USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 679 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 3 LYS NZ :NH3+ -134:sc= 0.686 (180deg=-0.684!) USER MOD Set 1.2: A 41 HIS : no HE2:sc= -0.864 K(o=-0.18,f=-2.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.862 K(o=0.86,f=-0.036) USER MOD Single : A -1 SER OG : rot -130:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc=0.000992 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0228 X(o=-0.023,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 40:sc= -0.0264 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.11) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00461 USER MOD Single : A 54 ASN : amide:sc= 0.255 X(o=0.25,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0.256 K(o=0.26,f=-4.6!) USER MOD Single : A 57 HIS : no HD1:sc= -0.229 X(o=-0.23,f=-0.011) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0.0361 X(o=0.036,f=-0.34) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 70 SER OG : rot 180:sc= -0.066 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.652 K(o=-0.65,f=-5.3!) USER MOD Single : A 73 LYS NZ :NH3+ 132:sc= -0.296 (180deg=-1.45!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= -0.0787 (180deg=-0.395) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -2.276 37.357 0.686 1.00 0.00 N ATOM 2 CA GLY A -6 -1.710 36.595 -0.412 1.00 0.00 C ATOM 3 C GLY A -6 -1.998 35.111 -0.297 1.00 0.00 C ATOM 4 O GLY A -6 -2.858 34.582 -1.001 1.00 0.00 O ATOM 0 H1 GLY A -6 -2.052 38.365 0.561 1.00 0.00 H new ATOM 0 H2 GLY A -6 -3.308 37.231 0.700 1.00 0.00 H new ATOM 0 H3 GLY A -6 -1.874 37.022 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -2.112 36.968 -1.354 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -0.632 36.752 -0.441 1.00 0.00 H new ATOM 8 N SER A -5 -1.276 34.437 0.593 1.00 0.00 N ATOM 9 CA SER A -5 -1.455 33.003 0.794 1.00 0.00 C ATOM 10 C SER A -5 -1.068 32.601 2.214 1.00 0.00 C ATOM 11 O SER A -5 -0.354 33.329 2.904 1.00 0.00 O ATOM 12 CB SER A -5 -0.618 32.217 -0.217 1.00 0.00 C ATOM 13 OG SER A -5 -0.967 30.843 -0.209 1.00 0.00 O ATOM 0 H SER A -5 -0.562 34.860 1.186 1.00 0.00 H new ATOM 0 HA SER A -5 -2.509 32.768 0.643 1.00 0.00 H new ATOM 0 HB2 SER A -5 -0.768 32.628 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A -5 0.441 32.328 0.018 1.00 0.00 H new ATOM 0 HG SER A -5 -0.419 30.363 -0.865 1.00 0.00 H new ATOM 19 N SER A -4 -1.546 31.438 2.644 1.00 0.00 N ATOM 20 CA SER A -4 -1.254 30.939 3.982 1.00 0.00 C ATOM 21 C SER A -4 -0.066 29.982 3.959 1.00 0.00 C ATOM 22 O SER A -4 1.029 30.322 4.403 1.00 0.00 O ATOM 23 CB SER A -4 -2.480 30.235 4.566 1.00 0.00 C ATOM 24 OG SER A -4 -3.464 31.172 4.968 1.00 0.00 O ATOM 0 H SER A -4 -2.138 30.823 2.085 1.00 0.00 H new ATOM 0 HA SER A -4 -0.999 31.791 4.612 1.00 0.00 H new ATOM 0 HB2 SER A -4 -2.901 29.557 3.824 1.00 0.00 H new ATOM 0 HB3 SER A -4 -2.182 29.627 5.420 1.00 0.00 H new ATOM 0 HG SER A -4 -4.238 30.696 5.336 1.00 0.00 H new ATOM 30 N GLY A -3 -0.293 28.780 3.436 1.00 0.00 N ATOM 31 CA GLY A -3 0.766 27.791 3.363 1.00 0.00 C ATOM 32 C GLY A -3 0.334 26.439 3.896 1.00 0.00 C ATOM 33 O GLY A -3 0.336 25.448 3.166 1.00 0.00 O ATOM 0 H GLY A -3 -1.191 28.474 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A -3 1.088 27.684 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A -3 1.628 28.143 3.930 1.00 0.00 H new ATOM 37 N SER A -2 -0.036 26.398 5.172 1.00 0.00 N ATOM 38 CA SER A -2 -0.467 25.156 5.803 1.00 0.00 C ATOM 39 C SER A -2 -1.622 24.526 5.030 1.00 0.00 C ATOM 40 O SER A -2 -1.887 23.330 5.153 1.00 0.00 O ATOM 41 CB SER A -2 -0.889 25.415 7.251 1.00 0.00 C ATOM 42 OG SER A -2 -1.698 26.574 7.347 1.00 0.00 O ATOM 0 H SER A -2 -0.046 27.210 5.789 1.00 0.00 H new ATOM 0 HA SER A -2 0.374 24.462 5.795 1.00 0.00 H new ATOM 0 HB2 SER A -2 -1.436 24.553 7.633 1.00 0.00 H new ATOM 0 HB3 SER A -2 -0.004 25.533 7.876 1.00 0.00 H new ATOM 0 HG SER A -2 -1.956 26.717 8.282 1.00 0.00 H new ATOM 48 N SER A -1 -2.306 25.341 4.233 1.00 0.00 N ATOM 49 CA SER A -1 -3.435 24.865 3.442 1.00 0.00 C ATOM 50 C SER A -1 -2.999 24.531 2.018 1.00 0.00 C ATOM 51 O SER A -1 -2.375 25.346 1.340 1.00 0.00 O ATOM 52 CB SER A -1 -4.544 25.919 3.413 1.00 0.00 C ATOM 53 OG SER A -1 -5.749 25.377 2.901 1.00 0.00 O ATOM 0 H SER A -1 -2.098 26.333 4.118 1.00 0.00 H new ATOM 0 HA SER A -1 -3.817 23.957 3.909 1.00 0.00 H new ATOM 0 HB2 SER A -1 -4.713 26.302 4.420 1.00 0.00 H new ATOM 0 HB3 SER A -1 -4.231 26.764 2.799 1.00 0.00 H new ATOM 0 HG SER A -1 -6.100 25.965 2.200 1.00 0.00 H new ATOM 59 N GLY A 0 -3.333 23.324 1.572 1.00 0.00 N ATOM 60 CA GLY A 0 -2.968 22.901 0.233 1.00 0.00 C ATOM 61 C GLY A 0 -2.909 21.392 0.096 1.00 0.00 C ATOM 62 O GLY A 0 -3.840 20.773 -0.417 1.00 0.00 O ATOM 0 H GLY A 0 -3.850 22.632 2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -3.690 23.299 -0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -1.998 23.324 -0.026 1.00 0.00 H new ATOM 66 N MET A 1 -1.812 20.800 0.556 1.00 0.00 N ATOM 67 CA MET A 1 -1.636 19.354 0.482 1.00 0.00 C ATOM 68 C MET A 1 -2.294 18.665 1.674 1.00 0.00 C ATOM 69 O MET A 1 -2.701 19.319 2.635 1.00 0.00 O ATOM 70 CB MET A 1 -0.149 19.002 0.432 1.00 0.00 C ATOM 71 CG MET A 1 0.583 19.265 1.738 1.00 0.00 C ATOM 72 SD MET A 1 1.193 20.957 1.864 1.00 0.00 S ATOM 73 CE MET A 1 2.560 20.740 3.001 1.00 0.00 C ATOM 0 H MET A 1 -1.032 21.299 0.984 1.00 0.00 H new ATOM 0 HA MET A 1 -2.116 19.000 -0.430 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.042 17.949 0.171 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.325 19.577 -0.363 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.087 19.062 2.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.421 18.573 1.826 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.041 21.702 3.180 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.189 20.339 3.944 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.284 20.047 2.572 1.00 0.00 H new ATOM 83 N VAL A 2 -2.394 17.342 1.605 1.00 0.00 N ATOM 84 CA VAL A 2 -3.002 16.564 2.678 1.00 0.00 C ATOM 85 C VAL A 2 -2.278 15.236 2.873 1.00 0.00 C ATOM 86 O VAL A 2 -1.792 14.635 1.914 1.00 0.00 O ATOM 87 CB VAL A 2 -4.491 16.288 2.398 1.00 0.00 C ATOM 88 CG1 VAL A 2 -5.144 15.617 3.597 1.00 0.00 C ATOM 89 CG2 VAL A 2 -5.213 17.578 2.040 1.00 0.00 C ATOM 0 H VAL A 2 -2.062 16.786 0.817 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.915 17.159 3.587 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.564 15.610 1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.196 15.430 3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.642 14.672 3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.063 16.268 4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.264 17.365 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.133 18.282 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.760 18.013 1.149 1.00 0.00 H new ATOM 99 N LYS A 3 -2.209 14.783 4.120 1.00 0.00 N ATOM 100 CA LYS A 3 -1.546 13.525 4.442 1.00 0.00 C ATOM 101 C LYS A 3 -2.558 12.388 4.543 1.00 0.00 C ATOM 102 O LYS A 3 -3.739 12.615 4.808 1.00 0.00 O ATOM 103 CB LYS A 3 -0.774 13.654 5.757 1.00 0.00 C ATOM 104 CG LYS A 3 -0.159 12.349 6.231 1.00 0.00 C ATOM 105 CD LYS A 3 0.466 12.495 7.608 1.00 0.00 C ATOM 106 CE LYS A 3 0.917 11.152 8.161 1.00 0.00 C ATOM 107 NZ LYS A 3 2.131 10.644 7.464 1.00 0.00 N ATOM 0 H LYS A 3 -2.605 15.269 4.925 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.846 13.295 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.016 14.395 5.634 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.446 14.030 6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.925 11.574 6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.599 12.023 5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.319 13.171 7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -0.255 12.947 8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.124 11.249 9.227 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.109 10.427 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.000 9.640 7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.284 11.189 6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.958 10.747 8.087 1.00 0.00 H new ATOM 121 N LEU A 4 -2.087 11.163 4.334 1.00 0.00 N ATOM 122 CA LEU A 4 -2.950 9.989 4.403 1.00 0.00 C ATOM 123 C LEU A 4 -2.254 8.844 5.131 1.00 0.00 C ATOM 124 O LEU A 4 -1.061 8.606 4.939 1.00 0.00 O ATOM 125 CB LEU A 4 -3.354 9.545 2.996 1.00 0.00 C ATOM 126 CG LEU A 4 -3.804 10.654 2.045 1.00 0.00 C ATOM 127 CD1 LEU A 4 -4.136 10.081 0.676 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.003 11.395 2.620 1.00 0.00 C ATOM 0 H LEU A 4 -1.112 10.957 4.115 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.846 10.259 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.508 9.027 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.162 8.819 3.084 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.984 11.363 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.454 10.885 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.253 9.596 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.939 9.351 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.310 12.181 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.827 10.697 2.764 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.731 11.839 3.578 1.00 0.00 H new ATOM 140 N PHE A 5 -3.007 8.135 5.965 1.00 0.00 N ATOM 141 CA PHE A 5 -2.463 7.013 6.721 1.00 0.00 C ATOM 142 C PHE A 5 -3.027 5.690 6.212 1.00 0.00 C ATOM 143 O PHE A 5 -4.239 5.539 6.055 1.00 0.00 O ATOM 144 CB PHE A 5 -2.775 7.174 8.210 1.00 0.00 C ATOM 145 CG PHE A 5 -2.695 5.888 8.982 1.00 0.00 C ATOM 146 CD1 PHE A 5 -1.469 5.297 9.244 1.00 0.00 C ATOM 147 CD2 PHE A 5 -3.845 5.270 9.445 1.00 0.00 C ATOM 148 CE1 PHE A 5 -1.392 4.114 9.955 1.00 0.00 C ATOM 149 CE2 PHE A 5 -3.774 4.087 10.156 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.546 3.508 10.410 1.00 0.00 C ATOM 0 H PHE A 5 -3.996 8.318 6.135 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.382 7.004 6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.079 7.892 8.643 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -3.775 7.593 8.320 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.563 5.766 8.889 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.808 5.718 9.248 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.430 3.664 10.154 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.678 3.616 10.513 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.489 2.583 10.964 1.00 0.00 H new ATOM 160 N ILE A 6 -2.139 4.735 5.956 1.00 0.00 N ATOM 161 CA ILE A 6 -2.548 3.424 5.465 1.00 0.00 C ATOM 162 C ILE A 6 -1.973 2.309 6.332 1.00 0.00 C ATOM 163 O ILE A 6 -0.867 2.424 6.857 1.00 0.00 O ATOM 164 CB ILE A 6 -2.105 3.206 4.006 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.607 4.348 3.121 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.614 1.867 3.493 1.00 0.00 C ATOM 167 CD1 ILE A 6 -2.065 4.302 1.710 1.00 0.00 C ATOM 0 H ILE A 6 -1.132 4.844 6.080 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.637 3.394 5.513 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.016 3.197 3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.696 4.317 3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.331 5.299 3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.293 1.727 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.211 1.064 4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.703 1.849 3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.463 5.141 1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.977 4.364 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.364 3.367 1.236 1.00 0.00 H new ATOM 179 N GLY A 7 -2.733 1.228 6.476 1.00 0.00 N ATOM 180 CA GLY A 7 -2.282 0.106 7.278 1.00 0.00 C ATOM 181 C GLY A 7 -2.581 -1.230 6.627 1.00 0.00 C ATOM 182 O GLY A 7 -3.043 -1.283 5.488 1.00 0.00 O ATOM 0 H GLY A 7 -3.653 1.109 6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.209 0.192 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.762 0.146 8.256 1.00 0.00 H new ATOM 186 N ASN A 8 -2.316 -2.312 7.352 1.00 0.00 N ATOM 187 CA ASN A 8 -2.558 -3.655 6.836 1.00 0.00 C ATOM 188 C ASN A 8 -2.007 -3.802 5.421 1.00 0.00 C ATOM 189 O ASN A 8 -2.695 -4.287 4.522 1.00 0.00 O ATOM 190 CB ASN A 8 -4.056 -3.966 6.847 1.00 0.00 C ATOM 191 CG ASN A 8 -4.337 -5.449 6.995 1.00 0.00 C ATOM 192 OD1 ASN A 8 -4.887 -5.890 8.004 1.00 0.00 O ATOM 193 ND2 ASN A 8 -3.959 -6.226 5.987 1.00 0.00 N ATOM 0 H ASN A 8 -1.934 -2.285 8.297 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.042 -4.364 7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.531 -3.425 7.666 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.506 -3.604 5.923 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.121 -7.232 6.030 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.506 -5.817 5.170 1.00 0.00 H new ATOM 200 N LEU A 9 -0.762 -3.380 5.230 1.00 0.00 N ATOM 201 CA LEU A 9 -0.117 -3.465 3.924 1.00 0.00 C ATOM 202 C LEU A 9 0.592 -4.805 3.753 1.00 0.00 C ATOM 203 O LEU A 9 1.212 -5.330 4.678 1.00 0.00 O ATOM 204 CB LEU A 9 0.883 -2.320 3.752 1.00 0.00 C ATOM 205 CG LEU A 9 0.288 -0.913 3.691 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.387 0.125 3.530 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.719 -0.808 2.555 1.00 0.00 C ATOM 0 H LEU A 9 -0.179 -2.976 5.963 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.889 -3.383 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.593 -2.357 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.449 -2.493 2.837 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.232 -0.718 4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.944 1.120 3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.070 0.067 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.936 -0.067 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.132 0.200 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.223 -1.024 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.524 -1.525 2.715 1.00 0.00 H new ATOM 219 N PRO A 10 0.502 -5.371 2.541 1.00 0.00 N ATOM 220 CA PRO A 10 1.131 -6.656 2.219 1.00 0.00 C ATOM 221 C PRO A 10 2.624 -6.517 1.941 1.00 0.00 C ATOM 222 O PRO A 10 3.151 -5.406 1.868 1.00 0.00 O ATOM 223 CB PRO A 10 0.392 -7.106 0.956 1.00 0.00 C ATOM 224 CG PRO A 10 -0.049 -5.841 0.304 1.00 0.00 C ATOM 225 CD PRO A 10 -0.220 -4.802 1.391 1.00 0.00 C ATOM 0 HA PRO A 10 1.060 -7.363 3.046 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.044 -7.683 0.300 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.458 -7.743 1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.687 -5.511 -0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.986 -5.993 -0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.197 -3.840 1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.272 -4.635 1.622 1.00 0.00 H new ATOM 233 N ARG A 11 3.301 -7.650 1.787 1.00 0.00 N ATOM 234 CA ARG A 11 4.734 -7.653 1.518 1.00 0.00 C ATOM 235 C ARG A 11 5.014 -7.305 0.059 1.00 0.00 C ATOM 236 O ARG A 11 6.092 -6.814 -0.275 1.00 0.00 O ATOM 237 CB ARG A 11 5.333 -9.021 1.851 1.00 0.00 C ATOM 238 CG ARG A 11 4.713 -10.165 1.066 1.00 0.00 C ATOM 239 CD ARG A 11 5.499 -11.455 1.246 1.00 0.00 C ATOM 240 NE ARG A 11 5.015 -12.517 0.368 1.00 0.00 N ATOM 241 CZ ARG A 11 5.364 -13.792 0.497 1.00 0.00 C ATOM 242 NH1 ARG A 11 6.194 -14.162 1.463 1.00 0.00 N ATOM 243 NH2 ARG A 11 4.882 -14.701 -0.341 1.00 0.00 N ATOM 0 H ARG A 11 2.880 -8.578 1.844 1.00 0.00 H new ATOM 0 HA ARG A 11 5.199 -6.896 2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.405 -8.996 1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.208 -9.213 2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.684 -10.316 1.392 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.677 -9.904 0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.553 -11.269 1.042 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.428 -11.781 2.284 1.00 0.00 H new ATOM 0 HE ARG A 11 4.374 -12.266 -0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.566 -13.467 2.110 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.460 -15.142 1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.243 -14.421 -1.085 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.151 -15.680 -0.241 1.00 0.00 H new ATOM 257 N GLU A 12 4.036 -7.562 -0.804 1.00 0.00 N ATOM 258 CA GLU A 12 4.179 -7.276 -2.226 1.00 0.00 C ATOM 259 C GLU A 12 4.044 -5.781 -2.497 1.00 0.00 C ATOM 260 O GLU A 12 4.687 -5.241 -3.398 1.00 0.00 O ATOM 261 CB GLU A 12 3.132 -8.048 -3.032 1.00 0.00 C ATOM 262 CG GLU A 12 3.197 -9.553 -2.830 1.00 0.00 C ATOM 263 CD GLU A 12 4.432 -10.173 -3.454 1.00 0.00 C ATOM 264 OE1 GLU A 12 5.518 -10.076 -2.846 1.00 0.00 O ATOM 265 OE2 GLU A 12 4.311 -10.756 -4.552 1.00 0.00 O ATOM 0 H GLU A 12 3.137 -7.967 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 12 5.174 -7.595 -2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.139 -7.695 -2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.264 -7.826 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.184 -9.773 -1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.307 -10.012 -3.261 1.00 0.00 H new ATOM 272 N ALA A 13 3.202 -5.117 -1.712 1.00 0.00 N ATOM 273 CA ALA A 13 2.983 -3.684 -1.865 1.00 0.00 C ATOM 274 C ALA A 13 4.306 -2.937 -1.997 1.00 0.00 C ATOM 275 O ALA A 13 5.254 -3.197 -1.256 1.00 0.00 O ATOM 276 CB ALA A 13 2.184 -3.143 -0.688 1.00 0.00 C ATOM 0 H ALA A 13 2.660 -5.549 -0.963 1.00 0.00 H new ATOM 0 HA ALA A 13 2.413 -3.525 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.028 -2.072 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.219 -3.647 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.732 -3.322 0.237 1.00 0.00 H new ATOM 282 N THR A 14 4.363 -2.008 -2.946 1.00 0.00 N ATOM 283 CA THR A 14 5.571 -1.225 -3.177 1.00 0.00 C ATOM 284 C THR A 14 5.255 0.265 -3.243 1.00 0.00 C ATOM 285 O THR A 14 4.182 0.661 -3.697 1.00 0.00 O ATOM 286 CB THR A 14 6.274 -1.648 -4.480 1.00 0.00 C ATOM 287 OG1 THR A 14 5.315 -1.777 -5.535 1.00 0.00 O ATOM 288 CG2 THR A 14 7.012 -2.965 -4.294 1.00 0.00 C ATOM 0 H THR A 14 3.587 -1.779 -3.567 1.00 0.00 H new ATOM 0 HA THR A 14 6.237 -1.416 -2.336 1.00 0.00 H new ATOM 0 HB THR A 14 6.999 -0.878 -4.742 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.771 -2.045 -6.360 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.501 -3.243 -5.228 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.762 -2.854 -3.511 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.303 -3.742 -4.010 1.00 0.00 H new ATOM 296 N GLU A 15 6.197 1.086 -2.789 1.00 0.00 N ATOM 297 CA GLU A 15 6.017 2.533 -2.797 1.00 0.00 C ATOM 298 C GLU A 15 5.417 2.999 -4.121 1.00 0.00 C ATOM 299 O GLU A 15 4.482 3.799 -4.142 1.00 0.00 O ATOM 300 CB GLU A 15 7.354 3.236 -2.556 1.00 0.00 C ATOM 301 CG GLU A 15 7.793 3.228 -1.101 1.00 0.00 C ATOM 302 CD GLU A 15 8.863 4.261 -0.808 1.00 0.00 C ATOM 303 OE1 GLU A 15 9.410 4.837 -1.772 1.00 0.00 O ATOM 304 OE2 GLU A 15 9.154 4.494 0.384 1.00 0.00 O ATOM 0 H GLU A 15 7.092 0.774 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 15 5.328 2.792 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.122 2.754 -3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.279 4.268 -2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.929 3.415 -0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.170 2.238 -0.845 1.00 0.00 H new ATOM 311 N GLN A 16 5.962 2.492 -5.222 1.00 0.00 N ATOM 312 CA GLN A 16 5.481 2.857 -6.549 1.00 0.00 C ATOM 313 C GLN A 16 4.015 2.472 -6.722 1.00 0.00 C ATOM 314 O GLN A 16 3.236 3.212 -7.322 1.00 0.00 O ATOM 315 CB GLN A 16 6.329 2.179 -7.626 1.00 0.00 C ATOM 316 CG GLN A 16 7.639 2.896 -7.910 1.00 0.00 C ATOM 317 CD GLN A 16 8.677 1.987 -8.539 1.00 0.00 C ATOM 318 OE1 GLN A 16 8.384 1.249 -9.480 1.00 0.00 O ATOM 319 NE2 GLN A 16 9.899 2.037 -8.023 1.00 0.00 N ATOM 0 H GLN A 16 6.736 1.828 -5.221 1.00 0.00 H new ATOM 0 HA GLN A 16 5.568 3.938 -6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.544 1.156 -7.317 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.750 2.119 -8.548 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.451 3.740 -8.574 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.035 3.304 -6.980 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.098 2.663 -7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.639 1.449 -8.407 1.00 0.00 H new ATOM 328 N GLU A 17 3.647 1.309 -6.193 1.00 0.00 N ATOM 329 CA GLU A 17 2.275 0.826 -6.291 1.00 0.00 C ATOM 330 C GLU A 17 1.321 1.741 -5.529 1.00 0.00 C ATOM 331 O GLU A 17 0.446 2.374 -6.121 1.00 0.00 O ATOM 332 CB GLU A 17 2.173 -0.601 -5.747 1.00 0.00 C ATOM 333 CG GLU A 17 2.420 -1.671 -6.798 1.00 0.00 C ATOM 334 CD GLU A 17 1.835 -3.015 -6.410 1.00 0.00 C ATOM 335 OE1 GLU A 17 2.485 -3.742 -5.630 1.00 0.00 O ATOM 336 OE2 GLU A 17 0.726 -3.338 -6.885 1.00 0.00 O ATOM 0 H GLU A 17 4.280 0.685 -5.693 1.00 0.00 H new ATOM 0 HA GLU A 17 1.991 0.828 -7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.893 -0.725 -4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.182 -0.747 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.988 -1.351 -7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.493 -1.778 -6.957 1.00 0.00 H new ATOM 343 N ILE A 18 1.496 1.806 -4.213 1.00 0.00 N ATOM 344 CA ILE A 18 0.651 2.643 -3.371 1.00 0.00 C ATOM 345 C ILE A 18 0.534 4.054 -3.939 1.00 0.00 C ATOM 346 O ILE A 18 -0.566 4.589 -4.078 1.00 0.00 O ATOM 347 CB ILE A 18 1.196 2.725 -1.932 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.215 1.336 -1.291 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.357 3.686 -1.102 1.00 0.00 C ATOM 350 CD1 ILE A 18 -0.135 0.654 -1.287 1.00 0.00 C ATOM 0 H ILE A 18 2.215 1.289 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.335 2.178 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 18 2.218 3.103 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.929 0.708 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.572 1.423 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.754 3.733 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.390 4.679 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.675 3.335 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.046 -0.326 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.848 1.261 -0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.485 0.535 -2.312 1.00 0.00 H new ATOM 362 N ARG A 19 1.676 4.650 -4.267 1.00 0.00 N ATOM 363 CA ARG A 19 1.701 5.998 -4.821 1.00 0.00 C ATOM 364 C ARG A 19 0.793 6.101 -6.043 1.00 0.00 C ATOM 365 O ARG A 19 -0.170 6.868 -6.049 1.00 0.00 O ATOM 366 CB ARG A 19 3.131 6.389 -5.201 1.00 0.00 C ATOM 367 CG ARG A 19 3.246 7.792 -5.776 1.00 0.00 C ATOM 368 CD ARG A 19 4.594 8.010 -6.445 1.00 0.00 C ATOM 369 NE ARG A 19 4.929 9.428 -6.551 1.00 0.00 N ATOM 370 CZ ARG A 19 6.170 9.881 -6.694 1.00 0.00 C ATOM 371 NH1 ARG A 19 7.187 9.032 -6.749 1.00 0.00 N ATOM 372 NH2 ARG A 19 6.395 11.186 -6.783 1.00 0.00 N ATOM 0 H ARG A 19 2.595 4.221 -4.159 1.00 0.00 H new ATOM 0 HA ARG A 19 1.334 6.684 -4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.766 6.314 -4.318 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.513 5.674 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.448 7.956 -6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.110 8.525 -4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.369 7.496 -5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.581 7.565 -7.440 1.00 0.00 H new ATOM 0 HE ARG A 19 4.169 10.107 -6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.018 8.028 -6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.139 9.382 -6.859 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.615 11.842 -6.742 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.348 11.533 -6.893 1.00 0.00 H new ATOM 386 N SER A 20 1.106 5.325 -7.075 1.00 0.00 N ATOM 387 CA SER A 20 0.321 5.332 -8.303 1.00 0.00 C ATOM 388 C SER A 20 -1.173 5.359 -7.993 1.00 0.00 C ATOM 389 O SER A 20 -1.906 6.218 -8.486 1.00 0.00 O ATOM 390 CB SER A 20 0.655 4.105 -9.154 1.00 0.00 C ATOM 391 OG SER A 20 -0.048 4.131 -10.384 1.00 0.00 O ATOM 0 H SER A 20 1.898 4.683 -7.085 1.00 0.00 H new ATOM 0 HA SER A 20 0.575 6.233 -8.862 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.728 4.072 -9.345 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.401 3.198 -8.605 1.00 0.00 H new ATOM 0 HG SER A 20 0.184 3.337 -10.910 1.00 0.00 H new ATOM 397 N LEU A 21 -1.617 4.413 -7.174 1.00 0.00 N ATOM 398 CA LEU A 21 -3.024 4.326 -6.796 1.00 0.00 C ATOM 399 C LEU A 21 -3.589 5.708 -6.481 1.00 0.00 C ATOM 400 O LEU A 21 -4.733 6.014 -6.818 1.00 0.00 O ATOM 401 CB LEU A 21 -3.192 3.406 -5.586 1.00 0.00 C ATOM 402 CG LEU A 21 -3.187 1.905 -5.879 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.076 1.109 -4.588 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.438 1.507 -6.647 1.00 0.00 C ATOM 0 H LEU A 21 -1.024 3.695 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.576 3.911 -7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.392 3.620 -4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.131 3.656 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.318 1.678 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.074 0.043 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.150 1.372 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.924 1.340 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.417 0.436 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.321 1.749 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.474 2.051 -7.591 1.00 0.00 H new ATOM 416 N PHE A 22 -2.778 6.539 -5.834 1.00 0.00 N ATOM 417 CA PHE A 22 -3.197 7.889 -5.475 1.00 0.00 C ATOM 418 C PHE A 22 -2.996 8.850 -6.643 1.00 0.00 C ATOM 419 O PHE A 22 -3.728 9.828 -6.788 1.00 0.00 O ATOM 420 CB PHE A 22 -2.415 8.380 -4.255 1.00 0.00 C ATOM 421 CG PHE A 22 -2.836 7.726 -2.970 1.00 0.00 C ATOM 422 CD1 PHE A 22 -3.992 8.127 -2.320 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.076 6.711 -2.412 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.382 7.527 -1.137 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.460 6.108 -1.229 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.615 6.516 -0.592 1.00 0.00 C ATOM 0 H PHE A 22 -1.828 6.302 -5.548 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.259 7.860 -5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.353 8.196 -4.416 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.541 9.459 -4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.595 8.917 -2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.173 6.387 -2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.285 7.848 -0.640 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.858 5.319 -0.804 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.918 6.045 0.331 1.00 0.00 H new ATOM 436 N GLU A 23 -1.997 8.564 -7.472 1.00 0.00 N ATOM 437 CA GLU A 23 -1.698 9.404 -8.626 1.00 0.00 C ATOM 438 C GLU A 23 -2.876 9.435 -9.595 1.00 0.00 C ATOM 439 O GLU A 23 -2.899 10.231 -10.534 1.00 0.00 O ATOM 440 CB GLU A 23 -0.446 8.896 -9.344 1.00 0.00 C ATOM 441 CG GLU A 23 0.845 9.197 -8.601 1.00 0.00 C ATOM 442 CD GLU A 23 2.077 8.784 -9.383 1.00 0.00 C ATOM 443 OE1 GLU A 23 2.176 7.596 -9.752 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.943 9.652 -9.625 1.00 0.00 O ATOM 0 H GLU A 23 -1.381 7.758 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.517 10.418 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.531 7.819 -9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.398 9.346 -10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.896 10.264 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.837 8.679 -7.642 1.00 0.00 H new ATOM 451 N GLN A 24 -3.851 8.562 -9.361 1.00 0.00 N ATOM 452 CA GLN A 24 -5.031 8.488 -10.214 1.00 0.00 C ATOM 453 C GLN A 24 -6.079 9.508 -9.782 1.00 0.00 C ATOM 454 O GLN A 24 -6.821 10.040 -10.609 1.00 0.00 O ATOM 455 CB GLN A 24 -5.627 7.080 -10.176 1.00 0.00 C ATOM 456 CG GLN A 24 -4.691 6.009 -10.713 1.00 0.00 C ATOM 457 CD GLN A 24 -5.333 4.636 -10.745 1.00 0.00 C ATOM 458 OE1 GLN A 24 -5.631 4.102 -11.813 1.00 0.00 O ATOM 459 NE2 GLN A 24 -5.549 4.056 -9.570 1.00 0.00 N ATOM 0 H GLN A 24 -3.847 7.896 -8.588 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.725 8.718 -11.235 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.894 6.835 -9.148 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.549 7.069 -10.756 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.373 6.281 -11.720 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.794 5.972 -10.095 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.286 4.535 -8.709 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.978 3.131 -9.529 1.00 0.00 H new ATOM 468 N TYR A 25 -6.136 9.777 -8.483 1.00 0.00 N ATOM 469 CA TYR A 25 -7.096 10.732 -7.941 1.00 0.00 C ATOM 470 C TYR A 25 -6.405 12.033 -7.544 1.00 0.00 C ATOM 471 O TYR A 25 -7.053 12.989 -7.121 1.00 0.00 O ATOM 472 CB TYR A 25 -7.814 10.133 -6.730 1.00 0.00 C ATOM 473 CG TYR A 25 -8.284 8.712 -6.947 1.00 0.00 C ATOM 474 CD1 TYR A 25 -9.470 8.447 -7.620 1.00 0.00 C ATOM 475 CD2 TYR A 25 -7.542 7.635 -6.478 1.00 0.00 C ATOM 476 CE1 TYR A 25 -9.904 7.150 -7.819 1.00 0.00 C ATOM 477 CE2 TYR A 25 -7.967 6.335 -6.674 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.149 6.098 -7.345 1.00 0.00 C ATOM 479 OH TYR A 25 -9.576 4.805 -7.541 1.00 0.00 O ATOM 0 H TYR A 25 -5.529 9.347 -7.785 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.829 10.953 -8.717 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.143 10.158 -5.871 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.673 10.757 -6.482 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.063 9.268 -7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.617 7.817 -5.951 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.829 6.961 -8.343 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.377 5.509 -6.304 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.929 4.183 -7.147 1.00 0.00 H new ATOM 489 N GLY A 26 -5.083 12.061 -7.685 1.00 0.00 N ATOM 490 CA GLY A 26 -4.325 13.248 -7.338 1.00 0.00 C ATOM 491 C GLY A 26 -2.837 12.978 -7.240 1.00 0.00 C ATOM 492 O GLY A 26 -2.420 11.871 -6.898 1.00 0.00 O ATOM 0 H GLY A 26 -4.524 11.282 -8.033 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.502 14.020 -8.087 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.684 13.639 -6.386 1.00 0.00 H new ATOM 496 N LYS A 27 -2.032 13.991 -7.542 1.00 0.00 N ATOM 497 CA LYS A 27 -0.581 13.859 -7.487 1.00 0.00 C ATOM 498 C LYS A 27 -0.114 13.569 -6.064 1.00 0.00 C ATOM 499 O LYS A 27 -0.715 14.036 -5.096 1.00 0.00 O ATOM 500 CB LYS A 27 0.088 15.134 -8.005 1.00 0.00 C ATOM 501 CG LYS A 27 1.507 14.918 -8.503 1.00 0.00 C ATOM 502 CD LYS A 27 2.039 16.147 -9.221 1.00 0.00 C ATOM 503 CE LYS A 27 2.548 17.190 -8.238 1.00 0.00 C ATOM 504 NZ LYS A 27 2.808 18.497 -8.902 1.00 0.00 N ATOM 0 H LYS A 27 -2.360 14.913 -7.828 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.293 13.021 -8.122 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.513 15.546 -8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.101 15.877 -7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.156 14.678 -7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.530 14.062 -9.178 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.845 15.856 -9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.250 16.580 -9.837 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.816 17.326 -7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.465 16.831 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.153 19.181 -8.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.525 18.372 -9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.927 18.852 -9.327 1.00 0.00 H new ATOM 518 N VAL A 28 0.962 12.798 -5.944 1.00 0.00 N ATOM 519 CA VAL A 28 1.510 12.448 -4.639 1.00 0.00 C ATOM 520 C VAL A 28 2.806 13.205 -4.367 1.00 0.00 C ATOM 521 O VAL A 28 3.640 13.369 -5.258 1.00 0.00 O ATOM 522 CB VAL A 28 1.780 10.936 -4.531 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.360 10.593 -3.167 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.504 10.148 -4.790 1.00 0.00 C ATOM 0 H VAL A 28 1.472 12.404 -6.735 1.00 0.00 H new ATOM 0 HA VAL A 28 0.764 12.730 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 28 2.512 10.660 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.544 9.520 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.298 11.130 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.654 10.882 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.713 9.081 -4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.251 10.426 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.135 10.371 -5.791 1.00 0.00 H new ATOM 534 N LEU A 29 2.968 13.664 -3.131 1.00 0.00 N ATOM 535 CA LEU A 29 4.163 14.403 -2.740 1.00 0.00 C ATOM 536 C LEU A 29 5.152 13.496 -2.015 1.00 0.00 C ATOM 537 O LEU A 29 6.347 13.509 -2.305 1.00 0.00 O ATOM 538 CB LEU A 29 3.785 15.585 -1.845 1.00 0.00 C ATOM 539 CG LEU A 29 2.602 16.431 -2.315 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.167 17.394 -1.221 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.959 17.190 -3.584 1.00 0.00 C ATOM 0 H LEU A 29 2.287 13.537 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 29 4.641 14.779 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.560 15.203 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.655 16.235 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 29 1.769 15.764 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.324 17.988 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.869 16.830 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.996 18.055 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.105 17.787 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.807 17.846 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.221 16.482 -4.370 1.00 0.00 H new ATOM 553 N GLU A 30 4.643 12.709 -1.072 1.00 0.00 N ATOM 554 CA GLU A 30 5.482 11.795 -0.306 1.00 0.00 C ATOM 555 C GLU A 30 4.823 10.424 -0.185 1.00 0.00 C ATOM 556 O GLU A 30 3.607 10.321 -0.018 1.00 0.00 O ATOM 557 CB GLU A 30 5.758 12.365 1.086 1.00 0.00 C ATOM 558 CG GLU A 30 6.472 11.394 2.011 1.00 0.00 C ATOM 559 CD GLU A 30 7.933 11.212 1.650 1.00 0.00 C ATOM 560 OE1 GLU A 30 8.612 12.229 1.393 1.00 0.00 O ATOM 561 OE2 GLU A 30 8.399 10.053 1.625 1.00 0.00 O ATOM 0 H GLU A 30 3.655 12.686 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 30 6.427 11.679 -0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.360 13.268 0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.813 12.660 1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.397 11.754 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.970 10.427 1.975 1.00 0.00 H new ATOM 568 N CYS A 31 5.634 9.375 -0.271 1.00 0.00 N ATOM 569 CA CYS A 31 5.130 8.010 -0.173 1.00 0.00 C ATOM 570 C CYS A 31 6.125 7.115 0.559 1.00 0.00 C ATOM 571 O CYS A 31 7.176 6.768 0.021 1.00 0.00 O ATOM 572 CB CYS A 31 4.848 7.446 -1.566 1.00 0.00 C ATOM 573 SG CYS A 31 6.275 7.473 -2.676 1.00 0.00 S ATOM 0 H CYS A 31 6.642 9.444 -0.408 1.00 0.00 H new ATOM 0 HA CYS A 31 4.201 8.032 0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.498 6.418 -1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.037 8.016 -2.020 1.00 0.00 H new ATOM 0 HG CYS A 31 7.347 7.155 -2.013 1.00 0.00 H new ATOM 579 N ASP A 32 5.786 6.746 1.790 1.00 0.00 N ATOM 580 CA ASP A 32 6.650 5.892 2.597 1.00 0.00 C ATOM 581 C ASP A 32 5.918 4.622 3.018 1.00 0.00 C ATOM 582 O ASP A 32 4.689 4.556 2.966 1.00 0.00 O ATOM 583 CB ASP A 32 7.139 6.647 3.833 1.00 0.00 C ATOM 584 CG ASP A 32 8.479 6.141 4.329 1.00 0.00 C ATOM 585 OD1 ASP A 32 9.473 6.269 3.584 1.00 0.00 O ATOM 586 OD2 ASP A 32 8.534 5.617 5.461 1.00 0.00 O ATOM 0 H ASP A 32 4.920 7.025 2.250 1.00 0.00 H new ATOM 0 HA ASP A 32 7.510 5.610 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.219 7.708 3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.401 6.551 4.629 1.00 0.00 H new ATOM 591 N ILE A 33 6.679 3.616 3.435 1.00 0.00 N ATOM 592 CA ILE A 33 6.103 2.349 3.865 1.00 0.00 C ATOM 593 C ILE A 33 6.951 1.699 4.953 1.00 0.00 C ATOM 594 O ILE A 33 8.018 1.151 4.678 1.00 0.00 O ATOM 595 CB ILE A 33 5.959 1.367 2.688 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.071 1.970 1.597 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.389 0.041 3.170 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.896 1.070 0.394 1.00 0.00 C ATOM 0 H ILE A 33 7.697 3.654 3.484 1.00 0.00 H new ATOM 0 HA ILE A 33 5.114 2.573 4.264 1.00 0.00 H new ATOM 0 HB ILE A 33 6.947 1.183 2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.091 2.193 2.019 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.501 2.917 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.293 -0.642 2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.057 -0.393 3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.408 0.207 3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.255 1.562 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.869 0.867 -0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.437 0.132 0.705 1.00 0.00 H new ATOM 610 N ILE A 34 6.469 1.765 6.190 1.00 0.00 N ATOM 611 CA ILE A 34 7.182 1.181 7.319 1.00 0.00 C ATOM 612 C ILE A 34 6.210 0.659 8.372 1.00 0.00 C ATOM 613 O ILE A 34 5.041 1.042 8.399 1.00 0.00 O ATOM 614 CB ILE A 34 8.132 2.201 7.974 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.882 2.993 6.901 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.110 1.495 8.900 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.569 4.231 7.434 1.00 0.00 C ATOM 0 H ILE A 34 5.588 2.217 6.435 1.00 0.00 H new ATOM 0 HA ILE A 34 7.769 0.351 6.926 1.00 0.00 H new ATOM 0 HB ILE A 34 7.540 2.899 8.567 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.626 2.346 6.437 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.181 3.285 6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.775 2.229 9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.558 0.971 9.681 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.699 0.778 8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.080 4.743 6.619 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.827 4.898 7.873 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.295 3.945 8.195 1.00 0.00 H new ATOM 629 N LYS A 35 6.703 -0.218 9.241 1.00 0.00 N ATOM 630 CA LYS A 35 5.880 -0.791 10.300 1.00 0.00 C ATOM 631 C LYS A 35 4.511 -1.198 9.765 1.00 0.00 C ATOM 632 O LYS A 35 3.485 -0.913 10.380 1.00 0.00 O ATOM 633 CB LYS A 35 5.716 0.210 11.445 1.00 0.00 C ATOM 634 CG LYS A 35 6.838 0.156 12.466 1.00 0.00 C ATOM 635 CD LYS A 35 6.541 1.036 13.669 1.00 0.00 C ATOM 636 CE LYS A 35 7.790 1.287 14.499 1.00 0.00 C ATOM 637 NZ LYS A 35 7.993 0.230 15.529 1.00 0.00 N ATOM 0 H LYS A 35 7.668 -0.547 9.233 1.00 0.00 H new ATOM 0 HA LYS A 35 6.383 -1.682 10.675 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.661 1.217 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.768 0.021 11.949 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.983 -0.873 12.794 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.770 0.477 12.001 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.130 1.988 13.332 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.780 0.562 14.289 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.660 1.327 13.843 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.713 2.259 14.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.854 0.437 16.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.175 0.208 16.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.092 -0.694 15.063 1.00 0.00 H new ATOM 651 N ASN A 36 4.504 -1.867 8.616 1.00 0.00 N ATOM 652 CA ASN A 36 3.260 -2.313 8.000 1.00 0.00 C ATOM 653 C ASN A 36 2.301 -1.144 7.800 1.00 0.00 C ATOM 654 O ASN A 36 1.083 -1.304 7.885 1.00 0.00 O ATOM 655 CB ASN A 36 2.597 -3.389 8.862 1.00 0.00 C ATOM 656 CG ASN A 36 3.609 -4.241 9.604 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.241 -5.123 9.021 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.767 -3.980 10.896 1.00 0.00 N ATOM 0 H ASN A 36 5.345 -2.112 8.094 1.00 0.00 H new ATOM 0 HA ASN A 36 3.499 -2.735 7.024 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.929 -2.914 9.581 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.982 -4.029 8.230 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.434 -4.520 11.448 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.222 -3.240 11.337 1.00 0.00 H new ATOM 665 N TYR A 37 2.859 0.032 7.533 1.00 0.00 N ATOM 666 CA TYR A 37 2.054 1.230 7.323 1.00 0.00 C ATOM 667 C TYR A 37 2.662 2.111 6.236 1.00 0.00 C ATOM 668 O TYR A 37 3.873 2.100 6.017 1.00 0.00 O ATOM 669 CB TYR A 37 1.929 2.021 8.626 1.00 0.00 C ATOM 670 CG TYR A 37 3.133 2.885 8.927 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.463 3.960 8.112 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.942 2.625 10.027 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.562 4.752 8.383 1.00 0.00 C ATOM 674 CE2 TYR A 37 5.042 3.412 10.307 1.00 0.00 C ATOM 675 CZ TYR A 37 5.348 4.474 9.482 1.00 0.00 C ATOM 676 OH TYR A 37 6.444 5.259 9.756 1.00 0.00 O ATOM 0 H TYR A 37 3.865 0.181 7.457 1.00 0.00 H new ATOM 0 HA TYR A 37 1.061 0.918 6.999 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.042 2.653 8.574 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.776 1.325 9.451 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.850 4.181 7.251 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.706 1.793 10.674 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.804 5.584 7.738 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.659 3.197 11.167 1.00 0.00 H new ATOM 0 HH TYR A 37 6.889 4.929 10.565 1.00 0.00 H new ATOM 686 N GLY A 38 1.811 2.875 5.557 1.00 0.00 N ATOM 687 CA GLY A 38 2.282 3.752 4.502 1.00 0.00 C ATOM 688 C GLY A 38 1.718 5.154 4.618 1.00 0.00 C ATOM 689 O GLY A 38 0.549 5.334 4.961 1.00 0.00 O ATOM 0 H GLY A 38 0.804 2.902 5.719 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.371 3.798 4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.007 3.332 3.535 1.00 0.00 H new ATOM 693 N PHE A 39 2.549 6.151 4.334 1.00 0.00 N ATOM 694 CA PHE A 39 2.128 7.544 4.412 1.00 0.00 C ATOM 695 C PHE A 39 2.062 8.171 3.022 1.00 0.00 C ATOM 696 O PHE A 39 3.067 8.245 2.314 1.00 0.00 O ATOM 697 CB PHE A 39 3.087 8.341 5.298 1.00 0.00 C ATOM 698 CG PHE A 39 2.985 7.994 6.756 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.747 7.846 7.362 1.00 0.00 C ATOM 700 CD2 PHE A 39 4.126 7.814 7.521 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.650 7.526 8.703 1.00 0.00 C ATOM 702 CE2 PHE A 39 4.035 7.493 8.862 1.00 0.00 C ATOM 703 CZ PHE A 39 2.795 7.350 9.454 1.00 0.00 C ATOM 0 H PHE A 39 3.519 6.020 4.047 1.00 0.00 H new ATOM 0 HA PHE A 39 1.131 7.571 4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.109 8.167 4.962 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.887 9.405 5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.848 7.982 6.779 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.098 7.926 7.064 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.679 7.414 9.163 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.932 7.354 9.447 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.721 7.101 10.502 1.00 0.00 H new ATOM 713 N VAL A 40 0.872 8.621 2.638 1.00 0.00 N ATOM 714 CA VAL A 40 0.675 9.242 1.333 1.00 0.00 C ATOM 715 C VAL A 40 0.214 10.688 1.477 1.00 0.00 C ATOM 716 O VAL A 40 -0.840 10.961 2.054 1.00 0.00 O ATOM 717 CB VAL A 40 -0.358 8.467 0.493 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.555 9.134 -0.859 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.073 7.018 0.325 1.00 0.00 C ATOM 0 H VAL A 40 0.030 8.567 3.211 1.00 0.00 H new ATOM 0 HA VAL A 40 1.638 9.219 0.823 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.312 8.480 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.288 8.573 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.912 10.154 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.393 9.155 -1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.668 6.485 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.039 6.982 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.158 6.548 1.305 1.00 0.00 H new ATOM 729 N HIS A 41 1.009 11.613 0.949 1.00 0.00 N ATOM 730 CA HIS A 41 0.683 13.033 1.017 1.00 0.00 C ATOM 731 C HIS A 41 0.219 13.549 -0.341 1.00 0.00 C ATOM 732 O HIS A 41 1.036 13.871 -1.205 1.00 0.00 O ATOM 733 CB HIS A 41 1.894 13.834 1.494 1.00 0.00 C ATOM 734 CG HIS A 41 2.321 13.499 2.890 1.00 0.00 C ATOM 735 ND1 HIS A 41 2.599 14.457 3.842 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.516 12.303 3.494 1.00 0.00 C ATOM 737 CE1 HIS A 41 2.948 13.865 4.971 1.00 0.00 C ATOM 738 NE2 HIS A 41 2.906 12.558 4.786 1.00 0.00 N ATOM 0 H HIS A 41 1.884 11.404 0.469 1.00 0.00 H new ATOM 0 HA HIS A 41 -0.130 13.160 1.731 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.728 13.655 0.815 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.660 14.897 1.439 1.00 0.00 H new ATOM 0 HD1 HIS A 41 2.544 15.465 3.697 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.389 11.330 3.044 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.221 14.365 5.889 1.00 0.00 H new ATOM 746 N ILE A 42 -1.095 13.625 -0.523 1.00 0.00 N ATOM 747 CA ILE A 42 -1.666 14.103 -1.776 1.00 0.00 C ATOM 748 C ILE A 42 -1.483 15.610 -1.924 1.00 0.00 C ATOM 749 O ILE A 42 -1.175 16.305 -0.957 1.00 0.00 O ATOM 750 CB ILE A 42 -3.166 13.767 -1.876 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.624 13.809 -3.335 1.00 0.00 C ATOM 752 CG2 ILE A 42 -3.982 14.733 -1.031 1.00 0.00 C ATOM 753 CD1 ILE A 42 -4.908 13.049 -3.587 1.00 0.00 C ATOM 0 H ILE A 42 -1.784 13.362 0.181 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.134 13.594 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.324 12.758 -1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.761 14.848 -3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.837 13.397 -3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.040 14.483 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.670 14.658 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.822 15.751 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.173 13.122 -4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.769 12.002 -3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.708 13.476 -2.982 1.00 0.00 H new ATOM 765 N GLU A 43 -1.678 16.107 -3.142 1.00 0.00 N ATOM 766 CA GLU A 43 -1.536 17.532 -3.416 1.00 0.00 C ATOM 767 C GLU A 43 -2.842 18.272 -3.143 1.00 0.00 C ATOM 768 O GLU A 43 -2.845 19.355 -2.557 1.00 0.00 O ATOM 769 CB GLU A 43 -1.104 17.755 -4.867 1.00 0.00 C ATOM 770 CG GLU A 43 -2.267 17.954 -5.824 1.00 0.00 C ATOM 771 CD GLU A 43 -1.813 18.324 -7.223 1.00 0.00 C ATOM 772 OE1 GLU A 43 -0.612 18.160 -7.521 1.00 0.00 O ATOM 773 OE2 GLU A 43 -2.661 18.776 -8.021 1.00 0.00 O ATOM 0 H GLU A 43 -1.934 15.544 -3.953 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.769 17.928 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.453 18.628 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.515 16.900 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.858 17.039 -5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.920 18.737 -5.439 1.00 0.00 H new ATOM 780 N ASP A 44 -3.951 17.680 -3.574 1.00 0.00 N ATOM 781 CA ASP A 44 -5.265 18.282 -3.377 1.00 0.00 C ATOM 782 C ASP A 44 -6.009 17.599 -2.234 1.00 0.00 C ATOM 783 O ASP A 44 -5.895 16.388 -2.039 1.00 0.00 O ATOM 784 CB ASP A 44 -6.088 18.193 -4.663 1.00 0.00 C ATOM 785 CG ASP A 44 -5.790 19.330 -5.620 1.00 0.00 C ATOM 786 OD1 ASP A 44 -5.025 20.240 -5.240 1.00 0.00 O ATOM 787 OD2 ASP A 44 -6.324 19.310 -6.750 1.00 0.00 O ATOM 0 H ASP A 44 -3.966 16.784 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.122 19.331 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.884 17.243 -5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.149 18.201 -4.413 1.00 0.00 H new ATOM 792 N LYS A 45 -6.771 18.383 -1.479 1.00 0.00 N ATOM 793 CA LYS A 45 -7.535 17.855 -0.355 1.00 0.00 C ATOM 794 C LYS A 45 -8.733 17.046 -0.842 1.00 0.00 C ATOM 795 O LYS A 45 -8.843 15.851 -0.565 1.00 0.00 O ATOM 796 CB LYS A 45 -8.011 18.997 0.546 1.00 0.00 C ATOM 797 CG LYS A 45 -8.947 18.548 1.655 1.00 0.00 C ATOM 798 CD LYS A 45 -9.214 19.668 2.647 1.00 0.00 C ATOM 799 CE LYS A 45 -8.070 19.818 3.638 1.00 0.00 C ATOM 800 NZ LYS A 45 -8.265 18.965 4.843 1.00 0.00 N ATOM 0 H LYS A 45 -6.876 19.387 -1.625 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.882 17.196 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.143 19.484 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.518 19.744 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.889 18.211 1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.512 17.695 2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.357 20.605 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.140 19.465 3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.131 19.551 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.987 20.862 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.465 19.096 5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.148 19.236 5.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.319 17.967 4.557 1.00 0.00 H new ATOM 814 N THR A 46 -9.628 17.704 -1.572 1.00 0.00 N ATOM 815 CA THR A 46 -10.817 17.046 -2.099 1.00 0.00 C ATOM 816 C THR A 46 -10.485 15.659 -2.639 1.00 0.00 C ATOM 817 O THR A 46 -11.306 14.745 -2.577 1.00 0.00 O ATOM 818 CB THR A 46 -11.470 17.877 -3.219 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.629 19.235 -2.792 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.824 17.299 -3.603 1.00 0.00 C ATOM 0 H THR A 46 -9.552 18.692 -1.812 1.00 0.00 H new ATOM 0 HA THR A 46 -11.519 16.952 -1.270 1.00 0.00 H new ATOM 0 HB THR A 46 -10.818 17.845 -4.092 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.043 19.757 -3.510 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.266 17.903 -4.396 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.696 16.275 -3.955 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.482 17.304 -2.734 1.00 0.00 H new ATOM 828 N ALA A 47 -9.274 15.510 -3.167 1.00 0.00 N ATOM 829 CA ALA A 47 -8.832 14.234 -3.715 1.00 0.00 C ATOM 830 C ALA A 47 -8.699 13.182 -2.619 1.00 0.00 C ATOM 831 O ALA A 47 -9.203 12.067 -2.750 1.00 0.00 O ATOM 832 CB ALA A 47 -7.511 14.404 -4.449 1.00 0.00 C ATOM 0 H ALA A 47 -8.582 16.257 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.586 13.890 -4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.193 13.443 -4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.637 15.117 -5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.755 14.775 -3.757 1.00 0.00 H new ATOM 838 N ALA A 48 -8.016 13.544 -1.538 1.00 0.00 N ATOM 839 CA ALA A 48 -7.817 12.632 -0.418 1.00 0.00 C ATOM 840 C ALA A 48 -9.102 11.880 -0.088 1.00 0.00 C ATOM 841 O ALA A 48 -9.070 10.700 0.257 1.00 0.00 O ATOM 842 CB ALA A 48 -7.321 13.394 0.802 1.00 0.00 C ATOM 0 H ALA A 48 -7.591 14.463 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.062 11.900 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.177 12.700 1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.374 13.880 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.056 14.148 1.084 1.00 0.00 H new ATOM 848 N GLU A 49 -10.232 12.573 -0.196 1.00 0.00 N ATOM 849 CA GLU A 49 -11.528 11.969 0.093 1.00 0.00 C ATOM 850 C GLU A 49 -11.920 10.975 -0.996 1.00 0.00 C ATOM 851 O GLU A 49 -12.500 9.926 -0.714 1.00 0.00 O ATOM 852 CB GLU A 49 -12.602 13.051 0.222 1.00 0.00 C ATOM 853 CG GLU A 49 -12.458 13.906 1.470 1.00 0.00 C ATOM 854 CD GLU A 49 -13.760 14.569 1.875 1.00 0.00 C ATOM 855 OE1 GLU A 49 -14.533 13.947 2.634 1.00 0.00 O ATOM 856 OE2 GLU A 49 -14.006 15.711 1.434 1.00 0.00 O ATOM 0 H GLU A 49 -10.276 13.551 -0.481 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.447 11.432 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.564 13.696 -0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.584 12.578 0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.099 13.286 2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.703 14.673 1.296 1.00 0.00 H new ATOM 863 N ASP A 50 -11.600 11.313 -2.240 1.00 0.00 N ATOM 864 CA ASP A 50 -11.917 10.450 -3.373 1.00 0.00 C ATOM 865 C ASP A 50 -11.055 9.192 -3.356 1.00 0.00 C ATOM 866 O ASP A 50 -11.567 8.076 -3.430 1.00 0.00 O ATOM 867 CB ASP A 50 -11.716 11.204 -4.688 1.00 0.00 C ATOM 868 CG ASP A 50 -12.878 12.123 -5.012 1.00 0.00 C ATOM 869 OD1 ASP A 50 -13.517 12.627 -4.066 1.00 0.00 O ATOM 870 OD2 ASP A 50 -13.148 12.336 -6.213 1.00 0.00 O ATOM 0 H ASP A 50 -11.121 12.178 -2.490 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.962 10.153 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.798 11.790 -4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.587 10.487 -5.499 1.00 0.00 H new ATOM 875 N ALA A 51 -9.743 9.381 -3.259 1.00 0.00 N ATOM 876 CA ALA A 51 -8.810 8.262 -3.232 1.00 0.00 C ATOM 877 C ALA A 51 -9.039 7.386 -2.005 1.00 0.00 C ATOM 878 O ALA A 51 -9.125 6.162 -2.112 1.00 0.00 O ATOM 879 CB ALA A 51 -7.376 8.769 -3.261 1.00 0.00 C ATOM 0 H ALA A 51 -9.303 10.299 -3.198 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.986 7.653 -4.119 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.690 7.922 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.213 9.346 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.196 9.403 -2.392 1.00 0.00 H new ATOM 885 N ILE A 52 -9.135 8.020 -0.841 1.00 0.00 N ATOM 886 CA ILE A 52 -9.354 7.297 0.406 1.00 0.00 C ATOM 887 C ILE A 52 -10.654 6.502 0.359 1.00 0.00 C ATOM 888 O ILE A 52 -10.655 5.284 0.540 1.00 0.00 O ATOM 889 CB ILE A 52 -9.395 8.255 1.611 1.00 0.00 C ATOM 890 CG1 ILE A 52 -7.996 8.804 1.901 1.00 0.00 C ATOM 891 CG2 ILE A 52 -9.954 7.543 2.834 1.00 0.00 C ATOM 892 CD1 ILE A 52 -7.993 9.975 2.859 1.00 0.00 C ATOM 0 H ILE A 52 -9.065 9.032 -0.735 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.515 6.611 0.525 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.051 9.092 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.380 8.006 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.533 9.111 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.977 8.233 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.965 7.195 2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.321 6.690 3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.969 10.312 3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.582 10.790 2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.426 9.667 3.811 1.00 0.00 H new ATOM 904 N ARG A 53 -11.759 7.198 0.114 1.00 0.00 N ATOM 905 CA ARG A 53 -13.067 6.556 0.042 1.00 0.00 C ATOM 906 C ARG A 53 -12.982 5.233 -0.712 1.00 0.00 C ATOM 907 O ARG A 53 -13.435 4.199 -0.223 1.00 0.00 O ATOM 908 CB ARG A 53 -14.076 7.481 -0.641 1.00 0.00 C ATOM 909 CG ARG A 53 -14.804 8.405 0.322 1.00 0.00 C ATOM 910 CD ARG A 53 -15.928 9.159 -0.372 1.00 0.00 C ATOM 911 NE ARG A 53 -16.684 9.993 0.558 1.00 0.00 N ATOM 912 CZ ARG A 53 -17.800 10.634 0.230 1.00 0.00 C ATOM 913 NH1 ARG A 53 -18.287 10.537 -0.999 1.00 0.00 N ATOM 914 NH2 ARG A 53 -18.432 11.373 1.133 1.00 0.00 N ATOM 0 H ARG A 53 -11.775 8.206 -0.038 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.401 6.354 1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.557 8.083 -1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.809 6.875 -1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.211 7.823 1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -14.097 9.116 0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -15.511 9.783 -1.162 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -16.601 8.447 -0.850 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.336 10.089 1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -17.804 9.969 -1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -19.144 11.030 -1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.061 11.449 2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -19.289 11.865 0.880 1.00 0.00 H new ATOM 928 N ASN A 54 -12.399 5.274 -1.906 1.00 0.00 N ATOM 929 CA ASN A 54 -12.256 4.078 -2.728 1.00 0.00 C ATOM 930 C ASN A 54 -11.198 3.143 -2.149 1.00 0.00 C ATOM 931 O ASN A 54 -11.517 2.074 -1.628 1.00 0.00 O ATOM 932 CB ASN A 54 -11.885 4.461 -4.162 1.00 0.00 C ATOM 933 CG ASN A 54 -13.094 4.863 -4.984 1.00 0.00 C ATOM 934 OD1 ASN A 54 -13.871 4.015 -5.421 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.257 6.163 -5.200 1.00 0.00 N ATOM 0 H ASN A 54 -12.018 6.122 -2.325 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.212 3.555 -2.735 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.172 5.285 -4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.386 3.619 -4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.052 6.493 -5.748 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.588 6.831 -4.818 1.00 0.00 H new ATOM 942 N LEU A 55 -9.939 3.553 -2.244 1.00 0.00 N ATOM 943 CA LEU A 55 -8.832 2.753 -1.730 1.00 0.00 C ATOM 944 C LEU A 55 -9.256 1.973 -0.489 1.00 0.00 C ATOM 945 O LEU A 55 -8.923 0.797 -0.340 1.00 0.00 O ATOM 946 CB LEU A 55 -7.639 3.651 -1.399 1.00 0.00 C ATOM 947 CG LEU A 55 -6.783 4.095 -2.586 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.600 4.924 -2.111 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.306 2.887 -3.381 1.00 0.00 C ATOM 0 H LEU A 55 -9.658 4.435 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.540 2.042 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.010 4.541 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.998 3.124 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.396 4.716 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.003 5.231 -2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.962 5.808 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.986 4.328 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.698 3.222 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.710 2.240 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.168 2.333 -3.754 1.00 0.00 H new ATOM 961 N HIS A 56 -9.993 2.635 0.397 1.00 0.00 N ATOM 962 CA HIS A 56 -10.464 2.002 1.624 1.00 0.00 C ATOM 963 C HIS A 56 -10.928 0.574 1.355 1.00 0.00 C ATOM 964 O HIS A 56 -11.836 0.346 0.554 1.00 0.00 O ATOM 965 CB HIS A 56 -11.605 2.815 2.236 1.00 0.00 C ATOM 966 CG HIS A 56 -11.720 2.663 3.721 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.663 2.287 4.523 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.776 2.839 4.550 1.00 0.00 C ATOM 969 CE1 HIS A 56 -11.064 2.237 5.781 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.342 2.568 5.825 1.00 0.00 N ATOM 0 H HIS A 56 -10.277 3.609 0.289 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.633 1.968 2.329 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.458 3.868 1.997 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.545 2.512 1.774 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.774 3.137 4.263 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.451 1.971 6.629 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.914 2.615 6.668 1.00 0.00 H new ATOM 978 N HIS A 57 -10.299 -0.384 2.028 1.00 0.00 N ATOM 979 CA HIS A 57 -10.648 -1.791 1.861 1.00 0.00 C ATOM 980 C HIS A 57 -10.481 -2.223 0.408 1.00 0.00 C ATOM 981 O HIS A 57 -11.239 -3.053 -0.095 1.00 0.00 O ATOM 982 CB HIS A 57 -12.086 -2.039 2.317 1.00 0.00 C ATOM 983 CG HIS A 57 -12.284 -1.874 3.792 1.00 0.00 C ATOM 984 ND1 HIS A 57 -13.309 -2.482 4.487 1.00 0.00 N ATOM 985 CD2 HIS A 57 -11.580 -1.167 4.707 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.228 -2.154 5.764 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.187 -1.357 5.924 1.00 0.00 N ATOM 0 H HIS A 57 -9.546 -0.212 2.694 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.972 -2.383 2.478 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.749 -1.352 1.791 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.380 -3.049 2.030 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.704 -0.565 4.515 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.899 -2.482 6.544 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -11.883 -0.949 6.808 1.00 0.00 H new ATOM 995 N TYR A 58 -9.484 -1.656 -0.262 1.00 0.00 N ATOM 996 CA TYR A 58 -9.219 -1.981 -1.658 1.00 0.00 C ATOM 997 C TYR A 58 -8.586 -3.363 -1.786 1.00 0.00 C ATOM 998 O TYR A 58 -7.505 -3.616 -1.253 1.00 0.00 O ATOM 999 CB TYR A 58 -8.301 -0.928 -2.283 1.00 0.00 C ATOM 1000 CG TYR A 58 -7.779 -1.314 -3.648 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -8.649 -1.659 -4.675 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -6.415 -1.335 -3.912 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -8.176 -2.014 -5.924 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -5.933 -1.687 -5.158 1.00 0.00 C ATOM 1005 CZ TYR A 58 -6.817 -2.025 -6.160 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.341 -2.377 -7.403 1.00 0.00 O ATOM 0 H TYR A 58 -8.846 -0.969 0.139 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.171 -1.987 -2.190 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.844 0.014 -2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.457 -0.753 -1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.714 -1.650 -4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.719 -1.071 -3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.866 -2.281 -6.711 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.870 -1.697 -5.346 1.00 0.00 H new ATOM 0 HH TYR A 58 -5.362 -2.333 -7.403 1.00 0.00 H new ATOM 1016 N LYS A 59 -9.268 -4.255 -2.496 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.774 -5.612 -2.697 1.00 0.00 C ATOM 1018 C LYS A 59 -7.466 -5.605 -3.481 1.00 0.00 C ATOM 1019 O LYS A 59 -7.457 -5.800 -4.697 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.819 -6.453 -3.436 1.00 0.00 C ATOM 1021 CG LYS A 59 -9.686 -7.945 -3.186 1.00 0.00 C ATOM 1022 CD LYS A 59 -10.890 -8.707 -3.712 1.00 0.00 C ATOM 1023 CE LYS A 59 -10.995 -10.087 -3.081 1.00 0.00 C ATOM 1024 NZ LYS A 59 -11.926 -10.972 -3.834 1.00 0.00 N ATOM 0 H LYS A 59 -10.165 -4.063 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.588 -6.052 -1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.815 -6.129 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.735 -6.263 -4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.781 -8.316 -3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.577 -8.128 -2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.799 -8.141 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.815 -8.806 -4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.007 -10.546 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.339 -9.990 -2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.970 -11.903 -3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.875 -10.547 -3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.584 -11.085 -4.810 1.00 0.00 H new ATOM 1038 N LEU A 60 -6.361 -5.380 -2.777 1.00 0.00 N ATOM 1039 CA LEU A 60 -5.046 -5.349 -3.407 1.00 0.00 C ATOM 1040 C LEU A 60 -4.281 -6.640 -3.134 1.00 0.00 C ATOM 1041 O LEU A 60 -4.224 -7.112 -1.998 1.00 0.00 O ATOM 1042 CB LEU A 60 -4.243 -4.150 -2.899 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.814 -4.026 -3.427 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.812 -3.926 -4.944 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -2.120 -2.821 -2.810 1.00 0.00 C ATOM 0 H LEU A 60 -6.350 -5.217 -1.770 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.188 -5.253 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.784 -3.240 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.204 -4.199 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.263 -4.922 -3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.786 -3.838 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.269 -4.820 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.380 -3.048 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.104 -2.749 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.670 -1.915 -3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.088 -2.935 -1.726 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.692 -7.206 -4.183 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.928 -8.442 -4.056 1.00 0.00 C ATOM 1059 C HIS A 61 -3.684 -9.464 -3.213 1.00 0.00 C ATOM 1060 O HIS A 61 -3.080 -10.318 -2.566 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.561 -8.159 -3.431 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.542 -7.673 -4.415 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.152 -8.404 -5.517 1.00 0.00 N ATOM 1064 CD2 HIS A 61 0.168 -6.521 -4.459 1.00 0.00 C ATOM 1065 CE1 HIS A 61 0.755 -7.723 -6.196 1.00 0.00 C ATOM 1066 NE2 HIS A 61 0.966 -6.577 -5.575 1.00 0.00 N ATOM 0 H HIS A 61 -3.729 -6.829 -5.130 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.785 -8.856 -5.054 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.678 -7.414 -2.644 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.192 -9.069 -2.957 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.116 -5.709 -3.749 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.241 -8.049 -7.104 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.616 -5.851 -5.876 1.00 0.00 H new ATOM 1074 N GLY A 62 -5.010 -9.370 -3.226 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.827 -10.292 -2.458 1.00 0.00 C ATOM 1076 C GLY A 62 -5.828 -9.970 -0.977 1.00 0.00 C ATOM 1077 O GLY A 62 -5.901 -10.869 -0.139 1.00 0.00 O ATOM 0 H GLY A 62 -5.533 -8.672 -3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.850 -10.265 -2.833 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.460 -11.308 -2.606 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.746 -8.684 -0.653 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.738 -8.245 0.738 1.00 0.00 C ATOM 1083 C VAL A 63 -6.659 -7.047 0.941 1.00 0.00 C ATOM 1084 O VAL A 63 -6.942 -6.302 0.003 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.317 -7.871 1.200 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.882 -6.554 0.577 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.253 -7.800 2.718 1.00 0.00 C ATOM 0 H VAL A 63 -5.684 -7.928 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.098 -9.082 1.337 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.628 -8.647 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.876 -6.306 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.888 -6.646 -0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.570 -5.764 0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.242 -7.535 3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.952 -7.045 3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.519 -8.770 3.139 1.00 0.00 H new ATOM 1097 N ASN A 64 -7.122 -6.866 2.174 1.00 0.00 N ATOM 1098 CA ASN A 64 -8.011 -5.757 2.501 1.00 0.00 C ATOM 1099 C ASN A 64 -7.259 -4.659 3.246 1.00 0.00 C ATOM 1100 O ASN A 64 -7.089 -4.725 4.464 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.186 -6.251 3.348 1.00 0.00 C ATOM 1102 CG ASN A 64 -9.799 -7.525 2.799 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -9.782 -8.568 3.454 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.345 -7.446 1.591 1.00 0.00 N ATOM 0 H ASN A 64 -6.896 -7.473 2.962 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.393 -5.343 1.568 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.847 -6.425 4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.949 -5.474 3.394 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.773 -8.271 1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.336 -6.561 1.084 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.812 -3.650 2.507 1.00 0.00 N ATOM 1112 CA ILE A 65 -6.080 -2.536 3.097 1.00 0.00 C ATOM 1113 C ILE A 65 -7.032 -1.522 3.722 1.00 0.00 C ATOM 1114 O ILE A 65 -8.131 -1.295 3.218 1.00 0.00 O ATOM 1115 CB ILE A 65 -5.201 -1.823 2.053 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -6.075 -1.160 0.986 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -4.232 -2.807 1.415 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.328 -0.168 0.123 1.00 0.00 C ATOM 0 H ILE A 65 -6.944 -3.581 1.498 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.439 -2.955 3.873 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.622 -1.048 2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.504 -1.933 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.906 -0.651 1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.618 -2.288 0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.591 -3.237 2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.792 -3.602 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.010 0.262 -0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.921 0.626 0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.513 -0.676 -0.393 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.601 -0.914 4.823 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.414 0.078 5.516 1.00 0.00 C ATOM 1132 C ASN A 66 -6.834 1.477 5.340 1.00 0.00 C ATOM 1133 O ASN A 66 -5.718 1.759 5.778 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.511 -0.263 7.005 1.00 0.00 C ATOM 1135 CG ASN A 66 -8.335 -1.510 7.261 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -8.926 -2.076 6.342 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -8.377 -1.944 8.515 1.00 0.00 N ATOM 0 H ASN A 66 -5.694 -1.091 5.254 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.413 0.062 5.080 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.508 -0.404 7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.954 0.578 7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.915 -2.779 8.748 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.871 -1.443 9.245 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.600 2.353 4.695 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.163 3.724 4.462 1.00 0.00 C ATOM 1146 C VAL A 67 -7.891 4.697 5.383 1.00 0.00 C ATOM 1147 O VAL A 67 -9.120 4.713 5.438 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.397 4.146 2.999 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.716 5.475 2.711 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.903 3.067 2.048 1.00 0.00 C ATOM 0 H VAL A 67 -8.526 2.137 4.325 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.095 3.757 4.676 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.468 4.273 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.892 5.757 1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.123 6.243 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.644 5.380 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.076 3.382 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.836 2.906 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.442 2.139 2.239 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.122 5.507 6.105 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.695 6.483 7.024 1.00 0.00 C ATOM 1162 C GLU A 68 -6.860 7.760 7.052 1.00 0.00 C ATOM 1163 O GLU A 68 -5.639 7.718 6.906 1.00 0.00 O ATOM 1164 CB GLU A 68 -7.793 5.894 8.433 1.00 0.00 C ATOM 1165 CG GLU A 68 -8.187 6.910 9.492 1.00 0.00 C ATOM 1166 CD GLU A 68 -8.676 6.259 10.771 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -8.116 5.212 11.156 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -9.619 6.799 11.387 1.00 0.00 O ATOM 0 H GLU A 68 -6.103 5.506 6.071 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.696 6.732 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.523 5.084 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.832 5.456 8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.331 7.546 9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.969 7.557 9.096 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.528 8.893 7.239 1.00 0.00 N ATOM 1176 CA ALA A 69 -6.849 10.182 7.287 1.00 0.00 C ATOM 1177 C ALA A 69 -6.207 10.414 8.651 1.00 0.00 C ATOM 1178 O ALA A 69 -6.724 9.965 9.675 1.00 0.00 O ATOM 1179 CB ALA A 69 -7.822 11.305 6.962 1.00 0.00 C ATOM 0 H ALA A 69 -8.540 8.945 7.360 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.057 10.175 6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.300 12.261 7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.230 11.155 5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.634 11.304 7.689 1.00 0.00 H new ATOM 1185 N SER A 70 -5.079 11.116 8.658 1.00 0.00 N ATOM 1186 CA SER A 70 -4.365 11.404 9.896 1.00 0.00 C ATOM 1187 C SER A 70 -5.069 12.502 10.687 1.00 0.00 C ATOM 1188 O SER A 70 -5.683 12.243 11.722 1.00 0.00 O ATOM 1189 CB SER A 70 -2.924 11.820 9.594 1.00 0.00 C ATOM 1190 OG SER A 70 -2.269 12.276 10.765 1.00 0.00 O ATOM 0 H SER A 70 -4.639 11.496 7.820 1.00 0.00 H new ATOM 0 HA SER A 70 -4.354 10.496 10.499 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.379 10.975 9.174 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.920 12.608 8.841 1.00 0.00 H new ATOM 0 HG SER A 70 -1.349 12.534 10.546 1.00 0.00 H new ATOM 1196 N LYS A 71 -4.975 13.732 10.192 1.00 0.00 N ATOM 1197 CA LYS A 71 -5.602 14.872 10.849 1.00 0.00 C ATOM 1198 C LYS A 71 -6.393 15.709 9.848 1.00 0.00 C ATOM 1199 O LYS A 71 -5.829 16.258 8.902 1.00 0.00 O ATOM 1200 CB LYS A 71 -4.543 15.740 11.532 1.00 0.00 C ATOM 1201 CG LYS A 71 -3.635 14.965 12.472 1.00 0.00 C ATOM 1202 CD LYS A 71 -4.176 14.961 13.892 1.00 0.00 C ATOM 1203 CE LYS A 71 -5.069 13.757 14.145 1.00 0.00 C ATOM 1204 NZ LYS A 71 -5.756 13.844 15.464 1.00 0.00 N ATOM 0 H LYS A 71 -4.470 13.964 9.337 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.291 14.491 11.603 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.934 16.223 10.768 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.040 16.532 12.092 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.533 13.939 12.118 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.638 15.406 12.463 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.346 14.955 14.599 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.739 15.877 14.070 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.813 13.684 13.352 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.471 12.847 14.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.355 13.005 15.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.046 13.889 16.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.347 14.699 15.492 1.00 0.00 H new ATOM 1218 N ASN A 72 -7.701 15.804 10.065 1.00 0.00 N ATOM 1219 CA ASN A 72 -8.568 16.575 9.182 1.00 0.00 C ATOM 1220 C ASN A 72 -8.892 17.936 9.792 1.00 0.00 C ATOM 1221 O ASN A 72 -9.995 18.157 10.294 1.00 0.00 O ATOM 1222 CB ASN A 72 -9.861 15.807 8.904 1.00 0.00 C ATOM 1223 CG ASN A 72 -9.601 14.403 8.395 1.00 0.00 C ATOM 1224 OD1 ASN A 72 -8.824 13.650 8.983 1.00 0.00 O ATOM 1225 ND2 ASN A 72 -10.252 14.043 7.294 1.00 0.00 N ATOM 0 H ASN A 72 -8.183 15.357 10.845 1.00 0.00 H new ATOM 0 HA ASN A 72 -8.039 16.734 8.242 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.453 15.755 9.818 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.454 16.353 8.170 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.117 13.110 6.904 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.887 14.699 6.839 1.00 0.00 H new ATOM 1232 N LYS A 73 -7.925 18.845 9.744 1.00 0.00 N ATOM 1233 CA LYS A 73 -8.107 20.185 10.289 1.00 0.00 C ATOM 1234 C LYS A 73 -7.756 21.247 9.252 1.00 0.00 C ATOM 1235 O LYS A 73 -6.617 21.324 8.789 1.00 0.00 O ATOM 1236 CB LYS A 73 -7.242 20.372 11.538 1.00 0.00 C ATOM 1237 CG LYS A 73 -7.832 21.341 12.548 1.00 0.00 C ATOM 1238 CD LYS A 73 -7.460 22.778 12.225 1.00 0.00 C ATOM 1239 CE LYS A 73 -6.099 23.144 12.799 1.00 0.00 C ATOM 1240 NZ LYS A 73 -4.998 22.858 11.838 1.00 0.00 N ATOM 0 H LYS A 73 -7.006 18.678 9.333 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.156 20.300 10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.097 19.404 12.018 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.257 20.729 11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.917 21.239 12.560 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.477 21.088 13.547 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.450 22.918 11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.218 23.450 12.627 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.087 24.202 13.060 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.931 22.586 13.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.368 23.683 11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.456 22.033 12.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.399 22.657 10.900 1.00 0.00 H new ATOM 1254 N SER A 74 -8.740 22.064 8.891 1.00 0.00 N ATOM 1255 CA SER A 74 -8.535 23.120 7.907 1.00 0.00 C ATOM 1256 C SER A 74 -9.135 24.437 8.390 1.00 0.00 C ATOM 1257 O SER A 74 -10.067 24.451 9.194 1.00 0.00 O ATOM 1258 CB SER A 74 -9.158 22.724 6.567 1.00 0.00 C ATOM 1259 OG SER A 74 -10.567 22.613 6.672 1.00 0.00 O ATOM 0 H SER A 74 -9.688 22.015 9.265 1.00 0.00 H new ATOM 0 HA SER A 74 -7.462 23.257 7.775 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.904 23.467 5.811 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.739 21.774 6.234 1.00 0.00 H new ATOM 0 HG SER A 74 -10.941 22.361 5.802 1.00 0.00 H new ATOM 1265 N LYS A 75 -8.592 25.544 7.894 1.00 0.00 N ATOM 1266 CA LYS A 75 -9.072 26.868 8.272 1.00 0.00 C ATOM 1267 C LYS A 75 -9.476 27.673 7.041 1.00 0.00 C ATOM 1268 O LYS A 75 -10.450 28.423 7.070 1.00 0.00 O ATOM 1269 CB LYS A 75 -7.993 27.620 9.054 1.00 0.00 C ATOM 1270 CG LYS A 75 -6.785 27.998 8.215 1.00 0.00 C ATOM 1271 CD LYS A 75 -6.956 29.367 7.577 1.00 0.00 C ATOM 1272 CE LYS A 75 -6.643 30.483 8.561 1.00 0.00 C ATOM 1273 NZ LYS A 75 -5.204 30.499 8.943 1.00 0.00 N ATOM 0 H LYS A 75 -7.819 25.550 7.229 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.950 26.741 8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.428 28.525 9.478 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.665 27.002 9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.892 27.996 8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.632 27.250 7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.300 29.450 6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.978 29.476 7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.912 31.442 8.119 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.255 30.361 9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.948 31.445 9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.036 29.796 9.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.622 30.268 8.113 1.00 0.00 H new ATOM 1287 N ALA A 76 -8.721 27.510 5.959 1.00 0.00 N ATOM 1288 CA ALA A 76 -9.002 28.218 4.717 1.00 0.00 C ATOM 1289 C ALA A 76 -10.190 27.598 3.989 1.00 0.00 C ATOM 1290 O ALA A 76 -10.703 26.555 4.394 1.00 0.00 O ATOM 1291 CB ALA A 76 -7.773 28.221 3.820 1.00 0.00 C ATOM 0 H ALA A 76 -7.910 26.893 5.918 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.258 29.248 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.998 28.753 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.949 28.717 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.490 27.194 3.587 1.00 0.00 H new ATOM 1297 N SER A 77 -10.622 28.247 2.912 1.00 0.00 N ATOM 1298 CA SER A 77 -11.753 27.761 2.130 1.00 0.00 C ATOM 1299 C SER A 77 -11.530 28.010 0.641 1.00 0.00 C ATOM 1300 O SER A 77 -10.721 28.854 0.255 1.00 0.00 O ATOM 1301 CB SER A 77 -13.045 28.443 2.584 1.00 0.00 C ATOM 1302 OG SER A 77 -12.963 29.849 2.427 1.00 0.00 O ATOM 0 H SER A 77 -10.206 29.110 2.561 1.00 0.00 H new ATOM 0 HA SER A 77 -11.841 26.687 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.885 28.058 2.006 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.239 28.202 3.629 1.00 0.00 H new ATOM 0 HG SER A 77 -13.802 30.261 2.723 1.00 0.00 H new ATOM 1308 N SER A 78 -12.253 27.268 -0.191 1.00 0.00 N ATOM 1309 CA SER A 78 -12.133 27.404 -1.638 1.00 0.00 C ATOM 1310 C SER A 78 -13.311 28.187 -2.210 1.00 0.00 C ATOM 1311 O SER A 78 -14.343 27.613 -2.555 1.00 0.00 O ATOM 1312 CB SER A 78 -12.054 26.025 -2.296 1.00 0.00 C ATOM 1313 OG SER A 78 -11.678 26.131 -3.659 1.00 0.00 O ATOM 0 H SER A 78 -12.928 26.566 0.112 1.00 0.00 H new ATOM 0 HA SER A 78 -11.216 27.954 -1.852 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.332 25.405 -1.764 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.020 25.526 -2.220 1.00 0.00 H new ATOM 0 HG SER A 78 -11.633 25.236 -4.056 1.00 0.00 H new ATOM 1319 N GLY A 79 -13.147 29.503 -2.308 1.00 0.00 N ATOM 1320 CA GLY A 79 -14.204 30.344 -2.839 1.00 0.00 C ATOM 1321 C GLY A 79 -13.811 31.018 -4.138 1.00 0.00 C ATOM 1322 O GLY A 79 -12.870 30.606 -4.817 1.00 0.00 O ATOM 0 H GLY A 79 -12.302 30.001 -2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -15.097 29.740 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.463 31.105 -2.103 1.00 0.00 H new ATOM 1326 N PRO A 80 -14.543 32.081 -4.503 1.00 0.00 N ATOM 1327 CA PRO A 80 -14.285 32.836 -5.733 1.00 0.00 C ATOM 1328 C PRO A 80 -13.118 33.805 -5.584 1.00 0.00 C ATOM 1329 O PRO A 80 -12.988 34.758 -6.352 1.00 0.00 O ATOM 1330 CB PRO A 80 -15.591 33.603 -5.959 1.00 0.00 C ATOM 1331 CG PRO A 80 -16.168 33.778 -4.597 1.00 0.00 C ATOM 1332 CD PRO A 80 -15.679 32.628 -3.742 1.00 0.00 C ATOM 0 HA PRO A 80 -14.009 32.183 -6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -15.407 34.565 -6.438 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -16.269 33.048 -6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.858 34.732 -4.170 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -17.257 33.787 -4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -15.371 32.968 -2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -16.458 31.880 -3.594 1.00 0.00 H new ATOM 1340 N SER A 81 -12.269 33.555 -4.592 1.00 0.00 N ATOM 1341 CA SER A 81 -11.113 34.408 -4.341 1.00 0.00 C ATOM 1342 C SER A 81 -9.855 33.816 -4.969 1.00 0.00 C ATOM 1343 O SER A 81 -9.709 32.598 -5.062 1.00 0.00 O ATOM 1344 CB SER A 81 -10.907 34.593 -2.836 1.00 0.00 C ATOM 1345 OG SER A 81 -10.136 35.751 -2.566 1.00 0.00 O ATOM 0 H SER A 81 -12.360 32.769 -3.949 1.00 0.00 H new ATOM 0 HA SER A 81 -11.303 35.380 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.874 34.673 -2.340 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.409 33.716 -2.423 1.00 0.00 H new ATOM 0 HG SER A 81 -10.020 35.848 -1.598 1.00 0.00 H new ATOM 1351 N SER A 82 -8.949 34.689 -5.398 1.00 0.00 N ATOM 1352 CA SER A 82 -7.705 34.255 -6.021 1.00 0.00 C ATOM 1353 C SER A 82 -7.030 33.169 -5.188 1.00 0.00 C ATOM 1354 O SER A 82 -7.065 33.202 -3.959 1.00 0.00 O ATOM 1355 CB SER A 82 -6.756 35.442 -6.197 1.00 0.00 C ATOM 1356 OG SER A 82 -6.412 36.009 -4.945 1.00 0.00 O ATOM 0 H SER A 82 -9.054 35.701 -5.325 1.00 0.00 H new ATOM 0 HA SER A 82 -7.944 33.842 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.853 35.116 -6.713 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.227 36.198 -6.825 1.00 0.00 H new ATOM 0 HG SER A 82 -5.804 36.765 -5.084 1.00 0.00 H new ATOM 1362 N GLY A 83 -6.414 32.207 -5.868 1.00 0.00 N ATOM 1363 CA GLY A 83 -5.740 31.124 -5.176 1.00 0.00 C ATOM 1364 C GLY A 83 -6.500 30.657 -3.950 1.00 0.00 C ATOM 1365 O GLY A 83 -7.472 29.910 -4.062 1.00 0.00 O ATOM 0 H GLY A 83 -6.370 32.158 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.610 30.285 -5.860 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.744 31.451 -4.879 1.00 0.00 H new TER 1369 GLY A 83