USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 829 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot 100:sc= -0.426 USER MOD Set 1.2: A 75 TYR OH : rot 150:sc= -0.0171 USER MOD Set 2.1: A 59 SER OG : rot -138:sc= 1.33 USER MOD Set 2.2: A 94 HIS : no HE2:sc= 1.74 K(o=3.1,f=-7.4!) USER MOD Set 3.1: A 39 ASN : amide:sc= -0.646 K(o=-0.46,f=-1.2) USER MOD Set 3.2: A 47 THR OG1 : rot 90:sc= 0.183 USER MOD Set 4.1: A 37 TYR OH : rot 180:sc= 0.938 USER MOD Set 4.2: A 77 ASN : amide:sc= 1.15 K(o=2.1,f=0.58) USER MOD Set 5.1: A 23 THR OG1 : rot -38:sc= 1.37 USER MOD Set 5.2: A 74 HIS : no HD1:sc=-0.00857 X(o=1.4,f=1.2) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0432) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-0.000845 X(o=-0.00085,f=-0.031) USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= 0.526 (180deg=0.249) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.532 USER MOD Single : A 34 ASN : amide:sc= 0.88 K(o=0.88,f=-1.5!) USER MOD Single : A 35 TYR OH : rot 36:sc= 0.287 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= 0.19 K(o=0.19,f=-6.4!) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0178) USER MOD Single : A 60 SER OG : rot 66:sc= 1.23 USER MOD Single : A 61 SER OG : rot 69:sc= 0.0258 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= -0.058 (180deg=-0.318) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0435 USER MOD Single : A 72 CYS SG : rot 125:sc= 0.93 USER MOD Single : A 76 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.1) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -7.92! C(o=-7.9!,f=-12!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.072 USER MOD Single : A 98 SER OG : rot 170:sc= -0.756 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0033) USER MOD ----------------------------------------------------------------- ATOM 20 N TYR A 2 -8.159 -7.598 8.989 1.00 0.00 N ATOM 21 CA TYR A 2 -7.299 -6.828 8.106 1.00 0.00 C ATOM 22 C TYR A 2 -7.966 -6.672 6.745 1.00 0.00 C ATOM 23 O TYR A 2 -9.177 -6.861 6.615 1.00 0.00 O ATOM 24 CB TYR A 2 -5.948 -7.522 7.940 1.00 0.00 C ATOM 25 CG TYR A 2 -5.157 -7.688 9.217 1.00 0.00 C ATOM 26 CD1 TYR A 2 -4.319 -6.680 9.675 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.237 -8.861 9.959 1.00 0.00 C ATOM 28 CE1 TYR A 2 -3.588 -6.831 10.836 1.00 0.00 C ATOM 29 CE2 TYR A 2 -4.510 -9.020 11.121 1.00 0.00 C ATOM 30 CZ TYR A 2 -3.687 -8.002 11.555 1.00 0.00 C ATOM 31 OH TYR A 2 -2.957 -8.159 12.709 1.00 0.00 O ATOM 0 HA TYR A 2 -7.137 -5.844 8.546 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -6.113 -8.506 7.501 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.348 -6.953 7.230 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -4.238 -5.761 9.113 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.879 -9.661 9.620 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -2.942 -6.036 11.179 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -4.585 -9.936 11.687 1.00 0.00 H new ATOM 0 HH TYR A 2 -3.142 -9.040 13.096 1.00 0.00 H new ATOM 41 N LEU A 3 -7.174 -6.333 5.737 1.00 0.00 N ATOM 42 CA LEU A 3 -7.670 -6.197 4.376 1.00 0.00 C ATOM 43 C LEU A 3 -6.938 -7.170 3.463 1.00 0.00 C ATOM 44 O LEU A 3 -5.729 -7.344 3.588 1.00 0.00 O ATOM 45 CB LEU A 3 -7.463 -4.765 3.873 1.00 0.00 C ATOM 46 CG LEU A 3 -8.128 -3.671 4.711 1.00 0.00 C ATOM 47 CD1 LEU A 3 -7.793 -2.299 4.150 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.633 -3.874 4.754 1.00 0.00 C ATOM 0 H LEU A 3 -6.177 -6.146 5.839 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.736 -6.422 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.392 -4.565 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.842 -4.698 2.853 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.744 -3.733 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.273 -1.531 4.756 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.713 -2.153 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.152 -2.228 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.089 -3.087 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.034 -3.837 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.857 -4.844 5.197 1.00 0.00 H new ATOM 60 N ARG A 4 -7.670 -7.807 2.556 1.00 0.00 N ATOM 61 CA ARG A 4 -7.061 -8.712 1.583 1.00 0.00 C ATOM 62 C ARG A 4 -6.100 -7.938 0.686 1.00 0.00 C ATOM 63 O ARG A 4 -6.271 -6.733 0.491 1.00 0.00 O ATOM 64 CB ARG A 4 -8.128 -9.368 0.702 1.00 0.00 C ATOM 65 CG ARG A 4 -9.199 -10.133 1.456 1.00 0.00 C ATOM 66 CD ARG A 4 -10.293 -10.581 0.503 1.00 0.00 C ATOM 67 NE ARG A 4 -11.345 -11.343 1.172 1.00 0.00 N ATOM 68 CZ ARG A 4 -12.622 -10.969 1.209 1.00 0.00 C ATOM 69 NH1 ARG A 4 -12.980 -9.774 0.755 1.00 0.00 N ATOM 70 NH2 ARG A 4 -13.535 -11.781 1.725 1.00 0.00 N ATOM 0 H ARG A 4 -8.682 -7.715 2.473 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.526 -9.485 2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.609 -8.595 0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.636 -10.050 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.758 -11.000 1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.623 -9.503 2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.732 -9.706 0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -9.854 -11.191 -0.287 1.00 0.00 H new ATOM 0 HE ARG A 4 -11.086 -12.212 1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.276 -9.140 0.377 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.959 -9.490 0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -13.258 -12.691 2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.514 -11.495 1.754 1.00 0.00 H new ATOM 84 N PRO A 5 -5.088 -8.607 0.117 1.00 0.00 N ATOM 85 CA PRO A 5 -4.170 -7.970 -0.828 1.00 0.00 C ATOM 86 C PRO A 5 -4.932 -7.363 -2.009 1.00 0.00 C ATOM 87 O PRO A 5 -4.753 -6.189 -2.345 1.00 0.00 O ATOM 88 CB PRO A 5 -3.251 -9.119 -1.285 1.00 0.00 C ATOM 89 CG PRO A 5 -3.956 -10.372 -0.882 1.00 0.00 C ATOM 90 CD PRO A 5 -4.755 -10.022 0.341 1.00 0.00 C ATOM 0 HA PRO A 5 -3.614 -7.144 -0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.089 -9.088 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.271 -9.050 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.604 -10.730 -1.682 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.244 -11.169 -0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.649 -10.639 0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.178 -10.162 1.255 1.00 0.00 H new ATOM 98 N ASP A 6 -5.790 -8.173 -2.633 1.00 0.00 N ATOM 99 CA ASP A 6 -6.656 -7.703 -3.716 1.00 0.00 C ATOM 100 C ASP A 6 -7.618 -6.610 -3.236 1.00 0.00 C ATOM 101 O ASP A 6 -7.962 -5.708 -3.994 1.00 0.00 O ATOM 102 CB ASP A 6 -7.440 -8.868 -4.341 1.00 0.00 C ATOM 103 CG ASP A 6 -8.515 -9.437 -3.434 1.00 0.00 C ATOM 104 OD1 ASP A 6 -8.177 -10.223 -2.523 1.00 0.00 O ATOM 105 OD2 ASP A 6 -9.703 -9.115 -3.643 1.00 0.00 O ATOM 0 H ASP A 6 -5.904 -9.161 -2.406 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.010 -7.270 -4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.902 -8.527 -5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.743 -9.663 -4.606 1.00 0.00 H new ATOM 110 N GLU A 7 -8.037 -6.693 -1.973 1.00 0.00 N ATOM 111 CA GLU A 7 -8.964 -5.716 -1.397 1.00 0.00 C ATOM 112 C GLU A 7 -8.307 -4.337 -1.337 1.00 0.00 C ATOM 113 O GLU A 7 -8.923 -3.323 -1.676 1.00 0.00 O ATOM 114 CB GLU A 7 -9.390 -6.159 0.010 1.00 0.00 C ATOM 115 CG GLU A 7 -10.478 -5.304 0.639 1.00 0.00 C ATOM 116 CD GLU A 7 -11.851 -5.566 0.049 1.00 0.00 C ATOM 117 OE1 GLU A 7 -12.460 -6.606 0.391 1.00 0.00 O ATOM 118 OE2 GLU A 7 -12.337 -4.725 -0.733 1.00 0.00 O ATOM 0 H GLU A 7 -7.749 -7.428 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.849 -5.656 -2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.739 -7.191 -0.038 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.516 -6.148 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.507 -5.494 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.227 -4.251 0.508 1.00 0.00 H new ATOM 125 N VAL A 8 -7.045 -4.313 -0.916 1.00 0.00 N ATOM 126 CA VAL A 8 -6.267 -3.078 -0.882 1.00 0.00 C ATOM 127 C VAL A 8 -6.169 -2.476 -2.282 1.00 0.00 C ATOM 128 O VAL A 8 -6.305 -1.264 -2.465 1.00 0.00 O ATOM 129 CB VAL A 8 -4.845 -3.319 -0.320 1.00 0.00 C ATOM 130 CG1 VAL A 8 -4.023 -2.038 -0.342 1.00 0.00 C ATOM 131 CG2 VAL A 8 -4.919 -3.876 1.093 1.00 0.00 C ATOM 0 H VAL A 8 -6.538 -5.137 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.783 -2.382 -0.221 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.350 -4.050 -0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.029 -2.237 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.936 -1.679 -1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.515 -1.280 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.911 -4.040 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.439 -3.167 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.461 -4.822 1.083 1.00 0.00 H new ATOM 141 N ALA A 9 -5.961 -3.341 -3.271 1.00 0.00 N ATOM 142 CA ALA A 9 -5.875 -2.918 -4.663 1.00 0.00 C ATOM 143 C ALA A 9 -7.167 -2.237 -5.114 1.00 0.00 C ATOM 144 O ALA A 9 -7.132 -1.258 -5.863 1.00 0.00 O ATOM 145 CB ALA A 9 -5.563 -4.109 -5.554 1.00 0.00 C ATOM 0 H ALA A 9 -5.848 -4.345 -3.131 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.067 -2.192 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.501 -3.781 -6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.611 -4.548 -5.255 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.353 -4.854 -5.455 1.00 0.00 H new ATOM 151 N ARG A 10 -8.301 -2.754 -4.646 1.00 0.00 N ATOM 152 CA ARG A 10 -9.603 -2.183 -4.987 1.00 0.00 C ATOM 153 C ARG A 10 -9.686 -0.732 -4.530 1.00 0.00 C ATOM 154 O ARG A 10 -10.072 0.152 -5.297 1.00 0.00 O ATOM 155 CB ARG A 10 -10.739 -2.975 -4.334 1.00 0.00 C ATOM 156 CG ARG A 10 -10.696 -4.469 -4.595 1.00 0.00 C ATOM 157 CD ARG A 10 -11.824 -5.178 -3.865 1.00 0.00 C ATOM 158 NE ARG A 10 -11.623 -6.625 -3.790 1.00 0.00 N ATOM 159 CZ ARG A 10 -12.577 -7.489 -3.442 1.00 0.00 C ATOM 160 NH1 ARG A 10 -13.815 -7.060 -3.219 1.00 0.00 N ATOM 161 NH2 ARG A 10 -12.286 -8.777 -3.316 1.00 0.00 N ATOM 0 H ARG A 10 -8.345 -3.566 -4.030 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.709 -2.233 -6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.711 -2.806 -3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.691 -2.584 -4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.775 -4.658 -5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.737 -4.872 -4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.910 -4.774 -2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.766 -4.972 -4.372 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.700 -6.994 -4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.036 -6.069 -3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.544 -7.722 -2.953 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.335 -9.104 -3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.014 -9.441 -3.050 1.00 0.00 H new ATOM 175 N VAL A 11 -9.311 -0.502 -3.277 1.00 0.00 N ATOM 176 CA VAL A 11 -9.352 0.833 -2.688 1.00 0.00 C ATOM 177 C VAL A 11 -8.446 1.790 -3.457 1.00 0.00 C ATOM 178 O VAL A 11 -8.821 2.931 -3.735 1.00 0.00 O ATOM 179 CB VAL A 11 -8.926 0.803 -1.203 1.00 0.00 C ATOM 180 CG1 VAL A 11 -9.058 2.183 -0.573 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.747 -0.217 -0.427 1.00 0.00 C ATOM 0 H VAL A 11 -8.973 -1.228 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.382 1.185 -2.749 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.878 0.506 -1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.752 2.137 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.421 2.889 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.095 2.513 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.430 -0.221 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.803 0.046 -0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.596 -1.208 -0.856 1.00 0.00 H new ATOM 191 N LEU A 12 -7.262 1.305 -3.817 1.00 0.00 N ATOM 192 CA LEU A 12 -6.303 2.103 -4.570 1.00 0.00 C ATOM 193 C LEU A 12 -6.895 2.557 -5.902 1.00 0.00 C ATOM 194 O LEU A 12 -6.936 3.753 -6.193 1.00 0.00 O ATOM 195 CB LEU A 12 -5.016 1.308 -4.810 1.00 0.00 C ATOM 196 CG LEU A 12 -4.231 0.935 -3.548 1.00 0.00 C ATOM 197 CD1 LEU A 12 -3.016 0.096 -3.904 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.809 2.187 -2.797 1.00 0.00 C ATOM 0 H LEU A 12 -6.944 0.361 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.066 2.989 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.269 0.392 -5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.366 1.890 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.880 0.344 -2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.471 -0.159 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.338 -0.818 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.365 0.662 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.253 1.905 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.177 2.801 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.694 2.754 -2.509 1.00 0.00 H new ATOM 210 N GLU A 13 -7.360 1.601 -6.702 1.00 0.00 N ATOM 211 CA GLU A 13 -7.937 1.902 -8.005 1.00 0.00 C ATOM 212 C GLU A 13 -9.161 2.810 -7.887 1.00 0.00 C ATOM 213 O GLU A 13 -9.432 3.617 -8.778 1.00 0.00 O ATOM 214 CB GLU A 13 -8.306 0.611 -8.725 1.00 0.00 C ATOM 215 CG GLU A 13 -7.105 -0.238 -9.099 1.00 0.00 C ATOM 216 CD GLU A 13 -7.447 -1.299 -10.119 1.00 0.00 C ATOM 217 OE1 GLU A 13 -8.071 -2.315 -9.749 1.00 0.00 O ATOM 218 OE2 GLU A 13 -7.111 -1.116 -11.307 1.00 0.00 O ATOM 0 H GLU A 13 -7.347 0.608 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.185 2.437 -8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.970 0.026 -8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.864 0.855 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.319 0.404 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.706 -0.714 -8.203 1.00 0.00 H new ATOM 225 N LYS A 14 -9.890 2.679 -6.786 1.00 0.00 N ATOM 226 CA LYS A 14 -11.055 3.517 -6.532 1.00 0.00 C ATOM 227 C LYS A 14 -10.624 4.965 -6.351 1.00 0.00 C ATOM 228 O LYS A 14 -11.254 5.890 -6.860 1.00 0.00 O ATOM 229 CB LYS A 14 -11.779 3.044 -5.275 1.00 0.00 C ATOM 230 CG LYS A 14 -13.200 3.571 -5.152 1.00 0.00 C ATOM 231 CD LYS A 14 -14.068 3.109 -6.312 1.00 0.00 C ATOM 232 CE LYS A 14 -15.462 3.711 -6.248 1.00 0.00 C ATOM 233 NZ LYS A 14 -16.216 3.269 -5.046 1.00 0.00 N ATOM 0 H LYS A 14 -9.694 1.998 -6.052 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.730 3.443 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.803 1.954 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.209 3.355 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.635 3.231 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.184 4.660 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.595 3.387 -7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.141 2.021 -6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.385 4.798 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.017 3.432 -7.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.197 3.609 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.212 2.230 -4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.767 3.658 -4.192 1.00 0.00 H new ATOM 247 N ALA A 15 -9.536 5.135 -5.615 1.00 0.00 N ATOM 248 CA ALA A 15 -8.967 6.456 -5.351 1.00 0.00 C ATOM 249 C ALA A 15 -8.355 7.076 -6.610 1.00 0.00 C ATOM 250 O ALA A 15 -8.041 8.266 -6.635 1.00 0.00 O ATOM 251 CB ALA A 15 -7.921 6.364 -4.246 1.00 0.00 C ATOM 0 H ALA A 15 -9.021 4.367 -5.184 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.779 7.107 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.503 7.353 -4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.386 5.986 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.125 5.687 -4.554 1.00 0.00 H new ATOM 257 N GLY A 16 -8.187 6.270 -7.652 1.00 0.00 N ATOM 258 CA GLY A 16 -7.626 6.773 -8.893 1.00 0.00 C ATOM 259 C GLY A 16 -6.239 6.227 -9.167 1.00 0.00 C ATOM 260 O GLY A 16 -5.581 6.631 -10.129 1.00 0.00 O ATOM 0 H GLY A 16 -8.429 5.279 -7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.286 6.510 -9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.583 7.861 -8.854 1.00 0.00 H new ATOM 264 N PHE A 17 -5.788 5.317 -8.318 1.00 0.00 N ATOM 265 CA PHE A 17 -4.485 4.689 -8.483 1.00 0.00 C ATOM 266 C PHE A 17 -4.523 3.647 -9.594 1.00 0.00 C ATOM 267 O PHE A 17 -5.573 3.077 -9.883 1.00 0.00 O ATOM 268 CB PHE A 17 -4.054 4.016 -7.184 1.00 0.00 C ATOM 269 CG PHE A 17 -3.417 4.928 -6.178 1.00 0.00 C ATOM 270 CD1 PHE A 17 -4.193 5.651 -5.288 1.00 0.00 C ATOM 271 CD2 PHE A 17 -2.039 5.051 -6.116 1.00 0.00 C ATOM 272 CE1 PHE A 17 -3.605 6.484 -4.355 1.00 0.00 C ATOM 273 CE2 PHE A 17 -1.445 5.881 -5.183 1.00 0.00 C ATOM 274 CZ PHE A 17 -2.231 6.599 -4.302 1.00 0.00 C ATOM 0 H PHE A 17 -6.309 4.995 -7.502 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.770 5.468 -8.748 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.927 3.549 -6.727 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.353 3.216 -7.422 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.269 5.563 -5.323 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.421 4.493 -6.804 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.221 7.045 -3.668 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.369 5.968 -5.143 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.771 7.249 -3.573 1.00 0.00 H new ATOM 284 N THR A 18 -3.374 3.395 -10.208 1.00 0.00 N ATOM 285 CA THR A 18 -3.266 2.373 -11.241 1.00 0.00 C ATOM 286 C THR A 18 -1.998 1.555 -11.043 1.00 0.00 C ATOM 287 O THR A 18 -1.011 2.057 -10.502 1.00 0.00 O ATOM 288 CB THR A 18 -3.263 2.985 -12.661 1.00 0.00 C ATOM 289 OG1 THR A 18 -2.269 4.016 -12.757 1.00 0.00 O ATOM 290 CG2 THR A 18 -4.629 3.553 -13.015 1.00 0.00 C ATOM 0 H THR A 18 -2.502 3.885 -10.008 1.00 0.00 H new ATOM 0 HA THR A 18 -4.141 1.729 -11.150 1.00 0.00 H new ATOM 0 HB THR A 18 -3.026 2.190 -13.368 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.276 4.394 -13.661 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.598 3.977 -14.019 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.374 2.758 -12.980 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.895 4.332 -12.300 1.00 0.00 H new ATOM 298 N VAL A 19 -2.028 0.297 -11.454 1.00 0.00 N ATOM 299 CA VAL A 19 -0.865 -0.566 -11.317 1.00 0.00 C ATOM 300 C VAL A 19 0.102 -0.358 -12.485 1.00 0.00 C ATOM 301 O VAL A 19 -0.317 -0.095 -13.616 1.00 0.00 O ATOM 302 CB VAL A 19 -1.271 -2.058 -11.214 1.00 0.00 C ATOM 303 CG1 VAL A 19 -1.777 -2.594 -12.546 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.117 -2.899 -10.686 1.00 0.00 C ATOM 0 H VAL A 19 -2.840 -0.147 -11.883 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.361 -0.292 -10.390 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.094 -2.128 -10.502 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.052 -3.643 -12.435 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.649 -2.021 -12.861 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.992 -2.502 -13.297 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.426 -3.942 -10.623 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.734 -2.813 -11.361 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.168 -2.544 -9.696 1.00 0.00 H new ATOM 314 N ASP A 20 1.390 -0.439 -12.193 1.00 0.00 N ATOM 315 CA ASP A 20 2.429 -0.309 -13.208 1.00 0.00 C ATOM 316 C ASP A 20 3.029 -1.672 -13.508 1.00 0.00 C ATOM 317 O ASP A 20 2.937 -2.175 -14.630 1.00 0.00 O ATOM 318 CB ASP A 20 3.526 0.645 -12.728 1.00 0.00 C ATOM 319 CG ASP A 20 4.727 0.691 -13.655 1.00 0.00 C ATOM 320 OD1 ASP A 20 4.633 1.299 -14.741 1.00 0.00 O ATOM 321 OD2 ASP A 20 5.781 0.135 -13.288 1.00 0.00 O ATOM 0 H ASP A 20 1.746 -0.596 -11.250 1.00 0.00 H new ATOM 0 HA ASP A 20 1.983 0.097 -14.116 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.110 1.648 -12.633 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.854 0.340 -11.734 1.00 0.00 H new ATOM 326 N VAL A 21 3.630 -2.268 -12.490 1.00 0.00 N ATOM 327 CA VAL A 21 4.215 -3.594 -12.606 1.00 0.00 C ATOM 328 C VAL A 21 3.404 -4.592 -11.792 1.00 0.00 C ATOM 329 O VAL A 21 2.880 -4.251 -10.731 1.00 0.00 O ATOM 330 CB VAL A 21 5.686 -3.606 -12.113 1.00 0.00 C ATOM 331 CG1 VAL A 21 5.776 -3.312 -10.616 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.355 -4.933 -12.436 1.00 0.00 C ATOM 0 H VAL A 21 3.726 -1.849 -11.565 1.00 0.00 H new ATOM 0 HA VAL A 21 4.200 -3.875 -13.659 1.00 0.00 H new ATOM 0 HB VAL A 21 6.215 -2.814 -12.642 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.820 -3.328 -10.304 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.352 -2.329 -10.412 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.220 -4.069 -10.062 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.385 -4.917 -12.081 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.814 -5.742 -11.945 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.346 -5.092 -13.514 1.00 0.00 H new ATOM 342 N VAL A 22 3.268 -5.809 -12.283 1.00 0.00 N ATOM 343 CA VAL A 22 2.644 -6.848 -11.493 1.00 0.00 C ATOM 344 C VAL A 22 3.565 -8.056 -11.398 1.00 0.00 C ATOM 345 O VAL A 22 4.096 -8.542 -12.396 1.00 0.00 O ATOM 346 CB VAL A 22 1.245 -7.275 -12.022 1.00 0.00 C ATOM 347 CG1 VAL A 22 0.417 -6.066 -12.421 1.00 0.00 C ATOM 348 CG2 VAL A 22 1.344 -8.270 -13.172 1.00 0.00 C ATOM 0 H VAL A 22 3.577 -6.098 -13.211 1.00 0.00 H new ATOM 0 HA VAL A 22 2.479 -6.427 -10.501 1.00 0.00 H new ATOM 0 HB VAL A 22 0.737 -7.781 -11.201 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.555 -6.396 -12.787 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.279 -5.418 -11.555 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.933 -5.515 -13.208 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.342 -8.539 -13.508 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.895 -7.819 -13.997 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.866 -9.165 -12.834 1.00 0.00 H new ATOM 358 N THR A 23 3.796 -8.497 -10.184 1.00 0.00 N ATOM 359 CA THR A 23 4.519 -9.726 -9.940 1.00 0.00 C ATOM 360 C THR A 23 3.701 -10.560 -8.976 1.00 0.00 C ATOM 361 O THR A 23 2.887 -10.011 -8.231 1.00 0.00 O ATOM 362 CB THR A 23 5.933 -9.468 -9.365 1.00 0.00 C ATOM 363 OG1 THR A 23 5.849 -8.752 -8.126 1.00 0.00 O ATOM 364 CG2 THR A 23 6.789 -8.680 -10.347 1.00 0.00 C ATOM 0 H THR A 23 3.489 -8.016 -9.338 1.00 0.00 H new ATOM 0 HA THR A 23 4.661 -10.250 -10.885 1.00 0.00 H new ATOM 0 HB THR A 23 6.400 -10.437 -9.192 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.125 -8.093 -8.177 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.777 -8.513 -9.917 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.888 -9.242 -11.276 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.316 -7.720 -10.553 1.00 0.00 H new ATOM 372 N ASN A 24 3.883 -11.867 -8.988 1.00 0.00 N ATOM 373 CA ASN A 24 3.101 -12.728 -8.108 1.00 0.00 C ATOM 374 C ASN A 24 3.461 -12.473 -6.643 1.00 0.00 C ATOM 375 O ASN A 24 2.754 -12.905 -5.733 1.00 0.00 O ATOM 376 CB ASN A 24 3.284 -14.213 -8.457 1.00 0.00 C ATOM 377 CG ASN A 24 4.700 -14.714 -8.240 1.00 0.00 C ATOM 378 OD1 ASN A 24 5.055 -15.160 -7.150 1.00 0.00 O ATOM 379 ND2 ASN A 24 5.507 -14.675 -9.286 1.00 0.00 N ATOM 0 H ASN A 24 4.552 -12.353 -9.585 1.00 0.00 H new ATOM 0 HA ASN A 24 2.050 -12.481 -8.258 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.600 -14.808 -7.852 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.007 -14.370 -9.499 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.463 -15.023 -9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.174 -14.297 -10.173 1.00 0.00 H new ATOM 386 N LYS A 25 4.568 -11.767 -6.425 1.00 0.00 N ATOM 387 CA LYS A 25 4.981 -11.375 -5.084 1.00 0.00 C ATOM 388 C LYS A 25 4.363 -10.047 -4.661 1.00 0.00 C ATOM 389 O LYS A 25 4.061 -9.841 -3.483 1.00 0.00 O ATOM 390 CB LYS A 25 6.500 -11.264 -5.005 1.00 0.00 C ATOM 391 CG LYS A 25 7.201 -12.604 -4.936 1.00 0.00 C ATOM 392 CD LYS A 25 8.686 -12.435 -4.690 1.00 0.00 C ATOM 393 CE LYS A 25 9.301 -13.723 -4.189 1.00 0.00 C ATOM 394 NZ LYS A 25 8.756 -14.108 -2.859 1.00 0.00 N ATOM 0 H LYS A 25 5.196 -11.454 -7.165 1.00 0.00 H new ATOM 0 HA LYS A 25 4.628 -12.151 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.862 -10.718 -5.876 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.768 -10.677 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.764 -13.205 -4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.044 -13.148 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.179 -12.127 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.850 -11.642 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.110 -14.521 -4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.383 -13.608 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.383 -14.811 -2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.697 -13.266 -2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.807 -14.516 -2.978 1.00 0.00 H new ATOM 408 N THR A 26 4.169 -9.145 -5.612 1.00 0.00 N ATOM 409 CA THR A 26 3.711 -7.805 -5.283 1.00 0.00 C ATOM 410 C THR A 26 3.218 -7.052 -6.521 1.00 0.00 C ATOM 411 O THR A 26 3.685 -7.286 -7.640 1.00 0.00 O ATOM 412 CB THR A 26 4.840 -6.998 -4.595 1.00 0.00 C ATOM 413 OG1 THR A 26 4.353 -5.726 -4.160 1.00 0.00 O ATOM 414 CG2 THR A 26 6.025 -6.796 -5.532 1.00 0.00 C ATOM 0 H THR A 26 4.320 -9.314 -6.607 1.00 0.00 H new ATOM 0 HA THR A 26 2.872 -7.911 -4.596 1.00 0.00 H new ATOM 0 HB THR A 26 5.174 -7.572 -3.731 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.156 -5.762 -3.201 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.801 -6.226 -5.020 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.424 -7.766 -5.829 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.699 -6.251 -6.418 1.00 0.00 H new ATOM 422 N TYR A 27 2.259 -6.163 -6.313 1.00 0.00 N ATOM 423 CA TYR A 27 1.779 -5.291 -7.370 1.00 0.00 C ATOM 424 C TYR A 27 2.358 -3.897 -7.188 1.00 0.00 C ATOM 425 O TYR A 27 2.153 -3.262 -6.152 1.00 0.00 O ATOM 426 CB TYR A 27 0.249 -5.214 -7.372 1.00 0.00 C ATOM 427 CG TYR A 27 -0.448 -6.464 -7.860 1.00 0.00 C ATOM 428 CD1 TYR A 27 0.238 -7.446 -8.563 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.804 -6.653 -7.625 1.00 0.00 C ATOM 430 CE1 TYR A 27 -0.406 -8.580 -9.017 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.455 -7.785 -8.072 1.00 0.00 C ATOM 432 CZ TYR A 27 -1.753 -8.745 -8.767 1.00 0.00 C ATOM 433 OH TYR A 27 -2.401 -9.871 -9.217 1.00 0.00 O ATOM 0 H TYR A 27 1.796 -6.027 -5.414 1.00 0.00 H new ATOM 0 HA TYR A 27 2.103 -5.705 -8.325 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.091 -4.997 -6.359 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.058 -4.376 -7.998 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.293 -7.321 -8.758 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.358 -5.901 -7.083 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.141 -9.333 -9.564 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.509 -7.917 -7.878 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.345 -9.832 -8.956 1.00 0.00 H new ATOM 443 N GLY A 28 3.076 -3.425 -8.192 1.00 0.00 N ATOM 444 CA GLY A 28 3.666 -2.106 -8.125 1.00 0.00 C ATOM 445 C GLY A 28 2.696 -1.046 -8.591 1.00 0.00 C ATOM 446 O GLY A 28 2.500 -0.855 -9.791 1.00 0.00 O ATOM 0 H GLY A 28 3.262 -3.934 -9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.974 -1.895 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.565 -2.076 -8.741 1.00 0.00 H new ATOM 450 N TYR A 29 2.084 -0.368 -7.643 1.00 0.00 N ATOM 451 CA TYR A 29 1.062 0.620 -7.933 1.00 0.00 C ATOM 452 C TYR A 29 1.655 2.018 -8.025 1.00 0.00 C ATOM 453 O TYR A 29 2.571 2.361 -7.283 1.00 0.00 O ATOM 454 CB TYR A 29 -0.013 0.560 -6.856 1.00 0.00 C ATOM 455 CG TYR A 29 -1.187 -0.310 -7.235 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.131 -1.689 -7.084 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.345 0.245 -7.762 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.195 -2.490 -7.446 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.414 -0.551 -8.129 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.332 -1.916 -7.969 1.00 0.00 C ATOM 461 OH TYR A 29 -4.390 -2.715 -8.335 1.00 0.00 O ATOM 0 H TYR A 29 2.280 -0.485 -6.649 1.00 0.00 H new ATOM 0 HA TYR A 29 0.618 0.393 -8.902 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.427 0.183 -5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.369 1.570 -6.650 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.240 -2.143 -6.676 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.412 1.316 -7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.136 -3.561 -7.320 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.308 -0.105 -8.539 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.116 -2.157 -8.685 1.00 0.00 H new ATOM 471 N ARG A 30 1.125 2.827 -8.935 1.00 0.00 N ATOM 472 CA ARG A 30 1.679 4.150 -9.192 1.00 0.00 C ATOM 473 C ARG A 30 0.591 5.208 -9.335 1.00 0.00 C ATOM 474 O ARG A 30 -0.512 4.935 -9.826 1.00 0.00 O ATOM 475 CB ARG A 30 2.521 4.136 -10.471 1.00 0.00 C ATOM 476 CG ARG A 30 1.733 3.728 -11.704 1.00 0.00 C ATOM 477 CD ARG A 30 2.521 3.948 -12.985 1.00 0.00 C ATOM 478 NE ARG A 30 1.779 3.486 -14.157 1.00 0.00 N ATOM 479 CZ ARG A 30 2.146 3.717 -15.418 1.00 0.00 C ATOM 480 NH1 ARG A 30 3.239 4.422 -15.680 1.00 0.00 N ATOM 481 NH2 ARG A 30 1.403 3.260 -16.416 1.00 0.00 N ATOM 0 H ARG A 30 0.314 2.590 -9.506 1.00 0.00 H new ATOM 0 HA ARG A 30 2.300 4.404 -8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.944 5.128 -10.630 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.358 3.450 -10.340 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.456 2.677 -11.625 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.806 4.299 -11.747 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.752 5.008 -13.094 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.472 3.419 -12.924 1.00 0.00 H new ATOM 0 HE ARG A 30 0.924 2.952 -14.000 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.804 4.791 -14.915 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.515 4.595 -16.647 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.552 2.733 -16.219 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.682 3.436 -17.381 1.00 0.00 H new ATOM 495 N ARG A 31 0.923 6.411 -8.885 1.00 0.00 N ATOM 496 CA ARG A 31 0.138 7.608 -9.155 1.00 0.00 C ATOM 497 C ARG A 31 0.892 8.818 -8.628 1.00 0.00 C ATOM 498 O ARG A 31 0.853 9.109 -7.435 1.00 0.00 O ATOM 499 CB ARG A 31 -1.257 7.539 -8.521 1.00 0.00 C ATOM 500 CG ARG A 31 -2.176 8.656 -8.989 1.00 0.00 C ATOM 501 CD ARG A 31 -3.561 8.550 -8.377 1.00 0.00 C ATOM 502 NE ARG A 31 -3.554 8.786 -6.933 1.00 0.00 N ATOM 503 CZ ARG A 31 -4.183 9.808 -6.347 1.00 0.00 C ATOM 504 NH1 ARG A 31 -4.759 10.751 -7.087 1.00 0.00 N ATOM 505 NH2 ARG A 31 -4.205 9.909 -5.023 1.00 0.00 N ATOM 0 H ARG A 31 1.752 6.585 -8.317 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.005 7.689 -10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.712 6.577 -8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.160 7.586 -7.436 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.737 9.619 -8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.257 8.627 -10.076 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.223 9.271 -8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.969 7.559 -8.578 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.040 8.134 -6.341 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.721 10.695 -8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.239 11.530 -6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.740 9.205 -4.450 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.686 10.691 -4.579 1.00 0.00 H new ATOM 519 N GLY A 32 1.607 9.498 -9.511 1.00 0.00 N ATOM 520 CA GLY A 32 2.456 10.595 -9.089 1.00 0.00 C ATOM 521 C GLY A 32 3.822 10.092 -8.674 1.00 0.00 C ATOM 522 O GLY A 32 4.418 9.277 -9.376 1.00 0.00 O ATOM 0 H GLY A 32 1.615 9.311 -10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.560 11.313 -9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.990 11.122 -8.256 1.00 0.00 H new ATOM 526 N GLU A 33 4.311 10.546 -7.529 1.00 0.00 N ATOM 527 CA GLU A 33 5.574 10.047 -6.998 1.00 0.00 C ATOM 528 C GLU A 33 5.301 8.925 -6.004 1.00 0.00 C ATOM 529 O GLU A 33 6.213 8.392 -5.371 1.00 0.00 O ATOM 530 CB GLU A 33 6.383 11.164 -6.324 1.00 0.00 C ATOM 531 CG GLU A 33 5.744 11.738 -5.065 1.00 0.00 C ATOM 532 CD GLU A 33 4.580 12.663 -5.353 1.00 0.00 C ATOM 533 OE1 GLU A 33 4.823 13.858 -5.598 1.00 0.00 O ATOM 534 OE2 GLU A 33 3.420 12.200 -5.323 1.00 0.00 O ATOM 0 H GLU A 33 3.857 11.254 -6.952 1.00 0.00 H new ATOM 0 HA GLU A 33 6.167 9.666 -7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.370 10.778 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.531 11.971 -7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.400 10.918 -4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.500 12.282 -4.498 1.00 0.00 H new ATOM 541 N ASN A 34 4.032 8.566 -5.887 1.00 0.00 N ATOM 542 CA ASN A 34 3.611 7.549 -4.941 1.00 0.00 C ATOM 543 C ASN A 34 3.633 6.181 -5.609 1.00 0.00 C ATOM 544 O ASN A 34 2.711 5.828 -6.351 1.00 0.00 O ATOM 545 CB ASN A 34 2.202 7.853 -4.411 1.00 0.00 C ATOM 546 CG ASN A 34 1.999 9.322 -4.081 1.00 0.00 C ATOM 547 OD1 ASN A 34 2.319 9.784 -2.988 1.00 0.00 O ATOM 548 ND2 ASN A 34 1.443 10.063 -5.025 1.00 0.00 N ATOM 0 H ASN A 34 3.274 8.967 -6.439 1.00 0.00 H new ATOM 0 HA ASN A 34 4.303 7.549 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.466 7.548 -5.155 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.019 7.256 -3.517 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.266 11.054 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.191 9.644 -5.920 1.00 0.00 H new ATOM 555 N TYR A 35 4.705 5.435 -5.376 1.00 0.00 N ATOM 556 CA TYR A 35 4.833 4.087 -5.910 1.00 0.00 C ATOM 557 C TYR A 35 4.796 3.088 -4.763 1.00 0.00 C ATOM 558 O TYR A 35 5.771 2.939 -4.024 1.00 0.00 O ATOM 559 CB TYR A 35 6.143 3.930 -6.695 1.00 0.00 C ATOM 560 CG TYR A 35 6.112 2.830 -7.736 1.00 0.00 C ATOM 561 CD1 TYR A 35 5.347 2.962 -8.888 1.00 0.00 C ATOM 562 CD2 TYR A 35 6.852 1.668 -7.571 1.00 0.00 C ATOM 563 CE1 TYR A 35 5.318 1.963 -9.845 1.00 0.00 C ATOM 564 CE2 TYR A 35 6.830 0.667 -8.524 1.00 0.00 C ATOM 565 CZ TYR A 35 6.063 0.818 -9.658 1.00 0.00 C ATOM 566 OH TYR A 35 6.041 -0.183 -10.604 1.00 0.00 O ATOM 0 H TYR A 35 5.501 5.743 -4.818 1.00 0.00 H new ATOM 0 HA TYR A 35 4.004 3.900 -6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.375 4.875 -7.187 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.953 3.729 -5.993 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.765 3.859 -9.039 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.455 1.544 -6.684 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.715 2.080 -10.733 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.413 -0.231 -8.380 1.00 0.00 H new ATOM 0 HH TYR A 35 5.984 0.213 -11.498 1.00 0.00 H new ATOM 576 N VAL A 36 3.663 2.428 -4.605 1.00 0.00 N ATOM 577 CA VAL A 36 3.476 1.497 -3.504 1.00 0.00 C ATOM 578 C VAL A 36 3.479 0.059 -4.001 1.00 0.00 C ATOM 579 O VAL A 36 3.054 -0.227 -5.119 1.00 0.00 O ATOM 580 CB VAL A 36 2.170 1.776 -2.726 1.00 0.00 C ATOM 581 CG1 VAL A 36 2.239 3.132 -2.039 1.00 0.00 C ATOM 582 CG2 VAL A 36 0.958 1.699 -3.644 1.00 0.00 C ATOM 0 H VAL A 36 2.858 2.519 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 36 4.314 1.643 -2.823 1.00 0.00 H new ATOM 0 HB VAL A 36 2.060 1.006 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.311 3.312 -1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.076 3.144 -1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.379 3.912 -2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.053 1.899 -3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.055 2.439 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.896 0.703 -4.082 1.00 0.00 H new ATOM 592 N TYR A 37 3.969 -0.837 -3.168 1.00 0.00 N ATOM 593 CA TYR A 37 4.049 -2.244 -3.518 1.00 0.00 C ATOM 594 C TYR A 37 3.031 -3.040 -2.715 1.00 0.00 C ATOM 595 O TYR A 37 3.126 -3.128 -1.489 1.00 0.00 O ATOM 596 CB TYR A 37 5.459 -2.775 -3.250 1.00 0.00 C ATOM 597 CG TYR A 37 6.476 -2.370 -4.293 1.00 0.00 C ATOM 598 CD1 TYR A 37 6.872 -1.045 -4.441 1.00 0.00 C ATOM 599 CD2 TYR A 37 7.037 -3.319 -5.131 1.00 0.00 C ATOM 600 CE1 TYR A 37 7.801 -0.682 -5.399 1.00 0.00 C ATOM 601 CE2 TYR A 37 7.965 -2.969 -6.087 1.00 0.00 C ATOM 602 CZ TYR A 37 8.344 -1.653 -6.218 1.00 0.00 C ATOM 603 OH TYR A 37 9.272 -1.314 -7.174 1.00 0.00 O ATOM 0 H TYR A 37 4.321 -0.615 -2.237 1.00 0.00 H new ATOM 0 HA TYR A 37 3.827 -2.355 -4.579 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.791 -2.418 -2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.422 -3.863 -3.196 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.448 -0.288 -3.798 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.741 -4.353 -5.033 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.099 0.351 -5.506 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.393 -3.724 -6.730 1.00 0.00 H new ATOM 0 HH TYR A 37 9.550 -2.118 -7.660 1.00 0.00 H new ATOM 613 N VAL A 38 2.049 -3.603 -3.401 1.00 0.00 N ATOM 614 CA VAL A 38 1.030 -4.408 -2.747 1.00 0.00 C ATOM 615 C VAL A 38 1.485 -5.860 -2.663 1.00 0.00 C ATOM 616 O VAL A 38 1.482 -6.578 -3.664 1.00 0.00 O ATOM 617 CB VAL A 38 -0.321 -4.332 -3.492 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.388 -5.152 -2.777 1.00 0.00 C ATOM 619 CG2 VAL A 38 -0.766 -2.885 -3.637 1.00 0.00 C ATOM 0 H VAL A 38 1.936 -3.517 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 38 0.887 -4.008 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.184 -4.755 -4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.329 -5.080 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.074 -6.195 -2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.525 -4.768 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.719 -2.849 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.880 -2.439 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.018 -2.329 -4.202 1.00 0.00 H new ATOM 629 N ASN A 39 1.893 -6.272 -1.472 1.00 0.00 N ATOM 630 CA ASN A 39 2.401 -7.619 -1.247 1.00 0.00 C ATOM 631 C ASN A 39 1.319 -8.651 -1.537 1.00 0.00 C ATOM 632 O ASN A 39 0.325 -8.746 -0.817 1.00 0.00 O ATOM 633 CB ASN A 39 2.890 -7.767 0.195 1.00 0.00 C ATOM 634 CG ASN A 39 3.536 -9.115 0.482 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.443 -9.629 1.596 1.00 0.00 O ATOM 636 ND2 ASN A 39 4.216 -9.689 -0.505 1.00 0.00 N ATOM 0 H ASN A 39 1.882 -5.686 -0.637 1.00 0.00 H new ATOM 0 HA ASN A 39 3.238 -7.789 -1.924 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.608 -6.976 0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 39 2.048 -7.625 0.872 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.681 -10.584 -0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.273 -9.235 -1.417 1.00 0.00 H new ATOM 643 N ARG A 40 1.522 -9.423 -2.591 1.00 0.00 N ATOM 644 CA ARG A 40 0.546 -10.413 -3.013 1.00 0.00 C ATOM 645 C ARG A 40 0.606 -11.648 -2.147 1.00 0.00 C ATOM 646 O ARG A 40 -0.324 -12.451 -2.125 1.00 0.00 O ATOM 647 CB ARG A 40 0.752 -10.787 -4.481 1.00 0.00 C ATOM 648 CG ARG A 40 0.052 -9.826 -5.408 1.00 0.00 C ATOM 649 CD ARG A 40 -1.383 -9.667 -4.957 1.00 0.00 C ATOM 650 NE ARG A 40 -2.301 -10.564 -5.663 1.00 0.00 N ATOM 651 CZ ARG A 40 -2.849 -11.662 -5.131 1.00 0.00 C ATOM 652 NH1 ARG A 40 -2.501 -12.078 -3.917 1.00 0.00 N ATOM 653 NH2 ARG A 40 -3.736 -12.355 -5.830 1.00 0.00 N ATOM 0 H ARG A 40 2.359 -9.383 -3.173 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.442 -9.968 -2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.818 -10.798 -4.707 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.379 -11.796 -4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.558 -8.861 -5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.086 -10.198 -6.432 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.446 -9.859 -3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.697 -8.635 -5.115 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.539 -10.335 -6.628 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.808 -11.558 -3.379 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.927 -12.917 -3.524 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.997 -12.050 -6.768 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.158 -13.193 -5.430 1.00 0.00 H new ATOM 667 N GLU A 41 1.689 -11.775 -1.419 1.00 0.00 N ATOM 668 CA GLU A 41 1.913 -12.931 -0.584 1.00 0.00 C ATOM 669 C GLU A 41 1.422 -12.663 0.833 1.00 0.00 C ATOM 670 O GLU A 41 1.618 -13.471 1.740 1.00 0.00 O ATOM 671 CB GLU A 41 3.394 -13.269 -0.625 1.00 0.00 C ATOM 672 CG GLU A 41 3.915 -13.303 -2.052 1.00 0.00 C ATOM 673 CD GLU A 41 5.421 -13.442 -2.127 1.00 0.00 C ATOM 674 OE1 GLU A 41 6.123 -12.462 -1.811 1.00 0.00 O ATOM 675 OE2 GLU A 41 5.916 -14.528 -2.506 1.00 0.00 O ATOM 0 H GLU A 41 2.438 -11.083 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 41 1.349 -13.787 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.953 -12.532 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.561 -14.237 -0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.452 -14.135 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.614 -12.390 -2.565 1.00 0.00 H new ATOM 682 N ALA A 42 0.755 -11.524 1.010 1.00 0.00 N ATOM 683 CA ALA A 42 0.118 -11.209 2.275 1.00 0.00 C ATOM 684 C ALA A 42 -1.302 -11.751 2.258 1.00 0.00 C ATOM 685 O ALA A 42 -2.274 -11.002 2.189 1.00 0.00 O ATOM 686 CB ALA A 42 0.122 -9.711 2.531 1.00 0.00 C ATOM 0 H ALA A 42 0.645 -10.809 0.291 1.00 0.00 H new ATOM 0 HA ALA A 42 0.677 -11.676 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.362 -9.504 3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.150 -9.349 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.419 -9.204 1.732 1.00 0.00 H new ATOM 692 N ARG A 43 -1.400 -13.070 2.305 1.00 0.00 N ATOM 693 CA ARG A 43 -2.664 -13.769 2.124 1.00 0.00 C ATOM 694 C ARG A 43 -3.573 -13.612 3.337 1.00 0.00 C ATOM 695 O ARG A 43 -4.767 -13.902 3.267 1.00 0.00 O ATOM 696 CB ARG A 43 -2.388 -15.243 1.825 1.00 0.00 C ATOM 697 CG ARG A 43 -1.545 -15.430 0.572 1.00 0.00 C ATOM 698 CD ARG A 43 -1.047 -16.855 0.418 1.00 0.00 C ATOM 699 NE ARG A 43 -0.206 -16.996 -0.769 1.00 0.00 N ATOM 700 CZ ARG A 43 1.085 -17.337 -0.745 1.00 0.00 C ATOM 701 NH1 ARG A 43 1.695 -17.608 0.404 1.00 0.00 N ATOM 702 NH2 ARG A 43 1.767 -17.408 -1.879 1.00 0.00 N ATOM 0 H ARG A 43 -0.605 -13.688 2.470 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.191 -13.325 1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.876 -15.694 2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.334 -15.771 1.706 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.134 -15.157 -0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.693 -14.752 0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.481 -17.143 1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.897 -17.534 0.348 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.635 -16.822 -1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.177 -17.557 1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.681 -17.867 0.409 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.306 -17.203 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.753 -17.668 -1.866 1.00 0.00 H new ATOM 716 N MET A 44 -3.001 -13.156 4.446 1.00 0.00 N ATOM 717 CA MET A 44 -3.784 -12.838 5.635 1.00 0.00 C ATOM 718 C MET A 44 -3.966 -11.329 5.760 1.00 0.00 C ATOM 719 O MET A 44 -4.539 -10.840 6.732 1.00 0.00 O ATOM 720 CB MET A 44 -3.114 -13.398 6.893 1.00 0.00 C ATOM 721 CG MET A 44 -3.121 -14.918 6.960 1.00 0.00 C ATOM 722 SD MET A 44 -4.788 -15.603 6.956 1.00 0.00 S ATOM 723 CE MET A 44 -4.440 -17.356 7.085 1.00 0.00 C ATOM 0 H MET A 44 -1.998 -12.998 4.547 1.00 0.00 H new ATOM 0 HA MET A 44 -4.764 -13.303 5.534 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.083 -13.045 6.934 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.621 -13.001 7.772 1.00 0.00 H new ATOM 0 HG2 MET A 44 -2.566 -15.318 6.112 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.601 -15.241 7.862 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.377 -17.913 7.094 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.839 -17.671 6.232 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.892 -17.551 8.007 1.00 0.00 H new ATOM 733 N GLY A 45 -3.468 -10.598 4.765 1.00 0.00 N ATOM 734 CA GLY A 45 -3.607 -9.149 4.743 1.00 0.00 C ATOM 735 C GLY A 45 -2.799 -8.446 5.819 1.00 0.00 C ATOM 736 O GLY A 45 -3.100 -7.312 6.189 1.00 0.00 O ATOM 0 H GLY A 45 -2.966 -10.987 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.297 -8.777 3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.659 -8.891 4.863 1.00 0.00 H new ATOM 740 N ARG A 46 -1.763 -9.113 6.314 1.00 0.00 N ATOM 741 CA ARG A 46 -0.940 -8.564 7.377 1.00 0.00 C ATOM 742 C ARG A 46 0.065 -7.553 6.838 1.00 0.00 C ATOM 743 O ARG A 46 0.135 -6.424 7.309 1.00 0.00 O ATOM 744 CB ARG A 46 -0.201 -9.691 8.099 1.00 0.00 C ATOM 745 CG ARG A 46 -1.121 -10.674 8.802 1.00 0.00 C ATOM 746 CD ARG A 46 -0.335 -11.690 9.617 1.00 0.00 C ATOM 747 NE ARG A 46 0.586 -12.476 8.792 1.00 0.00 N ATOM 748 CZ ARG A 46 1.517 -13.293 9.290 1.00 0.00 C ATOM 749 NH1 ARG A 46 1.657 -13.432 10.600 1.00 0.00 N ATOM 750 NH2 ARG A 46 2.315 -13.976 8.476 1.00 0.00 N ATOM 0 H ARG A 46 -1.475 -10.037 5.993 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.597 -8.048 8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.411 -10.232 7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.479 -9.256 8.831 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.803 -10.131 9.456 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.732 -11.193 8.064 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.229 -11.172 10.393 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.029 -12.362 10.122 1.00 0.00 H new ATOM 0 HE ARG A 46 0.512 -12.394 7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.051 -12.913 11.236 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.371 -14.058 10.973 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.218 -13.877 7.465 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.025 -14.599 8.862 1.00 0.00 H new ATOM 764 N THR A 47 0.834 -7.966 5.846 1.00 0.00 N ATOM 765 CA THR A 47 1.919 -7.151 5.325 1.00 0.00 C ATOM 766 C THR A 47 1.621 -6.680 3.905 1.00 0.00 C ATOM 767 O THR A 47 2.523 -6.563 3.077 1.00 0.00 O ATOM 768 CB THR A 47 3.223 -7.968 5.326 1.00 0.00 C ATOM 769 OG1 THR A 47 3.015 -9.209 4.632 1.00 0.00 O ATOM 770 CG2 THR A 47 3.685 -8.256 6.749 1.00 0.00 C ATOM 0 H THR A 47 0.726 -8.868 5.382 1.00 0.00 H new ATOM 0 HA THR A 47 2.025 -6.275 5.965 1.00 0.00 H new ATOM 0 HB THR A 47 3.994 -7.384 4.822 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.215 -9.089 3.680 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.608 -8.835 6.722 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.861 -7.316 7.272 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.916 -8.824 7.273 1.00 0.00 H new ATOM 778 N ALA A 48 0.357 -6.374 3.649 1.00 0.00 N ATOM 779 CA ALA A 48 -0.116 -6.114 2.293 1.00 0.00 C ATOM 780 C ALA A 48 0.461 -4.834 1.688 1.00 0.00 C ATOM 781 O ALA A 48 0.935 -4.845 0.555 1.00 0.00 O ATOM 782 CB ALA A 48 -1.633 -6.063 2.274 1.00 0.00 C ATOM 0 H ALA A 48 -0.365 -6.299 4.366 1.00 0.00 H new ATOM 0 HA ALA A 48 0.238 -6.938 1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.978 -5.869 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.033 -7.017 2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.979 -5.267 2.933 1.00 0.00 H new ATOM 788 N LEU A 49 0.426 -3.737 2.426 1.00 0.00 N ATOM 789 CA LEU A 49 0.790 -2.449 1.849 1.00 0.00 C ATOM 790 C LEU A 49 2.209 -2.033 2.225 1.00 0.00 C ATOM 791 O LEU A 49 2.533 -1.868 3.403 1.00 0.00 O ATOM 792 CB LEU A 49 -0.202 -1.368 2.281 1.00 0.00 C ATOM 793 CG LEU A 49 -0.002 -0.005 1.611 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.153 -0.120 0.100 1.00 0.00 C ATOM 795 CD2 LEU A 49 -0.983 1.012 2.168 1.00 0.00 C ATOM 0 H LEU A 49 0.155 -3.708 3.409 1.00 0.00 H new ATOM 0 HA LEU A 49 0.753 -2.561 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.213 -1.717 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.130 -1.240 3.361 1.00 0.00 H new ATOM 0 HG LEU A 49 1.010 0.337 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.007 0.859 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.591 -0.815 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.151 -0.486 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.826 1.974 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.002 0.673 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.826 1.119 3.241 1.00 0.00 H new ATOM 807 N ILE A 50 3.054 -1.869 1.216 1.00 0.00 N ATOM 808 CA ILE A 50 4.394 -1.336 1.411 1.00 0.00 C ATOM 809 C ILE A 50 4.474 0.059 0.799 1.00 0.00 C ATOM 810 O ILE A 50 4.270 0.224 -0.404 1.00 0.00 O ATOM 811 CB ILE A 50 5.472 -2.228 0.762 1.00 0.00 C ATOM 812 CG1 ILE A 50 5.182 -3.718 1.004 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.844 -1.855 1.303 1.00 0.00 C ATOM 814 CD1 ILE A 50 5.194 -4.133 2.460 1.00 0.00 C ATOM 0 H ILE A 50 2.832 -2.100 0.248 1.00 0.00 H new ATOM 0 HA ILE A 50 4.584 -1.302 2.484 1.00 0.00 H new ATOM 0 HB ILE A 50 5.455 -2.060 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.208 -3.959 0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.921 -4.311 0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.602 -2.488 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.054 -0.811 1.073 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.860 -1.999 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.980 -5.199 2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.175 -3.928 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.436 -3.571 3.005 1.00 0.00 H new ATOM 826 N ILE A 51 4.781 1.060 1.617 1.00 0.00 N ATOM 827 CA ILE A 51 4.673 2.452 1.187 1.00 0.00 C ATOM 828 C ILE A 51 6.034 3.139 1.032 1.00 0.00 C ATOM 829 O ILE A 51 6.113 4.362 1.106 1.00 0.00 O ATOM 830 CB ILE A 51 3.774 3.257 2.162 1.00 0.00 C ATOM 831 CG1 ILE A 51 4.207 3.074 3.626 1.00 0.00 C ATOM 832 CG2 ILE A 51 2.320 2.842 1.993 1.00 0.00 C ATOM 833 CD1 ILE A 51 5.347 3.972 4.064 1.00 0.00 C ATOM 0 H ILE A 51 5.105 0.936 2.576 1.00 0.00 H new ATOM 0 HA ILE A 51 4.213 2.435 0.199 1.00 0.00 H new ATOM 0 HB ILE A 51 3.884 4.313 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.348 3.259 4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.501 2.035 3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.696 3.412 2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.002 3.038 0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.218 1.778 2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.585 3.774 5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.224 3.773 3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.053 5.015 3.950 1.00 0.00 H new ATOM 845 N HIS A 52 7.088 2.350 0.780 1.00 0.00 N ATOM 846 CA HIS A 52 8.450 2.887 0.591 1.00 0.00 C ATOM 847 C HIS A 52 9.051 3.353 1.929 1.00 0.00 C ATOM 848 O HIS A 52 8.335 3.828 2.806 1.00 0.00 O ATOM 849 CB HIS A 52 8.437 4.043 -0.447 1.00 0.00 C ATOM 850 CG HIS A 52 9.777 4.671 -0.722 1.00 0.00 C ATOM 851 ND1 HIS A 52 10.395 5.539 0.149 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.619 4.545 -1.776 1.00 0.00 C ATOM 853 CE1 HIS A 52 11.560 5.911 -0.345 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.720 5.323 -1.515 1.00 0.00 N ATOM 0 H HIS A 52 7.027 1.335 0.702 1.00 0.00 H new ATOM 0 HA HIS A 52 9.083 2.087 0.206 1.00 0.00 H new ATOM 0 HB2 HIS A 52 8.032 3.663 -1.385 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.755 4.818 -0.096 1.00 0.00 H new ATOM 0 HD1 HIS A 52 10.010 5.848 1.042 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.455 3.944 -2.658 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.262 6.582 0.127 1.00 0.00 H new ATOM 863 N PRO A 53 10.379 3.183 2.119 1.00 0.00 N ATOM 864 CA PRO A 53 11.093 3.725 3.291 1.00 0.00 C ATOM 865 C PRO A 53 10.979 5.252 3.398 1.00 0.00 C ATOM 866 O PRO A 53 10.163 5.873 2.713 1.00 0.00 O ATOM 867 CB PRO A 53 12.552 3.325 3.045 1.00 0.00 C ATOM 868 CG PRO A 53 12.492 2.183 2.090 1.00 0.00 C ATOM 869 CD PRO A 53 11.278 2.416 1.238 1.00 0.00 C ATOM 0 HA PRO A 53 10.679 3.339 4.222 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.123 4.156 2.629 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.042 3.035 3.974 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.394 2.138 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.419 1.234 2.621 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.524 2.972 0.333 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.824 1.477 0.921 1.00 0.00 H new ATOM 877 N ARG A 54 11.810 5.849 4.253 1.00 0.00 N ATOM 878 CA ARG A 54 11.800 7.298 4.510 1.00 0.00 C ATOM 879 C ARG A 54 10.564 7.713 5.308 1.00 0.00 C ATOM 880 O ARG A 54 10.669 8.370 6.341 1.00 0.00 O ATOM 881 CB ARG A 54 11.869 8.120 3.215 1.00 0.00 C ATOM 882 CG ARG A 54 11.782 9.618 3.461 1.00 0.00 C ATOM 883 CD ARG A 54 11.868 10.417 2.173 1.00 0.00 C ATOM 884 NE ARG A 54 12.010 11.850 2.431 1.00 0.00 N ATOM 885 CZ ARG A 54 13.070 12.572 2.064 1.00 0.00 C ATOM 886 NH1 ARG A 54 14.076 12.000 1.414 1.00 0.00 N ATOM 887 NH2 ARG A 54 13.124 13.866 2.362 1.00 0.00 N ATOM 0 H ARG A 54 12.513 5.343 4.791 1.00 0.00 H new ATOM 0 HA ARG A 54 12.695 7.508 5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.801 7.895 2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.056 7.817 2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.844 9.847 3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 54 12.587 9.922 4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.717 10.068 1.585 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.973 10.242 1.576 1.00 0.00 H new ATOM 0 HE ARG A 54 11.253 12.326 2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.040 11.005 1.193 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.885 12.556 1.135 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.356 14.305 2.870 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.933 14.420 2.083 1.00 0.00 H new ATOM 901 N LEU A 55 9.400 7.305 4.827 1.00 0.00 N ATOM 902 CA LEU A 55 8.128 7.674 5.427 1.00 0.00 C ATOM 903 C LEU A 55 7.819 6.835 6.659 1.00 0.00 C ATOM 904 O LEU A 55 6.659 6.672 7.016 1.00 0.00 O ATOM 905 CB LEU A 55 7.011 7.500 4.399 1.00 0.00 C ATOM 906 CG LEU A 55 7.052 8.482 3.234 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.952 8.175 2.230 1.00 0.00 C ATOM 908 CD2 LEU A 55 6.921 9.897 3.761 1.00 0.00 C ATOM 0 H LEU A 55 9.311 6.706 4.006 1.00 0.00 H new ATOM 0 HA LEU A 55 8.195 8.716 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.057 6.486 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.051 7.600 4.906 1.00 0.00 H new ATOM 0 HG LEU A 55 8.007 8.382 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.001 8.888 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.085 7.165 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.981 8.251 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.950 10.600 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.974 10.002 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.744 10.109 4.443 1.00 0.00 H new ATOM 920 N LYS A 56 8.857 6.338 7.315 1.00 0.00 N ATOM 921 CA LYS A 56 8.690 5.452 8.456 1.00 0.00 C ATOM 922 C LYS A 56 7.914 6.143 9.573 1.00 0.00 C ATOM 923 O LYS A 56 6.750 5.830 9.804 1.00 0.00 O ATOM 924 CB LYS A 56 10.053 4.964 8.953 1.00 0.00 C ATOM 925 CG LYS A 56 9.963 3.938 10.069 1.00 0.00 C ATOM 926 CD LYS A 56 11.281 3.201 10.245 1.00 0.00 C ATOM 927 CE LYS A 56 11.225 2.217 11.400 1.00 0.00 C ATOM 928 NZ LYS A 56 11.238 2.907 12.717 1.00 0.00 N ATOM 0 H LYS A 56 9.828 6.535 7.075 1.00 0.00 H new ATOM 0 HA LYS A 56 8.111 4.585 8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.601 4.531 8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.630 5.820 9.304 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.693 4.434 11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.170 3.223 9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.526 2.669 9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.080 3.921 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.323 1.610 11.317 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.074 1.536 11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.284 2.200 13.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.068 3.532 12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.371 3.472 12.821 1.00 0.00 H new ATOM 942 N ASP A 57 8.543 7.107 10.238 1.00 0.00 N ATOM 943 CA ASP A 57 7.902 7.791 11.359 1.00 0.00 C ATOM 944 C ASP A 57 6.751 8.666 10.884 1.00 0.00 C ATOM 945 O ASP A 57 5.798 8.904 11.626 1.00 0.00 O ATOM 946 CB ASP A 57 8.910 8.630 12.145 1.00 0.00 C ATOM 947 CG ASP A 57 9.918 7.776 12.882 1.00 0.00 C ATOM 948 OD1 ASP A 57 9.534 7.114 13.870 1.00 0.00 O ATOM 949 OD2 ASP A 57 11.095 7.750 12.469 1.00 0.00 O ATOM 0 H ASP A 57 9.486 7.431 10.024 1.00 0.00 H new ATOM 0 HA ASP A 57 7.502 7.023 12.021 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.434 9.298 11.462 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.378 9.258 12.860 1.00 0.00 H new ATOM 954 N ARG A 58 6.846 9.144 9.650 1.00 0.00 N ATOM 955 CA ARG A 58 5.764 9.905 9.035 1.00 0.00 C ATOM 956 C ARG A 58 4.493 9.062 9.001 1.00 0.00 C ATOM 957 O ARG A 58 3.459 9.447 9.548 1.00 0.00 O ATOM 958 CB ARG A 58 6.158 10.328 7.613 1.00 0.00 C ATOM 959 CG ARG A 58 5.033 10.973 6.808 1.00 0.00 C ATOM 960 CD ARG A 58 4.625 12.328 7.366 1.00 0.00 C ATOM 961 NE ARG A 58 3.690 13.022 6.480 1.00 0.00 N ATOM 962 CZ ARG A 58 2.907 14.033 6.855 1.00 0.00 C ATOM 963 NH1 ARG A 58 2.930 14.470 8.109 1.00 0.00 N ATOM 964 NH2 ARG A 58 2.104 14.609 5.970 1.00 0.00 N ATOM 0 H ARG A 58 7.663 9.018 9.053 1.00 0.00 H new ATOM 0 HA ARG A 58 5.579 10.801 9.627 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.991 11.028 7.674 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.517 9.452 7.073 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.352 11.091 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.168 10.310 6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.166 12.194 8.346 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.513 12.943 7.511 1.00 0.00 H new ATOM 0 HE ARG A 58 3.634 12.711 5.510 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.549 14.031 8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.328 15.244 8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.087 14.278 5.005 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.504 15.383 6.254 1.00 0.00 H new ATOM 978 N SER A 59 4.588 7.906 8.358 1.00 0.00 N ATOM 979 CA SER A 59 3.473 6.983 8.256 1.00 0.00 C ATOM 980 C SER A 59 3.015 6.490 9.630 1.00 0.00 C ATOM 981 O SER A 59 1.825 6.263 9.835 1.00 0.00 O ATOM 982 CB SER A 59 3.851 5.806 7.352 1.00 0.00 C ATOM 983 OG SER A 59 3.023 4.677 7.584 1.00 0.00 O ATOM 0 H SER A 59 5.438 7.585 7.895 1.00 0.00 H new ATOM 0 HA SER A 59 2.633 7.517 7.812 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.769 6.108 6.308 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.892 5.535 7.525 1.00 0.00 H new ATOM 0 HG SER A 59 3.571 3.865 7.588 1.00 0.00 H new ATOM 989 N SER A 60 3.951 6.317 10.559 1.00 0.00 N ATOM 990 CA SER A 60 3.633 5.819 11.900 1.00 0.00 C ATOM 991 C SER A 60 2.656 6.736 12.644 1.00 0.00 C ATOM 992 O SER A 60 1.934 6.287 13.537 1.00 0.00 O ATOM 993 CB SER A 60 4.913 5.647 12.720 1.00 0.00 C ATOM 994 OG SER A 60 5.778 4.696 12.122 1.00 0.00 O ATOM 0 H SER A 60 4.941 6.514 10.410 1.00 0.00 H new ATOM 0 HA SER A 60 3.146 4.852 11.775 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.425 6.605 12.806 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.661 5.328 13.731 1.00 0.00 H new ATOM 0 HG SER A 60 6.094 5.038 11.259 1.00 0.00 H new ATOM 1000 N SER A 61 2.625 8.014 12.275 1.00 0.00 N ATOM 1001 CA SER A 61 1.702 8.961 12.893 1.00 0.00 C ATOM 1002 C SER A 61 0.285 8.779 12.348 1.00 0.00 C ATOM 1003 O SER A 61 -0.663 9.398 12.827 1.00 0.00 O ATOM 1004 CB SER A 61 2.176 10.396 12.651 1.00 0.00 C ATOM 1005 OG SER A 61 3.466 10.608 13.205 1.00 0.00 O ATOM 0 H SER A 61 3.225 8.416 11.555 1.00 0.00 H new ATOM 0 HA SER A 61 1.684 8.767 13.965 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.199 10.599 11.580 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.467 11.096 13.093 1.00 0.00 H new ATOM 0 HG SER A 61 4.129 10.095 12.697 1.00 0.00 H new ATOM 1011 N LEU A 62 0.152 7.922 11.347 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.137 7.652 10.725 1.00 0.00 C ATOM 1013 C LEU A 62 -1.492 6.177 10.870 1.00 0.00 C ATOM 1014 O LEU A 62 -2.509 5.822 11.463 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.094 8.042 9.247 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.793 9.516 8.976 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.581 9.751 7.491 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -1.920 10.392 9.502 1.00 0.00 C ATOM 0 H LEU A 62 0.928 7.397 10.945 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.902 8.245 11.225 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.338 7.435 8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.053 7.793 8.793 1.00 0.00 H new ATOM 0 HG LEU A 62 0.125 9.785 9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.368 10.806 7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.258 9.149 7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.481 9.468 6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.691 11.439 9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.852 10.123 9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.025 10.243 10.577 1.00 0.00 H new ATOM 1030 N ALA A 63 -0.631 5.325 10.339 1.00 0.00 N ATOM 1031 CA ALA A 63 -0.839 3.888 10.382 1.00 0.00 C ATOM 1032 C ALA A 63 0.439 3.181 10.809 1.00 0.00 C ATOM 1033 O ALA A 63 1.448 3.222 10.101 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.304 3.381 9.026 1.00 0.00 C ATOM 0 H ALA A 63 0.228 5.609 9.868 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.615 3.669 11.116 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.456 2.303 9.073 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.241 3.868 8.757 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.549 3.608 8.274 1.00 0.00 H new ATOM 1040 N ASP A 64 0.388 2.548 11.972 1.00 0.00 N ATOM 1041 CA ASP A 64 1.546 1.863 12.537 1.00 0.00 C ATOM 1042 C ASP A 64 1.935 0.655 11.684 1.00 0.00 C ATOM 1043 O ASP A 64 1.074 -0.127 11.274 1.00 0.00 O ATOM 1044 CB ASP A 64 1.234 1.432 13.976 1.00 0.00 C ATOM 1045 CG ASP A 64 2.377 0.698 14.646 1.00 0.00 C ATOM 1046 OD1 ASP A 64 3.406 1.338 14.947 1.00 0.00 O ATOM 1047 OD2 ASP A 64 2.238 -0.518 14.904 1.00 0.00 O ATOM 0 H ASP A 64 -0.451 2.494 12.549 1.00 0.00 H new ATOM 0 HA ASP A 64 2.393 2.549 12.545 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.984 2.314 14.565 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.353 0.791 13.972 1.00 0.00 H new ATOM 1052 N PRO A 65 3.238 0.513 11.377 1.00 0.00 N ATOM 1053 CA PRO A 65 3.754 -0.598 10.568 1.00 0.00 C ATOM 1054 C PRO A 65 3.362 -1.969 11.114 1.00 0.00 C ATOM 1055 O PRO A 65 3.263 -2.170 12.322 1.00 0.00 O ATOM 1056 CB PRO A 65 5.273 -0.416 10.638 1.00 0.00 C ATOM 1057 CG PRO A 65 5.468 1.031 10.920 1.00 0.00 C ATOM 1058 CD PRO A 65 4.310 1.439 11.787 1.00 0.00 C ATOM 0 HA PRO A 65 3.348 -0.574 9.557 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.710 -1.034 11.422 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.750 -0.705 9.701 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.417 1.206 11.427 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.488 1.610 9.997 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.545 1.338 12.847 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.029 2.479 11.620 1.00 0.00 H new ATOM 1066 N ALA A 66 3.171 -2.919 10.207 1.00 0.00 N ATOM 1067 CA ALA A 66 2.775 -4.275 10.571 1.00 0.00 C ATOM 1068 C ALA A 66 3.997 -5.116 10.917 1.00 0.00 C ATOM 1069 O ALA A 66 3.913 -6.337 11.043 1.00 0.00 O ATOM 1070 CB ALA A 66 2.015 -4.919 9.424 1.00 0.00 C ATOM 0 H ALA A 66 3.285 -2.773 9.204 1.00 0.00 H new ATOM 0 HA ALA A 66 2.129 -4.223 11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.723 -5.931 9.704 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.123 -4.332 9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.653 -4.956 8.541 1.00 0.00 H new ATOM 1076 N SER A 67 5.124 -4.443 11.072 1.00 0.00 N ATOM 1077 CA SER A 67 6.402 -5.094 11.274 1.00 0.00 C ATOM 1078 C SER A 67 7.449 -4.035 11.555 1.00 0.00 C ATOM 1079 O SER A 67 7.360 -3.293 12.532 1.00 0.00 O ATOM 1080 CB SER A 67 6.753 -5.933 10.033 1.00 0.00 C ATOM 1081 OG SER A 67 7.868 -6.776 10.263 1.00 0.00 O ATOM 0 H SER A 67 5.176 -3.424 11.061 1.00 0.00 H new ATOM 0 HA SER A 67 6.361 -5.771 12.128 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.892 -6.539 9.749 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.966 -5.270 9.195 1.00 0.00 H new ATOM 0 HG SER A 67 8.059 -7.294 9.453 1.00 0.00 H new ATOM 1087 N ASP A 68 8.403 -3.954 10.677 1.00 0.00 N ATOM 1088 CA ASP A 68 9.437 -2.927 10.732 1.00 0.00 C ATOM 1089 C ASP A 68 10.037 -2.736 9.357 1.00 0.00 C ATOM 1090 O ASP A 68 9.851 -1.703 8.720 1.00 0.00 O ATOM 1091 CB ASP A 68 10.542 -3.325 11.717 1.00 0.00 C ATOM 1092 CG ASP A 68 11.566 -2.224 11.939 1.00 0.00 C ATOM 1093 OD1 ASP A 68 11.171 -1.065 12.189 1.00 0.00 O ATOM 1094 OD2 ASP A 68 12.778 -2.522 11.901 1.00 0.00 O ATOM 0 H ASP A 68 8.499 -4.597 9.891 1.00 0.00 H new ATOM 0 HA ASP A 68 8.983 -1.996 11.070 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.090 -3.591 12.673 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.049 -4.215 11.345 1.00 0.00 H new ATOM 1099 N ILE A 69 10.724 -3.756 8.890 1.00 0.00 N ATOM 1100 CA ILE A 69 11.342 -3.725 7.580 1.00 0.00 C ATOM 1101 C ILE A 69 11.125 -5.042 6.849 1.00 0.00 C ATOM 1102 O ILE A 69 11.031 -6.107 7.461 1.00 0.00 O ATOM 1103 CB ILE A 69 12.852 -3.426 7.669 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.450 -4.118 8.893 1.00 0.00 C ATOM 1105 CG2 ILE A 69 13.095 -1.923 7.723 1.00 0.00 C ATOM 1106 CD1 ILE A 69 14.963 -4.099 8.933 1.00 0.00 C ATOM 0 H ILE A 69 10.870 -4.625 9.403 1.00 0.00 H new ATOM 0 HA ILE A 69 10.865 -2.920 7.021 1.00 0.00 H new ATOM 0 HB ILE A 69 13.343 -3.815 6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.067 -3.637 9.793 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.109 -5.153 8.915 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.166 -1.730 7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.694 -1.457 6.823 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.599 -1.506 8.599 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.310 -4.610 9.832 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.357 -4.607 8.052 1.00 0.00 H new ATOM 0 HD13 ILE A 69 15.314 -3.067 8.944 1.00 0.00 H new ATOM 1118 N LYS A 70 11.029 -4.948 5.540 1.00 0.00 N ATOM 1119 CA LYS A 70 10.810 -6.107 4.689 1.00 0.00 C ATOM 1120 C LYS A 70 11.855 -6.155 3.583 1.00 0.00 C ATOM 1121 O LYS A 70 11.824 -5.347 2.659 1.00 0.00 O ATOM 1122 CB LYS A 70 9.401 -6.066 4.080 1.00 0.00 C ATOM 1123 CG LYS A 70 9.160 -7.144 3.036 1.00 0.00 C ATOM 1124 CD LYS A 70 7.724 -7.147 2.543 1.00 0.00 C ATOM 1125 CE LYS A 70 7.506 -8.222 1.488 1.00 0.00 C ATOM 1126 NZ LYS A 70 7.843 -9.580 1.997 1.00 0.00 N ATOM 0 H LYS A 70 11.100 -4.067 5.031 1.00 0.00 H new ATOM 0 HA LYS A 70 10.901 -7.005 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.666 -6.173 4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.238 -5.089 3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.833 -6.989 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.400 -8.119 3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.049 -7.315 3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.478 -6.170 2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.466 -8.205 1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.118 -8.001 0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.464 -10.298 1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.876 -9.681 2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.424 -9.711 2.940 1.00 0.00 H new ATOM 1140 N THR A 71 12.778 -7.093 3.691 1.00 0.00 N ATOM 1141 CA THR A 71 13.840 -7.244 2.711 1.00 0.00 C ATOM 1142 C THR A 71 13.411 -8.161 1.569 1.00 0.00 C ATOM 1143 O THR A 71 12.884 -9.253 1.801 1.00 0.00 O ATOM 1144 CB THR A 71 15.109 -7.794 3.378 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.756 -8.802 4.337 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.883 -6.679 4.064 1.00 0.00 C ATOM 0 H THR A 71 12.814 -7.768 4.455 1.00 0.00 H new ATOM 0 HA THR A 71 14.054 -6.259 2.296 1.00 0.00 H new ATOM 0 HB THR A 71 15.743 -8.232 2.607 1.00 0.00 H new ATOM 0 HG1 THR A 71 15.569 -9.151 4.759 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.778 -7.091 4.530 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.170 -5.929 3.327 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.256 -6.217 4.827 1.00 0.00 H new ATOM 1154 N CYS A 72 13.637 -7.710 0.338 1.00 0.00 N ATOM 1155 CA CYS A 72 13.210 -8.446 -0.844 1.00 0.00 C ATOM 1156 C CYS A 72 13.907 -7.924 -2.102 1.00 0.00 C ATOM 1157 O CYS A 72 14.827 -7.105 -2.018 1.00 0.00 O ATOM 1158 CB CYS A 72 11.692 -8.347 -0.982 1.00 0.00 C ATOM 1159 SG CYS A 72 11.029 -6.728 -0.538 1.00 0.00 S ATOM 0 H CYS A 72 14.116 -6.833 0.135 1.00 0.00 H new ATOM 0 HA CYS A 72 13.491 -9.493 -0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 72 11.414 -8.574 -2.011 1.00 0.00 H new ATOM 0 HB3 CYS A 72 11.228 -9.105 -0.351 1.00 0.00 H new ATOM 0 HG CYS A 72 10.328 -6.260 -1.528 1.00 0.00 H new ATOM 1165 N ASP A 73 13.467 -8.396 -3.263 1.00 0.00 N ATOM 1166 CA ASP A 73 14.149 -8.106 -4.523 1.00 0.00 C ATOM 1167 C ASP A 73 13.376 -7.114 -5.398 1.00 0.00 C ATOM 1168 O ASP A 73 13.923 -6.092 -5.812 1.00 0.00 O ATOM 1169 CB ASP A 73 14.416 -9.410 -5.298 1.00 0.00 C ATOM 1170 CG ASP A 73 13.176 -10.275 -5.512 1.00 0.00 C ATOM 1171 OD1 ASP A 73 12.084 -9.919 -5.017 1.00 0.00 O ATOM 1172 OD2 ASP A 73 13.294 -11.330 -6.171 1.00 0.00 O ATOM 0 H ASP A 73 12.639 -8.983 -3.360 1.00 0.00 H new ATOM 0 HA ASP A 73 15.098 -7.633 -4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 73 14.844 -9.161 -6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 73 15.164 -9.993 -4.760 1.00 0.00 H new ATOM 1177 N HIS A 74 12.107 -7.410 -5.659 1.00 0.00 N ATOM 1178 CA HIS A 74 11.294 -6.633 -6.606 1.00 0.00 C ATOM 1179 C HIS A 74 11.067 -5.196 -6.141 1.00 0.00 C ATOM 1180 O HIS A 74 10.699 -4.333 -6.936 1.00 0.00 O ATOM 1181 CB HIS A 74 9.938 -7.311 -6.841 1.00 0.00 C ATOM 1182 CG HIS A 74 10.027 -8.621 -7.563 1.00 0.00 C ATOM 1183 ND1 HIS A 74 9.037 -9.577 -7.509 1.00 0.00 N ATOM 1184 CD2 HIS A 74 10.987 -9.123 -8.376 1.00 0.00 C ATOM 1185 CE1 HIS A 74 9.388 -10.611 -8.255 1.00 0.00 C ATOM 1186 NE2 HIS A 74 10.565 -10.360 -8.795 1.00 0.00 N ATOM 0 H HIS A 74 11.610 -8.189 -5.227 1.00 0.00 H new ATOM 0 HA HIS A 74 11.856 -6.598 -7.539 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.452 -7.471 -5.879 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.300 -6.636 -7.412 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.914 -8.639 -8.645 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.808 -11.511 -8.398 1.00 0.00 H new ATOM 0 HE2 HIS A 74 11.077 -10.982 -9.420 1.00 0.00 H new ATOM 1195 N TYR A 75 11.295 -4.939 -4.864 1.00 0.00 N ATOM 1196 CA TYR A 75 11.096 -3.608 -4.296 1.00 0.00 C ATOM 1197 C TYR A 75 12.298 -2.715 -4.607 1.00 0.00 C ATOM 1198 O TYR A 75 12.750 -1.942 -3.762 1.00 0.00 O ATOM 1199 CB TYR A 75 10.908 -3.707 -2.775 1.00 0.00 C ATOM 1200 CG TYR A 75 9.638 -4.409 -2.322 1.00 0.00 C ATOM 1201 CD1 TYR A 75 9.011 -5.370 -3.109 1.00 0.00 C ATOM 1202 CD2 TYR A 75 9.077 -4.116 -1.086 1.00 0.00 C ATOM 1203 CE1 TYR A 75 7.865 -6.009 -2.681 1.00 0.00 C ATOM 1204 CE2 TYR A 75 7.930 -4.752 -0.652 1.00 0.00 C ATOM 1205 CZ TYR A 75 7.329 -5.698 -1.452 1.00 0.00 C ATOM 1206 OH TYR A 75 6.183 -6.330 -1.024 1.00 0.00 O ATOM 0 H TYR A 75 11.620 -5.636 -4.194 1.00 0.00 H new ATOM 0 HA TYR A 75 10.202 -3.170 -4.741 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.764 -4.233 -2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.915 -2.700 -2.358 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.429 -5.621 -4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 75 9.546 -3.378 -0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.391 -6.750 -3.308 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.506 -4.508 0.311 1.00 0.00 H new ATOM 0 HH TYR A 75 6.187 -6.388 -0.046 1.00 0.00 H new ATOM 1216 N GLN A 76 12.795 -2.801 -5.834 1.00 0.00 N ATOM 1217 CA GLN A 76 14.046 -2.167 -6.199 1.00 0.00 C ATOM 1218 C GLN A 76 13.917 -0.657 -6.373 1.00 0.00 C ATOM 1219 O GLN A 76 14.921 0.031 -6.526 1.00 0.00 O ATOM 1220 CB GLN A 76 14.610 -2.810 -7.458 1.00 0.00 C ATOM 1221 CG GLN A 76 13.754 -2.614 -8.698 1.00 0.00 C ATOM 1222 CD GLN A 76 14.220 -3.474 -9.855 1.00 0.00 C ATOM 1223 OE1 GLN A 76 14.731 -4.576 -9.660 1.00 0.00 O ATOM 1224 NE2 GLN A 76 14.064 -2.969 -11.066 1.00 0.00 N ATOM 0 H GLN A 76 12.344 -3.308 -6.595 1.00 0.00 H new ATOM 0 HA GLN A 76 14.739 -2.323 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.602 -2.401 -7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 76 14.734 -3.878 -7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.717 -2.854 -8.463 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.780 -1.565 -8.993 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.635 -2.051 -11.184 1.00 0.00 H new ATOM 0 HE22 GLN A 76 14.372 -3.497 -11.882 1.00 0.00 H new ATOM 1233 N ASN A 77 12.696 -0.139 -6.327 1.00 0.00 N ATOM 1234 CA ASN A 77 12.492 1.310 -6.347 1.00 0.00 C ATOM 1235 C ASN A 77 12.796 1.898 -4.978 1.00 0.00 C ATOM 1236 O ASN A 77 12.699 3.108 -4.767 1.00 0.00 O ATOM 1237 CB ASN A 77 11.066 1.677 -6.767 1.00 0.00 C ATOM 1238 CG ASN A 77 10.881 1.667 -8.271 1.00 0.00 C ATOM 1239 OD1 ASN A 77 11.134 2.663 -8.943 1.00 0.00 O ATOM 1240 ND2 ASN A 77 10.418 0.551 -8.806 1.00 0.00 N ATOM 0 H ASN A 77 11.839 -0.690 -6.276 1.00 0.00 H new ATOM 0 HA ASN A 77 13.175 1.730 -7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.366 0.975 -6.314 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.821 2.666 -6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.259 0.496 -9.812 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.220 -0.255 -8.213 1.00 0.00 H new ATOM 1247 N PHE A 78 13.149 1.025 -4.046 1.00 0.00 N ATOM 1248 CA PHE A 78 13.531 1.440 -2.709 1.00 0.00 C ATOM 1249 C PHE A 78 15.054 1.494 -2.607 1.00 0.00 C ATOM 1250 O PHE A 78 15.744 0.699 -3.251 1.00 0.00 O ATOM 1251 CB PHE A 78 12.957 0.477 -1.660 1.00 0.00 C ATOM 1252 CG PHE A 78 11.453 0.362 -1.674 1.00 0.00 C ATOM 1253 CD1 PHE A 78 10.670 1.264 -2.377 1.00 0.00 C ATOM 1254 CD2 PHE A 78 10.824 -0.655 -0.976 1.00 0.00 C ATOM 1255 CE1 PHE A 78 9.295 1.153 -2.385 1.00 0.00 C ATOM 1256 CE2 PHE A 78 9.448 -0.769 -0.981 1.00 0.00 C ATOM 1257 CZ PHE A 78 8.683 0.136 -1.686 1.00 0.00 C ATOM 0 H PHE A 78 13.178 0.016 -4.196 1.00 0.00 H new ATOM 0 HA PHE A 78 13.124 2.432 -2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 78 13.386 -0.512 -1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.275 0.806 -0.671 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.143 2.065 -2.926 1.00 0.00 H new ATOM 0 HD2 PHE A 78 11.417 -1.367 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.699 1.863 -2.939 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.971 -1.567 -0.432 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.607 0.048 -1.690 1.00 0.00 H new ATOM 1267 N PRO A 79 15.578 2.428 -1.786 1.00 0.00 N ATOM 1268 CA PRO A 79 17.025 2.706 -1.638 1.00 0.00 C ATOM 1269 C PRO A 79 17.916 1.470 -1.443 1.00 0.00 C ATOM 1270 O PRO A 79 19.124 1.543 -1.685 1.00 0.00 O ATOM 1271 CB PRO A 79 17.099 3.600 -0.385 1.00 0.00 C ATOM 1272 CG PRO A 79 15.718 3.631 0.188 1.00 0.00 C ATOM 1273 CD PRO A 79 14.786 3.332 -0.943 1.00 0.00 C ATOM 0 HA PRO A 79 17.406 3.156 -2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.811 3.200 0.337 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.436 4.604 -0.643 1.00 0.00 H new ATOM 0 HG2 PRO A 79 15.611 2.895 0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 79 15.500 4.606 0.624 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.867 2.860 -0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.497 4.236 -1.479 1.00 0.00 H new ATOM 1281 N LEU A 80 17.323 0.356 -0.998 1.00 0.00 N ATOM 1282 CA LEU A 80 18.049 -0.903 -0.767 1.00 0.00 C ATOM 1283 C LEU A 80 18.858 -0.823 0.531 1.00 0.00 C ATOM 1284 O LEU A 80 19.543 0.163 0.802 1.00 0.00 O ATOM 1285 CB LEU A 80 18.934 -1.274 -1.988 1.00 0.00 C ATOM 1286 CG LEU A 80 19.533 -2.690 -2.007 1.00 0.00 C ATOM 1287 CD1 LEU A 80 20.045 -3.036 -3.395 1.00 0.00 C ATOM 1288 CD2 LEU A 80 20.670 -2.813 -1.024 1.00 0.00 C ATOM 0 H LEU A 80 16.327 0.300 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 80 17.322 -1.707 -0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.337 -1.146 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.754 -0.558 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 80 18.739 -3.382 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.465 -4.042 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.222 -2.992 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.816 -2.323 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.074 -3.825 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.453 -2.100 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.306 -2.603 -0.018 1.00 0.00 H new ATOM 1300 N TYR A 81 18.745 -1.874 1.332 1.00 0.00 N ATOM 1301 CA TYR A 81 19.380 -1.936 2.640 1.00 0.00 C ATOM 1302 C TYR A 81 20.823 -2.407 2.513 1.00 0.00 C ATOM 1303 O TYR A 81 21.087 -3.551 2.134 1.00 0.00 O ATOM 1304 CB TYR A 81 18.589 -2.886 3.544 1.00 0.00 C ATOM 1305 CG TYR A 81 19.081 -2.945 4.972 1.00 0.00 C ATOM 1306 CD1 TYR A 81 18.922 -1.861 5.827 1.00 0.00 C ATOM 1307 CD2 TYR A 81 19.695 -4.087 5.467 1.00 0.00 C ATOM 1308 CE1 TYR A 81 19.364 -1.916 7.135 1.00 0.00 C ATOM 1309 CE2 TYR A 81 20.136 -4.150 6.773 1.00 0.00 C ATOM 1310 CZ TYR A 81 19.968 -3.063 7.601 1.00 0.00 C ATOM 1311 OH TYR A 81 20.406 -3.127 8.903 1.00 0.00 O ATOM 0 H TYR A 81 18.210 -2.708 1.092 1.00 0.00 H new ATOM 0 HA TYR A 81 19.386 -0.939 3.081 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.543 -2.579 3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.627 -3.889 3.118 1.00 0.00 H new ATOM 0 HD1 TYR A 81 18.446 -0.962 5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 81 19.830 -4.941 4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 81 19.237 -1.065 7.788 1.00 0.00 H new ATOM 0 HE2 TYR A 81 20.610 -5.047 7.143 1.00 0.00 H new ATOM 0 HH TYR A 81 20.807 -4.005 9.070 1.00 0.00 H new ATOM 1401 N GLU A 88 19.643 -6.186 0.257 1.00 0.00 N ATOM 1402 CA GLU A 88 18.300 -6.430 -0.248 1.00 0.00 C ATOM 1403 C GLU A 88 17.491 -5.145 -0.242 1.00 0.00 C ATOM 1404 O GLU A 88 17.777 -4.230 0.526 1.00 0.00 O ATOM 1405 CB GLU A 88 17.603 -7.492 0.606 1.00 0.00 C ATOM 1406 CG GLU A 88 18.415 -8.765 0.773 1.00 0.00 C ATOM 1407 CD GLU A 88 17.703 -9.817 1.594 1.00 0.00 C ATOM 1408 OE1 GLU A 88 17.708 -9.720 2.839 1.00 0.00 O ATOM 1409 OE2 GLU A 88 17.152 -10.765 0.997 1.00 0.00 O ATOM 0 HA GLU A 88 18.374 -6.791 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 88 17.391 -7.074 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.644 -7.740 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.645 -9.174 -0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 88 19.366 -8.523 1.248 1.00 0.00 H new ATOM 1416 N HIS A 89 16.482 -5.070 -1.094 1.00 0.00 N ATOM 1417 CA HIS A 89 15.637 -3.890 -1.151 1.00 0.00 C ATOM 1418 C HIS A 89 14.563 -3.981 -0.079 1.00 0.00 C ATOM 1419 O HIS A 89 13.691 -4.848 -0.134 1.00 0.00 O ATOM 1420 CB HIS A 89 15.007 -3.725 -2.536 1.00 0.00 C ATOM 1421 CG HIS A 89 15.991 -3.414 -3.626 1.00 0.00 C ATOM 1422 ND1 HIS A 89 16.306 -2.128 -4.024 1.00 0.00 N ATOM 1423 CD2 HIS A 89 16.715 -4.235 -4.424 1.00 0.00 C ATOM 1424 CE1 HIS A 89 17.173 -2.178 -5.018 1.00 0.00 C ATOM 1425 NE2 HIS A 89 17.438 -3.446 -5.283 1.00 0.00 N ATOM 0 H HIS A 89 16.229 -5.808 -1.752 1.00 0.00 H new ATOM 0 HA HIS A 89 16.254 -3.011 -0.966 1.00 0.00 H new ATOM 0 HB2 HIS A 89 14.475 -4.641 -2.792 1.00 0.00 H new ATOM 0 HB3 HIS A 89 14.265 -2.927 -2.493 1.00 0.00 H new ATOM 0 HD1 HIS A 89 15.928 -1.274 -3.614 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.722 -5.314 -4.390 1.00 0.00 H new ATOM 0 HE1 HIS A 89 17.595 -1.326 -5.529 1.00 0.00 H new ATOM 1434 N TYR A 90 14.642 -3.100 0.908 1.00 0.00 N ATOM 1435 CA TYR A 90 13.751 -3.175 2.049 1.00 0.00 C ATOM 1436 C TYR A 90 12.606 -2.176 1.938 1.00 0.00 C ATOM 1437 O TYR A 90 12.785 -1.048 1.470 1.00 0.00 O ATOM 1438 CB TYR A 90 14.525 -2.951 3.358 1.00 0.00 C ATOM 1439 CG TYR A 90 14.905 -1.508 3.634 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.966 -0.902 2.976 1.00 0.00 C ATOM 1441 CD2 TYR A 90 14.205 -0.760 4.571 1.00 0.00 C ATOM 1442 CE1 TYR A 90 16.319 0.409 3.243 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.548 0.549 4.842 1.00 0.00 C ATOM 1444 CZ TYR A 90 15.607 1.130 4.178 1.00 0.00 C ATOM 1445 OH TYR A 90 15.949 2.435 4.451 1.00 0.00 O ATOM 0 H TYR A 90 15.311 -2.331 0.939 1.00 0.00 H new ATOM 0 HA TYR A 90 13.321 -4.176 2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.921 -3.318 4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 90 15.433 -3.553 3.334 1.00 0.00 H new ATOM 0 HD1 TYR A 90 16.526 -1.463 2.243 1.00 0.00 H new ATOM 0 HD2 TYR A 90 13.377 -1.211 5.098 1.00 0.00 H new ATOM 0 HE1 TYR A 90 17.148 0.865 2.722 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.989 1.116 5.572 1.00 0.00 H new ATOM 0 HH TYR A 90 15.345 2.796 5.133 1.00 0.00 H new ATOM 1455 N GLY A 91 11.432 -2.617 2.351 1.00 0.00 N ATOM 1456 CA GLY A 91 10.285 -1.745 2.451 1.00 0.00 C ATOM 1457 C GLY A 91 9.694 -1.807 3.841 1.00 0.00 C ATOM 1458 O GLY A 91 10.205 -2.530 4.691 1.00 0.00 O ATOM 0 H GLY A 91 11.251 -3.583 2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.578 -0.721 2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.534 -2.036 1.717 1.00 0.00 H new ATOM 1462 N ILE A 92 8.631 -1.061 4.086 1.00 0.00 N ATOM 1463 CA ILE A 92 8.013 -1.050 5.403 1.00 0.00 C ATOM 1464 C ILE A 92 6.611 -1.653 5.341 1.00 0.00 C ATOM 1465 O ILE A 92 5.700 -1.067 4.747 1.00 0.00 O ATOM 1466 CB ILE A 92 7.937 0.380 5.979 1.00 0.00 C ATOM 1467 CG1 ILE A 92 9.306 1.061 5.881 1.00 0.00 C ATOM 1468 CG2 ILE A 92 7.464 0.342 7.429 1.00 0.00 C ATOM 1469 CD1 ILE A 92 9.308 2.496 6.353 1.00 0.00 C ATOM 0 H ILE A 92 8.180 -0.459 3.397 1.00 0.00 H new ATOM 0 HA ILE A 92 8.637 -1.653 6.062 1.00 0.00 H new ATOM 0 HB ILE A 92 7.218 0.956 5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.027 0.494 6.470 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.644 1.028 4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 92 7.415 1.357 7.822 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.475 -0.114 7.477 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.163 -0.245 8.025 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.311 2.910 6.253 1.00 0.00 H new ATOM 0 HD12 ILE A 92 8.613 3.079 5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.001 2.536 7.398 1.00 0.00 H new ATOM 1481 N PRO A 93 6.431 -2.846 5.935 1.00 0.00 N ATOM 1482 CA PRO A 93 5.139 -3.549 5.959 1.00 0.00 C ATOM 1483 C PRO A 93 4.056 -2.768 6.694 1.00 0.00 C ATOM 1484 O PRO A 93 4.301 -2.186 7.750 1.00 0.00 O ATOM 1485 CB PRO A 93 5.442 -4.848 6.714 1.00 0.00 C ATOM 1486 CG PRO A 93 6.919 -5.010 6.624 1.00 0.00 C ATOM 1487 CD PRO A 93 7.481 -3.617 6.619 1.00 0.00 C ATOM 0 HA PRO A 93 4.754 -3.699 4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.114 -4.787 7.752 1.00 0.00 H new ATOM 0 HB3 PRO A 93 4.924 -5.695 6.265 1.00 0.00 H new ATOM 0 HG2 PRO A 93 7.302 -5.584 7.468 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.199 -5.549 5.719 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.660 -3.249 7.629 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.432 -3.566 6.088 1.00 0.00 H new ATOM 1495 N HIS A 94 2.861 -2.749 6.127 1.00 0.00 N ATOM 1496 CA HIS A 94 1.721 -2.091 6.751 1.00 0.00 C ATOM 1497 C HIS A 94 0.481 -2.955 6.625 1.00 0.00 C ATOM 1498 O HIS A 94 0.467 -3.927 5.870 1.00 0.00 O ATOM 1499 CB HIS A 94 1.461 -0.721 6.117 1.00 0.00 C ATOM 1500 CG HIS A 94 2.451 0.327 6.512 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.713 0.402 5.976 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.357 1.346 7.396 1.00 0.00 C ATOM 1503 CE1 HIS A 94 4.356 1.420 6.510 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.558 2.013 7.378 1.00 0.00 N ATOM 0 H HIS A 94 2.653 -3.185 5.229 1.00 0.00 H new ATOM 0 HA HIS A 94 1.954 -1.946 7.806 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.471 -0.826 5.032 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.462 -0.386 6.396 1.00 0.00 H new ATOM 0 HD1 HIS A 94 4.093 -0.232 5.273 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.498 1.590 8.003 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.367 1.719 6.277 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.561 -2.559 7.328 1.00 0.00 N ATOM 1514 CA GLY A 95 -1.793 -3.307 7.340 1.00 0.00 C ATOM 1515 C GLY A 95 -2.834 -2.575 8.146 1.00 0.00 C ATOM 1516 O GLY A 95 -2.496 -1.722 8.967 1.00 0.00 O ATOM 0 H GLY A 95 -0.574 -1.716 7.902 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -2.148 -3.454 6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.623 -4.297 7.764 1.00 0.00 H new ATOM 1520 N PHE A 96 -4.097 -2.885 7.908 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.188 -2.104 8.471 1.00 0.00 C ATOM 1522 C PHE A 96 -6.281 -3.024 8.987 1.00 0.00 C ATOM 1523 O PHE A 96 -6.038 -4.194 9.264 1.00 0.00 O ATOM 1524 CB PHE A 96 -5.754 -1.162 7.399 1.00 0.00 C ATOM 1525 CG PHE A 96 -4.694 -0.360 6.697 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.198 0.802 7.263 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -4.177 -0.784 5.482 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.208 1.529 6.629 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -3.186 -0.063 4.848 1.00 0.00 C ATOM 1530 CZ PHE A 96 -2.701 1.095 5.422 1.00 0.00 C ATOM 0 H PHE A 96 -4.393 -3.671 7.329 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.810 -1.513 9.305 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -6.304 -1.748 6.663 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.468 -0.481 7.863 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -4.589 1.144 8.210 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.554 -1.688 5.027 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.832 2.436 7.078 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.790 -0.404 3.903 1.00 0.00 H new ATOM 0 HZ PHE A 96 -1.926 1.660 4.927 1.00 0.00 H new ATOM 1540 N SER A 97 -7.488 -2.498 9.098 1.00 0.00 N ATOM 1541 CA SER A 97 -8.621 -3.281 9.569 1.00 0.00 C ATOM 1542 C SER A 97 -9.925 -2.727 8.990 1.00 0.00 C ATOM 1543 O SER A 97 -11.013 -3.122 9.402 1.00 0.00 O ATOM 1544 CB SER A 97 -8.690 -3.232 11.102 1.00 0.00 C ATOM 1545 OG SER A 97 -7.469 -3.651 11.692 1.00 0.00 O ATOM 0 H SER A 97 -7.711 -1.530 8.868 1.00 0.00 H new ATOM 0 HA SER A 97 -8.490 -4.312 9.241 1.00 0.00 H new ATOM 0 HB2 SER A 97 -8.921 -2.217 11.424 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.502 -3.870 11.451 1.00 0.00 H new ATOM 0 HG SER A 97 -7.545 -3.607 12.668 1.00 0.00 H new ATOM 1551 N SER A 98 -9.801 -1.828 8.018 1.00 0.00 N ATOM 1552 CA SER A 98 -10.959 -1.224 7.381 1.00 0.00 C ATOM 1553 C SER A 98 -10.522 -0.440 6.148 1.00 0.00 C ATOM 1554 O SER A 98 -9.533 0.293 6.184 1.00 0.00 O ATOM 1555 CB SER A 98 -11.702 -0.304 8.357 1.00 0.00 C ATOM 1556 OG SER A 98 -12.934 0.138 7.809 1.00 0.00 O ATOM 0 H SER A 98 -8.905 -1.503 7.656 1.00 0.00 H new ATOM 0 HA SER A 98 -11.641 -2.019 7.078 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.886 -0.834 9.292 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.078 0.557 8.596 1.00 0.00 H new ATOM 0 HG SER A 98 -13.459 0.587 8.504 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.252 -0.625 5.057 1.00 0.00 N ATOM 1563 CA ARG A 99 -10.956 0.052 3.799 1.00 0.00 C ATOM 1564 C ARG A 99 -11.046 1.563 3.953 1.00 0.00 C ATOM 1565 O ARG A 99 -10.172 2.298 3.497 1.00 0.00 O ATOM 1566 CB ARG A 99 -11.918 -0.413 2.713 1.00 0.00 C ATOM 1567 CG ARG A 99 -11.874 -1.909 2.477 1.00 0.00 C ATOM 1568 CD ARG A 99 -12.672 -2.292 1.251 1.00 0.00 C ATOM 1569 NE ARG A 99 -14.105 -2.076 1.419 1.00 0.00 N ATOM 1570 CZ ARG A 99 -15.024 -2.548 0.581 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -14.670 -3.357 -0.411 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -16.302 -2.238 0.756 1.00 0.00 N ATOM 0 H ARG A 99 -12.062 -1.244 5.017 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.936 -0.204 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.933 -0.125 2.988 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.681 0.102 1.782 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.840 -2.231 2.356 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.270 -2.429 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.319 -1.712 0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.492 -3.342 1.019 1.00 0.00 H new ATOM 0 HE ARG A 99 -14.420 -1.533 2.223 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.691 -3.618 -0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.377 -3.717 -1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.580 -1.638 1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.007 -2.600 0.114 1.00 0.00 H new ATOM 1586 N ILE A 100 -12.113 2.013 4.597 1.00 0.00 N ATOM 1587 CA ILE A 100 -12.337 3.442 4.833 1.00 0.00 C ATOM 1588 C ILE A 100 -11.156 4.059 5.599 1.00 0.00 C ATOM 1589 O ILE A 100 -10.777 5.205 5.354 1.00 0.00 O ATOM 1590 CB ILE A 100 -13.674 3.670 5.594 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -14.204 5.105 5.403 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -13.512 3.355 7.073 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -13.546 6.155 6.277 1.00 0.00 C ATOM 0 H ILE A 100 -12.845 1.409 4.970 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.409 3.941 3.867 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.410 2.988 5.169 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -14.072 5.389 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -15.276 5.109 5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.459 3.521 7.586 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -13.212 2.314 7.193 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -12.748 4.004 7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.987 7.130 6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.700 5.904 7.326 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.477 6.187 6.065 1.00 0.00 H new ATOM 1605 N ALA A 101 -10.554 3.284 6.499 1.00 0.00 N ATOM 1606 CA ALA A 101 -9.397 3.750 7.249 1.00 0.00 C ATOM 1607 C ALA A 101 -8.229 3.989 6.306 1.00 0.00 C ATOM 1608 O ALA A 101 -7.571 5.027 6.365 1.00 0.00 O ATOM 1609 CB ALA A 101 -9.021 2.745 8.328 1.00 0.00 C ATOM 0 H ALA A 101 -10.849 2.334 6.724 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.649 4.692 7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.154 3.110 8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.859 2.617 9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.781 1.788 7.866 1.00 0.00 H new ATOM 1615 N LEU A 102 -8.003 3.029 5.415 1.00 0.00 N ATOM 1616 CA LEU A 102 -6.970 3.147 4.397 1.00 0.00 C ATOM 1617 C LEU A 102 -7.239 4.355 3.507 1.00 0.00 C ATOM 1618 O LEU A 102 -6.317 5.081 3.144 1.00 0.00 O ATOM 1619 CB LEU A 102 -6.916 1.869 3.552 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.015 1.926 2.311 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.577 2.241 2.694 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.087 0.616 1.541 1.00 0.00 C ATOM 0 H LEU A 102 -8.527 2.155 5.379 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.007 3.285 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.577 1.050 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.929 1.625 3.231 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.376 2.728 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.960 2.275 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.538 3.207 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.201 1.467 3.363 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.442 0.674 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.756 -0.201 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.114 0.436 1.225 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.508 4.574 3.182 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.904 5.692 2.338 1.00 0.00 C ATOM 1636 C GLU A 103 -8.462 7.014 2.965 1.00 0.00 C ATOM 1637 O GLU A 103 -7.934 7.897 2.282 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.424 5.698 2.134 1.00 0.00 C ATOM 1639 CG GLU A 103 -10.850 6.378 0.841 1.00 0.00 C ATOM 1640 CD GLU A 103 -12.353 6.424 0.664 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -12.931 5.434 0.165 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -12.966 7.453 1.008 1.00 0.00 O ATOM 0 H GLU A 103 -9.283 3.988 3.493 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.418 5.578 1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.789 4.671 2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.896 6.204 2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.457 7.394 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.406 5.851 -0.004 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.662 7.134 4.274 1.00 0.00 N ATOM 1650 CA ARG A 104 -8.283 8.343 4.996 1.00 0.00 C ATOM 1651 C ARG A 104 -6.763 8.467 5.081 1.00 0.00 C ATOM 1652 O ARG A 104 -6.217 9.564 4.993 1.00 0.00 O ATOM 1653 CB ARG A 104 -8.882 8.360 6.406 1.00 0.00 C ATOM 1654 CG ARG A 104 -10.389 8.161 6.443 1.00 0.00 C ATOM 1655 CD ARG A 104 -10.937 8.284 7.858 1.00 0.00 C ATOM 1656 NE ARG A 104 -11.002 9.676 8.303 1.00 0.00 N ATOM 1657 CZ ARG A 104 -10.797 10.080 9.559 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -10.471 9.203 10.505 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -10.927 11.365 9.864 1.00 0.00 N ATOM 0 H ARG A 104 -9.084 6.410 4.855 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.680 9.193 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.408 7.578 7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.640 9.311 6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.870 8.899 5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.637 7.179 6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.933 7.843 7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.307 7.714 8.541 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.219 10.388 7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.376 8.214 10.273 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.316 9.519 11.462 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.182 12.038 9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.772 11.680 10.822 1.00 0.00 H new ATOM 1673 N TYR A 105 -6.083 7.337 5.241 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.635 7.326 5.354 1.00 0.00 C ATOM 1675 C TYR A 105 -3.978 7.690 4.026 1.00 0.00 C ATOM 1676 O TYR A 105 -2.959 8.380 4.004 1.00 0.00 O ATOM 1677 CB TYR A 105 -4.153 5.960 5.843 1.00 0.00 C ATOM 1678 CG TYR A 105 -4.595 5.638 7.253 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -4.793 6.648 8.186 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -4.822 4.328 7.648 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -5.203 6.360 9.471 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -5.234 4.032 8.932 1.00 0.00 C ATOM 1683 CZ TYR A 105 -5.421 5.051 9.838 1.00 0.00 C ATOM 1684 OH TYR A 105 -5.831 4.759 11.116 1.00 0.00 O ATOM 0 H TYR A 105 -6.516 6.415 5.295 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.343 8.079 6.085 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.525 5.189 5.168 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.065 5.928 5.795 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.623 7.676 7.900 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.674 3.526 6.940 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.352 7.156 10.185 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.409 3.007 9.224 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.940 3.790 11.211 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.566 7.237 2.922 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.099 7.634 1.595 1.00 0.00 C ATOM 1696 C LEU A 106 -4.206 9.147 1.448 1.00 0.00 C ATOM 1697 O LEU A 106 -3.322 9.800 0.890 1.00 0.00 O ATOM 1698 CB LEU A 106 -4.926 6.955 0.498 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.823 5.429 0.437 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.751 4.879 -0.637 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.386 5.001 0.172 1.00 0.00 C ATOM 0 H LEU A 106 -5.362 6.599 2.918 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.060 7.323 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.973 7.225 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.619 7.360 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.129 5.022 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.667 3.793 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.779 5.157 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.472 5.293 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.332 3.913 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.052 5.416 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.744 5.367 0.973 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.292 9.690 1.983 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.557 11.122 1.936 1.00 0.00 C ATOM 1715 C ASN A 107 -4.559 11.907 2.774 1.00 0.00 C ATOM 1716 O ASN A 107 -4.253 13.055 2.472 1.00 0.00 O ATOM 1717 CB ASN A 107 -6.978 11.409 2.424 1.00 0.00 C ATOM 1718 CG ASN A 107 -7.992 11.427 1.296 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -8.238 12.463 0.686 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -8.590 10.279 1.010 1.00 0.00 N ATOM 0 H ASN A 107 -6.013 9.151 2.461 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.452 11.443 0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.267 10.653 3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.994 12.371 2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.281 10.237 0.261 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.359 9.438 1.539 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.054 11.291 3.828 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.131 11.977 4.710 1.00 0.00 C ATOM 1729 C GLY A 108 -1.679 11.801 4.307 1.00 0.00 C ATOM 1730 O GLY A 108 -0.911 12.762 4.303 1.00 0.00 O ATOM 0 H GLY A 108 -4.265 10.328 4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.372 13.040 4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.267 11.608 5.726 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.305 10.572 3.972 1.00 0.00 N ATOM 1735 CA LEU A 109 0.088 10.248 3.686 1.00 0.00 C ATOM 1736 C LEU A 109 0.494 10.646 2.268 1.00 0.00 C ATOM 1737 O LEU A 109 1.553 11.239 2.067 1.00 0.00 O ATOM 1738 CB LEU A 109 0.332 8.749 3.899 1.00 0.00 C ATOM 1739 CG LEU A 109 1.784 8.289 3.732 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.687 8.981 4.742 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.883 6.780 3.880 1.00 0.00 C ATOM 0 H LEU A 109 -1.947 9.783 3.892 1.00 0.00 H new ATOM 0 HA LEU A 109 0.705 10.824 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.003 8.483 4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.290 8.194 3.197 1.00 0.00 H new ATOM 0 HG LEU A 109 2.116 8.563 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.713 8.640 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.640 10.060 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.355 8.740 5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.921 6.470 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.530 6.487 4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.269 6.299 3.119 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.340 10.319 1.286 1.00 0.00 N ATOM 1754 CA PHE A 110 0.028 10.516 -0.113 1.00 0.00 C ATOM 1755 C PHE A 110 -0.690 11.709 -0.735 1.00 0.00 C ATOM 1756 O PHE A 110 -0.226 12.268 -1.732 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.279 9.258 -0.925 1.00 0.00 C ATOM 1758 CG PHE A 110 0.490 8.051 -0.479 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.874 8.032 -0.548 1.00 0.00 C ATOM 1760 CD2 PHE A 110 -0.169 6.936 0.006 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.585 6.922 -0.142 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.537 5.822 0.412 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.916 5.816 0.338 1.00 0.00 C ATOM 0 H PHE A 110 -1.268 9.920 1.430 1.00 0.00 H new ATOM 0 HA PHE A 110 1.099 10.720 -0.135 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.346 9.044 -0.857 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.059 9.451 -1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.402 8.896 -0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.247 6.937 0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.663 6.919 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.012 4.956 0.787 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.470 4.945 0.656 1.00 0.00 H new