USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 958 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 124 CYS SG : rot 180:sc= -4.62! USER MOD Set 1.2: A 127 ASN :FLIP amide:sc= -3.33! C(o=-11!,f=-7.9!) USER MOD Set 2.1: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 13 GLN : amide:sc= 1.14 K(o=1.1,f=-0.65) USER MOD Single : A 22 SER OG : rot -62:sc= 0.964 USER MOD Single : A 23 MET CE :methyl -126:sc= -8.96! (180deg=-13.3!) USER MOD Single : A 28 ASN : amide:sc= -0.61 K(o=-0.61,f=-1.2) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.32) USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.389 (180deg=-0.864) USER MOD Single : A 44 CYS SG : rot 46:sc= 0.941 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= -1.36 (180deg=-1.71) USER MOD Single : A 62 ASN :FLIP amide:sc= -2.84 F(o=-4.7!,f=-2.8) USER MOD Single : A 63 MET CE :methyl -162:sc= -1.01 (180deg=-1.49) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00477) USER MOD Single : A 72 MET CE :methyl 174:sc= -1.26 (180deg=-1.58) USER MOD Single : A 74 MET CE :methyl -131:sc= -2.64 (180deg=-5.95!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -123:sc= -1.01 USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= -0.0101 (180deg=-0.16) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.54 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.32) USER MOD Single : A 104 GLN : amide:sc= -8.45 K(o=-8.4,f=-13!) USER MOD Single : A 105 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 106 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.2) USER MOD Single : A 108 ASN : amide:sc= 0.433 K(o=0.43,f=-9.5!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.00086 USER MOD Single : A 116 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.3) USER MOD Single : A 117 LYS NZ :NH3+ -158:sc= -0.0401 (180deg=-0.352) USER MOD Single : A 118 HIS : no HD1:sc= -1.85 X(o=-1.8,f=-1.6) USER MOD Single : A 119 CYS SG : rot -120:sc= -1.38 USER MOD Single : A 120 HIS : no HD1:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 129 THR OG1 : rot -9:sc= 1.18 USER MOD Single : A 135 HIS :FLIP no HE2:sc= -4.64! C(o=-6.6!,f=-4.6!) USER MOD Single : A 137 SER OG : rot -77:sc= 1.08 USER MOD Single : A 139 TYR OH : rot -35:sc= 0.186 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.037 22.765 4.990 1.00 0.00 N ATOM 67 CA GLU A 8 -1.935 21.525 5.751 1.00 0.00 C ATOM 68 C GLU A 8 -2.145 20.313 4.848 1.00 0.00 C ATOM 69 O GLU A 8 -1.406 19.333 4.927 1.00 0.00 O ATOM 70 CB GLU A 8 -2.961 21.513 6.886 1.00 0.00 C ATOM 71 CG GLU A 8 -4.400 21.609 6.408 1.00 0.00 C ATOM 72 CD GLU A 8 -5.324 22.204 7.453 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.829 22.938 8.333 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.542 21.936 7.389 1.00 0.00 O ATOM 0 HA GLU A 8 -0.933 21.470 6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.840 20.597 7.464 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.755 22.345 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.439 22.218 5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.756 20.615 6.137 1.00 0.00 H new ATOM 81 N GLN A 9 -3.158 20.390 3.990 1.00 0.00 N ATOM 82 CA GLN A 9 -3.466 19.299 3.073 1.00 0.00 C ATOM 83 C GLN A 9 -2.191 18.722 2.466 1.00 0.00 C ATOM 84 O GLN A 9 -2.046 17.506 2.344 1.00 0.00 O ATOM 85 CB GLN A 9 -4.399 19.786 1.963 1.00 0.00 C ATOM 86 CG GLN A 9 -5.299 18.696 1.404 1.00 0.00 C ATOM 87 CD GLN A 9 -6.166 19.185 0.260 1.00 0.00 C ATOM 88 OE1 GLN A 9 -5.955 20.276 -0.271 1.00 0.00 O ATOM 89 NE2 GLN A 9 -7.148 18.379 -0.126 1.00 0.00 N ATOM 0 H GLN A 9 -3.778 21.196 3.911 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.966 18.512 3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.019 20.595 2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.800 20.202 1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -4.685 17.864 1.060 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.937 18.313 2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.287 17.484 0.342 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.764 18.655 -0.891 1.00 0.00 H new ATOM 98 N ALA A 10 -1.271 19.603 2.088 1.00 0.00 N ATOM 99 CA ALA A 10 -0.008 19.181 1.495 1.00 0.00 C ATOM 100 C ALA A 10 0.747 18.237 2.425 1.00 0.00 C ATOM 101 O ALA A 10 1.218 17.182 2.003 1.00 0.00 O ATOM 102 CB ALA A 10 0.849 20.393 1.160 1.00 0.00 C ATOM 0 H ALA A 10 -1.376 20.613 2.182 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.230 18.641 0.574 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.789 20.063 0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.318 21.029 0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.054 20.956 2.070 1.00 0.00 H new ATOM 108 N GLU A 11 0.858 18.625 3.691 1.00 0.00 N ATOM 109 CA GLU A 11 1.557 17.813 4.680 1.00 0.00 C ATOM 110 C GLU A 11 0.818 16.501 4.928 1.00 0.00 C ATOM 111 O GLU A 11 1.436 15.447 5.079 1.00 0.00 O ATOM 112 CB GLU A 11 1.705 18.583 5.994 1.00 0.00 C ATOM 113 CG GLU A 11 2.424 19.913 5.842 1.00 0.00 C ATOM 114 CD GLU A 11 2.916 20.465 7.165 1.00 0.00 C ATOM 115 OE1 GLU A 11 2.104 21.077 7.891 1.00 0.00 O ATOM 116 OE2 GLU A 11 4.112 20.285 7.476 1.00 0.00 O ATOM 0 H GLU A 11 0.473 19.496 4.056 1.00 0.00 H new ATOM 0 HA GLU A 11 2.548 17.584 4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.715 18.761 6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.249 17.965 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.271 19.789 5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.751 20.635 5.379 1.00 0.00 H new ATOM 123 N ALA A 12 -0.508 16.574 4.968 1.00 0.00 N ATOM 124 CA ALA A 12 -1.332 15.393 5.195 1.00 0.00 C ATOM 125 C ALA A 12 -0.794 14.192 4.425 1.00 0.00 C ATOM 126 O ALA A 12 -0.601 13.117 4.992 1.00 0.00 O ATOM 127 CB ALA A 12 -2.775 15.672 4.801 1.00 0.00 C ATOM 0 H ALA A 12 -1.035 17.439 4.846 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.297 15.155 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.379 14.781 4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.163 16.496 5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.819 15.938 3.745 1.00 0.00 H new ATOM 133 N GLN A 13 -0.556 14.382 3.132 1.00 0.00 N ATOM 134 CA GLN A 13 -0.042 13.313 2.285 1.00 0.00 C ATOM 135 C GLN A 13 1.434 13.055 2.569 1.00 0.00 C ATOM 136 O GLN A 13 1.857 11.908 2.720 1.00 0.00 O ATOM 137 CB GLN A 13 -0.235 13.665 0.809 1.00 0.00 C ATOM 138 CG GLN A 13 -1.689 13.645 0.364 1.00 0.00 C ATOM 139 CD GLN A 13 -1.874 14.165 -1.048 1.00 0.00 C ATOM 140 OE1 GLN A 13 -0.943 14.152 -1.854 1.00 0.00 O ATOM 141 NE2 GLN A 13 -3.080 14.628 -1.355 1.00 0.00 N ATOM 0 H GLN A 13 -0.711 15.266 2.648 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.601 12.405 2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.180 14.656 0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.333 12.962 0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.070 12.625 0.424 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.283 14.248 1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.823 14.620 -0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.264 14.992 -2.290 1.00 0.00 H new ATOM 150 N LEU A 14 2.214 14.128 2.641 1.00 0.00 N ATOM 151 CA LEU A 14 3.644 14.018 2.908 1.00 0.00 C ATOM 152 C LEU A 14 3.902 13.199 4.168 1.00 0.00 C ATOM 153 O LEU A 14 4.489 12.119 4.109 1.00 0.00 O ATOM 154 CB LEU A 14 4.263 15.409 3.054 1.00 0.00 C ATOM 155 CG LEU A 14 5.707 15.451 3.557 1.00 0.00 C ATOM 156 CD1 LEU A 14 6.631 14.728 2.590 1.00 0.00 C ATOM 157 CD2 LEU A 14 6.161 16.890 3.756 1.00 0.00 C ATOM 0 H LEU A 14 1.880 15.084 2.518 1.00 0.00 H new ATOM 0 HA LEU A 14 4.108 13.507 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.222 15.907 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.644 15.990 3.737 1.00 0.00 H new ATOM 0 HG LEU A 14 5.751 14.941 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.654 14.769 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.319 13.688 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.583 15.209 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.190 16.901 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.101 17.425 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.517 17.377 4.489 1.00 0.00 H new ATOM 169 N ALA A 15 3.457 13.719 5.307 1.00 0.00 N ATOM 170 CA ALA A 15 3.635 13.034 6.581 1.00 0.00 C ATOM 171 C ALA A 15 3.535 11.522 6.410 1.00 0.00 C ATOM 172 O ALA A 15 4.423 10.781 6.830 1.00 0.00 O ATOM 173 CB ALA A 15 2.608 13.523 7.592 1.00 0.00 C ATOM 0 H ALA A 15 2.970 14.613 5.373 1.00 0.00 H new ATOM 0 HA ALA A 15 4.633 13.266 6.953 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.753 13.003 8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.730 14.595 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.604 13.322 7.217 1.00 0.00 H new ATOM 179 N GLU A 16 2.447 11.072 5.793 1.00 0.00 N ATOM 180 CA GLU A 16 2.231 9.647 5.569 1.00 0.00 C ATOM 181 C GLU A 16 3.422 9.024 4.845 1.00 0.00 C ATOM 182 O GLU A 16 3.987 8.028 5.299 1.00 0.00 O ATOM 183 CB GLU A 16 0.953 9.424 4.758 1.00 0.00 C ATOM 184 CG GLU A 16 0.470 7.983 4.767 1.00 0.00 C ATOM 185 CD GLU A 16 0.157 7.483 6.164 1.00 0.00 C ATOM 186 OE1 GLU A 16 1.107 7.129 6.894 1.00 0.00 O ATOM 187 OE2 GLU A 16 -1.037 7.444 6.527 1.00 0.00 O ATOM 0 H GLU A 16 1.702 11.673 5.440 1.00 0.00 H new ATOM 0 HA GLU A 16 2.125 9.164 6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.165 10.065 5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.128 9.733 3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.422 7.899 4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.232 7.345 4.319 1.00 0.00 H new ATOM 194 N LEU A 17 3.797 9.617 3.717 1.00 0.00 N ATOM 195 CA LEU A 17 4.919 9.120 2.928 1.00 0.00 C ATOM 196 C LEU A 17 6.181 9.021 3.780 1.00 0.00 C ATOM 197 O LEU A 17 6.833 7.978 3.823 1.00 0.00 O ATOM 198 CB LEU A 17 5.170 10.036 1.729 1.00 0.00 C ATOM 199 CG LEU A 17 4.074 10.063 0.664 1.00 0.00 C ATOM 200 CD1 LEU A 17 4.309 11.202 -0.316 1.00 0.00 C ATOM 201 CD2 LEU A 17 4.009 8.731 -0.069 1.00 0.00 C ATOM 0 H LEU A 17 3.341 10.442 3.328 1.00 0.00 H new ATOM 0 HA LEU A 17 4.666 8.123 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.316 11.051 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.103 9.732 1.254 1.00 0.00 H new ATOM 0 HG LEU A 17 3.117 10.229 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.519 11.205 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.303 12.151 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.274 11.068 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.223 8.769 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.966 8.534 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.791 7.934 0.642 1.00 0.00 H new ATOM 213 N ASP A 18 6.518 10.113 4.458 1.00 0.00 N ATOM 214 CA ASP A 18 7.700 10.148 5.311 1.00 0.00 C ATOM 215 C ASP A 18 7.656 9.029 6.347 1.00 0.00 C ATOM 216 O ASP A 18 8.632 8.302 6.533 1.00 0.00 O ATOM 217 CB ASP A 18 7.809 11.504 6.011 1.00 0.00 C ATOM 218 CG ASP A 18 8.966 11.559 6.989 1.00 0.00 C ATOM 219 OD1 ASP A 18 9.129 10.597 7.769 1.00 0.00 O ATOM 220 OD2 ASP A 18 9.708 12.564 6.976 1.00 0.00 O ATOM 0 H ASP A 18 5.989 10.985 4.433 1.00 0.00 H new ATOM 0 HA ASP A 18 8.577 10.001 4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.932 12.287 5.263 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.879 11.712 6.540 1.00 0.00 H new ATOM 225 N LEU A 19 6.518 8.898 7.020 1.00 0.00 N ATOM 226 CA LEU A 19 6.346 7.868 8.039 1.00 0.00 C ATOM 227 C LEU A 19 6.615 6.481 7.463 1.00 0.00 C ATOM 228 O LEU A 19 7.557 5.800 7.869 1.00 0.00 O ATOM 229 CB LEU A 19 4.931 7.926 8.618 1.00 0.00 C ATOM 230 CG LEU A 19 4.755 7.342 10.020 1.00 0.00 C ATOM 231 CD1 LEU A 19 3.475 7.860 10.657 1.00 0.00 C ATOM 232 CD2 LEU A 19 4.748 5.821 9.967 1.00 0.00 C ATOM 0 H LEU A 19 5.701 9.492 6.879 1.00 0.00 H new ATOM 0 HA LEU A 19 7.066 8.057 8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.610 8.968 8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.261 7.398 7.940 1.00 0.00 H new ATOM 0 HG LEU A 19 5.597 7.661 10.634 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.367 7.434 11.654 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.519 8.947 10.730 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.621 7.571 10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.622 5.422 10.974 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.925 5.483 9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.692 5.467 9.552 1.00 0.00 H new ATOM 244 N LEU A 20 5.784 6.070 6.512 1.00 0.00 N ATOM 245 CA LEU A 20 5.933 4.765 5.877 1.00 0.00 C ATOM 246 C LEU A 20 7.406 4.395 5.732 1.00 0.00 C ATOM 247 O LEU A 20 7.830 3.319 6.152 1.00 0.00 O ATOM 248 CB LEU A 20 5.257 4.764 4.504 1.00 0.00 C ATOM 249 CG LEU A 20 3.729 4.705 4.509 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.173 5.204 3.184 1.00 0.00 C ATOM 251 CD2 LEU A 20 3.251 3.288 4.791 1.00 0.00 C ATOM 0 H LEU A 20 5.000 6.621 6.163 1.00 0.00 H new ATOM 0 HA LEU A 20 5.452 4.022 6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.564 5.663 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.632 3.912 3.937 1.00 0.00 H new ATOM 0 HG LEU A 20 3.361 5.355 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.084 5.155 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.487 6.235 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.549 4.580 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.161 3.265 4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.628 2.616 4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.621 2.966 5.765 1.00 0.00 H new ATOM 263 N ALA A 21 8.181 5.296 5.137 1.00 0.00 N ATOM 264 CA ALA A 21 9.607 5.066 4.941 1.00 0.00 C ATOM 265 C ALA A 21 10.241 4.459 6.187 1.00 0.00 C ATOM 266 O ALA A 21 10.994 3.488 6.102 1.00 0.00 O ATOM 267 CB ALA A 21 10.305 6.367 4.572 1.00 0.00 C ATOM 0 H ALA A 21 7.845 6.192 4.783 1.00 0.00 H new ATOM 0 HA ALA A 21 9.727 4.357 4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.369 6.181 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.878 6.760 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.168 7.093 5.373 1.00 0.00 H new ATOM 273 N SER A 22 9.934 5.036 7.344 1.00 0.00 N ATOM 274 CA SER A 22 10.478 4.554 8.608 1.00 0.00 C ATOM 275 C SER A 22 9.925 3.173 8.946 1.00 0.00 C ATOM 276 O SER A 22 10.664 2.281 9.361 1.00 0.00 O ATOM 277 CB SER A 22 10.154 5.535 9.735 1.00 0.00 C ATOM 278 OG SER A 22 8.761 5.573 9.993 1.00 0.00 O ATOM 0 H SER A 22 9.311 5.839 7.432 1.00 0.00 H new ATOM 0 HA SER A 22 11.560 4.478 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.687 5.243 10.640 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.505 6.531 9.466 1.00 0.00 H new ATOM 0 HG SER A 22 8.289 5.885 9.193 1.00 0.00 H new ATOM 284 N MET A 23 8.619 3.005 8.764 1.00 0.00 N ATOM 285 CA MET A 23 7.966 1.732 9.049 1.00 0.00 C ATOM 286 C MET A 23 8.604 0.603 8.247 1.00 0.00 C ATOM 287 O MET A 23 8.750 -0.516 8.740 1.00 0.00 O ATOM 288 CB MET A 23 6.472 1.819 8.730 1.00 0.00 C ATOM 289 CG MET A 23 5.695 2.701 9.694 1.00 0.00 C ATOM 290 SD MET A 23 5.212 1.829 11.197 1.00 0.00 S ATOM 291 CE MET A 23 4.262 0.474 10.511 1.00 0.00 C ATOM 0 H MET A 23 7.993 3.733 8.421 1.00 0.00 H new ATOM 0 HA MET A 23 8.092 1.516 10.110 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.347 2.203 7.718 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.047 0.816 8.745 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.303 3.566 9.960 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.803 3.080 9.195 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.276 0.450 10.974 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.155 0.613 9.435 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.777 -0.467 10.706 1.00 0.00 H new ATOM 301 N PHE A 24 8.982 0.902 7.008 1.00 0.00 N ATOM 302 CA PHE A 24 9.603 -0.089 6.138 1.00 0.00 C ATOM 303 C PHE A 24 11.090 0.202 5.956 1.00 0.00 C ATOM 304 O PHE A 24 11.534 0.655 4.900 1.00 0.00 O ATOM 305 CB PHE A 24 8.905 -0.112 4.776 1.00 0.00 C ATOM 306 CG PHE A 24 7.451 -0.481 4.854 1.00 0.00 C ATOM 307 CD1 PHE A 24 6.543 0.357 5.479 1.00 0.00 C ATOM 308 CD2 PHE A 24 6.994 -1.666 4.300 1.00 0.00 C ATOM 309 CE1 PHE A 24 5.205 0.019 5.552 1.00 0.00 C ATOM 310 CE2 PHE A 24 5.656 -2.009 4.370 1.00 0.00 C ATOM 311 CZ PHE A 24 4.761 -1.165 4.996 1.00 0.00 C ATOM 0 H PHE A 24 8.869 1.823 6.584 1.00 0.00 H new ATOM 0 HA PHE A 24 9.498 -1.066 6.609 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.998 0.870 4.312 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.417 -0.821 4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.884 1.285 5.914 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.690 -2.329 3.808 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.507 0.680 6.044 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.312 -2.936 3.935 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.715 -1.430 5.051 1.00 0.00 H new ATOM 357 N ASN A 28 14.852 -3.889 0.958 1.00 0.00 N ATOM 358 CA ASN A 28 13.984 -4.228 -0.164 1.00 0.00 C ATOM 359 C ASN A 28 12.546 -4.429 0.303 1.00 0.00 C ATOM 360 O ASN A 28 11.892 -5.402 -0.070 1.00 0.00 O ATOM 361 CB ASN A 28 14.487 -5.495 -0.860 1.00 0.00 C ATOM 362 CG ASN A 28 14.334 -6.730 0.006 1.00 0.00 C ATOM 363 OD1 ASN A 28 13.390 -7.504 -0.159 1.00 0.00 O ATOM 364 ND2 ASN A 28 15.263 -6.921 0.935 1.00 0.00 N ATOM 0 HA ASN A 28 14.006 -3.399 -0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.938 -5.637 -1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 28 15.537 -5.368 -1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.212 -7.735 1.547 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.028 -6.254 1.036 1.00 0.00 H new ATOM 371 N GLU A 29 12.060 -3.500 1.121 1.00 0.00 N ATOM 372 CA GLU A 29 10.699 -3.576 1.638 1.00 0.00 C ATOM 373 C GLU A 29 9.791 -2.575 0.929 1.00 0.00 C ATOM 374 O GLU A 29 8.633 -2.872 0.630 1.00 0.00 O ATOM 375 CB GLU A 29 10.687 -3.312 3.145 1.00 0.00 C ATOM 376 CG GLU A 29 10.875 -4.565 3.984 1.00 0.00 C ATOM 377 CD GLU A 29 9.629 -5.429 4.030 1.00 0.00 C ATOM 378 OE1 GLU A 29 8.603 -4.962 4.567 1.00 0.00 O ATOM 379 OE2 GLU A 29 9.682 -6.572 3.530 1.00 0.00 O ATOM 0 H GLU A 29 12.588 -2.687 1.439 1.00 0.00 H new ATOM 0 HA GLU A 29 10.322 -4.581 1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.477 -2.601 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.741 -2.842 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.702 -5.148 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.153 -4.280 4.999 1.00 0.00 H new ATOM 386 N LEU A 30 10.323 -1.387 0.663 1.00 0.00 N ATOM 387 CA LEU A 30 9.562 -0.341 -0.011 1.00 0.00 C ATOM 388 C LEU A 30 10.439 0.418 -1.001 1.00 0.00 C ATOM 389 O LEU A 30 11.627 0.629 -0.758 1.00 0.00 O ATOM 390 CB LEU A 30 8.973 0.629 1.015 1.00 0.00 C ATOM 391 CG LEU A 30 8.550 1.997 0.478 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.425 2.577 1.322 1.00 0.00 C ATOM 393 CD2 LEU A 30 9.738 2.948 0.445 1.00 0.00 C ATOM 0 H LEU A 30 11.279 -1.124 0.904 1.00 0.00 H new ATOM 0 HA LEU A 30 8.750 -0.814 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.105 0.157 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.708 0.782 1.805 1.00 0.00 H new ATOM 0 HG LEU A 30 8.184 1.869 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.137 3.550 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.567 1.906 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.764 2.691 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.418 3.916 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.134 3.071 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.514 2.539 -0.202 1.00 0.00 H new ATOM 405 N ILE A 31 9.844 0.828 -2.117 1.00 0.00 N ATOM 406 CA ILE A 31 10.570 1.567 -3.142 1.00 0.00 C ATOM 407 C ILE A 31 9.692 2.646 -3.768 1.00 0.00 C ATOM 408 O ILE A 31 8.646 2.352 -4.346 1.00 0.00 O ATOM 409 CB ILE A 31 11.085 0.632 -4.252 1.00 0.00 C ATOM 410 CG1 ILE A 31 12.012 -0.433 -3.662 1.00 0.00 C ATOM 411 CG2 ILE A 31 11.805 1.432 -5.327 1.00 0.00 C ATOM 412 CD1 ILE A 31 11.290 -1.692 -3.234 1.00 0.00 C ATOM 0 H ILE A 31 8.861 0.661 -2.334 1.00 0.00 H new ATOM 0 HA ILE A 31 11.422 2.036 -2.649 1.00 0.00 H new ATOM 0 HB ILE A 31 10.232 0.131 -4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.771 -0.692 -4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.534 -0.013 -2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 31 12.163 0.757 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.117 2.156 -5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.651 1.957 -4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.009 -2.403 -2.826 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.550 -1.446 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.791 -2.136 -4.095 1.00 0.00 H new ATOM 424 N VAL A 32 10.126 3.896 -3.650 1.00 0.00 N ATOM 425 CA VAL A 32 9.382 5.020 -4.207 1.00 0.00 C ATOM 426 C VAL A 32 9.924 5.413 -5.577 1.00 0.00 C ATOM 427 O VAL A 32 10.887 6.172 -5.679 1.00 0.00 O ATOM 428 CB VAL A 32 9.434 6.245 -3.275 1.00 0.00 C ATOM 429 CG1 VAL A 32 8.833 7.463 -3.960 1.00 0.00 C ATOM 430 CG2 VAL A 32 8.715 5.949 -1.967 1.00 0.00 C ATOM 0 H VAL A 32 10.989 4.157 -3.174 1.00 0.00 H new ATOM 0 HA VAL A 32 8.347 4.695 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 32 10.477 6.464 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.878 8.319 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.395 7.685 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.794 7.259 -4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.761 6.825 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.673 5.704 -2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.195 5.106 -1.471 1.00 0.00 H new ATOM 440 N ASN A 33 9.299 4.892 -6.627 1.00 0.00 N ATOM 441 CA ASN A 33 9.719 5.189 -7.992 1.00 0.00 C ATOM 442 C ASN A 33 9.552 6.674 -8.301 1.00 0.00 C ATOM 443 O ASN A 33 10.481 7.328 -8.775 1.00 0.00 O ATOM 444 CB ASN A 33 8.912 4.355 -8.989 1.00 0.00 C ATOM 445 CG ASN A 33 9.565 3.020 -9.288 1.00 0.00 C ATOM 446 OD1 ASN A 33 10.416 2.916 -10.172 1.00 0.00 O ATOM 447 ND2 ASN A 33 9.170 1.989 -8.549 1.00 0.00 N ATOM 0 H ASN A 33 8.500 4.262 -6.559 1.00 0.00 H new ATOM 0 HA ASN A 33 10.774 4.933 -8.085 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.911 4.186 -8.591 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.796 4.915 -9.917 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.575 1.066 -8.704 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.462 2.121 -7.827 1.00 0.00 H new ATOM 454 N ASP A 34 8.362 7.199 -8.030 1.00 0.00 N ATOM 455 CA ASP A 34 8.073 8.606 -8.277 1.00 0.00 C ATOM 456 C ASP A 34 8.796 9.495 -7.270 1.00 0.00 C ATOM 457 O ASP A 34 8.546 9.417 -6.068 1.00 0.00 O ATOM 458 CB ASP A 34 6.566 8.859 -8.210 1.00 0.00 C ATOM 459 CG ASP A 34 6.235 10.261 -7.736 1.00 0.00 C ATOM 460 OD1 ASP A 34 6.292 11.195 -8.562 1.00 0.00 O ATOM 461 OD2 ASP A 34 5.920 10.424 -6.538 1.00 0.00 O ATOM 0 H ASP A 34 7.582 6.671 -7.639 1.00 0.00 H new ATOM 0 HA ASP A 34 8.431 8.854 -9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.129 8.699 -9.196 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.108 8.134 -7.537 1.00 0.00 H new ATOM 466 N GLN A 35 9.695 10.337 -7.770 1.00 0.00 N ATOM 467 CA GLN A 35 10.456 11.239 -6.913 1.00 0.00 C ATOM 468 C GLN A 35 10.024 12.686 -7.126 1.00 0.00 C ATOM 469 O GLN A 35 9.994 13.481 -6.186 1.00 0.00 O ATOM 470 CB GLN A 35 11.953 11.095 -7.187 1.00 0.00 C ATOM 471 CG GLN A 35 12.605 9.954 -6.423 1.00 0.00 C ATOM 472 CD GLN A 35 12.482 10.112 -4.920 1.00 0.00 C ATOM 473 OE1 GLN A 35 12.784 11.171 -4.369 1.00 0.00 O ATOM 474 NE2 GLN A 35 12.036 9.058 -4.248 1.00 0.00 N ATOM 0 H GLN A 35 9.914 10.413 -8.763 1.00 0.00 H new ATOM 0 HA GLN A 35 10.257 10.969 -5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.105 10.939 -8.255 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.453 12.028 -6.926 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.147 9.012 -6.724 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.659 9.897 -6.693 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.797 8.200 -4.745 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.932 9.106 -3.234 1.00 0.00 H new ATOM 483 N LEU A 36 9.692 13.022 -8.368 1.00 0.00 N ATOM 484 CA LEU A 36 9.262 14.375 -8.705 1.00 0.00 C ATOM 485 C LEU A 36 8.092 14.809 -7.828 1.00 0.00 C ATOM 486 O LEU A 36 8.220 15.721 -7.012 1.00 0.00 O ATOM 487 CB LEU A 36 8.864 14.451 -10.180 1.00 0.00 C ATOM 488 CG LEU A 36 8.488 15.838 -10.703 1.00 0.00 C ATOM 489 CD1 LEU A 36 9.728 16.703 -10.862 1.00 0.00 C ATOM 490 CD2 LEU A 36 7.740 15.726 -12.023 1.00 0.00 C ATOM 0 H LEU A 36 9.712 12.377 -9.158 1.00 0.00 H new ATOM 0 HA LEU A 36 10.097 15.051 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.691 14.071 -10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.019 13.782 -10.343 1.00 0.00 H new ATOM 0 HG LEU A 36 7.830 16.313 -9.975 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.441 17.686 -11.235 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.222 16.812 -9.897 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.412 16.232 -11.569 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.481 16.723 -12.380 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.373 15.230 -12.759 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.830 15.145 -11.877 1.00 0.00 H new ATOM 502 N ALA A 37 6.952 14.148 -8.001 1.00 0.00 N ATOM 503 CA ALA A 37 5.760 14.463 -7.223 1.00 0.00 C ATOM 504 C ALA A 37 6.119 14.784 -5.776 1.00 0.00 C ATOM 505 O ALA A 37 5.637 15.765 -5.209 1.00 0.00 O ATOM 506 CB ALA A 37 4.772 13.308 -7.280 1.00 0.00 C ATOM 0 H ALA A 37 6.829 13.391 -8.673 1.00 0.00 H new ATOM 0 HA ALA A 37 5.294 15.347 -7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.887 13.557 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.483 13.127 -8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.237 12.411 -6.871 1.00 0.00 H new ATOM 512 N VAL A 38 6.967 13.950 -5.183 1.00 0.00 N ATOM 513 CA VAL A 38 7.391 14.145 -3.801 1.00 0.00 C ATOM 514 C VAL A 38 8.244 15.401 -3.660 1.00 0.00 C ATOM 515 O VAL A 38 8.020 16.218 -2.767 1.00 0.00 O ATOM 516 CB VAL A 38 8.190 12.935 -3.283 1.00 0.00 C ATOM 517 CG1 VAL A 38 8.666 13.180 -1.859 1.00 0.00 C ATOM 518 CG2 VAL A 38 7.350 11.669 -3.362 1.00 0.00 C ATOM 0 H VAL A 38 7.374 13.133 -5.638 1.00 0.00 H new ATOM 0 HA VAL A 38 6.485 14.255 -3.205 1.00 0.00 H new ATOM 0 HB VAL A 38 9.067 12.802 -3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.229 12.314 -1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.306 14.062 -1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.805 13.339 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.930 10.824 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.454 11.788 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.063 11.487 -4.398 1.00 0.00 H new ATOM 528 N ALA A 39 9.221 15.549 -4.548 1.00 0.00 N ATOM 529 CA ALA A 39 10.106 16.707 -4.524 1.00 0.00 C ATOM 530 C ALA A 39 9.310 18.007 -4.532 1.00 0.00 C ATOM 531 O ALA A 39 9.529 18.884 -3.697 1.00 0.00 O ATOM 532 CB ALA A 39 11.063 16.664 -5.707 1.00 0.00 C ATOM 0 H ALA A 39 9.420 14.881 -5.293 1.00 0.00 H new ATOM 0 HA ALA A 39 10.685 16.672 -3.601 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.718 17.535 -5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.664 15.756 -5.656 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.493 16.671 -6.636 1.00 0.00 H new ATOM 538 N GLU A 40 8.386 18.124 -5.480 1.00 0.00 N ATOM 539 CA GLU A 40 7.558 19.319 -5.596 1.00 0.00 C ATOM 540 C GLU A 40 6.663 19.482 -4.371 1.00 0.00 C ATOM 541 O GLU A 40 6.623 20.547 -3.754 1.00 0.00 O ATOM 542 CB GLU A 40 6.701 19.252 -6.863 1.00 0.00 C ATOM 543 CG GLU A 40 7.435 19.692 -8.118 1.00 0.00 C ATOM 544 CD GLU A 40 7.329 21.185 -8.363 1.00 0.00 C ATOM 545 OE1 GLU A 40 7.731 21.962 -7.473 1.00 0.00 O ATOM 546 OE2 GLU A 40 6.844 21.574 -9.446 1.00 0.00 O ATOM 0 H GLU A 40 8.192 17.407 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 40 8.219 20.183 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.347 18.230 -6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.820 19.879 -6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.486 19.415 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.031 19.157 -8.977 1.00 0.00 H new ATOM 553 N LEU A 41 5.945 18.419 -4.025 1.00 0.00 N ATOM 554 CA LEU A 41 5.049 18.442 -2.874 1.00 0.00 C ATOM 555 C LEU A 41 5.738 19.056 -1.660 1.00 0.00 C ATOM 556 O LEU A 41 5.245 20.019 -1.073 1.00 0.00 O ATOM 557 CB LEU A 41 4.574 17.026 -2.544 1.00 0.00 C ATOM 558 CG LEU A 41 3.815 16.863 -1.226 1.00 0.00 C ATOM 559 CD1 LEU A 41 2.441 17.508 -1.319 1.00 0.00 C ATOM 560 CD2 LEU A 41 3.692 15.391 -0.860 1.00 0.00 C ATOM 0 H LEU A 41 5.966 17.530 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 41 4.186 19.057 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.932 16.681 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.443 16.368 -2.524 1.00 0.00 H new ATOM 0 HG LEU A 41 4.378 17.366 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.915 17.382 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.552 18.571 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.870 17.034 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.149 15.294 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.152 14.864 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.687 14.959 -0.751 1.00 0.00 H new ATOM 572 N LYS A 42 6.884 18.494 -1.289 1.00 0.00 N ATOM 573 CA LYS A 42 7.645 18.987 -0.147 1.00 0.00 C ATOM 574 C LYS A 42 8.072 20.435 -0.363 1.00 0.00 C ATOM 575 O LYS A 42 7.885 21.284 0.510 1.00 0.00 O ATOM 576 CB LYS A 42 8.877 18.110 0.088 1.00 0.00 C ATOM 577 CG LYS A 42 8.583 16.850 0.883 1.00 0.00 C ATOM 578 CD LYS A 42 9.544 15.728 0.525 1.00 0.00 C ATOM 579 CE LYS A 42 10.782 15.752 1.408 1.00 0.00 C ATOM 580 NZ LYS A 42 10.441 15.585 2.847 1.00 0.00 N ATOM 0 H LYS A 42 7.306 17.696 -1.763 1.00 0.00 H new ATOM 0 HA LYS A 42 7.003 18.943 0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.303 17.831 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.633 18.693 0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.655 17.066 1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.559 16.528 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.039 14.768 0.630 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.839 15.820 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.462 14.957 1.101 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.310 16.695 1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.292 15.304 3.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.081 16.484 3.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.712 14.850 2.948 1.00 0.00 H new ATOM 594 N ASP A 43 8.645 20.711 -1.529 1.00 0.00 N ATOM 595 CA ASP A 43 9.096 22.058 -1.860 1.00 0.00 C ATOM 596 C ASP A 43 7.973 23.071 -1.663 1.00 0.00 C ATOM 597 O ASP A 43 8.206 24.189 -1.203 1.00 0.00 O ATOM 598 CB ASP A 43 9.599 22.110 -3.303 1.00 0.00 C ATOM 599 CG ASP A 43 10.607 23.221 -3.525 1.00 0.00 C ATOM 600 OD1 ASP A 43 10.594 24.197 -2.747 1.00 0.00 O ATOM 601 OD2 ASP A 43 11.407 23.114 -4.478 1.00 0.00 O ATOM 0 H ASP A 43 8.808 20.020 -2.261 1.00 0.00 H new ATOM 0 HA ASP A 43 9.915 22.316 -1.188 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.054 21.154 -3.561 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.753 22.252 -3.975 1.00 0.00 H new ATOM 606 N CYS A 44 6.755 22.673 -2.015 1.00 0.00 N ATOM 607 CA CYS A 44 5.596 23.547 -1.879 1.00 0.00 C ATOM 608 C CYS A 44 5.405 23.974 -0.427 1.00 0.00 C ATOM 609 O CYS A 44 5.393 25.166 -0.117 1.00 0.00 O ATOM 610 CB CYS A 44 4.337 22.842 -2.385 1.00 0.00 C ATOM 611 SG CYS A 44 4.448 22.273 -4.098 1.00 0.00 S ATOM 0 H CYS A 44 6.545 21.751 -2.397 1.00 0.00 H new ATOM 0 HA CYS A 44 5.771 24.438 -2.481 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.129 21.987 -1.742 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.491 23.523 -2.294 1.00 0.00 H new ATOM 0 HG CYS A 44 5.584 21.669 -4.282 1.00 0.00 H new ATOM 617 N ILE A 45 5.253 22.995 0.457 1.00 0.00 N ATOM 618 CA ILE A 45 5.062 23.270 1.876 1.00 0.00 C ATOM 619 C ILE A 45 6.075 24.291 2.380 1.00 0.00 C ATOM 620 O ILE A 45 5.705 25.319 2.946 1.00 0.00 O ATOM 621 CB ILE A 45 5.181 21.986 2.719 1.00 0.00 C ATOM 622 CG1 ILE A 45 4.155 20.949 2.257 1.00 0.00 C ATOM 623 CG2 ILE A 45 4.993 22.303 4.195 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.590 19.521 2.498 1.00 0.00 C ATOM 0 H ILE A 45 5.258 22.004 0.216 1.00 0.00 H new ATOM 0 HA ILE A 45 4.056 23.676 1.986 1.00 0.00 H new ATOM 0 HB ILE A 45 6.179 21.569 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.213 21.126 2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.964 21.088 1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.080 21.386 4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.758 23.010 4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.007 22.740 4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.815 18.840 2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.516 19.327 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.753 19.365 3.564 1.00 0.00 H new ATOM 636 N GLU A 46 7.355 24.001 2.167 1.00 0.00 N ATOM 637 CA GLU A 46 8.422 24.896 2.599 1.00 0.00 C ATOM 638 C GLU A 46 8.269 26.274 1.961 1.00 0.00 C ATOM 639 O GLU A 46 8.367 27.299 2.636 1.00 0.00 O ATOM 640 CB GLU A 46 9.788 24.307 2.243 1.00 0.00 C ATOM 641 CG GLU A 46 10.332 23.352 3.293 1.00 0.00 C ATOM 642 CD GLU A 46 11.054 24.069 4.416 1.00 0.00 C ATOM 643 OE1 GLU A 46 10.526 25.090 4.905 1.00 0.00 O ATOM 644 OE2 GLU A 46 12.148 23.610 4.807 1.00 0.00 O ATOM 0 H GLU A 46 7.678 23.154 1.699 1.00 0.00 H new ATOM 0 HA GLU A 46 8.352 25.006 3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.711 23.781 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.499 25.121 2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.510 22.769 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.015 22.647 2.819 1.00 0.00 H new ATOM 783 N SER A 55 2.483 15.544 -10.272 1.00 0.00 N ATOM 784 CA SER A 55 2.134 14.161 -10.574 1.00 0.00 C ATOM 785 C SER A 55 1.634 13.442 -9.324 1.00 0.00 C ATOM 786 O SER A 55 1.758 13.950 -8.210 1.00 0.00 O ATOM 787 CB SER A 55 3.342 13.422 -11.152 1.00 0.00 C ATOM 788 OG SER A 55 2.938 12.284 -11.893 1.00 0.00 O ATOM 0 HA SER A 55 1.333 14.167 -11.314 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.910 14.095 -11.794 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.006 13.116 -10.343 1.00 0.00 H new ATOM 0 HG SER A 55 3.729 11.831 -12.253 1.00 0.00 H new ATOM 794 N LYS A 56 1.068 12.256 -9.518 1.00 0.00 N ATOM 795 CA LYS A 56 0.549 11.464 -8.409 1.00 0.00 C ATOM 796 C LYS A 56 1.670 10.690 -7.723 1.00 0.00 C ATOM 797 O LYS A 56 2.492 10.053 -8.382 1.00 0.00 O ATOM 798 CB LYS A 56 -0.525 10.495 -8.906 1.00 0.00 C ATOM 799 CG LYS A 56 -1.906 11.118 -9.011 1.00 0.00 C ATOM 800 CD LYS A 56 -2.855 10.242 -9.811 1.00 0.00 C ATOM 801 CE LYS A 56 -4.094 11.012 -10.244 1.00 0.00 C ATOM 802 NZ LYS A 56 -4.931 11.414 -9.080 1.00 0.00 N ATOM 0 H LYS A 56 0.957 11.821 -10.434 1.00 0.00 H new ATOM 0 HA LYS A 56 0.105 12.146 -7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.233 10.113 -9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.572 9.640 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.311 11.276 -8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.829 12.098 -9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.340 9.855 -10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.151 9.382 -9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.794 11.900 -10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.686 10.397 -10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.878 11.688 -9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.013 10.615 -8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.488 12.220 -8.596 1.00 0.00 H new ATOM 816 N VAL A 57 1.695 10.747 -6.395 1.00 0.00 N ATOM 817 CA VAL A 57 2.713 10.049 -5.619 1.00 0.00 C ATOM 818 C VAL A 57 2.638 8.543 -5.843 1.00 0.00 C ATOM 819 O VAL A 57 1.707 7.882 -5.384 1.00 0.00 O ATOM 820 CB VAL A 57 2.570 10.340 -4.114 1.00 0.00 C ATOM 821 CG1 VAL A 57 3.583 9.535 -3.315 1.00 0.00 C ATOM 822 CG2 VAL A 57 2.727 11.829 -3.842 1.00 0.00 C ATOM 0 H VAL A 57 1.022 11.269 -5.834 1.00 0.00 H new ATOM 0 HA VAL A 57 3.680 10.417 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 57 1.571 10.039 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.466 9.754 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.419 8.471 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.591 9.802 -3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.623 12.017 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.712 12.158 -4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.959 12.381 -4.384 1.00 0.00 H new ATOM 832 N TYR A 58 3.625 8.006 -6.552 1.00 0.00 N ATOM 833 CA TYR A 58 3.670 6.577 -6.839 1.00 0.00 C ATOM 834 C TYR A 58 4.789 5.899 -6.055 1.00 0.00 C ATOM 835 O TYR A 58 5.951 6.299 -6.135 1.00 0.00 O ATOM 836 CB TYR A 58 3.869 6.343 -8.338 1.00 0.00 C ATOM 837 CG TYR A 58 3.830 4.884 -8.733 1.00 0.00 C ATOM 838 CD1 TYR A 58 2.888 4.021 -8.188 1.00 0.00 C ATOM 839 CD2 TYR A 58 4.736 4.369 -9.653 1.00 0.00 C ATOM 840 CE1 TYR A 58 2.850 2.687 -8.546 1.00 0.00 C ATOM 841 CE2 TYR A 58 4.704 3.037 -10.018 1.00 0.00 C ATOM 842 CZ TYR A 58 3.759 2.200 -9.461 1.00 0.00 C ATOM 843 OH TYR A 58 3.723 0.872 -9.821 1.00 0.00 O ATOM 0 H TYR A 58 4.404 8.539 -6.938 1.00 0.00 H new ATOM 0 HA TYR A 58 2.720 6.140 -6.532 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.096 6.880 -8.887 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.827 6.767 -8.639 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.173 4.399 -7.472 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.478 5.021 -10.090 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.112 2.029 -8.111 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.414 2.653 -10.735 1.00 0.00 H new ATOM 0 HH TYR A 58 4.430 0.691 -10.475 1.00 0.00 H new ATOM 853 N PHE A 59 4.430 4.868 -5.296 1.00 0.00 N ATOM 854 CA PHE A 59 5.402 4.133 -4.496 1.00 0.00 C ATOM 855 C PHE A 59 4.941 2.697 -4.264 1.00 0.00 C ATOM 856 O PHE A 59 3.893 2.458 -3.662 1.00 0.00 O ATOM 857 CB PHE A 59 5.623 4.833 -3.153 1.00 0.00 C ATOM 858 CG PHE A 59 4.407 4.835 -2.271 1.00 0.00 C ATOM 859 CD1 PHE A 59 3.283 5.567 -2.620 1.00 0.00 C ATOM 860 CD2 PHE A 59 4.387 4.105 -1.094 1.00 0.00 C ATOM 861 CE1 PHE A 59 2.163 5.572 -1.810 1.00 0.00 C ATOM 862 CE2 PHE A 59 3.269 4.105 -0.280 1.00 0.00 C ATOM 863 CZ PHE A 59 2.156 4.839 -0.640 1.00 0.00 C ATOM 0 H PHE A 59 3.473 4.523 -5.219 1.00 0.00 H new ATOM 0 HA PHE A 59 6.343 4.110 -5.045 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.443 4.343 -2.627 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.932 5.862 -3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.282 6.140 -3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.255 3.529 -0.809 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.294 6.149 -2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.266 3.532 0.635 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.281 4.840 -0.007 1.00 0.00 H new ATOM 873 N THR A 60 5.731 1.743 -4.747 1.00 0.00 N ATOM 874 CA THR A 60 5.404 0.331 -4.595 1.00 0.00 C ATOM 875 C THR A 60 5.999 -0.236 -3.311 1.00 0.00 C ATOM 876 O THR A 60 7.120 0.106 -2.932 1.00 0.00 O ATOM 877 CB THR A 60 5.912 -0.496 -5.791 1.00 0.00 C ATOM 878 OG1 THR A 60 5.435 0.072 -7.016 1.00 0.00 O ATOM 879 CG2 THR A 60 5.453 -1.942 -5.684 1.00 0.00 C ATOM 0 H THR A 60 6.602 1.923 -5.247 1.00 0.00 H new ATOM 0 HA THR A 60 4.317 0.262 -4.551 1.00 0.00 H new ATOM 0 HB THR A 60 7.002 -0.477 -5.781 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.763 -0.458 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.824 -2.506 -6.540 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.842 -2.380 -4.765 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.364 -1.978 -5.671 1.00 0.00 H new ATOM 887 N ILE A 61 5.244 -1.104 -2.647 1.00 0.00 N ATOM 888 CA ILE A 61 5.698 -1.720 -1.406 1.00 0.00 C ATOM 889 C ILE A 61 5.821 -3.232 -1.556 1.00 0.00 C ATOM 890 O ILE A 61 4.867 -3.908 -1.937 1.00 0.00 O ATOM 891 CB ILE A 61 4.744 -1.406 -0.239 1.00 0.00 C ATOM 892 CG1 ILE A 61 4.670 0.104 -0.003 1.00 0.00 C ATOM 893 CG2 ILE A 61 5.197 -2.124 1.023 1.00 0.00 C ATOM 894 CD1 ILE A 61 3.744 0.494 1.128 1.00 0.00 C ATOM 0 H ILE A 61 4.314 -1.397 -2.948 1.00 0.00 H new ATOM 0 HA ILE A 61 6.679 -1.299 -1.185 1.00 0.00 H new ATOM 0 HB ILE A 61 3.747 -1.763 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.671 0.480 0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.336 0.591 -0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.513 -1.892 1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.202 -3.200 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.202 -1.795 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.741 1.578 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.734 0.149 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.089 0.036 2.055 1.00 0.00 H new ATOM 906 N ASN A 62 7.003 -3.758 -1.250 1.00 0.00 N ATOM 907 CA ASN A 62 7.251 -5.191 -1.350 1.00 0.00 C ATOM 908 C ASN A 62 7.130 -5.860 0.016 1.00 0.00 C ATOM 909 O ASN A 62 7.926 -5.600 0.919 1.00 0.00 O ATOM 910 CB ASN A 62 8.641 -5.450 -1.935 1.00 0.00 C ATOM 911 CG ASN A 62 8.784 -4.909 -3.344 1.00 0.00 C ATOM 912 OD1 ASN A 62 9.846 -4.147 -3.580 1.00 0.00 O flip ATOM 913 ND2 ASN A 62 7.950 -5.172 -4.211 1.00 0.00 N flip ATOM 0 H ASN A 62 7.804 -3.213 -0.931 1.00 0.00 H new ATOM 0 HA ASN A 62 6.499 -5.619 -2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.394 -4.991 -1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.837 -6.522 -1.939 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.149 -5.762 -3.986 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.060 -4.800 -5.154 1.00 0.00 H new ATOM 920 N MET A 63 6.130 -6.723 0.160 1.00 0.00 N ATOM 921 CA MET A 63 5.906 -7.430 1.416 1.00 0.00 C ATOM 922 C MET A 63 6.098 -8.933 1.235 1.00 0.00 C ATOM 923 O MET A 63 5.530 -9.536 0.326 1.00 0.00 O ATOM 924 CB MET A 63 4.498 -7.145 1.942 1.00 0.00 C ATOM 925 CG MET A 63 4.278 -5.692 2.331 1.00 0.00 C ATOM 926 SD MET A 63 2.544 -5.205 2.245 1.00 0.00 S ATOM 927 CE MET A 63 1.810 -6.355 3.404 1.00 0.00 C ATOM 0 H MET A 63 5.462 -6.950 -0.577 1.00 0.00 H new ATOM 0 HA MET A 63 6.637 -7.072 2.141 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.771 -7.423 1.179 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.308 -7.778 2.809 1.00 0.00 H new ATOM 0 HG2 MET A 63 4.647 -5.531 3.344 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.865 -5.051 1.673 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.735 -6.406 3.234 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.247 -7.343 3.262 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.001 -6.017 4.422 1.00 0.00 H new ATOM 937 N ASN A 64 6.904 -9.530 2.106 1.00 0.00 N ATOM 938 CA ASN A 64 7.172 -10.963 2.042 1.00 0.00 C ATOM 939 C ASN A 64 6.276 -11.728 3.010 1.00 0.00 C ATOM 940 O ASN A 64 6.281 -11.470 4.214 1.00 0.00 O ATOM 941 CB ASN A 64 8.642 -11.242 2.360 1.00 0.00 C ATOM 942 CG ASN A 64 9.542 -11.051 1.154 1.00 0.00 C ATOM 943 OD1 ASN A 64 9.754 -9.929 0.696 1.00 0.00 O ATOM 944 ND2 ASN A 64 10.075 -12.151 0.634 1.00 0.00 N ATOM 0 H ASN A 64 7.383 -9.045 2.864 1.00 0.00 H new ATOM 0 HA ASN A 64 6.955 -11.303 1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.969 -10.580 3.162 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.744 -12.263 2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.688 -12.086 -0.179 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.871 -13.061 1.047 1.00 0.00 H new ATOM 951 N LEU A 65 5.508 -12.672 2.476 1.00 0.00 N ATOM 952 CA LEU A 65 4.606 -13.476 3.293 1.00 0.00 C ATOM 953 C LEU A 65 4.507 -14.900 2.754 1.00 0.00 C ATOM 954 O LEU A 65 4.807 -15.154 1.587 1.00 0.00 O ATOM 955 CB LEU A 65 3.217 -12.837 3.335 1.00 0.00 C ATOM 956 CG LEU A 65 3.182 -11.311 3.424 1.00 0.00 C ATOM 957 CD1 LEU A 65 1.912 -10.767 2.788 1.00 0.00 C ATOM 958 CD2 LEU A 65 3.291 -10.859 4.873 1.00 0.00 C ATOM 0 H LEU A 65 5.492 -12.899 1.482 1.00 0.00 H new ATOM 0 HA LEU A 65 5.011 -13.517 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.672 -13.141 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.678 -13.243 4.191 1.00 0.00 H new ATOM 0 HG LEU A 65 4.036 -10.915 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.905 -9.679 2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.876 -11.060 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.043 -11.171 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.264 -9.770 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.457 -11.266 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.230 -11.217 5.296 1.00 0.00 H new ATOM 970 N ASP A 66 4.082 -15.823 3.610 1.00 0.00 N ATOM 971 CA ASP A 66 3.940 -17.220 3.218 1.00 0.00 C ATOM 972 C ASP A 66 2.556 -17.483 2.634 1.00 0.00 C ATOM 973 O ASP A 66 1.540 -17.141 3.240 1.00 0.00 O ATOM 974 CB ASP A 66 4.183 -18.136 4.420 1.00 0.00 C ATOM 975 CG ASP A 66 3.645 -19.536 4.199 1.00 0.00 C ATOM 976 OD1 ASP A 66 2.407 -19.697 4.162 1.00 0.00 O ATOM 977 OD2 ASP A 66 4.462 -20.470 4.062 1.00 0.00 O ATOM 0 H ASP A 66 3.830 -15.629 4.579 1.00 0.00 H new ATOM 0 HA ASP A 66 4.684 -17.434 2.451 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.253 -18.189 4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.712 -17.704 5.303 1.00 0.00 H new ATOM 982 N VAL A 67 2.523 -18.092 1.453 1.00 0.00 N ATOM 983 CA VAL A 67 1.264 -18.401 0.787 1.00 0.00 C ATOM 984 C VAL A 67 0.925 -19.882 0.912 1.00 0.00 C ATOM 985 O VAL A 67 -0.195 -20.245 1.271 1.00 0.00 O ATOM 986 CB VAL A 67 1.310 -18.020 -0.705 1.00 0.00 C ATOM 987 CG1 VAL A 67 1.434 -16.513 -0.868 1.00 0.00 C ATOM 988 CG2 VAL A 67 2.457 -18.736 -1.402 1.00 0.00 C ATOM 0 H VAL A 67 3.354 -18.381 0.938 1.00 0.00 H new ATOM 0 HA VAL A 67 0.492 -17.812 1.281 1.00 0.00 H new ATOM 0 HB VAL A 67 0.377 -18.336 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.465 -16.263 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.576 -16.025 -0.405 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.350 -16.169 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.475 -18.455 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.400 -18.453 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.319 -19.814 -1.316 1.00 0.00 H new ATOM 998 N SER A 68 1.900 -20.734 0.612 1.00 0.00 N ATOM 999 CA SER A 68 1.704 -22.177 0.687 1.00 0.00 C ATOM 1000 C SER A 68 3.011 -22.917 0.420 1.00 0.00 C ATOM 1001 O SER A 68 4.033 -22.304 0.110 1.00 0.00 O ATOM 1002 CB SER A 68 0.639 -22.622 -0.317 1.00 0.00 C ATOM 1003 OG SER A 68 -0.028 -23.789 0.131 1.00 0.00 O ATOM 0 H SER A 68 2.833 -20.450 0.315 1.00 0.00 H new ATOM 0 HA SER A 68 1.367 -22.421 1.695 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.084 -21.820 -0.464 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.104 -22.814 -1.284 1.00 0.00 H new ATOM 0 HG SER A 68 -0.705 -24.052 -0.527 1.00 0.00 H new ATOM 1009 N ASP A 69 2.971 -24.239 0.544 1.00 0.00 N ATOM 1010 CA ASP A 69 4.151 -25.065 0.315 1.00 0.00 C ATOM 1011 C ASP A 69 5.363 -24.494 1.044 1.00 0.00 C ATOM 1012 O ASP A 69 6.439 -24.352 0.463 1.00 0.00 O ATOM 1013 CB ASP A 69 4.444 -25.170 -1.182 1.00 0.00 C ATOM 1014 CG ASP A 69 3.441 -26.045 -1.908 1.00 0.00 C ATOM 1015 OD1 ASP A 69 2.338 -25.550 -2.220 1.00 0.00 O ATOM 1016 OD2 ASP A 69 3.758 -27.226 -2.163 1.00 0.00 O ATOM 0 H ASP A 69 2.134 -24.762 0.802 1.00 0.00 H new ATOM 0 HA ASP A 69 3.949 -26.061 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.437 -24.173 -1.622 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.446 -25.575 -1.326 1.00 0.00 H new ATOM 1021 N GLU A 70 5.181 -24.167 2.320 1.00 0.00 N ATOM 1022 CA GLU A 70 6.260 -23.609 3.127 1.00 0.00 C ATOM 1023 C GLU A 70 7.082 -22.609 2.319 1.00 0.00 C ATOM 1024 O GLU A 70 8.261 -22.388 2.597 1.00 0.00 O ATOM 1025 CB GLU A 70 7.166 -24.726 3.649 1.00 0.00 C ATOM 1026 CG GLU A 70 7.914 -24.360 4.919 1.00 0.00 C ATOM 1027 CD GLU A 70 9.150 -25.211 5.135 1.00 0.00 C ATOM 1028 OE1 GLU A 70 9.901 -25.423 4.160 1.00 0.00 O ATOM 1029 OE2 GLU A 70 9.367 -25.664 6.278 1.00 0.00 O ATOM 0 H GLU A 70 4.297 -24.279 2.817 1.00 0.00 H new ATOM 0 HA GLU A 70 5.814 -23.087 3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.562 -25.614 3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.888 -24.988 2.875 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.204 -23.310 4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.247 -24.472 5.774 1.00 0.00 H new ATOM 1036 N LYS A 71 6.451 -22.005 1.318 1.00 0.00 N ATOM 1037 CA LYS A 71 7.121 -21.027 0.469 1.00 0.00 C ATOM 1038 C LYS A 71 6.540 -19.633 0.682 1.00 0.00 C ATOM 1039 O LYS A 71 5.470 -19.480 1.271 1.00 0.00 O ATOM 1040 CB LYS A 71 6.991 -21.425 -1.003 1.00 0.00 C ATOM 1041 CG LYS A 71 8.093 -22.356 -1.480 1.00 0.00 C ATOM 1042 CD LYS A 71 8.224 -22.334 -2.994 1.00 0.00 C ATOM 1043 CE LYS A 71 7.192 -23.234 -3.656 1.00 0.00 C ATOM 1044 NZ LYS A 71 7.576 -24.671 -3.577 1.00 0.00 N ATOM 0 H LYS A 71 5.475 -22.176 1.075 1.00 0.00 H new ATOM 0 HA LYS A 71 8.176 -21.008 0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.026 -21.909 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.997 -20.524 -1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.040 -22.062 -1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.882 -23.372 -1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.103 -21.313 -3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.226 -22.657 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.224 -23.090 -3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.076 -22.946 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.873 -25.246 -4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.511 -24.805 -4.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.612 -24.966 -2.580 1.00 0.00 H new ATOM 1058 N MET A 72 7.251 -18.620 0.199 1.00 0.00 N ATOM 1059 CA MET A 72 6.804 -17.239 0.335 1.00 0.00 C ATOM 1060 C MET A 72 6.719 -16.558 -1.028 1.00 0.00 C ATOM 1061 O MET A 72 6.906 -17.196 -2.063 1.00 0.00 O ATOM 1062 CB MET A 72 7.752 -16.460 1.248 1.00 0.00 C ATOM 1063 CG MET A 72 8.549 -17.346 2.192 1.00 0.00 C ATOM 1064 SD MET A 72 9.595 -16.399 3.315 1.00 0.00 S ATOM 1065 CE MET A 72 8.568 -14.960 3.602 1.00 0.00 C ATOM 0 H MET A 72 8.139 -18.729 -0.290 1.00 0.00 H new ATOM 0 HA MET A 72 5.809 -17.249 0.780 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.443 -15.883 0.634 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.174 -15.746 1.834 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.862 -17.961 2.773 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.170 -18.026 1.609 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.030 -14.329 4.361 1.00 0.00 H new ATOM 0 HE2 MET A 72 8.464 -14.396 2.675 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.584 -15.278 3.945 1.00 0.00 H new ATOM 1075 N ALA A 73 6.435 -15.260 -1.019 1.00 0.00 N ATOM 1076 CA ALA A 73 6.327 -14.493 -2.254 1.00 0.00 C ATOM 1077 C ALA A 73 6.343 -12.995 -1.973 1.00 0.00 C ATOM 1078 O ALA A 73 6.259 -12.569 -0.822 1.00 0.00 O ATOM 1079 CB ALA A 73 5.060 -14.878 -3.005 1.00 0.00 C ATOM 0 H ALA A 73 6.276 -14.717 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 73 7.191 -14.728 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.992 -14.298 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.089 -15.940 -3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.190 -14.672 -2.381 1.00 0.00 H new ATOM 1085 N MET A 74 6.453 -12.200 -3.033 1.00 0.00 N ATOM 1086 CA MET A 74 6.480 -10.748 -2.899 1.00 0.00 C ATOM 1087 C MET A 74 5.161 -10.135 -3.360 1.00 0.00 C ATOM 1088 O MET A 74 4.729 -10.348 -4.493 1.00 0.00 O ATOM 1089 CB MET A 74 7.639 -10.161 -3.707 1.00 0.00 C ATOM 1090 CG MET A 74 8.942 -10.078 -2.929 1.00 0.00 C ATOM 1091 SD MET A 74 10.300 -9.423 -3.917 1.00 0.00 S ATOM 1092 CE MET A 74 9.775 -7.724 -4.131 1.00 0.00 C ATOM 0 H MET A 74 6.525 -12.537 -3.993 1.00 0.00 H new ATOM 0 HA MET A 74 6.623 -10.508 -1.845 1.00 0.00 H new ATOM 0 HB2 MET A 74 7.795 -10.770 -4.597 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.365 -9.163 -4.048 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.798 -9.446 -2.053 1.00 0.00 H new ATOM 0 HG3 MET A 74 9.208 -11.071 -2.566 1.00 0.00 H new ATOM 0 HE1 MET A 74 9.847 -7.451 -5.184 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.742 -7.618 -3.799 1.00 0.00 H new ATOM 0 HE3 MET A 74 10.415 -7.068 -3.541 1.00 0.00 H new ATOM 1102 N PHE A 75 4.527 -9.373 -2.475 1.00 0.00 N ATOM 1103 CA PHE A 75 3.256 -8.731 -2.791 1.00 0.00 C ATOM 1104 C PHE A 75 3.463 -7.258 -3.134 1.00 0.00 C ATOM 1105 O PHE A 75 3.697 -6.431 -2.252 1.00 0.00 O ATOM 1106 CB PHE A 75 2.287 -8.861 -1.614 1.00 0.00 C ATOM 1107 CG PHE A 75 1.465 -10.118 -1.652 1.00 0.00 C ATOM 1108 CD1 PHE A 75 2.054 -11.354 -1.438 1.00 0.00 C ATOM 1109 CD2 PHE A 75 0.103 -10.063 -1.900 1.00 0.00 C ATOM 1110 CE1 PHE A 75 1.300 -12.512 -1.472 1.00 0.00 C ATOM 1111 CE2 PHE A 75 -0.656 -11.217 -1.934 1.00 0.00 C ATOM 1112 CZ PHE A 75 -0.056 -12.443 -1.721 1.00 0.00 C ATOM 0 H PHE A 75 4.872 -9.185 -1.534 1.00 0.00 H new ATOM 0 HA PHE A 75 2.830 -9.233 -3.660 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.853 -8.834 -0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.619 -7.999 -1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.114 -11.413 -1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.371 -9.107 -2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.771 -13.469 -1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.717 -11.161 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.647 -13.346 -1.749 1.00 0.00 H new ATOM 1122 N SER A 76 3.373 -6.938 -4.421 1.00 0.00 N ATOM 1123 CA SER A 76 3.554 -5.566 -4.881 1.00 0.00 C ATOM 1124 C SER A 76 2.268 -4.763 -4.716 1.00 0.00 C ATOM 1125 O SER A 76 1.231 -5.105 -5.286 1.00 0.00 O ATOM 1126 CB SER A 76 3.993 -5.552 -6.347 1.00 0.00 C ATOM 1127 OG SER A 76 5.183 -6.298 -6.530 1.00 0.00 O ATOM 0 H SER A 76 3.176 -7.609 -5.163 1.00 0.00 H new ATOM 0 HA SER A 76 4.330 -5.104 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.201 -5.966 -6.971 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.151 -4.524 -6.673 1.00 0.00 H new ATOM 0 HG SER A 76 5.441 -6.275 -7.475 1.00 0.00 H new ATOM 1133 N LEU A 77 2.342 -3.694 -3.931 1.00 0.00 N ATOM 1134 CA LEU A 77 1.184 -2.841 -3.689 1.00 0.00 C ATOM 1135 C LEU A 77 1.395 -1.453 -4.287 1.00 0.00 C ATOM 1136 O LEU A 77 1.966 -0.571 -3.647 1.00 0.00 O ATOM 1137 CB LEU A 77 0.916 -2.725 -2.187 1.00 0.00 C ATOM 1138 CG LEU A 77 -0.021 -3.776 -1.590 1.00 0.00 C ATOM 1139 CD1 LEU A 77 0.726 -5.077 -1.340 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -0.647 -3.262 -0.302 1.00 0.00 C ATOM 0 H LEU A 77 3.192 -3.397 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 77 0.320 -3.298 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.870 -2.778 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.497 -1.739 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.820 -3.972 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.043 -5.813 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.126 -5.454 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.545 -4.898 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.311 -4.023 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.138 -3.037 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.218 -2.357 -0.511 1.00 0.00 H new ATOM 1152 N ALA A 78 0.929 -1.268 -5.518 1.00 0.00 N ATOM 1153 CA ALA A 78 1.063 0.012 -6.201 1.00 0.00 C ATOM 1154 C ALA A 78 0.089 1.041 -5.635 1.00 0.00 C ATOM 1155 O ALA A 78 -1.073 1.097 -6.040 1.00 0.00 O ATOM 1156 CB ALA A 78 0.841 -0.161 -7.696 1.00 0.00 C ATOM 0 H ALA A 78 0.455 -1.989 -6.062 1.00 0.00 H new ATOM 0 HA ALA A 78 2.076 0.379 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.944 0.804 -8.193 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.580 -0.856 -8.095 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.160 -0.555 -7.872 1.00 0.00 H new ATOM 1162 N CYS A 79 0.569 1.850 -4.698 1.00 0.00 N ATOM 1163 CA CYS A 79 -0.261 2.876 -4.075 1.00 0.00 C ATOM 1164 C CYS A 79 -0.100 4.213 -4.791 1.00 0.00 C ATOM 1165 O CYS A 79 1.017 4.687 -4.998 1.00 0.00 O ATOM 1166 CB CYS A 79 0.102 3.027 -2.598 1.00 0.00 C ATOM 1167 SG CYS A 79 -1.019 4.099 -1.668 1.00 0.00 S ATOM 0 H CYS A 79 1.528 1.816 -4.352 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.303 2.565 -4.155 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.112 2.040 -2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.114 3.425 -2.522 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.340 5.059 -1.113 1.00 0.00 H new ATOM 1173 N ILE A 80 -1.223 4.815 -5.168 1.00 0.00 N ATOM 1174 CA ILE A 80 -1.206 6.097 -5.861 1.00 0.00 C ATOM 1175 C ILE A 80 -2.128 7.103 -5.179 1.00 0.00 C ATOM 1176 O ILE A 80 -3.352 6.979 -5.238 1.00 0.00 O ATOM 1177 CB ILE A 80 -1.629 5.947 -7.334 1.00 0.00 C ATOM 1178 CG1 ILE A 80 -0.551 5.202 -8.123 1.00 0.00 C ATOM 1179 CG2 ILE A 80 -1.897 7.312 -7.950 1.00 0.00 C ATOM 1180 CD1 ILE A 80 -0.950 4.893 -9.549 1.00 0.00 C ATOM 0 H ILE A 80 -2.156 4.436 -5.005 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.180 6.463 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.550 5.365 -7.375 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.360 5.800 -8.131 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.316 4.269 -7.610 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.195 7.189 -8.991 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.696 7.809 -7.400 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.992 7.917 -7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.138 4.364 -10.048 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.844 4.269 -9.550 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.157 5.823 -10.079 1.00 0.00 H new ATOM 1192 N LEU A 81 -1.533 8.099 -4.533 1.00 0.00 N ATOM 1193 CA LEU A 81 -2.301 9.129 -3.841 1.00 0.00 C ATOM 1194 C LEU A 81 -2.765 10.208 -4.814 1.00 0.00 C ATOM 1195 O LEU A 81 -1.963 10.882 -5.461 1.00 0.00 O ATOM 1196 CB LEU A 81 -1.461 9.757 -2.728 1.00 0.00 C ATOM 1197 CG LEU A 81 -0.814 8.782 -1.743 1.00 0.00 C ATOM 1198 CD1 LEU A 81 0.305 9.466 -0.972 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -1.856 8.220 -0.788 1.00 0.00 C ATOM 0 H LEU A 81 -0.521 8.216 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.181 8.659 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.673 10.354 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.094 10.443 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.385 7.955 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.754 8.757 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.064 9.820 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.100 10.312 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.378 7.528 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.315 9.036 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.623 7.693 -1.355 1.00 0.00 H new ATOM 1211 N PRO A 82 -4.091 10.380 -4.919 1.00 0.00 N ATOM 1212 CA PRO A 82 -4.693 11.378 -5.808 1.00 0.00 C ATOM 1213 C PRO A 82 -4.448 12.804 -5.328 1.00 0.00 C ATOM 1214 O PRO A 82 -3.707 13.029 -4.370 1.00 0.00 O ATOM 1215 CB PRO A 82 -6.186 11.045 -5.756 1.00 0.00 C ATOM 1216 CG PRO A 82 -6.378 10.369 -4.443 1.00 0.00 C ATOM 1217 CD PRO A 82 -5.106 9.612 -4.177 1.00 0.00 C ATOM 0 HA PRO A 82 -4.269 11.339 -6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.795 11.946 -5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.476 10.395 -6.582 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.572 11.096 -3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.234 9.695 -4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.879 9.570 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.169 8.583 -4.531 1.00 0.00 H new ATOM 1225 N PHE A 83 -5.074 13.765 -5.999 1.00 0.00 N ATOM 1226 CA PHE A 83 -4.923 15.171 -5.641 1.00 0.00 C ATOM 1227 C PHE A 83 -5.975 15.587 -4.617 1.00 0.00 C ATOM 1228 O PHE A 83 -6.062 16.755 -4.238 1.00 0.00 O ATOM 1229 CB PHE A 83 -5.032 16.051 -6.887 1.00 0.00 C ATOM 1230 CG PHE A 83 -3.773 16.091 -7.705 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -2.916 15.002 -7.735 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -3.447 17.216 -8.445 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -1.756 15.036 -8.486 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -2.289 17.255 -9.199 1.00 0.00 C ATOM 1235 CZ PHE A 83 -1.443 16.164 -9.220 1.00 0.00 C ATOM 0 H PHE A 83 -5.691 13.596 -6.794 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.936 15.303 -5.197 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.849 15.686 -7.510 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -5.291 17.065 -6.584 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.157 14.117 -7.165 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.105 18.072 -8.433 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.095 14.182 -8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.046 18.138 -9.771 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.538 16.192 -9.809 1.00 0.00 H new ATOM 1245 N LYS A 84 -6.773 14.622 -4.172 1.00 0.00 N ATOM 1246 CA LYS A 84 -7.820 14.886 -3.191 1.00 0.00 C ATOM 1247 C LYS A 84 -7.374 14.467 -1.794 1.00 0.00 C ATOM 1248 O LYS A 84 -7.529 15.219 -0.831 1.00 0.00 O ATOM 1249 CB LYS A 84 -9.103 14.144 -3.573 1.00 0.00 C ATOM 1250 CG LYS A 84 -9.370 14.119 -5.068 1.00 0.00 C ATOM 1251 CD LYS A 84 -10.213 15.306 -5.503 1.00 0.00 C ATOM 1252 CE LYS A 84 -10.678 15.161 -6.944 1.00 0.00 C ATOM 1253 NZ LYS A 84 -11.702 14.089 -7.090 1.00 0.00 N ATOM 0 H LYS A 84 -6.715 13.650 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.016 15.958 -3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.043 13.119 -3.206 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.948 14.614 -3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.423 14.126 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.880 13.193 -5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.079 15.398 -4.848 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.634 16.223 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.092 16.108 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.823 14.936 -7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.164 14.174 -8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.244 13.158 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.415 14.185 -6.339 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.819 13.265 -1.691 1.00 0.00 N ATOM 1268 CA TYR A 85 -6.351 12.747 -0.411 1.00 0.00 C ATOM 1269 C TYR A 85 -5.955 13.884 0.526 1.00 0.00 C ATOM 1270 O TYR A 85 -5.373 14.888 0.114 1.00 0.00 O ATOM 1271 CB TYR A 85 -5.163 11.807 -0.620 1.00 0.00 C ATOM 1272 CG TYR A 85 -5.108 10.669 0.374 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -6.230 9.890 0.630 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -3.935 10.373 1.057 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -6.185 8.849 1.538 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -3.881 9.333 1.965 1.00 0.00 C ATOM 1277 CZ TYR A 85 -5.008 8.575 2.202 1.00 0.00 C ATOM 1278 OH TYR A 85 -4.958 7.539 3.107 1.00 0.00 O ATOM 0 H TYR A 85 -6.682 12.631 -2.478 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.169 12.191 0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.209 11.395 -1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.239 12.382 -0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.153 10.102 0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -3.051 10.966 0.875 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.066 8.254 1.726 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.961 9.115 2.486 1.00 0.00 H new ATOM 0 HH TYR A 85 -4.056 7.479 3.486 1.00 0.00 H new ATOM 1288 N PRO A 86 -6.276 13.724 1.818 1.00 0.00 N ATOM 1289 CA PRO A 86 -6.969 12.534 2.320 1.00 0.00 C ATOM 1290 C PRO A 86 -8.418 12.465 1.850 1.00 0.00 C ATOM 1291 O PRO A 86 -9.105 11.468 2.070 1.00 0.00 O ATOM 1292 CB PRO A 86 -6.908 12.703 3.840 1.00 0.00 C ATOM 1293 CG PRO A 86 -6.783 14.172 4.054 1.00 0.00 C ATOM 1294 CD PRO A 86 -5.989 14.694 2.889 1.00 0.00 C ATOM 0 HA PRO A 86 -6.510 11.613 1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.804 12.308 4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.058 12.168 4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.764 14.644 4.101 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.280 14.388 4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.298 15.702 2.612 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.924 14.738 3.116 1.00 0.00 H new ATOM 1302 N ALA A 87 -8.876 13.530 1.201 1.00 0.00 N ATOM 1303 CA ALA A 87 -10.242 13.589 0.697 1.00 0.00 C ATOM 1304 C ALA A 87 -10.708 12.221 0.211 1.00 0.00 C ATOM 1305 O ALA A 87 -11.479 11.540 0.887 1.00 0.00 O ATOM 1306 CB ALA A 87 -10.349 14.613 -0.423 1.00 0.00 C ATOM 0 H ALA A 87 -8.320 14.364 1.012 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.891 13.895 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.375 14.646 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.067 15.596 -0.046 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.682 14.332 -1.238 1.00 0.00 H new ATOM 1312 N VAL A 88 -10.234 11.823 -0.966 1.00 0.00 N ATOM 1313 CA VAL A 88 -10.601 10.536 -1.542 1.00 0.00 C ATOM 1314 C VAL A 88 -9.486 9.513 -1.357 1.00 0.00 C ATOM 1315 O VAL A 88 -8.323 9.784 -1.659 1.00 0.00 O ATOM 1316 CB VAL A 88 -10.922 10.664 -3.043 1.00 0.00 C ATOM 1317 CG1 VAL A 88 -11.779 11.893 -3.304 1.00 0.00 C ATOM 1318 CG2 VAL A 88 -9.639 10.716 -3.859 1.00 0.00 C ATOM 0 H VAL A 88 -9.595 12.374 -1.539 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.493 10.196 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.487 9.785 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.995 11.966 -4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.713 11.809 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.243 12.785 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.884 10.806 -4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.045 11.576 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.067 9.803 -3.696 1.00 0.00 H new ATOM 1328 N LEU A 89 -9.848 8.335 -0.860 1.00 0.00 N ATOM 1329 CA LEU A 89 -8.878 7.269 -0.634 1.00 0.00 C ATOM 1330 C LEU A 89 -7.944 7.121 -1.831 1.00 0.00 C ATOM 1331 O LEU A 89 -8.261 7.523 -2.951 1.00 0.00 O ATOM 1332 CB LEU A 89 -9.597 5.946 -0.367 1.00 0.00 C ATOM 1333 CG LEU A 89 -10.178 5.769 1.036 1.00 0.00 C ATOM 1334 CD1 LEU A 89 -9.115 5.248 1.991 1.00 0.00 C ATOM 1335 CD2 LEU A 89 -10.757 7.081 1.544 1.00 0.00 C ATOM 0 H LEU A 89 -10.806 8.094 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.281 7.533 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.407 5.843 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.898 5.131 -0.554 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.983 5.036 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.546 5.128 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.748 4.285 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.288 5.957 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.166 6.935 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.971 7.836 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.549 7.413 0.873 1.00 0.00 H new ATOM 1347 N PRO A 90 -6.764 6.528 -1.592 1.00 0.00 N ATOM 1348 CA PRO A 90 -5.761 6.311 -2.639 1.00 0.00 C ATOM 1349 C PRO A 90 -6.198 5.255 -3.649 1.00 0.00 C ATOM 1350 O PRO A 90 -7.370 4.887 -3.708 1.00 0.00 O ATOM 1351 CB PRO A 90 -4.535 5.830 -1.859 1.00 0.00 C ATOM 1352 CG PRO A 90 -5.089 5.228 -0.614 1.00 0.00 C ATOM 1353 CD PRO A 90 -6.320 6.025 -0.282 1.00 0.00 C ATOM 0 HA PRO A 90 -5.583 7.211 -3.228 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.963 5.099 -2.431 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.861 6.656 -1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.333 4.176 -0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.363 5.274 0.198 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.083 5.407 0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.098 6.840 0.407 1.00 0.00 H new ATOM 1361 N GLU A 91 -5.246 4.773 -4.443 1.00 0.00 N ATOM 1362 CA GLU A 91 -5.534 3.760 -5.451 1.00 0.00 C ATOM 1363 C GLU A 91 -4.505 2.635 -5.402 1.00 0.00 C ATOM 1364 O GLU A 91 -3.707 2.469 -6.325 1.00 0.00 O ATOM 1365 CB GLU A 91 -5.553 4.389 -6.846 1.00 0.00 C ATOM 1366 CG GLU A 91 -6.480 5.587 -6.962 1.00 0.00 C ATOM 1367 CD GLU A 91 -7.012 5.779 -8.369 1.00 0.00 C ATOM 1368 OE1 GLU A 91 -7.680 4.857 -8.881 1.00 0.00 O ATOM 1369 OE2 GLU A 91 -6.760 6.851 -8.958 1.00 0.00 O ATOM 0 H GLU A 91 -4.270 5.068 -4.407 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.516 3.339 -5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.541 4.697 -7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.856 3.634 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.317 5.462 -6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.946 6.486 -6.654 1.00 0.00 H new ATOM 1376 N ILE A 92 -4.529 1.866 -4.319 1.00 0.00 N ATOM 1377 CA ILE A 92 -3.599 0.757 -4.149 1.00 0.00 C ATOM 1378 C ILE A 92 -3.998 -0.433 -5.015 1.00 0.00 C ATOM 1379 O ILE A 92 -5.107 -0.956 -4.898 1.00 0.00 O ATOM 1380 CB ILE A 92 -3.524 0.305 -2.678 1.00 0.00 C ATOM 1381 CG1 ILE A 92 -3.131 1.480 -1.780 1.00 0.00 C ATOM 1382 CG2 ILE A 92 -2.533 -0.839 -2.526 1.00 0.00 C ATOM 1383 CD1 ILE A 92 -3.533 1.296 -0.334 1.00 0.00 C ATOM 0 H ILE A 92 -5.183 1.991 -3.546 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.618 1.117 -4.460 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.508 -0.049 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.052 1.622 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.592 2.390 -2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.491 -1.148 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.852 -1.681 -3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.545 -0.509 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.223 2.167 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.615 1.184 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.051 0.404 0.067 1.00 0.00 H new ATOM 1395 N THR A 93 -3.086 -0.858 -5.884 1.00 0.00 N ATOM 1396 CA THR A 93 -3.342 -1.987 -6.770 1.00 0.00 C ATOM 1397 C THR A 93 -2.464 -3.179 -6.409 1.00 0.00 C ATOM 1398 O THR A 93 -1.289 -3.231 -6.774 1.00 0.00 O ATOM 1399 CB THR A 93 -3.098 -1.611 -8.244 1.00 0.00 C ATOM 1400 OG1 THR A 93 -3.969 -0.541 -8.627 1.00 0.00 O ATOM 1401 CG2 THR A 93 -3.328 -2.809 -9.152 1.00 0.00 C ATOM 0 H THR A 93 -2.163 -0.437 -5.993 1.00 0.00 H new ATOM 0 HA THR A 93 -4.390 -2.259 -6.641 1.00 0.00 H new ATOM 0 HB THR A 93 -2.062 -1.290 -8.348 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.807 -0.307 -9.565 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.150 -2.520 -10.188 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.643 -3.611 -8.876 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.356 -3.156 -9.044 1.00 0.00 H new ATOM 1409 N VAL A 94 -3.041 -4.137 -5.690 1.00 0.00 N ATOM 1410 CA VAL A 94 -2.310 -5.331 -5.281 1.00 0.00 C ATOM 1411 C VAL A 94 -2.087 -6.270 -6.462 1.00 0.00 C ATOM 1412 O VAL A 94 -3.021 -6.596 -7.194 1.00 0.00 O ATOM 1413 CB VAL A 94 -3.056 -6.091 -4.168 1.00 0.00 C ATOM 1414 CG1 VAL A 94 -2.219 -7.258 -3.666 1.00 0.00 C ATOM 1415 CG2 VAL A 94 -3.413 -5.150 -3.028 1.00 0.00 C ATOM 0 H VAL A 94 -4.012 -4.110 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.345 -4.997 -4.899 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.982 -6.491 -4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.762 -7.783 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.019 -7.943 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.276 -6.884 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.940 -5.704 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.502 -4.719 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.054 -4.352 -3.402 1.00 0.00 H new ATOM 1425 N ARG A 95 -0.842 -6.701 -6.640 1.00 0.00 N ATOM 1426 CA ARG A 95 -0.495 -7.602 -7.732 1.00 0.00 C ATOM 1427 C ARG A 95 0.467 -8.687 -7.257 1.00 0.00 C ATOM 1428 O ARG A 95 1.364 -8.427 -6.455 1.00 0.00 O ATOM 1429 CB ARG A 95 0.131 -6.819 -8.888 1.00 0.00 C ATOM 1430 CG ARG A 95 -0.790 -5.765 -9.480 1.00 0.00 C ATOM 1431 CD ARG A 95 -0.316 -5.321 -10.855 1.00 0.00 C ATOM 1432 NE ARG A 95 -1.240 -4.374 -11.473 1.00 0.00 N ATOM 1433 CZ ARG A 95 -2.402 -4.725 -12.012 1.00 0.00 C ATOM 1434 NH1 ARG A 95 -2.780 -5.996 -12.010 1.00 0.00 N ATOM 1435 NH2 ARG A 95 -3.189 -3.805 -12.555 1.00 0.00 N ATOM 0 H ARG A 95 -0.058 -6.441 -6.042 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.410 -8.080 -8.080 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.043 -6.336 -8.537 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.422 -7.517 -9.673 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.802 -6.164 -9.554 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.835 -4.904 -8.814 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.669 -4.862 -10.768 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.206 -6.193 -11.500 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.978 -3.388 -11.492 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.178 -6.706 -11.594 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.673 -6.263 -12.425 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -2.902 -2.826 -12.559 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.081 -4.077 -12.968 1.00 0.00 H new ATOM 1449 N SER A 96 0.273 -9.903 -7.758 1.00 0.00 N ATOM 1450 CA SER A 96 1.121 -11.028 -7.382 1.00 0.00 C ATOM 1451 C SER A 96 1.172 -12.066 -8.498 1.00 0.00 C ATOM 1452 O SER A 96 0.159 -12.367 -9.129 1.00 0.00 O ATOM 1453 CB SER A 96 0.606 -11.673 -6.094 1.00 0.00 C ATOM 1454 OG SER A 96 1.366 -12.822 -5.760 1.00 0.00 O ATOM 0 H SER A 96 -0.463 -10.134 -8.425 1.00 0.00 H new ATOM 0 HA SER A 96 2.130 -10.651 -7.214 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.654 -10.952 -5.278 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.442 -11.949 -6.215 1.00 0.00 H new ATOM 0 HG SER A 96 1.018 -13.215 -4.932 1.00 0.00 H new ATOM 1460 N VAL A 97 2.361 -12.611 -8.737 1.00 0.00 N ATOM 1461 CA VAL A 97 2.547 -13.617 -9.776 1.00 0.00 C ATOM 1462 C VAL A 97 1.720 -14.865 -9.487 1.00 0.00 C ATOM 1463 O VAL A 97 1.168 -15.483 -10.399 1.00 0.00 O ATOM 1464 CB VAL A 97 4.028 -14.017 -9.913 1.00 0.00 C ATOM 1465 CG1 VAL A 97 4.177 -15.199 -10.858 1.00 0.00 C ATOM 1466 CG2 VAL A 97 4.856 -12.833 -10.390 1.00 0.00 C ATOM 0 H VAL A 97 3.210 -12.372 -8.225 1.00 0.00 H new ATOM 0 HA VAL A 97 2.211 -13.170 -10.712 1.00 0.00 H new ATOM 0 HB VAL A 97 4.398 -14.319 -8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.230 -15.467 -10.942 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.616 -16.049 -10.469 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.792 -14.930 -11.841 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.900 -13.132 -10.482 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.488 -12.499 -11.360 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.774 -12.018 -9.671 1.00 0.00 H new ATOM 1476 N LEU A 98 1.637 -15.231 -8.212 1.00 0.00 N ATOM 1477 CA LEU A 98 0.876 -16.406 -7.802 1.00 0.00 C ATOM 1478 C LEU A 98 -0.617 -16.194 -8.028 1.00 0.00 C ATOM 1479 O LEU A 98 -1.281 -17.010 -8.669 1.00 0.00 O ATOM 1480 CB LEU A 98 1.141 -16.719 -6.328 1.00 0.00 C ATOM 1481 CG LEU A 98 2.599 -16.636 -5.875 1.00 0.00 C ATOM 1482 CD1 LEU A 98 2.696 -16.755 -4.362 1.00 0.00 C ATOM 1483 CD2 LEU A 98 3.430 -17.716 -6.551 1.00 0.00 C ATOM 0 H LEU A 98 2.087 -14.731 -7.445 1.00 0.00 H new ATOM 0 HA LEU A 98 1.200 -17.250 -8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.553 -16.031 -5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.773 -17.724 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 98 2.995 -15.664 -6.168 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.741 -16.694 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.135 -15.945 -3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.282 -17.712 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.465 -17.642 -6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.034 -18.697 -6.289 1.00 0.00 H new ATOM 0 HD23 LEU A 98 3.388 -17.584 -7.632 1.00 0.00 H new ATOM 1495 N LEU A 99 -1.140 -15.093 -7.501 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.555 -14.772 -7.647 1.00 0.00 C ATOM 1497 C LEU A 99 -2.967 -14.783 -9.116 1.00 0.00 C ATOM 1498 O LEU A 99 -2.121 -14.842 -10.008 1.00 0.00 O ATOM 1499 CB LEU A 99 -2.855 -13.403 -7.033 1.00 0.00 C ATOM 1500 CG LEU A 99 -2.934 -13.356 -5.506 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.881 -11.918 -5.013 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.201 -14.042 -5.017 1.00 0.00 C ATOM 0 H LEU A 99 -0.605 -14.407 -6.968 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.130 -15.534 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.085 -12.704 -7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.802 -13.045 -7.437 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.075 -13.890 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.938 -11.904 -3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.946 -11.458 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.721 -11.360 -5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.241 -13.999 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.072 -13.536 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.199 -15.083 -5.339 1.00 0.00 H new ATOM 1514 N SER A 100 -4.273 -14.725 -9.359 1.00 0.00 N ATOM 1515 CA SER A 100 -4.797 -14.730 -10.720 1.00 0.00 C ATOM 1516 C SER A 100 -5.424 -13.383 -11.066 1.00 0.00 C ATOM 1517 O SER A 100 -6.118 -12.780 -10.246 1.00 0.00 O ATOM 1518 CB SER A 100 -5.832 -15.844 -10.886 1.00 0.00 C ATOM 1519 OG SER A 100 -5.931 -16.252 -12.239 1.00 0.00 O ATOM 0 H SER A 100 -4.987 -14.674 -8.632 1.00 0.00 H new ATOM 0 HA SER A 100 -3.966 -14.910 -11.402 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.556 -16.696 -10.265 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.804 -15.496 -10.536 1.00 0.00 H new ATOM 0 HG SER A 100 -6.598 -16.966 -12.317 1.00 0.00 H new ATOM 1525 N ARG A 101 -5.175 -12.917 -12.285 1.00 0.00 N ATOM 1526 CA ARG A 101 -5.713 -11.641 -12.740 1.00 0.00 C ATOM 1527 C ARG A 101 -7.133 -11.433 -12.220 1.00 0.00 C ATOM 1528 O ARG A 101 -7.501 -10.330 -11.816 1.00 0.00 O ATOM 1529 CB ARG A 101 -5.704 -11.575 -14.269 1.00 0.00 C ATOM 1530 CG ARG A 101 -5.872 -10.168 -14.819 1.00 0.00 C ATOM 1531 CD ARG A 101 -6.206 -10.186 -16.302 1.00 0.00 C ATOM 1532 NE ARG A 101 -7.021 -9.039 -16.694 1.00 0.00 N ATOM 1533 CZ ARG A 101 -8.272 -8.853 -16.287 1.00 0.00 C ATOM 1534 NH1 ARG A 101 -8.848 -9.734 -15.481 1.00 0.00 N ATOM 1535 NH2 ARG A 101 -8.949 -7.784 -16.687 1.00 0.00 N ATOM 0 H ARG A 101 -4.604 -13.404 -12.976 1.00 0.00 H new ATOM 0 HA ARG A 101 -5.079 -10.847 -12.345 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.766 -11.990 -14.637 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -6.505 -12.205 -14.656 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.663 -9.655 -14.273 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.955 -9.601 -14.658 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.283 -10.189 -16.881 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.737 -11.107 -16.543 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.607 -8.343 -17.314 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -8.331 -10.557 -15.172 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -9.809 -9.589 -15.170 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -8.509 -7.104 -17.307 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -9.909 -7.642 -16.374 1.00 0.00 H new ATOM 1549 N SER A 102 -7.925 -12.500 -12.235 1.00 0.00 N ATOM 1550 CA SER A 102 -9.305 -12.434 -11.769 1.00 0.00 C ATOM 1551 C SER A 102 -9.361 -12.349 -10.246 1.00 0.00 C ATOM 1552 O SER A 102 -9.966 -11.435 -9.687 1.00 0.00 O ATOM 1553 CB SER A 102 -10.088 -13.656 -12.252 1.00 0.00 C ATOM 1554 OG SER A 102 -10.027 -13.775 -13.663 1.00 0.00 O ATOM 0 H SER A 102 -7.635 -13.421 -12.565 1.00 0.00 H new ATOM 0 HA SER A 102 -9.759 -11.534 -12.183 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.684 -14.557 -11.790 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.128 -13.574 -11.935 1.00 0.00 H new ATOM 0 HG SER A 102 -10.534 -14.564 -13.947 1.00 0.00 H new ATOM 1560 N GLN A 103 -8.726 -13.310 -9.583 1.00 0.00 N ATOM 1561 CA GLN A 103 -8.704 -13.345 -8.125 1.00 0.00 C ATOM 1562 C GLN A 103 -8.179 -12.031 -7.557 1.00 0.00 C ATOM 1563 O GLN A 103 -8.905 -11.303 -6.882 1.00 0.00 O ATOM 1564 CB GLN A 103 -7.840 -14.508 -7.635 1.00 0.00 C ATOM 1565 CG GLN A 103 -8.513 -15.865 -7.769 1.00 0.00 C ATOM 1566 CD GLN A 103 -9.701 -16.021 -6.840 1.00 0.00 C ATOM 1567 OE1 GLN A 103 -10.834 -15.704 -7.204 1.00 0.00 O ATOM 1568 NE2 GLN A 103 -9.448 -16.511 -5.632 1.00 0.00 N ATOM 0 H GLN A 103 -8.220 -14.074 -10.031 1.00 0.00 H new ATOM 0 HA GLN A 103 -9.726 -13.488 -7.774 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -6.906 -14.518 -8.197 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.581 -14.342 -6.589 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -8.841 -16.003 -8.799 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -7.786 -16.649 -7.558 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -8.494 -16.761 -5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -10.208 -16.638 -4.964 1.00 0.00 H new ATOM 1577 N GLN A 104 -6.913 -11.736 -7.835 1.00 0.00 N ATOM 1578 CA GLN A 104 -6.291 -10.509 -7.350 1.00 0.00 C ATOM 1579 C GLN A 104 -7.297 -9.364 -7.320 1.00 0.00 C ATOM 1580 O GLN A 104 -7.434 -8.668 -6.313 1.00 0.00 O ATOM 1581 CB GLN A 104 -5.099 -10.134 -8.231 1.00 0.00 C ATOM 1582 CG GLN A 104 -4.353 -8.899 -7.752 1.00 0.00 C ATOM 1583 CD GLN A 104 -3.717 -9.094 -6.389 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -2.497 -9.208 -6.271 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -4.543 -9.132 -5.350 1.00 0.00 N ATOM 0 H GLN A 104 -6.298 -12.329 -8.393 1.00 0.00 H new ATOM 0 HA GLN A 104 -5.940 -10.686 -6.333 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.406 -10.975 -8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.449 -9.964 -9.249 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -3.580 -8.642 -8.476 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.043 -8.056 -7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.548 -9.033 -5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.172 -9.260 -4.408 1.00 0.00 H new ATOM 1594 N THR A 105 -8.001 -9.171 -8.432 1.00 0.00 N ATOM 1595 CA THR A 105 -8.993 -8.109 -8.534 1.00 0.00 C ATOM 1596 C THR A 105 -9.880 -8.064 -7.295 1.00 0.00 C ATOM 1597 O THR A 105 -9.882 -7.078 -6.558 1.00 0.00 O ATOM 1598 CB THR A 105 -9.880 -8.287 -9.780 1.00 0.00 C ATOM 1599 OG1 THR A 105 -9.065 -8.378 -10.954 1.00 0.00 O ATOM 1600 CG2 THR A 105 -10.854 -7.127 -9.922 1.00 0.00 C ATOM 0 H THR A 105 -7.902 -9.737 -9.275 1.00 0.00 H new ATOM 0 HA THR A 105 -8.444 -7.171 -8.619 1.00 0.00 H new ATOM 0 HB THR A 105 -10.451 -9.208 -9.662 1.00 0.00 H new ATOM 0 HG1 THR A 105 -8.697 -9.283 -11.028 1.00 0.00 H new ATOM 0 HG21 THR A 105 -11.470 -7.275 -10.809 1.00 0.00 H new ATOM 0 HG22 THR A 105 -11.493 -7.079 -9.041 1.00 0.00 H new ATOM 0 HG23 THR A 105 -10.298 -6.195 -10.018 1.00 0.00 H new ATOM 1608 N GLN A 106 -10.631 -9.138 -7.072 1.00 0.00 N ATOM 1609 CA GLN A 106 -11.523 -9.220 -5.921 1.00 0.00 C ATOM 1610 C GLN A 106 -10.840 -8.688 -4.664 1.00 0.00 C ATOM 1611 O GLN A 106 -11.417 -7.894 -3.920 1.00 0.00 O ATOM 1612 CB GLN A 106 -11.972 -10.665 -5.699 1.00 0.00 C ATOM 1613 CG GLN A 106 -13.114 -10.801 -4.705 1.00 0.00 C ATOM 1614 CD GLN A 106 -14.365 -10.069 -5.148 1.00 0.00 C ATOM 1615 OE1 GLN A 106 -15.097 -10.538 -6.020 1.00 0.00 O ATOM 1616 NE2 GLN A 106 -14.617 -8.911 -4.549 1.00 0.00 N ATOM 0 H GLN A 106 -10.640 -9.963 -7.672 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.398 -8.603 -6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.279 -11.092 -6.654 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.123 -11.251 -5.347 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.346 -11.857 -4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.796 -10.415 -3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -13.983 -8.560 -3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.444 -8.373 -4.807 1.00 0.00 H new ATOM 1625 N LEU A 107 -9.609 -9.132 -4.434 1.00 0.00 N ATOM 1626 CA LEU A 107 -8.847 -8.702 -3.266 1.00 0.00 C ATOM 1627 C LEU A 107 -8.709 -7.183 -3.236 1.00 0.00 C ATOM 1628 O LEU A 107 -8.797 -6.563 -2.178 1.00 0.00 O ATOM 1629 CB LEU A 107 -7.463 -9.351 -3.269 1.00 0.00 C ATOM 1630 CG LEU A 107 -6.539 -8.969 -2.112 1.00 0.00 C ATOM 1631 CD1 LEU A 107 -5.589 -10.111 -1.787 1.00 0.00 C ATOM 1632 CD2 LEU A 107 -5.762 -7.704 -2.446 1.00 0.00 C ATOM 0 H LEU A 107 -9.117 -9.789 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.387 -9.017 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.591 -10.433 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.966 -9.095 -4.204 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.152 -8.773 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.940 -9.820 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.164 -10.993 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.982 -10.340 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.110 -7.447 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.160 -7.872 -3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.459 -6.886 -2.627 1.00 0.00 H new ATOM 1644 N ASN A 108 -8.494 -6.590 -4.406 1.00 0.00 N ATOM 1645 CA ASN A 108 -8.345 -5.143 -4.514 1.00 0.00 C ATOM 1646 C ASN A 108 -9.635 -4.433 -4.116 1.00 0.00 C ATOM 1647 O ASN A 108 -9.676 -3.708 -3.121 1.00 0.00 O ATOM 1648 CB ASN A 108 -7.956 -4.755 -5.942 1.00 0.00 C ATOM 1649 CG ASN A 108 -6.453 -4.747 -6.150 1.00 0.00 C ATOM 1650 OD1 ASN A 108 -5.761 -3.823 -5.723 1.00 0.00 O ATOM 1651 ND2 ASN A 108 -5.942 -5.781 -6.809 1.00 0.00 N ATOM 0 H ASN A 108 -8.419 -7.089 -5.292 1.00 0.00 H new ATOM 0 HA ASN A 108 -7.554 -4.832 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.413 -5.453 -6.643 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.357 -3.767 -6.169 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.938 -5.831 -6.979 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.554 -6.525 -7.145 1.00 0.00 H new ATOM 1658 N THR A 109 -10.688 -4.645 -4.899 1.00 0.00 N ATOM 1659 CA THR A 109 -11.979 -4.025 -4.630 1.00 0.00 C ATOM 1660 C THR A 109 -12.305 -4.060 -3.141 1.00 0.00 C ATOM 1661 O THR A 109 -12.858 -3.105 -2.595 1.00 0.00 O ATOM 1662 CB THR A 109 -13.110 -4.723 -5.407 1.00 0.00 C ATOM 1663 OG1 THR A 109 -12.853 -4.654 -6.814 1.00 0.00 O ATOM 1664 CG2 THR A 109 -14.454 -4.080 -5.101 1.00 0.00 C ATOM 0 H THR A 109 -10.672 -5.242 -5.726 1.00 0.00 H new ATOM 0 HA THR A 109 -11.907 -2.989 -4.960 1.00 0.00 H new ATOM 0 HB THR A 109 -13.144 -5.767 -5.095 1.00 0.00 H new ATOM 0 HG1 THR A 109 -13.576 -5.102 -7.301 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.237 -4.590 -5.661 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.661 -4.160 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.428 -3.029 -5.388 1.00 0.00 H new ATOM 1672 N ASP A 110 -11.958 -5.164 -2.489 1.00 0.00 N ATOM 1673 CA ASP A 110 -12.212 -5.322 -1.062 1.00 0.00 C ATOM 1674 C ASP A 110 -11.204 -4.527 -0.239 1.00 0.00 C ATOM 1675 O ASP A 110 -11.574 -3.806 0.688 1.00 0.00 O ATOM 1676 CB ASP A 110 -12.155 -6.800 -0.672 1.00 0.00 C ATOM 1677 CG ASP A 110 -13.439 -7.536 -1.003 1.00 0.00 C ATOM 1678 OD1 ASP A 110 -14.491 -6.873 -1.115 1.00 0.00 O ATOM 1679 OD2 ASP A 110 -13.391 -8.776 -1.149 1.00 0.00 O ATOM 0 H ASP A 110 -11.500 -5.963 -2.926 1.00 0.00 H new ATOM 0 HA ASP A 110 -13.210 -4.937 -0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -11.322 -7.277 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.957 -6.883 0.397 1.00 0.00 H new ATOM 1684 N LEU A 111 -9.928 -4.663 -0.584 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.865 -3.958 0.123 1.00 0.00 C ATOM 1686 C LEU A 111 -9.205 -2.480 0.285 1.00 0.00 C ATOM 1687 O LEU A 111 -9.294 -1.970 1.402 1.00 0.00 O ATOM 1688 CB LEU A 111 -7.540 -4.109 -0.626 1.00 0.00 C ATOM 1689 CG LEU A 111 -6.459 -3.081 -0.292 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -6.190 -3.056 1.205 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -5.180 -3.383 -1.060 1.00 0.00 C ATOM 0 H LEU A 111 -9.605 -5.255 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.767 -4.400 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.142 -5.103 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.743 -4.059 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.816 -2.096 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.418 -2.318 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.105 -2.791 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.854 -4.040 1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.422 -2.641 -0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.819 -4.376 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.382 -3.349 -2.131 1.00 0.00 H new ATOM 1703 N THR A 112 -9.397 -1.796 -0.839 1.00 0.00 N ATOM 1704 CA THR A 112 -9.729 -0.377 -0.822 1.00 0.00 C ATOM 1705 C THR A 112 -10.956 -0.109 0.041 1.00 0.00 C ATOM 1706 O THR A 112 -10.883 0.615 1.033 1.00 0.00 O ATOM 1707 CB THR A 112 -9.989 0.155 -2.244 1.00 0.00 C ATOM 1708 OG1 THR A 112 -8.949 -0.277 -3.127 1.00 0.00 O ATOM 1709 CG2 THR A 112 -10.065 1.675 -2.247 1.00 0.00 C ATOM 0 H THR A 112 -9.328 -2.202 -1.772 1.00 0.00 H new ATOM 0 HA THR A 112 -8.870 0.144 -0.398 1.00 0.00 H new ATOM 0 HB THR A 112 -10.944 -0.242 -2.588 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.123 0.064 -4.029 1.00 0.00 H new ATOM 0 HG21 THR A 112 -10.249 2.028 -3.262 1.00 0.00 H new ATOM 0 HG22 THR A 112 -10.877 2.000 -1.597 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.123 2.087 -1.885 1.00 0.00 H new ATOM 1717 N ALA A 113 -12.084 -0.699 -0.342 1.00 0.00 N ATOM 1718 CA ALA A 113 -13.327 -0.526 0.399 1.00 0.00 C ATOM 1719 C ALA A 113 -13.062 -0.422 1.897 1.00 0.00 C ATOM 1720 O ALA A 113 -13.428 0.565 2.535 1.00 0.00 O ATOM 1721 CB ALA A 113 -14.279 -1.676 0.108 1.00 0.00 C ATOM 0 H ALA A 113 -12.162 -1.301 -1.162 1.00 0.00 H new ATOM 0 HA ALA A 113 -13.790 0.405 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -15.203 -1.534 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.502 -1.703 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.815 -2.616 0.406 1.00 0.00 H new ATOM 1727 N PHE A 114 -12.426 -1.448 2.454 1.00 0.00 N ATOM 1728 CA PHE A 114 -12.114 -1.472 3.878 1.00 0.00 C ATOM 1729 C PHE A 114 -11.706 -0.086 4.369 1.00 0.00 C ATOM 1730 O PHE A 114 -12.218 0.402 5.378 1.00 0.00 O ATOM 1731 CB PHE A 114 -10.994 -2.476 4.159 1.00 0.00 C ATOM 1732 CG PHE A 114 -10.359 -2.302 5.509 1.00 0.00 C ATOM 1733 CD1 PHE A 114 -9.327 -1.395 5.693 1.00 0.00 C ATOM 1734 CD2 PHE A 114 -10.793 -3.045 6.595 1.00 0.00 C ATOM 1735 CE1 PHE A 114 -8.741 -1.234 6.934 1.00 0.00 C ATOM 1736 CE2 PHE A 114 -10.211 -2.888 7.838 1.00 0.00 C ATOM 1737 CZ PHE A 114 -9.184 -1.981 8.008 1.00 0.00 C ATOM 0 H PHE A 114 -12.117 -2.273 1.941 1.00 0.00 H new ATOM 0 HA PHE A 114 -13.011 -1.779 4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -11.395 -3.487 4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.228 -2.378 3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.977 -0.808 4.857 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -11.596 -3.756 6.468 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.937 -0.525 7.064 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -10.559 -3.474 8.676 1.00 0.00 H new ATOM 0 HZ PHE A 114 -8.728 -1.856 8.979 1.00 0.00 H new ATOM 1747 N LEU A 115 -10.783 0.541 3.651 1.00 0.00 N ATOM 1748 CA LEU A 115 -10.304 1.871 4.013 1.00 0.00 C ATOM 1749 C LEU A 115 -11.410 2.910 3.851 1.00 0.00 C ATOM 1750 O LEU A 115 -11.728 3.642 4.787 1.00 0.00 O ATOM 1751 CB LEU A 115 -9.099 2.253 3.151 1.00 0.00 C ATOM 1752 CG LEU A 115 -7.852 1.385 3.319 1.00 0.00 C ATOM 1753 CD1 LEU A 115 -6.979 1.459 2.077 1.00 0.00 C ATOM 1754 CD2 LEU A 115 -7.067 1.812 4.551 1.00 0.00 C ATOM 0 H LEU A 115 -10.350 0.151 2.814 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.001 1.849 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.401 2.221 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.831 3.286 3.374 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.168 0.351 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.096 0.835 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.543 1.104 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.671 2.491 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.183 1.183 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.762 2.853 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.694 1.706 5.437 1.00 0.00 H new ATOM 1766 N GLN A 116 -11.991 2.966 2.657 1.00 0.00 N ATOM 1767 CA GLN A 116 -13.062 3.915 2.373 1.00 0.00 C ATOM 1768 C GLN A 116 -14.091 3.926 3.499 1.00 0.00 C ATOM 1769 O GLN A 116 -14.687 4.961 3.800 1.00 0.00 O ATOM 1770 CB GLN A 116 -13.742 3.567 1.048 1.00 0.00 C ATOM 1771 CG GLN A 116 -12.794 2.984 0.012 1.00 0.00 C ATOM 1772 CD GLN A 116 -13.390 2.967 -1.381 1.00 0.00 C ATOM 1773 OE1 GLN A 116 -14.464 2.405 -1.603 1.00 0.00 O ATOM 1774 NE2 GLN A 116 -12.696 3.585 -2.330 1.00 0.00 N ATOM 0 H GLN A 116 -11.739 2.366 1.871 1.00 0.00 H new ATOM 0 HA GLN A 116 -12.622 4.909 2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -14.544 2.853 1.237 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -14.205 4.465 0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -11.872 3.565 0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -12.527 1.968 0.301 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.811 4.038 -2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -13.048 3.607 -3.287 1.00 0.00 H new ATOM 1783 N LYS A 117 -14.297 2.768 4.117 1.00 0.00 N ATOM 1784 CA LYS A 117 -15.253 2.643 5.210 1.00 0.00 C ATOM 1785 C LYS A 117 -14.595 2.963 6.549 1.00 0.00 C ATOM 1786 O LYS A 117 -14.959 3.932 7.215 1.00 0.00 O ATOM 1787 CB LYS A 117 -15.840 1.230 5.243 1.00 0.00 C ATOM 1788 CG LYS A 117 -17.140 1.094 4.469 1.00 0.00 C ATOM 1789 CD LYS A 117 -16.887 0.742 3.013 1.00 0.00 C ATOM 1790 CE LYS A 117 -16.716 1.989 2.159 1.00 0.00 C ATOM 1791 NZ LYS A 117 -17.985 2.760 2.043 1.00 0.00 N ATOM 0 H LYS A 117 -13.814 1.902 3.879 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.056 3.360 5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -15.109 0.532 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -16.012 0.941 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -17.759 0.324 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.699 2.028 4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -15.993 0.123 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -17.718 0.150 2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -15.944 2.624 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -16.372 1.704 1.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -17.950 3.361 1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -18.786 2.101 1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -18.107 3.357 2.886 1.00 0.00 H new ATOM 1805 N HIS A 118 -13.623 2.143 6.935 1.00 0.00 N ATOM 1806 CA HIS A 118 -12.912 2.340 8.194 1.00 0.00 C ATOM 1807 C HIS A 118 -12.375 3.764 8.297 1.00 0.00 C ATOM 1808 O HIS A 118 -12.812 4.543 9.145 1.00 0.00 O ATOM 1809 CB HIS A 118 -11.763 1.339 8.317 1.00 0.00 C ATOM 1810 CG HIS A 118 -12.207 -0.037 8.709 1.00 0.00 C ATOM 1811 ND1 HIS A 118 -11.684 -0.718 9.788 1.00 0.00 N ATOM 1812 CD2 HIS A 118 -13.132 -0.859 8.160 1.00 0.00 C ATOM 1813 CE1 HIS A 118 -12.267 -1.900 9.885 1.00 0.00 C ATOM 1814 NE2 HIS A 118 -13.150 -2.010 8.909 1.00 0.00 N ATOM 0 H HIS A 118 -13.310 1.336 6.395 1.00 0.00 H new ATOM 0 HA HIS A 118 -13.616 2.176 9.010 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -11.236 1.284 7.364 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -11.050 1.706 9.055 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -13.742 -0.649 7.294 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -12.057 -2.649 10.635 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -13.748 -2.819 8.739 1.00 0.00 H new ATOM 1823 N CYS A 119 -11.425 4.097 7.430 1.00 0.00 N ATOM 1824 CA CYS A 119 -10.827 5.427 7.425 1.00 0.00 C ATOM 1825 C CYS A 119 -11.316 6.239 6.230 1.00 0.00 C ATOM 1826 O CYS A 119 -10.993 5.931 5.082 1.00 0.00 O ATOM 1827 CB CYS A 119 -9.301 5.323 7.395 1.00 0.00 C ATOM 1828 SG CYS A 119 -8.449 6.753 8.101 1.00 0.00 S ATOM 0 H CYS A 119 -11.053 3.464 6.722 1.00 0.00 H new ATOM 0 HA CYS A 119 -11.132 5.938 8.338 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -8.998 4.428 7.939 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -8.977 5.194 6.362 1.00 0.00 H new ATOM 0 HG CYS A 119 -7.690 7.296 7.196 1.00 0.00 H new ATOM 1834 N HIS A 120 -12.100 7.276 6.507 1.00 0.00 N ATOM 1835 CA HIS A 120 -12.636 8.132 5.455 1.00 0.00 C ATOM 1836 C HIS A 120 -12.467 9.606 5.814 1.00 0.00 C ATOM 1837 O HIS A 120 -13.375 10.230 6.362 1.00 0.00 O ATOM 1838 CB HIS A 120 -14.114 7.820 5.217 1.00 0.00 C ATOM 1839 CG HIS A 120 -14.628 8.320 3.903 1.00 0.00 C ATOM 1840 ND1 HIS A 120 -15.899 8.829 3.736 1.00 0.00 N ATOM 1841 CD2 HIS A 120 -14.034 8.390 2.688 1.00 0.00 C ATOM 1842 CE1 HIS A 120 -16.065 9.188 2.476 1.00 0.00 C ATOM 1843 NE2 HIS A 120 -14.948 8.932 1.819 1.00 0.00 N ATOM 0 H HIS A 120 -12.378 7.544 7.451 1.00 0.00 H new ATOM 0 HA HIS A 120 -12.078 7.933 4.540 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -14.262 6.741 5.269 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.704 8.262 6.020 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -13.029 8.078 2.448 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -16.962 9.618 2.054 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -14.790 9.108 0.827 1.00 0.00 H new ATOM 1852 N GLY A 121 -11.297 10.155 5.502 1.00 0.00 N ATOM 1853 CA GLY A 121 -11.030 11.550 5.800 1.00 0.00 C ATOM 1854 C GLY A 121 -9.586 11.793 6.195 1.00 0.00 C ATOM 1855 O GLY A 121 -9.064 12.894 6.018 1.00 0.00 O ATOM 0 H GLY A 121 -10.530 9.659 5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -11.272 12.157 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.684 11.877 6.608 1.00 0.00 H new ATOM 1859 N ASP A 122 -8.941 10.764 6.732 1.00 0.00 N ATOM 1860 CA ASP A 122 -7.549 10.870 7.153 1.00 0.00 C ATOM 1861 C ASP A 122 -6.647 10.009 6.274 1.00 0.00 C ATOM 1862 O ASP A 122 -7.106 9.392 5.312 1.00 0.00 O ATOM 1863 CB ASP A 122 -7.403 10.453 8.617 1.00 0.00 C ATOM 1864 CG ASP A 122 -8.588 10.879 9.461 1.00 0.00 C ATOM 1865 OD1 ASP A 122 -8.941 12.076 9.427 1.00 0.00 O ATOM 1866 OD2 ASP A 122 -9.163 10.015 10.157 1.00 0.00 O ATOM 0 H ASP A 122 -9.360 9.847 6.886 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.242 11.911 7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.291 9.370 8.674 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -6.493 10.890 9.027 1.00 0.00 H new ATOM 1871 N VAL A 123 -5.361 9.973 6.609 1.00 0.00 N ATOM 1872 CA VAL A 123 -4.395 9.188 5.850 1.00 0.00 C ATOM 1873 C VAL A 123 -4.057 7.888 6.571 1.00 0.00 C ATOM 1874 O VAL A 123 -3.415 7.897 7.622 1.00 0.00 O ATOM 1875 CB VAL A 123 -3.097 9.980 5.606 1.00 0.00 C ATOM 1876 CG1 VAL A 123 -3.282 10.972 4.468 1.00 0.00 C ATOM 1877 CG2 VAL A 123 -2.659 10.690 6.878 1.00 0.00 C ATOM 0 H VAL A 123 -4.964 10.478 7.401 1.00 0.00 H new ATOM 0 HA VAL A 123 -4.857 8.958 4.890 1.00 0.00 H new ATOM 0 HB VAL A 123 -2.313 9.279 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -2.354 11.522 4.310 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -3.545 10.435 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.080 11.671 4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -1.740 11.245 6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.440 11.380 7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.482 9.955 7.663 1.00 0.00 H new ATOM 1887 N CYS A 124 -4.492 6.771 5.998 1.00 0.00 N ATOM 1888 CA CYS A 124 -4.236 5.461 6.586 1.00 0.00 C ATOM 1889 C CYS A 124 -3.774 4.469 5.523 1.00 0.00 C ATOM 1890 O CYS A 124 -4.587 3.764 4.924 1.00 0.00 O ATOM 1891 CB CYS A 124 -5.493 4.935 7.280 1.00 0.00 C ATOM 1892 SG CYS A 124 -5.160 3.861 8.696 1.00 0.00 S ATOM 0 H CYS A 124 -5.023 6.746 5.128 1.00 0.00 H new ATOM 0 HA CYS A 124 -3.442 5.571 7.325 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -6.092 5.782 7.613 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -6.093 4.386 6.554 1.00 0.00 H new ATOM 0 HG CYS A 124 -6.285 3.468 9.217 1.00 0.00 H new ATOM 1898 N ILE A 125 -2.467 4.421 5.294 1.00 0.00 N ATOM 1899 CA ILE A 125 -1.898 3.516 4.303 1.00 0.00 C ATOM 1900 C ILE A 125 -1.559 2.164 4.923 1.00 0.00 C ATOM 1901 O ILE A 125 -1.857 1.114 4.352 1.00 0.00 O ATOM 1902 CB ILE A 125 -0.628 4.107 3.664 1.00 0.00 C ATOM 1903 CG1 ILE A 125 -0.965 5.392 2.903 1.00 0.00 C ATOM 1904 CG2 ILE A 125 0.021 3.091 2.736 1.00 0.00 C ATOM 1905 CD1 ILE A 125 -2.027 5.205 1.843 1.00 0.00 C ATOM 0 H ILE A 125 -1.781 4.998 5.781 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.654 3.380 3.530 1.00 0.00 H new ATOM 0 HB ILE A 125 0.080 4.350 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.301 6.148 3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.059 5.775 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.917 3.524 2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.291 2.200 3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.680 2.820 1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.215 6.156 1.345 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.686 4.473 1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.947 4.851 2.308 1.00 0.00 H new ATOM 1917 N LEU A 126 -0.936 2.197 6.096 1.00 0.00 N ATOM 1918 CA LEU A 126 -0.557 0.975 6.796 1.00 0.00 C ATOM 1919 C LEU A 126 -1.748 0.031 6.926 1.00 0.00 C ATOM 1920 O LEU A 126 -1.714 -1.098 6.438 1.00 0.00 O ATOM 1921 CB LEU A 126 -0.003 1.308 8.182 1.00 0.00 C ATOM 1922 CG LEU A 126 1.505 1.550 8.262 1.00 0.00 C ATOM 1923 CD1 LEU A 126 1.880 2.140 9.612 1.00 0.00 C ATOM 1924 CD2 LEU A 126 2.267 0.257 8.013 1.00 0.00 C ATOM 0 H LEU A 126 -0.683 3.057 6.582 1.00 0.00 H new ATOM 0 HA LEU A 126 0.217 0.477 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.514 2.197 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.256 0.491 8.858 1.00 0.00 H new ATOM 0 HG LEU A 126 1.780 2.265 7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 126 2.957 2.305 9.650 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.362 3.089 9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.591 1.449 10.404 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.338 0.449 8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.987 -0.481 8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.022 -0.124 7.022 1.00 0.00 H new ATOM 1936 N ASN A 127 -2.802 0.502 7.585 1.00 0.00 N ATOM 1937 CA ASN A 127 -4.004 -0.300 7.777 1.00 0.00 C ATOM 1938 C ASN A 127 -4.277 -1.172 6.555 1.00 0.00 C ATOM 1939 O ASN A 127 -4.720 -2.314 6.682 1.00 0.00 O ATOM 1940 CB ASN A 127 -5.208 0.605 8.050 1.00 0.00 C ATOM 1941 CG ASN A 127 -5.357 0.940 9.521 1.00 0.00 C ATOM 1942 OD1 ASN A 127 -4.318 1.528 10.103 1.00 0.00 O flip ATOM 1943 ND2 ASN A 127 -6.394 0.672 10.128 1.00 0.00 N flip ATOM 0 H ASN A 127 -2.848 1.435 7.995 1.00 0.00 H new ATOM 0 HA ASN A 127 -3.843 -0.950 8.637 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -5.103 1.527 7.479 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -6.115 0.114 7.698 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -7.168 0.220 9.641 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -6.479 0.902 11.118 1.00 0.00 H new ATOM 1950 N ALA A 128 -4.009 -0.627 5.374 1.00 0.00 N ATOM 1951 CA ALA A 128 -4.223 -1.356 4.130 1.00 0.00 C ATOM 1952 C ALA A 128 -3.253 -2.527 4.006 1.00 0.00 C ATOM 1953 O ALA A 128 -3.659 -3.658 3.735 1.00 0.00 O ATOM 1954 CB ALA A 128 -4.079 -0.421 2.938 1.00 0.00 C ATOM 0 H ALA A 128 -3.643 0.317 5.252 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.237 -1.757 4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.241 -0.979 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.815 0.379 3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.077 0.008 2.931 1.00 0.00 H new ATOM 1960 N THR A 129 -1.968 -2.249 4.206 1.00 0.00 N ATOM 1961 CA THR A 129 -0.941 -3.279 4.115 1.00 0.00 C ATOM 1962 C THR A 129 -1.174 -4.381 5.142 1.00 0.00 C ATOM 1963 O THR A 129 -0.871 -5.547 4.893 1.00 0.00 O ATOM 1964 CB THR A 129 0.466 -2.688 4.323 1.00 0.00 C ATOM 1965 OG1 THR A 129 0.542 -2.041 5.599 1.00 0.00 O ATOM 1966 CG2 THR A 129 0.803 -1.692 3.223 1.00 0.00 C ATOM 0 H THR A 129 -1.614 -1.319 4.432 1.00 0.00 H new ATOM 0 HA THR A 129 -1.005 -3.702 3.112 1.00 0.00 H new ATOM 0 HB THR A 129 1.188 -3.504 4.286 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.353 -1.995 5.996 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.801 -1.288 3.391 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.773 -2.194 2.256 1.00 0.00 H new ATOM 0 HG23 THR A 129 0.076 -0.880 3.233 1.00 0.00 H new ATOM 1974 N GLU A 130 -1.714 -4.003 6.296 1.00 0.00 N ATOM 1975 CA GLU A 130 -1.987 -4.961 7.361 1.00 0.00 C ATOM 1976 C GLU A 130 -3.264 -5.745 7.073 1.00 0.00 C ATOM 1977 O GLU A 130 -3.505 -6.798 7.664 1.00 0.00 O ATOM 1978 CB GLU A 130 -2.110 -4.241 8.706 1.00 0.00 C ATOM 1979 CG GLU A 130 -0.774 -3.975 9.378 1.00 0.00 C ATOM 1980 CD GLU A 130 -0.341 -5.110 10.286 1.00 0.00 C ATOM 1981 OE1 GLU A 130 -1.225 -5.803 10.831 1.00 0.00 O ATOM 1982 OE2 GLU A 130 0.881 -5.305 10.451 1.00 0.00 O ATOM 0 H GLU A 130 -1.971 -3.041 6.517 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.153 -5.662 7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -2.626 -3.293 8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.730 -4.839 9.373 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.013 -3.815 8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.841 -3.055 9.959 1.00 0.00 H new ATOM 1989 N TRP A 131 -4.078 -5.224 6.162 1.00 0.00 N ATOM 1990 CA TRP A 131 -5.331 -5.875 5.796 1.00 0.00 C ATOM 1991 C TRP A 131 -5.120 -6.852 4.645 1.00 0.00 C ATOM 1992 O TRP A 131 -5.948 -7.731 4.404 1.00 0.00 O ATOM 1993 CB TRP A 131 -6.378 -4.829 5.408 1.00 0.00 C ATOM 1994 CG TRP A 131 -7.635 -5.426 4.850 1.00 0.00 C ATOM 1995 CD1 TRP A 131 -8.842 -5.531 5.481 1.00 0.00 C ATOM 1996 CD2 TRP A 131 -7.808 -6.001 3.551 1.00 0.00 C ATOM 1997 NE1 TRP A 131 -9.755 -6.136 4.652 1.00 0.00 N ATOM 1998 CE2 TRP A 131 -9.145 -6.434 3.461 1.00 0.00 C ATOM 1999 CE3 TRP A 131 -6.964 -6.190 2.453 1.00 0.00 C ATOM 2000 CZ2 TRP A 131 -9.655 -7.045 2.319 1.00 0.00 C ATOM 2001 CZ3 TRP A 131 -7.471 -6.797 1.320 1.00 0.00 C ATOM 2002 CH2 TRP A 131 -8.806 -7.218 1.259 1.00 0.00 C ATOM 0 H TRP A 131 -3.893 -4.353 5.664 1.00 0.00 H new ATOM 0 HA TRP A 131 -5.688 -6.433 6.661 1.00 0.00 H new ATOM 0 HB2 TRP A 131 -6.626 -4.231 6.285 1.00 0.00 H new ATOM 0 HB3 TRP A 131 -5.948 -4.151 4.671 1.00 0.00 H new ATOM 0 HD1 TRP A 131 -9.048 -5.189 6.484 1.00 0.00 H new ATOM 0 HE1 TRP A 131 -10.729 -6.332 4.885 1.00 0.00 H new ATOM 0 HE3 TRP A 131 -5.934 -5.867 2.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 -10.684 -7.371 2.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 -6.827 -6.950 0.467 1.00 0.00 H new ATOM 0 HH2 TRP A 131 -9.172 -7.688 0.358 1.00 0.00 H new ATOM 2013 N VAL A 132 -4.007 -6.695 3.936 1.00 0.00 N ATOM 2014 CA VAL A 132 -3.687 -7.565 2.811 1.00 0.00 C ATOM 2015 C VAL A 132 -2.889 -8.781 3.266 1.00 0.00 C ATOM 2016 O VAL A 132 -3.291 -9.922 3.037 1.00 0.00 O ATOM 2017 CB VAL A 132 -2.887 -6.814 1.730 1.00 0.00 C ATOM 2018 CG1 VAL A 132 -2.195 -7.797 0.798 1.00 0.00 C ATOM 2019 CG2 VAL A 132 -3.795 -5.876 0.950 1.00 0.00 C ATOM 0 H VAL A 132 -3.311 -5.973 4.121 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.635 -7.895 2.387 1.00 0.00 H new ATOM 0 HB VAL A 132 -2.120 -6.215 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.635 -7.248 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.512 -8.423 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.942 -8.425 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -3.213 -5.354 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.586 -6.452 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.238 -5.149 1.631 1.00 0.00 H new ATOM 2029 N ARG A 133 -1.755 -8.530 3.913 1.00 0.00 N ATOM 2030 CA ARG A 133 -0.899 -9.604 4.400 1.00 0.00 C ATOM 2031 C ARG A 133 -1.733 -10.736 4.994 1.00 0.00 C ATOM 2032 O ARG A 133 -1.293 -11.885 5.040 1.00 0.00 O ATOM 2033 CB ARG A 133 0.077 -9.071 5.450 1.00 0.00 C ATOM 2034 CG ARG A 133 -0.604 -8.522 6.693 1.00 0.00 C ATOM 2035 CD ARG A 133 0.373 -8.385 7.850 1.00 0.00 C ATOM 2036 NE ARG A 133 1.055 -7.094 7.841 1.00 0.00 N ATOM 2037 CZ ARG A 133 2.144 -6.843 7.123 1.00 0.00 C ATOM 2038 NH1 ARG A 133 2.672 -7.790 6.360 1.00 0.00 N ATOM 2039 NH2 ARG A 133 2.707 -5.643 7.168 1.00 0.00 N ATOM 0 H ARG A 133 -1.408 -7.592 4.112 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.334 -9.996 3.555 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.756 -9.872 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.685 -8.285 5.002 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.043 -7.550 6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.422 -9.182 6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -0.162 -8.506 8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 133 1.111 -9.185 7.798 1.00 0.00 H new ATOM 0 HE ARG A 133 0.674 -6.344 8.418 1.00 0.00 H new ATOM 0 HH11 ARG A 133 2.242 -8.714 6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 133 3.508 -7.594 5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.304 -4.912 7.754 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.543 -5.451 6.616 1.00 0.00 H new ATOM 2053 N GLU A 134 -2.937 -10.403 5.448 1.00 0.00 N ATOM 2054 CA GLU A 134 -3.830 -11.391 6.040 1.00 0.00 C ATOM 2055 C GLU A 134 -4.798 -11.944 4.997 1.00 0.00 C ATOM 2056 O GLU A 134 -4.844 -13.150 4.754 1.00 0.00 O ATOM 2057 CB GLU A 134 -4.613 -10.774 7.201 1.00 0.00 C ATOM 2058 CG GLU A 134 -5.072 -11.789 8.234 1.00 0.00 C ATOM 2059 CD GLU A 134 -6.421 -12.394 7.897 1.00 0.00 C ATOM 2060 OE1 GLU A 134 -7.366 -11.622 7.630 1.00 0.00 O ATOM 2061 OE2 GLU A 134 -6.533 -13.638 7.902 1.00 0.00 O ATOM 0 H GLU A 134 -3.316 -9.457 5.417 1.00 0.00 H new ATOM 0 HA GLU A 134 -3.221 -12.212 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.990 -10.026 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -5.484 -10.253 6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -4.330 -12.584 8.311 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -5.127 -11.308 9.211 1.00 0.00 H new ATOM 2068 N HIS A 135 -5.570 -11.053 4.383 1.00 0.00 N ATOM 2069 CA HIS A 135 -6.537 -11.450 3.366 1.00 0.00 C ATOM 2070 C HIS A 135 -5.851 -12.201 2.229 1.00 0.00 C ATOM 2071 O HIS A 135 -6.258 -13.304 1.866 1.00 0.00 O ATOM 2072 CB HIS A 135 -7.265 -10.223 2.817 1.00 0.00 C ATOM 2073 CG HIS A 135 -8.516 -9.883 3.567 1.00 0.00 C ATOM 2074 ND1 HIS A 135 -8.741 -8.982 4.552 1.00 0.00 N flip ATOM 2075 CD2 HIS A 135 -9.725 -10.505 3.335 1.00 0.00 C flip ATOM 2076 CE1 HIS A 135 -10.068 -9.074 4.892 1.00 0.00 C flip ATOM 2077 NE2 HIS A 135 -10.640 -9.999 4.143 1.00 0.00 N flip ATOM 0 H HIS A 135 -5.545 -10.051 4.572 1.00 0.00 H new ATOM 0 HA HIS A 135 -7.264 -12.116 3.831 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -6.590 -9.367 2.846 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.515 -10.397 1.770 1.00 0.00 H new ATOM 0 HD1 HIS A 135 -8.053 -8.352 4.965 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -9.897 -11.284 2.607 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -10.564 -8.485 5.649 1.00 0.00 H new ATOM 2086 N ALA A 136 -4.809 -11.595 1.670 1.00 0.00 N ATOM 2087 CA ALA A 136 -4.067 -12.206 0.575 1.00 0.00 C ATOM 2088 C ALA A 136 -4.021 -13.723 0.722 1.00 0.00 C ATOM 2089 O ALA A 136 -4.590 -14.452 -0.091 1.00 0.00 O ATOM 2090 CB ALA A 136 -2.657 -11.638 0.511 1.00 0.00 C ATOM 0 H ALA A 136 -4.460 -10.681 1.958 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.584 -11.972 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -2.114 -12.104 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.706 -10.561 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.140 -11.842 1.448 1.00 0.00 H new ATOM 2096 N SER A 137 -3.341 -14.192 1.763 1.00 0.00 N ATOM 2097 CA SER A 137 -3.218 -15.623 2.013 1.00 0.00 C ATOM 2098 C SER A 137 -4.501 -16.354 1.633 1.00 0.00 C ATOM 2099 O SER A 137 -4.466 -17.395 0.978 1.00 0.00 O ATOM 2100 CB SER A 137 -2.890 -15.878 3.486 1.00 0.00 C ATOM 2101 OG SER A 137 -3.917 -15.386 4.329 1.00 0.00 O ATOM 0 H SER A 137 -2.867 -13.602 2.447 1.00 0.00 H new ATOM 0 HA SER A 137 -2.406 -16.006 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 137 -2.759 -16.947 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 137 -1.945 -15.398 3.740 1.00 0.00 H new ATOM 0 HG SER A 137 -3.840 -14.412 4.404 1.00 0.00 H new ATOM 2107 N GLY A 138 -5.636 -15.800 2.048 1.00 0.00 N ATOM 2108 CA GLY A 138 -6.916 -16.411 1.742 1.00 0.00 C ATOM 2109 C GLY A 138 -7.154 -16.543 0.251 1.00 0.00 C ATOM 2110 O GLY A 138 -7.378 -17.643 -0.255 1.00 0.00 O ATOM 0 H GLY A 138 -5.692 -14.938 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.964 -17.398 2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.715 -15.814 2.183 1.00 0.00 H new ATOM 2114 N TYR A 139 -7.107 -15.419 -0.456 1.00 0.00 N ATOM 2115 CA TYR A 139 -7.324 -15.412 -1.898 1.00 0.00 C ATOM 2116 C TYR A 139 -6.358 -16.363 -2.598 1.00 0.00 C ATOM 2117 O TYR A 139 -6.769 -17.221 -3.379 1.00 0.00 O ATOM 2118 CB TYR A 139 -7.156 -13.997 -2.453 1.00 0.00 C ATOM 2119 CG TYR A 139 -8.224 -13.033 -1.988 1.00 0.00 C ATOM 2120 CD1 TYR A 139 -9.513 -13.093 -2.501 1.00 0.00 C ATOM 2121 CD2 TYR A 139 -7.943 -12.062 -1.035 1.00 0.00 C ATOM 2122 CE1 TYR A 139 -10.492 -12.215 -2.079 1.00 0.00 C ATOM 2123 CE2 TYR A 139 -8.916 -11.180 -0.606 1.00 0.00 C ATOM 2124 CZ TYR A 139 -10.189 -11.260 -1.131 1.00 0.00 C ATOM 2125 OH TYR A 139 -11.160 -10.382 -0.708 1.00 0.00 O ATOM 0 H TYR A 139 -6.920 -14.501 -0.054 1.00 0.00 H new ATOM 0 HA TYR A 139 -8.342 -15.751 -2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -6.179 -13.614 -2.158 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -7.166 -14.039 -3.542 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -9.754 -13.840 -3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -6.947 -11.996 -0.623 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -11.489 -12.276 -2.489 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.681 -10.432 0.137 1.00 0.00 H new ATOM 0 HH TYR A 139 -11.751 -10.161 -1.458 1.00 0.00 H new ATOM 2135 N VAL A 140 -5.069 -16.205 -2.310 1.00 0.00 N ATOM 2136 CA VAL A 140 -4.043 -17.050 -2.909 1.00 0.00 C ATOM 2137 C VAL A 140 -4.416 -18.524 -2.806 1.00 0.00 C ATOM 2138 O VAL A 140 -4.399 -19.105 -1.721 1.00 0.00 O ATOM 2139 CB VAL A 140 -2.674 -16.830 -2.240 1.00 0.00 C ATOM 2140 CG1 VAL A 140 -1.616 -17.713 -2.884 1.00 0.00 C ATOM 2141 CG2 VAL A 140 -2.274 -15.364 -2.315 1.00 0.00 C ATOM 0 H VAL A 140 -4.711 -15.500 -1.666 1.00 0.00 H new ATOM 0 HA VAL A 140 -3.975 -16.768 -3.960 1.00 0.00 H new ATOM 0 HB VAL A 140 -2.754 -17.108 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -0.655 -17.543 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -1.899 -18.760 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -1.534 -17.469 -3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.304 -15.227 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -2.211 -15.057 -3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.020 -14.757 -1.802 1.00 0.00 H new