.989 -0.659 13.543 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.010 -0.652 13.299 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.897 -1.465 12.215 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.571 -2.148 15.077 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.004 -4.367 14.097 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.979 -3.099 13.317 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.539 -3.746 12.496 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.778 -3.840 15.021 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.227 -3.198 13.456 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.128 -2.187 14.917 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.490 2.140 13.146 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.437 3.366 12.361 1.00 0.00 C ATOM 1974 C ASP A 120 -5.041 3.975 12.434 1.00 0.00 C ATOM 1975 O ASP A 120 -4.379 3.901 13.470 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.478 4.369 12.867 1.00 0.00 C ATOM 1977 CG ASP A 120 -8.503 4.724 11.808 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -8.244 5.659 11.021 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.564 4.066 11.765 1.00 0.00 O ATOM 0 H ASP A 120 -6.109 2.231 14.088 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.663 3.125 11.322 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.987 3.952 13.736 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -6.973 5.276 13.198 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.593 4.569 11.334 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.275 5.170 11.312 1.00 0.00 C ATOM 1986 C GLY A 121 -3.132 6.242 10.251 1.00 0.00 C ATOM 1987 O GLY A 121 -3.982 7.123 10.131 1.00 0.00 O ATOM 0 H GLY A 121 -5.116 4.645 10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.063 5.603 12.289 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.530 4.393 11.139 1.00 0.00 H new ATOM 1991 N MET A 122 -2.048 6.171 9.484 1.00 0.00 N ATOM 1992 CA MET A 122 -1.795 7.153 8.435 1.00 0.00 C ATOM 1993 C MET A 122 -1.078 6.526 7.245 1.00 0.00 C ATOM 1994 O MET A 122 -0.113 5.779 7.409 1.00 0.00 O ATOM 1995 CB MET A 122 -0.960 8.313 8.984 1.00 0.00 C ATOM 1996 CG MET A 122 -1.390 8.776 10.367 1.00 0.00 C ATOM 1997 SD MET A 122 -0.888 10.472 10.718 1.00 0.00 S ATOM 1998 CE MET A 122 -2.461 11.319 10.603 1.00 0.00 C ATOM 0 H MET A 122 -1.334 5.447 9.568 1.00 0.00 H new ATOM 0 HA MET A 122 -2.760 7.528 8.095 1.00 0.00 H new ATOM 0 HB2 MET A 122 0.086 8.010 9.021 1.00 0.00 H new ATOM 0 HB3 MET A 122 -1.024 9.154 8.293 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.474 8.697 10.452 1.00 0.00 H new ATOM 0 HG3 MET A 122 -0.962 8.112 11.118 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.573 11.995 11.451 1.00 0.00 H new ATOM 0 HE2 MET A 122 -2.499 11.891 9.676 1.00 0.00 H new ATOM 0 HE3 MET A 122 -3.269 10.588 10.612 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.552 6.845 6.045 1.00 0.00 N ATOM 2009 CA GLY A 123 -0.945 6.318 4.837 1.00 0.00 C ATOM 2010 C GLY A 123 -0.468 7.422 3.915 1.00 0.00 C ATOM 2011 O GLY A 123 -0.520 8.598 4.272 1.00 0.00 O ATOM 0 H GLY A 123 -2.349 7.462 5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.103 5.679 5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.667 5.693 4.311 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.004 7.049 2.727 1.00 0.00 N ATOM 2016 CA CYS A 124 0.479 8.030 1.762 1.00 0.00 C ATOM 2017 C CYS A 124 0.869 7.362 0.449 1.00 0.00 C ATOM 2018 O CYS A 124 1.337 6.223 0.436 1.00 0.00 O ATOM 2019 CB CYS A 124 1.675 8.792 2.335 1.00 0.00 C ATOM 2020 SG CYS A 124 3.156 7.780 2.573 1.00 0.00 S ATOM 0 H CYS A 124 0.048 6.081 2.411 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.330 8.732 1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.918 9.619 1.668 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.389 9.228 3.292 1.00 0.00 H new ATOM 0 HG CYS A 124 3.963 7.948 1.567 1.00 0.00 H new ATOM 2026 N LEU A 125 0.676 8.076 -0.656 1.00 0.00 N ATOM 2027 CA LEU A 125 1.015 7.543 -1.971 1.00 0.00 C ATOM 2028 C LEU A 125 2.339 8.118 -2.476 1.00 0.00 C ATOM 2029 O LEU A 125 2.623 9.301 -2.302 1.00 0.00 O ATOM 2030 CB LEU A 125 -0.102 7.839 -2.979 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.419 7.089 -2.749 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.328 7.234 -3.960 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -1.160 5.621 -2.449 1.00 0.00 C ATOM 0 H LEU A 125 0.289 9.020 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 125 1.125 6.463 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.307 8.909 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.262 7.599 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.917 7.528 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.259 6.696 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.544 8.289 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.832 6.821 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.109 5.109 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.638 5.164 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.546 5.536 -1.552 1.00 0.00 H new ATOM 2045 N GLU A 126 3.139 7.268 -3.109 1.00 0.00 N ATOM 2046 CA GLU A 126 4.429 7.673 -3.654 1.00 0.00 C ATOM 2047 C GLU A 126 4.760 6.816 -4.869 1.00 0.00 C ATOM 2048 O GLU A 126 4.906 5.602 -4.755 1.00 0.00 O ATOM 2049 CB GLU A 126 5.526 7.537 -2.595 1.00 0.00 C ATOM 2050 CG GLU A 126 6.022 8.870 -2.059 1.00 0.00 C ATOM 2051 CD GLU A 126 5.720 9.056 -0.585 1.00 0.00 C ATOM 2052 OE1 GLU A 126 4.687 8.530 -0.119 1.00 0.00 O ATOM 2053 OE2 GLU A 126 6.516 9.728 0.104 1.00 0.00 O ATOM 0 H GLU A 126 2.914 6.284 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 126 4.374 8.719 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.147 6.940 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 126 6.367 6.991 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 126 7.098 8.943 -2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.561 9.679 -2.625 1.00 0.00 H new ATOM 2060 N PHE A 127 4.860 7.444 -6.033 1.00 0.00 N ATOM 2061 CA PHE A 127 5.148 6.723 -7.262 1.00 0.00 C ATOM 2062 C PHE A 127 6.630 6.357 -7.364 1.00 0.00 C ATOM 2063 O PHE A 127 7.505 7.129 -6.975 1.00 0.00 O ATOM 2064 CB PHE A 127 4.671 7.552 -8.467 1.00 0.00 C ATOM 2065 CG PHE A 127 5.698 7.768 -9.540 1.00 0.00 C ATOM 2066 CD1 PHE A 127 6.269 6.695 -10.196 1.00 0.00 C ATOM 2067 CD2 PHE A 127 6.085 9.049 -9.891 1.00 0.00 C ATOM 2068 CE1 PHE A 127 7.212 6.890 -11.181 1.00 0.00 C ATOM 2069 CE2 PHE A 127 7.029 9.253 -10.879 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.595 8.171 -11.524 1.00 0.00 C ATOM 0 H PHE A 127 4.746 8.451 -6.150 1.00 0.00 H new ATOM 0 HA PHE A 127 4.602 5.780 -7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.806 7.057 -8.909 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.334 8.524 -8.108 1.00 0.00 H new ATOM 0 HD1 PHE A 127 5.972 5.690 -9.933 1.00 0.00 H new ATOM 0 HD2 PHE A 127 5.645 9.897 -9.388 1.00 0.00 H new ATOM 0 HE1 PHE A 127 7.651 6.041 -11.684 1.00 0.00 H new ATOM 0 HE2 PHE A 127 7.324 10.257 -11.146 1.00 0.00 H new ATOM 0 HZ PHE A 127 8.335 8.327 -12.295 1.00 0.00 H new ATOM 2080 N ASP A 128 6.890 5.160 -7.889 1.00 0.00 N ATOM 2081 CA ASP A 128 8.249 4.658 -8.049 1.00 0.00 C ATOM 2082 C ASP A 128 8.770 4.896 -9.467 1.00 0.00 C ATOM 2083 O ASP A 128 8.326 4.249 -10.416 1.00 0.00 O ATOM 2084 CB ASP A 128 8.297 3.162 -7.737 1.00 0.00 C ATOM 2085 CG ASP A 128 9.527 2.776 -6.939 1.00 0.00 C ATOM 2086 OD1 ASP A 128 10.062 3.643 -6.215 1.00 0.00 O ATOM 2087 OD2 ASP A 128 9.957 1.607 -7.037 1.00 0.00 O ATOM 0 H ASP A 128 6.168 4.517 -8.213 1.00 0.00 H new ATOM 0 HA ASP A 128 8.886 5.202 -7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 128 7.403 2.881 -7.180 1.00 0.00 H new ATOM 0 HB3 ASP A 128 8.281 2.599 -8.670 1.00 0.00 H new ATOM 2092 N GLU A 129 9.718 5.816 -9.604 1.00 0.00 N ATOM 2093 CA GLU A 129 10.307 6.128 -10.905 1.00 0.00 C ATOM 2094 C GLU A 129 11.312 5.056 -11.332 1.00 0.00 C ATOM 2095 O GLU A 129 11.842 5.103 -12.442 1.00 0.00 O ATOM 2096 CB GLU A 129 10.997 7.494 -10.865 1.00 0.00 C ATOM 2097 CG GLU A 129 10.197 8.565 -10.138 1.00 0.00 C ATOM 2098 CD GLU A 129 11.014 9.290 -9.086 1.00 0.00 C ATOM 2099 OE1 GLU A 129 11.728 10.249 -9.446 1.00 0.00 O ATOM 2100 OE2 GLU A 129 10.940 8.897 -7.902 1.00 0.00 O ATOM 0 H GLU A 129 10.097 6.361 -8.830 1.00 0.00 H new ATOM 0 HA GLU A 129 9.499 6.153 -11.636 1.00 0.00 H new ATOM 0 HB2 GLU A 129 11.967 7.386 -10.380 1.00 0.00 H new ATOM 0 HB3 GLU A 129 11.186 7.825 -11.886 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.822 9.287 -10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.328 8.106 -9.666 1.00 0.00 H new