USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1001 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 12 GLN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Set 1.2: A 120 TYR OH : rot 180:sc= -1.1 USER MOD Set 2.1: A 102 THR OG1 : rot -139:sc= 0.456 USER MOD Set 2.2: A 111 ASN : amide:sc= 0.504 K(o=0.59,f=-0.91) USER MOD Set 2.3: A 113 MET CE :methyl -156:sc= -0.375 (180deg=-0.956) USER MOD Set 3.1: A 43 HIS : no HD1:sc= 0.00138 X(o=-2.1,f=-2.3) USER MOD Set 3.2: A 85 MET CE :methyl -116:sc= -2.06 (180deg=-4.57!) USER MOD Set 4.1: A 47 LYS NZ :NH3+ 162:sc= 1.21 (180deg=-0.147) USER MOD Set 4.2: A 64 THR OG1 : rot 120:sc= 0.711 USER MOD Single : A 4 SER OG : rot -32:sc= 0.235 USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 1.16 (180deg=1.07) USER MOD Single : A 7 TYR OH : rot -12:sc= 0.318 USER MOD Single : A 8 GLN : amide:sc= -1.37! C(o=-1.4!,f=-1.4!) USER MOD Single : A 10 GLN :FLIP amide:sc= -4.2! C(o=-6.3!,f=-4.2!) USER MOD Single : A 11 SER OG : rot 17:sc= 0.83 USER MOD Single : A 14 ASN :FLIP amide:sc= -1.61 F(o=-2.5,f=-1.6) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 167:sc= -0.0668 (180deg=-0.359) USER MOD Single : A 30 GLN :FLIP amide:sc= -1.2 F(o=-2.5!,f=-1.2) USER MOD Single : A 31 LYS NZ :NH3+ 140:sc= -0.183 (180deg=-0.782) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0845 (180deg=-0.426) USER MOD Single : A 36 LYS NZ :NH3+ 135:sc= -1.52 (180deg=-4.05!) USER MOD Single : A 39 SER OG : rot 100:sc= -2.03! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0.0284 (180deg=0.0284) USER MOD Single : A 49 LYS NZ :NH3+ -158:sc= 1.3 (180deg=0.617) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.518 USER MOD Single : A 54 TYR OH : rot 8:sc= 1.19 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= 0.32 (180deg=-0.0457) USER MOD Single : A 60 HIS : no HE2:sc= -0.148 K(o=-0.15,f=-3.9!) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.804 F(o=-5.2!,f=-0.8) USER MOD Single : A 69 CYS SG : rot 58:sc= -0.0524 USER MOD Single : A 73 THR OG1 : rot 170:sc= 0.272 USER MOD Single : A 74 MET CE :methyl 160:sc= -0.127 (180deg=-0.666) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -139:sc= 1.2 (180deg=-0.384) USER MOD Single : A 80 LYS NZ :NH3+ -131:sc= 0.0266 (180deg=-0.109) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.948 K(o=-0.95,f=-1.8!) USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= -0.23 (180deg=-0.293) USER MOD Single : A 91 MET CE :methyl 176:sc= -1.29 (180deg=-1.4) USER MOD Single : A 93 THR OG1 : rot 66:sc= -0.0397 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0214) USER MOD Single : A 100 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 105 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.088) USER MOD Single : A 108 THR OG1 : rot 2:sc= 0.113 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -111:sc= 0.328 USER MOD Single : A 125 LYS NZ :NH3+ 154:sc= 1.27 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 54 N SER A 4 4.992 -11.433 6.306 1.00 0.00 N ATOM 55 CA SER A 4 4.698 -10.254 7.116 1.00 0.00 C ATOM 56 C SER A 4 5.954 -9.599 7.715 1.00 0.00 C ATOM 57 O SER A 4 7.060 -9.776 7.209 1.00 0.00 O ATOM 58 CB SER A 4 3.710 -10.648 8.212 1.00 0.00 C ATOM 59 OG SER A 4 4.160 -11.731 9.010 1.00 0.00 O ATOM 0 HA SER A 4 4.260 -9.499 6.464 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.526 -9.786 8.853 1.00 0.00 H new ATOM 0 HB3 SER A 4 2.757 -10.914 7.754 1.00 0.00 H new ATOM 0 HG SER A 4 4.707 -12.334 8.465 1.00 0.00 H new ATOM 65 N GLY A 5 5.761 -8.829 8.783 1.00 0.00 N ATOM 66 CA GLY A 5 6.865 -8.161 9.441 1.00 0.00 C ATOM 67 C GLY A 5 6.927 -6.700 9.099 1.00 0.00 C ATOM 68 O GLY A 5 6.022 -6.173 8.455 1.00 0.00 O ATOM 0 H GLY A 5 4.849 -8.656 9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.766 -8.276 10.520 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.801 -8.640 9.154 1.00 0.00 H new ATOM 72 N LYS A 6 7.985 -6.043 9.526 1.00 0.00 N ATOM 73 CA LYS A 6 8.124 -4.619 9.278 1.00 0.00 C ATOM 74 C LYS A 6 8.970 -4.393 8.039 1.00 0.00 C ATOM 75 O LYS A 6 10.048 -4.966 7.883 1.00 0.00 O ATOM 76 CB LYS A 6 8.788 -3.880 10.440 1.00 0.00 C ATOM 77 CG LYS A 6 8.472 -4.439 11.810 1.00 0.00 C ATOM 78 CD LYS A 6 9.557 -4.119 12.825 1.00 0.00 C ATOM 79 CE LYS A 6 9.980 -2.654 12.787 1.00 0.00 C ATOM 80 NZ LYS A 6 8.864 -1.717 13.103 1.00 0.00 N ATOM 0 H LYS A 6 8.757 -6.466 10.042 1.00 0.00 H new ATOM 0 HA LYS A 6 7.115 -4.227 9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.868 -3.900 10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.481 -2.834 10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.522 -4.032 12.156 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.350 -5.520 11.740 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.198 -4.364 13.825 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.425 -4.749 12.634 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.791 -2.497 13.498 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.374 -2.421 11.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.244 -0.760 13.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.186 -1.706 12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.382 -2.031 13.970 1.00 0.00 H new ATOM 94 N TYR A 7 8.457 -3.573 7.161 1.00 0.00 N ATOM 95 CA TYR A 7 9.186 -3.118 6.006 1.00 0.00 C ATOM 96 C TYR A 7 8.947 -1.626 5.905 1.00 0.00 C ATOM 97 O TYR A 7 7.816 -1.175 6.033 1.00 0.00 O ATOM 98 CB TYR A 7 8.703 -3.818 4.726 1.00 0.00 C ATOM 99 CG TYR A 7 8.761 -5.334 4.761 1.00 0.00 C ATOM 100 CD1 TYR A 7 7.865 -6.069 5.528 1.00 0.00 C ATOM 101 CD2 TYR A 7 9.697 -6.031 4.009 1.00 0.00 C ATOM 102 CE1 TYR A 7 7.909 -7.448 5.551 1.00 0.00 C ATOM 103 CE2 TYR A 7 9.746 -7.412 4.027 1.00 0.00 C ATOM 104 CZ TYR A 7 8.851 -8.113 4.801 1.00 0.00 C ATOM 105 OH TYR A 7 8.896 -9.487 4.825 1.00 0.00 O ATOM 0 H TYR A 7 7.511 -3.198 7.228 1.00 0.00 H new ATOM 0 HA TYR A 7 10.246 -3.349 6.111 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.675 -3.514 4.530 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.305 -3.466 3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.121 -5.552 6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.400 -5.484 3.399 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.207 -8.003 6.155 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.482 -7.937 3.437 1.00 0.00 H new ATOM 0 HH TYR A 7 8.329 -9.820 5.551 1.00 0.00 H new ATOM 115 N GLN A 8 9.981 -0.853 5.692 1.00 0.00 N ATOM 116 CA GLN A 8 9.843 0.584 5.765 1.00 0.00 C ATOM 117 C GLN A 8 9.879 1.156 4.357 1.00 0.00 C ATOM 118 O GLN A 8 10.695 0.724 3.535 1.00 0.00 O ATOM 119 CB GLN A 8 10.957 1.162 6.637 1.00 0.00 C ATOM 120 CG GLN A 8 10.632 2.522 7.238 1.00 0.00 C ATOM 121 CD GLN A 8 11.415 3.647 6.591 1.00 0.00 C ATOM 122 OE1 GLN A 8 12.539 3.451 6.129 1.00 0.00 O ATOM 123 NE2 GLN A 8 10.831 4.833 6.557 1.00 0.00 N ATOM 0 H GLN A 8 10.919 -1.187 5.469 1.00 0.00 H new ATOM 0 HA GLN A 8 8.890 0.853 6.221 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.172 0.462 7.444 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.864 1.248 6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.565 2.718 7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.846 2.503 8.307 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.898 4.954 6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.314 5.627 6.137 1.00 0.00 H new ATOM 132 N VAL A 9 8.980 2.092 4.058 1.00 0.00 N ATOM 133 CA VAL A 9 8.926 2.653 2.718 1.00 0.00 C ATOM 134 C VAL A 9 10.168 3.497 2.462 1.00 0.00 C ATOM 135 O VAL A 9 10.668 4.194 3.346 1.00 0.00 O ATOM 136 CB VAL A 9 7.646 3.481 2.459 1.00 0.00 C ATOM 137 CG1 VAL A 9 7.817 4.894 2.912 1.00 0.00 C ATOM 138 CG2 VAL A 9 7.261 3.430 0.991 1.00 0.00 C ATOM 0 H VAL A 9 8.294 2.469 4.713 1.00 0.00 H new ATOM 0 HA VAL A 9 8.897 1.816 2.021 1.00 0.00 H new ATOM 0 HB VAL A 9 6.838 3.039 3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.901 5.452 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.031 4.910 3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.644 5.353 2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.358 4.019 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.072 3.838 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.076 2.396 0.699 1.00 0.00 H new ATOM 148 N GLN A 10 10.666 3.398 1.252 1.00 0.00 N ATOM 149 CA GLN A 10 11.937 3.990 0.894 1.00 0.00 C ATOM 150 C GLN A 10 11.773 5.120 -0.115 1.00 0.00 C ATOM 151 O GLN A 10 12.305 6.215 0.071 1.00 0.00 O ATOM 152 CB GLN A 10 12.836 2.884 0.360 1.00 0.00 C ATOM 153 CG GLN A 10 13.440 2.055 1.464 1.00 0.00 C ATOM 154 CD GLN A 10 14.532 2.763 2.258 1.00 0.00 C ATOM 155 OE1 GLN A 10 14.439 4.076 2.398 1.00 0.00 O flip ATOM 156 NE2 GLN A 10 15.453 2.121 2.760 1.00 0.00 N flip ATOM 0 H GLN A 10 10.204 2.906 0.488 1.00 0.00 H new ATOM 0 HA GLN A 10 12.392 4.443 1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.260 2.238 -0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.633 3.324 -0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.648 1.752 2.149 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.854 1.144 1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.497 1.110 2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.172 2.600 3.302 1.00 0.00 H new ATOM 165 N SER A 11 11.036 4.849 -1.173 1.00 0.00 N ATOM 166 CA SER A 11 10.804 5.816 -2.235 1.00 0.00 C ATOM 167 C SER A 11 9.567 5.428 -3.025 1.00 0.00 C ATOM 168 O SER A 11 9.132 4.274 -2.969 1.00 0.00 O ATOM 169 CB SER A 11 12.023 5.890 -3.153 1.00 0.00 C ATOM 170 OG SER A 11 13.069 6.643 -2.561 1.00 0.00 O ATOM 0 H SER A 11 10.578 3.950 -1.324 1.00 0.00 H new ATOM 0 HA SER A 11 10.643 6.800 -1.794 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.377 4.883 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.739 6.343 -4.103 1.00 0.00 H new ATOM 0 HG SER A 11 12.907 6.727 -1.598 1.00 0.00 H new ATOM 176 N GLN A 12 8.982 6.380 -3.734 1.00 0.00 N ATOM 177 CA GLN A 12 7.795 6.099 -4.526 1.00 0.00 C ATOM 178 C GLN A 12 7.802 6.851 -5.844 1.00 0.00 C ATOM 179 O GLN A 12 8.427 7.903 -5.982 1.00 0.00 O ATOM 180 CB GLN A 12 6.526 6.450 -3.753 1.00 0.00 C ATOM 181 CG GLN A 12 6.328 5.611 -2.503 1.00 0.00 C ATOM 182 CD GLN A 12 6.085 6.450 -1.271 1.00 0.00 C ATOM 183 OE1 GLN A 12 4.943 6.723 -0.907 1.00 0.00 O ATOM 184 NE2 GLN A 12 7.165 6.880 -0.635 1.00 0.00 N ATOM 0 H GLN A 12 9.306 7.346 -3.778 1.00 0.00 H new ATOM 0 HA GLN A 12 7.807 5.030 -4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.560 7.503 -3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.664 6.322 -4.408 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.483 4.938 -2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.208 4.988 -2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.092 6.627 -0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.069 7.464 0.195 1.00 0.00 H new ATOM 193 N GLU A 13 7.111 6.274 -6.800 1.00 0.00 N ATOM 194 CA GLU A 13 6.870 6.881 -8.092 1.00 0.00 C ATOM 195 C GLU A 13 5.544 7.599 -8.077 1.00 0.00 C ATOM 196 O GLU A 13 4.565 7.077 -7.532 1.00 0.00 O ATOM 197 CB GLU A 13 6.853 5.802 -9.155 1.00 0.00 C ATOM 198 CG GLU A 13 8.221 5.436 -9.702 1.00 0.00 C ATOM 199 CD GLU A 13 9.204 5.001 -8.631 1.00 0.00 C ATOM 200 OE1 GLU A 13 9.170 3.821 -8.238 1.00 0.00 O ATOM 201 OE2 GLU A 13 10.015 5.840 -8.182 1.00 0.00 O ATOM 0 H GLU A 13 6.691 5.350 -6.701 1.00 0.00 H new ATOM 0 HA GLU A 13 7.662 7.598 -8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.391 4.907 -8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.222 6.132 -9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.109 4.632 -10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.632 6.294 -10.235 1.00 0.00 H new ATOM 208 N ASN A 14 5.519 8.793 -8.658 1.00 0.00 N ATOM 209 CA ASN A 14 4.299 9.576 -8.755 1.00 0.00 C ATOM 210 C ASN A 14 3.885 10.095 -7.384 1.00 0.00 C ATOM 211 O ASN A 14 4.259 11.191 -7.022 1.00 0.00 O ATOM 212 CB ASN A 14 3.182 8.738 -9.394 1.00 0.00 C ATOM 213 CG ASN A 14 3.351 8.609 -10.896 1.00 0.00 C ATOM 214 OD1 ASN A 14 2.262 8.331 -11.590 1.00 0.00 O flip ATOM 215 ND2 ASN A 14 4.452 8.735 -11.424 1.00 0.00 N flip ATOM 0 H ASN A 14 6.338 9.240 -9.071 1.00 0.00 H new ATOM 0 HA ASN A 14 4.484 10.439 -9.394 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.172 7.745 -8.944 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.217 9.196 -9.177 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.270 8.950 -10.853 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.549 8.625 -12.433 1.00 0.00 H new ATOM 222 N PHE A 15 3.190 9.251 -6.619 1.00 0.00 N ATOM 223 CA PHE A 15 2.583 9.572 -5.309 1.00 0.00 C ATOM 224 C PHE A 15 2.002 10.981 -5.259 1.00 0.00 C ATOM 225 O PHE A 15 1.898 11.595 -4.203 1.00 0.00 O ATOM 226 CB PHE A 15 3.593 9.350 -4.170 1.00 0.00 C ATOM 227 CG PHE A 15 4.855 10.170 -4.265 1.00 0.00 C ATOM 228 CD1 PHE A 15 5.949 9.696 -4.964 1.00 0.00 C ATOM 229 CD2 PHE A 15 4.947 11.407 -3.650 1.00 0.00 C ATOM 230 CE1 PHE A 15 7.110 10.439 -5.053 1.00 0.00 C ATOM 231 CE2 PHE A 15 6.105 12.153 -3.737 1.00 0.00 C ATOM 232 CZ PHE A 15 7.188 11.669 -4.438 1.00 0.00 C ATOM 0 H PHE A 15 3.023 8.284 -6.899 1.00 0.00 H new ATOM 0 HA PHE A 15 1.747 8.886 -5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.103 9.574 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.865 8.295 -4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.895 8.732 -5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.104 11.792 -3.096 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.956 10.056 -5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.162 13.118 -3.255 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.095 12.252 -4.505 1.00 0.00 H new ATOM 242 N GLU A 16 1.572 11.443 -6.416 1.00 0.00 N ATOM 243 CA GLU A 16 1.132 12.813 -6.610 1.00 0.00 C ATOM 244 C GLU A 16 -0.015 12.866 -7.606 1.00 0.00 C ATOM 245 O GLU A 16 -1.042 13.469 -7.329 1.00 0.00 O ATOM 246 CB GLU A 16 2.314 13.641 -7.074 1.00 0.00 C ATOM 247 CG GLU A 16 3.406 13.673 -6.052 1.00 0.00 C ATOM 248 CD GLU A 16 4.533 14.626 -6.396 1.00 0.00 C ATOM 249 OE1 GLU A 16 5.376 14.277 -7.254 1.00 0.00 O ATOM 250 OE2 GLU A 16 4.588 15.728 -5.819 1.00 0.00 O ATOM 0 H GLU A 16 1.517 10.872 -7.259 1.00 0.00 H new ATOM 0 HA GLU A 16 0.760 13.224 -5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.701 13.231 -8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.984 14.658 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.982 13.958 -5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.813 12.669 -5.937 1.00 0.00 H new ATOM 257 N PRO A 17 0.100 12.197 -8.766 1.00 0.00 N ATOM 258 CA PRO A 17 -1.033 12.045 -9.645 1.00 0.00 C ATOM 259 C PRO A 17 -1.952 10.990 -9.082 1.00 0.00 C ATOM 260 O PRO A 17 -3.153 10.973 -9.334 1.00 0.00 O ATOM 261 CB PRO A 17 -0.444 11.607 -10.960 1.00 0.00 C ATOM 262 CG PRO A 17 0.846 10.970 -10.623 1.00 0.00 C ATOM 263 CD PRO A 17 1.296 11.529 -9.301 1.00 0.00 C ATOM 0 HA PRO A 17 -1.618 12.958 -9.758 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.105 10.908 -11.472 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.300 12.456 -11.628 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.735 9.887 -10.563 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.587 11.172 -11.397 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.644 10.741 -8.633 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.122 12.230 -9.425 1.00 0.00 H new ATOM 271 N PHE A 18 -1.348 10.110 -8.301 1.00 0.00 N ATOM 272 CA PHE A 18 -2.065 9.081 -7.595 1.00 0.00 C ATOM 273 C PHE A 18 -2.947 9.721 -6.555 1.00 0.00 C ATOM 274 O PHE A 18 -4.142 9.478 -6.509 1.00 0.00 O ATOM 275 CB PHE A 18 -1.076 8.133 -6.921 1.00 0.00 C ATOM 276 CG PHE A 18 -1.723 6.904 -6.360 1.00 0.00 C ATOM 277 CD1 PHE A 18 -2.314 6.914 -5.106 1.00 0.00 C ATOM 278 CD2 PHE A 18 -1.744 5.748 -7.093 1.00 0.00 C ATOM 279 CE1 PHE A 18 -2.916 5.781 -4.606 1.00 0.00 C ATOM 280 CE2 PHE A 18 -2.345 4.609 -6.605 1.00 0.00 C ATOM 281 CZ PHE A 18 -2.930 4.625 -5.356 1.00 0.00 C ATOM 0 H PHE A 18 -0.340 10.096 -8.143 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.678 8.514 -8.296 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.316 7.837 -7.644 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.563 8.664 -6.119 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.302 7.819 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.282 5.729 -8.069 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.376 5.798 -3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.358 3.707 -7.198 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.398 3.733 -4.966 1.00 0.00 H new ATOM 291 N MET A 19 -2.330 10.558 -5.740 1.00 0.00 N ATOM 292 CA MET A 19 -3.051 11.314 -4.723 1.00 0.00 C ATOM 293 C MET A 19 -4.029 12.273 -5.379 1.00 0.00 C ATOM 294 O MET A 19 -5.128 12.462 -4.880 1.00 0.00 O ATOM 295 CB MET A 19 -2.086 12.104 -3.829 1.00 0.00 C ATOM 296 CG MET A 19 -0.999 11.270 -3.176 1.00 0.00 C ATOM 297 SD MET A 19 -1.621 9.785 -2.367 1.00 0.00 S ATOM 298 CE MET A 19 -0.080 9.027 -1.859 1.00 0.00 C ATOM 0 H MET A 19 -1.326 10.734 -5.761 1.00 0.00 H new ATOM 0 HA MET A 19 -3.595 10.602 -4.103 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.616 12.885 -4.426 1.00 0.00 H new ATOM 0 HB3 MET A 19 -2.661 12.602 -3.048 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.268 10.983 -3.932 1.00 0.00 H new ATOM 0 HG3 MET A 19 -0.474 11.882 -2.442 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.288 8.091 -1.340 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.533 8.826 -2.737 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.454 9.702 -1.190 1.00 0.00 H new ATOM 308 N LYS A 20 -3.640 12.866 -6.505 1.00 0.00 N ATOM 309 CA LYS A 20 -4.494 13.844 -7.162 1.00 0.00 C ATOM 310 C LYS A 20 -5.749 13.166 -7.703 1.00 0.00 C ATOM 311 O LYS A 20 -6.848 13.719 -7.642 1.00 0.00 O ATOM 312 CB LYS A 20 -3.740 14.598 -8.271 1.00 0.00 C ATOM 313 CG LYS A 20 -3.926 14.080 -9.687 1.00 0.00 C ATOM 314 CD LYS A 20 -3.224 15.009 -10.651 1.00 0.00 C ATOM 315 CE LYS A 20 -2.762 14.269 -11.877 1.00 0.00 C ATOM 316 NZ LYS A 20 -3.887 13.904 -12.776 1.00 0.00 N ATOM 0 H LYS A 20 -2.752 12.688 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.795 14.586 -6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.051 15.643 -8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.676 14.576 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.521 13.072 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.987 14.020 -9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.899 15.814 -10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.369 15.472 -10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.049 14.887 -12.424 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.234 13.365 -11.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.518 13.397 -13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.555 13.293 -12.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.376 14.767 -13.088 1.00 0.00 H new ATOM 330 N ALA A 21 -5.565 11.965 -8.234 1.00 0.00 N ATOM 331 CA ALA A 21 -6.669 11.130 -8.684 1.00 0.00 C ATOM 332 C ALA A 21 -7.441 10.576 -7.491 1.00 0.00 C ATOM 333 O ALA A 21 -8.615 10.223 -7.588 1.00 0.00 O ATOM 334 CB ALA A 21 -6.137 9.998 -9.544 1.00 0.00 C ATOM 0 H ALA A 21 -4.646 11.543 -8.365 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.352 11.737 -9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.966 9.375 -9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.620 10.411 -10.410 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.442 9.394 -8.961 1.00 0.00 H new ATOM 340 N MET A 22 -6.742 10.506 -6.369 1.00 0.00 N ATOM 341 CA MET A 22 -7.256 9.925 -5.141 1.00 0.00 C ATOM 342 C MET A 22 -8.112 10.922 -4.352 1.00 0.00 C ATOM 343 O MET A 22 -9.226 10.598 -3.941 1.00 0.00 O ATOM 344 CB MET A 22 -6.068 9.414 -4.317 1.00 0.00 C ATOM 345 CG MET A 22 -6.394 9.053 -2.895 1.00 0.00 C ATOM 346 SD MET A 22 -7.736 7.854 -2.760 1.00 0.00 S ATOM 347 CE MET A 22 -7.054 6.472 -3.677 1.00 0.00 C ATOM 0 H MET A 22 -5.788 10.857 -6.286 1.00 0.00 H new ATOM 0 HA MET A 22 -7.918 9.093 -5.381 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.651 8.537 -4.813 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.291 10.178 -4.314 1.00 0.00 H new ATOM 0 HG2 MET A 22 -5.503 8.648 -2.416 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.666 9.957 -2.350 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.655 5.581 -3.493 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.064 6.702 -4.742 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.029 6.292 -3.354 1.00 0.00 H new ATOM 357 N GLY A 23 -7.602 12.128 -4.156 1.00 0.00 N ATOM 358 CA GLY A 23 -8.333 13.132 -3.421 1.00 0.00 C ATOM 359 C GLY A 23 -7.450 14.286 -2.989 1.00 0.00 C ATOM 360 O GLY A 23 -7.866 15.443 -3.029 1.00 0.00 O ATOM 0 H GLY A 23 -6.689 12.428 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.146 13.512 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.787 12.676 -2.541 1.00 0.00 H new ATOM 364 N LEU A 24 -6.224 13.969 -2.600 1.00 0.00 N ATOM 365 CA LEU A 24 -5.271 14.961 -2.149 1.00 0.00 C ATOM 366 C LEU A 24 -4.685 15.693 -3.351 1.00 0.00 C ATOM 367 O LEU A 24 -4.246 15.058 -4.304 1.00 0.00 O ATOM 368 CB LEU A 24 -4.166 14.238 -1.385 1.00 0.00 C ATOM 369 CG LEU A 24 -3.147 15.124 -0.694 1.00 0.00 C ATOM 370 CD1 LEU A 24 -3.727 15.654 0.592 1.00 0.00 C ATOM 371 CD2 LEU A 24 -1.865 14.357 -0.454 1.00 0.00 C ATOM 0 H LEU A 24 -5.866 13.014 -2.590 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.756 15.693 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.629 13.597 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.638 13.585 -2.080 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.906 15.973 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.993 16.290 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.623 16.235 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.984 14.821 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.142 15.004 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.071 13.492 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.457 14.022 -1.408 1.00 0.00 H new ATOM 383 N PRO A 25 -4.652 17.029 -3.340 1.00 0.00 N ATOM 384 CA PRO A 25 -4.135 17.785 -4.468 1.00 0.00 C ATOM 385 C PRO A 25 -2.620 17.806 -4.465 1.00 0.00 C ATOM 386 O PRO A 25 -2.013 17.708 -3.395 1.00 0.00 O ATOM 387 CB PRO A 25 -4.694 19.176 -4.235 1.00 0.00 C ATOM 388 CG PRO A 25 -4.735 19.292 -2.765 1.00 0.00 C ATOM 389 CD PRO A 25 -5.057 17.918 -2.235 1.00 0.00 C ATOM 0 HA PRO A 25 -4.420 17.361 -5.431 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.060 19.943 -4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.685 19.288 -4.674 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -3.779 19.643 -2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.490 20.014 -2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.506 17.700 -1.320 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.117 17.814 -2.002 1.00 0.00 H new ATOM 397 N GLU A 26 -2.004 17.923 -5.634 1.00 0.00 N ATOM 398 CA GLU A 26 -0.553 17.929 -5.725 1.00 0.00 C ATOM 399 C GLU A 26 0.044 18.925 -4.760 1.00 0.00 C ATOM 400 O GLU A 26 1.010 18.603 -4.111 1.00 0.00 O ATOM 401 CB GLU A 26 -0.093 18.244 -7.136 1.00 0.00 C ATOM 402 CG GLU A 26 1.296 17.716 -7.451 1.00 0.00 C ATOM 403 CD GLU A 26 1.754 18.068 -8.850 1.00 0.00 C ATOM 404 OE1 GLU A 26 1.380 17.353 -9.802 1.00 0.00 O ATOM 405 OE2 GLU A 26 2.490 19.064 -9.004 1.00 0.00 O ATOM 0 H GLU A 26 -2.486 18.015 -6.528 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.206 16.930 -5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.804 17.820 -7.845 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.104 19.324 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.006 18.120 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.303 16.632 -7.333 1.00 0.00 H new ATOM 412 N ASP A 27 -0.561 20.096 -4.609 1.00 0.00 N ATOM 413 CA ASP A 27 -0.029 21.101 -3.686 1.00 0.00 C ATOM 414 C ASP A 27 0.001 20.583 -2.252 1.00 0.00 C ATOM 415 O ASP A 27 0.933 20.869 -1.528 1.00 0.00 O ATOM 416 CB ASP A 27 -0.829 22.405 -3.744 1.00 0.00 C ATOM 417 CG ASP A 27 -2.293 22.222 -3.407 1.00 0.00 C ATOM 418 OD1 ASP A 27 -3.090 21.962 -4.326 1.00 0.00 O ATOM 419 OD2 ASP A 27 -2.657 22.342 -2.220 1.00 0.00 O ATOM 0 H ASP A 27 -1.408 20.375 -5.104 1.00 0.00 H new ATOM 0 HA ASP A 27 0.992 21.306 -4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.391 23.124 -3.052 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.743 22.832 -4.743 1.00 0.00 H new ATOM 424 N LEU A 28 -0.979 19.798 -1.844 1.00 0.00 N ATOM 425 CA LEU A 28 -0.923 19.206 -0.505 1.00 0.00 C ATOM 426 C LEU A 28 0.140 18.125 -0.479 1.00 0.00 C ATOM 427 O LEU A 28 0.852 17.952 0.512 1.00 0.00 O ATOM 428 CB LEU A 28 -2.269 18.627 -0.083 1.00 0.00 C ATOM 429 CG LEU A 28 -3.310 19.643 0.263 1.00 0.00 C ATOM 430 CD1 LEU A 28 -4.519 18.969 0.863 1.00 0.00 C ATOM 431 CD2 LEU A 28 -2.745 20.650 1.210 1.00 0.00 C ATOM 0 H LEU A 28 -1.803 19.556 -2.395 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.671 19.994 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.648 18.000 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.115 17.978 0.779 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.621 20.157 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.269 19.720 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.936 18.263 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.227 18.436 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.510 21.386 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.416 20.149 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.896 21.151 0.745 1.00 0.00 H new ATOM 443 N ILE A 29 0.234 17.412 -1.589 1.00 0.00 N ATOM 444 CA ILE A 29 1.268 16.419 -1.789 1.00 0.00 C ATOM 445 C ILE A 29 2.655 17.049 -1.764 1.00 0.00 C ATOM 446 O ILE A 29 3.534 16.554 -1.114 1.00 0.00 O ATOM 447 CB ILE A 29 1.090 15.719 -3.127 1.00 0.00 C ATOM 448 CG1 ILE A 29 -0.315 15.186 -3.260 1.00 0.00 C ATOM 449 CG2 ILE A 29 2.070 14.587 -3.242 1.00 0.00 C ATOM 450 CD1 ILE A 29 -0.694 14.870 -4.668 1.00 0.00 C ATOM 0 H ILE A 29 -0.407 17.508 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 29 1.179 15.701 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 29 1.270 16.440 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.414 14.286 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.014 15.919 -2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.939 14.088 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.086 14.976 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.898 13.873 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.716 14.491 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.627 15.773 -5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.017 14.114 -5.066 1.00 0.00 H new ATOM 462 N GLN A 30 2.807 18.180 -2.427 1.00 0.00 N ATOM 463 CA GLN A 30 4.095 18.860 -2.582 1.00 0.00 C ATOM 464 C GLN A 30 4.803 19.030 -1.260 1.00 0.00 C ATOM 465 O GLN A 30 5.987 18.729 -1.108 1.00 0.00 O ATOM 466 CB GLN A 30 3.832 20.259 -3.093 1.00 0.00 C ATOM 467 CG GLN A 30 3.158 20.324 -4.414 1.00 0.00 C ATOM 468 CD GLN A 30 4.011 19.796 -5.545 1.00 0.00 C ATOM 469 OE1 GLN A 30 3.945 18.493 -5.765 1.00 0.00 O flip ATOM 470 NE2 GLN A 30 4.734 20.544 -6.201 1.00 0.00 N flip ATOM 0 H GLN A 30 2.034 18.665 -2.882 1.00 0.00 H new ATOM 0 HA GLN A 30 4.706 18.260 -3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.220 20.788 -2.362 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.781 20.791 -3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.231 19.753 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.886 21.358 -4.625 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.753 21.543 -5.997 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.314 20.165 -6.949 1.00 0.00 H new ATOM 479 N LYS A 31 4.049 19.535 -0.321 1.00 0.00 N ATOM 480 CA LYS A 31 4.560 19.869 0.991 1.00 0.00 C ATOM 481 C LYS A 31 4.875 18.615 1.782 1.00 0.00 C ATOM 482 O LYS A 31 5.781 18.597 2.615 1.00 0.00 O ATOM 483 CB LYS A 31 3.571 20.751 1.726 1.00 0.00 C ATOM 484 CG LYS A 31 3.513 22.176 1.160 1.00 0.00 C ATOM 485 CD LYS A 31 2.990 22.189 -0.266 1.00 0.00 C ATOM 486 CE LYS A 31 3.309 23.457 -1.035 1.00 0.00 C ATOM 487 NZ LYS A 31 4.755 23.802 -0.974 1.00 0.00 N ATOM 0 H LYS A 31 3.055 19.730 -0.441 1.00 0.00 H new ATOM 0 HA LYS A 31 5.491 20.424 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.579 20.302 1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.843 20.794 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.871 22.793 1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.508 22.620 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.409 21.337 -0.802 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.909 22.052 -0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.010 23.334 -2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.723 24.282 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.069 24.148 -1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.905 24.543 -0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.303 22.956 -0.717 1.00 0.00 H new ATOM 501 N GLY A 32 4.126 17.563 1.505 1.00 0.00 N ATOM 502 CA GLY A 32 4.271 16.350 2.256 1.00 0.00 C ATOM 503 C GLY A 32 4.546 15.140 1.379 1.00 0.00 C ATOM 504 O GLY A 32 4.115 14.032 1.692 1.00 0.00 O ATOM 0 H GLY A 32 3.419 17.533 0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.085 16.467 2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.363 16.175 2.833 1.00 0.00 H new ATOM 508 N LYS A 33 5.250 15.345 0.274 1.00 0.00 N ATOM 509 CA LYS A 33 5.354 14.320 -0.759 1.00 0.00 C ATOM 510 C LYS A 33 6.359 13.233 -0.405 1.00 0.00 C ATOM 511 O LYS A 33 6.115 12.046 -0.606 1.00 0.00 O ATOM 512 CB LYS A 33 5.762 14.972 -2.071 1.00 0.00 C ATOM 513 CG LYS A 33 7.025 15.767 -1.959 1.00 0.00 C ATOM 514 CD LYS A 33 7.349 16.502 -3.235 1.00 0.00 C ATOM 515 CE LYS A 33 7.805 15.562 -4.344 1.00 0.00 C ATOM 516 NZ LYS A 33 9.021 14.796 -3.962 1.00 0.00 N ATOM 0 H LYS A 33 5.756 16.207 0.069 1.00 0.00 H new ATOM 0 HA LYS A 33 4.377 13.845 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.891 14.200 -2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.958 15.624 -2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.931 16.483 -1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.850 15.102 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.469 17.053 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.130 17.237 -3.040 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.000 14.868 -4.584 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.009 16.138 -5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.471 14.411 -4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.688 15.426 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.755 14.015 -3.329 1.00 0.00 H new ATOM 530 N ASP A 34 7.483 13.652 0.147 1.00 0.00 N ATOM 531 CA ASP A 34 8.621 12.761 0.313 1.00 0.00 C ATOM 532 C ASP A 34 8.756 12.321 1.766 1.00 0.00 C ATOM 533 O ASP A 34 9.804 12.477 2.394 1.00 0.00 O ATOM 534 CB ASP A 34 9.904 13.451 -0.172 1.00 0.00 C ATOM 535 CG ASP A 34 11.095 12.512 -0.234 1.00 0.00 C ATOM 536 OD1 ASP A 34 10.984 11.438 -0.859 1.00 0.00 O ATOM 537 OD2 ASP A 34 12.154 12.850 0.340 1.00 0.00 O ATOM 0 H ASP A 34 7.634 14.601 0.488 1.00 0.00 H new ATOM 0 HA ASP A 34 8.457 11.869 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.730 13.875 -1.161 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.137 14.282 0.494 1.00 0.00 H new ATOM 542 N ILE A 35 7.667 11.800 2.306 1.00 0.00 N ATOM 543 CA ILE A 35 7.656 11.284 3.660 1.00 0.00 C ATOM 544 C ILE A 35 7.956 9.788 3.668 1.00 0.00 C ATOM 545 O ILE A 35 7.364 9.020 2.908 1.00 0.00 O ATOM 546 CB ILE A 35 6.300 11.549 4.333 1.00 0.00 C ATOM 547 CG1 ILE A 35 5.953 13.025 4.211 1.00 0.00 C ATOM 548 CG2 ILE A 35 6.347 11.156 5.801 1.00 0.00 C ATOM 549 CD1 ILE A 35 6.993 13.896 4.837 1.00 0.00 C ATOM 0 H ILE A 35 6.773 11.724 1.821 1.00 0.00 H new ATOM 0 HA ILE A 35 8.433 11.802 4.223 1.00 0.00 H new ATOM 0 HB ILE A 35 5.538 10.949 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.846 13.287 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.990 13.212 4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.378 11.351 6.261 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.583 10.095 5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.114 11.740 6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.706 14.942 4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.082 13.653 5.896 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.951 13.729 4.345 1.00 0.00 H new ATOM 561 N LYS A 36 8.880 9.380 4.524 1.00 0.00 N ATOM 562 CA LYS A 36 9.269 7.983 4.613 1.00 0.00 C ATOM 563 C LYS A 36 8.555 7.313 5.777 1.00 0.00 C ATOM 564 O LYS A 36 8.974 7.422 6.931 1.00 0.00 O ATOM 565 CB LYS A 36 10.781 7.865 4.777 1.00 0.00 C ATOM 566 CG LYS A 36 11.559 8.486 3.630 1.00 0.00 C ATOM 567 CD LYS A 36 13.056 8.272 3.778 1.00 0.00 C ATOM 568 CE LYS A 36 13.656 9.101 4.911 1.00 0.00 C ATOM 569 NZ LYS A 36 13.337 8.550 6.256 1.00 0.00 N ATOM 0 H LYS A 36 9.374 9.998 5.167 1.00 0.00 H new ATOM 0 HA LYS A 36 8.980 7.479 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.077 8.345 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.049 6.812 4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.222 8.054 2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.348 9.554 3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.252 7.216 3.962 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.551 8.530 2.842 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.738 9.147 4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.284 10.123 4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.195 8.550 6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.608 9.138 6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.985 7.576 6.158 1.00 0.00 H new ATOM 583 N GLY A 37 7.476 6.621 5.464 1.00 0.00 N ATOM 584 CA GLY A 37 6.698 5.956 6.483 1.00 0.00 C ATOM 585 C GLY A 37 7.144 4.529 6.716 1.00 0.00 C ATOM 586 O GLY A 37 8.034 4.029 6.030 1.00 0.00 O ATOM 0 H GLY A 37 7.122 6.507 4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.775 6.514 7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.647 5.962 6.194 1.00 0.00 H new ATOM 590 N VAL A 38 6.517 3.861 7.673 1.00 0.00 N ATOM 591 CA VAL A 38 6.917 2.510 8.047 1.00 0.00 C ATOM 592 C VAL A 38 5.736 1.563 7.889 1.00 0.00 C ATOM 593 O VAL A 38 4.589 1.988 8.007 1.00 0.00 O ATOM 594 CB VAL A 38 7.428 2.462 9.502 1.00 0.00 C ATOM 595 CG1 VAL A 38 8.153 1.158 9.778 1.00 0.00 C ATOM 596 CG2 VAL A 38 8.326 3.643 9.788 1.00 0.00 C ATOM 0 H VAL A 38 5.729 4.231 8.205 1.00 0.00 H new ATOM 0 HA VAL A 38 7.729 2.201 7.389 1.00 0.00 H new ATOM 0 HB VAL A 38 6.566 2.516 10.167 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.504 1.148 10.810 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.472 0.322 9.618 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.005 1.066 9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.677 3.592 10.819 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.181 3.622 9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.769 4.568 9.640 1.00 0.00 H new ATOM 606 N SER A 39 6.005 0.300 7.593 1.00 0.00 N ATOM 607 CA SER A 39 4.942 -0.667 7.371 1.00 0.00 C ATOM 608 C SER A 39 5.191 -1.963 8.145 1.00 0.00 C ATOM 609 O SER A 39 6.274 -2.523 8.094 1.00 0.00 O ATOM 610 CB SER A 39 4.821 -0.958 5.875 1.00 0.00 C ATOM 611 OG SER A 39 4.788 0.254 5.136 1.00 0.00 O ATOM 0 H SER A 39 6.948 -0.078 7.501 1.00 0.00 H new ATOM 0 HA SER A 39 4.008 -0.240 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.663 -1.568 5.548 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.916 -1.534 5.682 1.00 0.00 H new ATOM 0 HG SER A 39 5.676 0.433 4.761 1.00 0.00 H new ATOM 617 N GLU A 40 4.185 -2.416 8.876 1.00 0.00 N ATOM 618 CA GLU A 40 4.240 -3.699 9.564 1.00 0.00 C ATOM 619 C GLU A 40 3.092 -4.586 9.127 1.00 0.00 C ATOM 620 O GLU A 40 1.984 -4.129 8.954 1.00 0.00 O ATOM 621 CB GLU A 40 4.174 -3.527 11.069 1.00 0.00 C ATOM 622 CG GLU A 40 5.453 -3.112 11.697 1.00 0.00 C ATOM 623 CD GLU A 40 5.571 -1.624 11.910 1.00 0.00 C ATOM 624 OE1 GLU A 40 4.597 -1.009 12.390 1.00 0.00 O ATOM 625 OE2 GLU A 40 6.650 -1.065 11.621 1.00 0.00 O ATOM 0 H GLU A 40 3.310 -1.908 9.010 1.00 0.00 H new ATOM 0 HA GLU A 40 5.191 -4.162 9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.411 -2.785 11.304 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.853 -4.468 11.516 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.556 -3.617 12.658 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.280 -3.447 11.071 1.00 0.00 H new ATOM 632 N ILE A 41 3.362 -5.849 8.954 1.00 0.00 N ATOM 633 CA ILE A 41 2.361 -6.781 8.455 1.00 0.00 C ATOM 634 C ILE A 41 2.272 -8.021 9.336 1.00 0.00 C ATOM 635 O ILE A 41 3.272 -8.451 9.901 1.00 0.00 O ATOM 636 CB ILE A 41 2.647 -7.194 6.998 1.00 0.00 C ATOM 637 CG1 ILE A 41 2.652 -5.963 6.099 1.00 0.00 C ATOM 638 CG2 ILE A 41 1.607 -8.191 6.508 1.00 0.00 C ATOM 639 CD1 ILE A 41 3.328 -6.214 4.777 1.00 0.00 C ATOM 0 H ILE A 41 4.270 -6.270 9.150 1.00 0.00 H new ATOM 0 HA ILE A 41 1.403 -6.262 8.484 1.00 0.00 H new ATOM 0 HB ILE A 41 3.627 -7.670 6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.625 -5.642 5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.158 -5.145 6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.827 -8.470 5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.631 -9.081 7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.617 -7.738 6.558 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.303 -5.304 4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.364 -6.507 4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.807 -7.012 4.248 1.00 0.00 H new ATOM 651 N VAL A 42 1.062 -8.522 9.535 1.00 0.00 N ATOM 652 CA VAL A 42 0.862 -9.852 10.107 1.00 0.00 C ATOM 653 C VAL A 42 0.351 -10.820 9.025 1.00 0.00 C ATOM 654 O VAL A 42 -0.719 -10.599 8.456 1.00 0.00 O ATOM 655 CB VAL A 42 -0.131 -9.817 11.286 1.00 0.00 C ATOM 656 CG1 VAL A 42 -0.396 -11.219 11.817 1.00 0.00 C ATOM 657 CG2 VAL A 42 0.407 -8.924 12.390 1.00 0.00 C ATOM 0 H VAL A 42 0.199 -8.028 9.309 1.00 0.00 H new ATOM 0 HA VAL A 42 1.823 -10.200 10.485 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.077 -9.409 10.929 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.099 -11.166 12.648 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.818 -11.835 11.023 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.539 -11.661 12.161 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.300 -8.904 13.219 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.364 -9.312 12.738 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.544 -7.913 12.006 1.00 0.00 H new ATOM 667 N HIS A 43 1.118 -11.872 8.723 1.00 0.00 N ATOM 668 CA HIS A 43 0.706 -12.846 7.714 1.00 0.00 C ATOM 669 C HIS A 43 0.012 -14.030 8.369 1.00 0.00 C ATOM 670 O HIS A 43 0.611 -14.779 9.140 1.00 0.00 O ATOM 671 CB HIS A 43 1.905 -13.355 6.883 1.00 0.00 C ATOM 672 CG HIS A 43 1.519 -14.311 5.783 1.00 0.00 C ATOM 673 ND1 HIS A 43 2.355 -15.305 5.316 1.00 0.00 N ATOM 674 CD2 HIS A 43 0.382 -14.411 5.049 1.00 0.00 C ATOM 675 CE1 HIS A 43 1.750 -15.970 4.349 1.00 0.00 C ATOM 676 NE2 HIS A 43 0.553 -15.448 4.166 1.00 0.00 N ATOM 0 H HIS A 43 2.019 -12.068 9.159 1.00 0.00 H new ATOM 0 HA HIS A 43 0.014 -12.338 7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.421 -12.500 6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.614 -13.848 7.549 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.496 -13.789 5.142 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.166 -16.802 3.800 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.133 -15.763 3.481 1.00 0.00 H new ATOM 685 N GLU A 44 -1.260 -14.167 8.049 1.00 0.00 N ATOM 686 CA GLU A 44 -2.071 -15.285 8.481 1.00 0.00 C ATOM 687 C GLU A 44 -2.923 -15.743 7.312 1.00 0.00 C ATOM 688 O GLU A 44 -3.298 -14.919 6.481 1.00 0.00 O ATOM 689 CB GLU A 44 -2.951 -14.911 9.665 1.00 0.00 C ATOM 690 CG GLU A 44 -2.172 -14.609 10.923 1.00 0.00 C ATOM 691 CD GLU A 44 -3.055 -14.511 12.141 1.00 0.00 C ATOM 692 OE1 GLU A 44 -3.527 -15.562 12.626 1.00 0.00 O ATOM 693 OE2 GLU A 44 -3.291 -13.383 12.620 1.00 0.00 O ATOM 0 H GLU A 44 -1.765 -13.494 7.473 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.417 -16.093 8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.551 -14.040 9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.645 -15.728 9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.427 -15.389 11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.631 -13.672 10.795 1.00 0.00 H new ATOM 700 N GLY A 45 -3.125 -17.056 7.199 1.00 0.00 N ATOM 701 CA GLY A 45 -3.966 -17.619 6.150 1.00 0.00 C ATOM 702 C GLY A 45 -5.176 -16.756 5.837 1.00 0.00 C ATOM 703 O GLY A 45 -6.110 -16.659 6.635 1.00 0.00 O ATOM 0 H GLY A 45 -2.715 -17.749 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.373 -17.746 5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.302 -18.611 6.453 1.00 0.00 H new ATOM 707 N LYS A 46 -5.118 -16.117 4.669 1.00 0.00 N ATOM 708 CA LYS A 46 -6.120 -15.156 4.187 1.00 0.00 C ATOM 709 C LYS A 46 -6.086 -13.827 4.940 1.00 0.00 C ATOM 710 O LYS A 46 -6.241 -12.771 4.329 1.00 0.00 O ATOM 711 CB LYS A 46 -7.547 -15.688 4.193 1.00 0.00 C ATOM 712 CG LYS A 46 -7.685 -17.144 3.820 1.00 0.00 C ATOM 713 CD LYS A 46 -9.137 -17.513 3.573 1.00 0.00 C ATOM 714 CE LYS A 46 -9.942 -17.421 4.854 1.00 0.00 C ATOM 715 NZ LYS A 46 -11.212 -16.663 4.669 1.00 0.00 N ATOM 0 H LYS A 46 -4.352 -16.255 4.010 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.827 -14.988 3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.970 -15.541 5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.144 -15.093 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.098 -17.350 2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.280 -17.766 4.618 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.563 -16.848 2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.197 -18.525 3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.169 -18.426 5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.341 -16.937 5.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.729 -16.626 5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.996 -15.696 4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.798 -17.138 3.953 1.00 0.00 H new ATOM 729 N LYS A 47 -5.869 -13.867 6.243 1.00 0.00 N ATOM 730 CA LYS A 47 -5.976 -12.668 7.070 1.00 0.00 C ATOM 731 C LYS A 47 -4.633 -11.950 7.163 1.00 0.00 C ATOM 732 O LYS A 47 -3.731 -12.393 7.875 1.00 0.00 O ATOM 733 CB LYS A 47 -6.428 -13.051 8.483 1.00 0.00 C ATOM 734 CG LYS A 47 -7.728 -13.812 8.550 1.00 0.00 C ATOM 735 CD LYS A 47 -8.920 -12.949 8.211 1.00 0.00 C ATOM 736 CE LYS A 47 -10.139 -13.818 8.007 1.00 0.00 C ATOM 737 NZ LYS A 47 -11.331 -13.023 7.608 1.00 0.00 N ATOM 0 H LYS A 47 -5.618 -14.713 6.755 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.706 -12.003 6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.647 -13.653 8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.525 -12.142 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.687 -14.656 7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.854 -14.223 9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.102 -12.233 9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.718 -12.372 7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.928 -14.564 7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.356 -14.359 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.044 -13.653 7.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.732 -12.555 8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.051 -12.304 6.910 1.00 0.00 H new ATOM 751 N VAL A 48 -4.513 -10.824 6.478 1.00 0.00 N ATOM 752 CA VAL A 48 -3.270 -10.068 6.480 1.00 0.00 C ATOM 753 C VAL A 48 -3.510 -8.639 6.955 1.00 0.00 C ATOM 754 O VAL A 48 -4.343 -7.915 6.407 1.00 0.00 O ATOM 755 CB VAL A 48 -2.620 -10.060 5.079 1.00 0.00 C ATOM 756 CG1 VAL A 48 -1.349 -9.214 5.060 1.00 0.00 C ATOM 757 CG2 VAL A 48 -2.295 -11.478 4.650 1.00 0.00 C ATOM 0 H VAL A 48 -5.258 -10.414 5.915 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.585 -10.558 7.172 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.333 -9.620 4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.917 -9.230 4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.591 -8.187 5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.631 -9.620 5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.837 -11.463 3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.603 -11.924 5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.211 -12.067 4.616 1.00 0.00 H new ATOM 767 N LYS A 49 -2.796 -8.261 8.003 1.00 0.00 N ATOM 768 CA LYS A 49 -2.860 -6.935 8.545 1.00 0.00 C ATOM 769 C LYS A 49 -1.619 -6.154 8.161 1.00 0.00 C ATOM 770 O LYS A 49 -0.505 -6.642 8.300 1.00 0.00 O ATOM 771 CB LYS A 49 -2.946 -6.999 10.053 1.00 0.00 C ATOM 772 CG LYS A 49 -4.004 -7.939 10.597 1.00 0.00 C ATOM 773 CD LYS A 49 -3.635 -9.410 10.484 1.00 0.00 C ATOM 774 CE LYS A 49 -4.753 -10.288 11.020 1.00 0.00 C ATOM 775 NZ LYS A 49 -4.434 -11.733 10.918 1.00 0.00 N ATOM 0 H LYS A 49 -2.153 -8.880 8.498 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.744 -6.440 8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.975 -7.304 10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.142 -5.997 10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.186 -7.699 11.645 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.939 -7.767 10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.437 -9.661 9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.717 -9.603 11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.944 -10.033 12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.670 -10.081 10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.315 -12.285 10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.926 -11.915 10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.836 -12.014 11.721 1.00 0.00 H new ATOM 789 N LEU A 50 -1.826 -4.953 7.694 1.00 0.00 N ATOM 790 CA LEU A 50 -0.741 -4.052 7.330 1.00 0.00 C ATOM 791 C LEU A 50 -0.843 -2.800 8.169 1.00 0.00 C ATOM 792 O LEU A 50 -1.922 -2.242 8.323 1.00 0.00 O ATOM 793 CB LEU A 50 -0.835 -3.705 5.841 1.00 0.00 C ATOM 794 CG LEU A 50 0.475 -3.393 5.118 1.00 0.00 C ATOM 795 CD1 LEU A 50 0.206 -3.067 3.667 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.200 -2.261 5.784 1.00 0.00 C ATOM 0 H LEU A 50 -2.756 -4.559 7.550 1.00 0.00 H new ATOM 0 HA LEU A 50 0.220 -4.532 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.315 -4.539 5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.494 -2.844 5.735 1.00 0.00 H new ATOM 0 HG LEU A 50 1.111 -4.277 5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.147 -2.847 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.273 -3.920 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.451 -2.199 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.129 -2.059 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.573 -1.370 5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.426 -2.531 6.816 1.00 0.00 H new ATOM 808 N THR A 51 0.261 -2.372 8.745 1.00 0.00 N ATOM 809 CA THR A 51 0.269 -1.110 9.418 1.00 0.00 C ATOM 810 C THR A 51 1.255 -0.198 8.730 1.00 0.00 C ATOM 811 O THR A 51 2.416 -0.532 8.582 1.00 0.00 O ATOM 812 CB THR A 51 0.645 -1.256 10.904 1.00 0.00 C ATOM 813 OG1 THR A 51 -0.136 -2.304 11.495 1.00 0.00 O ATOM 814 CG2 THR A 51 0.393 0.043 11.655 1.00 0.00 C ATOM 0 H THR A 51 1.147 -2.877 8.756 1.00 0.00 H new ATOM 0 HA THR A 51 -0.736 -0.690 9.374 1.00 0.00 H new ATOM 0 HB THR A 51 1.706 -1.498 10.970 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.105 -2.398 12.440 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.666 -0.084 12.703 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.995 0.839 11.217 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.663 0.305 11.584 1.00 0.00 H new ATOM 822 N ILE A 52 0.785 0.941 8.309 1.00 0.00 N ATOM 823 CA ILE A 52 1.584 1.874 7.577 1.00 0.00 C ATOM 824 C ILE A 52 1.468 3.230 8.247 1.00 0.00 C ATOM 825 O ILE A 52 0.389 3.758 8.417 1.00 0.00 O ATOM 826 CB ILE A 52 1.076 1.895 6.123 1.00 0.00 C ATOM 827 CG1 ILE A 52 1.823 0.898 5.258 1.00 0.00 C ATOM 828 CG2 ILE A 52 1.141 3.278 5.536 1.00 0.00 C ATOM 829 CD1 ILE A 52 1.355 0.922 3.825 1.00 0.00 C ATOM 0 H ILE A 52 -0.174 1.249 8.467 1.00 0.00 H new ATOM 0 HA ILE A 52 2.638 1.595 7.566 1.00 0.00 H new ATOM 0 HB ILE A 52 0.029 1.594 6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.890 1.117 5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.690 -0.104 5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.775 3.255 4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.522 3.953 6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.173 3.629 5.546 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.919 0.191 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.294 0.676 3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.513 1.916 3.407 1.00 0.00 H new ATOM 841 N THR A 53 2.580 3.764 8.667 1.00 0.00 N ATOM 842 CA THR A 53 2.605 5.041 9.318 1.00 0.00 C ATOM 843 C THR A 53 3.124 6.086 8.345 1.00 0.00 C ATOM 844 O THR A 53 4.157 5.891 7.717 1.00 0.00 O ATOM 845 CB THR A 53 3.537 4.960 10.536 1.00 0.00 C ATOM 846 OG1 THR A 53 3.116 3.910 11.412 1.00 0.00 O ATOM 847 CG2 THR A 53 3.547 6.262 11.274 1.00 0.00 C ATOM 0 H THR A 53 3.495 3.325 8.567 1.00 0.00 H new ATOM 0 HA THR A 53 1.602 5.317 9.643 1.00 0.00 H new ATOM 0 HB THR A 53 4.546 4.747 10.184 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.718 3.867 12.184 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.212 6.188 12.134 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.898 7.053 10.611 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.538 6.495 11.615 1.00 0.00 H new ATOM 855 N TYR A 54 2.399 7.172 8.216 1.00 0.00 N ATOM 856 CA TYR A 54 2.821 8.285 7.394 1.00 0.00 C ATOM 857 C TYR A 54 2.989 9.504 8.273 1.00 0.00 C ATOM 858 O TYR A 54 2.007 10.087 8.726 1.00 0.00 O ATOM 859 CB TYR A 54 1.790 8.565 6.293 1.00 0.00 C ATOM 860 CG TYR A 54 1.976 9.907 5.614 1.00 0.00 C ATOM 861 CD1 TYR A 54 2.871 10.065 4.565 1.00 0.00 C ATOM 862 CD2 TYR A 54 1.259 11.022 6.036 1.00 0.00 C ATOM 863 CE1 TYR A 54 3.045 11.295 3.958 1.00 0.00 C ATOM 864 CE2 TYR A 54 1.428 12.249 5.438 1.00 0.00 C ATOM 865 CZ TYR A 54 2.322 12.384 4.401 1.00 0.00 C ATOM 866 OH TYR A 54 2.489 13.610 3.802 1.00 0.00 O ATOM 0 H TYR A 54 1.500 7.310 8.677 1.00 0.00 H new ATOM 0 HA TYR A 54 3.769 8.041 6.914 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.849 7.776 5.543 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.790 8.521 6.724 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.440 9.215 4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.556 10.922 6.849 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.743 11.403 3.141 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.862 13.102 5.781 1.00 0.00 H new ATOM 0 HH TYR A 54 3.048 13.510 3.003 1.00 0.00 H new ATOM 876 N GLY A 55 4.233 9.882 8.508 1.00 0.00 N ATOM 877 CA GLY A 55 4.519 11.026 9.343 1.00 0.00 C ATOM 878 C GLY A 55 3.920 10.900 10.734 1.00 0.00 C ATOM 879 O GLY A 55 4.505 10.268 11.616 1.00 0.00 O ATOM 0 H GLY A 55 5.057 9.412 8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.599 11.149 9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.132 11.926 8.865 1.00 0.00 H new ATOM 883 N SER A 56 2.751 11.498 10.925 1.00 0.00 N ATOM 884 CA SER A 56 2.052 11.446 12.199 1.00 0.00 C ATOM 885 C SER A 56 0.873 10.474 12.128 1.00 0.00 C ATOM 886 O SER A 56 0.435 9.930 13.142 1.00 0.00 O ATOM 887 CB SER A 56 1.536 12.839 12.550 1.00 0.00 C ATOM 888 OG SER A 56 1.088 12.908 13.895 1.00 0.00 O ATOM 0 H SER A 56 2.264 12.030 10.204 1.00 0.00 H new ATOM 0 HA SER A 56 2.746 11.100 12.965 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.328 13.571 12.392 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.718 13.104 11.880 1.00 0.00 H new ATOM 0 HG SER A 56 0.766 13.814 14.086 1.00 0.00 H new ATOM 894 N LYS A 57 0.378 10.248 10.925 1.00 0.00 N ATOM 895 CA LYS A 57 -0.843 9.509 10.720 1.00 0.00 C ATOM 896 C LYS A 57 -0.587 8.082 10.254 1.00 0.00 C ATOM 897 O LYS A 57 0.134 7.835 9.296 1.00 0.00 O ATOM 898 CB LYS A 57 -1.710 10.298 9.763 1.00 0.00 C ATOM 899 CG LYS A 57 -2.245 9.562 8.568 1.00 0.00 C ATOM 900 CD LYS A 57 -3.740 9.512 8.692 1.00 0.00 C ATOM 901 CE LYS A 57 -4.225 8.160 9.080 1.00 0.00 C ATOM 902 NZ LYS A 57 -3.954 7.133 8.042 1.00 0.00 N ATOM 0 H LYS A 57 0.816 10.575 10.064 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.369 9.394 11.668 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.556 10.698 10.322 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.132 11.151 9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.955 10.067 7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.831 8.555 8.523 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.066 10.240 9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.192 9.800 7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.748 7.862 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.297 8.204 9.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.583 6.318 8.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.125 7.538 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.964 6.823 8.111 1.00 0.00 H new ATOM 916 N VAL A 58 -1.202 7.149 10.953 1.00 0.00 N ATOM 917 CA VAL A 58 -1.024 5.735 10.701 1.00 0.00 C ATOM 918 C VAL A 58 -2.229 5.174 9.990 1.00 0.00 C ATOM 919 O VAL A 58 -3.365 5.302 10.437 1.00 0.00 O ATOM 920 CB VAL A 58 -0.785 4.949 12.010 1.00 0.00 C ATOM 921 CG1 VAL A 58 -0.730 3.462 11.746 1.00 0.00 C ATOM 922 CG2 VAL A 58 0.488 5.417 12.696 1.00 0.00 C ATOM 0 H VAL A 58 -1.845 7.354 11.718 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.142 5.624 10.070 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.625 5.145 12.676 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.561 2.932 12.683 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.674 3.135 11.309 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.084 3.245 11.055 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.636 4.850 13.615 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.338 5.260 12.032 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.404 6.477 12.934 1.00 0.00 H new ATOM 932 N ILE A 59 -1.947 4.565 8.869 1.00 0.00 N ATOM 933 CA ILE A 59 -2.915 3.911 8.063 1.00 0.00 C ATOM 934 C ILE A 59 -2.763 2.405 8.230 1.00 0.00 C ATOM 935 O ILE A 59 -1.730 1.819 7.912 1.00 0.00 O ATOM 936 CB ILE A 59 -2.737 4.360 6.591 1.00 0.00 C ATOM 937 CG1 ILE A 59 -2.745 3.184 5.603 1.00 0.00 C ATOM 938 CG2 ILE A 59 -1.493 5.206 6.428 1.00 0.00 C ATOM 939 CD1 ILE A 59 -2.247 3.543 4.216 1.00 0.00 C ATOM 0 H ILE A 59 -1.002 4.515 8.488 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.926 4.180 8.370 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.604 4.973 6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.126 2.381 6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.760 2.795 5.524 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.392 5.508 5.385 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.571 6.093 7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.618 4.627 6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.283 2.661 3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.879 4.324 3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.220 3.903 4.280 1.00 0.00 H new ATOM 951 N HIS A 60 -3.775 1.800 8.803 1.00 0.00 N ATOM 952 CA HIS A 60 -3.790 0.355 8.991 1.00 0.00 C ATOM 953 C HIS A 60 -4.674 -0.306 7.940 1.00 0.00 C ATOM 954 O HIS A 60 -5.778 0.163 7.649 1.00 0.00 O ATOM 955 CB HIS A 60 -4.253 -0.016 10.408 1.00 0.00 C ATOM 956 CG HIS A 60 -5.590 0.553 10.787 1.00 0.00 C ATOM 957 ND1 HIS A 60 -6.772 0.148 10.210 1.00 0.00 N ATOM 958 CD2 HIS A 60 -5.921 1.506 11.689 1.00 0.00 C ATOM 959 CE1 HIS A 60 -7.772 0.829 10.733 1.00 0.00 C ATOM 960 NE2 HIS A 60 -7.283 1.660 11.636 1.00 0.00 N ATOM 0 H HIS A 60 -4.605 2.280 9.151 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.772 -0.015 8.870 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.296 -1.102 10.492 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.507 0.330 11.124 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -6.860 -0.568 9.489 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.240 2.045 12.331 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.814 0.725 10.468 1.00 0.00 H new ATOM 969 N ASN A 61 -4.184 -1.380 7.350 1.00 0.00 N ATOM 970 CA ASN A 61 -4.911 -2.062 6.295 1.00 0.00 C ATOM 971 C ASN A 61 -5.060 -3.531 6.640 1.00 0.00 C ATOM 972 O ASN A 61 -4.169 -4.332 6.369 1.00 0.00 O ATOM 973 CB ASN A 61 -4.189 -1.935 4.944 1.00 0.00 C ATOM 974 CG ASN A 61 -3.753 -0.518 4.603 1.00 0.00 C ATOM 975 OD1 ASN A 61 -4.422 0.476 5.168 1.00 0.00 O flip ATOM 976 ND2 ASN A 61 -2.797 -0.318 3.854 1.00 0.00 N flip ATOM 0 H ASN A 61 -3.284 -1.800 7.584 1.00 0.00 H new ATOM 0 HA ASN A 61 -5.892 -1.594 6.210 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.312 -2.582 4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.848 -2.300 4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.304 -1.106 3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.498 0.636 3.652 1.00 0.00 H new ATOM 983 N GLU A 62 -6.168 -3.886 7.265 1.00 0.00 N ATOM 984 CA GLU A 62 -6.441 -5.270 7.551 1.00 0.00 C ATOM 985 C GLU A 62 -7.443 -5.806 6.572 1.00 0.00 C ATOM 986 O GLU A 62 -8.537 -5.264 6.406 1.00 0.00 O ATOM 987 CB GLU A 62 -6.954 -5.439 8.968 1.00 0.00 C ATOM 988 CG GLU A 62 -6.020 -4.830 9.973 1.00 0.00 C ATOM 989 CD GLU A 62 -6.441 -3.436 10.399 1.00 0.00 C ATOM 990 OE1 GLU A 62 -6.260 -2.482 9.617 1.00 0.00 O ATOM 991 OE2 GLU A 62 -6.971 -3.296 11.525 1.00 0.00 O ATOM 0 H GLU A 62 -6.886 -3.234 7.580 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.511 -5.831 7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.937 -4.976 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.081 -6.500 9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.969 -5.473 10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.016 -4.788 9.550 1.00 0.00 H new ATOM 998 N PHE A 63 -7.057 -6.880 5.946 1.00 0.00 N ATOM 999 CA PHE A 63 -7.850 -7.457 4.878 1.00 0.00 C ATOM 1000 C PHE A 63 -7.687 -8.966 4.790 1.00 0.00 C ATOM 1001 O PHE A 63 -6.670 -9.529 5.204 1.00 0.00 O ATOM 1002 CB PHE A 63 -7.499 -6.795 3.540 1.00 0.00 C ATOM 1003 CG PHE A 63 -6.028 -6.668 3.268 1.00 0.00 C ATOM 1004 CD1 PHE A 63 -5.224 -7.782 3.099 1.00 0.00 C ATOM 1005 CD2 PHE A 63 -5.456 -5.417 3.180 1.00 0.00 C ATOM 1006 CE1 PHE A 63 -3.872 -7.645 2.850 1.00 0.00 C ATOM 1007 CE2 PHE A 63 -4.107 -5.268 2.933 1.00 0.00 C ATOM 1008 CZ PHE A 63 -3.312 -6.384 2.766 1.00 0.00 C ATOM 0 H PHE A 63 -6.194 -7.383 6.152 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.898 -7.264 5.108 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.955 -7.371 2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.946 -5.801 3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.658 -8.769 3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.073 -4.540 3.306 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.254 -8.521 2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.674 -4.281 2.870 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.256 -6.272 2.570 1.00 0.00 H new ATOM 1018 N THR A 64 -8.718 -9.614 4.281 1.00 0.00 N ATOM 1019 CA THR A 64 -8.684 -11.031 4.023 1.00 0.00 C ATOM 1020 C THR A 64 -8.647 -11.268 2.527 1.00 0.00 C ATOM 1021 O THR A 64 -9.403 -10.639 1.785 1.00 0.00 O ATOM 1022 CB THR A 64 -9.919 -11.738 4.595 1.00 0.00 C ATOM 1023 OG1 THR A 64 -10.229 -11.204 5.888 1.00 0.00 O ATOM 1024 CG2 THR A 64 -9.646 -13.224 4.716 1.00 0.00 C ATOM 0 H THR A 64 -9.602 -9.167 4.036 1.00 0.00 H new ATOM 0 HA THR A 64 -7.794 -11.436 4.505 1.00 0.00 H new ATOM 0 HB THR A 64 -10.764 -11.577 3.926 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.130 -10.820 5.876 1.00 0.00 H new ATOM 0 HG21 THR A 64 -10.525 -13.724 5.123 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.419 -13.634 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.797 -13.385 5.381 1.00 0.00 H new ATOM 1032 N LEU A 65 -7.744 -12.134 2.077 1.00 0.00 N ATOM 1033 CA LEU A 65 -7.707 -12.496 0.666 1.00 0.00 C ATOM 1034 C LEU A 65 -9.082 -12.943 0.186 1.00 0.00 C ATOM 1035 O LEU A 65 -9.819 -13.620 0.905 1.00 0.00 O ATOM 1036 CB LEU A 65 -6.644 -13.572 0.371 1.00 0.00 C ATOM 1037 CG LEU A 65 -6.803 -14.952 1.020 1.00 0.00 C ATOM 1038 CD1 LEU A 65 -7.895 -15.733 0.340 1.00 0.00 C ATOM 1039 CD2 LEU A 65 -5.501 -15.719 0.945 1.00 0.00 C ATOM 0 H LEU A 65 -7.040 -12.590 2.657 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.421 -11.603 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.608 -13.715 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.675 -13.173 0.672 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.073 -14.810 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.993 -16.710 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.837 -15.192 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.647 -15.864 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.628 -16.697 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.214 -15.847 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.722 -15.166 1.470 1.00 0.00 H new ATOM 1051 N GLY A 66 -9.420 -12.527 -1.021 1.00 0.00 N ATOM 1052 CA GLY A 66 -10.681 -12.907 -1.625 1.00 0.00 C ATOM 1053 C GLY A 66 -11.873 -12.343 -0.882 1.00 0.00 C ATOM 1054 O GLY A 66 -12.974 -12.892 -0.963 1.00 0.00 O ATOM 0 H GLY A 66 -8.837 -11.925 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.704 -12.561 -2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.755 -13.994 -1.651 1.00 0.00 H new ATOM 1058 N GLU A 67 -11.661 -11.247 -0.157 1.00 0.00 N ATOM 1059 CA GLU A 67 -12.725 -10.639 0.630 1.00 0.00 C ATOM 1060 C GLU A 67 -12.667 -9.128 0.484 1.00 0.00 C ATOM 1061 O GLU A 67 -11.579 -8.548 0.423 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.623 -11.044 2.114 1.00 0.00 C ATOM 1063 CG GLU A 67 -12.760 -12.542 2.351 1.00 0.00 C ATOM 1064 CD GLU A 67 -13.023 -12.902 3.801 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -13.798 -12.184 4.462 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -12.484 -13.929 4.277 1.00 0.00 O ATOM 0 H GLU A 67 -10.764 -10.765 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.683 -11.000 0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.663 -10.709 2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.398 -10.524 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.573 -12.927 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.848 -13.039 2.021 1.00 0.00 H new ATOM 1073 N GLU A 68 -13.827 -8.492 0.404 1.00 0.00 N ATOM 1074 CA GLU A 68 -13.870 -7.051 0.257 1.00 0.00 C ATOM 1075 C GLU A 68 -13.577 -6.393 1.587 1.00 0.00 C ATOM 1076 O GLU A 68 -14.292 -6.580 2.571 1.00 0.00 O ATOM 1077 CB GLU A 68 -15.216 -6.567 -0.260 1.00 0.00 C ATOM 1078 CG GLU A 68 -15.160 -5.161 -0.841 1.00 0.00 C ATOM 1079 CD GLU A 68 -16.504 -4.681 -1.333 1.00 0.00 C ATOM 1080 OE1 GLU A 68 -17.389 -4.423 -0.496 1.00 0.00 O ATOM 1081 OE2 GLU A 68 -16.685 -4.571 -2.562 1.00 0.00 O ATOM 0 H GLU A 68 -14.739 -8.948 0.438 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.113 -6.775 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.574 -7.256 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.941 -6.589 0.554 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.789 -4.473 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.447 -5.141 -1.665 1.00 0.00 H new ATOM 1088 N CYS A 69 -12.520 -5.633 1.591 1.00 0.00 N ATOM 1089 CA CYS A 69 -12.073 -4.920 2.764 1.00 0.00 C ATOM 1090 C CYS A 69 -11.775 -3.512 2.360 1.00 0.00 C ATOM 1091 O CYS A 69 -11.456 -3.238 1.203 1.00 0.00 O ATOM 1092 CB CYS A 69 -10.833 -5.586 3.351 1.00 0.00 C ATOM 1093 SG CYS A 69 -10.959 -7.388 3.487 1.00 0.00 S ATOM 0 H CYS A 69 -11.933 -5.486 0.770 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.846 -4.932 3.532 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.972 -5.338 2.730 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -10.643 -5.170 4.340 1.00 0.00 H new ATOM 0 HG CYS A 69 -11.183 -7.897 2.312 1.00 0.00 H new ATOM 1099 N GLU A 70 -11.899 -2.616 3.292 1.00 0.00 N ATOM 1100 CA GLU A 70 -11.715 -1.236 2.979 1.00 0.00 C ATOM 1101 C GLU A 70 -10.287 -0.838 3.300 1.00 0.00 C ATOM 1102 O GLU A 70 -9.661 -1.331 4.244 1.00 0.00 O ATOM 1103 CB GLU A 70 -12.717 -0.373 3.723 1.00 0.00 C ATOM 1104 CG GLU A 70 -12.297 -0.120 5.125 1.00 0.00 C ATOM 1105 CD GLU A 70 -13.457 0.171 6.056 1.00 0.00 C ATOM 1106 OE1 GLU A 70 -14.569 -0.340 5.805 1.00 0.00 O ATOM 1107 OE2 GLU A 70 -13.258 0.901 7.047 1.00 0.00 O ATOM 0 H GLU A 70 -12.125 -2.815 4.267 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.891 -1.079 1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.835 0.577 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.691 -0.862 3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.752 -0.988 5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.606 0.722 5.143 1.00 0.00 H new ATOM 1114 N LEU A 71 -9.797 0.040 2.488 1.00 0.00 N ATOM 1115 CA LEU A 71 -8.411 0.384 2.443 1.00 0.00 C ATOM 1116 C LEU A 71 -8.220 1.785 2.968 1.00 0.00 C ATOM 1117 O LEU A 71 -8.964 2.683 2.595 1.00 0.00 O ATOM 1118 CB LEU A 71 -7.954 0.310 0.992 1.00 0.00 C ATOM 1119 CG LEU A 71 -8.428 -0.925 0.231 1.00 0.00 C ATOM 1120 CD1 LEU A 71 -8.003 -0.858 -1.220 1.00 0.00 C ATOM 1121 CD2 LEU A 71 -7.859 -2.148 0.890 1.00 0.00 C ATOM 0 H LEU A 71 -10.367 0.555 1.816 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.828 -0.302 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.307 1.199 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.865 0.338 0.968 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.517 -0.969 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.352 -1.749 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.435 0.028 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.916 -0.805 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.191 -3.038 0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.770 -2.098 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.202 -2.197 1.923 1.00 0.00 H new ATOM 1133 N GLU A 72 -7.247 1.974 3.830 1.00 0.00 N ATOM 1134 CA GLU A 72 -6.928 3.303 4.283 1.00 0.00 C ATOM 1135 C GLU A 72 -5.885 3.860 3.355 1.00 0.00 C ATOM 1136 O GLU A 72 -4.912 3.186 3.033 1.00 0.00 O ATOM 1137 CB GLU A 72 -6.425 3.295 5.730 1.00 0.00 C ATOM 1138 CG GLU A 72 -6.817 4.539 6.509 1.00 0.00 C ATOM 1139 CD GLU A 72 -6.489 4.431 7.980 1.00 0.00 C ATOM 1140 OE1 GLU A 72 -7.174 3.665 8.692 1.00 0.00 O ATOM 1141 OE2 GLU A 72 -5.552 5.116 8.429 1.00 0.00 O ATOM 0 H GLU A 72 -6.670 1.232 4.226 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.822 3.926 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.820 2.416 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.339 3.202 5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.303 5.403 6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.886 4.715 6.391 1.00 0.00 H new ATOM 1148 N THR A 73 -6.113 5.058 2.875 1.00 0.00 N ATOM 1149 CA THR A 73 -5.200 5.656 1.939 1.00 0.00 C ATOM 1150 C THR A 73 -4.119 6.440 2.666 1.00 0.00 C ATOM 1151 O THR A 73 -4.176 6.580 3.890 1.00 0.00 O ATOM 1152 CB THR A 73 -5.946 6.566 0.952 1.00 0.00 C ATOM 1153 OG1 THR A 73 -6.840 7.430 1.666 1.00 0.00 O ATOM 1154 CG2 THR A 73 -6.722 5.733 -0.052 1.00 0.00 C ATOM 0 H THR A 73 -6.919 5.634 3.117 1.00 0.00 H new ATOM 0 HA THR A 73 -4.725 4.853 1.375 1.00 0.00 H new ATOM 0 HB THR A 73 -5.217 7.171 0.414 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.191 8.113 1.057 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.245 6.392 -0.745 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.033 5.097 -0.607 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.446 5.111 0.474 1.00 0.00 H new ATOM 1162 N MET A 74 -3.141 6.951 1.928 1.00 0.00 N ATOM 1163 CA MET A 74 -2.079 7.746 2.535 1.00 0.00 C ATOM 1164 C MET A 74 -2.680 8.994 3.189 1.00 0.00 C ATOM 1165 O MET A 74 -2.128 9.548 4.138 1.00 0.00 O ATOM 1166 CB MET A 74 -1.023 8.143 1.489 1.00 0.00 C ATOM 1167 CG MET A 74 0.256 8.692 2.099 1.00 0.00 C ATOM 1168 SD MET A 74 1.152 7.453 3.059 1.00 0.00 S ATOM 1169 CE MET A 74 1.587 6.276 1.780 1.00 0.00 C ATOM 0 H MET A 74 -3.060 6.831 0.918 1.00 0.00 H new ATOM 0 HA MET A 74 -1.584 7.144 3.298 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.781 7.272 0.880 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.448 8.892 0.821 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.901 9.068 1.305 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.014 9.539 2.741 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.418 5.659 2.121 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.728 5.641 1.563 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.879 6.812 0.877 1.00 0.00 H new ATOM 1179 N THR A 75 -3.830 9.415 2.673 1.00 0.00 N ATOM 1180 CA THR A 75 -4.558 10.543 3.226 1.00 0.00 C ATOM 1181 C THR A 75 -5.373 10.125 4.451 1.00 0.00 C ATOM 1182 O THR A 75 -5.447 10.857 5.437 1.00 0.00 O ATOM 1183 CB THR A 75 -5.483 11.148 2.167 1.00 0.00 C ATOM 1184 OG1 THR A 75 -4.747 11.337 0.953 1.00 0.00 O ATOM 1185 CG2 THR A 75 -6.055 12.480 2.629 1.00 0.00 C ATOM 0 H THR A 75 -4.279 8.984 1.864 1.00 0.00 H new ATOM 0 HA THR A 75 -3.830 11.293 3.537 1.00 0.00 H new ATOM 0 HB THR A 75 -6.314 10.462 2.001 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.335 11.723 0.271 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.708 12.884 1.855 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.627 12.332 3.545 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.241 13.180 2.818 1.00 0.00 H new ATOM 1193 N GLY A 76 -5.968 8.937 4.396 1.00 0.00 N ATOM 1194 CA GLY A 76 -6.728 8.452 5.530 1.00 0.00 C ATOM 1195 C GLY A 76 -8.143 8.032 5.176 1.00 0.00 C ATOM 1196 O GLY A 76 -8.910 7.628 6.049 1.00 0.00 O ATOM 0 H GLY A 76 -5.937 8.308 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.205 7.603 5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.769 9.232 6.290 1.00 0.00 H new ATOM 1200 N GLU A 77 -8.497 8.134 3.902 1.00 0.00 N ATOM 1201 CA GLU A 77 -9.819 7.725 3.440 1.00 0.00 C ATOM 1202 C GLU A 77 -9.894 6.211 3.267 1.00 0.00 C ATOM 1203 O GLU A 77 -8.946 5.595 2.777 1.00 0.00 O ATOM 1204 CB GLU A 77 -10.160 8.424 2.128 1.00 0.00 C ATOM 1205 CG GLU A 77 -11.451 7.937 1.494 1.00 0.00 C ATOM 1206 CD GLU A 77 -11.868 8.772 0.305 1.00 0.00 C ATOM 1207 OE1 GLU A 77 -11.297 8.594 -0.786 1.00 0.00 O ATOM 1208 OE2 GLU A 77 -12.768 9.622 0.463 1.00 0.00 O ATOM 0 H GLU A 77 -7.888 8.497 3.169 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.548 8.017 4.196 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.236 9.497 2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.341 8.275 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.328 6.901 1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.246 7.952 2.240 1.00 0.00 H new ATOM 1215 N LYS A 78 -11.017 5.627 3.679 1.00 0.00 N ATOM 1216 CA LYS A 78 -11.235 4.201 3.578 1.00 0.00 C ATOM 1217 C LYS A 78 -12.054 3.864 2.334 1.00 0.00 C ATOM 1218 O LYS A 78 -13.090 4.480 2.078 1.00 0.00 O ATOM 1219 CB LYS A 78 -11.988 3.716 4.808 1.00 0.00 C ATOM 1220 CG LYS A 78 -11.547 4.356 6.104 1.00 0.00 C ATOM 1221 CD LYS A 78 -10.176 3.867 6.521 1.00 0.00 C ATOM 1222 CE LYS A 78 -10.204 2.407 6.943 1.00 0.00 C ATOM 1223 NZ LYS A 78 -11.041 2.190 8.154 1.00 0.00 N ATOM 0 H LYS A 78 -11.798 6.137 4.092 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.265 3.709 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -13.052 3.907 4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.866 2.636 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.529 5.440 5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.270 4.130 6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.477 3.993 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.807 4.477 7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.589 1.801 6.123 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.187 2.068 7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.567 1.514 8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.174 3.094 8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.967 1.810 7.872 1.00 0.00 H new ATOM 1237 N VAL A 79 -11.596 2.884 1.562 1.00 0.00 N ATOM 1238 CA VAL A 79 -12.306 2.490 0.342 1.00 0.00 C ATOM 1239 C VAL A 79 -12.361 0.969 0.244 1.00 0.00 C ATOM 1240 O VAL A 79 -11.366 0.295 0.470 1.00 0.00 O ATOM 1241 CB VAL A 79 -11.682 3.102 -0.950 1.00 0.00 C ATOM 1242 CG1 VAL A 79 -10.881 4.356 -0.642 1.00 0.00 C ATOM 1243 CG2 VAL A 79 -10.826 2.096 -1.683 1.00 0.00 C ATOM 0 H VAL A 79 -10.747 2.351 1.753 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.317 2.891 0.414 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.510 3.380 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.461 4.755 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.533 5.102 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.073 4.112 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.408 2.557 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.016 1.765 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.436 1.239 -1.968 1.00 0.00 H new ATOM 1253 N LYS A 80 -13.518 0.424 -0.063 1.00 0.00 N ATOM 1254 CA LYS A 80 -13.661 -1.021 -0.133 1.00 0.00 C ATOM 1255 C LYS A 80 -13.208 -1.564 -1.471 1.00 0.00 C ATOM 1256 O LYS A 80 -13.696 -1.161 -2.528 1.00 0.00 O ATOM 1257 CB LYS A 80 -15.100 -1.444 0.146 1.00 0.00 C ATOM 1258 CG LYS A 80 -15.569 -1.015 1.515 1.00 0.00 C ATOM 1259 CD LYS A 80 -16.876 -1.666 1.915 1.00 0.00 C ATOM 1260 CE LYS A 80 -17.677 -0.746 2.825 1.00 0.00 C ATOM 1261 NZ LYS A 80 -16.902 -0.301 4.018 1.00 0.00 N ATOM 0 H LYS A 80 -14.368 0.950 -0.267 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.017 -1.444 0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.756 -1.014 -0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.181 -2.528 0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.804 -1.263 2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.687 0.068 1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.458 -1.902 1.024 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.678 -2.608 2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.999 0.128 2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.579 -1.262 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.473 -0.443 4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.025 -0.856 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.666 0.707 3.922 1.00 0.00 H new ATOM 1275 N ALA A 81 -12.268 -2.480 -1.400 1.00 0.00 N ATOM 1276 CA ALA A 81 -11.767 -3.175 -2.559 1.00 0.00 C ATOM 1277 C ALA A 81 -11.532 -4.626 -2.185 1.00 0.00 C ATOM 1278 O ALA A 81 -11.312 -4.941 -1.014 1.00 0.00 O ATOM 1279 CB ALA A 81 -10.487 -2.525 -3.058 1.00 0.00 C ATOM 0 H ALA A 81 -11.827 -2.764 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.495 -3.123 -3.369 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.123 -3.063 -3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.686 -1.488 -3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.732 -2.558 -2.272 1.00 0.00 H new ATOM 1285 N VAL A 82 -11.594 -5.508 -3.154 1.00 0.00 N ATOM 1286 CA VAL A 82 -11.397 -6.914 -2.883 1.00 0.00 C ATOM 1287 C VAL A 82 -9.953 -7.294 -3.146 1.00 0.00 C ATOM 1288 O VAL A 82 -9.488 -7.300 -4.289 1.00 0.00 O ATOM 1289 CB VAL A 82 -12.362 -7.766 -3.724 1.00 0.00 C ATOM 1290 CG1 VAL A 82 -12.041 -9.248 -3.608 1.00 0.00 C ATOM 1291 CG2 VAL A 82 -13.784 -7.497 -3.281 1.00 0.00 C ATOM 0 H VAL A 82 -11.778 -5.281 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.615 -7.108 -1.833 1.00 0.00 H new ATOM 0 HB VAL A 82 -12.247 -7.488 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.742 -9.821 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.025 -9.429 -3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.125 -9.558 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -14.471 -8.100 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.892 -7.756 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -14.015 -6.441 -3.420 1.00 0.00 H new ATOM 1301 N VAL A 83 -9.252 -7.610 -2.065 1.00 0.00 N ATOM 1302 CA VAL A 83 -7.841 -7.938 -2.131 1.00 0.00 C ATOM 1303 C VAL A 83 -7.671 -9.439 -2.035 1.00 0.00 C ATOM 1304 O VAL A 83 -8.310 -10.097 -1.216 1.00 0.00 O ATOM 1305 CB VAL A 83 -7.011 -7.225 -1.012 1.00 0.00 C ATOM 1306 CG1 VAL A 83 -7.896 -6.342 -0.144 1.00 0.00 C ATOM 1307 CG2 VAL A 83 -6.242 -8.221 -0.154 1.00 0.00 C ATOM 0 H VAL A 83 -9.646 -7.645 -1.125 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.458 -7.579 -3.086 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.282 -6.589 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.289 -5.861 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.369 -5.580 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.665 -6.952 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.679 -7.685 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.942 -8.906 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.553 -8.786 -0.782 1.00 0.00 H new ATOM 1317 N LYS A 84 -6.852 -9.981 -2.899 1.00 0.00 N ATOM 1318 CA LYS A 84 -6.574 -11.380 -2.896 1.00 0.00 C ATOM 1319 C LYS A 84 -5.128 -11.654 -2.619 1.00 0.00 C ATOM 1320 O LYS A 84 -4.260 -10.830 -2.904 1.00 0.00 O ATOM 1321 CB LYS A 84 -6.954 -11.955 -4.217 1.00 0.00 C ATOM 1322 CG LYS A 84 -8.447 -11.965 -4.390 1.00 0.00 C ATOM 1323 CD LYS A 84 -8.898 -12.782 -5.556 1.00 0.00 C ATOM 1324 CE LYS A 84 -10.389 -12.592 -5.754 1.00 0.00 C ATOM 1325 NZ LYS A 84 -10.887 -13.255 -6.983 1.00 0.00 N ATOM 0 H LYS A 84 -6.362 -9.457 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.157 -11.845 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.495 -11.373 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.568 -12.971 -4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.909 -12.353 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.799 -10.941 -4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.359 -12.482 -6.455 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.673 -13.835 -5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.921 -12.990 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.613 -11.526 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.911 -13.096 -7.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.401 -12.859 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.699 -14.276 -6.927 1.00 0.00 H new ATOM 1339 N MET A 85 -4.866 -12.809 -2.059 1.00 0.00 N ATOM 1340 CA MET A 85 -3.511 -13.189 -1.792 1.00 0.00 C ATOM 1341 C MET A 85 -3.154 -14.436 -2.554 1.00 0.00 C ATOM 1342 O MET A 85 -3.758 -15.498 -2.398 1.00 0.00 O ATOM 1343 CB MET A 85 -3.256 -13.370 -0.290 1.00 0.00 C ATOM 1344 CG MET A 85 -1.815 -13.737 0.064 1.00 0.00 C ATOM 1345 SD MET A 85 -1.715 -14.996 1.353 1.00 0.00 S ATOM 1346 CE MET A 85 -2.642 -14.210 2.669 1.00 0.00 C ATOM 0 H MET A 85 -5.570 -13.494 -1.783 1.00 0.00 H new ATOM 0 HA MET A 85 -2.866 -12.379 -2.132 1.00 0.00 H new ATOM 0 HB2 MET A 85 -3.520 -12.447 0.225 1.00 0.00 H new ATOM 0 HB3 MET A 85 -3.920 -14.147 0.088 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.306 -14.097 -0.830 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.287 -12.842 0.394 1.00 0.00 H new ATOM 0 HE1 MET A 85 -1.983 -14.023 3.517 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.051 -13.265 2.312 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.457 -14.863 2.981 1.00 0.00 H new ATOM 1356 N GLU A 86 -2.161 -14.253 -3.380 1.00 0.00 N ATOM 1357 CA GLU A 86 -1.595 -15.281 -4.207 1.00 0.00 C ATOM 1358 C GLU A 86 -0.977 -16.376 -3.356 1.00 0.00 C ATOM 1359 O GLU A 86 -0.983 -17.548 -3.720 1.00 0.00 O ATOM 1360 CB GLU A 86 -0.561 -14.601 -5.075 1.00 0.00 C ATOM 1361 CG GLU A 86 0.204 -15.500 -6.019 1.00 0.00 C ATOM 1362 CD GLU A 86 -0.662 -16.531 -6.710 1.00 0.00 C ATOM 1363 OE1 GLU A 86 -1.631 -16.139 -7.389 1.00 0.00 O ATOM 1364 OE2 GLU A 86 -0.362 -17.737 -6.597 1.00 0.00 O ATOM 0 H GLU A 86 -1.707 -13.348 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.355 -15.766 -4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.059 -13.830 -5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.154 -14.096 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.695 -14.886 -6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.990 -16.012 -5.463 1.00 0.00 H new ATOM 1371 N GLY A 87 -0.464 -15.987 -2.201 1.00 0.00 N ATOM 1372 CA GLY A 87 0.196 -16.937 -1.339 1.00 0.00 C ATOM 1373 C GLY A 87 1.679 -16.976 -1.624 1.00 0.00 C ATOM 1374 O GLY A 87 2.496 -17.207 -0.738 1.00 0.00 O ATOM 0 H GLY A 87 -0.494 -15.031 -1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.028 -16.667 -0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.234 -17.928 -1.485 1.00 0.00 H new ATOM 1378 N ASP A 88 2.010 -16.746 -2.884 1.00 0.00 N ATOM 1379 CA ASP A 88 3.391 -16.657 -3.333 1.00 0.00 C ATOM 1380 C ASP A 88 3.835 -15.201 -3.347 1.00 0.00 C ATOM 1381 O ASP A 88 4.165 -14.638 -4.390 1.00 0.00 O ATOM 1382 CB ASP A 88 3.528 -17.289 -4.724 1.00 0.00 C ATOM 1383 CG ASP A 88 4.957 -17.337 -5.225 1.00 0.00 C ATOM 1384 OD1 ASP A 88 5.776 -18.063 -4.629 1.00 0.00 O ATOM 1385 OD2 ASP A 88 5.258 -16.669 -6.236 1.00 0.00 O ATOM 0 H ASP A 88 1.325 -16.615 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 88 4.035 -17.205 -2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.126 -18.302 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.921 -16.725 -5.432 1.00 0.00 H new ATOM 1390 N ASN A 89 3.819 -14.614 -2.155 1.00 0.00 N ATOM 1391 CA ASN A 89 4.316 -13.264 -1.889 1.00 0.00 C ATOM 1392 C ASN A 89 3.449 -12.173 -2.480 1.00 0.00 C ATOM 1393 O ASN A 89 3.765 -10.994 -2.340 1.00 0.00 O ATOM 1394 CB ASN A 89 5.725 -13.084 -2.428 1.00 0.00 C ATOM 1395 CG ASN A 89 6.703 -14.135 -1.930 1.00 0.00 C ATOM 1396 OD1 ASN A 89 7.313 -13.981 -0.879 1.00 0.00 O ATOM 1397 ND2 ASN A 89 6.858 -15.210 -2.686 1.00 0.00 N ATOM 0 H ASN A 89 3.450 -15.075 -1.323 1.00 0.00 H new ATOM 0 HA ASN A 89 4.299 -13.166 -0.804 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.695 -13.114 -3.517 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.090 -12.097 -2.146 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.503 -15.946 -2.400 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.332 -15.302 -3.555 1.00 0.00 H new ATOM 1404 N LYS A 90 2.369 -12.539 -3.130 1.00 0.00 N ATOM 1405 CA LYS A 90 1.599 -11.561 -3.855 1.00 0.00 C ATOM 1406 C LYS A 90 0.270 -11.284 -3.186 1.00 0.00 C ATOM 1407 O LYS A 90 -0.530 -12.186 -2.951 1.00 0.00 O ATOM 1408 CB LYS A 90 1.388 -12.039 -5.282 1.00 0.00 C ATOM 1409 CG LYS A 90 2.629 -12.658 -5.873 1.00 0.00 C ATOM 1410 CD LYS A 90 2.448 -13.011 -7.324 1.00 0.00 C ATOM 1411 CE LYS A 90 3.791 -13.161 -7.994 1.00 0.00 C ATOM 1412 NZ LYS A 90 4.558 -14.320 -7.466 1.00 0.00 N ATOM 0 H LYS A 90 2.009 -13.493 -3.171 1.00 0.00 H new ATOM 0 HA LYS A 90 2.157 -10.624 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.578 -12.768 -5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.075 -11.198 -5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 90 3.464 -11.965 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.889 -13.555 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.883 -13.939 -7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.868 -12.236 -7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.648 -13.282 -9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.370 -12.249 -7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.527 -14.295 -7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.588 -14.272 -6.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.096 -15.205 -7.759 1.00 0.00 H new ATOM 1426 N MET A 91 0.064 -10.026 -2.871 1.00 0.00 N ATOM 1427 CA MET A 91 -1.239 -9.540 -2.433 1.00 0.00 C ATOM 1428 C MET A 91 -1.738 -8.509 -3.431 1.00 0.00 C ATOM 1429 O MET A 91 -1.137 -7.446 -3.599 1.00 0.00 O ATOM 1430 CB MET A 91 -1.169 -8.916 -1.034 1.00 0.00 C ATOM 1431 CG MET A 91 -1.154 -9.922 0.112 1.00 0.00 C ATOM 1432 SD MET A 91 0.317 -10.968 0.129 1.00 0.00 S ATOM 1433 CE MET A 91 1.608 -9.728 0.115 1.00 0.00 C ATOM 0 H MET A 91 0.787 -9.307 -2.908 1.00 0.00 H new ATOM 0 HA MET A 91 -1.925 -10.385 -2.382 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.272 -8.300 -0.970 1.00 0.00 H new ATOM 0 HB3 MET A 91 -2.023 -8.251 -0.904 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.220 -9.385 1.058 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.039 -10.554 0.042 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.580 -10.214 0.195 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.560 -9.163 -0.816 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.471 -9.050 0.958 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.832 -8.833 -4.097 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.325 -8.016 -5.191 1.00 0.00 C ATOM 1445 C VAL A 92 -4.809 -7.721 -5.016 1.00 0.00 C ATOM 1446 O VAL A 92 -5.618 -8.639 -4.886 1.00 0.00 O ATOM 1447 CB VAL A 92 -3.124 -8.715 -6.558 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -2.740 -7.706 -7.618 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -2.084 -9.824 -6.474 1.00 0.00 C ATOM 0 H VAL A 92 -3.397 -9.659 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.754 -7.088 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.073 -9.173 -6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.603 -8.215 -8.572 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.530 -6.961 -7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.810 -7.214 -7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.970 -10.291 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.129 -9.404 -6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.407 -10.572 -5.750 1.00 0.00 H new ATOM 1459 N THR A 93 -5.168 -6.449 -5.007 1.00 0.00 N ATOM 1460 CA THR A 93 -6.568 -6.059 -4.936 1.00 0.00 C ATOM 1461 C THR A 93 -6.946 -5.212 -6.134 1.00 0.00 C ATOM 1462 O THR A 93 -6.162 -4.382 -6.607 1.00 0.00 O ATOM 1463 CB THR A 93 -6.929 -5.319 -3.626 1.00 0.00 C ATOM 1464 OG1 THR A 93 -8.027 -4.424 -3.840 1.00 0.00 O ATOM 1465 CG2 THR A 93 -5.745 -4.550 -3.061 1.00 0.00 C ATOM 0 H THR A 93 -4.512 -5.669 -5.048 1.00 0.00 H new ATOM 0 HA THR A 93 -7.144 -6.984 -4.945 1.00 0.00 H new ATOM 0 HB THR A 93 -7.215 -6.079 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.834 -4.940 -4.046 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.044 -4.046 -2.142 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.930 -5.242 -2.847 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.411 -3.810 -3.788 1.00 0.00 H new ATOM 1473 N THR A 94 -8.137 -5.461 -6.640 1.00 0.00 N ATOM 1474 CA THR A 94 -8.643 -4.749 -7.802 1.00 0.00 C ATOM 1475 C THR A 94 -10.030 -4.168 -7.527 1.00 0.00 C ATOM 1476 O THR A 94 -10.941 -4.885 -7.107 1.00 0.00 O ATOM 1477 CB THR A 94 -8.692 -5.676 -9.033 1.00 0.00 C ATOM 1478 OG1 THR A 94 -7.402 -6.272 -9.231 1.00 0.00 O ATOM 1479 CG2 THR A 94 -9.096 -4.904 -10.283 1.00 0.00 C ATOM 0 H THR A 94 -8.780 -6.157 -6.262 1.00 0.00 H new ATOM 0 HA THR A 94 -7.959 -3.926 -8.011 1.00 0.00 H new ATOM 0 HB THR A 94 -9.437 -6.451 -8.854 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.431 -6.863 -10.012 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.123 -5.582 -11.136 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.083 -4.466 -10.137 1.00 0.00 H new ATOM 0 HG23 THR A 94 -8.371 -4.112 -10.471 1.00 0.00 H new ATOM 1487 N PHE A 95 -10.181 -2.869 -7.753 1.00 0.00 N ATOM 1488 CA PHE A 95 -11.468 -2.207 -7.596 1.00 0.00 C ATOM 1489 C PHE A 95 -11.730 -1.287 -8.781 1.00 0.00 C ATOM 1490 O PHE A 95 -11.034 -0.290 -8.954 1.00 0.00 O ATOM 1491 CB PHE A 95 -11.495 -1.404 -6.288 1.00 0.00 C ATOM 1492 CG PHE A 95 -12.701 -0.514 -6.138 1.00 0.00 C ATOM 1493 CD1 PHE A 95 -13.948 -1.049 -5.853 1.00 0.00 C ATOM 1494 CD2 PHE A 95 -12.583 0.860 -6.284 1.00 0.00 C ATOM 1495 CE1 PHE A 95 -15.053 -0.229 -5.716 1.00 0.00 C ATOM 1496 CE2 PHE A 95 -13.683 1.683 -6.147 1.00 0.00 C ATOM 1497 CZ PHE A 95 -14.921 1.138 -5.865 1.00 0.00 C ATOM 0 H PHE A 95 -9.424 -2.252 -8.047 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.251 -2.965 -7.558 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -11.462 -2.097 -5.448 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -10.595 -0.791 -6.232 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -14.057 -2.117 -5.737 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -11.619 1.292 -6.508 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -16.019 -0.657 -5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -13.576 2.752 -6.260 1.00 0.00 H new ATOM 0 HZ PHE A 95 -15.784 1.779 -5.761 1.00 0.00 H new ATOM 1507 N LYS A 96 -12.745 -1.621 -9.580 1.00 0.00 N ATOM 1508 CA LYS A 96 -13.105 -0.850 -10.776 1.00 0.00 C ATOM 1509 C LYS A 96 -11.945 -0.804 -11.782 1.00 0.00 C ATOM 1510 O LYS A 96 -11.899 -1.595 -12.724 1.00 0.00 O ATOM 1511 CB LYS A 96 -13.557 0.566 -10.387 1.00 0.00 C ATOM 1512 CG LYS A 96 -13.907 1.454 -11.567 1.00 0.00 C ATOM 1513 CD LYS A 96 -14.332 2.832 -11.100 1.00 0.00 C ATOM 1514 CE LYS A 96 -13.234 3.499 -10.289 1.00 0.00 C ATOM 1515 NZ LYS A 96 -13.586 4.891 -9.906 1.00 0.00 N ATOM 0 H LYS A 96 -13.341 -2.432 -9.418 1.00 0.00 H new ATOM 0 HA LYS A 96 -13.939 -1.354 -11.264 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -14.426 0.491 -9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.764 1.043 -9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.046 1.540 -12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.711 0.998 -12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.578 3.451 -11.962 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -15.236 2.752 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -13.043 2.914 -9.390 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.310 3.506 -10.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.808 5.306 -9.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.744 5.458 -10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.453 4.884 -9.331 1.00 0.00 H new ATOM 1529 N GLY A 97 -11.015 0.121 -11.573 1.00 0.00 N ATOM 1530 CA GLY A 97 -9.841 0.218 -12.403 1.00 0.00 C ATOM 1531 C GLY A 97 -8.617 0.500 -11.564 1.00 0.00 C ATOM 1532 O GLY A 97 -7.540 0.804 -12.080 1.00 0.00 O ATOM 0 H GLY A 97 -11.061 0.815 -10.827 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.703 -0.711 -12.956 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -9.974 1.011 -13.139 1.00 0.00 H new ATOM 1536 N ILE A 98 -8.798 0.389 -10.254 1.00 0.00 N ATOM 1537 CA ILE A 98 -7.739 0.620 -9.297 1.00 0.00 C ATOM 1538 C ILE A 98 -7.029 -0.686 -9.044 1.00 0.00 C ATOM 1539 O ILE A 98 -7.613 -1.630 -8.505 1.00 0.00 O ATOM 1540 CB ILE A 98 -8.262 1.183 -7.962 1.00 0.00 C ATOM 1541 CG1 ILE A 98 -8.917 2.550 -8.173 1.00 0.00 C ATOM 1542 CG2 ILE A 98 -7.133 1.283 -6.938 1.00 0.00 C ATOM 1543 CD1 ILE A 98 -8.437 3.285 -9.404 1.00 0.00 C ATOM 0 H ILE A 98 -9.690 0.135 -9.830 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.062 1.364 -9.717 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.015 0.496 -7.575 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -9.997 2.416 -8.242 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -8.728 3.170 -7.297 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.525 1.683 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.713 0.293 -6.762 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.355 1.945 -7.318 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -8.951 4.243 -9.479 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.363 3.454 -9.331 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.651 2.688 -10.291 1.00 0.00 H new ATOM 1555 N LYS A 99 -5.787 -0.750 -9.454 1.00 0.00 N ATOM 1556 CA LYS A 99 -5.056 -1.987 -9.408 1.00 0.00 C ATOM 1557 C LYS A 99 -3.887 -1.870 -8.445 1.00 0.00 C ATOM 1558 O LYS A 99 -3.009 -1.024 -8.622 1.00 0.00 O ATOM 1559 CB LYS A 99 -4.598 -2.330 -10.813 1.00 0.00 C ATOM 1560 CG LYS A 99 -4.526 -3.815 -11.091 1.00 0.00 C ATOM 1561 CD LYS A 99 -4.370 -4.077 -12.581 1.00 0.00 C ATOM 1562 CE LYS A 99 -4.000 -5.521 -12.874 1.00 0.00 C ATOM 1563 NZ LYS A 99 -2.577 -5.806 -12.548 1.00 0.00 N ATOM 0 H LYS A 99 -5.262 0.043 -9.824 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.693 -2.792 -9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.279 -1.869 -11.529 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.614 -1.891 -10.981 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.686 -4.251 -10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.429 -4.303 -10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.302 -3.832 -13.091 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.602 -3.418 -12.986 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.644 -6.185 -12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.181 -5.736 -13.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.341 -6.776 -12.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.964 -5.134 -13.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.429 -5.708 -11.523 1.00 0.00 H new ATOM 1577 N SER A 100 -3.898 -2.688 -7.405 1.00 0.00 N ATOM 1578 CA SER A 100 -2.837 -2.673 -6.416 1.00 0.00 C ATOM 1579 C SER A 100 -2.124 -4.017 -6.395 1.00 0.00 C ATOM 1580 O SER A 100 -2.738 -5.042 -6.105 1.00 0.00 O ATOM 1581 CB SER A 100 -3.424 -2.377 -5.036 1.00 0.00 C ATOM 1582 OG SER A 100 -4.350 -1.307 -5.101 1.00 0.00 O ATOM 0 H SER A 100 -4.633 -3.372 -7.225 1.00 0.00 H new ATOM 0 HA SER A 100 -2.119 -1.896 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 100 -3.918 -3.268 -4.647 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.622 -2.128 -4.341 1.00 0.00 H new ATOM 0 HG SER A 100 -4.715 -1.135 -4.208 1.00 0.00 H new ATOM 1588 N VAL A 101 -0.832 -4.005 -6.688 1.00 0.00 N ATOM 1589 CA VAL A 101 -0.043 -5.223 -6.722 1.00 0.00 C ATOM 1590 C VAL A 101 1.079 -5.157 -5.689 1.00 0.00 C ATOM 1591 O VAL A 101 1.932 -4.269 -5.746 1.00 0.00 O ATOM 1592 CB VAL A 101 0.576 -5.430 -8.121 1.00 0.00 C ATOM 1593 CG1 VAL A 101 1.453 -6.668 -8.145 1.00 0.00 C ATOM 1594 CG2 VAL A 101 -0.509 -5.517 -9.179 1.00 0.00 C ATOM 0 H VAL A 101 -0.307 -3.158 -6.907 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.704 -6.058 -6.492 1.00 0.00 H new ATOM 0 HB VAL A 101 1.203 -4.568 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.878 -6.793 -9.141 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.258 -6.558 -7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.854 -7.543 -7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.052 -5.663 -10.158 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.167 -6.357 -8.957 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.088 -4.594 -9.183 1.00 0.00 H new ATOM 1604 N THR A 102 1.066 -6.077 -4.741 1.00 0.00 N ATOM 1605 CA THR A 102 2.126 -6.179 -3.751 1.00 0.00 C ATOM 1606 C THR A 102 2.842 -7.526 -3.855 1.00 0.00 C ATOM 1607 O THR A 102 2.212 -8.573 -3.740 1.00 0.00 O ATOM 1608 CB THR A 102 1.567 -5.991 -2.328 1.00 0.00 C ATOM 1609 OG1 THR A 102 0.780 -4.793 -2.276 1.00 0.00 O ATOM 1610 CG2 THR A 102 2.688 -5.908 -1.303 1.00 0.00 C ATOM 0 H THR A 102 0.326 -6.771 -4.635 1.00 0.00 H new ATOM 0 HA THR A 102 2.845 -5.385 -3.953 1.00 0.00 H new ATOM 0 HB THR A 102 0.947 -6.855 -2.088 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.960 -4.319 -1.437 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.262 -5.775 -0.308 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.273 -6.828 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.333 -5.061 -1.537 1.00 0.00 H new ATOM 1618 N GLU A 103 4.149 -7.500 -4.075 1.00 0.00 N ATOM 1619 CA GLU A 103 4.929 -8.730 -4.180 1.00 0.00 C ATOM 1620 C GLU A 103 6.142 -8.681 -3.256 1.00 0.00 C ATOM 1621 O GLU A 103 6.901 -7.708 -3.263 1.00 0.00 O ATOM 1622 CB GLU A 103 5.378 -8.937 -5.628 1.00 0.00 C ATOM 1623 CG GLU A 103 5.990 -10.268 -5.910 1.00 0.00 C ATOM 1624 CD GLU A 103 6.394 -10.423 -7.361 1.00 0.00 C ATOM 1625 OE1 GLU A 103 5.542 -10.814 -8.181 1.00 0.00 O ATOM 1626 OE2 GLU A 103 7.566 -10.150 -7.693 1.00 0.00 O ATOM 0 H GLU A 103 4.693 -6.644 -4.184 1.00 0.00 H new ATOM 0 HA GLU A 103 4.301 -9.567 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.517 -8.803 -6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.098 -8.160 -5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.866 -10.404 -5.276 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.281 -11.053 -5.647 1.00 0.00 H new ATOM 1633 N PHE A 104 6.311 -9.724 -2.452 1.00 0.00 N ATOM 1634 CA PHE A 104 7.445 -9.840 -1.574 1.00 0.00 C ATOM 1635 C PHE A 104 8.537 -10.666 -2.240 1.00 0.00 C ATOM 1636 O PHE A 104 8.305 -11.808 -2.620 1.00 0.00 O ATOM 1637 CB PHE A 104 7.008 -10.531 -0.291 1.00 0.00 C ATOM 1638 CG PHE A 104 5.986 -9.785 0.517 1.00 0.00 C ATOM 1639 CD1 PHE A 104 5.779 -8.438 0.337 1.00 0.00 C ATOM 1640 CD2 PHE A 104 5.239 -10.449 1.464 1.00 0.00 C ATOM 1641 CE1 PHE A 104 4.841 -7.759 1.094 1.00 0.00 C ATOM 1642 CE2 PHE A 104 4.300 -9.784 2.227 1.00 0.00 C ATOM 1643 CZ PHE A 104 4.101 -8.434 2.041 1.00 0.00 C ATOM 0 H PHE A 104 5.660 -10.507 -2.398 1.00 0.00 H new ATOM 0 HA PHE A 104 7.834 -8.846 -1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.604 -11.511 -0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.887 -10.700 0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 104 6.355 -7.904 -0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.390 -11.508 1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 104 4.689 -6.701 0.943 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.724 -10.320 2.967 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.369 -7.907 2.634 1.00 0.00 H new ATOM 1653 N ASN A 105 9.708 -10.096 -2.424 1.00 0.00 N ATOM 1654 CA ASN A 105 10.818 -10.845 -2.968 1.00 0.00 C ATOM 1655 C ASN A 105 12.025 -10.757 -2.051 1.00 0.00 C ATOM 1656 O ASN A 105 12.604 -9.684 -1.871 1.00 0.00 O ATOM 1657 CB ASN A 105 11.146 -10.352 -4.371 1.00 0.00 C ATOM 1658 CG ASN A 105 10.557 -11.249 -5.449 1.00 0.00 C ATOM 1659 OD1 ASN A 105 11.105 -11.368 -6.544 1.00 0.00 O ATOM 1660 ND2 ASN A 105 9.442 -11.901 -5.142 1.00 0.00 N ATOM 0 H ASN A 105 9.915 -9.121 -2.206 1.00 0.00 H new ATOM 0 HA ASN A 105 10.535 -11.895 -3.037 1.00 0.00 H new ATOM 0 HB2 ASN A 105 10.765 -9.339 -4.496 1.00 0.00 H new ATOM 0 HB3 ASN A 105 12.228 -10.303 -4.493 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.012 -12.525 -5.824 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.015 -11.778 -4.224 1.00 0.00 H new ATOM 1667 N GLY A 106 12.386 -11.889 -1.461 1.00 0.00 N ATOM 1668 CA GLY A 106 13.485 -11.921 -0.517 1.00 0.00 C ATOM 1669 C GLY A 106 13.153 -11.174 0.757 1.00 0.00 C ATOM 1670 O GLY A 106 12.422 -11.679 1.607 1.00 0.00 O ATOM 0 H GLY A 106 11.935 -12.790 -1.621 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.729 -12.956 -0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.371 -11.482 -0.976 1.00 0.00 H new ATOM 1674 N ASP A 107 13.679 -9.965 0.879 1.00 0.00 N ATOM 1675 CA ASP A 107 13.415 -9.123 2.038 1.00 0.00 C ATOM 1676 C ASP A 107 12.938 -7.752 1.584 1.00 0.00 C ATOM 1677 O ASP A 107 12.969 -6.784 2.343 1.00 0.00 O ATOM 1678 CB ASP A 107 14.669 -8.966 2.907 1.00 0.00 C ATOM 1679 CG ASP A 107 15.100 -10.259 3.572 1.00 0.00 C ATOM 1680 OD1 ASP A 107 15.810 -11.057 2.923 1.00 0.00 O ATOM 1681 OD2 ASP A 107 14.751 -10.473 4.756 1.00 0.00 O ATOM 0 H ASP A 107 14.295 -9.542 0.185 1.00 0.00 H new ATOM 0 HA ASP A 107 12.640 -9.604 2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.486 -8.592 2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.480 -8.216 3.675 1.00 0.00 H new ATOM 1686 N THR A 108 12.511 -7.659 0.337 1.00 0.00 N ATOM 1687 CA THR A 108 12.049 -6.393 -0.197 1.00 0.00 C ATOM 1688 C THR A 108 10.697 -6.527 -0.867 1.00 0.00 C ATOM 1689 O THR A 108 10.361 -7.563 -1.443 1.00 0.00 O ATOM 1690 CB THR A 108 13.064 -5.767 -1.176 1.00 0.00 C ATOM 1691 OG1 THR A 108 13.464 -6.728 -2.162 1.00 0.00 O ATOM 1692 CG2 THR A 108 14.288 -5.249 -0.434 1.00 0.00 C ATOM 0 H THR A 108 12.475 -8.439 -0.319 1.00 0.00 H new ATOM 0 HA THR A 108 11.948 -5.723 0.657 1.00 0.00 H new ATOM 0 HB THR A 108 12.578 -4.927 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 108 12.985 -7.570 -2.011 1.00 0.00 H new ATOM 0 HG21 THR A 108 14.988 -4.813 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 108 13.983 -4.490 0.286 1.00 0.00 H new ATOM 0 HG23 THR A 108 14.771 -6.073 0.091 1.00 0.00 H new ATOM 1700 N ILE A 109 9.926 -5.464 -0.767 1.00 0.00 N ATOM 1701 CA ILE A 109 8.566 -5.444 -1.243 1.00 0.00 C ATOM 1702 C ILE A 109 8.430 -4.530 -2.446 1.00 0.00 C ATOM 1703 O ILE A 109 8.861 -3.374 -2.412 1.00 0.00 O ATOM 1704 CB ILE A 109 7.618 -4.938 -0.144 1.00 0.00 C ATOM 1705 CG1 ILE A 109 7.795 -5.750 1.139 1.00 0.00 C ATOM 1706 CG2 ILE A 109 6.178 -5.003 -0.618 1.00 0.00 C ATOM 1707 CD1 ILE A 109 6.781 -5.397 2.207 1.00 0.00 C ATOM 0 H ILE A 109 10.232 -4.585 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 109 8.302 -6.464 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 109 7.867 -3.899 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.713 -6.811 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.799 -5.586 1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.519 -4.642 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.058 -4.380 -1.505 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.921 -6.034 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.958 -6.007 3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.878 -4.343 2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.776 -5.587 1.831 1.00 0.00 H new ATOM 1719 N THR A 110 7.846 -5.044 -3.507 1.00 0.00 N ATOM 1720 CA THR A 110 7.475 -4.207 -4.620 1.00 0.00 C ATOM 1721 C THR A 110 5.967 -3.986 -4.605 1.00 0.00 C ATOM 1722 O THR A 110 5.188 -4.937 -4.672 1.00 0.00 O ATOM 1723 CB THR A 110 7.890 -4.820 -5.970 1.00 0.00 C ATOM 1724 OG1 THR A 110 9.307 -5.055 -5.987 1.00 0.00 O ATOM 1725 CG2 THR A 110 7.520 -3.882 -7.106 1.00 0.00 C ATOM 0 H THR A 110 7.620 -6.032 -3.619 1.00 0.00 H new ATOM 0 HA THR A 110 8.001 -3.258 -4.512 1.00 0.00 H new ATOM 0 HB THR A 110 7.364 -5.766 -6.100 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.563 -5.447 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.818 -4.326 -8.056 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.443 -3.717 -7.105 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.033 -2.930 -6.973 1.00 0.00 H new ATOM 1733 N ASN A 111 5.567 -2.731 -4.488 1.00 0.00 N ATOM 1734 CA ASN A 111 4.154 -2.377 -4.534 1.00 0.00 C ATOM 1735 C ASN A 111 3.881 -1.458 -5.712 1.00 0.00 C ATOM 1736 O ASN A 111 4.505 -0.411 -5.854 1.00 0.00 O ATOM 1737 CB ASN A 111 3.719 -1.712 -3.225 1.00 0.00 C ATOM 1738 CG ASN A 111 2.296 -1.179 -3.278 1.00 0.00 C ATOM 1739 OD1 ASN A 111 2.069 -0.014 -3.602 1.00 0.00 O ATOM 1740 ND2 ASN A 111 1.328 -2.024 -2.963 1.00 0.00 N ATOM 0 H ASN A 111 6.198 -1.940 -4.361 1.00 0.00 H new ATOM 0 HA ASN A 111 3.574 -3.291 -4.661 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.802 -2.433 -2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.400 -0.893 -2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.356 -1.716 -2.984 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.554 -2.983 -2.699 1.00 0.00 H new ATOM 1747 N THR A 112 2.977 -1.878 -6.577 1.00 0.00 N ATOM 1748 CA THR A 112 2.602 -1.083 -7.730 1.00 0.00 C ATOM 1749 C THR A 112 1.101 -0.799 -7.717 1.00 0.00 C ATOM 1750 O THR A 112 0.294 -1.727 -7.764 1.00 0.00 O ATOM 1751 CB THR A 112 2.975 -1.811 -9.035 1.00 0.00 C ATOM 1752 OG1 THR A 112 3.946 -2.832 -8.762 1.00 0.00 O ATOM 1753 CG2 THR A 112 3.552 -0.837 -10.041 1.00 0.00 C ATOM 0 H THR A 112 2.487 -2.769 -6.502 1.00 0.00 H new ATOM 0 HA THR A 112 3.146 -0.140 -7.681 1.00 0.00 H new ATOM 0 HB THR A 112 2.072 -2.259 -9.449 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.179 -3.293 -9.595 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.810 -1.369 -10.957 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.815 -0.066 -10.265 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.447 -0.374 -9.627 1.00 0.00 H new ATOM 1761 N MET A 113 0.724 0.468 -7.628 1.00 0.00 N ATOM 1762 CA MET A 113 -0.660 0.846 -7.672 1.00 0.00 C ATOM 1763 C MET A 113 -0.907 1.746 -8.867 1.00 0.00 C ATOM 1764 O MET A 113 -0.040 2.512 -9.259 1.00 0.00 O ATOM 1765 CB MET A 113 -1.034 1.550 -6.382 1.00 0.00 C ATOM 1766 CG MET A 113 -2.319 1.032 -5.809 1.00 0.00 C ATOM 1767 SD MET A 113 -2.641 1.608 -4.130 1.00 0.00 S ATOM 1768 CE MET A 113 -1.245 0.911 -3.250 1.00 0.00 C ATOM 0 H MET A 113 1.372 1.249 -7.524 1.00 0.00 H new ATOM 0 HA MET A 113 -1.281 -0.044 -7.776 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.234 1.420 -5.653 1.00 0.00 H new ATOM 0 HB3 MET A 113 -1.125 2.620 -6.567 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.144 1.336 -6.454 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.296 -0.058 -5.813 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.498 0.801 -2.196 1.00 0.00 H new ATOM 0 HE2 MET A 113 -1.002 -0.065 -3.669 1.00 0.00 H new ATOM 0 HE3 MET A 113 -0.385 1.573 -3.349 1.00 0.00 H new ATOM 1778 N THR A 114 -2.072 1.644 -9.464 1.00 0.00 N ATOM 1779 CA THR A 114 -2.361 2.404 -10.657 1.00 0.00 C ATOM 1780 C THR A 114 -3.677 3.156 -10.506 1.00 0.00 C ATOM 1781 O THR A 114 -4.717 2.545 -10.257 1.00 0.00 O ATOM 1782 CB THR A 114 -2.440 1.470 -11.885 1.00 0.00 C ATOM 1783 OG1 THR A 114 -1.365 0.520 -11.835 1.00 0.00 O ATOM 1784 CG2 THR A 114 -2.347 2.261 -13.181 1.00 0.00 C ATOM 0 H THR A 114 -2.832 1.044 -9.144 1.00 0.00 H new ATOM 0 HA THR A 114 -1.555 3.123 -10.804 1.00 0.00 H new ATOM 0 HB THR A 114 -3.400 0.954 -11.860 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.416 -0.073 -12.613 1.00 0.00 H new ATOM 0 HG21 THR A 114 -2.405 1.578 -14.029 1.00 0.00 H new ATOM 0 HG22 THR A 114 -3.170 2.974 -13.232 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.399 2.798 -13.212 1.00 0.00 H new ATOM 1792 N LEU A 115 -3.635 4.475 -10.637 1.00 0.00 N ATOM 1793 CA LEU A 115 -4.845 5.255 -10.727 1.00 0.00 C ATOM 1794 C LEU A 115 -5.015 5.612 -12.182 1.00 0.00 C ATOM 1795 O LEU A 115 -4.215 6.367 -12.683 1.00 0.00 O ATOM 1796 CB LEU A 115 -4.713 6.516 -9.872 1.00 0.00 C ATOM 1797 CG LEU A 115 -5.692 6.622 -8.714 1.00 0.00 C ATOM 1798 CD1 LEU A 115 -7.109 6.549 -9.218 1.00 0.00 C ATOM 1799 CD2 LEU A 115 -5.431 5.495 -7.757 1.00 0.00 C ATOM 0 H LEU A 115 -2.774 5.019 -10.683 1.00 0.00 H new ATOM 0 HA LEU A 115 -5.710 4.701 -10.361 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.699 6.561 -9.474 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.842 7.386 -10.516 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.556 7.578 -8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.799 6.626 -8.377 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.291 7.369 -9.913 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.265 5.599 -9.729 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.127 5.559 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.567 4.543 -8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -4.409 5.563 -7.384 1.00 0.00 H new ATOM 1811 N GLY A 116 -6.062 5.097 -12.830 1.00 0.00 N ATOM 1812 CA GLY A 116 -6.105 5.010 -14.295 1.00 0.00 C ATOM 1813 C GLY A 116 -5.727 6.274 -15.048 1.00 0.00 C ATOM 1814 O GLY A 116 -6.600 7.005 -15.524 1.00 0.00 O ATOM 0 H GLY A 116 -6.893 4.733 -12.365 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -5.437 4.209 -14.611 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.113 4.721 -14.593 1.00 0.00 H new ATOM 1818 N ASP A 117 -4.413 6.469 -15.169 1.00 0.00 N ATOM 1819 CA ASP A 117 -3.779 7.597 -15.847 1.00 0.00 C ATOM 1820 C ASP A 117 -2.375 7.729 -15.272 1.00 0.00 C ATOM 1821 O ASP A 117 -1.434 8.172 -15.928 1.00 0.00 O ATOM 1822 CB ASP A 117 -4.552 8.896 -15.606 1.00 0.00 C ATOM 1823 CG ASP A 117 -3.921 10.107 -16.263 1.00 0.00 C ATOM 1824 OD1 ASP A 117 -3.668 10.066 -17.484 1.00 0.00 O ATOM 1825 OD2 ASP A 117 -3.709 11.121 -15.567 1.00 0.00 O ATOM 0 H ASP A 117 -3.733 5.816 -14.780 1.00 0.00 H new ATOM 0 HA ASP A 117 -3.761 7.421 -16.923 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -5.569 8.779 -15.980 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.625 9.072 -14.533 1.00 0.00 H new ATOM 1830 N ILE A 118 -2.274 7.309 -14.016 1.00 0.00 N ATOM 1831 CA ILE A 118 -1.071 7.425 -13.209 1.00 0.00 C ATOM 1832 C ILE A 118 -0.517 6.045 -12.838 1.00 0.00 C ATOM 1833 O ILE A 118 -1.289 5.124 -12.565 1.00 0.00 O ATOM 1834 CB ILE A 118 -1.379 8.231 -11.920 1.00 0.00 C ATOM 1835 CG1 ILE A 118 -1.641 7.345 -10.707 1.00 0.00 C ATOM 1836 CG2 ILE A 118 -2.582 9.112 -12.123 1.00 0.00 C ATOM 1837 CD1 ILE A 118 -0.399 7.138 -9.885 1.00 0.00 C ATOM 0 H ILE A 118 -3.048 6.867 -13.520 1.00 0.00 H new ATOM 0 HA ILE A 118 -0.316 7.948 -13.797 1.00 0.00 H new ATOM 0 HB ILE A 118 -0.487 8.826 -11.723 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.415 7.798 -10.087 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -2.022 6.379 -11.038 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.783 9.670 -11.208 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -2.389 9.809 -12.938 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -3.447 8.496 -12.370 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.630 6.501 -9.031 1.00 0.00 H new ATOM 0 HD12 ILE A 118 0.367 6.661 -10.497 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.032 8.101 -9.531 1.00 0.00 H new ATOM 1849 N VAL A 119 0.803 5.878 -12.848 1.00 0.00 N ATOM 1850 CA VAL A 119 1.393 4.651 -12.348 1.00 0.00 C ATOM 1851 C VAL A 119 2.190 4.904 -11.060 1.00 0.00 C ATOM 1852 O VAL A 119 3.187 5.619 -11.054 1.00 0.00 O ATOM 1853 CB VAL A 119 2.274 3.977 -13.417 1.00 0.00 C ATOM 1854 CG1 VAL A 119 3.304 4.948 -13.937 1.00 0.00 C ATOM 1855 CG2 VAL A 119 2.928 2.717 -12.870 1.00 0.00 C ATOM 0 H VAL A 119 1.471 6.568 -13.192 1.00 0.00 H new ATOM 0 HA VAL A 119 0.578 3.968 -12.110 1.00 0.00 H new ATOM 0 HB VAL A 119 1.638 3.679 -14.250 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.919 4.457 -14.691 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.802 5.808 -14.381 1.00 0.00 H new ATOM 0 HG13 VAL A 119 3.937 5.282 -13.115 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.544 2.261 -13.645 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.552 2.973 -12.014 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.157 2.013 -12.559 1.00 0.00 H new ATOM 1865 N TYR A 120 1.735 4.316 -9.969 1.00 0.00 N ATOM 1866 CA TYR A 120 2.404 4.452 -8.683 1.00 0.00 C ATOM 1867 C TYR A 120 3.242 3.212 -8.427 1.00 0.00 C ATOM 1868 O TYR A 120 2.721 2.105 -8.352 1.00 0.00 O ATOM 1869 CB TYR A 120 1.354 4.646 -7.570 1.00 0.00 C ATOM 1870 CG TYR A 120 1.847 4.473 -6.140 1.00 0.00 C ATOM 1871 CD1 TYR A 120 3.101 4.911 -5.731 1.00 0.00 C ATOM 1872 CD2 TYR A 120 1.027 3.874 -5.189 1.00 0.00 C ATOM 1873 CE1 TYR A 120 3.516 4.753 -4.420 1.00 0.00 C ATOM 1874 CE2 TYR A 120 1.437 3.714 -3.883 1.00 0.00 C ATOM 1875 CZ TYR A 120 2.682 4.155 -3.504 1.00 0.00 C ATOM 1876 OH TYR A 120 3.095 4.007 -2.199 1.00 0.00 O ATOM 0 H TYR A 120 0.898 3.734 -9.946 1.00 0.00 H new ATOM 0 HA TYR A 120 3.058 5.324 -8.691 1.00 0.00 H new ATOM 0 HB2 TYR A 120 0.933 5.646 -7.668 1.00 0.00 H new ATOM 0 HB3 TYR A 120 0.541 3.940 -7.740 1.00 0.00 H new ATOM 0 HD1 TYR A 120 3.760 5.381 -6.446 1.00 0.00 H new ATOM 0 HD2 TYR A 120 0.047 3.527 -5.481 1.00 0.00 H new ATOM 0 HE1 TYR A 120 4.493 5.099 -4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 120 0.784 3.245 -3.162 1.00 0.00 H new ATOM 0 HH TYR A 120 2.389 3.567 -1.680 1.00 0.00 H new ATOM 1886 N LYS A 121 4.536 3.400 -8.299 1.00 0.00 N ATOM 1887 CA LYS A 121 5.427 2.296 -8.029 1.00 0.00 C ATOM 1888 C LYS A 121 6.208 2.603 -6.764 1.00 0.00 C ATOM 1889 O LYS A 121 6.720 3.700 -6.593 1.00 0.00 O ATOM 1890 CB LYS A 121 6.344 2.040 -9.231 1.00 0.00 C ATOM 1891 CG LYS A 121 6.798 0.602 -9.357 1.00 0.00 C ATOM 1892 CD LYS A 121 7.944 0.297 -8.438 1.00 0.00 C ATOM 1893 CE LYS A 121 9.230 0.930 -8.938 1.00 0.00 C ATOM 1894 NZ LYS A 121 10.301 0.932 -7.907 1.00 0.00 N ATOM 0 H LYS A 121 4.994 4.308 -8.378 1.00 0.00 H new ATOM 0 HA LYS A 121 4.859 1.379 -7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.821 2.327 -10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 121 7.221 2.682 -9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 121 5.965 -0.063 -9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.095 0.404 -10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.719 0.665 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 121 8.073 -0.782 -8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.579 0.390 -9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.029 1.955 -9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 11.158 1.374 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 9.982 1.469 -7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.514 -0.046 -7.626 1.00 0.00 H new ATOM 1908 N ARG A 122 6.257 1.650 -5.869 1.00 0.00 N ATOM 1909 CA ARG A 122 6.767 1.890 -4.533 1.00 0.00 C ATOM 1910 C ARG A 122 7.904 0.940 -4.175 1.00 0.00 C ATOM 1911 O ARG A 122 7.794 -0.274 -4.360 1.00 0.00 O ATOM 1912 CB ARG A 122 5.601 1.736 -3.556 1.00 0.00 C ATOM 1913 CG ARG A 122 5.981 1.678 -2.092 1.00 0.00 C ATOM 1914 CD ARG A 122 4.750 1.387 -1.256 1.00 0.00 C ATOM 1915 NE ARG A 122 5.070 1.071 0.131 1.00 0.00 N ATOM 1916 CZ ARG A 122 4.218 1.213 1.144 1.00 0.00 C ATOM 1917 NH1 ARG A 122 3.001 1.708 0.929 1.00 0.00 N ATOM 1918 NH2 ARG A 122 4.586 0.862 2.369 1.00 0.00 N ATOM 0 H ARG A 122 5.949 0.692 -6.038 1.00 0.00 H new ATOM 0 HA ARG A 122 7.184 2.896 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.914 2.570 -3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.056 0.826 -3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.732 0.905 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.426 2.624 -1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.086 2.251 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.206 0.552 -1.698 1.00 0.00 H new ATOM 0 HE ARG A 122 6.005 0.719 0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.720 1.979 -0.013 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.350 1.816 1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.519 0.485 2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.936 0.970 3.147 1.00 0.00 H new ATOM 1932 N VAL A 123 8.992 1.501 -3.653 1.00 0.00 N ATOM 1933 CA VAL A 123 10.083 0.701 -3.121 1.00 0.00 C ATOM 1934 C VAL A 123 9.985 0.657 -1.601 1.00 0.00 C ATOM 1935 O VAL A 123 10.006 1.685 -0.914 1.00 0.00 O ATOM 1936 CB VAL A 123 11.479 1.210 -3.564 1.00 0.00 C ATOM 1937 CG1 VAL A 123 11.738 2.622 -3.121 1.00 0.00 C ATOM 1938 CG2 VAL A 123 12.547 0.284 -3.031 1.00 0.00 C ATOM 0 H VAL A 123 9.138 2.508 -3.589 1.00 0.00 H new ATOM 0 HA VAL A 123 9.982 -0.304 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 123 11.503 1.212 -4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.728 2.932 -3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 123 10.986 3.282 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 123 11.688 2.677 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 123 13.528 0.642 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 123 12.498 0.261 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 123 12.386 -0.720 -3.423 1.00 0.00 H new ATOM 1948 N SER A 124 9.797 -0.545 -1.096 1.00 0.00 N ATOM 1949 CA SER A 124 9.733 -0.794 0.326 1.00 0.00 C ATOM 1950 C SER A 124 10.632 -1.966 0.688 1.00 0.00 C ATOM 1951 O SER A 124 10.661 -2.973 -0.016 1.00 0.00 O ATOM 1952 CB SER A 124 8.284 -1.070 0.711 1.00 0.00 C ATOM 1953 OG SER A 124 7.517 0.111 0.578 1.00 0.00 O ATOM 0 H SER A 124 9.684 -1.382 -1.667 1.00 0.00 H new ATOM 0 HA SER A 124 10.085 0.077 0.878 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.873 -1.854 0.076 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.234 -1.433 1.738 1.00 0.00 H new ATOM 0 HG SER A 124 7.246 0.427 1.465 1.00 0.00 H new ATOM 1959 N LYS A 125 11.373 -1.835 1.772 1.00 0.00 N ATOM 1960 CA LYS A 125 12.331 -2.862 2.143 1.00 0.00 C ATOM 1961 C LYS A 125 12.255 -3.181 3.626 1.00 0.00 C ATOM 1962 O LYS A 125 11.889 -2.334 4.440 1.00 0.00 O ATOM 1963 CB LYS A 125 13.747 -2.455 1.725 1.00 0.00 C ATOM 1964 CG LYS A 125 14.112 -1.033 2.044 1.00 0.00 C ATOM 1965 CD LYS A 125 14.645 -0.864 3.449 1.00 0.00 C ATOM 1966 CE LYS A 125 16.054 -1.372 3.537 1.00 0.00 C ATOM 1967 NZ LYS A 125 16.378 -1.956 4.868 1.00 0.00 N ATOM 0 H LYS A 125 11.332 -1.037 2.406 1.00 0.00 H new ATOM 0 HA LYS A 125 12.073 -3.775 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 125 14.460 -3.117 2.215 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.853 -2.611 0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 125 14.862 -0.687 1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.234 -0.400 1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.612 0.188 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.012 -1.404 4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.211 -2.127 2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.743 -0.554 3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 17.140 -2.656 4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.687 -1.201 5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.533 -2.420 5.258 1.00 0.00 H new ATOM 1981 N ARG A 126 12.589 -4.416 3.954 1.00 0.00 N ATOM 1982 CA ARG A 126 12.520 -4.914 5.316 1.00 0.00 C ATOM 1983 C ARG A 126 13.575 -4.240 6.176 1.00 0.00 C ATOM 1984 O ARG A 126 14.644 -3.866 5.687 1.00 0.00 O ATOM 1985 CB ARG A 126 12.700 -6.431 5.302 1.00 0.00 C ATOM 1986 CG ARG A 126 12.427 -7.128 6.623 1.00 0.00 C ATOM 1987 CD ARG A 126 12.570 -8.634 6.466 1.00 0.00 C ATOM 1988 NE ARG A 126 12.257 -9.368 7.691 1.00 0.00 N ATOM 1989 CZ ARG A 126 12.402 -10.690 7.815 1.00 0.00 C ATOM 1990 NH1 ARG A 126 12.957 -11.398 6.835 1.00 0.00 N ATOM 1991 NH2 ARG A 126 12.025 -11.305 8.929 1.00 0.00 N ATOM 0 H ARG A 126 12.918 -5.106 3.279 1.00 0.00 H new ATOM 0 HA ARG A 126 11.547 -4.681 5.747 1.00 0.00 H new ATOM 0 HB2 ARG A 126 12.039 -6.852 4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.721 -6.657 4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.121 -6.767 7.382 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.422 -6.886 6.969 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.912 -8.975 5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.590 -8.867 6.160 1.00 0.00 H new ATOM 0 HE ARG A 126 11.910 -8.843 8.493 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.274 -10.931 5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.066 -12.407 6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.622 -10.768 9.697 1.00 0.00 H new ATOM 0 HH22 ARG A 126 12.138 -12.315 9.017 1.00 0.00 H new ATOM 2005 N ILE A 127 13.259 -4.068 7.446 1.00 0.00 N ATOM 2006 CA ILE A 127 14.083 -3.302 8.342 1.00 0.00 C ATOM 2007 C ILE A 127 15.131 -4.172 9.045 1.00 0.00 C ATOM 2008 O ILE A 127 15.926 -4.831 8.341 1.00 0.00 O ATOM 2009 CB ILE A 127 13.211 -2.580 9.384 1.00 0.00 C ATOM 2010 CG1 ILE A 127 11.941 -3.359 9.704 1.00 0.00 C ATOM 2011 CG2 ILE A 127 12.809 -1.240 8.856 1.00 0.00 C ATOM 2012 CD1 ILE A 127 12.176 -4.739 10.239 1.00 0.00 C ATOM 2013 OXT ILE A 127 15.173 -4.178 10.291 1.00 0.00 O ATOM 0 H ILE A 127 12.422 -4.458 7.879 1.00 0.00 H new ATOM 0 HA ILE A 127 14.616 -2.564 7.742 1.00 0.00 H new ATOM 0 HB ILE A 127 13.805 -2.487 10.293 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.358 -2.795 10.432 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.337 -3.432 8.800 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.191 -0.728 9.594 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.700 -0.646 8.655 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.242 -1.367 7.934 1.00 0.00 H new ATOM 0 HD11 ILE A 127 11.218 -5.220 10.439 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.730 -5.324 9.505 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.751 -4.678 11.163 1.00 0.00 H new