USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 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 121 ASN :FLIP amide:sc= -10.9! C(o=-11!,f=-10!) USER MOD Set 1.2: A 140 THR OG1 : rot 174:sc= 0.534 USER MOD Set 2.1: A 124 ASN :FLIP amide:sc= 0.844 F(o=-3.2,f=-1) USER MOD Set 2.2: A 126 THR OG1 : rot -86:sc= 0.163 USER MOD Set 2.3: A 127 ASN :FLIP amide:sc= -2.02 F(o=-3.2,f=-1) USER MOD Set 3.1: A 112 HIS : no HD1:sc= -0.461 K(o=-2.5,f=-3.3) USER MOD Set 3.2: A 151 ASN :FLIP amide:sc= -1.99! F(o=-5.1,f=-2.5!) USER MOD Single : A 73 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.216) USER MOD Single : A 89 ASN : amide:sc= -3.1 K(o=-3.1,f=-13!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 107:sc= -0.47 USER MOD Single : A 95 THR OG1 : rot -65:sc= 0.044 USER MOD Single : A 106 HIS : no HD1:sc= -0.282 X(o=-0.28,f=0.037) USER MOD Single : A 108 GLN : amide:sc= -0.95 K(o=-0.95,f=-5.3!) USER MOD Single : A 110 SER OG : rot 170:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 HIS : no HD1:sc= -0.0716 X(o=-0.072,f=-0.11) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 GLN :FLIP amide:sc= -0.622 F(o=-2.4!,f=-0.62) USER MOD Single : A 135 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.252) USER MOD Single : A 137 MET CE :methyl -105:sc= -1.12 (180deg=-5.7!) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 SER OG : rot 180:sc= -0.57 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 69 13.491 0.306 6.377 1.00 0.00 N ATOM 2 CA VAL A 69 12.261 0.066 5.580 1.00 0.00 C ATOM 3 C VAL A 69 11.328 -0.911 6.290 1.00 0.00 C ATOM 4 O VAL A 69 11.576 -1.311 7.427 1.00 0.00 O ATOM 5 CB VAL A 69 12.599 -0.480 4.176 1.00 0.00 C ATOM 6 CG1 VAL A 69 13.546 0.465 3.453 1.00 0.00 C ATOM 7 CG2 VAL A 69 13.197 -1.877 4.265 1.00 0.00 C ATOM 0 HA VAL A 69 11.758 1.027 5.473 1.00 0.00 H new ATOM 0 HB VAL A 69 11.674 -0.547 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.774 0.066 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.075 1.443 3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.468 0.565 4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.426 -2.239 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.112 -1.844 4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.482 -2.549 4.739 1.00 0.00 H new ATOM 17 N ARG A 70 10.249 -1.283 5.612 1.00 0.00 N ATOM 18 CA ARG A 70 9.269 -2.204 6.171 1.00 0.00 C ATOM 19 C ARG A 70 8.402 -2.783 5.061 1.00 0.00 C ATOM 20 O ARG A 70 8.181 -2.130 4.046 1.00 0.00 O ATOM 21 CB ARG A 70 8.393 -1.472 7.190 1.00 0.00 C ATOM 22 CG ARG A 70 8.452 -2.067 8.585 1.00 0.00 C ATOM 23 CD ARG A 70 7.636 -3.347 8.677 1.00 0.00 C ATOM 24 NE ARG A 70 7.155 -3.593 10.035 1.00 0.00 N ATOM 25 CZ ARG A 70 6.818 -4.794 10.499 1.00 0.00 C ATOM 26 NH1 ARG A 70 6.899 -5.864 9.716 1.00 0.00 N ATOM 27 NH2 ARG A 70 6.397 -4.928 11.749 1.00 0.00 N ATOM 0 H ARG A 70 10.031 -0.959 4.670 1.00 0.00 H new ATOM 0 HA ARG A 70 9.793 -3.020 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.701 -0.428 7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.360 -1.484 6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.489 -2.275 8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.077 -1.342 9.308 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.786 -3.285 7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.245 -4.190 8.350 1.00 0.00 H new ATOM 0 HE ARG A 70 7.073 -2.796 10.666 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.221 -5.768 8.753 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.639 -6.782 10.078 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.331 -4.110 12.355 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.139 -5.849 12.104 1.00 0.00 H new ATOM 41 N LEU A 71 7.903 -4.001 5.249 1.00 0.00 N ATOM 42 CA LEU A 71 7.057 -4.621 4.235 1.00 0.00 C ATOM 43 C LEU A 71 5.723 -5.061 4.831 1.00 0.00 C ATOM 44 O LEU A 71 5.644 -5.446 5.998 1.00 0.00 O ATOM 45 CB LEU A 71 7.779 -5.800 3.556 1.00 0.00 C ATOM 46 CG LEU A 71 7.400 -7.213 4.029 1.00 0.00 C ATOM 47 CD1 LEU A 71 7.527 -7.336 5.541 1.00 0.00 C ATOM 48 CD2 LEU A 71 5.994 -7.578 3.570 1.00 0.00 C ATOM 0 H LEU A 71 8.066 -4.570 6.080 1.00 0.00 H new ATOM 0 HA LEU A 71 6.850 -3.874 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.593 -5.740 2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.851 -5.670 3.701 1.00 0.00 H new ATOM 0 HG LEU A 71 8.098 -7.918 3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.253 -8.345 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.556 -7.133 5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.863 -6.618 6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.747 -8.582 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.280 -6.866 3.984 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.947 -7.548 2.481 1.00 0.00 H new ATOM 60 N ILE A 72 4.681 -5.001 4.013 1.00 0.00 N ATOM 61 CA ILE A 72 3.343 -5.391 4.437 1.00 0.00 C ATOM 62 C ILE A 72 2.813 -6.500 3.535 1.00 0.00 C ATOM 63 O ILE A 72 2.669 -6.310 2.328 1.00 0.00 O ATOM 64 CB ILE A 72 2.372 -4.194 4.399 1.00 0.00 C ATOM 65 CG1 ILE A 72 3.059 -2.935 4.934 1.00 0.00 C ATOM 66 CG2 ILE A 72 1.110 -4.501 5.195 1.00 0.00 C ATOM 67 CD1 ILE A 72 3.556 -3.071 6.357 1.00 0.00 C ATOM 0 H ILE A 72 4.738 -4.684 3.045 1.00 0.00 H new ATOM 0 HA ILE A 72 3.410 -5.750 5.464 1.00 0.00 H new ATOM 0 HB ILE A 72 2.083 -4.014 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.901 -2.688 4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.360 -2.100 4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.438 -3.644 5.156 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.613 -5.372 4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.375 -4.707 6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.031 -2.140 6.667 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.716 -3.287 7.017 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.280 -3.884 6.413 1.00 0.00 H new ATOM 79 N GLN A 73 2.537 -7.662 4.119 1.00 0.00 N ATOM 80 CA GLN A 73 2.043 -8.793 3.350 1.00 0.00 C ATOM 81 C GLN A 73 0.593 -9.100 3.689 1.00 0.00 C ATOM 82 O GLN A 73 0.267 -9.429 4.830 1.00 0.00 O ATOM 83 CB GLN A 73 2.914 -10.026 3.602 1.00 0.00 C ATOM 84 CG GLN A 73 3.997 -10.225 2.554 1.00 0.00 C ATOM 85 CD GLN A 73 3.794 -11.486 1.737 1.00 0.00 C ATOM 86 OE1 GLN A 73 4.309 -12.551 2.078 1.00 0.00 O ATOM 87 NE2 GLN A 73 3.040 -11.372 0.650 1.00 0.00 N ATOM 0 H GLN A 73 2.647 -7.842 5.117 1.00 0.00 H new ATOM 0 HA GLN A 73 2.095 -8.528 2.294 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.380 -9.938 4.583 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.278 -10.911 3.629 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.014 -9.363 1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.969 -10.267 3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.632 -10.470 0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.868 -12.187 0.061 1.00 0.00 H new ATOM 96 N PHE A 74 -0.275 -9.002 2.688 1.00 0.00 N ATOM 97 CA PHE A 74 -1.690 -9.284 2.887 1.00 0.00 C ATOM 98 C PHE A 74 -2.231 -10.177 1.776 1.00 0.00 C ATOM 99 O PHE A 74 -1.532 -10.469 0.804 1.00 0.00 O ATOM 100 CB PHE A 74 -2.502 -7.988 2.966 1.00 0.00 C ATOM 101 CG PHE A 74 -2.444 -7.149 1.720 1.00 0.00 C ATOM 102 CD1 PHE A 74 -3.032 -7.585 0.541 1.00 0.00 C ATOM 103 CD2 PHE A 74 -1.807 -5.921 1.731 1.00 0.00 C ATOM 104 CE1 PHE A 74 -2.983 -6.807 -0.601 1.00 0.00 C ATOM 105 CE2 PHE A 74 -1.755 -5.141 0.594 1.00 0.00 C ATOM 106 CZ PHE A 74 -2.344 -5.584 -0.574 1.00 0.00 C ATOM 0 H PHE A 74 -0.025 -8.731 1.737 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.791 -9.813 3.835 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.542 -8.236 3.176 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.140 -7.396 3.807 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.533 -8.541 0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.345 -5.568 2.641 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.444 -7.156 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.254 -4.185 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.305 -4.974 -1.465 1.00 0.00 H new ATOM 116 N GLU A 75 -3.478 -10.613 1.928 1.00 0.00 N ATOM 117 CA GLU A 75 -4.115 -11.480 0.944 1.00 0.00 C ATOM 118 C GLU A 75 -5.229 -10.752 0.197 1.00 0.00 C ATOM 119 O GLU A 75 -6.178 -10.259 0.808 1.00 0.00 O ATOM 120 CB GLU A 75 -4.688 -12.726 1.626 1.00 0.00 C ATOM 121 CG GLU A 75 -5.192 -12.479 3.040 1.00 0.00 C ATOM 122 CD GLU A 75 -5.781 -13.725 3.673 1.00 0.00 C ATOM 123 OE1 GLU A 75 -5.007 -14.656 3.982 1.00 0.00 O ATOM 124 OE2 GLU A 75 -7.015 -13.771 3.860 1.00 0.00 O ATOM 0 H GLU A 75 -4.068 -10.379 2.726 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.352 -11.775 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.508 -13.114 1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.919 -13.498 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.370 -12.116 3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.947 -11.693 3.021 1.00 0.00 H new ATOM 244 N GLY A 83 -9.645 -1.834 1.683 1.00 0.00 N ATOM 245 CA GLY A 83 -9.993 -0.534 1.141 1.00 0.00 C ATOM 246 C GLY A 83 -9.049 0.556 1.610 1.00 0.00 C ATOM 247 O GLY A 83 -9.408 1.377 2.454 1.00 0.00 O ATOM 0 HA2 GLY A 83 -9.978 -0.581 0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.012 -0.281 1.435 1.00 0.00 H new ATOM 251 N ILE A 84 -7.836 0.559 1.067 1.00 0.00 N ATOM 252 CA ILE A 84 -6.834 1.551 1.438 1.00 0.00 C ATOM 253 C ILE A 84 -6.518 2.485 0.272 1.00 0.00 C ATOM 254 O ILE A 84 -6.631 2.100 -0.892 1.00 0.00 O ATOM 255 CB ILE A 84 -5.530 0.874 1.912 1.00 0.00 C ATOM 256 CG1 ILE A 84 -4.881 0.090 0.768 1.00 0.00 C ATOM 257 CG2 ILE A 84 -5.812 -0.044 3.092 1.00 0.00 C ATOM 258 CD1 ILE A 84 -3.403 0.376 0.602 1.00 0.00 C ATOM 0 H ILE A 84 -7.523 -0.115 0.368 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.254 2.135 2.257 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.835 1.650 2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.019 -0.977 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.396 0.328 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.884 -0.515 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.230 0.538 3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.524 -0.813 2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.009 -0.213 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.259 1.436 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.876 0.111 1.519 1.00 0.00 H new ATOM 270 N THR A 85 -6.122 3.715 0.592 1.00 0.00 N ATOM 271 CA THR A 85 -5.790 4.697 -0.431 1.00 0.00 C ATOM 272 C THR A 85 -4.559 5.497 -0.021 1.00 0.00 C ATOM 273 O THR A 85 -4.370 5.801 1.156 1.00 0.00 O ATOM 274 CB THR A 85 -6.975 5.635 -0.665 1.00 0.00 C ATOM 275 OG1 THR A 85 -8.086 4.921 -1.175 1.00 0.00 O ATOM 276 CG2 THR A 85 -6.671 6.761 -1.629 1.00 0.00 C ATOM 0 H THR A 85 -6.024 4.052 1.550 1.00 0.00 H new ATOM 0 HA THR A 85 -5.569 4.171 -1.359 1.00 0.00 H new ATOM 0 HB THR A 85 -7.196 6.067 0.311 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.834 5.538 -1.317 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.555 7.387 -1.748 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.850 7.363 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.388 6.346 -2.596 1.00 0.00 H new ATOM 284 N LEU A 86 -3.724 5.833 -0.997 1.00 0.00 N ATOM 285 CA LEU A 86 -2.510 6.597 -0.731 1.00 0.00 C ATOM 286 C LEU A 86 -2.524 7.925 -1.477 1.00 0.00 C ATOM 287 O LEU A 86 -2.979 8.011 -2.617 1.00 0.00 O ATOM 288 CB LEU A 86 -1.273 5.792 -1.129 1.00 0.00 C ATOM 289 CG LEU A 86 -1.165 5.473 -2.616 1.00 0.00 C ATOM 290 CD1 LEU A 86 0.286 5.274 -3.019 1.00 0.00 C ATOM 291 CD2 LEU A 86 -1.989 4.240 -2.949 1.00 0.00 C ATOM 0 H LEU A 86 -3.864 5.589 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.473 6.802 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.384 6.345 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.272 4.856 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.559 6.317 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.340 5.047 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.849 6.184 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.712 4.447 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.904 4.022 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.621 3.390 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.034 4.422 -2.698 1.00 0.00 H new ATOM 303 N LYS A 87 -2.019 8.957 -0.815 1.00 0.00 N ATOM 304 CA LYS A 87 -1.962 10.294 -1.393 1.00 0.00 C ATOM 305 C LYS A 87 -0.530 10.818 -1.398 1.00 0.00 C ATOM 306 O LYS A 87 0.182 10.713 -0.399 1.00 0.00 O ATOM 307 CB LYS A 87 -2.858 11.248 -0.600 1.00 0.00 C ATOM 308 CG LYS A 87 -4.270 11.365 -1.153 1.00 0.00 C ATOM 309 CD LYS A 87 -4.973 10.016 -1.195 1.00 0.00 C ATOM 310 CE LYS A 87 -6.355 10.086 -0.563 1.00 0.00 C ATOM 311 NZ LYS A 87 -7.431 10.173 -1.587 1.00 0.00 N ATOM 0 H LYS A 87 -1.640 8.893 0.130 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.317 10.238 -2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.910 10.908 0.434 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.399 12.237 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.846 12.056 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.233 11.787 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.061 9.683 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.370 9.274 -0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.515 9.204 0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.409 10.953 0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.354 10.015 -1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.417 11.116 -2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.275 9.449 -2.317 1.00 0.00 H new ATOM 325 N LEU A 88 -0.107 11.378 -2.523 1.00 0.00 N ATOM 326 CA LEU A 88 1.243 11.916 -2.637 1.00 0.00 C ATOM 327 C LEU A 88 1.229 13.326 -3.220 1.00 0.00 C ATOM 328 O LEU A 88 0.283 13.718 -3.902 1.00 0.00 O ATOM 329 CB LEU A 88 2.126 10.991 -3.476 1.00 0.00 C ATOM 330 CG LEU A 88 1.502 10.459 -4.764 1.00 0.00 C ATOM 331 CD1 LEU A 88 0.377 9.482 -4.459 1.00 0.00 C ATOM 332 CD2 LEU A 88 1.009 11.612 -5.603 1.00 0.00 C ATOM 0 H LEU A 88 -0.675 11.472 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 88 1.664 11.975 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.040 11.527 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.418 10.141 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 88 2.261 9.916 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.051 9.117 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.770 8.641 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.395 9.986 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.564 11.229 -6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.261 12.175 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.845 12.266 -5.850 1.00 0.00 H new ATOM 344 N ASN A 89 2.287 14.083 -2.945 1.00 0.00 N ATOM 345 CA ASN A 89 2.401 15.449 -3.441 1.00 0.00 C ATOM 346 C ASN A 89 2.557 15.464 -4.963 1.00 0.00 C ATOM 347 O ASN A 89 2.200 14.500 -5.639 1.00 0.00 O ATOM 348 CB ASN A 89 3.578 16.163 -2.764 1.00 0.00 C ATOM 349 CG ASN A 89 4.927 15.677 -3.261 1.00 0.00 C ATOM 350 OD1 ASN A 89 5.516 16.272 -4.162 1.00 0.00 O ATOM 351 ND2 ASN A 89 5.420 14.594 -2.672 1.00 0.00 N ATOM 0 H ASN A 89 3.078 13.772 -2.381 1.00 0.00 H new ATOM 0 HA ASN A 89 1.484 15.984 -3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.496 17.236 -2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.517 16.012 -1.686 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.324 14.222 -2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.895 14.134 -1.928 1.00 0.00 H new ATOM 358 N GLU A 90 3.081 16.562 -5.501 1.00 0.00 N ATOM 359 CA GLU A 90 3.269 16.694 -6.944 1.00 0.00 C ATOM 360 C GLU A 90 4.482 15.904 -7.444 1.00 0.00 C ATOM 361 O GLU A 90 4.846 15.999 -8.616 1.00 0.00 O ATOM 362 CB GLU A 90 3.425 18.168 -7.320 1.00 0.00 C ATOM 363 CG GLU A 90 4.651 18.824 -6.706 1.00 0.00 C ATOM 364 CD GLU A 90 4.491 20.324 -6.548 1.00 0.00 C ATOM 365 OE1 GLU A 90 4.133 20.991 -7.541 1.00 0.00 O ATOM 366 OE2 GLU A 90 4.725 20.831 -5.431 1.00 0.00 O ATOM 0 H GLU A 90 3.383 17.373 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 90 2.383 16.280 -7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.482 18.254 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.535 18.712 -7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.847 18.378 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.520 18.619 -7.331 1.00 0.00 H new ATOM 373 N LYS A 91 5.108 15.128 -6.561 1.00 0.00 N ATOM 374 CA LYS A 91 6.277 14.337 -6.937 1.00 0.00 C ATOM 375 C LYS A 91 5.948 12.845 -7.016 1.00 0.00 C ATOM 376 O LYS A 91 6.836 12.021 -7.232 1.00 0.00 O ATOM 377 CB LYS A 91 7.410 14.561 -5.934 1.00 0.00 C ATOM 378 CG LYS A 91 8.426 15.598 -6.385 1.00 0.00 C ATOM 379 CD LYS A 91 7.793 16.972 -6.532 1.00 0.00 C ATOM 380 CE LYS A 91 8.805 18.082 -6.297 1.00 0.00 C ATOM 381 NZ LYS A 91 9.223 18.731 -7.570 1.00 0.00 N ATOM 0 H LYS A 91 4.827 15.031 -5.585 1.00 0.00 H new ATOM 0 HA LYS A 91 6.593 14.667 -7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.984 14.873 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.922 13.615 -5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.242 15.647 -5.663 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.861 15.293 -7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.367 17.072 -7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.971 17.072 -5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.375 18.831 -5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.681 17.674 -5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.913 19.482 -7.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.657 18.022 -8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.391 19.143 -8.039 1.00 0.00 H new ATOM 395 N GLN A 92 4.675 12.499 -6.839 1.00 0.00 N ATOM 396 CA GLN A 92 4.253 11.102 -6.889 1.00 0.00 C ATOM 397 C GLN A 92 5.026 10.270 -5.868 1.00 0.00 C ATOM 398 O GLN A 92 5.542 9.198 -6.184 1.00 0.00 O ATOM 399 CB GLN A 92 4.461 10.534 -8.294 1.00 0.00 C ATOM 400 CG GLN A 92 3.437 11.025 -9.305 1.00 0.00 C ATOM 401 CD GLN A 92 4.061 11.854 -10.412 1.00 0.00 C ATOM 402 OE1 GLN A 92 4.322 13.045 -10.238 1.00 0.00 O ATOM 403 NE2 GLN A 92 4.302 11.228 -11.557 1.00 0.00 N ATOM 0 H GLN A 92 3.922 13.163 -6.661 1.00 0.00 H new ATOM 0 HA GLN A 92 3.192 11.056 -6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 92 5.459 10.801 -8.641 1.00 0.00 H new ATOM 0 HB3 GLN A 92 4.420 9.446 -8.247 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.924 10.168 -9.743 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.682 11.620 -8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.069 10.240 -11.657 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.720 11.735 -12.337 1.00 0.00 H new ATOM 412 N SER A 93 5.109 10.785 -4.646 1.00 0.00 N ATOM 413 CA SER A 93 5.828 10.112 -3.568 1.00 0.00 C ATOM 414 C SER A 93 4.984 9.040 -2.880 1.00 0.00 C ATOM 415 O SER A 93 5.356 8.537 -1.819 1.00 0.00 O ATOM 416 CB SER A 93 6.285 11.145 -2.540 1.00 0.00 C ATOM 417 OG SER A 93 7.693 11.303 -2.561 1.00 0.00 O ATOM 0 H SER A 93 4.685 11.672 -4.375 1.00 0.00 H new ATOM 0 HA SER A 93 6.688 9.610 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.806 12.102 -2.746 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.966 10.836 -1.544 1.00 0.00 H new ATOM 0 HG SER A 93 7.957 11.971 -1.894 1.00 0.00 H new ATOM 423 N CYS A 94 3.859 8.695 -3.493 1.00 0.00 N ATOM 424 CA CYS A 94 2.941 7.679 -2.964 1.00 0.00 C ATOM 425 C CYS A 94 2.981 7.588 -1.437 1.00 0.00 C ATOM 426 O CYS A 94 3.642 6.712 -0.880 1.00 0.00 O ATOM 427 CB CYS A 94 3.253 6.302 -3.565 1.00 0.00 C ATOM 428 SG CYS A 94 4.914 6.139 -4.268 1.00 0.00 S ATOM 0 H CYS A 94 3.551 9.109 -4.373 1.00 0.00 H new ATOM 0 HA CYS A 94 1.937 7.990 -3.253 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.126 5.546 -2.790 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.521 6.087 -4.344 1.00 0.00 H new ATOM 0 HG CYS A 94 5.642 5.393 -3.492 1.00 0.00 H new ATOM 434 N THR A 95 2.257 8.480 -0.764 1.00 0.00 N ATOM 435 CA THR A 95 2.209 8.465 0.693 1.00 0.00 C ATOM 436 C THR A 95 0.834 8.010 1.164 1.00 0.00 C ATOM 437 O THR A 95 -0.153 8.717 0.974 1.00 0.00 O ATOM 438 CB THR A 95 2.535 9.851 1.267 1.00 0.00 C ATOM 439 OG1 THR A 95 3.936 10.062 1.296 1.00 0.00 O ATOM 440 CG2 THR A 95 2.010 10.071 2.675 1.00 0.00 C ATOM 0 H THR A 95 1.701 9.215 -1.201 1.00 0.00 H new ATOM 0 HA THR A 95 2.960 7.763 1.054 1.00 0.00 H new ATOM 0 HB THR A 95 2.036 10.557 0.602 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.349 9.428 1.919 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.280 11.072 3.012 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.925 9.967 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.448 9.332 3.346 1.00 0.00 H new ATOM 448 N VAL A 96 0.783 6.833 1.782 1.00 0.00 N ATOM 449 CA VAL A 96 -0.470 6.276 2.295 1.00 0.00 C ATOM 450 C VAL A 96 -1.406 7.375 2.775 1.00 0.00 C ATOM 451 O VAL A 96 -0.956 8.407 3.273 1.00 0.00 O ATOM 452 CB VAL A 96 -0.208 5.308 3.450 1.00 0.00 C ATOM 453 CG1 VAL A 96 0.158 3.936 2.922 1.00 0.00 C ATOM 454 CG2 VAL A 96 0.883 5.857 4.332 1.00 0.00 C ATOM 0 H VAL A 96 1.599 6.242 1.941 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.941 5.739 1.472 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.117 5.203 4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.341 3.261 3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.661 3.549 2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.058 4.009 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.068 5.166 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.795 5.980 3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.576 6.823 4.732 1.00 0.00 H new ATOM 464 N ALA A 97 -2.703 7.171 2.601 1.00 0.00 N ATOM 465 CA ALA A 97 -3.671 8.178 2.996 1.00 0.00 C ATOM 466 C ALA A 97 -4.773 7.631 3.895 1.00 0.00 C ATOM 467 O ALA A 97 -5.325 8.366 4.713 1.00 0.00 O ATOM 468 CB ALA A 97 -4.289 8.801 1.759 1.00 0.00 C ATOM 0 H ALA A 97 -3.105 6.327 2.193 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.131 8.926 3.576 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.016 9.557 2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.508 9.265 1.157 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.788 8.029 1.173 1.00 0.00 H new ATOM 474 N ARG A 98 -5.121 6.359 3.733 1.00 0.00 N ATOM 475 CA ARG A 98 -6.194 5.781 4.539 1.00 0.00 C ATOM 476 C ARG A 98 -6.084 4.266 4.653 1.00 0.00 C ATOM 477 O ARG A 98 -5.270 3.631 3.984 1.00 0.00 O ATOM 478 CB ARG A 98 -7.567 6.151 3.955 1.00 0.00 C ATOM 479 CG ARG A 98 -7.528 7.224 2.872 1.00 0.00 C ATOM 480 CD ARG A 98 -8.920 7.535 2.346 1.00 0.00 C ATOM 481 NE ARG A 98 -9.779 8.107 3.381 1.00 0.00 N ATOM 482 CZ ARG A 98 -11.082 8.327 3.224 1.00 0.00 C ATOM 483 NH1 ARG A 98 -11.680 8.025 2.078 1.00 0.00 N ATOM 484 NH2 ARG A 98 -11.790 8.850 4.216 1.00 0.00 N ATOM 0 H ARG A 98 -4.688 5.719 3.067 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.093 6.200 5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.025 5.253 3.542 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.211 6.494 4.765 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.078 8.132 3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.894 6.891 2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.845 8.231 1.511 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.375 6.622 1.960 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.355 8.352 4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.140 7.622 1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.679 8.196 1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.336 9.083 5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.789 9.019 4.096 1.00 0.00 H new ATOM 498 N ILE A 99 -6.934 3.704 5.509 1.00 0.00 N ATOM 499 CA ILE A 99 -6.979 2.267 5.738 1.00 0.00 C ATOM 500 C ILE A 99 -8.325 1.875 6.344 1.00 0.00 C ATOM 501 O ILE A 99 -8.545 2.028 7.545 1.00 0.00 O ATOM 502 CB ILE A 99 -5.832 1.805 6.670 1.00 0.00 C ATOM 503 CG1 ILE A 99 -4.512 1.768 5.902 1.00 0.00 C ATOM 504 CG2 ILE A 99 -6.130 0.436 7.272 1.00 0.00 C ATOM 505 CD1 ILE A 99 -3.657 3.000 6.105 1.00 0.00 C ATOM 0 H ILE A 99 -7.609 4.233 6.061 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.853 1.772 4.775 1.00 0.00 H new ATOM 0 HB ILE A 99 -5.749 2.522 7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.946 0.889 6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.723 1.654 4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.307 0.137 7.922 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.051 0.487 7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.245 -0.296 6.472 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.736 2.903 5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.203 3.881 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.415 3.104 7.163 1.00 0.00 H new ATOM 517 N LEU A 100 -9.222 1.378 5.500 1.00 0.00 N ATOM 518 CA LEU A 100 -10.553 0.970 5.941 1.00 0.00 C ATOM 519 C LEU A 100 -10.479 0.108 7.200 1.00 0.00 C ATOM 520 O LEU A 100 -9.659 -0.805 7.296 1.00 0.00 O ATOM 521 CB LEU A 100 -11.262 0.207 4.817 1.00 0.00 C ATOM 522 CG LEU A 100 -12.513 -0.565 5.238 1.00 0.00 C ATOM 523 CD1 LEU A 100 -13.539 -0.573 4.113 1.00 0.00 C ATOM 524 CD2 LEU A 100 -12.146 -1.986 5.643 1.00 0.00 C ATOM 0 H LEU A 100 -9.052 1.247 4.503 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.123 1.867 6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.538 0.916 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.555 -0.494 4.374 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.957 -0.066 6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -14.423 -1.127 4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.821 0.452 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.109 -1.050 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.046 -2.524 5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.681 -2.496 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.448 -1.957 6.480 1.00 0.00 H new ATOM 585 N ILE A 105 -5.084 -4.513 6.566 1.00 0.00 N ATOM 586 CA ILE A 105 -4.078 -3.545 6.981 1.00 0.00 C ATOM 587 C ILE A 105 -4.399 -2.991 8.366 1.00 0.00 C ATOM 588 O ILE A 105 -3.594 -3.101 9.290 1.00 0.00 O ATOM 589 CB ILE A 105 -3.957 -2.376 5.981 1.00 0.00 C ATOM 590 CG1 ILE A 105 -3.471 -2.886 4.623 1.00 0.00 C ATOM 591 CG2 ILE A 105 -3.007 -1.316 6.518 1.00 0.00 C ATOM 592 CD1 ILE A 105 -4.532 -3.627 3.843 1.00 0.00 C ATOM 0 HA ILE A 105 -3.125 -4.073 7.010 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.942 -1.927 5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.120 -2.041 4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.617 -3.545 4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.932 -0.498 5.802 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.386 -0.934 7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.021 -1.755 6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.118 -3.960 2.891 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.867 -4.492 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.378 -2.964 3.659 1.00 0.00 H new ATOM 604 N HIS A 106 -5.580 -2.393 8.502 1.00 0.00 N ATOM 605 CA HIS A 106 -6.008 -1.825 9.778 1.00 0.00 C ATOM 606 C HIS A 106 -5.764 -2.807 10.922 1.00 0.00 C ATOM 607 O HIS A 106 -5.524 -2.403 12.060 1.00 0.00 O ATOM 608 CB HIS A 106 -7.491 -1.451 9.721 1.00 0.00 C ATOM 609 CG HIS A 106 -7.865 -0.348 10.662 1.00 0.00 C ATOM 610 ND1 HIS A 106 -8.222 -0.570 11.976 1.00 0.00 N ATOM 611 CD2 HIS A 106 -7.935 0.991 10.477 1.00 0.00 C ATOM 612 CE1 HIS A 106 -8.496 0.584 12.557 1.00 0.00 C ATOM 613 NE2 HIS A 106 -8.328 1.547 11.669 1.00 0.00 N ATOM 0 H HIS A 106 -6.257 -2.289 7.746 1.00 0.00 H new ATOM 0 HA HIS A 106 -5.419 -0.927 9.962 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -7.743 -1.151 8.704 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -8.089 -2.333 9.951 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -7.721 1.523 9.562 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -8.805 0.717 13.583 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -8.468 2.543 11.841 1.00 0.00 H new ATOM 622 N ARG A 107 -5.822 -4.098 10.607 1.00 0.00 N ATOM 623 CA ARG A 107 -5.599 -5.141 11.604 1.00 0.00 C ATOM 624 C ARG A 107 -4.112 -5.457 11.734 1.00 0.00 C ATOM 625 O ARG A 107 -3.650 -5.900 12.785 1.00 0.00 O ATOM 626 CB ARG A 107 -6.376 -6.407 11.231 1.00 0.00 C ATOM 627 CG ARG A 107 -7.578 -6.667 12.123 1.00 0.00 C ATOM 628 CD ARG A 107 -8.851 -6.091 11.525 1.00 0.00 C ATOM 629 NE ARG A 107 -9.907 -5.943 12.523 1.00 0.00 N ATOM 630 CZ ARG A 107 -9.929 -4.979 13.441 1.00 0.00 C ATOM 631 NH1 ARG A 107 -8.957 -4.078 13.492 1.00 0.00 N ATOM 632 NH2 ARG A 107 -10.928 -4.916 14.313 1.00 0.00 N ATOM 0 H ARG A 107 -6.021 -4.447 9.670 1.00 0.00 H new ATOM 0 HA ARG A 107 -5.959 -4.776 12.566 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.712 -6.326 10.197 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.704 -7.264 11.282 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.697 -7.740 12.270 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -7.405 -6.228 13.105 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.635 -5.120 11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -9.200 -6.740 10.722 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.672 -6.617 12.516 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.186 -4.121 12.825 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.980 -3.342 14.198 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.678 -5.606 14.280 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.945 -4.178 15.016 1.00 0.00 H new ATOM 646 N GLN A 108 -3.366 -5.222 10.656 1.00 0.00 N ATOM 647 CA GLN A 108 -1.927 -5.475 10.639 1.00 0.00 C ATOM 648 C GLN A 108 -1.254 -4.915 11.890 1.00 0.00 C ATOM 649 O GLN A 108 -0.563 -5.634 12.609 1.00 0.00 O ATOM 650 CB GLN A 108 -1.298 -4.857 9.385 1.00 0.00 C ATOM 651 CG GLN A 108 -0.284 -5.762 8.704 1.00 0.00 C ATOM 652 CD GLN A 108 -0.922 -6.990 8.085 1.00 0.00 C ATOM 653 OE1 GLN A 108 -1.916 -7.511 8.592 1.00 0.00 O ATOM 654 NE2 GLN A 108 -0.352 -7.461 6.982 1.00 0.00 N ATOM 0 H GLN A 108 -3.737 -4.855 9.779 1.00 0.00 H new ATOM 0 HA GLN A 108 -1.774 -6.554 10.624 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -2.088 -4.612 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -0.812 -3.920 9.657 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.238 -5.199 7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.465 -6.074 9.431 1.00 0.00 H new ATOM 0 HE21 GLN A 108 0.471 -6.998 6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -0.737 -8.286 6.521 1.00 0.00 H new ATOM 663 N GLY A 109 -1.463 -3.626 12.141 1.00 0.00 N ATOM 664 CA GLY A 109 -0.870 -2.991 13.304 1.00 0.00 C ATOM 665 C GLY A 109 0.468 -2.346 13.001 1.00 0.00 C ATOM 666 O GLY A 109 0.906 -1.445 13.717 1.00 0.00 O ATOM 0 H GLY A 109 -2.032 -3.010 11.560 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.554 -2.235 13.688 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.741 -3.733 14.092 1.00 0.00 H new ATOM 670 N SER A 110 1.122 -2.807 11.938 1.00 0.00 N ATOM 671 CA SER A 110 2.419 -2.269 11.545 1.00 0.00 C ATOM 672 C SER A 110 2.266 -1.216 10.451 1.00 0.00 C ATOM 673 O SER A 110 3.182 -0.997 9.660 1.00 0.00 O ATOM 674 CB SER A 110 3.332 -3.394 11.057 1.00 0.00 C ATOM 675 OG SER A 110 3.349 -4.472 11.976 1.00 0.00 O ATOM 0 H SER A 110 0.774 -3.552 11.334 1.00 0.00 H new ATOM 0 HA SER A 110 2.867 -1.796 12.419 1.00 0.00 H new ATOM 0 HB2 SER A 110 2.991 -3.747 10.084 1.00 0.00 H new ATOM 0 HB3 SER A 110 4.344 -3.012 10.921 1.00 0.00 H new ATOM 0 HG SER A 110 3.806 -5.239 11.572 1.00 0.00 H new ATOM 681 N LEU A 111 1.105 -0.568 10.411 1.00 0.00 N ATOM 682 CA LEU A 111 0.842 0.457 9.409 1.00 0.00 C ATOM 683 C LEU A 111 0.464 1.782 10.062 1.00 0.00 C ATOM 684 O LEU A 111 -0.342 1.823 10.992 1.00 0.00 O ATOM 685 CB LEU A 111 -0.272 0.000 8.462 1.00 0.00 C ATOM 686 CG LEU A 111 0.170 -0.265 7.022 1.00 0.00 C ATOM 687 CD1 LEU A 111 0.395 1.045 6.282 1.00 0.00 C ATOM 688 CD2 LEU A 111 1.427 -1.122 6.992 1.00 0.00 C ATOM 0 H LEU A 111 0.335 -0.735 11.059 1.00 0.00 H new ATOM 0 HA LEU A 111 1.757 0.610 8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.717 -0.911 8.862 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.054 0.760 8.452 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.626 -0.812 6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.709 0.836 5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.532 1.618 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.169 1.621 6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.723 -1.298 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.231 -0.607 7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.228 -2.076 7.480 1.00 0.00 H new ATOM 700 N HIS A 112 1.050 2.863 9.562 1.00 0.00 N ATOM 701 CA HIS A 112 0.778 4.195 10.084 1.00 0.00 C ATOM 702 C HIS A 112 0.559 5.181 8.943 1.00 0.00 C ATOM 703 O HIS A 112 1.513 5.640 8.317 1.00 0.00 O ATOM 704 CB HIS A 112 1.935 4.666 10.968 1.00 0.00 C ATOM 705 CG HIS A 112 1.873 4.138 12.367 1.00 0.00 C ATOM 706 ND1 HIS A 112 1.953 2.794 12.670 1.00 0.00 N ATOM 707 CD2 HIS A 112 1.737 4.780 13.552 1.00 0.00 C ATOM 708 CE1 HIS A 112 1.871 2.633 13.978 1.00 0.00 C ATOM 709 NE2 HIS A 112 1.740 3.822 14.537 1.00 0.00 N ATOM 0 H HIS A 112 1.719 2.842 8.793 1.00 0.00 H new ATOM 0 HA HIS A 112 -0.130 4.149 10.686 1.00 0.00 H new ATOM 0 HB2 HIS A 112 2.877 4.358 10.514 1.00 0.00 H new ATOM 0 HB3 HIS A 112 1.937 5.756 10.999 1.00 0.00 H new ATOM 0 HD2 HIS A 112 1.644 5.846 13.696 1.00 0.00 H new ATOM 0 HE1 HIS A 112 1.905 1.689 14.502 1.00 0.00 H new ATOM 0 HE2 HIS A 112 1.655 4.000 15.538 1.00 0.00 H new ATOM 718 N VAL A 113 -0.703 5.502 8.676 1.00 0.00 N ATOM 719 CA VAL A 113 -1.052 6.434 7.607 1.00 0.00 C ATOM 720 C VAL A 113 -0.157 7.667 7.632 1.00 0.00 C ATOM 721 O VAL A 113 0.215 8.158 8.697 1.00 0.00 O ATOM 722 CB VAL A 113 -2.525 6.872 7.705 1.00 0.00 C ATOM 723 CG1 VAL A 113 -2.927 7.675 6.477 1.00 0.00 C ATOM 724 CG2 VAL A 113 -3.432 5.660 7.884 1.00 0.00 C ATOM 0 H VAL A 113 -1.504 5.130 9.186 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.901 5.906 6.666 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.638 7.513 8.580 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.971 7.976 6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.299 8.563 6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -2.799 7.063 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.469 5.988 7.951 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.318 4.991 7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -3.158 5.133 8.798 1.00 0.00 H new ATOM 734 N GLY A 114 0.194 8.150 6.447 1.00 0.00 N ATOM 735 CA GLY A 114 1.055 9.311 6.345 1.00 0.00 C ATOM 736 C GLY A 114 2.492 8.940 6.027 1.00 0.00 C ATOM 737 O GLY A 114 3.352 9.814 5.919 1.00 0.00 O ATOM 0 H GLY A 114 -0.103 7.757 5.554 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.674 9.975 5.569 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.025 9.866 7.283 1.00 0.00 H new ATOM 741 N ASP A 115 2.757 7.643 5.867 1.00 0.00 N ATOM 742 CA ASP A 115 4.103 7.176 5.551 1.00 0.00 C ATOM 743 C ASP A 115 4.322 7.184 4.042 1.00 0.00 C ATOM 744 O ASP A 115 3.550 7.793 3.301 1.00 0.00 O ATOM 745 CB ASP A 115 4.332 5.770 6.114 1.00 0.00 C ATOM 746 CG ASP A 115 4.131 5.709 7.616 1.00 0.00 C ATOM 747 OD1 ASP A 115 3.744 6.738 8.208 1.00 0.00 O ATOM 748 OD2 ASP A 115 4.363 4.630 8.201 1.00 0.00 O ATOM 0 H ASP A 115 2.060 6.903 5.951 1.00 0.00 H new ATOM 0 HA ASP A 115 4.821 7.853 6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 115 3.649 5.072 5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.344 5.445 5.872 1.00 0.00 H new ATOM 753 N GLU A 116 5.373 6.513 3.583 1.00 0.00 N ATOM 754 CA GLU A 116 5.667 6.464 2.157 1.00 0.00 C ATOM 755 C GLU A 116 5.805 5.026 1.668 1.00 0.00 C ATOM 756 O GLU A 116 6.310 4.155 2.382 1.00 0.00 O ATOM 757 CB GLU A 116 6.937 7.263 1.844 1.00 0.00 C ATOM 758 CG GLU A 116 8.230 6.507 2.114 1.00 0.00 C ATOM 759 CD GLU A 116 9.196 7.292 2.981 1.00 0.00 C ATOM 760 OE1 GLU A 116 8.774 7.774 4.053 1.00 0.00 O ATOM 761 OE2 GLU A 116 10.373 7.424 2.587 1.00 0.00 O ATOM 0 H GLU A 116 6.029 6.000 4.172 1.00 0.00 H new ATOM 0 HA GLU A 116 4.829 6.917 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 116 6.916 7.562 0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 116 6.933 8.178 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 116 7.998 5.560 2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.711 6.268 1.166 1.00 0.00 H new ATOM 768 N ILE A 117 5.356 4.796 0.440 1.00 0.00 N ATOM 769 CA ILE A 117 5.422 3.479 -0.180 1.00 0.00 C ATOM 770 C ILE A 117 6.402 3.500 -1.352 1.00 0.00 C ATOM 771 O ILE A 117 6.143 4.130 -2.377 1.00 0.00 O ATOM 772 CB ILE A 117 4.026 3.028 -0.670 1.00 0.00 C ATOM 773 CG1 ILE A 117 3.076 2.869 0.517 1.00 0.00 C ATOM 774 CG2 ILE A 117 4.122 1.726 -1.454 1.00 0.00 C ATOM 775 CD1 ILE A 117 1.641 2.609 0.111 1.00 0.00 C ATOM 0 H ILE A 117 4.938 5.514 -0.152 1.00 0.00 H new ATOM 0 HA ILE A 117 5.770 2.767 0.569 1.00 0.00 H new ATOM 0 HB ILE A 117 3.630 3.795 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 117 3.423 2.046 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.115 3.772 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 117 3.128 1.428 -1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 117 4.768 1.869 -2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.538 0.947 -0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 117 1.023 2.507 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 117 1.276 3.442 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 117 1.589 1.690 -0.474 1.00 0.00 H new ATOM 787 N LEU A 118 7.537 2.829 -1.182 1.00 0.00 N ATOM 788 CA LEU A 118 8.568 2.791 -2.216 1.00 0.00 C ATOM 789 C LEU A 118 8.238 1.789 -3.317 1.00 0.00 C ATOM 790 O LEU A 118 8.565 2.010 -4.484 1.00 0.00 O ATOM 791 CB LEU A 118 9.923 2.452 -1.594 1.00 0.00 C ATOM 792 CG LEU A 118 9.985 1.114 -0.851 1.00 0.00 C ATOM 793 CD1 LEU A 118 11.157 0.281 -1.348 1.00 0.00 C ATOM 794 CD2 LEU A 118 10.093 1.342 0.650 1.00 0.00 C ATOM 0 H LEU A 118 7.767 2.304 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 118 8.610 3.780 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 118 10.675 2.446 -2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 118 10.195 3.247 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 118 9.064 0.567 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.185 -0.666 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.040 0.088 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.087 0.823 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 118 10.136 0.381 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 118 10.998 1.910 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 118 9.223 1.899 0.997 1.00 0.00 H new ATOM 806 N GLU A 119 7.595 0.688 -2.949 1.00 0.00 N ATOM 807 CA GLU A 119 7.234 -0.335 -3.917 1.00 0.00 C ATOM 808 C GLU A 119 6.393 -1.423 -3.272 1.00 0.00 C ATOM 809 O GLU A 119 6.668 -1.866 -2.157 1.00 0.00 O ATOM 810 CB GLU A 119 8.487 -0.949 -4.538 1.00 0.00 C ATOM 811 CG GLU A 119 9.425 -1.575 -3.520 1.00 0.00 C ATOM 812 CD GLU A 119 10.846 -1.695 -4.032 1.00 0.00 C ATOM 813 OE1 GLU A 119 11.409 -0.668 -4.470 1.00 0.00 O ATOM 814 OE2 GLU A 119 11.398 -2.814 -3.997 1.00 0.00 O ATOM 0 H GLU A 119 7.314 0.483 -1.990 1.00 0.00 H new ATOM 0 HA GLU A 119 6.644 0.140 -4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.189 -1.709 -5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 119 9.025 -0.178 -5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.420 -0.975 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 119 9.055 -2.564 -3.251 1.00 0.00 H new ATOM 821 N ILE A 120 5.368 -1.849 -3.991 1.00 0.00 N ATOM 822 CA ILE A 120 4.469 -2.894 -3.505 1.00 0.00 C ATOM 823 C ILE A 120 4.553 -4.145 -4.370 1.00 0.00 C ATOM 824 O ILE A 120 4.777 -4.073 -5.574 1.00 0.00 O ATOM 825 CB ILE A 120 2.996 -2.416 -3.421 1.00 0.00 C ATOM 826 CG1 ILE A 120 2.229 -2.682 -4.725 1.00 0.00 C ATOM 827 CG2 ILE A 120 2.939 -0.942 -3.065 1.00 0.00 C ATOM 828 CD1 ILE A 120 2.883 -2.114 -5.962 1.00 0.00 C ATOM 0 H ILE A 120 5.134 -1.489 -4.916 1.00 0.00 H new ATOM 0 HA ILE A 120 4.802 -3.135 -2.496 1.00 0.00 H new ATOM 0 HB ILE A 120 2.510 -2.993 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 120 2.115 -3.759 -4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 120 1.227 -2.263 -4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 120 1.899 -0.621 -3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 120 3.420 -0.782 -2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 120 3.457 -0.363 -3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.275 -2.348 -6.835 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.973 -1.032 -5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 120 3.874 -2.551 -6.083 1.00 0.00 H new ATOM 840 N ASN A 121 4.368 -5.294 -3.739 1.00 0.00 N ATOM 841 CA ASN A 121 4.418 -6.580 -4.438 1.00 0.00 C ATOM 842 C ASN A 121 5.575 -6.637 -5.438 1.00 0.00 C ATOM 843 O ASN A 121 5.487 -7.321 -6.459 1.00 0.00 O ATOM 844 CB ASN A 121 3.099 -6.844 -5.162 1.00 0.00 C ATOM 845 CG ASN A 121 2.754 -8.319 -5.205 1.00 0.00 C ATOM 846 OD1 ASN A 121 1.989 -8.718 -6.214 1.00 0.00 O flip ATOM 847 ND2 ASN A 121 3.170 -9.091 -4.342 1.00 0.00 N flip ATOM 0 H ASN A 121 4.181 -5.368 -2.739 1.00 0.00 H new ATOM 0 HA ASN A 121 4.582 -7.352 -3.686 1.00 0.00 H new ATOM 0 HB2 ASN A 121 2.297 -6.300 -4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 121 3.161 -6.458 -6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 121 3.756 -8.741 -3.584 1.00 0.00 H new ATOM 0 HD22 ASN A 121 2.929 -10.081 -4.385 1.00 0.00 H new ATOM 854 N GLY A 122 6.656 -5.919 -5.143 1.00 0.00 N ATOM 855 CA GLY A 122 7.805 -5.912 -6.032 1.00 0.00 C ATOM 856 C GLY A 122 7.624 -4.979 -7.215 1.00 0.00 C ATOM 857 O GLY A 122 8.178 -5.211 -8.289 1.00 0.00 O ATOM 0 H GLY A 122 6.757 -5.344 -4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 122 8.691 -5.614 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 122 7.984 -6.924 -6.396 1.00 0.00 H new ATOM 861 N THR A 123 6.846 -3.919 -7.018 1.00 0.00 N ATOM 862 CA THR A 123 6.591 -2.945 -8.073 1.00 0.00 C ATOM 863 C THR A 123 7.095 -1.566 -7.661 1.00 0.00 C ATOM 864 O THR A 123 6.642 -1.002 -6.663 1.00 0.00 O ATOM 865 CB THR A 123 5.090 -2.892 -8.403 1.00 0.00 C ATOM 866 OG1 THR A 123 4.773 -3.821 -9.424 1.00 0.00 O ATOM 867 CG2 THR A 123 4.601 -1.529 -8.862 1.00 0.00 C ATOM 0 H THR A 123 6.380 -3.713 -6.134 1.00 0.00 H new ATOM 0 HA THR A 123 7.131 -3.256 -8.967 1.00 0.00 H new ATOM 0 HB THR A 123 4.590 -3.132 -7.464 1.00 0.00 H new ATOM 0 HG1 THR A 123 3.814 -3.776 -9.621 1.00 0.00 H new ATOM 0 HG21 THR A 123 3.533 -1.578 -9.074 1.00 0.00 H new ATOM 0 HG22 THR A 123 4.782 -0.794 -8.077 1.00 0.00 H new ATOM 0 HG23 THR A 123 5.137 -1.235 -9.764 1.00 0.00 H new ATOM 875 N ASN A 124 8.026 -1.029 -8.444 1.00 0.00 N ATOM 876 CA ASN A 124 8.585 0.287 -8.169 1.00 0.00 C ATOM 877 C ASN A 124 7.500 1.354 -8.264 1.00 0.00 C ATOM 878 O ASN A 124 7.345 2.009 -9.295 1.00 0.00 O ATOM 879 CB ASN A 124 9.721 0.598 -9.148 1.00 0.00 C ATOM 880 CG ASN A 124 10.978 1.067 -8.442 1.00 0.00 C ATOM 881 OD1 ASN A 124 11.413 0.310 -7.440 1.00 0.00 O flip ATOM 882 ND2 ASN A 124 11.554 2.097 -8.794 1.00 0.00 N flip ATOM 0 H ASN A 124 8.408 -1.486 -9.272 1.00 0.00 H new ATOM 0 HA ASN A 124 8.988 0.288 -7.156 1.00 0.00 H new ATOM 0 HB2 ASN A 124 9.947 -0.293 -9.733 1.00 0.00 H new ATOM 0 HB3 ASN A 124 9.393 1.365 -9.849 1.00 0.00 H new ATOM 0 HD21 ASN A 124 11.185 2.648 -9.569 1.00 0.00 H new ATOM 0 HD22 ASN A 124 12.400 2.399 -8.311 1.00 0.00 H new ATOM 889 N VAL A 125 6.749 1.519 -7.181 1.00 0.00 N ATOM 890 CA VAL A 125 5.678 2.497 -7.135 1.00 0.00 C ATOM 891 C VAL A 125 6.222 3.921 -7.107 1.00 0.00 C ATOM 892 O VAL A 125 5.466 4.885 -7.220 1.00 0.00 O ATOM 893 CB VAL A 125 4.780 2.269 -5.909 1.00 0.00 C ATOM 894 CG1 VAL A 125 4.323 0.821 -5.849 1.00 0.00 C ATOM 895 CG2 VAL A 125 5.506 2.660 -4.637 1.00 0.00 C ATOM 0 H VAL A 125 6.866 0.983 -6.321 1.00 0.00 H new ATOM 0 HA VAL A 125 5.088 2.368 -8.042 1.00 0.00 H new ATOM 0 HB VAL A 125 3.897 2.902 -6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.688 0.676 -4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 125 3.760 0.579 -6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.193 0.168 -5.778 1.00 0.00 H new ATOM 0 HG21 VAL A 125 4.854 2.492 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.407 2.056 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 125 5.779 3.714 -4.683 1.00 0.00 H new ATOM 905 N THR A 126 7.536 4.047 -6.953 1.00 0.00 N ATOM 906 CA THR A 126 8.169 5.354 -6.906 1.00 0.00 C ATOM 907 C THR A 126 8.486 5.869 -8.311 1.00 0.00 C ATOM 908 O THR A 126 9.543 6.460 -8.538 1.00 0.00 O ATOM 909 CB THR A 126 9.449 5.292 -6.071 1.00 0.00 C ATOM 910 OG1 THR A 126 10.139 4.077 -6.301 1.00 0.00 O ATOM 911 CG2 THR A 126 9.200 5.402 -4.583 1.00 0.00 C ATOM 0 H THR A 126 8.179 3.261 -6.859 1.00 0.00 H new ATOM 0 HA THR A 126 7.469 6.048 -6.440 1.00 0.00 H new ATOM 0 HB THR A 126 10.041 6.150 -6.388 1.00 0.00 H new ATOM 0 HG1 THR A 126 9.787 3.383 -5.705 1.00 0.00 H new ATOM 0 HG21 THR A 126 10.150 5.351 -4.050 1.00 0.00 H new ATOM 0 HG22 THR A 126 8.712 6.352 -4.365 1.00 0.00 H new ATOM 0 HG23 THR A 126 8.558 4.582 -4.260 1.00 0.00 H new ATOM 919 N ASN A 127 7.568 5.644 -9.248 1.00 0.00 N ATOM 920 CA ASN A 127 7.755 6.088 -10.625 1.00 0.00 C ATOM 921 C ASN A 127 6.413 6.229 -11.338 1.00 0.00 C ATOM 922 O ASN A 127 6.160 7.225 -12.016 1.00 0.00 O ATOM 923 CB ASN A 127 8.642 5.100 -11.386 1.00 0.00 C ATOM 924 CG ASN A 127 9.983 4.884 -10.712 1.00 0.00 C ATOM 925 OD1 ASN A 127 10.026 3.955 -9.764 1.00 0.00 O flip ATOM 926 ND2 ASN A 127 10.969 5.545 -11.039 1.00 0.00 N flip ATOM 0 H ASN A 127 6.688 5.157 -9.078 1.00 0.00 H new ATOM 0 HA ASN A 127 8.242 7.063 -10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 127 8.125 4.145 -11.472 1.00 0.00 H new ATOM 0 HB3 ASN A 127 8.804 5.468 -12.399 1.00 0.00 H new ATOM 0 HD21 ASN A 127 10.891 6.249 -11.773 1.00 0.00 H new ATOM 0 HD22 ASN A 127 11.864 5.389 -10.576 1.00 0.00 H new ATOM 933 N HIS A 128 5.556 5.225 -11.182 1.00 0.00 N ATOM 934 CA HIS A 128 4.238 5.233 -11.812 1.00 0.00 C ATOM 935 C HIS A 128 3.227 5.982 -10.952 1.00 0.00 C ATOM 936 O HIS A 128 3.453 6.203 -9.762 1.00 0.00 O ATOM 937 CB HIS A 128 3.744 3.801 -12.050 1.00 0.00 C ATOM 938 CG HIS A 128 4.843 2.801 -12.242 1.00 0.00 C ATOM 939 ND1 HIS A 128 5.787 2.902 -13.242 1.00 0.00 N ATOM 940 CD2 HIS A 128 5.145 1.676 -11.553 1.00 0.00 C ATOM 941 CE1 HIS A 128 6.622 1.881 -13.160 1.00 0.00 C ATOM 942 NE2 HIS A 128 6.255 1.123 -12.143 1.00 0.00 N ATOM 0 H HIS A 128 5.750 4.394 -10.624 1.00 0.00 H new ATOM 0 HA HIS A 128 4.333 5.744 -12.770 1.00 0.00 H new ATOM 0 HB2 HIS A 128 3.131 3.494 -11.203 1.00 0.00 H new ATOM 0 HB3 HIS A 128 3.100 3.791 -12.929 1.00 0.00 H new ATOM 0 HD2 HIS A 128 4.612 1.286 -10.698 1.00 0.00 H new ATOM 0 HE1 HIS A 128 7.462 1.698 -13.814 1.00 0.00 H new ATOM 0 HE2 HIS A 128 6.720 0.266 -11.844 1.00 0.00 H new ATOM 951 N SER A 129 2.106 6.359 -11.558 1.00 0.00 N ATOM 952 CA SER A 129 1.057 7.070 -10.839 1.00 0.00 C ATOM 953 C SER A 129 0.401 6.153 -9.819 1.00 0.00 C ATOM 954 O SER A 129 0.426 4.932 -9.965 1.00 0.00 O ATOM 955 CB SER A 129 -0.002 7.595 -11.805 1.00 0.00 C ATOM 956 OG SER A 129 0.592 8.166 -12.956 1.00 0.00 O ATOM 0 H SER A 129 1.902 6.184 -12.542 1.00 0.00 H new ATOM 0 HA SER A 129 1.515 7.915 -10.324 1.00 0.00 H new ATOM 0 HB2 SER A 129 -0.664 6.781 -12.100 1.00 0.00 H new ATOM 0 HB3 SER A 129 -0.618 8.341 -11.303 1.00 0.00 H new ATOM 0 HG SER A 129 -0.109 8.492 -13.558 1.00 0.00 H new ATOM 962 N VAL A 130 -0.186 6.741 -8.789 1.00 0.00 N ATOM 963 CA VAL A 130 -0.842 5.962 -7.750 1.00 0.00 C ATOM 964 C VAL A 130 -1.973 5.112 -8.322 1.00 0.00 C ATOM 965 O VAL A 130 -2.084 3.929 -8.008 1.00 0.00 O ATOM 966 CB VAL A 130 -1.381 6.861 -6.624 1.00 0.00 C ATOM 967 CG1 VAL A 130 -2.286 7.948 -7.185 1.00 0.00 C ATOM 968 CG2 VAL A 130 -2.111 6.038 -5.573 1.00 0.00 C ATOM 0 H VAL A 130 -0.222 7.751 -8.650 1.00 0.00 H new ATOM 0 HA VAL A 130 -0.087 5.298 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 130 -0.530 7.344 -6.143 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -2.655 8.571 -6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.723 8.564 -7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -3.129 7.489 -7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -2.482 6.697 -4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -2.949 5.517 -6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -1.425 5.309 -5.141 1.00 0.00 H new ATOM 978 N ASP A 131 -2.805 5.712 -9.168 1.00 0.00 N ATOM 979 CA ASP A 131 -3.915 4.986 -9.780 1.00 0.00 C ATOM 980 C ASP A 131 -3.410 3.713 -10.447 1.00 0.00 C ATOM 981 O ASP A 131 -4.097 2.691 -10.461 1.00 0.00 O ATOM 982 CB ASP A 131 -4.633 5.869 -10.802 1.00 0.00 C ATOM 983 CG ASP A 131 -5.553 6.880 -10.148 1.00 0.00 C ATOM 984 OD1 ASP A 131 -5.956 6.652 -8.988 1.00 0.00 O ATOM 985 OD2 ASP A 131 -5.871 7.900 -10.794 1.00 0.00 O ATOM 0 H ASP A 131 -2.734 6.691 -9.444 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.623 4.714 -8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.894 6.393 -11.408 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -5.211 5.240 -11.479 1.00 0.00 H new ATOM 990 N GLN A 132 -2.197 3.781 -10.982 1.00 0.00 N ATOM 991 CA GLN A 132 -1.589 2.631 -11.631 1.00 0.00 C ATOM 992 C GLN A 132 -1.269 1.557 -10.600 1.00 0.00 C ATOM 993 O GLN A 132 -1.570 0.384 -10.801 1.00 0.00 O ATOM 994 CB GLN A 132 -0.314 3.043 -12.370 1.00 0.00 C ATOM 995 CG GLN A 132 -0.557 4.031 -13.500 1.00 0.00 C ATOM 996 CD GLN A 132 -0.844 3.346 -14.822 1.00 0.00 C ATOM 997 OE1 GLN A 132 0.065 3.091 -15.612 1.00 0.00 O ATOM 998 NE2 GLN A 132 -2.113 3.043 -15.067 1.00 0.00 N ATOM 0 H GLN A 132 -1.617 4.620 -10.978 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.297 2.229 -12.356 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.383 3.484 -11.657 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.165 2.152 -12.775 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.396 4.676 -13.240 1.00 0.00 H new ATOM 0 HG3 GLN A 132 0.317 4.673 -13.610 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -2.834 3.273 -14.383 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -2.367 2.580 -15.939 1.00 0.00 H new ATOM 1007 N LEU A 133 -0.662 1.974 -9.490 1.00 0.00 N ATOM 1008 CA LEU A 133 -0.302 1.051 -8.420 1.00 0.00 C ATOM 1009 C LEU A 133 -1.539 0.430 -7.792 1.00 0.00 C ATOM 1010 O LEU A 133 -1.633 -0.788 -7.668 1.00 0.00 O ATOM 1011 CB LEU A 133 0.499 1.764 -7.343 1.00 0.00 C ATOM 1012 CG LEU A 133 1.950 2.060 -7.686 1.00 0.00 C ATOM 1013 CD1 LEU A 133 2.617 0.863 -8.351 1.00 0.00 C ATOM 1014 CD2 LEU A 133 2.018 3.276 -8.574 1.00 0.00 C ATOM 0 H LEU A 133 -0.410 2.946 -9.310 1.00 0.00 H new ATOM 0 HA LEU A 133 0.306 0.261 -8.862 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.001 2.705 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.476 1.158 -6.438 1.00 0.00 H new ATOM 0 HG LEU A 133 2.494 2.261 -6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.654 1.107 -8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.588 0.008 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.087 0.616 -9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.058 3.489 -8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.459 3.089 -9.491 1.00 0.00 H new ATOM 0 HD23 LEU A 133 1.586 4.131 -8.054 1.00 0.00 H new ATOM 1026 N GLN A 134 -2.494 1.276 -7.398 1.00 0.00 N ATOM 1027 CA GLN A 134 -3.730 0.796 -6.790 1.00 0.00 C ATOM 1028 C GLN A 134 -4.267 -0.377 -7.598 1.00 0.00 C ATOM 1029 O GLN A 134 -4.522 -1.459 -7.062 1.00 0.00 O ATOM 1030 CB GLN A 134 -4.766 1.921 -6.722 1.00 0.00 C ATOM 1031 CG GLN A 134 -4.399 3.026 -5.742 1.00 0.00 C ATOM 1032 CD GLN A 134 -4.585 2.611 -4.296 1.00 0.00 C ATOM 1033 OE1 GLN A 134 -3.547 2.026 -3.710 1.00 0.00 O flip ATOM 1034 NE2 GLN A 134 -5.650 2.814 -3.713 1.00 0.00 N flip ATOM 0 H GLN A 134 -2.433 2.290 -7.490 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.525 0.465 -5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.887 2.353 -7.715 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -5.730 1.500 -6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -3.361 3.317 -5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.011 3.904 -5.945 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -6.421 3.267 -4.203 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -5.761 2.529 -2.740 1.00 0.00 H new ATOM 1043 N LYS A 135 -4.386 -0.170 -8.905 1.00 0.00 N ATOM 1044 CA LYS A 135 -4.836 -1.226 -9.788 1.00 0.00 C ATOM 1045 C LYS A 135 -3.733 -2.273 -9.911 1.00 0.00 C ATOM 1046 O LYS A 135 -4.005 -3.467 -10.042 1.00 0.00 O ATOM 1047 CB LYS A 135 -5.204 -0.662 -11.161 1.00 0.00 C ATOM 1048 CG LYS A 135 -5.520 -1.734 -12.188 1.00 0.00 C ATOM 1049 CD LYS A 135 -4.310 -2.033 -13.055 1.00 0.00 C ATOM 1050 CE LYS A 135 -4.627 -3.073 -14.117 1.00 0.00 C ATOM 1051 NZ LYS A 135 -3.611 -3.082 -15.205 1.00 0.00 N ATOM 0 H LYS A 135 -4.178 0.714 -9.368 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.730 -1.690 -9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -6.067 -0.004 -11.056 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -4.380 -0.050 -11.527 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -5.842 -2.644 -11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -6.349 -1.408 -12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -3.969 -1.115 -13.534 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -3.492 -2.389 -12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -4.674 -4.060 -13.656 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -5.611 -2.871 -14.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -3.733 -3.936 -15.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -3.732 -2.238 -15.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -2.658 -3.079 -14.790 1.00 0.00 H new ATOM 1065 N ALA A 136 -2.479 -1.814 -9.836 1.00 0.00 N ATOM 1066 CA ALA A 136 -1.329 -2.708 -9.906 1.00 0.00 C ATOM 1067 C ALA A 136 -1.392 -3.736 -8.784 1.00 0.00 C ATOM 1068 O ALA A 136 -0.928 -4.866 -8.929 1.00 0.00 O ATOM 1069 CB ALA A 136 -0.035 -1.916 -9.817 1.00 0.00 C ATOM 0 H ALA A 136 -2.240 -0.828 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 136 -1.353 -3.229 -10.863 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.813 -2.598 -9.871 1.00 0.00 H new ATOM 0 HB2 ALA A 136 0.016 -1.208 -10.644 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -0.005 -1.373 -8.872 1.00 0.00 H new ATOM 1075 N MET A 137 -1.990 -3.333 -7.668 1.00 0.00 N ATOM 1076 CA MET A 137 -2.145 -4.215 -6.525 1.00 0.00 C ATOM 1077 C MET A 137 -3.222 -5.238 -6.842 1.00 0.00 C ATOM 1078 O MET A 137 -3.034 -6.440 -6.657 1.00 0.00 O ATOM 1079 CB MET A 137 -2.519 -3.420 -5.273 1.00 0.00 C ATOM 1080 CG MET A 137 -1.458 -2.417 -4.849 1.00 0.00 C ATOM 1081 SD MET A 137 -2.062 -1.245 -3.620 1.00 0.00 S ATOM 1082 CE MET A 137 -2.124 -2.284 -2.164 1.00 0.00 C ATOM 0 H MET A 137 -2.375 -2.398 -7.534 1.00 0.00 H new ATOM 0 HA MET A 137 -1.200 -4.721 -6.327 1.00 0.00 H new ATOM 0 HB2 MET A 137 -3.455 -2.891 -5.455 1.00 0.00 H new ATOM 0 HB3 MET A 137 -2.699 -4.114 -4.452 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.599 -2.952 -4.444 1.00 0.00 H new ATOM 0 HG3 MET A 137 -1.109 -1.871 -5.725 1.00 0.00 H new ATOM 0 HE1 MET A 137 -3.160 -2.541 -1.944 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.554 -3.196 -2.343 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.696 -1.749 -1.317 1.00 0.00 H new ATOM 1092 N LYS A 138 -4.343 -4.743 -7.360 1.00 0.00 N ATOM 1093 CA LYS A 138 -5.448 -5.609 -7.751 1.00 0.00 C ATOM 1094 C LYS A 138 -5.020 -6.487 -8.924 1.00 0.00 C ATOM 1095 O LYS A 138 -5.592 -7.551 -9.166 1.00 0.00 O ATOM 1096 CB LYS A 138 -6.667 -4.770 -8.145 1.00 0.00 C ATOM 1097 CG LYS A 138 -7.950 -5.577 -8.255 1.00 0.00 C ATOM 1098 CD LYS A 138 -8.818 -5.091 -9.404 1.00 0.00 C ATOM 1099 CE LYS A 138 -10.288 -5.385 -9.155 1.00 0.00 C ATOM 1100 NZ LYS A 138 -10.922 -4.353 -8.289 1.00 0.00 N ATOM 0 H LYS A 138 -4.509 -3.749 -7.518 1.00 0.00 H new ATOM 0 HA LYS A 138 -5.719 -6.242 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.807 -3.979 -7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -6.470 -4.284 -9.101 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -7.707 -6.630 -8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -8.507 -5.505 -7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -8.678 -4.018 -9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.501 -5.572 -10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -10.815 -5.433 -10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -10.388 -6.364 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -11.924 -4.590 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -10.436 -4.324 -7.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -10.850 -3.423 -8.748 1.00 0.00 H new ATOM 1114 N GLU A 139 -4.002 -6.024 -9.647 1.00 0.00 N ATOM 1115 CA GLU A 139 -3.470 -6.741 -10.796 1.00 0.00 C ATOM 1116 C GLU A 139 -2.965 -8.125 -10.395 1.00 0.00 C ATOM 1117 O GLU A 139 -3.535 -9.144 -10.783 1.00 0.00 O ATOM 1118 CB GLU A 139 -2.330 -5.933 -11.417 1.00 0.00 C ATOM 1119 CG GLU A 139 -2.691 -5.300 -12.747 1.00 0.00 C ATOM 1120 CD GLU A 139 -1.530 -5.284 -13.721 1.00 0.00 C ATOM 1121 OE1 GLU A 139 -0.547 -4.557 -13.463 1.00 0.00 O ATOM 1122 OE2 GLU A 139 -1.602 -5.999 -14.743 1.00 0.00 O ATOM 0 H GLU A 139 -3.526 -5.143 -9.451 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.271 -6.870 -11.524 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -2.029 -5.150 -10.721 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.467 -6.585 -11.556 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.524 -5.845 -13.190 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -3.032 -4.279 -12.578 1.00 0.00 H new ATOM 1129 N THR A 140 -1.885 -8.146 -9.619 1.00 0.00 N ATOM 1130 CA THR A 140 -1.285 -9.396 -9.163 1.00 0.00 C ATOM 1131 C THR A 140 -2.307 -10.280 -8.452 1.00 0.00 C ATOM 1132 O THR A 140 -3.353 -9.806 -8.009 1.00 0.00 O ATOM 1133 CB THR A 140 -0.098 -9.113 -8.236 1.00 0.00 C ATOM 1134 OG1 THR A 140 0.095 -7.718 -8.073 1.00 0.00 O ATOM 1135 CG2 THR A 140 1.202 -9.701 -8.740 1.00 0.00 C ATOM 0 H THR A 140 -1.406 -7.307 -9.292 1.00 0.00 H new ATOM 0 HA THR A 140 -0.930 -9.932 -10.043 1.00 0.00 H new ATOM 0 HB THR A 140 -0.352 -9.586 -7.288 1.00 0.00 H new ATOM 0 HG1 THR A 140 0.789 -7.560 -7.399 1.00 0.00 H new ATOM 0 HG21 THR A 140 2.003 -9.466 -8.040 1.00 0.00 H new ATOM 0 HG22 THR A 140 1.102 -10.783 -8.827 1.00 0.00 H new ATOM 0 HG23 THR A 140 1.438 -9.278 -9.717 1.00 0.00 H new ATOM 1143 N LYS A 141 -1.990 -11.571 -8.357 1.00 0.00 N ATOM 1144 CA LYS A 141 -2.862 -12.554 -7.710 1.00 0.00 C ATOM 1145 C LYS A 141 -3.548 -11.975 -6.468 1.00 0.00 C ATOM 1146 O LYS A 141 -4.678 -11.493 -6.545 1.00 0.00 O ATOM 1147 CB LYS A 141 -2.049 -13.803 -7.341 1.00 0.00 C ATOM 1148 CG LYS A 141 -2.786 -14.776 -6.429 1.00 0.00 C ATOM 1149 CD LYS A 141 -2.661 -16.208 -6.924 1.00 0.00 C ATOM 1150 CE LYS A 141 -3.829 -16.594 -7.817 1.00 0.00 C ATOM 1151 NZ LYS A 141 -3.411 -17.510 -8.913 1.00 0.00 N ATOM 0 H LYS A 141 -1.124 -11.965 -8.725 1.00 0.00 H new ATOM 0 HA LYS A 141 -3.647 -12.827 -8.416 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -1.766 -14.323 -8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -1.126 -13.492 -6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -2.385 -14.703 -5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -3.839 -14.499 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -1.727 -16.323 -7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -2.614 -16.886 -6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -4.601 -17.075 -7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -4.272 -15.694 -8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -4.236 -17.749 -9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -2.692 -17.042 -9.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -3.012 -18.380 -8.505 1.00 0.00 H new ATOM 1165 N GLY A 142 -2.864 -12.027 -5.327 1.00 0.00 N ATOM 1166 CA GLY A 142 -3.438 -11.507 -4.100 1.00 0.00 C ATOM 1167 C GLY A 142 -2.388 -11.143 -3.070 1.00 0.00 C ATOM 1168 O GLY A 142 -2.472 -10.096 -2.430 1.00 0.00 O ATOM 0 H GLY A 142 -1.927 -12.418 -5.232 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -4.037 -10.626 -4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -4.114 -12.250 -3.677 1.00 0.00 H new ATOM 1172 N MET A 143 -1.395 -12.011 -2.908 1.00 0.00 N ATOM 1173 CA MET A 143 -0.322 -11.774 -1.949 1.00 0.00 C ATOM 1174 C MET A 143 0.508 -10.563 -2.360 1.00 0.00 C ATOM 1175 O MET A 143 1.238 -10.608 -3.351 1.00 0.00 O ATOM 1176 CB MET A 143 0.573 -13.010 -1.835 1.00 0.00 C ATOM 1177 CG MET A 143 0.933 -13.629 -3.176 1.00 0.00 C ATOM 1178 SD MET A 143 2.309 -14.788 -3.058 1.00 0.00 S ATOM 1179 CE MET A 143 3.681 -13.732 -3.521 1.00 0.00 C ATOM 0 H MET A 143 -1.311 -12.884 -3.428 1.00 0.00 H new ATOM 0 HA MET A 143 -0.771 -11.573 -0.976 1.00 0.00 H new ATOM 0 HB2 MET A 143 1.490 -12.737 -1.313 1.00 0.00 H new ATOM 0 HB3 MET A 143 0.069 -13.758 -1.223 1.00 0.00 H new ATOM 0 HG2 MET A 143 0.062 -14.145 -3.579 1.00 0.00 H new ATOM 0 HG3 MET A 143 1.189 -12.837 -3.880 1.00 0.00 H new ATOM 0 HE1 MET A 143 4.607 -14.306 -3.496 1.00 0.00 H new ATOM 0 HE2 MET A 143 3.520 -13.347 -4.528 1.00 0.00 H new ATOM 0 HE3 MET A 143 3.751 -12.899 -2.821 1.00 0.00 H new ATOM 1189 N ILE A 144 0.392 -9.477 -1.600 1.00 0.00 N ATOM 1190 CA ILE A 144 1.134 -8.257 -1.902 1.00 0.00 C ATOM 1191 C ILE A 144 2.098 -7.888 -0.784 1.00 0.00 C ATOM 1192 O ILE A 144 1.793 -8.049 0.397 1.00 0.00 O ATOM 1193 CB ILE A 144 0.192 -7.063 -2.156 1.00 0.00 C ATOM 1194 CG1 ILE A 144 -0.800 -7.396 -3.268 1.00 0.00 C ATOM 1195 CG2 ILE A 144 0.990 -5.812 -2.510 1.00 0.00 C ATOM 1196 CD1 ILE A 144 -0.142 -7.873 -4.544 1.00 0.00 C ATOM 0 H ILE A 144 -0.205 -9.417 -0.775 1.00 0.00 H new ATOM 0 HA ILE A 144 1.701 -8.468 -2.809 1.00 0.00 H new ATOM 0 HB ILE A 144 -0.365 -6.865 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -1.486 -8.165 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -1.398 -6.512 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 144 0.306 -4.982 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 144 1.660 -5.563 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 144 1.575 -5.996 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -0.908 -8.091 -5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 144 0.523 -7.097 -4.923 1.00 0.00 H new ATOM 0 HD13 ILE A 144 0.434 -8.776 -4.341 1.00 0.00 H new ATOM 1208 N SER A 145 3.254 -7.373 -1.185 1.00 0.00 N ATOM 1209 CA SER A 145 4.292 -6.942 -0.254 1.00 0.00 C ATOM 1210 C SER A 145 4.527 -5.443 -0.407 1.00 0.00 C ATOM 1211 O SER A 145 5.184 -5.004 -1.350 1.00 0.00 O ATOM 1212 CB SER A 145 5.589 -7.706 -0.525 1.00 0.00 C ATOM 1213 OG SER A 145 5.757 -8.772 0.396 1.00 0.00 O ATOM 0 H SER A 145 3.499 -7.242 -2.166 1.00 0.00 H new ATOM 0 HA SER A 145 3.968 -7.151 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 145 5.578 -8.098 -1.542 1.00 0.00 H new ATOM 0 HB3 SER A 145 6.437 -7.025 -0.456 1.00 0.00 H new ATOM 0 HG SER A 145 6.592 -9.245 0.200 1.00 0.00 H new ATOM 1219 N LEU A 146 3.972 -4.657 0.508 1.00 0.00 N ATOM 1220 CA LEU A 146 4.108 -3.205 0.447 1.00 0.00 C ATOM 1221 C LEU A 146 5.313 -2.723 1.234 1.00 0.00 C ATOM 1222 O LEU A 146 5.360 -2.845 2.456 1.00 0.00 O ATOM 1223 CB LEU A 146 2.858 -2.521 1.001 1.00 0.00 C ATOM 1224 CG LEU A 146 1.528 -3.151 0.596 1.00 0.00 C ATOM 1225 CD1 LEU A 146 0.519 -3.034 1.730 1.00 0.00 C ATOM 1226 CD2 LEU A 146 1.000 -2.489 -0.668 1.00 0.00 C ATOM 0 H LEU A 146 3.425 -4.998 1.299 1.00 0.00 H new ATOM 0 HA LEU A 146 4.241 -2.944 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 146 2.921 -2.515 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 146 2.861 -1.481 0.676 1.00 0.00 H new ATOM 0 HG LEU A 146 1.687 -4.210 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -0.424 -3.488 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 146 0.901 -3.548 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 146 0.356 -1.982 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 146 0.051 -2.946 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 146 0.851 -1.425 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 146 1.719 -2.622 -1.476 1.00 0.00 H new ATOM 1238 N LYS A 147 6.274 -2.152 0.522 1.00 0.00 N ATOM 1239 CA LYS A 147 7.475 -1.627 1.150 1.00 0.00 C ATOM 1240 C LYS A 147 7.266 -0.170 1.545 1.00 0.00 C ATOM 1241 O LYS A 147 7.087 0.694 0.687 1.00 0.00 O ATOM 1242 CB LYS A 147 8.677 -1.748 0.213 1.00 0.00 C ATOM 1243 CG LYS A 147 9.107 -3.185 -0.043 1.00 0.00 C ATOM 1244 CD LYS A 147 10.450 -3.493 0.605 1.00 0.00 C ATOM 1245 CE LYS A 147 10.386 -4.748 1.463 1.00 0.00 C ATOM 1246 NZ LYS A 147 11.070 -5.900 0.813 1.00 0.00 N ATOM 0 H LYS A 147 6.244 -2.041 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 147 7.677 -2.215 2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 147 8.434 -1.275 -0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 147 9.516 -1.197 0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 147 8.350 -3.866 0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 147 9.172 -3.360 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 147 11.207 -3.619 -0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 147 10.760 -2.648 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 147 10.848 -4.550 2.430 1.00 0.00 H new ATOM 0 HE3 LYS A 147 9.344 -5.005 1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 11.004 -6.735 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 10.614 -6.105 -0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 12.071 -5.665 0.654 1.00 0.00 H new ATOM 1260 N VAL A 148 7.280 0.096 2.844 1.00 0.00 N ATOM 1261 CA VAL A 148 7.082 1.446 3.346 1.00 0.00 C ATOM 1262 C VAL A 148 8.136 1.806 4.383 1.00 0.00 C ATOM 1263 O VAL A 148 8.854 0.938 4.881 1.00 0.00 O ATOM 1264 CB VAL A 148 5.679 1.613 3.968 1.00 0.00 C ATOM 1265 CG1 VAL A 148 4.609 1.136 3.000 1.00 0.00 C ATOM 1266 CG2 VAL A 148 5.576 0.866 5.290 1.00 0.00 C ATOM 0 H VAL A 148 7.427 -0.607 3.569 1.00 0.00 H new ATOM 0 HA VAL A 148 7.174 2.119 2.494 1.00 0.00 H new ATOM 0 HB VAL A 148 5.520 2.673 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 148 3.626 1.261 3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 148 4.662 1.721 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 148 4.771 0.083 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 148 4.578 1.000 5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 148 5.760 -0.195 5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 148 6.316 1.258 5.988 1.00 0.00 H new ATOM 1276 N ILE A 149 8.221 3.088 4.709 1.00 0.00 N ATOM 1277 CA ILE A 149 9.185 3.557 5.693 1.00 0.00 C ATOM 1278 C ILE A 149 8.498 3.868 7.022 1.00 0.00 C ATOM 1279 O ILE A 149 7.400 4.425 7.048 1.00 0.00 O ATOM 1280 CB ILE A 149 9.947 4.801 5.175 1.00 0.00 C ATOM 1281 CG1 ILE A 149 11.151 4.359 4.346 1.00 0.00 C ATOM 1282 CG2 ILE A 149 10.391 5.702 6.322 1.00 0.00 C ATOM 1283 CD1 ILE A 149 10.842 4.190 2.875 1.00 0.00 C ATOM 0 H ILE A 149 7.635 3.820 4.307 1.00 0.00 H new ATOM 0 HA ILE A 149 9.908 2.758 5.858 1.00 0.00 H new ATOM 0 HB ILE A 149 9.270 5.380 4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 149 11.949 5.093 4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 149 11.527 3.415 4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 149 10.923 6.565 5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 149 9.517 6.040 6.878 1.00 0.00 H new ATOM 0 HG23 ILE A 149 11.051 5.146 6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 149 11.743 3.875 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 149 10.066 3.435 2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 149 10.495 5.138 2.465 1.00 0.00 H new ATOM 1295 N PRO A 150 9.141 3.509 8.148 1.00 0.00 N ATOM 1296 CA PRO A 150 8.594 3.748 9.485 1.00 0.00 C ATOM 1297 C PRO A 150 8.166 5.197 9.682 1.00 0.00 C ATOM 1298 O PRO A 150 8.868 6.123 9.277 1.00 0.00 O ATOM 1299 CB PRO A 150 9.755 3.396 10.431 1.00 0.00 C ATOM 1300 CG PRO A 150 10.960 3.262 9.558 1.00 0.00 C ATOM 1301 CD PRO A 150 10.449 2.846 8.211 1.00 0.00 C ATOM 0 HA PRO A 150 7.696 3.156 9.664 1.00 0.00 H new ATOM 0 HB2 PRO A 150 9.899 4.174 11.181 1.00 0.00 H new ATOM 0 HB3 PRO A 150 9.555 2.469 10.968 1.00 0.00 H new ATOM 0 HG2 PRO A 150 11.503 4.205 9.495 1.00 0.00 H new ATOM 0 HG3 PRO A 150 11.652 2.521 9.959 1.00 0.00 H new ATOM 0 HD2 PRO A 150 11.109 3.174 7.408 1.00 0.00 H new ATOM 0 HD3 PRO A 150 10.359 1.763 8.128 1.00 0.00 H new ATOM 1309 N ASN A 151 7.007 5.384 10.305 1.00 0.00 N ATOM 1310 CA ASN A 151 6.481 6.722 10.556 1.00 0.00 C ATOM 1311 C ASN A 151 7.363 7.477 11.545 1.00 0.00 C ATOM 1312 O ASN A 151 7.006 7.642 12.711 1.00 0.00 O ATOM 1313 CB ASN A 151 5.048 6.642 11.086 1.00 0.00 C ATOM 1314 CG ASN A 151 4.944 5.824 12.359 1.00 0.00 C ATOM 1315 OD1 ASN A 151 4.755 4.519 12.211 1.00 0.00 O flip ATOM 1316 ND2 ASN A 151 5.030 6.361 13.464 1.00 0.00 N flip ATOM 0 H ASN A 151 6.414 4.627 10.645 1.00 0.00 H new ATOM 0 HA ASN A 151 6.479 7.266 9.612 1.00 0.00 H new ATOM 0 HB2 ASN A 151 4.677 7.649 11.274 1.00 0.00 H new ATOM 0 HB3 ASN A 151 4.406 6.203 10.323 1.00 0.00 H new ATOM 0 HD21 ASN A 151 5.176 7.368 13.532 1.00 0.00 H new ATOM 0 HD22 ASN A 151 4.956 5.798 14.312 1.00 0.00 H new