USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 923 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 75 SER OG : rot -33:sc= 0.373 USER MOD Set 1.2: A 102 ASN : amide:sc= 0.337 K(o=0.71,f=-1.1) USER MOD Set 2.1: A 84 HIS : no HE2:sc= 0.0494 K(o=0.1,f=-0.53) USER MOD Set 2.2: A 93 GLN : amide:sc= 0.0506 X(o=0.1,f=-0.11) USER MOD Set 3.1: A 13 HIS : no HE2:sc= -2.05 K(o=-1.9,f=-0.37) USER MOD Set 3.2: A 43 ASN : amide:sc= -0.27 X(o=-1.9,f=-1.5) USER MOD Set 3.3: A 44 THR OG1 : rot 172:sc= 1.36 USER MOD Set 3.4: A 80 THR OG1 : rot -65:sc= 0.0314 USER MOD Set 3.5: A 117 GLN : amide:sc= -0.949 K(o=-1.9,f=-0.37) USER MOD Set 4.1: A 25 TYR OH : rot 28:sc= 0.465 USER MOD Set 4.2: A 47 HIS : no HE2:sc= -2.75 K(o=-1.5,f=-6.7!) USER MOD Set 4.3: A 79 THR OG1 : rot 75:sc= 0.827 USER MOD Set 5.1: A 61 ASN : amide:sc= -0.118 K(o=0.25,f=-0.6) USER MOD Set 5.2: A 74 SER OG : rot 53:sc= 0.371 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.141 USER MOD Single : A 7 THR OG1 : rot -48:sc= 0.142 USER MOD Single : A 8 HIS : no HD1:sc= -0.838 K(o=-0.84,f=-0.15) USER MOD Single : A 11 THR OG1 : rot 71:sc= 0.98 USER MOD Single : A 12 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.82) USER MOD Single : A 14 TYR OH : rot -16:sc= 0.522 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -125:sc= -0.323 (180deg=-0.799) USER MOD Single : A 36 THR OG1 : rot 37:sc= 0.843 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -144:sc= -0.0105 (180deg=-0.468) USER MOD Single : A 49 ASN : amide:sc=-0.00356 X(o=-0.0036,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.133) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00452) USER MOD Single : A 59 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.14) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -10.5! C(o=-11!,f=-4.4!) USER MOD Single : A 68 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.27) USER MOD Single : A 72 SER OG : rot 170:sc= 0.0558 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 35:sc= 0.336 USER MOD Single : A 94 TYR OH : rot -0:sc= 0.291 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.2) USER MOD Single : A 114 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.4) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASN A 3 4.766 -5.179 1.936 1.00 0.00 N ATOM 33 CA ASN A 3 5.491 -5.428 3.141 1.00 0.00 C ATOM 34 C ASN A 3 5.781 -4.083 3.703 1.00 0.00 C ATOM 35 O ASN A 3 6.251 -3.956 4.833 1.00 0.00 O ATOM 36 CB ASN A 3 6.810 -6.179 2.916 1.00 0.00 C ATOM 37 CG ASN A 3 6.470 -7.563 2.369 1.00 0.00 C ATOM 38 OD1 ASN A 3 5.762 -8.349 3.012 1.00 0.00 O ATOM 39 ND2 ASN A 3 7.001 -7.856 1.145 1.00 0.00 N ATOM 0 HA ASN A 3 4.901 -6.064 3.801 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.444 -5.636 2.215 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.366 -6.263 3.850 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.821 -8.763 0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.578 -7.168 0.661 1.00 0.00 H new ATOM 46 N SER A 4 5.479 -3.044 2.893 1.00 0.00 N ATOM 47 CA SER A 4 5.556 -1.675 3.297 1.00 0.00 C ATOM 48 C SER A 4 4.219 -1.271 3.827 1.00 0.00 C ATOM 49 O SER A 4 4.104 -0.248 4.496 1.00 0.00 O ATOM 50 CB SER A 4 5.910 -0.734 2.135 1.00 0.00 C ATOM 51 OG SER A 4 4.939 -0.840 1.105 1.00 0.00 O ATOM 0 H SER A 4 5.172 -3.165 1.928 1.00 0.00 H new ATOM 0 HA SER A 4 6.343 -1.593 4.046 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.960 0.294 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 4 6.896 -0.984 1.743 1.00 0.00 H new ATOM 0 HG SER A 4 5.174 -0.235 0.371 1.00 0.00 H new ATOM 57 N ARG A 5 3.171 -2.065 3.510 1.00 0.00 N ATOM 58 CA ARG A 5 1.806 -1.713 3.776 1.00 0.00 C ATOM 59 C ARG A 5 1.491 -1.899 5.228 1.00 0.00 C ATOM 60 O ARG A 5 0.696 -1.141 5.787 1.00 0.00 O ATOM 61 CB ARG A 5 0.826 -2.549 2.928 1.00 0.00 C ATOM 62 CG ARG A 5 -0.621 -2.035 2.889 1.00 0.00 C ATOM 63 CD ARG A 5 -0.764 -0.655 2.241 1.00 0.00 C ATOM 64 NE ARG A 5 -2.213 -0.313 2.229 1.00 0.00 N ATOM 65 CZ ARG A 5 -2.642 0.855 1.667 1.00 0.00 C ATOM 66 NH1 ARG A 5 -1.744 1.719 1.110 1.00 0.00 N ATOM 67 NH2 ARG A 5 -3.973 1.158 1.659 1.00 0.00 N ATOM 0 H ARG A 5 3.278 -2.973 3.058 1.00 0.00 H new ATOM 0 HA ARG A 5 1.684 -0.664 3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.204 -2.595 1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.820 -3.569 3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.237 -2.749 2.343 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.010 -1.992 3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.199 0.091 2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.364 -0.664 1.227 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.889 -0.955 2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.749 1.493 1.113 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.068 2.591 0.691 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.646 0.512 2.073 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.295 2.030 1.240 1.00 0.00 H new ATOM 81 N TYR A 6 2.124 -2.902 5.881 1.00 0.00 N ATOM 82 CA TYR A 6 2.048 -3.071 7.282 1.00 0.00 C ATOM 83 C TYR A 6 2.742 -1.978 8.003 1.00 0.00 C ATOM 84 O TYR A 6 2.250 -1.574 9.047 1.00 0.00 O ATOM 85 CB TYR A 6 2.785 -4.354 7.517 1.00 0.00 C ATOM 86 CG TYR A 6 3.308 -4.557 8.864 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.503 -5.087 9.829 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.657 -4.433 9.079 1.00 0.00 C ATOM 89 CE1 TYR A 6 3.037 -5.522 11.012 1.00 0.00 C ATOM 90 CE2 TYR A 6 5.216 -4.938 10.223 1.00 0.00 C ATOM 91 CZ TYR A 6 4.407 -5.474 11.206 1.00 0.00 C ATOM 92 OH TYR A 6 4.990 -5.881 12.422 1.00 0.00 O ATOM 0 H TYR A 6 2.697 -3.603 5.411 1.00 0.00 H new ATOM 0 HA TYR A 6 1.017 -3.072 7.636 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.117 -5.182 7.280 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.617 -4.405 6.815 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.439 -5.164 9.659 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.278 -3.938 8.347 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.392 -5.901 11.791 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.288 -4.917 10.356 1.00 0.00 H new ATOM 0 HH TYR A 6 5.963 -5.776 12.370 1.00 0.00 H new ATOM 102 N THR A 7 3.897 -1.483 7.494 1.00 0.00 N ATOM 103 CA THR A 7 4.597 -0.421 8.147 1.00 0.00 C ATOM 104 C THR A 7 3.943 0.914 7.974 1.00 0.00 C ATOM 105 O THR A 7 4.217 1.810 8.763 1.00 0.00 O ATOM 106 CB THR A 7 6.050 -0.282 7.800 1.00 0.00 C ATOM 107 OG1 THR A 7 6.232 0.589 6.693 1.00 0.00 O ATOM 108 CG2 THR A 7 6.694 -1.643 7.504 1.00 0.00 C ATOM 0 H THR A 7 4.337 -1.819 6.638 1.00 0.00 H new ATOM 0 HA THR A 7 4.543 -0.735 9.189 1.00 0.00 H new ATOM 0 HB THR A 7 6.544 0.149 8.671 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.612 0.340 5.976 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.746 -1.502 7.257 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.610 -2.284 8.382 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.183 -2.112 6.663 1.00 0.00 H new ATOM 116 N HIS A 8 3.059 1.085 6.964 1.00 0.00 N ATOM 117 CA HIS A 8 2.269 2.281 6.831 1.00 0.00 C ATOM 118 C HIS A 8 1.218 2.287 7.895 1.00 0.00 C ATOM 119 O HIS A 8 1.018 3.296 8.578 1.00 0.00 O ATOM 120 CB HIS A 8 1.565 2.398 5.470 1.00 0.00 C ATOM 121 CG HIS A 8 2.532 2.475 4.327 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.118 2.478 3.023 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.884 2.568 4.318 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.188 2.570 2.245 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.273 2.628 3.006 1.00 0.00 N ATOM 0 H HIS A 8 2.891 0.391 6.236 1.00 0.00 H new ATOM 0 HA HIS A 8 2.955 3.123 6.923 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.909 1.539 5.329 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.933 3.286 5.467 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.532 2.591 5.182 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.178 2.594 1.165 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.233 2.704 2.671 1.00 0.00 H new ATOM 134 N PHE A 9 0.561 1.116 8.056 1.00 0.00 N ATOM 135 CA PHE A 9 -0.400 0.814 9.088 1.00 0.00 C ATOM 136 C PHE A 9 0.187 1.018 10.456 1.00 0.00 C ATOM 137 O PHE A 9 -0.495 1.526 11.335 1.00 0.00 O ATOM 138 CB PHE A 9 -0.935 -0.637 8.946 1.00 0.00 C ATOM 139 CG PHE A 9 -1.449 -1.254 10.214 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.584 -0.758 10.838 1.00 0.00 C ATOM 141 CD2 PHE A 9 -0.848 -2.399 10.724 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.057 -1.339 11.997 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.406 -3.047 11.806 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.479 -2.497 12.469 1.00 0.00 C ATOM 0 H PHE A 9 0.710 0.329 7.425 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.235 1.504 8.967 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.737 -0.641 8.207 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.136 -1.265 8.553 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.102 0.090 10.414 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.056 -2.781 10.273 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.878 -0.887 12.533 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.998 -3.992 12.135 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.867 -2.972 13.358 1.00 0.00 H new ATOM 154 N LEU A 10 1.452 0.625 10.674 1.00 0.00 N ATOM 155 CA LEU A 10 2.059 0.645 11.969 1.00 0.00 C ATOM 156 C LEU A 10 2.884 1.896 12.182 1.00 0.00 C ATOM 157 O LEU A 10 3.386 2.120 13.278 1.00 0.00 O ATOM 158 CB LEU A 10 2.588 -0.754 12.337 1.00 0.00 C ATOM 159 CG LEU A 10 3.922 -1.321 11.861 1.00 0.00 C ATOM 160 CD1 LEU A 10 5.157 -0.481 12.146 1.00 0.00 C ATOM 161 CD2 LEU A 10 4.121 -2.619 12.635 1.00 0.00 C ATOM 0 H LEU A 10 2.068 0.286 9.935 1.00 0.00 H new ATOM 0 HA LEU A 10 1.344 0.792 12.779 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.614 -0.791 13.426 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.825 -1.461 12.012 1.00 0.00 H new ATOM 0 HG LEU A 10 3.848 -1.399 10.776 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.040 -0.990 11.760 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.057 0.490 11.661 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.261 -0.340 13.222 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.064 -3.078 12.339 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.141 -2.406 13.704 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.300 -3.302 12.416 1.00 0.00 H new ATOM 173 N THR A 11 3.003 2.789 11.171 1.00 0.00 N ATOM 174 CA THR A 11 3.480 4.130 11.419 1.00 0.00 C ATOM 175 C THR A 11 2.349 4.888 12.036 1.00 0.00 C ATOM 176 O THR A 11 2.546 5.638 12.992 1.00 0.00 O ATOM 177 CB THR A 11 4.000 4.860 10.195 1.00 0.00 C ATOM 178 OG1 THR A 11 5.205 4.245 9.770 1.00 0.00 O ATOM 179 CG2 THR A 11 4.314 6.342 10.487 1.00 0.00 C ATOM 0 H THR A 11 2.774 2.590 10.197 1.00 0.00 H new ATOM 0 HA THR A 11 4.346 4.060 12.077 1.00 0.00 H new ATOM 0 HB THR A 11 3.222 4.810 9.433 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.006 3.364 9.389 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.683 6.821 9.580 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.408 6.847 10.821 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.074 6.406 11.266 1.00 0.00 H new ATOM 187 N GLN A 12 1.137 4.691 11.478 1.00 0.00 N ATOM 188 CA GLN A 12 -0.059 5.322 11.973 1.00 0.00 C ATOM 189 C GLN A 12 -0.452 4.795 13.307 1.00 0.00 C ATOM 190 O GLN A 12 -0.797 5.576 14.188 1.00 0.00 O ATOM 191 CB GLN A 12 -1.284 5.086 11.065 1.00 0.00 C ATOM 192 CG GLN A 12 -1.157 5.659 9.649 1.00 0.00 C ATOM 193 CD GLN A 12 -1.174 7.182 9.714 1.00 0.00 C ATOM 194 OE1 GLN A 12 -0.153 7.837 9.477 1.00 0.00 O ATOM 195 NE2 GLN A 12 -2.383 7.741 10.029 1.00 0.00 N ATOM 0 H GLN A 12 0.982 4.086 10.672 1.00 0.00 H new ATOM 0 HA GLN A 12 0.196 6.381 12.012 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.463 4.013 10.993 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.161 5.524 11.541 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.232 5.314 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.977 5.302 9.026 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.189 7.143 10.214 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.478 8.755 10.079 1.00 0.00 H new ATOM 204 N HIS A 13 -0.447 3.462 13.469 1.00 0.00 N ATOM 205 CA HIS A 13 -1.060 2.863 14.608 1.00 0.00 C ATOM 206 C HIS A 13 -0.042 2.448 15.610 1.00 0.00 C ATOM 207 O HIS A 13 -0.282 2.631 16.793 1.00 0.00 O ATOM 208 CB HIS A 13 -1.955 1.665 14.246 1.00 0.00 C ATOM 209 CG HIS A 13 -3.139 2.111 13.432 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.298 2.520 14.028 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.272 2.355 12.106 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.108 2.996 13.096 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.510 2.904 11.917 1.00 0.00 N ATOM 0 H HIS A 13 -0.022 2.804 12.816 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.701 3.630 15.042 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.378 0.930 13.685 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.298 1.173 15.156 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.505 2.467 15.025 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.537 2.153 11.341 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.097 3.395 13.268 1.00 0.00 H new ATOM 222 N TYR A 14 1.107 1.869 15.218 1.00 0.00 N ATOM 223 CA TYR A 14 1.966 1.303 16.222 1.00 0.00 C ATOM 224 C TYR A 14 2.796 2.361 16.881 1.00 0.00 C ATOM 225 O TYR A 14 3.620 3.014 16.242 1.00 0.00 O ATOM 226 CB TYR A 14 2.847 0.195 15.671 1.00 0.00 C ATOM 227 CG TYR A 14 3.606 -0.511 16.693 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.986 -1.173 17.724 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.957 -0.606 16.503 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.749 -1.857 18.646 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.730 -1.278 17.420 1.00 0.00 C ATOM 232 CZ TYR A 14 5.128 -1.883 18.504 1.00 0.00 C ATOM 233 OH TYR A 14 5.943 -2.558 19.434 1.00 0.00 O ATOM 0 H TYR A 14 1.435 1.791 14.255 1.00 0.00 H new ATOM 0 HA TYR A 14 1.317 0.854 16.974 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.223 -0.520 15.135 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.540 0.621 14.945 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.910 -1.158 17.812 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.415 -0.155 15.635 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.277 -2.368 19.472 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.801 -1.332 17.293 1.00 0.00 H new ATOM 0 HH TYR A 14 5.429 -2.738 20.249 1.00 0.00 H new ATOM 243 N ASP A 15 2.577 2.528 18.203 1.00 0.00 N ATOM 244 CA ASP A 15 3.390 3.381 19.010 1.00 0.00 C ATOM 245 C ASP A 15 3.608 2.520 20.200 1.00 0.00 C ATOM 246 O ASP A 15 2.748 2.449 21.073 1.00 0.00 O ATOM 247 CB ASP A 15 2.737 4.710 19.443 1.00 0.00 C ATOM 248 CG ASP A 15 3.738 5.425 20.345 1.00 0.00 C ATOM 249 OD1 ASP A 15 4.838 5.780 19.844 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.418 5.627 21.546 1.00 0.00 O ATOM 0 H ASP A 15 1.826 2.064 18.714 1.00 0.00 H new ATOM 0 HA ASP A 15 4.276 3.712 18.468 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.495 5.322 18.574 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.803 4.526 19.973 1.00 0.00 H new ATOM 255 N ALA A 16 4.764 1.822 20.199 1.00 0.00 N ATOM 256 CA ALA A 16 5.133 0.713 21.049 1.00 0.00 C ATOM 257 C ALA A 16 4.802 0.815 22.499 1.00 0.00 C ATOM 258 O ALA A 16 4.243 -0.124 23.061 1.00 0.00 O ATOM 259 CB ALA A 16 6.615 0.349 20.942 1.00 0.00 C ATOM 0 H ALA A 16 5.511 2.053 19.544 1.00 0.00 H new ATOM 0 HA ALA A 16 4.492 -0.067 20.639 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.832 -0.490 21.603 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.848 0.071 19.914 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.222 1.206 21.233 1.00 0.00 H new ATOM 265 N LYS A 17 5.130 1.948 23.136 1.00 0.00 N ATOM 266 CA LYS A 17 4.605 2.259 24.439 1.00 0.00 C ATOM 267 C LYS A 17 4.580 3.766 24.504 1.00 0.00 C ATOM 268 O LYS A 17 5.546 4.392 24.068 1.00 0.00 O ATOM 269 CB LYS A 17 5.485 1.837 25.639 1.00 0.00 C ATOM 270 CG LYS A 17 5.446 0.340 25.973 1.00 0.00 C ATOM 271 CD LYS A 17 6.185 0.002 27.273 1.00 0.00 C ATOM 272 CE LYS A 17 6.122 -1.489 27.615 1.00 0.00 C ATOM 273 NZ LYS A 17 6.831 -1.752 28.886 1.00 0.00 N ATOM 0 H LYS A 17 5.759 2.655 22.755 1.00 0.00 H new ATOM 0 HA LYS A 17 3.656 1.731 24.529 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.517 2.122 25.432 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.169 2.399 26.518 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.408 0.018 26.056 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.889 -0.223 25.151 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.228 0.307 27.184 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.754 0.577 28.092 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.083 -1.807 27.697 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.571 -2.073 26.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.781 -2.767 29.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.827 -1.466 28.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.384 -1.208 29.652 1.00 0.00 H new ATOM 287 N PRO A 18 3.539 4.373 25.053 1.00 0.00 N ATOM 288 CA PRO A 18 3.420 5.804 25.125 1.00 0.00 C ATOM 289 C PRO A 18 4.301 6.433 26.159 1.00 0.00 C ATOM 290 O PRO A 18 5.002 5.744 26.901 1.00 0.00 O ATOM 291 CB PRO A 18 1.996 6.017 25.614 1.00 0.00 C ATOM 292 CG PRO A 18 1.212 4.886 24.988 1.00 0.00 C ATOM 293 CD PRO A 18 2.238 3.768 24.890 1.00 0.00 C ATOM 0 HA PRO A 18 3.685 6.240 24.162 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.940 5.985 26.702 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.610 6.988 25.304 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.359 4.598 25.603 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.820 5.161 24.009 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.063 3.016 25.659 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.166 3.262 23.927 1.00 0.00 H new ATOM 301 N GLN A 19 4.200 7.777 26.224 1.00 0.00 N ATOM 302 CA GLN A 19 4.764 8.592 27.253 1.00 0.00 C ATOM 303 C GLN A 19 3.928 8.377 28.474 1.00 0.00 C ATOM 304 O GLN A 19 4.352 7.736 29.435 1.00 0.00 O ATOM 305 CB GLN A 19 4.736 10.082 26.853 1.00 0.00 C ATOM 306 CG GLN A 19 5.553 10.402 25.591 1.00 0.00 C ATOM 307 CD GLN A 19 7.019 10.033 25.820 1.00 0.00 C ATOM 308 OE1 GLN A 19 7.677 10.556 26.727 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.531 9.105 24.955 1.00 0.00 N ATOM 0 H GLN A 19 3.698 8.319 25.521 1.00 0.00 H new ATOM 0 HA GLN A 19 5.806 8.323 27.428 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.702 10.386 26.691 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.117 10.678 27.682 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.157 9.848 24.740 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.468 11.462 25.350 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.940 8.707 24.225 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.504 8.811 25.040 1.00 0.00 H new ATOM 318 N GLY A 20 2.692 8.896 28.420 1.00 0.00 N ATOM 319 CA GLY A 20 1.636 8.512 29.309 1.00 0.00 C ATOM 320 C GLY A 20 0.520 8.269 28.373 1.00 0.00 C ATOM 321 O GLY A 20 0.708 8.350 27.166 1.00 0.00 O ATOM 0 H GLY A 20 2.415 9.604 27.740 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.889 7.620 29.882 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.402 9.297 30.028 1.00 0.00 H new ATOM 325 N ARG A 21 -0.673 7.977 28.910 1.00 0.00 N ATOM 326 CA ARG A 21 -1.832 7.769 28.082 1.00 0.00 C ATOM 327 C ARG A 21 -2.786 8.858 28.430 1.00 0.00 C ATOM 328 O ARG A 21 -3.795 8.633 29.098 1.00 0.00 O ATOM 329 CB ARG A 21 -2.475 6.376 28.237 1.00 0.00 C ATOM 330 CG ARG A 21 -1.553 5.281 27.674 1.00 0.00 C ATOM 331 CD ARG A 21 -2.220 3.918 27.459 1.00 0.00 C ATOM 332 NE ARG A 21 -2.455 3.282 28.782 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.291 2.210 28.905 1.00 0.00 C ATOM 334 NH1 ARG A 21 -3.924 1.700 27.811 1.00 0.00 N ATOM 335 NH2 ARG A 21 -3.486 1.637 30.128 1.00 0.00 N ATOM 0 H ARG A 21 -0.843 7.883 29.911 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.540 7.801 27.032 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.679 6.180 29.290 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.433 6.353 27.717 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.147 5.624 26.722 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.710 5.153 28.353 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.163 4.040 26.927 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.586 3.281 26.842 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.985 3.652 29.609 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.774 2.120 26.893 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.547 0.899 27.910 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.007 2.010 30.948 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.110 0.836 30.222 1.00 0.00 H new ATOM 349 N ASP A 22 -2.443 10.084 27.980 1.00 0.00 N ATOM 350 CA ASP A 22 -3.135 11.274 28.380 1.00 0.00 C ATOM 351 C ASP A 22 -3.268 12.169 27.188 1.00 0.00 C ATOM 352 O ASP A 22 -2.832 11.829 26.089 1.00 0.00 O ATOM 353 CB ASP A 22 -2.440 12.028 29.540 1.00 0.00 C ATOM 354 CG ASP A 22 -1.080 12.594 29.133 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.162 11.803 28.789 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.938 13.844 29.191 1.00 0.00 O ATOM 0 H ASP A 22 -1.675 10.250 27.330 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.113 10.978 28.759 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.083 12.841 29.878 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.311 11.351 30.384 1.00 0.00 H new ATOM 361 N ASP A 23 -3.901 13.342 27.421 1.00 0.00 N ATOM 362 CA ASP A 23 -4.285 14.338 26.453 1.00 0.00 C ATOM 363 C ASP A 23 -3.098 14.889 25.718 1.00 0.00 C ATOM 364 O ASP A 23 -3.159 15.130 24.513 1.00 0.00 O ATOM 365 CB ASP A 23 -5.044 15.478 27.181 1.00 0.00 C ATOM 366 CG ASP A 23 -5.722 16.483 26.253 1.00 0.00 C ATOM 367 OD1 ASP A 23 -5.027 17.375 25.696 1.00 0.00 O ATOM 368 OD2 ASP A 23 -6.973 16.389 26.123 1.00 0.00 O ATOM 0 H ASP A 23 -4.166 13.616 28.367 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.932 13.870 25.711 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.799 15.037 27.831 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.343 16.011 27.823 1.00 0.00 H new ATOM 373 N ARG A 24 -1.987 15.095 26.452 1.00 0.00 N ATOM 374 CA ARG A 24 -0.790 15.695 25.930 1.00 0.00 C ATOM 375 C ARG A 24 0.059 14.672 25.237 1.00 0.00 C ATOM 376 O ARG A 24 0.952 15.050 24.481 1.00 0.00 O ATOM 377 CB ARG A 24 0.115 16.367 26.987 1.00 0.00 C ATOM 378 CG ARG A 24 -0.446 17.658 27.609 1.00 0.00 C ATOM 379 CD ARG A 24 -1.545 17.452 28.654 1.00 0.00 C ATOM 380 NE ARG A 24 -1.961 18.793 29.152 1.00 0.00 N ATOM 381 CZ ARG A 24 -3.069 18.926 29.939 1.00 0.00 C ATOM 382 NH1 ARG A 24 -3.787 17.826 30.311 1.00 0.00 N ATOM 383 NH2 ARG A 24 -3.459 20.167 30.356 1.00 0.00 N ATOM 0 H ARG A 24 -1.917 14.838 27.437 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.159 16.465 25.253 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.305 15.651 27.787 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.077 16.593 26.527 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.375 18.206 28.071 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.839 18.286 26.810 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.394 16.927 28.216 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.179 16.836 29.476 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.414 19.618 28.903 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.497 16.899 30.001 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.614 17.932 30.899 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.923 20.990 30.079 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.286 20.271 30.944 1.00 0.00 H new ATOM 397 N TYR A 25 -0.196 13.360 25.467 1.00 0.00 N ATOM 398 CA TYR A 25 0.506 12.324 24.757 1.00 0.00 C ATOM 399 C TYR A 25 -0.101 12.236 23.401 1.00 0.00 C ATOM 400 O TYR A 25 0.629 12.063 22.429 1.00 0.00 O ATOM 401 CB TYR A 25 0.446 10.940 25.439 1.00 0.00 C ATOM 402 CG TYR A 25 0.543 9.806 24.456 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.726 9.476 23.808 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.592 9.052 24.199 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.749 8.459 22.873 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.567 8.038 23.266 1.00 0.00 C ATOM 407 CZ TYR A 25 0.601 7.747 22.600 1.00 0.00 C ATOM 408 OH TYR A 25 0.613 6.709 21.650 1.00 0.00 O ATOM 0 H TYR A 25 -0.883 13.021 26.140 1.00 0.00 H new ATOM 0 HA TYR A 25 1.563 12.590 24.730 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.258 10.860 26.162 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.487 10.854 25.996 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.633 10.017 24.036 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.505 9.262 24.736 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.667 8.222 22.356 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.463 7.473 23.058 1.00 0.00 H new ATOM 0 HH TYR A 25 1.511 6.319 21.603 1.00 0.00 H new ATOM 418 N CYS A 26 -1.446 12.344 23.314 1.00 0.00 N ATOM 419 CA CYS A 26 -2.139 12.245 22.061 1.00 0.00 C ATOM 420 C CYS A 26 -1.873 13.421 21.181 1.00 0.00 C ATOM 421 O CYS A 26 -1.809 13.275 19.961 1.00 0.00 O ATOM 422 CB CYS A 26 -3.657 12.175 22.196 1.00 0.00 C ATOM 423 SG CYS A 26 -4.258 10.546 22.679 1.00 0.00 S ATOM 0 H CYS A 26 -2.055 12.501 24.117 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.757 11.317 21.635 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.983 12.908 22.934 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.112 12.455 21.246 1.00 0.00 H new ATOM 428 N GLU A 27 -1.717 14.610 21.795 1.00 0.00 N ATOM 429 CA GLU A 27 -1.405 15.808 21.069 1.00 0.00 C ATOM 430 C GLU A 27 0.006 15.752 20.568 1.00 0.00 C ATOM 431 O GLU A 27 0.274 16.199 19.455 1.00 0.00 O ATOM 432 CB GLU A 27 -1.598 17.097 21.893 1.00 0.00 C ATOM 433 CG GLU A 27 -2.442 18.166 21.177 1.00 0.00 C ATOM 434 CD GLU A 27 -1.709 18.682 19.943 1.00 0.00 C ATOM 435 OE1 GLU A 27 -0.632 19.314 20.115 1.00 0.00 O ATOM 436 OE2 GLU A 27 -2.214 18.448 18.813 1.00 0.00 O ATOM 0 H GLU A 27 -1.808 14.743 22.802 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.110 15.851 20.239 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.074 16.845 22.840 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.620 17.517 22.130 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.404 17.745 20.887 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.648 18.992 21.858 1.00 0.00 H new ATOM 443 N SER A 28 0.932 15.187 21.377 1.00 0.00 N ATOM 444 CA SER A 28 2.321 15.088 21.023 1.00 0.00 C ATOM 445 C SER A 28 2.563 14.094 19.930 1.00 0.00 C ATOM 446 O SER A 28 3.495 14.277 19.152 1.00 0.00 O ATOM 447 CB SER A 28 3.224 14.704 22.208 1.00 0.00 C ATOM 448 OG SER A 28 4.591 14.700 21.823 1.00 0.00 O ATOM 0 H SER A 28 0.711 14.793 22.291 1.00 0.00 H new ATOM 0 HA SER A 28 2.580 16.091 20.683 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.075 15.408 23.027 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.944 13.718 22.579 1.00 0.00 H new ATOM 0 HG SER A 28 5.147 14.455 22.592 1.00 0.00 H new ATOM 454 N ILE A 29 1.741 13.024 19.850 1.00 0.00 N ATOM 455 CA ILE A 29 1.948 11.988 18.875 1.00 0.00 C ATOM 456 C ILE A 29 1.295 12.319 17.567 1.00 0.00 C ATOM 457 O ILE A 29 1.786 11.897 16.521 1.00 0.00 O ATOM 458 CB ILE A 29 1.678 10.569 19.352 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.264 9.551 18.361 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.190 10.294 19.628 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.470 8.181 18.976 1.00 0.00 C ATOM 0 H ILE A 29 0.936 12.877 20.458 1.00 0.00 H new ATOM 0 HA ILE A 29 3.025 11.976 18.706 1.00 0.00 H new ATOM 0 HB ILE A 29 2.182 10.456 20.312 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.598 9.462 17.503 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.218 9.923 17.987 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.067 9.265 19.965 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.168 10.974 20.401 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.384 10.448 18.714 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.886 7.505 18.228 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.159 8.260 19.817 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.514 7.791 19.325 1.00 0.00 H new ATOM 473 N MET A 30 0.204 13.117 17.572 1.00 0.00 N ATOM 474 CA MET A 30 -0.322 13.585 16.315 1.00 0.00 C ATOM 475 C MET A 30 0.479 14.744 15.809 1.00 0.00 C ATOM 476 O MET A 30 0.427 15.035 14.621 1.00 0.00 O ATOM 477 CB MET A 30 -1.800 14.005 16.283 1.00 0.00 C ATOM 478 CG MET A 30 -2.753 12.844 15.972 1.00 0.00 C ATOM 479 SD MET A 30 -3.481 12.026 17.413 1.00 0.00 S ATOM 480 CE MET A 30 -4.673 11.130 16.374 1.00 0.00 C ATOM 0 H MET A 30 -0.296 13.428 18.405 1.00 0.00 H new ATOM 0 HA MET A 30 -0.247 12.699 15.685 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.068 14.438 17.246 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.933 14.786 15.534 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.560 13.218 15.342 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.212 12.099 15.388 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.685 11.327 16.729 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.579 11.465 15.341 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.471 10.060 16.428 1.00 0.00 H new ATOM 490 N ARG A 31 1.245 15.433 16.679 1.00 0.00 N ATOM 491 CA ARG A 31 2.142 16.466 16.242 1.00 0.00 C ATOM 492 C ARG A 31 3.361 15.839 15.614 1.00 0.00 C ATOM 493 O ARG A 31 3.845 16.331 14.595 1.00 0.00 O ATOM 494 CB ARG A 31 2.509 17.401 17.421 1.00 0.00 C ATOM 495 CG ARG A 31 3.271 18.704 17.103 1.00 0.00 C ATOM 496 CD ARG A 31 4.801 18.596 17.006 1.00 0.00 C ATOM 497 NE ARG A 31 5.298 17.930 18.253 1.00 0.00 N ATOM 498 CZ ARG A 31 6.417 17.144 18.266 1.00 0.00 C ATOM 499 NH1 ARG A 31 7.206 17.033 17.159 1.00 0.00 N ATOM 500 NH2 ARG A 31 6.742 16.456 19.399 1.00 0.00 N ATOM 0 H ARG A 31 1.244 15.275 17.687 1.00 0.00 H new ATOM 0 HA ARG A 31 1.653 17.083 15.488 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.585 17.671 17.933 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.109 16.827 18.128 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.896 19.097 16.158 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.029 19.438 17.872 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.087 18.020 16.126 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.247 19.585 16.898 1.00 0.00 H new ATOM 0 HE ARG A 31 4.783 18.068 19.123 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.964 17.540 16.308 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.038 16.443 17.183 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.152 16.530 20.228 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.575 15.868 19.417 1.00 0.00 H new ATOM 514 N ARG A 32 3.891 14.758 16.230 1.00 0.00 N ATOM 515 CA ARG A 32 5.166 14.183 15.886 1.00 0.00 C ATOM 516 C ARG A 32 5.088 13.397 14.619 1.00 0.00 C ATOM 517 O ARG A 32 5.930 13.563 13.738 1.00 0.00 O ATOM 518 CB ARG A 32 5.698 13.266 17.004 1.00 0.00 C ATOM 519 CG ARG A 32 7.141 12.775 16.810 1.00 0.00 C ATOM 520 CD ARG A 32 7.669 12.017 18.033 1.00 0.00 C ATOM 521 NE ARG A 32 7.693 12.971 19.180 1.00 0.00 N ATOM 522 CZ ARG A 32 7.870 12.537 20.461 1.00 0.00 C ATOM 523 NH1 ARG A 32 8.085 11.214 20.718 1.00 0.00 N ATOM 524 NH2 ARG A 32 7.832 13.434 21.490 1.00 0.00 N ATOM 0 H ARG A 32 3.419 14.269 16.990 1.00 0.00 H new ATOM 0 HA ARG A 32 5.852 15.020 15.752 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.637 13.801 17.952 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.043 12.399 17.084 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.187 12.126 15.936 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.788 13.628 16.607 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.031 11.163 18.259 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.668 11.626 17.839 1.00 0.00 H new ATOM 0 HE ARG A 32 7.575 13.968 19.003 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.114 10.543 19.950 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.217 10.896 21.678 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.672 14.423 21.299 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.964 13.115 22.450 1.00 0.00 H new ATOM 538 N ARG A 33 4.070 12.512 14.512 1.00 0.00 N ATOM 539 CA ARG A 33 3.884 11.681 13.350 1.00 0.00 C ATOM 540 C ARG A 33 3.247 12.512 12.276 1.00 0.00 C ATOM 541 O ARG A 33 3.465 12.270 11.090 1.00 0.00 O ATOM 542 CB ARG A 33 3.018 10.427 13.614 1.00 0.00 C ATOM 543 CG ARG A 33 3.790 9.224 14.189 1.00 0.00 C ATOM 544 CD ARG A 33 4.602 9.546 15.448 1.00 0.00 C ATOM 545 NE ARG A 33 4.896 8.273 16.173 1.00 0.00 N ATOM 546 CZ ARG A 33 6.166 7.873 16.484 1.00 0.00 C ATOM 547 NH1 ARG A 33 7.253 8.602 16.099 1.00 0.00 N ATOM 548 NH2 ARG A 33 6.348 6.725 17.200 1.00 0.00 N ATOM 0 H ARG A 33 3.368 12.371 15.239 1.00 0.00 H new ATOM 0 HA ARG A 33 4.866 11.314 13.050 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.218 10.693 14.305 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.545 10.125 12.680 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.082 8.428 14.420 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.464 8.839 13.424 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.530 10.050 15.179 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.045 10.227 16.092 1.00 0.00 H new ATOM 0 HE ARG A 33 4.116 7.677 16.448 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.127 9.464 15.568 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.192 8.285 16.342 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.541 6.176 17.497 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.291 6.416 17.438 1.00 0.00 H new ATOM 562 N GLY A 34 2.476 13.537 12.692 1.00 0.00 N ATOM 563 CA GLY A 34 1.972 14.557 11.821 1.00 0.00 C ATOM 564 C GLY A 34 0.745 14.072 11.160 1.00 0.00 C ATOM 565 O GLY A 34 0.686 13.929 9.939 1.00 0.00 O ATOM 0 H GLY A 34 2.195 13.659 13.665 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.759 15.463 12.388 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.722 14.817 11.074 1.00 0.00 H new ATOM 569 N LEU A 35 -0.286 13.862 11.996 1.00 0.00 N ATOM 570 CA LEU A 35 -1.627 13.698 11.541 1.00 0.00 C ATOM 571 C LEU A 35 -2.324 14.924 12.032 1.00 0.00 C ATOM 572 O LEU A 35 -3.542 14.927 12.202 1.00 0.00 O ATOM 573 CB LEU A 35 -2.379 12.519 12.175 1.00 0.00 C ATOM 574 CG LEU A 35 -1.594 11.193 12.326 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.484 10.103 12.954 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.996 10.685 11.004 1.00 0.00 C ATOM 0 H LEU A 35 -0.184 13.805 13.009 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.611 13.527 10.465 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.721 12.826 13.163 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.268 12.322 11.577 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.756 11.411 12.988 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.914 9.179 13.052 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.818 10.429 13.939 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.351 9.929 12.316 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.460 9.753 11.182 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.797 10.511 10.285 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.307 11.430 10.606 1.00 0.00 H new ATOM 588 N THR A 36 -1.540 15.998 12.295 1.00 0.00 N ATOM 589 CA THR A 36 -2.053 17.213 12.874 1.00 0.00 C ATOM 590 C THR A 36 -2.500 18.122 11.772 1.00 0.00 C ATOM 591 O THR A 36 -3.203 19.104 12.006 1.00 0.00 O ATOM 592 CB THR A 36 -1.072 17.901 13.813 1.00 0.00 C ATOM 593 OG1 THR A 36 -1.605 19.105 14.347 1.00 0.00 O ATOM 594 CG2 THR A 36 0.287 18.197 13.144 1.00 0.00 C ATOM 0 H THR A 36 -0.538 16.022 12.103 1.00 0.00 H new ATOM 0 HA THR A 36 -2.903 16.952 13.505 1.00 0.00 H new ATOM 0 HB THR A 36 -0.905 17.194 14.625 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.562 18.988 14.525 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.946 18.688 13.860 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.741 17.263 12.814 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.135 18.850 12.285 1.00 0.00 H new ATOM 602 N SER A 37 -2.122 17.784 10.526 1.00 0.00 N ATOM 603 CA SER A 37 -2.468 18.588 9.386 1.00 0.00 C ATOM 604 C SER A 37 -3.064 17.682 8.353 1.00 0.00 C ATOM 605 O SER A 37 -2.306 16.952 7.715 1.00 0.00 O ATOM 606 CB SER A 37 -1.249 19.290 8.766 1.00 0.00 C ATOM 607 OG SER A 37 -1.654 20.068 7.650 1.00 0.00 O ATOM 0 H SER A 37 -1.575 16.952 10.304 1.00 0.00 H new ATOM 0 HA SER A 37 -3.163 19.361 9.714 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.769 19.927 9.509 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.511 18.550 8.456 1.00 0.00 H new ATOM 0 HG SER A 37 -0.873 20.514 7.261 1.00 0.00 H new ATOM 613 N PRO A 38 -4.366 17.667 8.096 1.00 0.00 N ATOM 614 CA PRO A 38 -5.443 18.142 8.933 1.00 0.00 C ATOM 615 C PRO A 38 -5.605 17.155 10.058 1.00 0.00 C ATOM 616 O PRO A 38 -5.144 16.019 9.922 1.00 0.00 O ATOM 617 CB PRO A 38 -6.664 18.105 8.011 1.00 0.00 C ATOM 618 CG PRO A 38 -6.360 16.995 7.002 1.00 0.00 C ATOM 619 CD PRO A 38 -4.839 17.055 6.869 1.00 0.00 C ATOM 0 HA PRO A 38 -5.286 19.133 9.360 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.575 17.892 8.570 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.812 19.063 7.512 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.695 16.022 7.360 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.855 17.171 6.047 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.417 16.058 6.740 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.544 17.642 5.999 1.00 0.00 H new ATOM 627 N CYS A 39 -6.253 17.584 11.173 1.00 0.00 N ATOM 628 CA CYS A 39 -6.459 16.790 12.345 1.00 0.00 C ATOM 629 C CYS A 39 -7.274 15.576 12.013 1.00 0.00 C ATOM 630 O CYS A 39 -8.395 15.681 11.515 1.00 0.00 O ATOM 631 CB CYS A 39 -7.240 17.560 13.423 1.00 0.00 C ATOM 632 SG CYS A 39 -6.507 19.171 13.840 1.00 0.00 S ATOM 0 H CYS A 39 -6.645 18.522 11.252 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.470 16.522 12.715 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.263 17.714 13.079 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.295 16.951 14.325 1.00 0.00 H new ATOM 637 N LYS A 40 -6.685 14.393 12.293 1.00 0.00 N ATOM 638 CA LYS A 40 -7.301 13.113 12.095 1.00 0.00 C ATOM 639 C LYS A 40 -8.322 12.968 13.172 1.00 0.00 C ATOM 640 O LYS A 40 -8.041 13.262 14.330 1.00 0.00 O ATOM 641 CB LYS A 40 -6.268 11.970 12.207 1.00 0.00 C ATOM 642 CG LYS A 40 -6.803 10.541 12.004 1.00 0.00 C ATOM 643 CD LYS A 40 -7.387 10.271 10.610 1.00 0.00 C ATOM 644 CE LYS A 40 -7.992 8.869 10.474 1.00 0.00 C ATOM 645 NZ LYS A 40 -6.974 7.826 10.731 1.00 0.00 N ATOM 0 H LYS A 40 -5.741 14.327 12.673 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.742 13.054 11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.481 12.148 11.474 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.804 12.024 13.192 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.994 9.834 12.188 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.573 10.346 12.750 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.154 11.014 10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.603 10.396 9.863 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.819 8.756 11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.404 8.742 9.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.143 7.014 10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.026 8.214 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.037 7.516 11.722 1.00 0.00 H new ATOM 659 N ASP A 41 -9.539 12.528 12.783 1.00 0.00 N ATOM 660 CA ASP A 41 -10.691 12.541 13.638 1.00 0.00 C ATOM 661 C ASP A 41 -10.623 11.498 14.701 1.00 0.00 C ATOM 662 O ASP A 41 -10.984 11.773 15.842 1.00 0.00 O ATOM 663 CB ASP A 41 -12.003 12.330 12.870 1.00 0.00 C ATOM 664 CG ASP A 41 -12.101 13.424 11.817 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.140 14.622 12.206 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.136 13.074 10.607 1.00 0.00 O ATOM 0 H ASP A 41 -9.725 12.155 11.852 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.684 13.534 14.088 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.019 11.346 12.402 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.855 12.374 13.548 1.00 0.00 H new ATOM 671 N ILE A 42 -10.181 10.271 14.364 1.00 0.00 N ATOM 672 CA ILE A 42 -10.059 9.265 15.376 1.00 0.00 C ATOM 673 C ILE A 42 -9.016 8.309 14.892 1.00 0.00 C ATOM 674 O ILE A 42 -9.081 7.811 13.769 1.00 0.00 O ATOM 675 CB ILE A 42 -11.387 8.602 15.743 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.259 7.751 17.023 1.00 0.00 C ATOM 677 CG2 ILE A 42 -12.010 7.833 14.557 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.621 7.452 17.652 1.00 0.00 C ATOM 0 H ILE A 42 -9.916 9.981 13.423 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.752 9.709 16.323 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.095 9.398 15.973 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.756 6.814 16.786 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.633 8.275 17.746 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.951 7.381 14.870 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.195 8.522 13.733 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.324 7.052 14.229 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.483 6.851 18.550 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.114 8.388 17.914 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.238 6.904 16.940 1.00 0.00 H new ATOM 690 N ASN A 43 -7.995 8.057 15.737 1.00 0.00 N ATOM 691 CA ASN A 43 -6.947 7.154 15.347 1.00 0.00 C ATOM 692 C ASN A 43 -6.354 6.603 16.593 1.00 0.00 C ATOM 693 O ASN A 43 -5.990 7.336 17.513 1.00 0.00 O ATOM 694 CB ASN A 43 -5.838 7.807 14.498 1.00 0.00 C ATOM 695 CG ASN A 43 -4.777 6.783 14.093 1.00 0.00 C ATOM 696 OD1 ASN A 43 -5.053 5.867 13.311 1.00 0.00 O ATOM 697 ND2 ASN A 43 -3.532 6.971 14.624 1.00 0.00 N ATOM 0 H ASN A 43 -7.894 8.465 16.666 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.387 6.383 14.714 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.275 8.254 13.605 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.371 8.614 15.063 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.772 6.337 14.379 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.363 7.746 15.265 1.00 0.00 H new ATOM 704 N THR A 44 -6.256 5.262 16.623 1.00 0.00 N ATOM 705 CA THR A 44 -5.789 4.542 17.760 1.00 0.00 C ATOM 706 C THR A 44 -4.339 4.274 17.616 1.00 0.00 C ATOM 707 O THR A 44 -3.906 3.672 16.639 1.00 0.00 O ATOM 708 CB THR A 44 -6.523 3.244 17.890 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.887 3.563 18.075 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.036 2.422 19.092 1.00 0.00 C ATOM 0 H THR A 44 -6.509 4.666 15.835 1.00 0.00 H new ATOM 0 HA THR A 44 -5.966 5.141 18.653 1.00 0.00 H new ATOM 0 HB THR A 44 -6.353 2.642 16.997 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.424 2.744 18.029 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.597 1.489 19.146 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.975 2.201 18.976 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.190 2.992 20.009 1.00 0.00 H new ATOM 718 N PHE A 45 -3.564 4.693 18.630 1.00 0.00 N ATOM 719 CA PHE A 45 -2.208 4.259 18.735 1.00 0.00 C ATOM 720 C PHE A 45 -2.231 3.055 19.621 1.00 0.00 C ATOM 721 O PHE A 45 -2.682 3.121 20.762 1.00 0.00 O ATOM 722 CB PHE A 45 -1.231 5.304 19.284 1.00 0.00 C ATOM 723 CG PHE A 45 -1.171 6.444 18.317 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.075 7.478 18.454 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.251 6.500 17.281 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.086 8.527 17.562 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.232 7.573 16.418 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.156 8.587 16.544 1.00 0.00 C ATOM 0 H PHE A 45 -3.871 5.325 19.369 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.834 4.053 17.732 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.559 5.653 20.263 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.242 4.866 19.417 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.782 7.464 19.270 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.457 5.695 17.150 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.826 9.307 17.660 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.512 7.620 15.637 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.153 9.418 15.855 1.00 0.00 H new ATOM 738 N ILE A 46 -1.759 1.917 19.081 1.00 0.00 N ATOM 739 CA ILE A 46 -1.750 0.642 19.728 1.00 0.00 C ATOM 740 C ILE A 46 -0.377 0.502 20.270 1.00 0.00 C ATOM 741 O ILE A 46 0.587 1.009 19.707 1.00 0.00 O ATOM 742 CB ILE A 46 -1.940 -0.497 18.757 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.231 -0.306 17.938 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.886 -1.862 19.476 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.297 -1.305 16.789 1.00 0.00 C ATOM 0 H ILE A 46 -1.362 1.886 18.142 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.551 0.599 20.466 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.111 -0.490 18.049 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.099 -0.432 18.585 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.271 0.710 17.545 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.026 -2.662 18.749 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.917 -1.979 19.962 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.676 -1.910 20.225 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.217 -1.151 16.225 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.440 -1.160 16.131 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.281 -2.319 17.188 1.00 0.00 H new ATOM 757 N HIS A 47 -0.293 -0.208 21.399 1.00 0.00 N ATOM 758 CA HIS A 47 0.908 -0.373 22.171 1.00 0.00 C ATOM 759 C HIS A 47 1.023 -1.807 22.559 1.00 0.00 C ATOM 760 O HIS A 47 0.070 -2.412 23.054 1.00 0.00 O ATOM 761 CB HIS A 47 0.950 0.416 23.483 1.00 0.00 C ATOM 762 CG HIS A 47 0.081 1.626 23.458 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.262 2.647 22.560 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.980 1.987 24.225 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.680 3.571 22.817 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.461 3.216 23.817 1.00 0.00 N ATOM 0 H HIS A 47 -1.095 -0.694 21.801 1.00 0.00 H new ATOM 0 HA HIS A 47 1.712 -0.007 21.533 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.638 -0.233 24.302 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.977 0.717 23.688 1.00 0.00 H new ATOM 0 HD1 HIS A 47 0.977 2.696 21.834 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.388 1.400 25.035 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.784 4.495 22.268 1.00 0.00 H new ATOM 774 N GLY A 48 2.231 -2.365 22.372 1.00 0.00 N ATOM 775 CA GLY A 48 2.492 -3.715 22.765 1.00 0.00 C ATOM 776 C GLY A 48 3.784 -4.048 22.112 1.00 0.00 C ATOM 777 O GLY A 48 4.678 -3.207 22.044 1.00 0.00 O ATOM 0 H GLY A 48 3.025 -1.884 21.950 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.560 -3.807 23.849 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.697 -4.385 22.437 1.00 0.00 H new ATOM 781 N ASN A 49 3.889 -5.290 21.604 1.00 0.00 N ATOM 782 CA ASN A 49 4.966 -5.671 20.737 1.00 0.00 C ATOM 783 C ASN A 49 4.348 -5.727 19.387 1.00 0.00 C ATOM 784 O ASN A 49 3.182 -6.096 19.256 1.00 0.00 O ATOM 785 CB ASN A 49 5.526 -7.080 21.000 1.00 0.00 C ATOM 786 CG ASN A 49 6.467 -7.061 22.201 1.00 0.00 C ATOM 787 OD1 ASN A 49 6.082 -6.746 23.333 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.755 -7.429 21.917 1.00 0.00 N ATOM 0 H ASN A 49 3.222 -6.038 21.795 1.00 0.00 H new ATOM 0 HA ASN A 49 5.787 -4.968 20.873 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.707 -7.776 21.182 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.058 -7.438 20.118 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.454 -7.453 22.659 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.015 -7.679 20.963 1.00 0.00 H new ATOM 795 N LYS A 50 5.141 -5.412 18.333 1.00 0.00 N ATOM 796 CA LYS A 50 4.672 -5.579 16.986 1.00 0.00 C ATOM 797 C LYS A 50 4.953 -6.978 16.508 1.00 0.00 C ATOM 798 O LYS A 50 4.605 -7.336 15.386 1.00 0.00 O ATOM 799 CB LYS A 50 5.173 -4.553 15.948 1.00 0.00 C ATOM 800 CG LYS A 50 6.693 -4.356 15.890 1.00 0.00 C ATOM 801 CD LYS A 50 7.114 -3.491 14.693 1.00 0.00 C ATOM 802 CE LYS A 50 8.626 -3.275 14.599 1.00 0.00 C ATOM 803 NZ LYS A 50 9.319 -4.564 14.391 1.00 0.00 N ATOM 0 H LYS A 50 6.090 -5.048 18.414 1.00 0.00 H new ATOM 0 HA LYS A 50 3.601 -5.389 17.053 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.827 -4.862 14.962 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.708 -3.591 16.161 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.034 -3.888 16.814 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.183 -5.328 15.826 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.764 -3.961 13.774 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.620 -2.522 14.763 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.852 -2.596 13.777 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.990 -2.802 15.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.314 -4.387 14.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.274 -5.127 15.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.858 -5.085 13.618 1.00 0.00 H new ATOM 817 N ARG A 51 5.560 -7.811 17.381 1.00 0.00 N ATOM 818 CA ARG A 51 5.670 -9.226 17.200 1.00 0.00 C ATOM 819 C ARG A 51 4.341 -9.832 17.515 1.00 0.00 C ATOM 820 O ARG A 51 3.928 -10.811 16.896 1.00 0.00 O ATOM 821 CB ARG A 51 6.703 -9.864 18.148 1.00 0.00 C ATOM 822 CG ARG A 51 8.115 -9.287 17.975 1.00 0.00 C ATOM 823 CD ARG A 51 9.129 -9.856 18.974 1.00 0.00 C ATOM 824 NE ARG A 51 9.264 -11.320 18.730 1.00 0.00 N ATOM 825 CZ ARG A 51 10.105 -12.076 19.495 1.00 0.00 C ATOM 826 NH1 ARG A 51 10.830 -11.499 20.497 1.00 0.00 N ATOM 827 NH2 ARG A 51 10.223 -13.415 19.256 1.00 0.00 N ATOM 0 H ARG A 51 5.990 -7.483 18.246 1.00 0.00 H new ATOM 0 HA ARG A 51 5.989 -9.408 16.174 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.381 -9.717 19.179 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.732 -10.939 17.973 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.461 -9.490 16.961 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.074 -8.204 18.087 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.094 -9.362 18.857 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.798 -9.671 19.996 1.00 0.00 H new ATOM 0 HE ARG A 51 8.724 -11.761 17.985 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.745 -10.499 20.677 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.457 -12.068 21.066 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.683 -13.849 18.507 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.851 -13.981 19.826 1.00 0.00 H new ATOM 841 N SER A 52 3.647 -9.234 18.505 1.00 0.00 N ATOM 842 CA SER A 52 2.343 -9.628 18.925 1.00 0.00 C ATOM 843 C SER A 52 1.312 -9.137 17.959 1.00 0.00 C ATOM 844 O SER A 52 0.313 -9.827 17.776 1.00 0.00 O ATOM 845 CB SER A 52 2.005 -9.126 20.330 1.00 0.00 C ATOM 846 OG SER A 52 2.863 -9.734 21.283 1.00 0.00 O ATOM 0 H SER A 52 4.015 -8.442 19.032 1.00 0.00 H new ATOM 0 HA SER A 52 2.338 -10.718 18.951 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.111 -8.042 20.373 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.966 -9.354 20.566 1.00 0.00 H new ATOM 0 HG SER A 52 2.641 -9.406 22.179 1.00 0.00 H new ATOM 852 N ILE A 53 1.532 -7.950 17.331 1.00 0.00 N ATOM 853 CA ILE A 53 0.705 -7.425 16.257 1.00 0.00 C ATOM 854 C ILE A 53 0.687 -8.379 15.096 1.00 0.00 C ATOM 855 O ILE A 53 -0.382 -8.730 14.599 1.00 0.00 O ATOM 856 CB ILE A 53 1.161 -6.049 15.773 1.00 0.00 C ATOM 857 CG1 ILE A 53 0.974 -4.982 16.871 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.462 -5.602 14.473 1.00 0.00 C ATOM 859 CD1 ILE A 53 -0.485 -4.695 17.194 1.00 0.00 C ATOM 0 H ILE A 53 2.308 -7.335 17.576 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.298 -7.313 16.668 1.00 0.00 H new ATOM 0 HB ILE A 53 2.223 -6.148 15.547 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.481 -5.312 17.778 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.457 -4.057 16.555 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.829 -4.618 14.182 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.676 -6.318 13.680 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.615 -5.554 14.637 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.542 -3.936 17.974 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.992 -4.335 16.299 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.967 -5.609 17.541 1.00 0.00 H new ATOM 871 N LYS A 54 1.886 -8.817 14.660 1.00 0.00 N ATOM 872 CA LYS A 54 2.061 -9.804 13.609 1.00 0.00 C ATOM 873 C LYS A 54 1.454 -11.135 13.939 1.00 0.00 C ATOM 874 O LYS A 54 0.960 -11.821 13.045 1.00 0.00 O ATOM 875 CB LYS A 54 3.519 -10.143 13.268 1.00 0.00 C ATOM 876 CG LYS A 54 4.210 -9.047 12.457 1.00 0.00 C ATOM 877 CD LYS A 54 5.666 -9.373 12.094 1.00 0.00 C ATOM 878 CE LYS A 54 5.854 -9.886 10.661 1.00 0.00 C ATOM 879 NZ LYS A 54 5.092 -11.132 10.421 1.00 0.00 N ATOM 0 H LYS A 54 2.768 -8.479 15.045 1.00 0.00 H new ATOM 0 HA LYS A 54 1.569 -9.307 12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.074 -10.309 14.191 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.548 -11.077 12.706 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.646 -8.875 11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.186 -8.117 13.025 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.272 -8.478 12.230 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.043 -10.123 12.789 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.531 -9.121 9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.913 -10.065 10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.257 -11.458 9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.405 -11.865 11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.077 -10.950 10.558 1.00 0.00 H new ATOM 893 N ALA A 55 1.470 -11.532 15.234 1.00 0.00 N ATOM 894 CA ALA A 55 0.918 -12.781 15.685 1.00 0.00 C ATOM 895 C ALA A 55 -0.582 -12.761 15.842 1.00 0.00 C ATOM 896 O ALA A 55 -1.150 -13.738 16.323 1.00 0.00 O ATOM 897 CB ALA A 55 1.498 -13.220 17.039 1.00 0.00 C ATOM 0 H ALA A 55 1.876 -10.971 15.983 1.00 0.00 H new ATOM 0 HA ALA A 55 1.192 -13.481 14.896 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.050 -14.168 17.337 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.578 -13.341 16.950 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.278 -12.463 17.792 1.00 0.00 H new ATOM 903 N ILE A 56 -1.279 -11.678 15.419 1.00 0.00 N ATOM 904 CA ILE A 56 -2.717 -11.680 15.356 1.00 0.00 C ATOM 905 C ILE A 56 -3.092 -12.290 14.035 1.00 0.00 C ATOM 906 O ILE A 56 -4.198 -12.806 13.881 1.00 0.00 O ATOM 907 CB ILE A 56 -3.349 -10.307 15.520 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.838 -9.591 16.791 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.887 -10.408 15.565 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.881 -10.438 18.065 1.00 0.00 C ATOM 0 H ILE A 56 -0.846 -10.804 15.122 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.103 -12.256 16.197 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.056 -9.717 14.652 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.811 -9.268 16.621 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.433 -8.692 16.949 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.314 -9.412 15.683 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.250 -10.851 14.637 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.186 -11.033 16.407 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.504 -9.853 18.904 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.909 -10.740 18.266 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.261 -11.325 17.933 1.00 0.00 H new ATOM 922 N CYS A 57 -2.157 -12.285 13.053 1.00 0.00 N ATOM 923 CA CYS A 57 -2.399 -12.933 11.793 1.00 0.00 C ATOM 924 C CYS A 57 -2.172 -14.421 11.905 1.00 0.00 C ATOM 925 O CYS A 57 -2.684 -15.189 11.092 1.00 0.00 O ATOM 926 CB CYS A 57 -1.610 -12.352 10.608 1.00 0.00 C ATOM 927 SG CYS A 57 -2.311 -12.929 9.033 1.00 0.00 S ATOM 0 H CYS A 57 -1.244 -11.837 13.132 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.447 -12.735 11.566 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.634 -11.263 10.646 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.564 -12.650 10.678 1.00 0.00 H new ATOM 932 N GLU A 58 -1.425 -14.866 12.945 1.00 0.00 N ATOM 933 CA GLU A 58 -1.401 -16.255 13.322 1.00 0.00 C ATOM 934 C GLU A 58 -2.726 -16.581 13.921 1.00 0.00 C ATOM 935 O GLU A 58 -3.305 -15.769 14.639 1.00 0.00 O ATOM 936 CB GLU A 58 -0.376 -16.606 14.412 1.00 0.00 C ATOM 937 CG GLU A 58 1.066 -16.552 13.915 1.00 0.00 C ATOM 938 CD GLU A 58 1.986 -16.812 15.098 1.00 0.00 C ATOM 939 OE1 GLU A 58 1.854 -17.896 15.726 1.00 0.00 O ATOM 940 OE2 GLU A 58 2.835 -15.928 15.390 1.00 0.00 O ATOM 0 H GLU A 58 -0.839 -14.263 13.523 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.146 -16.807 12.417 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.492 -15.916 15.248 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.586 -17.606 14.792 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.228 -17.297 13.136 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.280 -15.579 13.474 1.00 0.00 H new ATOM 947 N ASN A 59 -3.214 -17.808 13.638 1.00 0.00 N ATOM 948 CA ASN A 59 -4.540 -18.240 13.987 1.00 0.00 C ATOM 949 C ASN A 59 -4.645 -18.693 15.416 1.00 0.00 C ATOM 950 O ASN A 59 -5.747 -18.967 15.889 1.00 0.00 O ATOM 951 CB ASN A 59 -5.068 -19.362 13.064 1.00 0.00 C ATOM 952 CG ASN A 59 -4.117 -20.566 13.045 1.00 0.00 C ATOM 953 OD1 ASN A 59 -4.209 -21.481 13.870 1.00 0.00 O ATOM 954 ND2 ASN A 59 -3.196 -20.564 12.030 1.00 0.00 N ATOM 0 H ASN A 59 -2.670 -18.521 13.152 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.162 -17.355 13.852 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.054 -19.680 13.403 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.189 -18.976 12.052 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.545 -21.343 11.930 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.161 -19.783 11.374 1.00 0.00 H new ATOM 961 N LYS A 60 -3.501 -18.789 16.128 1.00 0.00 N ATOM 962 CA LYS A 60 -3.477 -19.240 17.490 1.00 0.00 C ATOM 963 C LYS A 60 -3.845 -18.101 18.388 1.00 0.00 C ATOM 964 O LYS A 60 -4.579 -18.271 19.363 1.00 0.00 O ATOM 965 CB LYS A 60 -2.075 -19.761 17.886 1.00 0.00 C ATOM 966 CG LYS A 60 -1.947 -20.361 19.299 1.00 0.00 C ATOM 967 CD LYS A 60 -2.834 -21.591 19.541 1.00 0.00 C ATOM 968 CE LYS A 60 -2.618 -22.206 20.927 1.00 0.00 C ATOM 969 NZ LYS A 60 -3.520 -23.362 21.117 1.00 0.00 N ATOM 0 H LYS A 60 -2.583 -18.551 15.753 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.190 -20.058 17.593 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.775 -20.519 17.163 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.366 -18.938 17.798 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.907 -20.637 19.472 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.200 -19.595 20.032 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.881 -21.307 19.432 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.626 -22.341 18.778 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.581 -22.523 21.035 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.805 -21.459 21.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.365 -23.772 22.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.508 -23.049 21.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.322 -24.080 20.391 1.00 0.00 H new ATOM 983 N ASN A 61 -3.302 -16.912 18.071 1.00 0.00 N ATOM 984 CA ASN A 61 -3.319 -15.773 18.943 1.00 0.00 C ATOM 985 C ASN A 61 -4.133 -14.698 18.277 1.00 0.00 C ATOM 986 O ASN A 61 -4.118 -13.535 18.678 1.00 0.00 O ATOM 987 CB ASN A 61 -1.859 -15.356 19.235 1.00 0.00 C ATOM 988 CG ASN A 61 -1.747 -14.214 20.243 1.00 0.00 C ATOM 989 OD1 ASN A 61 -2.410 -14.199 21.287 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.849 -13.242 19.897 1.00 0.00 N ATOM 0 H ASN A 61 -2.836 -16.735 17.181 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.783 -15.986 19.906 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.310 -16.219 19.612 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.381 -15.057 18.303 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.695 -12.446 20.516 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.333 -13.313 19.020 1.00 0.00 H new ATOM 997 N GLY A 62 -4.915 -15.074 17.248 1.00 0.00 N ATOM 998 CA GLY A 62 -5.836 -14.138 16.685 1.00 0.00 C ATOM 999 C GLY A 62 -6.640 -14.855 15.654 1.00 0.00 C ATOM 1000 O GLY A 62 -6.120 -15.262 14.619 1.00 0.00 O ATOM 0 H GLY A 62 -4.911 -15.998 16.817 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.485 -13.728 17.459 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.303 -13.299 16.238 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.947 -15.025 15.934 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.786 -15.898 15.167 1.00 0.00 C ATOM 1006 C ASN A 63 -9.477 -15.043 14.158 1.00 0.00 C ATOM 1007 O ASN A 63 -9.667 -13.867 14.460 1.00 0.00 O ATOM 1008 CB ASN A 63 -9.879 -16.542 16.032 1.00 0.00 C ATOM 1009 CG ASN A 63 -9.196 -17.197 17.228 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -8.499 -18.212 17.099 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.407 -16.570 18.424 1.00 0.00 N ATOM 0 H ASN A 63 -8.427 -14.552 16.700 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.175 -16.688 14.730 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.596 -15.791 16.365 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.436 -17.282 15.457 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.979 -16.936 19.274 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.992 -15.736 18.466 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.874 -15.533 12.994 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.641 -14.769 12.055 1.00 0.00 C ATOM 1020 C PRO A 64 -12.022 -14.651 12.633 1.00 0.00 C ATOM 1021 O PRO A 64 -12.686 -15.669 12.831 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.613 -15.583 10.759 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.296 -17.019 11.193 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.490 -16.835 12.480 1.00 0.00 C ATOM 0 HA PRO A 64 -10.268 -13.764 11.858 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.570 -15.531 10.240 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.857 -15.203 10.072 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.205 -17.595 11.368 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.723 -17.550 10.433 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.714 -17.623 13.199 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.419 -16.879 12.282 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.453 -13.400 12.901 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.771 -13.126 13.377 1.00 0.00 C ATOM 1034 C HIS A 65 -14.562 -12.897 12.132 1.00 0.00 C ATOM 1035 O HIS A 65 -14.243 -11.997 11.355 1.00 0.00 O ATOM 1036 CB HIS A 65 -13.866 -11.907 14.335 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.970 -10.567 13.698 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -12.853 -9.866 13.391 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -15.024 -9.823 13.295 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -13.231 -8.743 12.808 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -14.539 -8.688 12.740 1.00 0.00 N ATOM 0 H HIS A 65 -11.874 -12.569 12.784 1.00 0.00 H new ATOM 0 HA HIS A 65 -14.138 -13.952 13.986 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -14.734 -12.047 14.979 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.987 -11.911 14.980 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -16.066 -10.087 13.398 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.560 -7.981 12.441 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.091 -7.928 12.341 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.602 -13.738 11.932 1.00 0.00 N ATOM 1051 CA ARG A 66 -16.505 -13.709 10.810 1.00 0.00 C ATOM 1052 C ARG A 66 -15.801 -13.950 9.505 1.00 0.00 C ATOM 1053 O ARG A 66 -15.590 -15.101 9.123 1.00 0.00 O ATOM 1054 CB ARG A 66 -17.438 -12.474 10.777 1.00 0.00 C ATOM 1055 CG ARG A 66 -18.624 -12.629 9.807 1.00 0.00 C ATOM 1056 CD ARG A 66 -19.731 -11.590 10.014 1.00 0.00 C ATOM 1057 NE ARG A 66 -20.365 -11.853 11.340 1.00 0.00 N ATOM 1058 CZ ARG A 66 -21.532 -11.241 11.699 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -22.135 -10.350 10.859 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -22.099 -11.525 12.908 1.00 0.00 N ATOM 0 H ARG A 66 -15.826 -14.482 12.592 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.179 -14.552 10.962 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.821 -12.290 11.781 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.857 -11.597 10.492 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.256 -12.556 8.783 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.048 -13.626 9.923 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.319 -10.582 9.982 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.471 -11.657 9.217 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.919 -12.501 11.989 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -21.714 -10.136 9.955 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -23.006 -9.898 11.136 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -21.651 -12.191 13.537 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -22.970 -11.071 13.182 1.00 0.00 H new ATOM 1074 N GLU A 67 -15.452 -12.860 8.788 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.933 -12.937 7.457 1.00 0.00 C ATOM 1076 C GLU A 67 -13.589 -12.275 7.429 1.00 0.00 C ATOM 1077 O GLU A 67 -13.457 -11.126 7.009 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.886 -12.289 6.430 1.00 0.00 C ATOM 1079 CG GLU A 67 -15.523 -12.576 4.967 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.601 -11.966 4.081 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.778 -12.399 4.191 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -16.257 -11.057 3.279 1.00 0.00 O ATOM 0 H GLU A 67 -15.533 -11.907 9.143 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.838 -13.986 7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.900 -12.644 6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.892 -11.210 6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.548 -12.151 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.453 -13.650 4.796 1.00 0.00 H new ATOM 1089 N ASN A 68 -12.559 -13.048 7.852 1.00 0.00 N ATOM 1090 CA ASN A 68 -11.134 -12.888 7.617 1.00 0.00 C ATOM 1091 C ASN A 68 -10.452 -11.688 8.221 1.00 0.00 C ATOM 1092 O ASN A 68 -9.302 -11.413 7.883 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.661 -13.114 6.142 1.00 0.00 C ATOM 1094 CG ASN A 68 -11.248 -12.148 5.096 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -12.045 -12.577 4.251 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.846 -10.843 5.150 1.00 0.00 N ATOM 0 H ASN A 68 -12.742 -13.875 8.420 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.782 -13.733 8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.574 -13.035 6.113 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.915 -14.133 5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.205 -10.170 4.473 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.187 -10.542 5.868 1.00 0.00 H new ATOM 1103 N LEU A 69 -11.118 -10.954 9.138 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.467 -9.874 9.829 1.00 0.00 C ATOM 1105 C LEU A 69 -10.224 -10.541 11.123 1.00 0.00 C ATOM 1106 O LEU A 69 -11.003 -11.416 11.477 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.310 -8.613 10.087 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.477 -8.331 9.115 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.271 -7.098 9.583 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -12.011 -8.120 7.663 1.00 0.00 C ATOM 0 H LEU A 69 -12.093 -11.104 9.399 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.622 -9.487 9.259 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.719 -8.681 11.095 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.642 -7.752 10.072 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.113 -9.216 9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.091 -6.909 8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.673 -7.281 10.580 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.612 -6.230 9.611 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.875 -7.926 7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.331 -7.270 7.619 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.497 -9.015 7.312 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.137 -10.203 11.839 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.625 -11.120 12.817 1.00 0.00 C ATOM 1124 C ARG A 70 -8.562 -10.423 14.118 1.00 0.00 C ATOM 1125 O ARG A 70 -7.854 -9.429 14.269 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.246 -11.697 12.459 1.00 0.00 C ATOM 1127 CG ARG A 70 -7.334 -12.695 11.295 1.00 0.00 C ATOM 1128 CD ARG A 70 -5.983 -13.271 10.886 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.219 -14.307 9.836 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.191 -15.648 10.108 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -5.913 -16.109 11.361 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.446 -16.540 9.106 1.00 0.00 N ATOM 0 H ARG A 70 -8.625 -9.326 11.749 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.302 -11.974 12.856 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.570 -10.885 12.192 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.821 -12.192 13.332 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.998 -13.512 11.576 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.785 -12.200 10.435 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.333 -12.483 10.504 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.480 -13.710 11.748 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.408 -14.004 8.881 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.721 -15.450 12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.897 -17.112 11.543 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.655 -16.205 8.166 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.428 -17.542 9.298 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.326 -10.959 15.088 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.490 -10.333 16.357 1.00 0.00 C ATOM 1148 C ILE A 71 -8.489 -10.975 17.248 1.00 0.00 C ATOM 1149 O ILE A 71 -8.295 -12.186 17.201 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.914 -10.462 16.882 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.193 -9.468 18.027 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.288 -11.916 17.258 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.685 -9.145 18.136 1.00 0.00 C ATOM 0 H ILE A 71 -9.835 -11.837 14.987 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.326 -9.257 16.297 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.573 -10.192 16.057 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.840 -9.888 18.969 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.632 -8.549 17.858 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.314 -11.944 17.625 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.200 -12.553 16.378 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.614 -12.276 18.036 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.846 -8.442 18.953 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.030 -8.702 17.202 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.242 -10.061 18.331 1.00 0.00 H new ATOM 1165 N SER A 72 -7.811 -10.154 18.067 1.00 0.00 N ATOM 1166 CA SER A 72 -6.736 -10.633 18.884 1.00 0.00 C ATOM 1167 C SER A 72 -7.233 -11.305 20.121 1.00 0.00 C ATOM 1168 O SER A 72 -8.390 -11.162 20.512 1.00 0.00 O ATOM 1169 CB SER A 72 -5.806 -9.505 19.334 1.00 0.00 C ATOM 1170 OG SER A 72 -6.494 -8.565 20.134 1.00 0.00 O ATOM 0 H SER A 72 -8.005 -9.158 18.165 1.00 0.00 H new ATOM 0 HA SER A 72 -6.195 -11.340 18.255 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.970 -9.922 19.895 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.386 -9.006 18.461 1.00 0.00 H new ATOM 0 HG SER A 72 -5.850 -7.947 20.539 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.320 -12.064 20.765 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.579 -12.696 22.025 1.00 0.00 C ATOM 1178 C LYS A 73 -5.565 -12.179 22.988 1.00 0.00 C ATOM 1179 O LYS A 73 -5.699 -12.379 24.195 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.464 -14.233 21.976 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.674 -14.924 21.328 1.00 0.00 C ATOM 1182 CD LYS A 73 -8.950 -14.807 22.178 1.00 0.00 C ATOM 1183 CE LYS A 73 -10.142 -15.576 21.602 1.00 0.00 C ATOM 1184 NZ LYS A 73 -11.312 -15.452 22.498 1.00 0.00 N ATOM 0 H LYS A 73 -5.384 -12.241 20.401 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.604 -12.467 22.315 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.564 -14.503 21.424 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.341 -14.612 22.991 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.855 -14.486 20.346 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.444 -15.977 21.169 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.742 -15.175 23.183 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.218 -13.755 22.273 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.390 -15.190 20.613 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.880 -16.627 21.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.114 -15.978 22.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.076 -15.841 23.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.570 -14.449 22.596 1.00 0.00 H new ATOM 1198 N SER A 74 -4.531 -11.483 22.471 1.00 0.00 N ATOM 1199 CA SER A 74 -3.552 -10.823 23.266 1.00 0.00 C ATOM 1200 C SER A 74 -3.905 -9.375 23.202 1.00 0.00 C ATOM 1201 O SER A 74 -3.356 -8.629 22.395 1.00 0.00 O ATOM 1202 CB SER A 74 -2.132 -11.027 22.720 1.00 0.00 C ATOM 1203 OG SER A 74 -2.107 -10.865 21.311 1.00 0.00 O ATOM 0 H SER A 74 -4.377 -11.380 21.468 1.00 0.00 H new ATOM 0 HA SER A 74 -3.553 -11.220 24.281 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.452 -10.313 23.185 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.776 -12.023 22.983 1.00 0.00 H new ATOM 0 HG SER A 74 -2.518 -10.008 21.073 1.00 0.00 H new ATOM 1209 N SER A 75 -4.857 -8.987 24.073 1.00 0.00 N ATOM 1210 CA SER A 75 -5.340 -7.643 24.296 1.00 0.00 C ATOM 1211 C SER A 75 -4.220 -6.662 24.452 1.00 0.00 C ATOM 1212 O SER A 75 -3.328 -6.839 25.282 1.00 0.00 O ATOM 1213 CB SER A 75 -6.187 -7.522 25.574 1.00 0.00 C ATOM 1214 OG SER A 75 -7.297 -8.403 25.516 1.00 0.00 O ATOM 0 H SER A 75 -5.330 -9.663 24.672 1.00 0.00 H new ATOM 0 HA SER A 75 -5.941 -7.422 23.414 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.576 -7.754 26.446 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.535 -6.496 25.692 1.00 0.00 H new ATOM 0 HG SER A 75 -7.603 -8.483 24.588 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.253 -5.608 23.612 1.00 0.00 N ATOM 1221 CA PHE A 76 -3.177 -4.667 23.506 1.00 0.00 C ATOM 1222 C PHE A 76 -3.585 -3.459 24.245 1.00 0.00 C ATOM 1223 O PHE A 76 -4.775 -3.210 24.439 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.903 -4.177 22.071 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.420 -5.293 21.213 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.332 -6.131 20.610 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -1.068 -5.483 20.976 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.907 -7.176 19.834 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.636 -6.532 20.184 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.564 -7.394 19.637 1.00 0.00 C ATOM 0 H PHE A 76 -5.040 -5.406 22.996 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.286 -5.172 23.879 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.814 -3.754 21.647 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.160 -3.380 22.090 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.390 -5.963 20.750 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.347 -4.808 21.412 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.631 -7.833 19.374 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.418 -6.675 19.996 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.235 -8.241 19.053 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.576 -2.664 24.652 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.835 -1.396 25.241 1.00 0.00 C ATOM 1242 C GLN A 77 -3.137 -0.473 24.132 1.00 0.00 C ATOM 1243 O GLN A 77 -2.566 -0.585 23.054 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.666 -0.824 26.055 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.986 -1.734 27.075 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.469 -0.828 28.189 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.514 -0.094 28.031 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.199 -0.887 29.345 1.00 0.00 N ATOM 0 H GLN A 77 -1.588 -2.903 24.571 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.656 -1.515 25.948 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.905 -0.484 25.352 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.028 0.058 26.584 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.688 -2.469 27.468 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.168 -2.289 26.615 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.000 -1.515 29.411 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.942 -0.303 30.141 1.00 0.00 H new ATOM 1257 N VAL A 78 -4.082 0.453 24.370 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.643 1.225 23.306 1.00 0.00 C ATOM 1259 C VAL A 78 -4.867 2.596 23.854 1.00 0.00 C ATOM 1260 O VAL A 78 -5.263 2.766 25.003 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.918 0.556 22.810 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -7.087 1.515 22.495 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.488 -0.276 21.592 1.00 0.00 C ATOM 0 H VAL A 78 -4.456 0.667 25.294 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.986 1.293 22.439 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.344 -0.058 23.604 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.946 0.940 22.150 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.358 2.067 23.395 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.783 2.216 21.717 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.355 -0.790 21.178 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.060 0.381 20.835 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.743 -1.011 21.898 1.00 0.00 H new ATOM 1273 N THR A 79 -4.605 3.619 23.020 1.00 0.00 N ATOM 1274 CA THR A 79 -5.039 4.951 23.304 1.00 0.00 C ATOM 1275 C THR A 79 -5.710 5.365 22.052 1.00 0.00 C ATOM 1276 O THR A 79 -5.050 5.658 21.058 1.00 0.00 O ATOM 1277 CB THR A 79 -3.945 5.940 23.619 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.223 5.510 24.755 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.560 7.308 23.950 1.00 0.00 C ATOM 0 H THR A 79 -4.090 3.522 22.145 1.00 0.00 H new ATOM 0 HA THR A 79 -5.657 4.947 24.202 1.00 0.00 H new ATOM 0 HB THR A 79 -3.288 6.014 22.753 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.636 4.765 24.507 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.765 8.019 24.177 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.134 7.666 23.095 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.218 7.212 24.814 1.00 0.00 H new ATOM 1287 N THR A 80 -7.054 5.407 22.093 1.00 0.00 N ATOM 1288 CA THR A 80 -7.831 5.912 21.003 1.00 0.00 C ATOM 1289 C THR A 80 -7.816 7.398 21.154 1.00 0.00 C ATOM 1290 O THR A 80 -8.554 7.952 21.966 1.00 0.00 O ATOM 1291 CB THR A 80 -9.241 5.379 21.017 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.195 3.961 21.023 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.015 5.851 19.774 1.00 0.00 C ATOM 0 H THR A 80 -7.607 5.088 22.889 1.00 0.00 H new ATOM 0 HA THR A 80 -7.412 5.596 20.047 1.00 0.00 H new ATOM 0 HB THR A 80 -9.750 5.750 21.907 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.800 3.643 20.184 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.030 5.455 19.805 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.051 6.940 19.760 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.513 5.493 18.875 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.949 8.071 20.368 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.812 9.491 20.453 1.00 0.00 C ATOM 1303 C CYS A 81 -7.848 10.045 19.544 1.00 0.00 C ATOM 1304 O CYS A 81 -7.775 9.876 18.329 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.458 10.019 19.953 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.044 9.489 20.964 1.00 0.00 S ATOM 0 H CYS A 81 -6.345 7.629 19.675 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.904 9.782 21.499 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.305 9.684 18.927 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.489 11.108 19.932 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.850 10.708 20.143 1.00 0.00 N ATOM 1312 CA LYS A 82 -9.984 11.186 19.417 1.00 0.00 C ATOM 1313 C LYS A 82 -9.856 12.666 19.440 1.00 0.00 C ATOM 1314 O LYS A 82 -9.408 13.236 20.431 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.320 10.781 20.063 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.547 11.102 19.198 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.838 10.551 19.807 1.00 0.00 C ATOM 1318 CE LYS A 82 -15.059 10.751 18.907 1.00 0.00 C ATOM 1319 NZ LYS A 82 -16.255 10.139 19.526 1.00 0.00 N ATOM 0 H LYS A 82 -8.875 10.915 21.141 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.996 10.762 18.413 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.303 9.711 20.271 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.419 11.291 21.021 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.634 12.182 19.079 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.408 10.682 18.202 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.713 9.487 20.008 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.017 11.038 20.766 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.229 11.815 18.744 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.877 10.304 17.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.078 10.281 18.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.094 9.120 19.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.435 10.585 20.448 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.236 13.308 18.324 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.060 14.712 18.101 1.00 0.00 C ATOM 1335 C LEU A 83 -11.207 15.390 18.766 1.00 0.00 C ATOM 1336 O LEU A 83 -12.356 15.297 18.336 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.038 14.929 16.568 1.00 0.00 C ATOM 1338 CG LEU A 83 -9.831 16.319 15.913 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -11.139 17.074 15.640 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.780 17.232 16.559 1.00 0.00 C ATOM 0 H LEU A 83 -10.685 12.831 17.542 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.134 15.117 18.509 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.253 14.283 16.176 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.985 14.546 16.188 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.396 16.044 14.952 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.914 18.037 15.181 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.763 16.488 14.966 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.669 17.234 16.579 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.729 18.173 16.011 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.057 17.430 17.594 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.806 16.743 16.531 1.00 0.00 H new ATOM 1352 N HIS A 84 -10.868 16.086 19.867 1.00 0.00 N ATOM 1353 CA HIS A 84 -11.792 16.781 20.704 1.00 0.00 C ATOM 1354 C HIS A 84 -11.795 18.186 20.203 1.00 0.00 C ATOM 1355 O HIS A 84 -10.849 18.610 19.541 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.307 16.732 22.166 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.355 16.999 23.205 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -12.596 18.241 23.728 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -13.169 16.131 23.849 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -13.530 18.127 24.661 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -13.896 16.855 24.755 1.00 0.00 N ATOM 0 H HIS A 84 -9.903 16.167 20.187 1.00 0.00 H new ATOM 0 HA HIS A 84 -12.789 16.341 20.677 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.876 15.749 22.354 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.505 17.460 22.289 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -12.135 19.107 23.447 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -13.233 15.066 23.680 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -13.929 18.939 25.250 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.868 18.944 20.502 1.00 0.00 N ATOM 1371 CA GLY A 85 -12.997 20.287 20.015 1.00 0.00 C ATOM 1372 C GLY A 85 -13.770 20.228 18.745 1.00 0.00 C ATOM 1373 O GLY A 85 -14.999 20.291 18.751 1.00 0.00 O ATOM 0 H GLY A 85 -13.646 18.628 21.081 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.508 20.913 20.747 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.015 20.730 19.847 1.00 0.00 H new ATOM 1377 N GLY A 86 -13.031 20.102 17.627 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.609 20.044 16.319 1.00 0.00 C ATOM 1379 C GLY A 86 -12.991 21.112 15.491 1.00 0.00 C ATOM 1380 O GLY A 86 -13.673 21.751 14.689 1.00 0.00 O ATOM 0 H GLY A 86 -12.013 20.039 17.632 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.435 19.066 15.870 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.689 20.182 16.374 1.00 0.00 H new ATOM 1384 N SER A 87 -11.670 21.308 15.662 1.00 0.00 N ATOM 1385 CA SER A 87 -10.884 22.087 14.747 1.00 0.00 C ATOM 1386 C SER A 87 -10.333 21.088 13.761 1.00 0.00 C ATOM 1387 O SER A 87 -9.635 20.172 14.192 1.00 0.00 O ATOM 1388 CB SER A 87 -9.718 22.838 15.426 1.00 0.00 C ATOM 1389 OG SER A 87 -8.972 21.982 16.281 1.00 0.00 O ATOM 0 H SER A 87 -11.139 20.923 16.443 1.00 0.00 H new ATOM 0 HA SER A 87 -11.501 22.861 14.291 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.060 23.255 14.664 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.110 23.676 16.002 1.00 0.00 H new ATOM 0 HG SER A 87 -8.945 21.080 15.898 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.591 21.178 12.459 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.102 20.191 11.535 1.00 0.00 C ATOM 1397 C PRO A 88 -8.744 20.628 11.063 1.00 0.00 C ATOM 1398 O PRO A 88 -8.108 19.840 10.371 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.101 20.200 10.375 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.755 21.581 10.426 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.706 21.933 11.910 1.00 0.00 C ATOM 0 HA PRO A 88 -10.012 19.195 11.970 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.600 20.036 9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.842 19.408 10.486 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.211 22.307 9.821 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.778 21.556 10.051 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.562 23.004 12.053 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.640 21.668 12.406 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.293 21.859 11.388 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.041 22.375 10.918 1.00 0.00 C ATOM 1411 C TRP A 89 -6.122 22.455 12.098 1.00 0.00 C ATOM 1412 O TRP A 89 -6.629 22.426 13.218 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.228 23.774 10.309 1.00 0.00 C ATOM 1414 CG TRP A 89 -8.159 23.720 9.127 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.439 24.176 9.023 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.867 23.032 7.898 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.954 23.845 7.791 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -9.000 23.130 7.095 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.754 22.355 7.481 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.037 22.552 5.857 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.798 21.753 6.243 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.921 21.853 5.441 1.00 0.00 C ATOM 0 H TRP A 89 -8.807 22.505 11.987 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.631 21.726 10.144 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.627 24.453 11.062 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.262 24.173 10.000 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.970 24.716 9.793 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.884 24.087 7.449 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.872 22.295 8.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -9.909 22.639 5.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.943 21.194 5.893 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -7.925 21.376 4.472 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.803 22.551 11.918 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.873 22.552 13.014 1.00 0.00 C ATOM 1435 C PRO A 90 -3.967 23.899 13.695 1.00 0.00 C ATOM 1436 O PRO A 90 -4.172 24.878 12.978 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.484 22.378 12.385 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.682 22.611 10.884 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.144 22.241 10.662 1.00 0.00 C ATOM 0 HA PRO A 90 -4.071 21.767 13.744 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.772 23.090 12.802 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.088 21.381 12.578 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.483 23.646 10.608 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.014 21.988 10.289 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.575 22.811 9.839 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.251 21.186 10.410 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.805 24.039 15.001 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.466 22.997 15.928 1.00 0.00 C ATOM 1449 C PRO A 91 -4.727 22.292 16.309 1.00 0.00 C ATOM 1450 O PRO A 91 -5.829 22.793 16.081 1.00 0.00 O ATOM 1451 CB PRO A 91 -2.908 23.719 17.146 1.00 0.00 C ATOM 1452 CG PRO A 91 -3.580 25.089 17.097 1.00 0.00 C ATOM 1453 CD PRO A 91 -3.711 25.355 15.596 1.00 0.00 C ATOM 0 HA PRO A 91 -2.758 22.274 15.522 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.146 23.190 18.069 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.822 23.804 17.098 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.551 25.080 17.591 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -2.978 25.852 17.591 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.594 25.954 15.375 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -2.850 25.903 15.213 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.535 21.106 16.897 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.599 20.202 17.201 1.00 0.00 C ATOM 1463 C CYS A 92 -5.630 20.069 18.685 1.00 0.00 C ATOM 1464 O CYS A 92 -4.636 20.336 19.358 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.338 18.788 16.657 1.00 0.00 C ATOM 1466 SG CYS A 92 -4.844 18.739 14.908 1.00 0.00 S ATOM 0 H CYS A 92 -3.615 20.762 17.171 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.518 20.589 16.760 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.557 18.319 17.256 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.240 18.190 16.785 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.782 19.619 19.216 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.899 19.232 20.591 1.00 0.00 C ATOM 1473 C GLN A 93 -7.233 17.783 20.509 1.00 0.00 C ATOM 1474 O GLN A 93 -8.142 17.409 19.774 1.00 0.00 O ATOM 1475 CB GLN A 93 -8.033 19.987 21.318 1.00 0.00 C ATOM 1476 CG GLN A 93 -8.207 19.619 22.798 1.00 0.00 C ATOM 1477 CD GLN A 93 -9.334 20.490 23.354 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -10.450 20.508 22.821 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -9.015 21.229 24.459 1.00 0.00 N ATOM 0 H GLN A 93 -7.646 19.522 18.683 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.992 19.453 21.153 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.843 21.058 21.245 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.971 19.794 20.798 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -8.450 18.562 22.905 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.282 19.791 23.348 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.077 21.174 24.856 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.715 21.835 24.887 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.495 16.930 21.244 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.749 15.518 21.219 1.00 0.00 C ATOM 1490 C TYR A 94 -6.985 15.058 22.604 1.00 0.00 C ATOM 1491 O TYR A 94 -6.130 15.234 23.468 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.557 14.686 20.756 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.499 14.734 19.285 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.401 13.976 18.577 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.584 15.520 18.618 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.466 14.070 17.208 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.632 15.602 17.245 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.596 14.909 16.550 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.684 15.062 15.160 1.00 0.00 O ATOM 0 H TYR A 94 -5.727 17.213 21.852 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.588 15.384 20.536 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.634 15.075 21.185 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.658 13.656 21.098 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.063 13.302 19.100 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.834 16.068 19.169 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.191 13.492 16.655 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.914 16.209 16.714 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.410 14.502 14.815 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.148 14.416 22.820 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.465 13.829 24.091 1.00 0.00 C ATOM 1511 C ARG A 95 -8.207 12.362 23.982 1.00 0.00 C ATOM 1512 O ARG A 95 -8.708 11.705 23.070 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.929 14.063 24.508 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.268 13.582 25.925 1.00 0.00 C ATOM 1515 CD ARG A 95 -11.667 14.013 26.365 1.00 0.00 C ATOM 1516 NE ARG A 95 -11.887 13.498 27.745 1.00 0.00 N ATOM 1517 CZ ARG A 95 -13.054 13.758 28.405 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -14.035 14.495 27.806 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -13.240 13.278 29.669 1.00 0.00 N ATOM 0 H ARG A 95 -8.874 14.302 22.112 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.846 14.298 24.856 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.149 15.128 24.437 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.582 13.555 23.799 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.196 12.495 25.964 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.532 13.976 26.626 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.757 15.099 26.343 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.421 13.617 25.684 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.160 12.947 28.201 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -13.898 14.854 26.861 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -14.905 14.686 28.303 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.509 12.727 30.118 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.110 13.470 30.165 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.415 11.821 24.932 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.137 10.413 24.987 1.00 0.00 C ATOM 1535 C ALA A 96 -8.283 9.692 25.610 1.00 0.00 C ATOM 1536 O ALA A 96 -8.757 10.062 26.683 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.931 10.079 25.873 1.00 0.00 C ATOM 0 H ALA A 96 -6.964 12.364 25.668 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.948 10.113 23.956 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.769 9.001 25.876 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.044 10.578 25.483 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.121 10.420 26.891 1.00 0.00 H new ATOM 1543 N THR A 97 -8.725 8.610 24.935 1.00 0.00 N ATOM 1544 CA THR A 97 -9.689 7.690 25.466 1.00 0.00 C ATOM 1545 C THR A 97 -8.956 6.386 25.503 1.00 0.00 C ATOM 1546 O THR A 97 -8.969 5.626 24.535 1.00 0.00 O ATOM 1547 CB THR A 97 -10.934 7.584 24.614 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.479 8.880 24.420 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.991 6.699 25.304 1.00 0.00 C ATOM 0 H THR A 97 -8.404 8.369 23.997 1.00 0.00 H new ATOM 0 HA THR A 97 -10.053 8.012 26.442 1.00 0.00 H new ATOM 0 HB THR A 97 -10.664 7.136 23.657 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.285 8.816 23.867 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.879 6.635 24.675 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.584 5.700 25.459 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.259 7.135 26.266 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.274 6.117 26.635 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.429 4.963 26.749 1.00 0.00 C ATOM 1559 C ALA A 98 -8.238 3.780 27.161 1.00 0.00 C ATOM 1560 O ALA A 98 -9.084 3.867 28.050 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.306 5.138 27.780 1.00 0.00 C ATOM 0 H ALA A 98 -8.308 6.699 27.472 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.977 4.822 25.767 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.703 4.231 27.819 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.677 5.980 27.493 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.740 5.327 28.762 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.963 2.634 26.508 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.580 1.390 26.852 1.00 0.00 C ATOM 1569 C GLY A 99 -7.514 0.354 26.770 1.00 0.00 C ATOM 1570 O GLY A 99 -6.371 0.650 26.443 1.00 0.00 O ATOM 0 H GLY A 99 -7.304 2.571 25.732 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.005 1.432 27.855 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.398 1.160 26.169 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.869 -0.903 27.071 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.935 -1.984 26.998 1.00 0.00 C ATOM 1576 C PHE A 100 -7.793 -3.101 26.501 1.00 0.00 C ATOM 1577 O PHE A 100 -8.577 -3.671 27.257 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.294 -2.290 28.373 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.409 -3.488 28.309 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -4.132 -3.405 27.785 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.850 -4.693 28.826 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.339 -4.533 27.729 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -5.049 -5.814 28.786 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.791 -5.736 28.232 1.00 0.00 C ATOM 0 H PHE A 100 -8.807 -1.175 27.367 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.076 -1.783 26.357 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.717 -1.428 28.707 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.078 -2.454 29.112 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.756 -2.460 27.421 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.834 -4.756 29.266 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.355 -4.474 27.287 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.407 -6.750 29.188 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.161 -6.612 28.191 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.696 -3.398 25.187 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.659 -4.264 24.563 1.00 0.00 C ATOM 1596 C ARG A 101 -8.087 -4.794 23.289 1.00 0.00 C ATOM 1597 O ARG A 101 -6.991 -4.420 22.876 1.00 0.00 O ATOM 1598 CB ARG A 101 -10.024 -3.586 24.276 1.00 0.00 C ATOM 1599 CG ARG A 101 -9.974 -2.276 23.470 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.389 -1.752 23.181 1.00 0.00 C ATOM 1601 NE ARG A 101 -11.307 -0.415 22.514 1.00 0.00 N ATOM 1602 CZ ARG A 101 -11.334 0.755 23.222 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -11.383 0.745 24.584 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -11.315 1.949 22.559 1.00 0.00 N ATOM 0 H ARG A 101 -6.966 -3.047 24.567 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.862 -5.067 25.271 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.653 -4.296 23.738 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.514 -3.384 25.229 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.411 -1.525 24.024 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.445 -2.442 22.531 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.924 -2.455 22.543 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.954 -1.671 24.110 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.228 -0.375 21.498 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.400 -0.142 25.087 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -11.403 1.625 25.100 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -11.281 1.966 21.540 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -11.335 2.824 23.083 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.857 -5.705 22.659 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.499 -6.381 21.445 1.00 0.00 C ATOM 1620 C ASN A 102 -8.521 -5.457 20.278 1.00 0.00 C ATOM 1621 O ASN A 102 -9.352 -4.555 20.175 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.506 -7.481 21.058 1.00 0.00 C ATOM 1623 CG ASN A 102 -9.472 -8.631 22.062 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -8.476 -8.864 22.756 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -10.610 -9.391 22.099 1.00 0.00 N ATOM 0 H ASN A 102 -9.772 -5.983 23.013 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.509 -6.789 21.649 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.511 -7.061 21.015 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -9.275 -7.857 20.061 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.665 -10.196 22.722 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.403 -9.152 21.503 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.586 -5.730 19.349 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.522 -5.081 18.076 1.00 0.00 C ATOM 1634 C VAL A 103 -8.185 -6.036 17.134 1.00 0.00 C ATOM 1635 O VAL A 103 -8.088 -7.246 17.321 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.095 -4.798 17.624 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.445 -3.816 18.619 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.253 -6.086 17.518 1.00 0.00 C ATOM 0 H VAL A 103 -6.852 -6.424 19.489 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.006 -4.105 18.115 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.130 -4.360 16.627 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.422 -3.605 18.306 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.017 -2.888 18.640 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.436 -4.260 19.615 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.243 -5.835 17.193 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.210 -6.574 18.492 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.710 -6.761 16.794 1.00 0.00 H new ATOM 1648 N VAL A 104 -8.866 -5.519 16.089 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.266 -6.340 14.979 1.00 0.00 C ATOM 1650 C VAL A 104 -8.394 -5.853 13.873 1.00 0.00 C ATOM 1651 O VAL A 104 -8.732 -4.883 13.201 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.718 -6.176 14.571 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.033 -6.866 13.241 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.614 -6.871 15.602 1.00 0.00 C ATOM 0 H VAL A 104 -9.139 -4.539 16.012 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.168 -7.396 15.230 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.895 -5.103 14.494 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.085 -6.719 12.995 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.412 -6.439 12.453 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.827 -7.933 13.327 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.659 -6.756 15.313 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.364 -7.931 15.645 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.457 -6.421 16.582 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.244 -6.517 13.662 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.349 -6.110 12.606 1.00 0.00 C ATOM 1666 C VAL A 105 -6.691 -7.009 11.456 1.00 0.00 C ATOM 1667 O VAL A 105 -6.829 -8.218 11.632 1.00 0.00 O ATOM 1668 CB VAL A 105 -4.871 -6.175 12.917 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.555 -5.104 13.972 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.399 -7.549 13.413 1.00 0.00 C ATOM 0 H VAL A 105 -6.931 -7.321 14.206 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.497 -5.048 12.410 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.333 -5.996 11.986 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.492 -5.132 14.212 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.812 -4.120 13.580 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.136 -5.299 14.873 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.328 -7.515 13.614 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.932 -7.809 14.328 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.601 -8.300 12.650 1.00 0.00 H new ATOM 1680 N ALA A 106 -6.849 -6.433 10.251 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.181 -7.205 9.086 1.00 0.00 C ATOM 1682 C ALA A 106 -5.900 -7.479 8.370 1.00 0.00 C ATOM 1683 O ALA A 106 -5.081 -6.575 8.179 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.170 -6.517 8.138 1.00 0.00 C ATOM 0 H ALA A 106 -6.748 -5.433 10.080 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.685 -8.115 9.411 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.368 -7.166 7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.102 -6.318 8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.744 -5.577 7.788 1.00 0.00 H new ATOM 1690 N CYS A 107 -5.720 -8.769 8.000 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.461 -9.301 7.562 1.00 0.00 C ATOM 1692 C CYS A 107 -4.492 -9.640 6.108 1.00 0.00 C ATOM 1693 O CYS A 107 -5.428 -10.270 5.618 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.095 -10.590 8.328 1.00 0.00 C ATOM 1695 SG CYS A 107 -2.469 -11.253 7.910 1.00 0.00 S ATOM 0 H CYS A 107 -6.472 -9.458 8.007 1.00 0.00 H new ATOM 0 HA CYS A 107 -3.720 -8.525 7.755 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -4.129 -10.387 9.398 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.850 -11.349 8.123 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.413 -9.238 5.405 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.129 -9.665 4.068 1.00 0.00 C ATOM 1702 C GLU A 108 -1.684 -10.050 4.104 1.00 0.00 C ATOM 1703 O GLU A 108 -0.870 -9.321 4.661 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.303 -8.532 3.036 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.100 -8.952 1.576 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.349 -7.727 0.706 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.587 -6.734 0.850 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.305 -7.769 -0.114 1.00 0.00 O ATOM 0 H GLU A 108 -2.716 -8.595 5.781 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.805 -10.466 3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.304 -8.114 3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.598 -7.735 3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.089 -9.331 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.786 -9.756 1.310 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.340 -11.210 3.497 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.001 -11.723 3.270 1.00 0.00 C ATOM 1717 C ASN A 109 0.766 -12.159 4.492 1.00 0.00 C ATOM 1718 O ASN A 109 1.970 -12.399 4.404 1.00 0.00 O ATOM 1719 CB ASN A 109 0.919 -10.895 2.316 1.00 0.00 C ATOM 1720 CG ASN A 109 1.522 -9.588 2.872 1.00 0.00 C ATOM 1721 OD1 ASN A 109 2.487 -9.587 3.645 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.954 -8.438 2.397 1.00 0.00 N ATOM 0 H ASN A 109 -2.052 -11.844 3.134 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.268 -12.629 2.726 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.741 -11.537 1.999 1.00 0.00 H new ATOM 0 HB3 ASN A 109 0.344 -10.648 1.423 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.326 -7.531 2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.158 -8.487 1.761 1.00 0.00 H new ATOM 1729 N GLY A 110 0.098 -12.294 5.658 1.00 0.00 N ATOM 1730 CA GLY A 110 0.767 -12.671 6.872 1.00 0.00 C ATOM 1731 C GLY A 110 1.231 -11.434 7.575 1.00 0.00 C ATOM 1732 O GLY A 110 2.114 -11.501 8.428 1.00 0.00 O ATOM 0 H GLY A 110 -0.905 -12.142 5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.093 -13.238 7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.615 -13.319 6.649 1.00 0.00 H new ATOM 1736 N LEU A 111 0.628 -10.276 7.224 1.00 0.00 N ATOM 1737 CA LEU A 111 0.978 -9.015 7.819 1.00 0.00 C ATOM 1738 C LEU A 111 -0.328 -8.349 8.089 1.00 0.00 C ATOM 1739 O LEU A 111 -1.156 -8.367 7.187 1.00 0.00 O ATOM 1740 CB LEU A 111 1.677 -8.062 6.838 1.00 0.00 C ATOM 1741 CG LEU A 111 3.155 -7.747 7.128 1.00 0.00 C ATOM 1742 CD1 LEU A 111 4.059 -8.924 7.452 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.806 -6.990 5.968 1.00 0.00 C ATOM 0 H LEU A 111 -0.109 -10.214 6.521 1.00 0.00 H new ATOM 0 HA LEU A 111 1.629 -9.201 8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.609 -8.490 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.124 -7.123 6.821 1.00 0.00 H new ATOM 0 HG LEU A 111 3.081 -7.147 8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.072 -8.565 7.635 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.688 -9.434 8.341 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.067 -9.619 6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.849 -6.784 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.754 -7.596 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 111 3.279 -6.050 5.806 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.608 -7.755 9.225 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.807 -6.987 9.401 1.00 0.00 C ATOM 1757 C PRO A 112 -1.604 -5.706 8.652 1.00 0.00 C ATOM 1758 O PRO A 112 -0.763 -4.906 9.041 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.928 -6.782 10.902 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.530 -7.040 11.457 1.00 0.00 C ATOM 1761 CD PRO A 112 0.082 -8.021 10.468 1.00 0.00 C ATOM 0 HA PRO A 112 -2.719 -7.452 9.028 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.264 -5.772 11.135 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.656 -7.468 11.335 1.00 0.00 H new ATOM 0 HG2 PRO A 112 0.051 -6.120 11.519 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.571 -7.459 12.462 1.00 0.00 H new ATOM 0 HD2 PRO A 112 1.156 -7.866 10.367 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.062 -9.052 10.790 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.375 -5.490 7.570 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.183 -4.353 6.718 1.00 0.00 C ATOM 1771 C VAL A 113 -3.183 -3.300 7.069 1.00 0.00 C ATOM 1772 O VAL A 113 -3.136 -2.198 6.524 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.308 -4.672 5.240 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.070 -5.488 4.819 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -3.628 -5.410 4.932 1.00 0.00 C ATOM 0 H VAL A 113 -3.136 -6.106 7.283 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.162 -4.009 6.885 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.343 -3.750 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.137 -5.730 3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.169 -4.902 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.027 -6.410 5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.685 -5.623 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.661 -6.345 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.471 -4.784 5.223 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.137 -3.627 7.964 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.265 -2.765 8.156 1.00 0.00 C ATOM 1787 C HIS A 114 -5.738 -3.052 9.539 1.00 0.00 C ATOM 1788 O HIS A 114 -5.195 -3.936 10.200 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.359 -3.050 7.104 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.685 -2.379 7.312 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -7.902 -1.058 7.029 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -8.842 -2.877 7.811 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -9.156 -0.764 7.345 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -9.749 -1.852 7.822 1.00 0.00 N ATOM 0 H HIS A 114 -4.130 -4.468 8.542 1.00 0.00 H new ATOM 0 HA HIS A 114 -5.009 -1.713 8.034 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -5.977 -2.754 6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.524 -4.127 7.068 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.016 -3.891 8.138 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -9.620 0.205 7.232 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.716 -1.913 8.142 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.741 -2.284 10.012 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.270 -2.398 11.335 1.00 0.00 C ATOM 1805 C LEU A 115 -8.542 -1.633 11.293 1.00 0.00 C ATOM 1806 O LEU A 115 -8.594 -0.504 10.806 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.257 -1.835 12.349 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.601 -1.442 13.808 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.939 0.049 13.868 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -7.472 -2.436 14.588 1.00 0.00 C ATOM 0 H LEU A 115 -7.196 -1.562 9.454 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.453 -3.425 11.651 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.456 -2.571 12.416 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.833 -0.943 11.888 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.711 -1.557 14.427 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.181 0.326 14.894 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.082 0.630 13.528 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.795 0.254 13.225 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.647 -2.055 15.594 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.427 -2.562 14.077 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.962 -3.398 14.647 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.600 -2.278 11.814 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.910 -1.712 11.884 1.00 0.00 C ATOM 1824 C ASP A 116 -10.966 -0.785 13.060 1.00 0.00 C ATOM 1825 O ASP A 116 -10.426 -1.069 14.127 1.00 0.00 O ATOM 1826 CB ASP A 116 -11.991 -2.790 12.078 1.00 0.00 C ATOM 1827 CG ASP A 116 -13.137 -2.528 11.111 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -13.775 -1.446 11.207 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.389 -3.418 10.255 1.00 0.00 O ATOM 0 H ASP A 116 -9.542 -3.221 12.198 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.103 -1.192 10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.570 -3.780 11.902 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.355 -2.776 13.105 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.672 0.349 12.881 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.896 1.314 13.920 1.00 0.00 C ATOM 1836 C GLN A 117 -13.325 1.107 14.367 1.00 0.00 C ATOM 1837 O GLN A 117 -14.069 2.073 14.530 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.853 2.770 13.390 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.534 3.210 12.730 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.399 3.280 13.751 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.282 2.823 13.483 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.697 3.878 14.941 1.00 0.00 N ATOM 0 H GLN A 117 -12.099 0.603 11.990 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.135 1.184 14.689 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.658 2.896 12.666 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.063 3.444 14.220 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.270 2.510 11.937 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.666 4.186 12.263 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.636 4.238 15.110 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.980 3.965 15.662 1.00 0.00 H new ATOM 1851 N SER A 118 -13.756 -0.164 14.552 1.00 0.00 N ATOM 1852 CA SER A 118 -15.120 -0.493 14.873 1.00 0.00 C ATOM 1853 C SER A 118 -15.188 -0.616 16.354 1.00 0.00 C ATOM 1854 O SER A 118 -16.180 -0.259 16.988 1.00 0.00 O ATOM 1855 CB SER A 118 -15.565 -1.836 14.269 1.00 0.00 C ATOM 1856 OG SER A 118 -16.902 -2.130 14.643 1.00 0.00 O ATOM 0 H SER A 118 -13.145 -0.977 14.477 1.00 0.00 H new ATOM 0 HA SER A 118 -15.772 0.281 14.469 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.485 -1.797 13.183 1.00 0.00 H new ATOM 0 HB3 SER A 118 -14.902 -2.632 14.609 1.00 0.00 H new ATOM 0 HG SER A 118 -17.171 -2.986 14.250 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.073 -1.121 16.919 1.00 0.00 N ATOM 1863 CA ILE A 119 -13.821 -1.189 18.325 1.00 0.00 C ATOM 1864 C ILE A 119 -13.518 0.164 18.838 1.00 0.00 C ATOM 1865 O ILE A 119 -13.825 0.501 19.981 1.00 0.00 O ATOM 1866 CB ILE A 119 -12.602 -2.004 18.699 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -11.504 -2.134 17.606 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.113 -3.326 19.254 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -11.713 -3.216 16.542 1.00 0.00 C ATOM 0 H ILE A 119 -13.308 -1.502 16.363 1.00 0.00 H new ATOM 0 HA ILE A 119 -14.718 -1.645 18.743 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.037 -1.466 19.460 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.413 -1.173 17.100 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -10.552 -2.324 18.102 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -12.267 -3.952 19.539 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -13.736 -3.137 20.128 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -13.702 -3.837 18.492 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -10.879 -3.202 15.841 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -11.767 -4.193 17.022 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -12.642 -3.024 16.005 1.00 0.00 H new ATOM 1881 N PHE A 120 -12.858 0.956 17.976 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.274 2.202 18.330 1.00 0.00 C ATOM 1883 C PHE A 120 -13.120 3.271 17.745 1.00 0.00 C ATOM 1884 O PHE A 120 -12.633 4.341 17.393 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.875 2.326 17.727 1.00 0.00 C ATOM 1886 CG PHE A 120 -9.993 1.171 18.103 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.066 0.535 19.336 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.044 0.727 17.196 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.178 -0.461 19.679 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.160 -0.260 17.545 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.209 -0.853 18.786 1.00 0.00 C ATOM 0 H PHE A 120 -12.728 0.715 16.994 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.205 2.281 19.415 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -10.953 2.384 16.641 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.417 3.256 18.064 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.833 0.827 20.038 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.001 1.162 16.208 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.243 -0.933 20.648 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.412 -0.578 16.834 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.495 -1.617 19.055 1.00 0.00 H new