USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 757 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 50 ASN : amide:sc= 0.0269 X(o=-1.5,f=-1.5) USER MOD Set 1.2: A 110 TYR OH : rot 135:sc= 0.06 USER MOD Set 1.3: A 112 HIS : no HD1:sc= -1.59 X(o=-1.5,f=-1.5) USER MOD Set 2.1: A 68 HIS : no HD1:sc= 0.463 K(o=0.48,f=-7.3!) USER MOD Set 2.2: A 88 TYR OH : rot 139:sc= 0.0186 USER MOD Set 3.1: A 76 ASN : amide:sc= 0.748 K(o=1.5,f=0.73) USER MOD Set 3.2: A 80 SER OG : rot 165:sc= 0.399 USER MOD Set 3.3: A 82 THR OG1 : rot 103:sc= 0.335 USER MOD Set 4.1: A 11 TYR OH : rot 180:sc= 0.174 USER MOD Set 4.2: A 17 THR OG1 : rot 142:sc= 1.39 USER MOD Set 4.3: A 34 ASN : amide:sc= -0.219 K(o=1.3,f=2) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0947 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.463 K(o=-0.46,f=-1.1) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -2.46 K(o=-2.5,f=-14!) USER MOD Single : A 12 THR OG1 : rot 86:sc= 0.551 USER MOD Single : A 15 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.028) USER MOD Single : A 16 CYS SG : rot -54:sc= 1.1 USER MOD Single : A 19 TYR OH : rot 180:sc=-0.00157 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.17) USER MOD Single : A 30 SER OG : rot -31:sc= -0.362! USER MOD Single : A 31 THR OG1 : rot -37:sc= 1.08 USER MOD Single : A 36 ASN : amide:sc= 0.0237 K(o=0.024,f=-2.6!) USER MOD Single : A 37 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.8) USER MOD Single : A 43 GLN : amide:sc= 1.21 K(o=1.2,f=-0.0048) USER MOD Single : A 48 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 51 HIS : no HD1:sc= -0.511 X(o=-0.51,f=-0.031) USER MOD Single : A 52 THR OG1 : rot -9:sc= 0.891 USER MOD Single : A 54 SER OG : rot 180:sc= -0.147 USER MOD Single : A 55 LYS NZ :NH3+ 169:sc=-0.00136 (180deg=-0.11) USER MOD Single : A 60 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.45) USER MOD Single : A 61 SER OG : rot 89:sc= 0.0877 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0637 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0341 USER MOD Single : A 84 SER OG : rot 150:sc= 1.21 USER MOD Single : A 86 MET CE :methyl -117:sc= -0.54 (180deg=-4.5!) USER MOD Single : A 87 ASN : amide:sc= -0.0118 K(o=-0.012,f=-3.4!) USER MOD Single : A 89 SER OG : rot -69:sc= 0.148 USER MOD Single : A 94 SER OG : rot 80:sc= 0.334 USER MOD Single : A 96 SER OG : rot 49:sc= 0.597 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.0745 X(o=0.074,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.305 X(o=0.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.466 -6.712 1.459 1.00 0.00 N ATOM 2 CA GLY A 1 -23.247 -5.878 1.316 1.00 0.00 C ATOM 3 C GLY A 1 -22.200 -6.251 2.343 1.00 0.00 C ATOM 4 O GLY A 1 -22.441 -7.105 3.193 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.603 -7.277 0.597 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.358 -7.347 2.276 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.292 -6.097 1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.836 -6.000 0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.509 -4.826 1.427 1.00 0.00 H new ATOM 10 N SER A 2 -21.039 -5.620 2.273 1.00 0.00 N ATOM 11 CA SER A 2 -19.968 -5.907 3.210 1.00 0.00 C ATOM 12 C SER A 2 -19.496 -4.623 3.885 1.00 0.00 C ATOM 13 O SER A 2 -19.335 -4.570 5.102 1.00 0.00 O ATOM 14 CB SER A 2 -18.804 -6.595 2.493 1.00 0.00 C ATOM 15 OG SER A 2 -17.829 -7.046 3.415 1.00 0.00 O ATOM 0 H SER A 2 -20.816 -4.907 1.578 1.00 0.00 H new ATOM 0 HA SER A 2 -20.348 -6.581 3.978 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.178 -7.439 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.347 -5.901 1.787 1.00 0.00 H new ATOM 0 HG SER A 2 -17.098 -7.483 2.930 1.00 0.00 H new ATOM 21 N SER A 3 -19.316 -3.575 3.093 1.00 0.00 N ATOM 22 CA SER A 3 -18.829 -2.304 3.610 1.00 0.00 C ATOM 23 C SER A 3 -19.997 -1.385 3.944 1.00 0.00 C ATOM 24 O SER A 3 -19.856 -0.165 3.975 1.00 0.00 O ATOM 25 CB SER A 3 -17.901 -1.645 2.586 1.00 0.00 C ATOM 26 OG SER A 3 -16.807 -2.493 2.280 1.00 0.00 O ATOM 0 H SER A 3 -19.500 -3.580 2.090 1.00 0.00 H new ATOM 0 HA SER A 3 -18.266 -2.487 4.525 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.458 -1.419 1.676 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.533 -0.697 2.979 1.00 0.00 H new ATOM 0 HG SER A 3 -16.227 -2.054 1.623 1.00 0.00 H new ATOM 32 N ILE A 4 -21.141 -1.992 4.224 1.00 0.00 N ATOM 33 CA ILE A 4 -22.380 -1.258 4.455 1.00 0.00 C ATOM 34 C ILE A 4 -22.572 -0.959 5.945 1.00 0.00 C ATOM 35 O ILE A 4 -23.366 -0.095 6.321 1.00 0.00 O ATOM 36 CB ILE A 4 -23.589 -2.066 3.918 1.00 0.00 C ATOM 37 CG1 ILE A 4 -23.375 -2.429 2.445 1.00 0.00 C ATOM 38 CG2 ILE A 4 -24.892 -1.295 4.084 1.00 0.00 C ATOM 39 CD1 ILE A 4 -23.249 -1.229 1.528 1.00 0.00 C ATOM 0 H ILE A 4 -21.238 -3.005 4.298 1.00 0.00 H new ATOM 0 HA ILE A 4 -22.316 -0.310 3.920 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.663 -2.982 4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -22.474 -3.036 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -24.209 -3.045 2.108 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -25.719 -1.891 3.697 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -25.059 -1.086 5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -24.832 -0.356 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -23.100 -1.568 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -24.159 -0.632 1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -22.398 -0.623 1.837 1.00 0.00 H new ATOM 51 N SER A 5 -21.821 -1.666 6.784 1.00 0.00 N ATOM 52 CA SER A 5 -21.962 -1.552 8.234 1.00 0.00 C ATOM 53 C SER A 5 -21.685 -0.126 8.721 1.00 0.00 C ATOM 54 O SER A 5 -22.553 0.518 9.310 1.00 0.00 O ATOM 55 CB SER A 5 -21.023 -2.545 8.917 1.00 0.00 C ATOM 56 OG SER A 5 -21.199 -3.845 8.376 1.00 0.00 O ATOM 0 H SER A 5 -21.105 -2.327 6.484 1.00 0.00 H new ATOM 0 HA SER A 5 -22.993 -1.787 8.497 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.989 -2.227 8.786 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.218 -2.561 9.989 1.00 0.00 H new ATOM 0 HG SER A 5 -20.590 -4.470 8.822 1.00 0.00 H new ATOM 62 N HIS A 6 -20.476 0.363 8.479 1.00 0.00 N ATOM 63 CA HIS A 6 -20.114 1.720 8.870 1.00 0.00 C ATOM 64 C HIS A 6 -19.268 2.362 7.775 1.00 0.00 C ATOM 65 O HIS A 6 -18.567 3.341 8.012 1.00 0.00 O ATOM 66 CB HIS A 6 -19.343 1.700 10.201 1.00 0.00 C ATOM 67 CG HIS A 6 -19.189 3.048 10.843 1.00 0.00 C ATOM 68 ND1 HIS A 6 -18.058 3.827 10.711 1.00 0.00 N ATOM 69 CD2 HIS A 6 -20.035 3.753 11.625 1.00 0.00 C ATOM 70 CE1 HIS A 6 -18.218 4.950 11.386 1.00 0.00 C ATOM 71 NE2 HIS A 6 -19.411 4.931 11.947 1.00 0.00 N ATOM 0 H HIS A 6 -19.731 -0.157 8.015 1.00 0.00 H new ATOM 0 HA HIS A 6 -21.022 2.308 9.006 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -19.857 1.036 10.896 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -18.353 1.277 10.028 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -21.022 3.446 11.939 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -17.495 5.748 11.465 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -19.806 5.672 12.526 1.00 0.00 H new ATOM 80 N SER A 7 -19.370 1.813 6.568 1.00 0.00 N ATOM 81 CA SER A 7 -18.522 2.223 5.455 1.00 0.00 C ATOM 82 C SER A 7 -17.052 1.987 5.807 1.00 0.00 C ATOM 83 O SER A 7 -16.360 2.881 6.296 1.00 0.00 O ATOM 84 CB SER A 7 -18.765 3.697 5.094 1.00 0.00 C ATOM 85 OG SER A 7 -20.153 3.962 4.930 1.00 0.00 O ATOM 0 H SER A 7 -20.037 1.077 6.336 1.00 0.00 H new ATOM 0 HA SER A 7 -18.776 1.621 4.583 1.00 0.00 H new ATOM 0 HB2 SER A 7 -18.359 4.338 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.234 3.942 4.174 1.00 0.00 H new ATOM 0 HG SER A 7 -20.281 4.907 4.703 1.00 0.00 H new ATOM 91 N GLY A 8 -16.595 0.757 5.586 1.00 0.00 N ATOM 92 CA GLY A 8 -15.237 0.389 5.943 1.00 0.00 C ATOM 93 C GLY A 8 -14.190 1.126 5.133 1.00 0.00 C ATOM 94 O GLY A 8 -13.084 1.373 5.613 1.00 0.00 O ATOM 0 H GLY A 8 -17.143 0.007 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -15.078 0.592 7.002 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -15.108 -0.684 5.802 1.00 0.00 H new ATOM 98 N ASN A 9 -14.535 1.484 3.905 1.00 0.00 N ATOM 99 CA ASN A 9 -13.598 2.151 3.018 1.00 0.00 C ATOM 100 C ASN A 9 -14.361 2.913 1.941 1.00 0.00 C ATOM 101 O ASN A 9 -15.462 2.519 1.548 1.00 0.00 O ATOM 102 CB ASN A 9 -12.662 1.112 2.394 1.00 0.00 C ATOM 103 CG ASN A 9 -11.451 1.698 1.687 1.00 0.00 C ATOM 104 OD1 ASN A 9 -11.465 2.820 1.188 1.00 0.00 O ATOM 105 ND2 ASN A 9 -10.383 0.927 1.631 1.00 0.00 N ATOM 0 H ASN A 9 -15.458 1.323 3.501 1.00 0.00 H new ATOM 0 HA ASN A 9 -12.999 2.866 3.582 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -12.318 0.435 3.176 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.229 0.513 1.681 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.539 1.258 1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.401 -0.001 2.055 1.00 0.00 H new ATOM 112 N LEU A 10 -13.768 4.003 1.480 1.00 0.00 N ATOM 113 CA LEU A 10 -14.377 4.868 0.481 1.00 0.00 C ATOM 114 C LEU A 10 -14.063 4.373 -0.923 1.00 0.00 C ATOM 115 O LEU A 10 -14.760 4.705 -1.884 1.00 0.00 O ATOM 116 CB LEU A 10 -13.825 6.279 0.632 1.00 0.00 C ATOM 117 CG LEU A 10 -13.913 6.873 2.038 1.00 0.00 C ATOM 118 CD1 LEU A 10 -13.302 8.262 2.067 1.00 0.00 C ATOM 119 CD2 LEU A 10 -15.357 6.916 2.513 1.00 0.00 C ATOM 0 H LEU A 10 -12.847 4.314 1.789 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.457 4.861 0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.780 6.277 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.360 6.935 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.349 6.233 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.373 8.670 3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.254 8.205 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.839 8.910 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.398 7.342 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.946 7.532 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.764 5.905 2.532 1.00 0.00 H new ATOM 131 N TYR A 11 -12.999 3.588 -1.031 1.00 0.00 N ATOM 132 CA TYR A 11 -12.509 3.131 -2.321 1.00 0.00 C ATOM 133 C TYR A 11 -13.450 2.078 -2.920 1.00 0.00 C ATOM 134 O TYR A 11 -14.539 1.835 -2.402 1.00 0.00 O ATOM 135 CB TYR A 11 -11.089 2.570 -2.166 1.00 0.00 C ATOM 136 CG TYR A 11 -10.173 2.881 -3.332 1.00 0.00 C ATOM 137 CD1 TYR A 11 -9.464 4.076 -3.381 1.00 0.00 C ATOM 138 CD2 TYR A 11 -10.011 1.981 -4.378 1.00 0.00 C ATOM 139 CE1 TYR A 11 -8.620 4.362 -4.436 1.00 0.00 C ATOM 140 CE2 TYR A 11 -9.173 2.261 -5.438 1.00 0.00 C ATOM 141 CZ TYR A 11 -8.479 3.451 -5.463 1.00 0.00 C ATOM 142 OH TYR A 11 -7.630 3.724 -6.509 1.00 0.00 O ATOM 0 H TYR A 11 -12.457 3.254 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 11 -12.480 3.977 -3.007 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -10.648 2.972 -1.254 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.148 1.489 -2.042 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -9.575 4.793 -2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.551 1.046 -4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.073 5.293 -4.457 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -9.062 1.551 -6.244 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.646 2.980 -7.146 1.00 0.00 H new ATOM 152 N THR A 12 -13.013 1.464 -4.011 1.00 0.00 N ATOM 153 CA THR A 12 -13.820 0.509 -4.764 1.00 0.00 C ATOM 154 C THR A 12 -14.282 -0.676 -3.904 1.00 0.00 C ATOM 155 O THR A 12 -15.351 -0.630 -3.291 1.00 0.00 O ATOM 156 CB THR A 12 -13.012 -0.019 -5.961 1.00 0.00 C ATOM 157 OG1 THR A 12 -12.228 1.044 -6.510 1.00 0.00 O ATOM 158 CG2 THR A 12 -13.920 -0.588 -7.038 1.00 0.00 C ATOM 0 H THR A 12 -12.083 1.614 -4.402 1.00 0.00 H new ATOM 0 HA THR A 12 -14.711 1.037 -5.105 1.00 0.00 H new ATOM 0 HB THR A 12 -12.364 -0.821 -5.607 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.381 1.112 -6.022 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.315 -0.952 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.502 -1.412 -6.625 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.595 0.191 -7.394 1.00 0.00 H new ATOM 166 N ALA A 13 -13.461 -1.726 -3.871 1.00 0.00 N ATOM 167 CA ALA A 13 -13.748 -2.942 -3.116 1.00 0.00 C ATOM 168 C ALA A 13 -12.674 -3.979 -3.394 1.00 0.00 C ATOM 169 O ALA A 13 -12.418 -4.311 -4.551 1.00 0.00 O ATOM 170 CB ALA A 13 -15.116 -3.514 -3.475 1.00 0.00 C ATOM 0 H ALA A 13 -12.573 -1.755 -4.371 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.756 -2.687 -2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.296 -4.419 -2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.888 -2.778 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.142 -3.754 -4.538 1.00 0.00 H new ATOM 176 N GLY A 14 -12.019 -4.454 -2.341 1.00 0.00 N ATOM 177 CA GLY A 14 -11.012 -5.494 -2.488 1.00 0.00 C ATOM 178 C GLY A 14 -9.848 -5.073 -3.366 1.00 0.00 C ATOM 179 O GLY A 14 -9.152 -5.913 -3.920 1.00 0.00 O ATOM 0 H GLY A 14 -12.167 -4.137 -1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.636 -5.769 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.476 -6.384 -2.912 1.00 0.00 H new ATOM 183 N GLN A 15 -9.638 -3.770 -3.486 1.00 0.00 N ATOM 184 CA GLN A 15 -8.561 -3.235 -4.313 1.00 0.00 C ATOM 185 C GLN A 15 -7.224 -3.292 -3.587 1.00 0.00 C ATOM 186 O GLN A 15 -7.178 -3.431 -2.367 1.00 0.00 O ATOM 187 CB GLN A 15 -8.866 -1.788 -4.705 1.00 0.00 C ATOM 188 CG GLN A 15 -9.879 -1.650 -5.824 1.00 0.00 C ATOM 189 CD GLN A 15 -9.291 -2.029 -7.162 1.00 0.00 C ATOM 190 OE1 GLN A 15 -8.724 -1.189 -7.856 1.00 0.00 O ATOM 191 NE2 GLN A 15 -9.416 -3.289 -7.534 1.00 0.00 N ATOM 0 H GLN A 15 -10.201 -3.059 -3.019 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.494 -3.852 -5.209 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.234 -1.255 -3.828 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.939 -1.302 -5.007 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.741 -2.282 -5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.240 -0.622 -5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.894 -3.955 -6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.034 -3.597 -8.428 1.00 0.00 H new ATOM 200 N CYS A 16 -6.144 -3.181 -4.350 1.00 0.00 N ATOM 201 CA CYS A 16 -4.800 -3.107 -3.789 1.00 0.00 C ATOM 202 C CYS A 16 -4.699 -1.908 -2.851 1.00 0.00 C ATOM 203 O CYS A 16 -4.230 -2.024 -1.721 1.00 0.00 O ATOM 204 CB CYS A 16 -3.771 -2.992 -4.919 1.00 0.00 C ATOM 205 SG CYS A 16 -2.046 -3.103 -4.386 1.00 0.00 S ATOM 0 H CYS A 16 -6.174 -3.140 -5.369 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.594 -4.014 -3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.963 -3.779 -5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.918 -2.041 -5.431 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.820 -2.219 -3.460 1.00 0.00 H new ATOM 211 N THR A 17 -5.188 -0.764 -3.320 1.00 0.00 N ATOM 212 CA THR A 17 -5.180 0.459 -2.529 1.00 0.00 C ATOM 213 C THR A 17 -6.267 0.406 -1.452 1.00 0.00 C ATOM 214 O THR A 17 -6.123 0.974 -0.369 1.00 0.00 O ATOM 215 CB THR A 17 -5.407 1.683 -3.436 1.00 0.00 C ATOM 216 OG1 THR A 17 -6.559 1.457 -4.252 1.00 0.00 O ATOM 217 CG2 THR A 17 -4.209 1.935 -4.333 1.00 0.00 C ATOM 0 H THR A 17 -5.596 -0.660 -4.249 1.00 0.00 H new ATOM 0 HA THR A 17 -4.207 0.549 -2.046 1.00 0.00 H new ATOM 0 HB THR A 17 -5.552 2.556 -2.800 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.065 2.291 -4.341 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.401 2.805 -4.961 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.327 2.118 -3.719 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.037 1.063 -4.964 1.00 0.00 H new ATOM 225 N TRP A 18 -7.350 -0.297 -1.765 1.00 0.00 N ATOM 226 CA TRP A 18 -8.459 -0.478 -0.835 1.00 0.00 C ATOM 227 C TRP A 18 -8.001 -1.295 0.369 1.00 0.00 C ATOM 228 O TRP A 18 -8.298 -0.949 1.515 1.00 0.00 O ATOM 229 CB TRP A 18 -9.607 -1.180 -1.563 1.00 0.00 C ATOM 230 CG TRP A 18 -10.889 -1.315 -0.791 1.00 0.00 C ATOM 231 CD1 TRP A 18 -11.966 -0.473 -0.833 1.00 0.00 C ATOM 232 CD2 TRP A 18 -11.242 -2.372 0.114 1.00 0.00 C ATOM 233 NE1 TRP A 18 -12.966 -0.948 -0.020 1.00 0.00 N ATOM 234 CE2 TRP A 18 -12.544 -2.106 0.579 1.00 0.00 C ATOM 235 CE3 TRP A 18 -10.585 -3.518 0.577 1.00 0.00 C ATOM 236 CZ2 TRP A 18 -13.200 -2.941 1.480 1.00 0.00 C ATOM 237 CZ3 TRP A 18 -11.237 -4.345 1.473 1.00 0.00 C ATOM 238 CH2 TRP A 18 -12.533 -4.054 1.915 1.00 0.00 C ATOM 0 H TRP A 18 -7.484 -0.756 -2.666 1.00 0.00 H new ATOM 0 HA TRP A 18 -8.804 0.491 -0.474 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -9.815 -0.634 -2.483 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.273 -2.176 -1.852 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -12.022 0.432 -1.419 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.877 -0.509 0.116 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.586 -3.752 0.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -14.199 -2.718 1.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.738 -5.230 1.838 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -13.016 -4.721 2.613 1.00 0.00 H new ATOM 249 N TYR A 19 -7.269 -2.373 0.099 1.00 0.00 N ATOM 250 CA TYR A 19 -6.722 -3.214 1.157 1.00 0.00 C ATOM 251 C TYR A 19 -5.848 -2.390 2.089 1.00 0.00 C ATOM 252 O TYR A 19 -5.997 -2.450 3.308 1.00 0.00 O ATOM 253 CB TYR A 19 -5.904 -4.356 0.554 1.00 0.00 C ATOM 254 CG TYR A 19 -5.323 -5.312 1.578 1.00 0.00 C ATOM 255 CD1 TYR A 19 -6.105 -6.303 2.155 1.00 0.00 C ATOM 256 CD2 TYR A 19 -3.990 -5.227 1.963 1.00 0.00 C ATOM 257 CE1 TYR A 19 -5.580 -7.181 3.084 1.00 0.00 C ATOM 258 CE2 TYR A 19 -3.458 -6.102 2.893 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.257 -7.077 3.449 1.00 0.00 C ATOM 260 OH TYR A 19 -3.733 -7.948 4.376 1.00 0.00 O ATOM 0 H TYR A 19 -7.041 -2.684 -0.845 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.550 -3.633 1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.537 -4.918 -0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.090 -3.933 -0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.144 -6.390 1.872 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.359 -4.465 1.529 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.205 -7.945 3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.421 -6.021 3.182 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.786 -7.740 4.522 1.00 0.00 H new ATOM 270 N VAL A 20 -4.947 -1.620 1.495 1.00 0.00 N ATOM 271 CA VAL A 20 -4.031 -0.771 2.243 1.00 0.00 C ATOM 272 C VAL A 20 -4.781 0.164 3.184 1.00 0.00 C ATOM 273 O VAL A 20 -4.530 0.180 4.390 1.00 0.00 O ATOM 274 CB VAL A 20 -3.160 0.068 1.287 1.00 0.00 C ATOM 275 CG1 VAL A 20 -2.332 1.076 2.059 1.00 0.00 C ATOM 276 CG2 VAL A 20 -2.262 -0.836 0.458 1.00 0.00 C ATOM 0 H VAL A 20 -4.831 -1.566 0.483 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.394 -1.429 2.834 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.820 0.615 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.725 1.657 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.994 1.745 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.681 0.552 2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.653 -0.229 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.612 -1.409 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.876 -1.519 -0.129 1.00 0.00 H new ATOM 286 N TYR A 21 -5.711 0.921 2.625 1.00 0.00 N ATOM 287 CA TYR A 21 -6.453 1.919 3.386 1.00 0.00 C ATOM 288 C TYR A 21 -7.207 1.281 4.550 1.00 0.00 C ATOM 289 O TYR A 21 -7.275 1.845 5.642 1.00 0.00 O ATOM 290 CB TYR A 21 -7.427 2.653 2.467 1.00 0.00 C ATOM 291 CG TYR A 21 -8.118 3.828 3.113 1.00 0.00 C ATOM 292 CD1 TYR A 21 -7.436 5.008 3.358 1.00 0.00 C ATOM 293 CD2 TYR A 21 -9.454 3.753 3.474 1.00 0.00 C ATOM 294 CE1 TYR A 21 -8.067 6.085 3.947 1.00 0.00 C ATOM 295 CE2 TYR A 21 -10.095 4.822 4.060 1.00 0.00 C ATOM 296 CZ TYR A 21 -9.397 5.990 4.296 1.00 0.00 C ATOM 297 OH TYR A 21 -10.029 7.062 4.882 1.00 0.00 O ATOM 0 H TYR A 21 -5.973 0.864 1.641 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.739 2.631 3.800 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.886 3.002 1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.182 1.948 2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.394 5.087 3.084 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.002 2.840 3.293 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.521 6.998 4.134 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.137 4.747 4.333 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.964 6.831 5.064 1.00 0.00 H new ATOM 307 N ASP A 22 -7.768 0.104 4.314 1.00 0.00 N ATOM 308 CA ASP A 22 -8.509 -0.606 5.348 1.00 0.00 C ATOM 309 C ASP A 22 -7.562 -1.133 6.429 1.00 0.00 C ATOM 310 O ASP A 22 -7.855 -1.046 7.621 1.00 0.00 O ATOM 311 CB ASP A 22 -9.311 -1.755 4.732 1.00 0.00 C ATOM 312 CG ASP A 22 -10.129 -2.516 5.761 1.00 0.00 C ATOM 313 OD1 ASP A 22 -11.195 -2.011 6.179 1.00 0.00 O ATOM 314 OD2 ASP A 22 -9.717 -3.630 6.145 1.00 0.00 O ATOM 0 H ASP A 22 -7.725 -0.380 3.417 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.203 0.093 5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.977 -1.358 3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.628 -2.444 4.235 1.00 0.00 H new ATOM 319 N LYS A 23 -6.410 -1.646 6.005 1.00 0.00 N ATOM 320 CA LYS A 23 -5.436 -2.232 6.926 1.00 0.00 C ATOM 321 C LYS A 23 -4.779 -1.175 7.810 1.00 0.00 C ATOM 322 O LYS A 23 -4.384 -1.458 8.940 1.00 0.00 O ATOM 323 CB LYS A 23 -4.366 -3.003 6.149 1.00 0.00 C ATOM 324 CG LYS A 23 -4.888 -4.278 5.509 1.00 0.00 C ATOM 325 CD LYS A 23 -5.003 -5.414 6.516 1.00 0.00 C ATOM 326 CE LYS A 23 -3.632 -5.909 6.950 1.00 0.00 C ATOM 327 NZ LYS A 23 -3.716 -7.101 7.834 1.00 0.00 N ATOM 0 H LYS A 23 -6.126 -1.668 5.026 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.977 -2.919 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.955 -2.357 5.373 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.547 -3.252 6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.865 -4.087 5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.222 -4.577 4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.562 -5.075 7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.567 -6.237 6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.041 -6.155 6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.108 -5.109 7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.757 -7.432 8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.213 -6.848 8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.237 -7.858 7.347 1.00 0.00 H new ATOM 341 N VAL A 24 -4.659 0.044 7.301 1.00 0.00 N ATOM 342 CA VAL A 24 -4.094 1.132 8.090 1.00 0.00 C ATOM 343 C VAL A 24 -5.166 1.787 8.956 1.00 0.00 C ATOM 344 O VAL A 24 -4.900 2.755 9.666 1.00 0.00 O ATOM 345 CB VAL A 24 -3.416 2.206 7.211 1.00 0.00 C ATOM 346 CG1 VAL A 24 -2.278 1.601 6.407 1.00 0.00 C ATOM 347 CG2 VAL A 24 -4.420 2.881 6.290 1.00 0.00 C ATOM 0 H VAL A 24 -4.942 0.303 6.356 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.329 0.688 8.727 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.006 2.967 7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.814 2.374 5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.536 1.182 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.667 0.813 5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.911 3.631 5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.874 2.135 5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.196 3.361 6.887 1.00 0.00 H new ATOM 357 N GLY A 25 -6.380 1.251 8.884 1.00 0.00 N ATOM 358 CA GLY A 25 -7.467 1.746 9.707 1.00 0.00 C ATOM 359 C GLY A 25 -8.010 3.071 9.225 1.00 0.00 C ATOM 360 O GLY A 25 -8.593 3.827 10.001 1.00 0.00 O ATOM 0 H GLY A 25 -6.631 0.479 8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.272 1.011 9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.119 1.853 10.734 1.00 0.00 H new ATOM 364 N GLY A 26 -7.818 3.350 7.942 1.00 0.00 N ATOM 365 CA GLY A 26 -8.259 4.611 7.381 1.00 0.00 C ATOM 366 C GLY A 26 -7.520 5.794 7.976 1.00 0.00 C ATOM 367 O GLY A 26 -8.017 6.920 7.955 1.00 0.00 O ATOM 0 H GLY A 26 -7.363 2.723 7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.110 4.598 6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.329 4.729 7.554 1.00 0.00 H new ATOM 371 N GLU A 27 -6.333 5.532 8.510 1.00 0.00 N ATOM 372 CA GLU A 27 -5.538 6.566 9.155 1.00 0.00 C ATOM 373 C GLU A 27 -5.017 7.558 8.121 1.00 0.00 C ATOM 374 O GLU A 27 -5.036 8.771 8.337 1.00 0.00 O ATOM 375 CB GLU A 27 -4.369 5.939 9.915 1.00 0.00 C ATOM 376 CG GLU A 27 -3.842 6.812 11.038 1.00 0.00 C ATOM 377 CD GLU A 27 -4.886 7.068 12.105 1.00 0.00 C ATOM 378 OE1 GLU A 27 -4.969 6.272 13.062 1.00 0.00 O ATOM 379 OE2 GLU A 27 -5.626 8.067 11.992 1.00 0.00 O ATOM 0 H GLU A 27 -5.900 4.608 8.508 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.173 7.099 9.863 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.686 4.981 10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.559 5.732 9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.973 6.333 11.490 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.504 7.764 10.628 1.00 0.00 H new ATOM 386 N ILE A 28 -4.544 7.031 7.001 1.00 0.00 N ATOM 387 CA ILE A 28 -4.092 7.862 5.897 1.00 0.00 C ATOM 388 C ILE A 28 -4.741 7.386 4.611 1.00 0.00 C ATOM 389 O ILE A 28 -5.082 6.210 4.494 1.00 0.00 O ATOM 390 CB ILE A 28 -2.539 7.854 5.721 1.00 0.00 C ATOM 391 CG1 ILE A 28 -2.081 6.892 4.603 1.00 0.00 C ATOM 392 CG2 ILE A 28 -1.844 7.498 7.026 1.00 0.00 C ATOM 393 CD1 ILE A 28 -2.144 5.417 4.951 1.00 0.00 C ATOM 0 H ILE A 28 -4.464 6.028 6.834 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.385 8.886 6.128 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.254 8.865 5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.697 7.067 3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.055 7.141 4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.764 7.500 6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.105 8.231 7.789 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.164 6.508 7.350 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.802 4.828 4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.504 5.218 5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.171 5.144 5.192 1.00 0.00 H new ATOM 405 N GLY A 29 -4.933 8.283 3.661 1.00 0.00 N ATOM 406 CA GLY A 29 -5.349 7.859 2.349 1.00 0.00 C ATOM 407 C GLY A 29 -6.468 8.678 1.762 1.00 0.00 C ATOM 408 O GLY A 29 -6.413 9.905 1.786 1.00 0.00 O ATOM 0 H GLY A 29 -4.809 9.289 3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.492 7.901 1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.664 6.817 2.399 1.00 0.00 H new ATOM 412 N SER A 30 -7.464 7.956 1.225 1.00 0.00 N ATOM 413 CA SER A 30 -8.644 8.509 0.538 1.00 0.00 C ATOM 414 C SER A 30 -8.268 9.390 -0.661 1.00 0.00 C ATOM 415 O SER A 30 -8.558 9.045 -1.804 1.00 0.00 O ATOM 416 CB SER A 30 -9.591 9.251 1.506 1.00 0.00 C ATOM 417 OG SER A 30 -8.953 10.321 2.180 1.00 0.00 O ATOM 0 H SER A 30 -7.471 6.937 1.258 1.00 0.00 H new ATOM 0 HA SER A 30 -9.190 7.652 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.445 9.635 0.949 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.980 8.545 2.240 1.00 0.00 H new ATOM 0 HG SER A 30 -8.004 10.111 2.303 1.00 0.00 H new ATOM 423 N THR A 31 -7.593 10.496 -0.404 1.00 0.00 N ATOM 424 CA THR A 31 -7.276 11.466 -1.439 1.00 0.00 C ATOM 425 C THR A 31 -5.871 11.240 -2.005 1.00 0.00 C ATOM 426 O THR A 31 -5.298 12.124 -2.646 1.00 0.00 O ATOM 427 CB THR A 31 -7.409 12.906 -0.890 1.00 0.00 C ATOM 428 OG1 THR A 31 -7.148 13.868 -1.920 1.00 0.00 O ATOM 429 CG2 THR A 31 -6.461 13.138 0.278 1.00 0.00 C ATOM 0 H THR A 31 -7.250 10.747 0.523 1.00 0.00 H new ATOM 0 HA THR A 31 -7.990 11.331 -2.251 1.00 0.00 H new ATOM 0 HB THR A 31 -8.433 13.029 -0.538 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.428 13.541 -2.498 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.577 14.158 0.643 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.693 12.437 1.080 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.433 12.985 -0.052 1.00 0.00 H new ATOM 437 N TRP A 32 -5.329 10.043 -1.794 1.00 0.00 N ATOM 438 CA TRP A 32 -4.003 9.706 -2.311 1.00 0.00 C ATOM 439 C TRP A 32 -4.069 9.302 -3.782 1.00 0.00 C ATOM 440 O TRP A 32 -3.052 8.986 -4.397 1.00 0.00 O ATOM 441 CB TRP A 32 -3.349 8.590 -1.490 1.00 0.00 C ATOM 442 CG TRP A 32 -4.086 7.283 -1.523 1.00 0.00 C ATOM 443 CD1 TRP A 32 -4.889 6.814 -2.516 1.00 0.00 C ATOM 444 CD2 TRP A 32 -4.063 6.269 -0.523 1.00 0.00 C ATOM 445 NE1 TRP A 32 -5.377 5.586 -2.198 1.00 0.00 N ATOM 446 CE2 TRP A 32 -4.888 5.220 -0.970 1.00 0.00 C ATOM 447 CE3 TRP A 32 -3.422 6.153 0.707 1.00 0.00 C ATOM 448 CZ2 TRP A 32 -5.095 4.065 -0.219 1.00 0.00 C ATOM 449 CZ3 TRP A 32 -3.627 5.007 1.456 1.00 0.00 C ATOM 450 CH2 TRP A 32 -4.457 3.977 0.989 1.00 0.00 C ATOM 0 H TRP A 32 -5.783 9.294 -1.272 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.389 10.602 -2.224 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.335 8.431 -1.858 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.264 8.919 -0.454 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.108 7.344 -3.431 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.004 5.028 -2.778 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.778 6.941 1.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.734 3.270 -0.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.140 4.904 2.415 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.596 3.095 1.596 1.00 0.00 H new ATOM 461 N GLY A 33 -5.273 9.282 -4.328 1.00 0.00 N ATOM 462 CA GLY A 33 -5.427 8.952 -5.721 1.00 0.00 C ATOM 463 C GLY A 33 -5.405 7.464 -5.961 1.00 0.00 C ATOM 464 O GLY A 33 -6.147 6.709 -5.333 1.00 0.00 O ATOM 0 H GLY A 33 -6.140 9.488 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.367 9.363 -6.088 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.628 9.422 -6.294 1.00 0.00 H new ATOM 468 N ASN A 34 -4.551 7.043 -6.877 1.00 0.00 N ATOM 469 CA ASN A 34 -4.328 5.633 -7.108 1.00 0.00 C ATOM 470 C ASN A 34 -2.913 5.292 -6.688 1.00 0.00 C ATOM 471 O ASN A 34 -2.181 6.161 -6.222 1.00 0.00 O ATOM 472 CB ASN A 34 -4.536 5.259 -8.576 1.00 0.00 C ATOM 473 CG ASN A 34 -5.861 5.739 -9.148 1.00 0.00 C ATOM 474 OD1 ASN A 34 -5.946 6.072 -10.329 1.00 0.00 O ATOM 475 ND2 ASN A 34 -6.902 5.766 -8.332 1.00 0.00 N ATOM 0 H ASN A 34 -4.001 7.662 -7.473 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.050 5.066 -6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.722 5.678 -9.167 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.478 4.175 -8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.812 6.070 -8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.794 5.483 -7.358 1.00 0.00 H new ATOM 482 N ALA A 35 -2.514 4.047 -6.884 1.00 0.00 N ATOM 483 CA ALA A 35 -1.234 3.573 -6.386 1.00 0.00 C ATOM 484 C ALA A 35 -0.054 4.328 -7.004 1.00 0.00 C ATOM 485 O ALA A 35 0.871 4.710 -6.297 1.00 0.00 O ATOM 486 CB ALA A 35 -1.109 2.083 -6.628 1.00 0.00 C ATOM 0 H ALA A 35 -3.059 3.345 -7.385 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.201 3.767 -5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.147 1.733 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.913 1.561 -6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.177 1.881 -7.697 1.00 0.00 H new ATOM 492 N ASN A 36 -0.093 4.568 -8.308 1.00 0.00 N ATOM 493 CA ASN A 36 1.020 5.242 -8.988 1.00 0.00 C ATOM 494 C ASN A 36 0.905 6.763 -8.882 1.00 0.00 C ATOM 495 O ASN A 36 1.690 7.500 -9.479 1.00 0.00 O ATOM 496 CB ASN A 36 1.111 4.818 -10.462 1.00 0.00 C ATOM 497 CG ASN A 36 -0.050 5.313 -11.309 1.00 0.00 C ATOM 498 OD1 ASN A 36 -1.155 5.542 -10.814 1.00 0.00 O ATOM 499 ND2 ASN A 36 0.194 5.460 -12.601 1.00 0.00 N ATOM 0 H ASN A 36 -0.871 4.312 -8.916 1.00 0.00 H new ATOM 0 HA ASN A 36 1.936 4.935 -8.483 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.043 5.194 -10.883 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.152 3.730 -10.517 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.547 5.774 -13.228 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.123 5.260 -12.971 1.00 0.00 H new ATOM 506 N ASN A 37 -0.066 7.224 -8.108 1.00 0.00 N ATOM 507 CA ASN A 37 -0.245 8.652 -7.855 1.00 0.00 C ATOM 508 C ASN A 37 -0.040 8.929 -6.367 1.00 0.00 C ATOM 509 O ASN A 37 -0.184 10.060 -5.898 1.00 0.00 O ATOM 510 CB ASN A 37 -1.649 9.091 -8.298 1.00 0.00 C ATOM 511 CG ASN A 37 -1.867 10.596 -8.222 1.00 0.00 C ATOM 512 OD1 ASN A 37 -0.937 11.387 -8.389 1.00 0.00 O ATOM 513 ND2 ASN A 37 -3.107 11.003 -7.982 1.00 0.00 N ATOM 0 H ASN A 37 -0.748 6.628 -7.640 1.00 0.00 H new ATOM 0 HA ASN A 37 0.488 9.221 -8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.819 8.759 -9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.391 8.592 -7.674 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.316 12.000 -7.931 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.852 10.319 -7.849 1.00 0.00 H new ATOM 520 N TRP A 38 0.336 7.876 -5.644 1.00 0.00 N ATOM 521 CA TRP A 38 0.461 7.924 -4.191 1.00 0.00 C ATOM 522 C TRP A 38 1.378 9.031 -3.716 1.00 0.00 C ATOM 523 O TRP A 38 0.926 9.970 -3.077 1.00 0.00 O ATOM 524 CB TRP A 38 0.987 6.604 -3.652 1.00 0.00 C ATOM 525 CG TRP A 38 -0.043 5.812 -2.941 1.00 0.00 C ATOM 526 CD1 TRP A 38 -1.324 5.578 -3.333 1.00 0.00 C ATOM 527 CD2 TRP A 38 0.136 5.139 -1.702 1.00 0.00 C ATOM 528 NE1 TRP A 38 -1.964 4.812 -2.402 1.00 0.00 N ATOM 529 CE2 TRP A 38 -1.084 4.523 -1.381 1.00 0.00 C ATOM 530 CE3 TRP A 38 1.218 5.005 -0.833 1.00 0.00 C ATOM 531 CZ2 TRP A 38 -1.245 3.780 -0.211 1.00 0.00 C ATOM 532 CZ3 TRP A 38 1.057 4.270 0.316 1.00 0.00 C ATOM 533 CH2 TRP A 38 -0.165 3.668 0.621 1.00 0.00 C ATOM 0 H TRP A 38 0.562 6.968 -6.049 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.542 8.121 -3.812 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.384 6.014 -4.478 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.817 6.801 -2.974 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.769 5.944 -4.246 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.935 4.504 -2.453 1.00 0.00 H new ATOM 0 HE3 TRP A 38 2.166 5.471 -1.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.188 3.311 0.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 1.889 4.156 0.995 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.260 3.101 1.535 1.00 0.00 H new ATOM 544 N ALA A 39 2.665 8.912 -4.031 1.00 0.00 N ATOM 545 CA ALA A 39 3.677 9.830 -3.512 1.00 0.00 C ATOM 546 C ALA A 39 3.291 11.289 -3.735 1.00 0.00 C ATOM 547 O ALA A 39 3.569 12.145 -2.899 1.00 0.00 O ATOM 548 CB ALA A 39 5.031 9.537 -4.142 1.00 0.00 C ATOM 0 H ALA A 39 3.034 8.186 -4.646 1.00 0.00 H new ATOM 0 HA ALA A 39 3.743 9.670 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.774 10.229 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.327 8.514 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.963 9.658 -5.223 1.00 0.00 H new ATOM 554 N ALA A 40 2.632 11.560 -4.851 1.00 0.00 N ATOM 555 CA ALA A 40 2.214 12.912 -5.177 1.00 0.00 C ATOM 556 C ALA A 40 0.995 13.328 -4.355 1.00 0.00 C ATOM 557 O ALA A 40 1.015 14.358 -3.679 1.00 0.00 O ATOM 558 CB ALA A 40 1.925 13.023 -6.666 1.00 0.00 C ATOM 0 H ALA A 40 2.375 10.859 -5.546 1.00 0.00 H new ATOM 0 HA ALA A 40 3.027 13.593 -4.925 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.612 14.040 -6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.825 12.781 -7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.130 12.328 -6.935 1.00 0.00 H new ATOM 564 N ALA A 41 -0.052 12.509 -4.387 1.00 0.00 N ATOM 565 CA ALA A 41 -1.309 12.842 -3.721 1.00 0.00 C ATOM 566 C ALA A 41 -1.182 12.750 -2.203 1.00 0.00 C ATOM 567 O ALA A 41 -1.800 13.525 -1.472 1.00 0.00 O ATOM 568 CB ALA A 41 -2.425 11.943 -4.218 1.00 0.00 C ATOM 0 H ALA A 41 -0.056 11.609 -4.867 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.553 13.875 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.355 12.204 -3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.547 12.075 -5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.176 10.903 -4.006 1.00 0.00 H new ATOM 574 N ALA A 42 -0.393 11.787 -1.741 1.00 0.00 N ATOM 575 CA ALA A 42 -0.073 11.653 -0.326 1.00 0.00 C ATOM 576 C ALA A 42 0.518 12.954 0.210 1.00 0.00 C ATOM 577 O ALA A 42 0.035 13.508 1.194 1.00 0.00 O ATOM 578 CB ALA A 42 0.912 10.510 -0.120 1.00 0.00 C ATOM 0 H ALA A 42 0.041 11.080 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.991 11.435 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.145 10.417 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.470 9.580 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.827 10.713 -0.676 1.00 0.00 H new ATOM 584 N GLN A 43 1.559 13.452 -0.457 1.00 0.00 N ATOM 585 CA GLN A 43 2.202 14.702 -0.050 1.00 0.00 C ATOM 586 C GLN A 43 1.263 15.884 -0.249 1.00 0.00 C ATOM 587 O GLN A 43 1.324 16.868 0.485 1.00 0.00 O ATOM 588 CB GLN A 43 3.501 14.921 -0.826 1.00 0.00 C ATOM 589 CG GLN A 43 4.570 13.896 -0.498 1.00 0.00 C ATOM 590 CD GLN A 43 5.857 14.109 -1.269 1.00 0.00 C ATOM 591 OE1 GLN A 43 6.757 14.812 -0.816 1.00 0.00 O ATOM 592 NE2 GLN A 43 5.950 13.503 -2.438 1.00 0.00 N ATOM 0 H GLN A 43 1.974 13.012 -1.278 1.00 0.00 H new ATOM 0 HA GLN A 43 2.441 14.626 1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.289 14.887 -1.895 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.883 15.918 -0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.784 13.932 0.570 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.186 12.899 -0.713 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.179 12.928 -2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.793 13.610 -3.002 1.00 0.00 H new ATOM 601 N GLY A 44 0.390 15.775 -1.243 1.00 0.00 N ATOM 602 CA GLY A 44 -0.622 16.791 -1.459 1.00 0.00 C ATOM 603 C GLY A 44 -1.614 16.848 -0.313 1.00 0.00 C ATOM 604 O GLY A 44 -2.159 17.904 -0.002 1.00 0.00 O ATOM 0 H GLY A 44 0.365 14.999 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.143 17.763 -1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.152 16.585 -2.389 1.00 0.00 H new ATOM 608 N ALA A 45 -1.842 15.701 0.314 1.00 0.00 N ATOM 609 CA ALA A 45 -2.726 15.617 1.469 1.00 0.00 C ATOM 610 C ALA A 45 -1.983 15.982 2.748 1.00 0.00 C ATOM 611 O ALA A 45 -2.591 16.345 3.753 1.00 0.00 O ATOM 612 CB ALA A 45 -3.314 14.220 1.580 1.00 0.00 C ATOM 0 H ALA A 45 -1.424 14.812 0.040 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.538 16.331 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.973 14.170 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.883 13.992 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.509 13.494 1.694 1.00 0.00 H new ATOM 618 N GLY A 46 -0.664 15.881 2.704 1.00 0.00 N ATOM 619 CA GLY A 46 0.145 16.237 3.852 1.00 0.00 C ATOM 620 C GLY A 46 0.800 15.036 4.502 1.00 0.00 C ATOM 621 O GLY A 46 1.024 15.029 5.712 1.00 0.00 O ATOM 0 H GLY A 46 -0.137 15.558 1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.916 16.943 3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.478 16.747 4.586 1.00 0.00 H new ATOM 625 N PHE A 47 1.097 14.012 3.705 1.00 0.00 N ATOM 626 CA PHE A 47 1.774 12.821 4.211 1.00 0.00 C ATOM 627 C PHE A 47 3.283 12.977 4.069 1.00 0.00 C ATOM 628 O PHE A 47 3.760 13.742 3.229 1.00 0.00 O ATOM 629 CB PHE A 47 1.332 11.564 3.452 1.00 0.00 C ATOM 630 CG PHE A 47 -0.142 11.251 3.528 1.00 0.00 C ATOM 631 CD1 PHE A 47 -1.002 11.987 4.329 1.00 0.00 C ATOM 632 CD2 PHE A 47 -0.667 10.218 2.770 1.00 0.00 C ATOM 633 CE1 PHE A 47 -2.352 11.695 4.368 1.00 0.00 C ATOM 634 CE2 PHE A 47 -2.011 9.924 2.799 1.00 0.00 C ATOM 635 CZ PHE A 47 -2.856 10.664 3.599 1.00 0.00 C ATOM 0 H PHE A 47 0.880 13.983 2.709 1.00 0.00 H new ATOM 0 HA PHE A 47 1.506 12.711 5.262 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.609 11.676 2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.888 10.711 3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.613 12.797 4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.010 9.632 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.012 12.272 4.999 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.402 9.117 2.198 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.912 10.438 3.624 1.00 0.00 H new ATOM 645 N THR A 48 4.027 12.246 4.882 1.00 0.00 N ATOM 646 CA THR A 48 5.482 12.281 4.831 1.00 0.00 C ATOM 647 C THR A 48 6.022 11.081 4.058 1.00 0.00 C ATOM 648 O THR A 48 6.177 9.996 4.618 1.00 0.00 O ATOM 649 CB THR A 48 6.089 12.253 6.244 1.00 0.00 C ATOM 650 OG1 THR A 48 5.307 13.066 7.134 1.00 0.00 O ATOM 651 CG2 THR A 48 7.519 12.764 6.220 1.00 0.00 C ATOM 0 H THR A 48 3.646 11.617 5.589 1.00 0.00 H new ATOM 0 HA THR A 48 5.762 13.208 4.331 1.00 0.00 H new ATOM 0 HB THR A 48 6.086 11.222 6.597 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.493 12.583 7.388 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.932 12.737 7.228 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.120 12.133 5.565 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.533 13.789 5.850 1.00 0.00 H new ATOM 659 N VAL A 49 6.299 11.249 2.779 1.00 0.00 N ATOM 660 CA VAL A 49 6.787 10.126 1.999 1.00 0.00 C ATOM 661 C VAL A 49 8.309 10.150 1.913 1.00 0.00 C ATOM 662 O VAL A 49 8.921 11.177 1.609 1.00 0.00 O ATOM 663 CB VAL A 49 6.151 10.054 0.579 1.00 0.00 C ATOM 664 CG1 VAL A 49 4.795 10.734 0.561 1.00 0.00 C ATOM 665 CG2 VAL A 49 7.057 10.628 -0.503 1.00 0.00 C ATOM 0 H VAL A 49 6.199 12.126 2.268 1.00 0.00 H new ATOM 0 HA VAL A 49 6.478 9.222 2.523 1.00 0.00 H new ATOM 0 HB VAL A 49 6.019 8.997 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.370 10.671 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.130 10.239 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.909 11.781 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.562 10.551 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.266 11.675 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.992 10.069 -0.529 1.00 0.00 H new ATOM 675 N ASN A 50 8.909 9.026 2.250 1.00 0.00 N ATOM 676 CA ASN A 50 10.329 8.820 2.060 1.00 0.00 C ATOM 677 C ASN A 50 10.465 7.607 1.157 1.00 0.00 C ATOM 678 O ASN A 50 9.725 7.479 0.180 1.00 0.00 O ATOM 679 CB ASN A 50 11.050 8.556 3.395 1.00 0.00 C ATOM 680 CG ASN A 50 10.682 9.520 4.508 1.00 0.00 C ATOM 681 OD1 ASN A 50 10.378 10.688 4.279 1.00 0.00 O ATOM 682 ND2 ASN A 50 10.703 9.020 5.735 1.00 0.00 N ATOM 0 H ASN A 50 8.424 8.229 2.664 1.00 0.00 H new ATOM 0 HA ASN A 50 10.784 9.710 1.626 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.825 7.541 3.721 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.126 8.606 3.229 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.461 9.611 6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.961 8.044 5.884 1.00 0.00 H new ATOM 689 N HIS A 51 11.368 6.703 1.494 1.00 0.00 N ATOM 690 CA HIS A 51 11.432 5.423 0.808 1.00 0.00 C ATOM 691 C HIS A 51 12.240 4.397 1.605 1.00 0.00 C ATOM 692 O HIS A 51 13.423 4.180 1.358 1.00 0.00 O ATOM 693 CB HIS A 51 11.983 5.579 -0.626 1.00 0.00 C ATOM 694 CG HIS A 51 13.260 6.367 -0.739 1.00 0.00 C ATOM 695 ND1 HIS A 51 13.293 7.723 -0.998 1.00 0.00 N ATOM 696 CD2 HIS A 51 14.554 5.977 -0.646 1.00 0.00 C ATOM 697 CE1 HIS A 51 14.548 8.128 -1.059 1.00 0.00 C ATOM 698 NE2 HIS A 51 15.332 7.090 -0.847 1.00 0.00 N ATOM 0 H HIS A 51 12.061 6.829 2.231 1.00 0.00 H new ATOM 0 HA HIS A 51 10.412 5.046 0.730 1.00 0.00 H new ATOM 0 HB2 HIS A 51 12.149 4.586 -1.044 1.00 0.00 H new ATOM 0 HB3 HIS A 51 11.222 6.060 -1.240 1.00 0.00 H new ATOM 0 HD2 HIS A 51 14.908 4.976 -0.450 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.877 9.139 -1.250 1.00 0.00 H new ATOM 0 HE2 HIS A 51 16.352 7.110 -0.834 1.00 0.00 H new ATOM 707 N THR A 52 11.585 3.793 2.584 1.00 0.00 N ATOM 708 CA THR A 52 12.194 2.778 3.433 1.00 0.00 C ATOM 709 C THR A 52 11.095 1.980 4.131 1.00 0.00 C ATOM 710 O THR A 52 10.395 2.518 4.979 1.00 0.00 O ATOM 711 CB THR A 52 13.125 3.413 4.496 1.00 0.00 C ATOM 712 OG1 THR A 52 14.178 4.147 3.855 1.00 0.00 O ATOM 713 CG2 THR A 52 13.730 2.353 5.404 1.00 0.00 C ATOM 0 H THR A 52 10.612 3.993 2.814 1.00 0.00 H new ATOM 0 HA THR A 52 12.796 2.123 2.804 1.00 0.00 H new ATOM 0 HB THR A 52 12.523 4.088 5.104 1.00 0.00 H new ATOM 0 HG1 THR A 52 14.163 3.966 2.892 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.378 2.830 6.139 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.933 1.816 5.918 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.313 1.652 4.807 1.00 0.00 H new ATOM 721 N PRO A 53 10.914 0.698 3.774 1.00 0.00 N ATOM 722 CA PRO A 53 9.831 -0.136 4.317 1.00 0.00 C ATOM 723 C PRO A 53 9.839 -0.211 5.841 1.00 0.00 C ATOM 724 O PRO A 53 10.887 -0.101 6.482 1.00 0.00 O ATOM 725 CB PRO A 53 10.106 -1.521 3.719 1.00 0.00 C ATOM 726 CG PRO A 53 11.526 -1.467 3.278 1.00 0.00 C ATOM 727 CD PRO A 53 11.743 -0.056 2.826 1.00 0.00 C ATOM 0 HA PRO A 53 8.853 0.273 4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.950 -2.309 4.456 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.439 -1.731 2.883 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.202 -1.728 4.093 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.714 -2.173 2.469 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.792 0.234 2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.424 0.096 1.795 1.00 0.00 H new ATOM 735 N SER A 54 8.662 -0.423 6.413 1.00 0.00 N ATOM 736 CA SER A 54 8.486 -0.452 7.852 1.00 0.00 C ATOM 737 C SER A 54 7.189 -1.174 8.175 1.00 0.00 C ATOM 738 O SER A 54 6.235 -1.113 7.398 1.00 0.00 O ATOM 739 CB SER A 54 8.448 0.972 8.428 1.00 0.00 C ATOM 740 OG SER A 54 9.647 1.682 8.153 1.00 0.00 O ATOM 0 H SER A 54 7.802 -0.580 5.888 1.00 0.00 H new ATOM 0 HA SER A 54 9.329 -0.977 8.303 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.600 1.512 8.007 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.292 0.925 9.506 1.00 0.00 H new ATOM 0 HG SER A 54 9.588 2.584 8.532 1.00 0.00 H new ATOM 746 N LYS A 55 7.161 -1.867 9.297 1.00 0.00 N ATOM 747 CA LYS A 55 5.958 -2.551 9.739 1.00 0.00 C ATOM 748 C LYS A 55 4.852 -1.538 10.010 1.00 0.00 C ATOM 749 O LYS A 55 4.984 -0.689 10.892 1.00 0.00 O ATOM 750 CB LYS A 55 6.254 -3.371 10.995 1.00 0.00 C ATOM 751 CG LYS A 55 5.099 -4.240 11.449 1.00 0.00 C ATOM 752 CD LYS A 55 5.515 -5.180 12.564 1.00 0.00 C ATOM 753 CE LYS A 55 5.820 -4.432 13.850 1.00 0.00 C ATOM 754 NZ LYS A 55 4.590 -3.867 14.466 1.00 0.00 N ATOM 0 H LYS A 55 7.960 -1.972 9.922 1.00 0.00 H new ATOM 0 HA LYS A 55 5.623 -3.228 8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.120 -4.005 10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.525 -2.693 11.804 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.280 -3.608 11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.724 -4.819 10.605 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.720 -5.904 12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.395 -5.744 12.254 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.303 -5.106 14.557 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.526 -3.627 13.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.806 -3.529 15.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.246 -3.074 13.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.857 -4.603 14.515 1.00 0.00 H new ATOM 768 N GLY A 56 3.780 -1.612 9.234 1.00 0.00 N ATOM 769 CA GLY A 56 2.690 -0.666 9.378 1.00 0.00 C ATOM 770 C GLY A 56 2.697 0.385 8.287 1.00 0.00 C ATOM 771 O GLY A 56 1.828 1.256 8.243 1.00 0.00 O ATOM 0 H GLY A 56 3.645 -2.312 8.505 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.741 -1.202 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.760 -0.178 10.350 1.00 0.00 H new ATOM 775 N ALA A 57 3.686 0.309 7.406 1.00 0.00 N ATOM 776 CA ALA A 57 3.792 1.244 6.297 1.00 0.00 C ATOM 777 C ALA A 57 3.283 0.604 5.013 1.00 0.00 C ATOM 778 O ALA A 57 2.649 -0.444 5.051 1.00 0.00 O ATOM 779 CB ALA A 57 5.226 1.705 6.128 1.00 0.00 C ATOM 0 H ALA A 57 4.426 -0.392 7.439 1.00 0.00 H new ATOM 0 HA ALA A 57 3.174 2.114 6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.288 2.404 5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.559 2.199 7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.864 0.844 5.928 1.00 0.00 H new ATOM 785 N ILE A 58 3.546 1.237 3.875 1.00 0.00 N ATOM 786 CA ILE A 58 3.075 0.723 2.594 1.00 0.00 C ATOM 787 C ILE A 58 4.172 0.842 1.540 1.00 0.00 C ATOM 788 O ILE A 58 4.876 1.844 1.488 1.00 0.00 O ATOM 789 CB ILE A 58 1.819 1.470 2.083 1.00 0.00 C ATOM 790 CG1 ILE A 58 0.746 1.593 3.175 1.00 0.00 C ATOM 791 CG2 ILE A 58 1.242 0.762 0.865 1.00 0.00 C ATOM 792 CD1 ILE A 58 0.907 2.807 4.072 1.00 0.00 C ATOM 0 H ILE A 58 4.081 2.103 3.813 1.00 0.00 H new ATOM 0 HA ILE A 58 2.811 -0.322 2.757 1.00 0.00 H new ATOM 0 HB ILE A 58 2.128 2.477 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.235 1.633 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.766 0.694 3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.359 1.298 0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.988 0.737 0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.965 -0.257 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.110 2.819 4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.872 2.761 4.576 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.855 3.714 3.470 1.00 0.00 H new ATOM 804 N LEU A 59 4.310 -0.181 0.708 1.00 0.00 N ATOM 805 CA LEU A 59 5.346 -0.210 -0.317 1.00 0.00 C ATOM 806 C LEU A 59 4.777 0.272 -1.656 1.00 0.00 C ATOM 807 O LEU A 59 3.732 -0.204 -2.099 1.00 0.00 O ATOM 808 CB LEU A 59 5.910 -1.640 -0.438 1.00 0.00 C ATOM 809 CG LEU A 59 7.251 -1.775 -1.174 1.00 0.00 C ATOM 810 CD1 LEU A 59 7.067 -1.590 -2.670 1.00 0.00 C ATOM 811 CD2 LEU A 59 8.252 -0.780 -0.611 1.00 0.00 C ATOM 0 H LEU A 59 3.713 -1.008 0.723 1.00 0.00 H new ATOM 0 HA LEU A 59 6.157 0.461 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.026 -2.049 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.173 -2.258 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 59 7.641 -2.780 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.030 -1.690 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.381 -2.348 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.657 -0.599 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.201 -0.881 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.871 0.233 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.403 -0.977 0.450 1.00 0.00 H new ATOM 823 N GLN A 60 5.480 1.205 -2.294 1.00 0.00 N ATOM 824 CA GLN A 60 5.023 1.816 -3.542 1.00 0.00 C ATOM 825 C GLN A 60 5.961 1.506 -4.707 1.00 0.00 C ATOM 826 O GLN A 60 7.177 1.635 -4.606 1.00 0.00 O ATOM 827 CB GLN A 60 4.887 3.334 -3.324 1.00 0.00 C ATOM 828 CG GLN A 60 5.488 4.219 -4.417 1.00 0.00 C ATOM 829 CD GLN A 60 4.659 4.263 -5.684 1.00 0.00 C ATOM 830 OE1 GLN A 60 5.186 4.455 -6.776 1.00 0.00 O ATOM 831 NE2 GLN A 60 3.359 4.089 -5.547 1.00 0.00 N ATOM 0 H GLN A 60 6.378 1.558 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 60 4.054 1.394 -3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.828 3.575 -3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.359 3.590 -2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.601 5.232 -4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.487 3.856 -4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.960 3.932 -4.621 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.752 4.111 -6.367 1.00 0.00 H new ATOM 840 N SER A 61 5.359 1.101 -5.813 1.00 0.00 N ATOM 841 CA SER A 61 6.069 0.864 -7.055 1.00 0.00 C ATOM 842 C SER A 61 5.300 1.521 -8.197 1.00 0.00 C ATOM 843 O SER A 61 4.079 1.691 -8.106 1.00 0.00 O ATOM 844 CB SER A 61 6.212 -0.641 -7.301 1.00 0.00 C ATOM 845 OG SER A 61 7.009 -0.910 -8.441 1.00 0.00 O ATOM 0 H SER A 61 4.356 0.927 -5.873 1.00 0.00 H new ATOM 0 HA SER A 61 7.068 1.295 -6.996 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.658 -1.113 -6.425 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.225 -1.084 -7.434 1.00 0.00 H new ATOM 0 HG SER A 61 7.950 -0.977 -8.174 1.00 0.00 H new ATOM 851 N SER A 62 6.007 1.894 -9.256 1.00 0.00 N ATOM 852 CA SER A 62 5.394 2.584 -10.381 1.00 0.00 C ATOM 853 C SER A 62 4.419 1.675 -11.124 1.00 0.00 C ATOM 854 O SER A 62 3.209 1.901 -11.088 1.00 0.00 O ATOM 855 CB SER A 62 6.474 3.097 -11.334 1.00 0.00 C ATOM 856 OG SER A 62 7.401 3.922 -10.646 1.00 0.00 O ATOM 0 H SER A 62 7.008 1.729 -9.358 1.00 0.00 H new ATOM 0 HA SER A 62 4.830 3.432 -9.992 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.996 2.254 -11.787 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.012 3.659 -12.146 1.00 0.00 H new ATOM 0 HG SER A 62 8.085 4.239 -11.272 1.00 0.00 H new ATOM 862 N GLU A 63 4.952 0.649 -11.788 1.00 0.00 N ATOM 863 CA GLU A 63 4.139 -0.303 -12.544 1.00 0.00 C ATOM 864 C GLU A 63 3.336 0.388 -13.651 1.00 0.00 C ATOM 865 O GLU A 63 3.530 1.573 -13.936 1.00 0.00 O ATOM 866 CB GLU A 63 3.220 -1.085 -11.599 1.00 0.00 C ATOM 867 CG GLU A 63 3.970 -2.084 -10.734 1.00 0.00 C ATOM 868 CD GLU A 63 4.514 -3.254 -11.536 1.00 0.00 C ATOM 869 OE1 GLU A 63 5.406 -3.044 -12.386 1.00 0.00 O ATOM 870 OE2 GLU A 63 4.051 -4.392 -11.317 1.00 0.00 O ATOM 0 H GLU A 63 5.953 0.455 -11.817 1.00 0.00 H new ATOM 0 HA GLU A 63 4.814 -1.006 -13.032 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.687 -0.384 -10.956 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.469 -1.613 -12.186 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.794 -1.578 -10.231 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.304 -2.459 -9.957 1.00 0.00 H new ATOM 877 N GLY A 64 2.448 -0.361 -14.285 1.00 0.00 N ATOM 878 CA GLY A 64 1.712 0.158 -15.420 1.00 0.00 C ATOM 879 C GLY A 64 0.257 0.474 -15.127 1.00 0.00 C ATOM 880 O GLY A 64 -0.126 1.642 -15.149 1.00 0.00 O ATOM 0 H GLY A 64 2.222 -1.323 -14.033 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.204 1.064 -15.775 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.758 -0.568 -16.231 1.00 0.00 H new ATOM 884 N PRO A 65 -0.571 -0.551 -14.834 1.00 0.00 N ATOM 885 CA PRO A 65 -2.036 -0.419 -14.760 1.00 0.00 C ATOM 886 C PRO A 65 -2.505 0.795 -13.957 1.00 0.00 C ATOM 887 O PRO A 65 -3.123 1.710 -14.505 1.00 0.00 O ATOM 888 CB PRO A 65 -2.493 -1.720 -14.080 1.00 0.00 C ATOM 889 CG PRO A 65 -1.246 -2.421 -13.646 1.00 0.00 C ATOM 890 CD PRO A 65 -0.151 -1.924 -14.541 1.00 0.00 C ATOM 0 HA PRO A 65 -2.459 -0.265 -15.753 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.138 -1.508 -13.227 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.068 -2.339 -14.769 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.022 -2.205 -12.601 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.358 -3.502 -13.732 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.820 -1.953 -14.047 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.066 -2.523 -15.447 1.00 0.00 H new ATOM 898 N PHE A 66 -2.209 0.808 -12.665 1.00 0.00 N ATOM 899 CA PHE A 66 -2.638 1.900 -11.799 1.00 0.00 C ATOM 900 C PHE A 66 -1.619 2.136 -10.695 1.00 0.00 C ATOM 901 O PHE A 66 -1.882 2.854 -9.725 1.00 0.00 O ATOM 902 CB PHE A 66 -4.013 1.595 -11.192 1.00 0.00 C ATOM 903 CG PHE A 66 -4.004 0.475 -10.190 1.00 0.00 C ATOM 904 CD1 PHE A 66 -3.862 -0.839 -10.599 1.00 0.00 C ATOM 905 CD2 PHE A 66 -4.134 0.742 -8.837 1.00 0.00 C ATOM 906 CE1 PHE A 66 -3.849 -1.868 -9.678 1.00 0.00 C ATOM 907 CE2 PHE A 66 -4.123 -0.282 -7.911 1.00 0.00 C ATOM 908 CZ PHE A 66 -3.979 -1.589 -8.332 1.00 0.00 C ATOM 0 H PHE A 66 -1.675 0.078 -12.193 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.715 2.805 -12.402 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.394 2.496 -10.711 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.706 1.345 -11.995 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.760 -1.063 -11.651 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.245 1.763 -8.503 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.737 -2.890 -10.010 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.227 -0.061 -6.859 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.968 -2.392 -7.610 1.00 0.00 H new ATOM 918 N GLY A 67 -0.451 1.536 -10.854 1.00 0.00 N ATOM 919 CA GLY A 67 0.577 1.639 -9.844 1.00 0.00 C ATOM 920 C GLY A 67 0.592 0.442 -8.927 1.00 0.00 C ATOM 921 O GLY A 67 -0.145 -0.521 -9.143 1.00 0.00 O ATOM 0 H GLY A 67 -0.196 0.977 -11.669 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.550 1.738 -10.326 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.418 2.543 -9.257 1.00 0.00 H new ATOM 925 N HIS A 68 1.422 0.494 -7.900 1.00 0.00 N ATOM 926 CA HIS A 68 1.502 -0.599 -6.948 1.00 0.00 C ATOM 927 C HIS A 68 1.754 -0.084 -5.546 1.00 0.00 C ATOM 928 O HIS A 68 2.835 0.420 -5.264 1.00 0.00 O ATOM 929 CB HIS A 68 2.650 -1.528 -7.316 1.00 0.00 C ATOM 930 CG HIS A 68 2.453 -2.926 -6.827 1.00 0.00 C ATOM 931 ND1 HIS A 68 2.400 -4.018 -7.662 1.00 0.00 N ATOM 932 CD2 HIS A 68 2.271 -3.402 -5.575 1.00 0.00 C ATOM 933 CE1 HIS A 68 2.190 -5.106 -6.941 1.00 0.00 C ATOM 934 NE2 HIS A 68 2.107 -4.757 -5.669 1.00 0.00 N ATOM 0 H HIS A 68 2.046 1.276 -7.705 1.00 0.00 H new ATOM 0 HA HIS A 68 0.550 -1.130 -6.979 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.765 -1.541 -8.400 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.577 -1.132 -6.902 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.258 -2.819 -4.666 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.101 -6.111 -7.327 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.947 -5.392 -4.887 1.00 0.00 H new ATOM 943 N VAL A 69 0.772 -0.193 -4.670 1.00 0.00 N ATOM 944 CA VAL A 69 1.020 0.044 -3.262 1.00 0.00 C ATOM 945 C VAL A 69 0.508 -1.116 -2.419 1.00 0.00 C ATOM 946 O VAL A 69 -0.689 -1.397 -2.372 1.00 0.00 O ATOM 947 CB VAL A 69 0.419 1.376 -2.779 1.00 0.00 C ATOM 948 CG1 VAL A 69 1.153 2.537 -3.428 1.00 0.00 C ATOM 949 CG2 VAL A 69 -1.067 1.454 -3.082 1.00 0.00 C ATOM 0 H VAL A 69 -0.190 -0.440 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 69 2.100 0.116 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 69 0.540 1.433 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.724 3.478 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.208 2.498 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.055 2.469 -4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.461 2.407 -2.728 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.224 1.373 -4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.584 0.638 -2.578 1.00 0.00 H new ATOM 959 N ALA A 70 1.436 -1.805 -1.779 1.00 0.00 N ATOM 960 CA ALA A 70 1.105 -2.950 -0.955 1.00 0.00 C ATOM 961 C ALA A 70 1.421 -2.649 0.497 1.00 0.00 C ATOM 962 O ALA A 70 2.509 -2.170 0.814 1.00 0.00 O ATOM 963 CB ALA A 70 1.868 -4.178 -1.420 1.00 0.00 C ATOM 0 H ALA A 70 2.432 -1.588 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 70 0.039 -3.155 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.607 -5.028 -0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.606 -4.399 -2.455 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.939 -3.989 -1.349 1.00 0.00 H new ATOM 969 N TYR A 71 0.476 -2.932 1.374 1.00 0.00 N ATOM 970 CA TYR A 71 0.623 -2.610 2.779 1.00 0.00 C ATOM 971 C TYR A 71 1.662 -3.521 3.428 1.00 0.00 C ATOM 972 O TYR A 71 1.574 -4.748 3.353 1.00 0.00 O ATOM 973 CB TYR A 71 -0.736 -2.713 3.479 1.00 0.00 C ATOM 974 CG TYR A 71 -0.653 -2.713 4.989 1.00 0.00 C ATOM 975 CD1 TYR A 71 -0.465 -1.536 5.698 1.00 0.00 C ATOM 976 CD2 TYR A 71 -0.757 -3.902 5.699 1.00 0.00 C ATOM 977 CE1 TYR A 71 -0.380 -1.540 7.079 1.00 0.00 C ATOM 978 CE2 TYR A 71 -0.672 -3.914 7.079 1.00 0.00 C ATOM 979 CZ TYR A 71 -0.484 -2.732 7.764 1.00 0.00 C ATOM 980 OH TYR A 71 -0.395 -2.744 9.137 1.00 0.00 O ATOM 0 H TYR A 71 -0.405 -3.387 1.135 1.00 0.00 H new ATOM 0 HA TYR A 71 0.979 -1.585 2.880 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.361 -1.879 3.160 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.233 -3.627 3.153 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.384 -0.601 5.163 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.906 -4.830 5.166 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.233 -0.615 7.617 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.753 -4.846 7.619 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.490 -3.663 9.463 1.00 0.00 H new ATOM 990 N VAL A 72 2.649 -2.900 4.051 1.00 0.00 N ATOM 991 CA VAL A 72 3.759 -3.612 4.658 1.00 0.00 C ATOM 992 C VAL A 72 3.378 -4.077 6.053 1.00 0.00 C ATOM 993 O VAL A 72 3.175 -3.260 6.954 1.00 0.00 O ATOM 994 CB VAL A 72 5.007 -2.714 4.759 1.00 0.00 C ATOM 995 CG1 VAL A 72 6.222 -3.522 5.188 1.00 0.00 C ATOM 996 CG2 VAL A 72 5.265 -1.985 3.446 1.00 0.00 C ATOM 0 H VAL A 72 2.703 -1.886 4.150 1.00 0.00 H new ATOM 0 HA VAL A 72 3.989 -4.470 4.026 1.00 0.00 H new ATOM 0 HB VAL A 72 4.819 -1.960 5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.091 -2.867 5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.034 -3.972 6.163 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.413 -4.307 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.151 -1.359 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.423 -2.713 2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.405 -1.361 3.201 1.00 0.00 H new ATOM 1006 N GLU A 73 3.290 -5.382 6.234 1.00 0.00 N ATOM 1007 CA GLU A 73 2.885 -5.926 7.516 1.00 0.00 C ATOM 1008 C GLU A 73 4.089 -6.183 8.409 1.00 0.00 C ATOM 1009 O GLU A 73 3.937 -6.318 9.623 1.00 0.00 O ATOM 1010 CB GLU A 73 2.071 -7.213 7.347 1.00 0.00 C ATOM 1011 CG GLU A 73 0.751 -7.003 6.624 1.00 0.00 C ATOM 1012 CD GLU A 73 -0.215 -8.149 6.835 1.00 0.00 C ATOM 1013 OE1 GLU A 73 -0.014 -9.222 6.236 1.00 0.00 O ATOM 1014 OE2 GLU A 73 -1.183 -7.985 7.611 1.00 0.00 O ATOM 0 H GLU A 73 3.491 -6.079 5.517 1.00 0.00 H new ATOM 0 HA GLU A 73 2.250 -5.180 7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.667 -7.941 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.874 -7.641 8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.293 -6.077 6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.940 -6.883 5.557 1.00 0.00 H new ATOM 1021 N SER A 74 5.280 -6.246 7.814 1.00 0.00 N ATOM 1022 CA SER A 74 6.487 -6.537 8.575 1.00 0.00 C ATOM 1023 C SER A 74 7.728 -6.524 7.687 1.00 0.00 C ATOM 1024 O SER A 74 7.675 -6.898 6.512 1.00 0.00 O ATOM 1025 CB SER A 74 6.362 -7.906 9.258 1.00 0.00 C ATOM 1026 OG SER A 74 6.080 -8.926 8.315 1.00 0.00 O ATOM 0 H SER A 74 5.431 -6.100 6.816 1.00 0.00 H new ATOM 0 HA SER A 74 6.598 -5.757 9.328 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.288 -8.139 9.783 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.571 -7.871 10.007 1.00 0.00 H new ATOM 0 HG SER A 74 6.007 -9.787 8.777 1.00 0.00 H new ATOM 1032 N VAL A 75 8.831 -6.057 8.247 1.00 0.00 N ATOM 1033 CA VAL A 75 10.133 -6.230 7.627 1.00 0.00 C ATOM 1034 C VAL A 75 10.855 -7.366 8.343 1.00 0.00 C ATOM 1035 O VAL A 75 11.002 -7.343 9.568 1.00 0.00 O ATOM 1036 CB VAL A 75 10.989 -4.947 7.683 1.00 0.00 C ATOM 1037 CG1 VAL A 75 12.308 -5.152 6.946 1.00 0.00 C ATOM 1038 CG2 VAL A 75 10.223 -3.767 7.099 1.00 0.00 C ATOM 0 H VAL A 75 8.850 -5.553 9.134 1.00 0.00 H new ATOM 0 HA VAL A 75 9.984 -6.462 6.572 1.00 0.00 H new ATOM 0 HB VAL A 75 11.212 -4.726 8.727 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.899 -4.237 6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.862 -5.967 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.108 -5.398 5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.842 -2.871 7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.968 -3.977 6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.309 -3.607 7.671 1.00 0.00 H new ATOM 1048 N ASN A 76 11.281 -8.361 7.587 1.00 0.00 N ATOM 1049 CA ASN A 76 11.811 -9.590 8.161 1.00 0.00 C ATOM 1050 C ASN A 76 13.241 -9.398 8.643 1.00 0.00 C ATOM 1051 O ASN A 76 13.943 -8.492 8.195 1.00 0.00 O ATOM 1052 CB ASN A 76 11.763 -10.727 7.138 1.00 0.00 C ATOM 1053 CG ASN A 76 10.368 -10.983 6.601 1.00 0.00 C ATOM 1054 OD1 ASN A 76 9.370 -10.778 7.293 1.00 0.00 O ATOM 1055 ND2 ASN A 76 10.289 -11.430 5.359 1.00 0.00 N ATOM 0 H ASN A 76 11.271 -8.344 6.567 1.00 0.00 H new ATOM 0 HA ASN A 76 11.187 -9.850 9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.428 -10.489 6.308 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.142 -11.639 7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.377 -11.618 4.942 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.140 -11.587 4.818 1.00 0.00 H new ATOM 1062 N SER A 77 13.674 -10.281 9.534 1.00 0.00 N ATOM 1063 CA SER A 77 15.004 -10.202 10.125 1.00 0.00 C ATOM 1064 C SER A 77 16.101 -10.452 9.090 1.00 0.00 C ATOM 1065 O SER A 77 17.251 -10.069 9.289 1.00 0.00 O ATOM 1066 CB SER A 77 15.108 -11.220 11.256 1.00 0.00 C ATOM 1067 OG SER A 77 14.526 -12.454 10.868 1.00 0.00 O ATOM 0 H SER A 77 13.117 -11.068 9.866 1.00 0.00 H new ATOM 0 HA SER A 77 15.148 -9.194 10.513 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.154 -11.372 11.521 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.606 -10.838 12.145 1.00 0.00 H new ATOM 0 HG SER A 77 14.602 -13.097 11.603 1.00 0.00 H new ATOM 1073 N ASP A 78 15.742 -11.092 7.982 1.00 0.00 N ATOM 1074 CA ASP A 78 16.713 -11.404 6.936 1.00 0.00 C ATOM 1075 C ASP A 78 16.843 -10.258 5.943 1.00 0.00 C ATOM 1076 O ASP A 78 17.572 -10.362 4.958 1.00 0.00 O ATOM 1077 CB ASP A 78 16.329 -12.690 6.203 1.00 0.00 C ATOM 1078 CG ASP A 78 16.521 -13.922 7.058 1.00 0.00 C ATOM 1079 OD1 ASP A 78 17.676 -14.375 7.204 1.00 0.00 O ATOM 1080 OD2 ASP A 78 15.521 -14.442 7.595 1.00 0.00 O ATOM 0 H ASP A 78 14.791 -11.404 7.784 1.00 0.00 H new ATOM 0 HA ASP A 78 17.679 -11.550 7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 78 15.287 -12.628 5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.930 -12.782 5.298 1.00 0.00 H new ATOM 1085 N GLY A 79 16.140 -9.166 6.204 1.00 0.00 N ATOM 1086 CA GLY A 79 16.230 -8.005 5.341 1.00 0.00 C ATOM 1087 C GLY A 79 15.197 -8.025 4.233 1.00 0.00 C ATOM 1088 O GLY A 79 15.182 -7.146 3.375 1.00 0.00 O ATOM 0 H GLY A 79 15.508 -9.062 6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.101 -7.102 5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.227 -7.958 4.903 1.00 0.00 H new ATOM 1092 N SER A 80 14.350 -9.040 4.235 1.00 0.00 N ATOM 1093 CA SER A 80 13.277 -9.134 3.266 1.00 0.00 C ATOM 1094 C SER A 80 12.011 -8.505 3.835 1.00 0.00 C ATOM 1095 O SER A 80 11.787 -8.539 5.037 1.00 0.00 O ATOM 1096 CB SER A 80 13.046 -10.598 2.893 1.00 0.00 C ATOM 1097 OG SER A 80 13.021 -11.424 4.047 1.00 0.00 O ATOM 0 H SER A 80 14.387 -9.812 4.900 1.00 0.00 H new ATOM 0 HA SER A 80 13.550 -8.590 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.104 -10.694 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.835 -10.933 2.220 1.00 0.00 H new ATOM 0 HG SER A 80 12.639 -12.297 3.817 1.00 0.00 H new ATOM 1103 N VAL A 81 11.200 -7.904 2.986 1.00 0.00 N ATOM 1104 CA VAL A 81 10.003 -7.220 3.451 1.00 0.00 C ATOM 1105 C VAL A 81 8.740 -7.979 3.057 1.00 0.00 C ATOM 1106 O VAL A 81 8.587 -8.390 1.910 1.00 0.00 O ATOM 1107 CB VAL A 81 9.951 -5.784 2.896 1.00 0.00 C ATOM 1108 CG1 VAL A 81 8.699 -5.062 3.361 1.00 0.00 C ATOM 1109 CG2 VAL A 81 11.200 -5.027 3.312 1.00 0.00 C ATOM 0 H VAL A 81 11.344 -7.874 1.977 1.00 0.00 H new ATOM 0 HA VAL A 81 10.048 -7.179 4.539 1.00 0.00 H new ATOM 0 HB VAL A 81 9.914 -5.832 1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.690 -4.051 2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.818 -5.601 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.690 -5.015 4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.159 -4.012 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.258 -4.991 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.081 -5.534 2.918 1.00 0.00 H new ATOM 1119 N THR A 82 7.845 -8.167 4.018 1.00 0.00 N ATOM 1120 CA THR A 82 6.589 -8.856 3.771 1.00 0.00 C ATOM 1121 C THR A 82 5.468 -7.850 3.534 1.00 0.00 C ATOM 1122 O THR A 82 5.086 -7.098 4.437 1.00 0.00 O ATOM 1123 CB THR A 82 6.215 -9.774 4.954 1.00 0.00 C ATOM 1124 OG1 THR A 82 7.258 -10.735 5.176 1.00 0.00 O ATOM 1125 CG2 THR A 82 4.901 -10.501 4.694 1.00 0.00 C ATOM 0 H THR A 82 7.968 -7.850 4.980 1.00 0.00 H new ATOM 0 HA THR A 82 6.718 -9.471 2.880 1.00 0.00 H new ATOM 0 HB THR A 82 6.094 -9.150 5.839 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.791 -10.466 5.953 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.664 -11.140 5.545 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.103 -9.772 4.555 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.995 -11.112 3.796 1.00 0.00 H new ATOM 1133 N ILE A 83 4.957 -7.827 2.312 1.00 0.00 N ATOM 1134 CA ILE A 83 3.882 -6.917 1.952 1.00 0.00 C ATOM 1135 C ILE A 83 2.618 -7.688 1.594 1.00 0.00 C ATOM 1136 O ILE A 83 2.684 -8.777 1.018 1.00 0.00 O ATOM 1137 CB ILE A 83 4.269 -6.002 0.766 1.00 0.00 C ATOM 1138 CG1 ILE A 83 4.653 -6.842 -0.458 1.00 0.00 C ATOM 1139 CG2 ILE A 83 5.406 -5.071 1.161 1.00 0.00 C ATOM 1140 CD1 ILE A 83 4.896 -6.025 -1.709 1.00 0.00 C ATOM 0 H ILE A 83 5.271 -8.430 1.552 1.00 0.00 H new ATOM 0 HA ILE A 83 3.697 -6.291 2.825 1.00 0.00 H new ATOM 0 HB ILE A 83 3.405 -5.392 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 83 5.553 -7.412 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.860 -7.563 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.666 -4.434 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.093 -4.450 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.275 -5.661 1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.163 -6.689 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.991 -5.475 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.710 -5.322 -1.532 1.00 0.00 H new ATOM 1152 N SER A 84 1.477 -7.118 1.939 1.00 0.00 N ATOM 1153 CA SER A 84 0.200 -7.735 1.646 1.00 0.00 C ATOM 1154 C SER A 84 -0.709 -6.758 0.913 1.00 0.00 C ATOM 1155 O SER A 84 -0.756 -5.565 1.227 1.00 0.00 O ATOM 1156 CB SER A 84 -0.462 -8.213 2.939 1.00 0.00 C ATOM 1157 OG SER A 84 0.357 -9.159 3.608 1.00 0.00 O ATOM 0 H SER A 84 1.411 -6.224 2.425 1.00 0.00 H new ATOM 0 HA SER A 84 0.369 -8.596 1.000 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.649 -7.361 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.430 -8.660 2.713 1.00 0.00 H new ATOM 0 HG SER A 84 0.207 -9.096 4.574 1.00 0.00 H new ATOM 1163 N GLU A 85 -1.418 -7.274 -0.070 1.00 0.00 N ATOM 1164 CA GLU A 85 -2.333 -6.483 -0.878 1.00 0.00 C ATOM 1165 C GLU A 85 -3.550 -7.326 -1.233 1.00 0.00 C ATOM 1166 O GLU A 85 -3.576 -8.522 -0.950 1.00 0.00 O ATOM 1167 CB GLU A 85 -1.623 -5.992 -2.144 1.00 0.00 C ATOM 1168 CG GLU A 85 -0.960 -7.110 -2.928 1.00 0.00 C ATOM 1169 CD GLU A 85 -0.037 -6.612 -4.019 1.00 0.00 C ATOM 1170 OE1 GLU A 85 1.012 -6.022 -3.696 1.00 0.00 O ATOM 1171 OE2 GLU A 85 -0.321 -6.845 -5.206 1.00 0.00 O ATOM 0 H GLU A 85 -1.378 -8.258 -0.335 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.662 -5.611 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.345 -5.486 -2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.870 -5.254 -1.868 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.393 -7.739 -2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.731 -7.739 -3.373 1.00 0.00 H new ATOM 1178 N MET A 86 -4.557 -6.721 -1.845 1.00 0.00 N ATOM 1179 CA MET A 86 -5.767 -7.455 -2.195 1.00 0.00 C ATOM 1180 C MET A 86 -6.096 -7.277 -3.663 1.00 0.00 C ATOM 1181 O MET A 86 -6.211 -6.148 -4.135 1.00 0.00 O ATOM 1182 CB MET A 86 -6.959 -6.981 -1.371 1.00 0.00 C ATOM 1183 CG MET A 86 -8.148 -7.920 -1.470 1.00 0.00 C ATOM 1184 SD MET A 86 -7.962 -9.395 -0.453 1.00 0.00 S ATOM 1185 CE MET A 86 -8.282 -8.736 1.181 1.00 0.00 C ATOM 0 H MET A 86 -4.563 -5.735 -2.108 1.00 0.00 H new ATOM 0 HA MET A 86 -5.576 -8.507 -1.982 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.660 -6.888 -0.327 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.256 -5.988 -1.707 1.00 0.00 H new ATOM 0 HG2 MET A 86 -9.051 -7.388 -1.169 1.00 0.00 H new ATOM 0 HG3 MET A 86 -8.285 -8.217 -2.510 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.390 -8.844 1.798 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.544 -7.681 1.103 1.00 0.00 H new ATOM 0 HE3 MET A 86 -9.107 -9.282 1.638 1.00 0.00 H new ATOM 1195 N ASN A 87 -6.252 -8.400 -4.365 1.00 0.00 N ATOM 1196 CA ASN A 87 -6.630 -8.420 -5.788 1.00 0.00 C ATOM 1197 C ASN A 87 -5.548 -7.838 -6.696 1.00 0.00 C ATOM 1198 O ASN A 87 -5.139 -8.484 -7.664 1.00 0.00 O ATOM 1199 CB ASN A 87 -7.960 -7.682 -6.007 1.00 0.00 C ATOM 1200 CG ASN A 87 -8.267 -7.418 -7.473 1.00 0.00 C ATOM 1201 OD1 ASN A 87 -8.796 -8.275 -8.171 1.00 0.00 O ATOM 1202 ND2 ASN A 87 -7.957 -6.216 -7.938 1.00 0.00 N ATOM 0 H ASN A 87 -6.120 -9.329 -3.965 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.749 -9.468 -6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.769 -8.270 -5.574 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.933 -6.733 -5.472 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.158 -5.977 -8.909 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.517 -5.530 -7.325 1.00 0.00 H new ATOM 1209 N TYR A 88 -5.106 -6.621 -6.380 1.00 0.00 N ATOM 1210 CA TYR A 88 -4.157 -5.879 -7.199 1.00 0.00 C ATOM 1211 C TYR A 88 -4.790 -5.533 -8.544 1.00 0.00 C ATOM 1212 O TYR A 88 -5.326 -4.441 -8.715 1.00 0.00 O ATOM 1213 CB TYR A 88 -2.845 -6.658 -7.380 1.00 0.00 C ATOM 1214 CG TYR A 88 -1.804 -5.929 -8.202 1.00 0.00 C ATOM 1215 CD1 TYR A 88 -1.654 -4.548 -8.115 1.00 0.00 C ATOM 1216 CD2 TYR A 88 -0.970 -6.625 -9.067 1.00 0.00 C ATOM 1217 CE1 TYR A 88 -0.706 -3.886 -8.868 1.00 0.00 C ATOM 1218 CE2 TYR A 88 -0.018 -5.971 -9.821 1.00 0.00 C ATOM 1219 CZ TYR A 88 0.109 -4.602 -9.717 1.00 0.00 C ATOM 1220 OH TYR A 88 1.062 -3.949 -10.463 1.00 0.00 O ATOM 0 H TYR A 88 -5.401 -6.121 -5.541 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.907 -4.951 -6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.428 -6.879 -6.398 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.065 -7.614 -7.856 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.290 -3.986 -7.447 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.068 -7.697 -9.151 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.604 -2.814 -8.792 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.624 -6.527 -10.488 1.00 0.00 H new ATOM 0 HH TYR A 88 1.887 -4.478 -10.475 1.00 0.00 H new ATOM 1230 N SER A 89 -4.769 -6.476 -9.469 1.00 0.00 N ATOM 1231 CA SER A 89 -5.372 -6.273 -10.777 1.00 0.00 C ATOM 1232 C SER A 89 -5.778 -7.609 -11.394 1.00 0.00 C ATOM 1233 O SER A 89 -6.017 -7.708 -12.602 1.00 0.00 O ATOM 1234 CB SER A 89 -4.392 -5.524 -11.687 1.00 0.00 C ATOM 1235 OG SER A 89 -3.126 -6.167 -11.738 1.00 0.00 O ATOM 0 H SER A 89 -4.340 -7.392 -9.339 1.00 0.00 H new ATOM 0 HA SER A 89 -6.274 -5.671 -10.664 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.807 -5.458 -12.693 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.267 -4.503 -11.326 1.00 0.00 H new ATOM 0 HG SER A 89 -2.679 -6.078 -10.871 1.00 0.00 H new ATOM 1241 N GLY A 90 -5.886 -8.627 -10.553 1.00 0.00 N ATOM 1242 CA GLY A 90 -6.167 -9.960 -11.042 1.00 0.00 C ATOM 1243 C GLY A 90 -7.404 -10.571 -10.420 1.00 0.00 C ATOM 1244 O GLY A 90 -8.518 -10.358 -10.904 1.00 0.00 O ATOM 0 H GLY A 90 -5.784 -8.553 -9.541 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -6.291 -9.925 -12.124 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.310 -10.603 -10.840 1.00 0.00 H new ATOM 1248 N GLY A 91 -7.211 -11.328 -9.349 1.00 0.00 N ATOM 1249 CA GLY A 91 -8.318 -12.021 -8.721 1.00 0.00 C ATOM 1250 C GLY A 91 -8.806 -11.325 -7.466 1.00 0.00 C ATOM 1251 O GLY A 91 -8.019 -11.080 -6.548 1.00 0.00 O ATOM 0 H GLY A 91 -6.306 -11.475 -8.903 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.141 -12.101 -9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.012 -13.037 -8.473 1.00 0.00 H new ATOM 1255 N PRO A 92 -10.104 -10.998 -7.397 1.00 0.00 N ATOM 1256 CA PRO A 92 -10.700 -10.315 -6.242 1.00 0.00 C ATOM 1257 C PRO A 92 -10.517 -11.090 -4.938 1.00 0.00 C ATOM 1258 O PRO A 92 -10.782 -12.293 -4.870 1.00 0.00 O ATOM 1259 CB PRO A 92 -12.183 -10.218 -6.606 1.00 0.00 C ATOM 1260 CG PRO A 92 -12.221 -10.328 -8.089 1.00 0.00 C ATOM 1261 CD PRO A 92 -11.097 -11.253 -8.455 1.00 0.00 C ATOM 0 HA PRO A 92 -10.229 -9.349 -6.060 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.758 -11.016 -6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.612 -9.274 -6.269 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.179 -10.722 -8.428 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.094 -9.352 -8.558 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.418 -12.295 -8.465 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.698 -11.032 -9.445 1.00 0.00 H new ATOM 1269 N PHE A 93 -10.044 -10.382 -3.915 1.00 0.00 N ATOM 1270 CA PHE A 93 -9.787 -10.949 -2.592 1.00 0.00 C ATOM 1271 C PHE A 93 -8.650 -11.960 -2.610 1.00 0.00 C ATOM 1272 O PHE A 93 -8.552 -12.807 -1.722 1.00 0.00 O ATOM 1273 CB PHE A 93 -11.033 -11.587 -1.979 1.00 0.00 C ATOM 1274 CG PHE A 93 -12.076 -10.596 -1.546 1.00 0.00 C ATOM 1275 CD1 PHE A 93 -11.906 -9.862 -0.382 1.00 0.00 C ATOM 1276 CD2 PHE A 93 -13.225 -10.404 -2.293 1.00 0.00 C ATOM 1277 CE1 PHE A 93 -12.864 -8.955 0.027 1.00 0.00 C ATOM 1278 CE2 PHE A 93 -14.187 -9.497 -1.888 1.00 0.00 C ATOM 1279 CZ PHE A 93 -14.006 -8.773 -0.728 1.00 0.00 C ATOM 0 H PHE A 93 -9.826 -9.388 -3.981 1.00 0.00 H new ATOM 0 HA PHE A 93 -9.491 -10.107 -1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.474 -12.269 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -10.736 -12.186 -1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -11.014 -10.001 0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.372 -10.969 -3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -12.720 -8.389 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -15.079 -9.356 -2.480 1.00 0.00 H new ATOM 0 HZ PHE A 93 -14.757 -8.064 -0.410 1.00 0.00 H new ATOM 1289 N SER A 94 -7.790 -11.881 -3.611 1.00 0.00 N ATOM 1290 CA SER A 94 -6.537 -12.599 -3.544 1.00 0.00 C ATOM 1291 C SER A 94 -5.609 -11.843 -2.616 1.00 0.00 C ATOM 1292 O SER A 94 -4.986 -10.860 -3.028 1.00 0.00 O ATOM 1293 CB SER A 94 -5.885 -12.748 -4.922 1.00 0.00 C ATOM 1294 OG SER A 94 -6.708 -13.494 -5.807 1.00 0.00 O ATOM 0 H SER A 94 -7.935 -11.338 -4.462 1.00 0.00 H new ATOM 0 HA SER A 94 -6.729 -13.605 -3.171 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.694 -11.761 -5.345 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.919 -13.242 -4.818 1.00 0.00 H new ATOM 0 HG SER A 94 -7.414 -12.915 -6.163 1.00 0.00 H new ATOM 1300 N VAL A 95 -5.584 -12.240 -1.352 1.00 0.00 N ATOM 1301 CA VAL A 95 -4.662 -11.649 -0.405 1.00 0.00 C ATOM 1302 C VAL A 95 -3.240 -11.946 -0.858 1.00 0.00 C ATOM 1303 O VAL A 95 -2.687 -13.013 -0.584 1.00 0.00 O ATOM 1304 CB VAL A 95 -4.884 -12.165 1.030 1.00 0.00 C ATOM 1305 CG1 VAL A 95 -3.928 -11.488 2.001 1.00 0.00 C ATOM 1306 CG2 VAL A 95 -6.327 -11.942 1.459 1.00 0.00 C ATOM 0 H VAL A 95 -6.189 -12.964 -0.964 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.838 -10.574 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.681 -13.236 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.103 -11.868 3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.900 -11.700 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.095 -10.411 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.466 -12.312 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.556 -10.877 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.994 -12.477 0.783 1.00 0.00 H new ATOM 1316 N SER A 96 -2.678 -11.010 -1.597 1.00 0.00 N ATOM 1317 CA SER A 96 -1.419 -11.227 -2.265 1.00 0.00 C ATOM 1318 C SER A 96 -0.260 -10.916 -1.340 1.00 0.00 C ATOM 1319 O SER A 96 0.030 -9.756 -1.047 1.00 0.00 O ATOM 1320 CB SER A 96 -1.347 -10.372 -3.529 1.00 0.00 C ATOM 1321 OG SER A 96 -2.501 -10.569 -4.331 1.00 0.00 O ATOM 0 H SER A 96 -3.081 -10.085 -1.748 1.00 0.00 H new ATOM 0 HA SER A 96 -1.349 -12.277 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.261 -9.320 -3.258 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.454 -10.629 -4.098 1.00 0.00 H new ATOM 0 HG SER A 96 -3.303 -10.497 -3.773 1.00 0.00 H new ATOM 1327 N SER A 97 0.367 -11.967 -0.860 1.00 0.00 N ATOM 1328 CA SER A 97 1.537 -11.836 -0.007 1.00 0.00 C ATOM 1329 C SER A 97 2.793 -11.902 -0.867 1.00 0.00 C ATOM 1330 O SER A 97 2.946 -12.818 -1.678 1.00 0.00 O ATOM 1331 CB SER A 97 1.551 -12.945 1.051 1.00 0.00 C ATOM 1332 OG SER A 97 2.589 -12.749 1.998 1.00 0.00 O ATOM 0 H SER A 97 0.087 -12.930 -1.045 1.00 0.00 H new ATOM 0 HA SER A 97 1.505 -10.876 0.509 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.590 -12.972 1.564 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.679 -13.912 0.564 1.00 0.00 H new ATOM 0 HG SER A 97 2.569 -13.472 2.659 1.00 0.00 H new ATOM 1338 N ARG A 98 3.678 -10.927 -0.713 1.00 0.00 N ATOM 1339 CA ARG A 98 4.867 -10.850 -1.549 1.00 0.00 C ATOM 1340 C ARG A 98 6.061 -10.357 -0.732 1.00 0.00 C ATOM 1341 O ARG A 98 5.888 -9.796 0.351 1.00 0.00 O ATOM 1342 CB ARG A 98 4.599 -9.918 -2.734 1.00 0.00 C ATOM 1343 CG ARG A 98 5.457 -10.199 -3.955 1.00 0.00 C ATOM 1344 CD ARG A 98 5.150 -9.232 -5.093 1.00 0.00 C ATOM 1345 NE ARG A 98 3.780 -9.375 -5.596 1.00 0.00 N ATOM 1346 CZ ARG A 98 2.778 -8.558 -5.268 1.00 0.00 C ATOM 1347 NH1 ARG A 98 2.962 -7.624 -4.343 1.00 0.00 N ATOM 1348 NH2 ARG A 98 1.589 -8.693 -5.840 1.00 0.00 N ATOM 0 H ARG A 98 3.596 -10.182 -0.021 1.00 0.00 H new ATOM 0 HA ARG A 98 5.105 -11.844 -1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.549 -9.999 -3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.765 -8.889 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.510 -10.122 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.288 -11.222 -4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 98 5.302 -8.209 -4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.853 -9.401 -5.909 1.00 0.00 H new ATOM 0 HE ARG A 98 3.581 -10.145 -6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.868 -7.532 -3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.197 -6.998 -4.091 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.437 -9.424 -6.535 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.826 -8.065 -5.585 1.00 0.00 H new ATOM 1362 N THR A 99 7.265 -10.560 -1.253 1.00 0.00 N ATOM 1363 CA THR A 99 8.473 -10.218 -0.527 1.00 0.00 C ATOM 1364 C THR A 99 9.282 -9.153 -1.265 1.00 0.00 C ATOM 1365 O THR A 99 9.629 -9.318 -2.436 1.00 0.00 O ATOM 1366 CB THR A 99 9.346 -11.471 -0.318 1.00 0.00 C ATOM 1367 OG1 THR A 99 8.560 -12.524 0.262 1.00 0.00 O ATOM 1368 CG2 THR A 99 10.529 -11.167 0.584 1.00 0.00 C ATOM 0 H THR A 99 7.427 -10.960 -2.177 1.00 0.00 H new ATOM 0 HA THR A 99 8.173 -9.817 0.441 1.00 0.00 H new ATOM 0 HB THR A 99 9.723 -11.787 -1.291 1.00 0.00 H new ATOM 0 HG1 THR A 99 9.120 -13.318 0.391 1.00 0.00 H new ATOM 0 HG21 THR A 99 11.128 -12.068 0.715 1.00 0.00 H new ATOM 0 HG22 THR A 99 11.141 -10.387 0.131 1.00 0.00 H new ATOM 0 HG23 THR A 99 10.168 -10.827 1.555 1.00 0.00 H new ATOM 1376 N ILE A 100 9.568 -8.059 -0.576 1.00 0.00 N ATOM 1377 CA ILE A 100 10.392 -6.995 -1.126 1.00 0.00 C ATOM 1378 C ILE A 100 11.836 -7.162 -0.676 1.00 0.00 C ATOM 1379 O ILE A 100 12.130 -7.114 0.518 1.00 0.00 O ATOM 1380 CB ILE A 100 9.904 -5.592 -0.692 1.00 0.00 C ATOM 1381 CG1 ILE A 100 8.467 -5.340 -1.145 1.00 0.00 C ATOM 1382 CG2 ILE A 100 10.819 -4.508 -1.244 1.00 0.00 C ATOM 1383 CD1 ILE A 100 8.286 -5.384 -2.648 1.00 0.00 C ATOM 0 H ILE A 100 9.238 -7.885 0.373 1.00 0.00 H new ATOM 0 HA ILE A 100 10.316 -7.069 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 100 9.932 -5.558 0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.815 -6.084 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.145 -4.366 -0.778 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.457 -3.530 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.831 -4.660 -0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.825 -4.557 -2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.241 -5.196 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.911 -4.621 -3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.576 -6.366 -3.021 1.00 0.00 H new ATOM 1395 N SER A 101 12.721 -7.393 -1.630 1.00 0.00 N ATOM 1396 CA SER A 101 14.152 -7.428 -1.356 1.00 0.00 C ATOM 1397 C SER A 101 14.628 -6.051 -0.888 1.00 0.00 C ATOM 1398 O SER A 101 14.181 -5.029 -1.412 1.00 0.00 O ATOM 1399 CB SER A 101 14.917 -7.854 -2.613 1.00 0.00 C ATOM 1400 OG SER A 101 16.314 -7.896 -2.383 1.00 0.00 O ATOM 0 H SER A 101 12.475 -7.560 -2.606 1.00 0.00 H new ATOM 0 HA SER A 101 14.345 -8.154 -0.566 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.571 -8.836 -2.935 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.702 -7.158 -3.424 1.00 0.00 H new ATOM 0 HG SER A 101 16.772 -8.173 -3.204 1.00 0.00 H new ATOM 1406 N ALA A 102 15.530 -6.037 0.091 1.00 0.00 N ATOM 1407 CA ALA A 102 16.031 -4.794 0.683 1.00 0.00 C ATOM 1408 C ALA A 102 16.571 -3.821 -0.365 1.00 0.00 C ATOM 1409 O ALA A 102 16.428 -2.606 -0.224 1.00 0.00 O ATOM 1410 CB ALA A 102 17.111 -5.100 1.711 1.00 0.00 C ATOM 0 H ALA A 102 15.934 -6.881 0.496 1.00 0.00 H new ATOM 0 HA ALA A 102 15.185 -4.309 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.476 -4.168 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 102 16.696 -5.728 2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.936 -5.623 1.227 1.00 0.00 H new ATOM 1416 N SER A 103 17.187 -4.354 -1.413 1.00 0.00 N ATOM 1417 CA SER A 103 17.744 -3.523 -2.472 1.00 0.00 C ATOM 1418 C SER A 103 16.643 -2.733 -3.182 1.00 0.00 C ATOM 1419 O SER A 103 16.776 -1.531 -3.415 1.00 0.00 O ATOM 1420 CB SER A 103 18.508 -4.395 -3.465 1.00 0.00 C ATOM 1421 OG SER A 103 19.495 -5.165 -2.794 1.00 0.00 O ATOM 0 H SER A 103 17.313 -5.357 -1.552 1.00 0.00 H new ATOM 0 HA SER A 103 18.434 -2.806 -2.027 1.00 0.00 H new ATOM 0 HB2 SER A 103 17.815 -5.056 -3.986 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.980 -3.768 -4.221 1.00 0.00 H new ATOM 0 HG SER A 103 19.975 -5.720 -3.444 1.00 0.00 H new ATOM 1427 N GLU A 104 15.548 -3.411 -3.500 1.00 0.00 N ATOM 1428 CA GLU A 104 14.394 -2.762 -4.113 1.00 0.00 C ATOM 1429 C GLU A 104 13.654 -1.919 -3.085 1.00 0.00 C ATOM 1430 O GLU A 104 13.099 -0.869 -3.406 1.00 0.00 O ATOM 1431 CB GLU A 104 13.451 -3.806 -4.716 1.00 0.00 C ATOM 1432 CG GLU A 104 13.795 -4.200 -6.143 1.00 0.00 C ATOM 1433 CD GLU A 104 15.224 -4.667 -6.305 1.00 0.00 C ATOM 1434 OE1 GLU A 104 15.508 -5.846 -6.020 1.00 0.00 O ATOM 1435 OE2 GLU A 104 16.068 -3.855 -6.732 1.00 0.00 O ATOM 0 H GLU A 104 15.434 -4.412 -3.344 1.00 0.00 H new ATOM 0 HA GLU A 104 14.748 -2.110 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.466 -4.698 -4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.433 -3.417 -4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.122 -4.994 -6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 104 13.622 -3.348 -6.800 1.00 0.00 H new ATOM 1442 N ALA A 105 13.671 -2.386 -1.846 1.00 0.00 N ATOM 1443 CA ALA A 105 13.035 -1.687 -0.737 1.00 0.00 C ATOM 1444 C ALA A 105 13.631 -0.297 -0.544 1.00 0.00 C ATOM 1445 O ALA A 105 12.935 0.637 -0.155 1.00 0.00 O ATOM 1446 CB ALA A 105 13.179 -2.505 0.535 1.00 0.00 C ATOM 0 H ALA A 105 14.125 -3.260 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 105 11.977 -1.565 -0.970 1.00 0.00 H new ATOM 0 HB1 ALA A 105 12.702 -1.979 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 105 12.702 -3.476 0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.236 -2.648 0.758 1.00 0.00 H new ATOM 1452 N GLY A 106 14.923 -0.169 -0.824 1.00 0.00 N ATOM 1453 CA GLY A 106 15.587 1.117 -0.716 1.00 0.00 C ATOM 1454 C GLY A 106 15.208 2.064 -1.841 1.00 0.00 C ATOM 1455 O GLY A 106 15.538 3.248 -1.803 1.00 0.00 O ATOM 0 H GLY A 106 15.525 -0.936 -1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.333 1.574 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.667 0.966 -0.721 1.00 0.00 H new ATOM 1459 N ASN A 107 14.518 1.540 -2.845 1.00 0.00 N ATOM 1460 CA ASN A 107 14.061 2.351 -3.969 1.00 0.00 C ATOM 1461 C ASN A 107 12.608 2.758 -3.786 1.00 0.00 C ATOM 1462 O ASN A 107 12.257 3.924 -3.964 1.00 0.00 O ATOM 1463 CB ASN A 107 14.215 1.590 -5.294 1.00 0.00 C ATOM 1464 CG ASN A 107 13.548 2.308 -6.463 1.00 0.00 C ATOM 1465 OD1 ASN A 107 14.161 3.139 -7.132 1.00 0.00 O ATOM 1466 ND2 ASN A 107 12.287 1.979 -6.724 1.00 0.00 N ATOM 0 H ASN A 107 14.261 0.555 -2.905 1.00 0.00 H new ATOM 0 HA ASN A 107 14.681 3.247 -4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 107 15.275 1.457 -5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.783 0.595 -5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 107 11.795 2.420 -7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 107 11.811 1.285 -6.147 1.00 0.00 H new ATOM 1473 N TYR A 108 11.770 1.794 -3.427 1.00 0.00 N ATOM 1474 CA TYR A 108 10.340 2.017 -3.368 1.00 0.00 C ATOM 1475 C TYR A 108 9.971 3.009 -2.270 1.00 0.00 C ATOM 1476 O TYR A 108 10.465 2.927 -1.144 1.00 0.00 O ATOM 1477 CB TYR A 108 9.624 0.697 -3.135 1.00 0.00 C ATOM 1478 CG TYR A 108 9.844 -0.341 -4.216 1.00 0.00 C ATOM 1479 CD1 TYR A 108 9.778 -0.007 -5.563 1.00 0.00 C ATOM 1480 CD2 TYR A 108 10.103 -1.662 -3.883 1.00 0.00 C ATOM 1481 CE1 TYR A 108 9.967 -0.964 -6.543 1.00 0.00 C ATOM 1482 CE2 TYR A 108 10.289 -2.621 -4.852 1.00 0.00 C ATOM 1483 CZ TYR A 108 10.222 -2.269 -6.183 1.00 0.00 C ATOM 1484 OH TYR A 108 10.408 -3.228 -7.153 1.00 0.00 O ATOM 0 H TYR A 108 12.061 0.850 -3.173 1.00 0.00 H new ATOM 0 HA TYR A 108 10.026 2.443 -4.321 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.953 0.284 -2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.555 0.890 -3.047 1.00 0.00 H new ATOM 0 HD1 TYR A 108 9.576 1.015 -5.849 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.160 -1.944 -2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 108 9.915 -0.690 -7.586 1.00 0.00 H new ATOM 0 HE2 TYR A 108 10.487 -3.645 -4.571 1.00 0.00 H new ATOM 0 HH TYR A 108 10.579 -4.094 -6.728 1.00 0.00 H new ATOM 1494 N ASN A 109 9.093 3.939 -2.614 1.00 0.00 N ATOM 1495 CA ASN A 109 8.650 4.965 -1.680 1.00 0.00 C ATOM 1496 C ASN A 109 7.606 4.408 -0.724 1.00 0.00 C ATOM 1497 O ASN A 109 7.027 3.350 -0.967 1.00 0.00 O ATOM 1498 CB ASN A 109 8.062 6.162 -2.433 1.00 0.00 C ATOM 1499 CG ASN A 109 9.073 6.851 -3.327 1.00 0.00 C ATOM 1500 OD1 ASN A 109 9.236 6.493 -4.492 1.00 0.00 O ATOM 1501 ND2 ASN A 109 9.755 7.849 -2.789 1.00 0.00 N ATOM 0 H ASN A 109 8.670 4.005 -3.540 1.00 0.00 H new ATOM 0 HA ASN A 109 9.518 5.293 -1.108 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.219 5.826 -3.037 1.00 0.00 H new ATOM 0 HB3 ASN A 109 7.671 6.881 -1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 109 10.446 8.353 -3.345 1.00 0.00 H new ATOM 0 HD22 ASN A 109 9.590 8.115 -1.818 1.00 0.00 H new ATOM 1508 N TYR A 110 7.374 5.124 0.364 1.00 0.00 N ATOM 1509 CA TYR A 110 6.330 4.778 1.311 1.00 0.00 C ATOM 1510 C TYR A 110 5.807 6.064 1.938 1.00 0.00 C ATOM 1511 O TYR A 110 6.557 7.034 2.067 1.00 0.00 O ATOM 1512 CB TYR A 110 6.860 3.795 2.371 1.00 0.00 C ATOM 1513 CG TYR A 110 7.734 4.388 3.458 1.00 0.00 C ATOM 1514 CD1 TYR A 110 8.624 5.421 3.205 1.00 0.00 C ATOM 1515 CD2 TYR A 110 7.657 3.901 4.752 1.00 0.00 C ATOM 1516 CE1 TYR A 110 9.405 5.950 4.208 1.00 0.00 C ATOM 1517 CE2 TYR A 110 8.438 4.422 5.760 1.00 0.00 C ATOM 1518 CZ TYR A 110 9.310 5.451 5.482 1.00 0.00 C ATOM 1519 OH TYR A 110 10.086 5.990 6.481 1.00 0.00 O ATOM 0 H TYR A 110 7.903 5.959 0.614 1.00 0.00 H new ATOM 0 HA TYR A 110 5.510 4.272 0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.007 3.310 2.845 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.428 3.016 1.862 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.706 5.817 2.204 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.971 3.097 4.975 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.091 6.756 3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.367 4.026 6.762 1.00 0.00 H new ATOM 0 HH TYR A 110 9.538 6.130 7.281 1.00 0.00 H new ATOM 1529 N ILE A 111 4.537 6.111 2.299 1.00 0.00 N ATOM 1530 CA ILE A 111 3.980 7.349 2.797 1.00 0.00 C ATOM 1531 C ILE A 111 3.673 7.259 4.287 1.00 0.00 C ATOM 1532 O ILE A 111 2.997 6.340 4.751 1.00 0.00 O ATOM 1533 CB ILE A 111 2.724 7.777 2.001 1.00 0.00 C ATOM 1534 CG1 ILE A 111 1.562 6.814 2.232 1.00 0.00 C ATOM 1535 CG2 ILE A 111 3.054 7.845 0.515 1.00 0.00 C ATOM 1536 CD1 ILE A 111 0.276 7.252 1.568 1.00 0.00 C ATOM 0 H ILE A 111 3.888 5.325 2.258 1.00 0.00 H new ATOM 0 HA ILE A 111 4.738 8.119 2.654 1.00 0.00 H new ATOM 0 HB ILE A 111 2.419 8.762 2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.838 5.828 1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 111 1.392 6.712 3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.167 8.147 -0.041 1.00 0.00 H new ATOM 0 HG22 ILE A 111 3.849 8.572 0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 111 3.383 6.865 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.507 6.522 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.023 8.224 1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.429 7.326 0.491 1.00 0.00 H new ATOM 1548 N HIS A 112 4.230 8.194 5.034 1.00 0.00 N ATOM 1549 CA HIS A 112 3.961 8.321 6.457 1.00 0.00 C ATOM 1550 C HIS A 112 2.885 9.361 6.681 1.00 0.00 C ATOM 1551 O HIS A 112 2.454 10.020 5.742 1.00 0.00 O ATOM 1552 CB HIS A 112 5.226 8.737 7.212 1.00 0.00 C ATOM 1553 CG HIS A 112 5.988 7.601 7.803 1.00 0.00 C ATOM 1554 ND1 HIS A 112 5.865 7.236 9.126 1.00 0.00 N ATOM 1555 CD2 HIS A 112 6.898 6.759 7.262 1.00 0.00 C ATOM 1556 CE1 HIS A 112 6.664 6.222 9.376 1.00 0.00 C ATOM 1557 NE2 HIS A 112 7.305 5.910 8.268 1.00 0.00 N ATOM 0 H HIS A 112 4.883 8.889 4.672 1.00 0.00 H new ATOM 0 HA HIS A 112 3.628 7.353 6.832 1.00 0.00 H new ATOM 0 HB2 HIS A 112 5.879 9.282 6.531 1.00 0.00 H new ATOM 0 HB3 HIS A 112 4.949 9.427 8.009 1.00 0.00 H new ATOM 0 HD2 HIS A 112 7.240 6.753 6.238 1.00 0.00 H new ATOM 0 HE1 HIS A 112 6.776 5.728 10.330 1.00 0.00 H new ATOM 0 HE2 HIS A 112 7.991 5.162 8.171 1.00 0.00 H new ATOM 1566 N ILE A 113 2.457 9.508 7.917 1.00 0.00 N ATOM 1567 CA ILE A 113 1.506 10.548 8.263 1.00 0.00 C ATOM 1568 C ILE A 113 2.259 11.851 8.514 1.00 0.00 C ATOM 1569 O ILE A 113 2.412 12.238 9.693 1.00 0.00 O ATOM 1570 CB ILE A 113 0.686 10.181 9.520 1.00 0.00 C ATOM 1571 CG1 ILE A 113 0.274 8.708 9.482 1.00 0.00 C ATOM 1572 CG2 ILE A 113 -0.547 11.073 9.626 1.00 0.00 C ATOM 1573 CD1 ILE A 113 -0.458 8.244 10.725 1.00 0.00 C ATOM 1574 OXT ILE A 113 2.736 12.460 7.536 1.00 0.00 O ATOM 0 H ILE A 113 2.751 8.923 8.699 1.00 0.00 H new ATOM 0 HA ILE A 113 0.811 10.661 7.431 1.00 0.00 H new ATOM 0 HB ILE A 113 1.311 10.342 10.399 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.363 8.541 8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.165 8.095 9.346 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -1.116 10.804 10.516 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.237 12.116 9.695 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.171 10.938 8.742 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.717 7.190 10.623 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.184 8.377 11.596 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.368 8.830 10.852 1.00 0.00 H new TER 1586 ILE A 113