USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 696 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 Single : A 3 GLN : amide:sc= -0.0104 X(o=-0.01,f=-0.01) USER MOD Single : A 5 GLN : amide:sc=-7.72e-05 X(o=-7.7e-05,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 9 ASN : amide:sc= -1.83 K(o=-1.8,f=-2.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 165:sc= -4.41! USER MOD Single : A 41 ASN :FLIP amide:sc= -2.37! C(o=-3.2!,f=-2.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00674 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -77:sc= 0.703 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.586 X(o=-0.59,f=-0.9) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -74:sc= 0.41 USER MOD Single : A 79 GLN : amide:sc= -2.21 K(o=-2.2,f=-3.4!) USER MOD Single : A 80 GLN : amide:sc= -0.838 X(o=-0.84,f=-0.45) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.619 K(o=-0.62,f=-4.7!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.383) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.435 5.778 -15.612 1.00 0.00 N ATOM 32 CA GLN A 3 -6.121 4.686 -14.855 1.00 0.00 C ATOM 33 C GLN A 3 -6.462 5.156 -13.431 1.00 0.00 C ATOM 34 O GLN A 3 -5.665 5.008 -12.523 1.00 0.00 O ATOM 35 CB GLN A 3 -5.114 3.532 -14.813 1.00 0.00 C ATOM 36 CG GLN A 3 -5.510 2.460 -15.831 1.00 0.00 C ATOM 37 CD GLN A 3 -5.400 3.033 -17.250 1.00 0.00 C ATOM 38 OE1 GLN A 3 -4.322 3.096 -17.805 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.475 3.459 -17.868 1.00 0.00 N ATOM 0 HA GLN A 3 -7.059 4.389 -15.324 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.113 3.903 -15.033 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.082 3.102 -13.812 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.862 1.589 -15.728 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.529 2.123 -15.642 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.383 3.408 -17.406 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.403 3.841 -18.811 1.00 0.00 H new ATOM 48 N GLU A 4 -7.640 5.710 -13.224 1.00 0.00 N ATOM 49 CA GLU A 4 -8.016 6.171 -11.844 1.00 0.00 C ATOM 50 C GLU A 4 -8.796 5.065 -11.122 1.00 0.00 C ATOM 51 O GLU A 4 -8.576 4.817 -9.951 1.00 0.00 O ATOM 52 CB GLU A 4 -8.889 7.418 -12.031 1.00 0.00 C ATOM 53 CG GLU A 4 -8.046 8.548 -12.627 1.00 0.00 C ATOM 54 CD GLU A 4 -8.683 9.896 -12.282 1.00 0.00 C ATOM 55 OE1 GLU A 4 -9.745 10.179 -12.810 1.00 0.00 O ATOM 56 OE2 GLU A 4 -8.096 10.623 -11.497 1.00 0.00 O ATOM 0 H GLU A 4 -8.348 5.861 -13.942 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.138 6.399 -11.240 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.729 7.192 -12.688 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.308 7.729 -11.074 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.030 8.503 -12.236 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.976 8.433 -13.709 1.00 0.00 H new ATOM 63 N GLN A 5 -9.697 4.384 -11.807 1.00 0.00 N ATOM 64 CA GLN A 5 -10.468 3.275 -11.127 1.00 0.00 C ATOM 65 C GLN A 5 -9.483 2.263 -10.510 1.00 0.00 C ATOM 66 O GLN A 5 -9.704 1.766 -9.422 1.00 0.00 O ATOM 67 CB GLN A 5 -11.358 2.608 -12.198 1.00 0.00 C ATOM 68 CG GLN A 5 -10.497 1.954 -13.286 1.00 0.00 C ATOM 69 CD GLN A 5 -11.406 1.264 -14.310 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.370 1.587 -15.480 1.00 0.00 O ATOM 71 NE2 GLN A 5 -12.227 0.318 -13.923 1.00 0.00 N ATOM 0 H GLN A 5 -9.930 4.542 -12.787 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.090 3.661 -10.320 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.996 1.857 -11.732 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -12.016 3.352 -12.646 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.881 2.706 -13.779 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.817 1.228 -12.840 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.261 0.043 -12.941 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.831 -0.143 -14.603 1.00 0.00 H new ATOM 80 N TYR A 6 -8.379 1.990 -11.177 1.00 0.00 N ATOM 81 CA TYR A 6 -7.367 1.047 -10.585 1.00 0.00 C ATOM 82 C TYR A 6 -6.659 1.764 -9.424 1.00 0.00 C ATOM 83 O TYR A 6 -6.384 1.174 -8.399 1.00 0.00 O ATOM 84 CB TYR A 6 -6.355 0.719 -11.696 1.00 0.00 C ATOM 85 CG TYR A 6 -6.970 -0.243 -12.683 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.736 0.241 -13.750 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.768 -1.620 -12.533 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.302 -0.654 -14.666 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.332 -2.514 -13.447 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.101 -2.032 -14.515 1.00 0.00 C ATOM 91 OH TYR A 6 -8.658 -2.914 -15.417 1.00 0.00 O ATOM 0 H TYR A 6 -8.138 2.373 -12.091 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.830 0.134 -10.211 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.053 1.634 -12.206 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.455 0.283 -11.263 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.890 1.304 -13.867 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.176 -1.992 -11.710 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.894 -0.282 -15.489 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.175 -3.576 -13.330 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.420 -3.831 -15.167 1.00 0.00 H new ATOM 101 N THR A 7 -6.368 3.041 -9.583 1.00 0.00 N ATOM 102 CA THR A 7 -5.681 3.802 -8.482 1.00 0.00 C ATOM 103 C THR A 7 -6.571 3.834 -7.231 1.00 0.00 C ATOM 104 O THR A 7 -6.087 3.687 -6.123 1.00 0.00 O ATOM 105 CB THR A 7 -5.461 5.230 -9.026 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.602 5.172 -10.156 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.833 6.134 -7.960 1.00 0.00 C ATOM 0 H THR A 7 -6.575 3.584 -10.421 1.00 0.00 H new ATOM 0 HA THR A 7 -4.737 3.337 -8.197 1.00 0.00 H new ATOM 0 HB THR A 7 -6.428 5.647 -9.306 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.111 4.874 -10.939 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.689 7.134 -8.370 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.493 6.188 -7.094 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.870 5.724 -7.657 1.00 0.00 H new ATOM 115 N GLU A 8 -7.863 4.027 -7.391 1.00 0.00 N ATOM 116 CA GLU A 8 -8.758 4.066 -6.181 1.00 0.00 C ATOM 117 C GLU A 8 -8.846 2.673 -5.552 1.00 0.00 C ATOM 118 O GLU A 8 -8.806 2.536 -4.344 1.00 0.00 O ATOM 119 CB GLU A 8 -10.142 4.532 -6.658 1.00 0.00 C ATOM 120 CG GLU A 8 -10.110 6.037 -6.930 1.00 0.00 C ATOM 121 CD GLU A 8 -11.540 6.570 -7.029 1.00 0.00 C ATOM 122 OE1 GLU A 8 -12.385 5.851 -7.536 1.00 0.00 O ATOM 123 OE2 GLU A 8 -11.766 7.687 -6.595 1.00 0.00 O ATOM 0 H GLU A 8 -8.331 4.157 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.367 4.746 -5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.426 3.995 -7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.894 4.304 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.574 6.550 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.571 6.238 -7.856 1.00 0.00 H new ATOM 130 N ASN A 9 -8.942 1.636 -6.355 1.00 0.00 N ATOM 131 CA ASN A 9 -9.002 0.254 -5.766 1.00 0.00 C ATOM 132 C ASN A 9 -7.605 -0.153 -5.281 1.00 0.00 C ATOM 133 O ASN A 9 -7.466 -0.783 -4.250 1.00 0.00 O ATOM 134 CB ASN A 9 -9.489 -0.689 -6.874 1.00 0.00 C ATOM 135 CG ASN A 9 -10.938 -0.345 -7.241 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.208 0.736 -7.727 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.891 -1.219 -7.030 1.00 0.00 N ATOM 0 H ASN A 9 -8.981 1.683 -7.373 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.679 0.212 -4.913 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.849 -0.597 -7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.424 -1.724 -6.539 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.855 -0.991 -7.273 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.669 -2.127 -6.622 1.00 0.00 H new ATOM 144 N LEU A 10 -6.563 0.221 -6.000 1.00 0.00 N ATOM 145 CA LEU A 10 -5.180 -0.140 -5.538 1.00 0.00 C ATOM 146 C LEU A 10 -4.851 0.636 -4.254 1.00 0.00 C ATOM 147 O LEU A 10 -4.213 0.110 -3.361 1.00 0.00 O ATOM 148 CB LEU A 10 -4.211 0.253 -6.665 1.00 0.00 C ATOM 149 CG LEU A 10 -2.785 -0.147 -6.275 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.691 -1.670 -6.163 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.807 0.344 -7.344 1.00 0.00 C ATOM 0 H LEU A 10 -6.611 0.751 -6.870 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.099 -1.205 -5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.497 -0.240 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.262 1.327 -6.845 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.534 0.304 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.675 -1.952 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.387 -2.022 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.944 -2.122 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.792 0.060 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.061 -0.106 -8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.870 1.429 -7.424 1.00 0.00 H new ATOM 163 N LYS A 11 -5.285 1.878 -4.145 1.00 0.00 N ATOM 164 CA LYS A 11 -4.983 2.659 -2.891 1.00 0.00 C ATOM 165 C LYS A 11 -5.568 1.947 -1.661 1.00 0.00 C ATOM 166 O LYS A 11 -4.997 2.006 -0.588 1.00 0.00 O ATOM 167 CB LYS A 11 -5.629 4.044 -3.059 1.00 0.00 C ATOM 168 CG LYS A 11 -5.115 4.983 -1.966 1.00 0.00 C ATOM 169 CD LYS A 11 -6.110 6.127 -1.765 1.00 0.00 C ATOM 170 CE LYS A 11 -7.095 5.759 -0.654 1.00 0.00 C ATOM 171 NZ LYS A 11 -7.645 7.060 -0.182 1.00 0.00 N ATOM 0 H LYS A 11 -5.824 2.376 -4.854 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.907 2.745 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.393 4.450 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.714 3.960 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.983 4.434 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.139 5.381 -2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.579 7.043 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.648 6.322 -2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.886 5.108 -1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.597 5.224 0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.330 6.891 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.870 7.656 0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.119 7.543 -0.971 1.00 0.00 H new ATOM 185 N VAL A 12 -6.692 1.267 -1.797 1.00 0.00 N ATOM 186 CA VAL A 12 -7.272 0.557 -0.605 1.00 0.00 C ATOM 187 C VAL A 12 -6.399 -0.655 -0.259 1.00 0.00 C ATOM 188 O VAL A 12 -6.016 -0.841 0.881 1.00 0.00 O ATOM 189 CB VAL A 12 -8.687 0.109 -1.000 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.332 -0.650 0.160 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.535 1.338 -1.335 1.00 0.00 C ATOM 0 H VAL A 12 -7.222 1.175 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.308 1.205 0.271 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.627 -0.544 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.336 -0.966 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.730 -1.527 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.390 0.000 1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.540 1.021 -1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.590 1.990 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.080 1.879 -2.165 1.00 0.00 H new ATOM 201 N ILE A 13 -6.071 -1.473 -1.233 1.00 0.00 N ATOM 202 CA ILE A 13 -5.205 -2.666 -0.935 1.00 0.00 C ATOM 203 C ILE A 13 -3.822 -2.195 -0.462 1.00 0.00 C ATOM 204 O ILE A 13 -3.230 -2.802 0.411 1.00 0.00 O ATOM 205 CB ILE A 13 -5.097 -3.479 -2.237 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.508 -3.893 -2.701 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.250 -4.732 -1.985 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.718 -3.490 -4.164 1.00 0.00 C ATOM 0 H ILE A 13 -6.359 -1.371 -2.206 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.630 -3.281 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.626 -2.872 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.635 -4.970 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.261 -3.417 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.172 -5.310 -2.906 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.253 -4.437 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.722 -5.341 -1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.717 -3.786 -4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.611 -2.410 -4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.975 -3.987 -4.788 1.00 0.00 H new ATOM 220 N VAL A 14 -3.308 -1.107 -1.006 1.00 0.00 N ATOM 221 CA VAL A 14 -1.964 -0.612 -0.535 1.00 0.00 C ATOM 222 C VAL A 14 -2.061 -0.251 0.958 1.00 0.00 C ATOM 223 O VAL A 14 -1.164 -0.542 1.727 1.00 0.00 O ATOM 224 CB VAL A 14 -1.626 0.635 -1.374 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.288 1.224 -0.915 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.525 0.240 -2.851 1.00 0.00 C ATOM 0 H VAL A 14 -3.749 -0.552 -1.739 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.188 -1.368 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.411 1.380 -1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.055 2.106 -1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.356 1.505 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.499 0.481 -1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.286 1.120 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.740 -0.506 -2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.477 -0.175 -3.182 1.00 0.00 H new ATOM 236 N ALA A 15 -3.153 0.363 1.378 1.00 0.00 N ATOM 237 CA ALA A 15 -3.293 0.712 2.837 1.00 0.00 C ATOM 238 C ALA A 15 -3.406 -0.571 3.688 1.00 0.00 C ATOM 239 O ALA A 15 -3.028 -0.574 4.844 1.00 0.00 O ATOM 240 CB ALA A 15 -4.575 1.549 2.973 1.00 0.00 C ATOM 0 H ALA A 15 -3.938 0.633 0.786 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.422 1.266 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.719 1.827 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.487 2.450 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.429 0.964 2.632 1.00 0.00 H new ATOM 246 N GLU A 16 -3.920 -1.667 3.141 1.00 0.00 N ATOM 247 CA GLU A 16 -4.036 -2.936 3.959 1.00 0.00 C ATOM 248 C GLU A 16 -2.675 -3.279 4.584 1.00 0.00 C ATOM 249 O GLU A 16 -2.592 -3.632 5.745 1.00 0.00 O ATOM 250 CB GLU A 16 -4.464 -4.051 2.990 1.00 0.00 C ATOM 251 CG GLU A 16 -4.809 -5.312 3.784 1.00 0.00 C ATOM 252 CD GLU A 16 -4.680 -6.537 2.878 1.00 0.00 C ATOM 253 OE1 GLU A 16 -5.515 -6.694 2.003 1.00 0.00 O ATOM 254 OE2 GLU A 16 -3.747 -7.299 3.074 1.00 0.00 O ATOM 0 H GLU A 16 -4.258 -1.736 2.181 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.759 -2.820 4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.326 -3.729 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.661 -4.261 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.142 -5.409 4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.824 -5.242 4.176 1.00 0.00 H new ATOM 261 N LYS A 17 -1.606 -3.148 3.828 1.00 0.00 N ATOM 262 CA LYS A 17 -0.247 -3.438 4.401 1.00 0.00 C ATOM 263 C LYS A 17 0.301 -2.153 5.042 1.00 0.00 C ATOM 264 O LYS A 17 0.854 -2.180 6.124 1.00 0.00 O ATOM 265 CB LYS A 17 0.638 -3.878 3.226 1.00 0.00 C ATOM 266 CG LYS A 17 2.015 -4.291 3.751 1.00 0.00 C ATOM 267 CD LYS A 17 1.910 -5.649 4.447 1.00 0.00 C ATOM 268 CE LYS A 17 2.900 -5.704 5.613 1.00 0.00 C ATOM 269 NZ LYS A 17 2.265 -6.605 6.614 1.00 0.00 N ATOM 0 H LYS A 17 -1.614 -2.856 2.851 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.277 -4.215 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.173 -4.711 2.699 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.740 -3.064 2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.728 -4.346 2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.390 -3.541 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.894 -5.805 4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.122 -6.450 3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.867 -6.090 5.292 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.075 -4.712 6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.885 -6.693 7.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.349 -6.208 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.117 -7.544 6.191 1.00 0.00 H new ATOM 283 N LEU A 18 0.128 -1.018 4.389 1.00 0.00 N ATOM 284 CA LEU A 18 0.618 0.282 4.974 1.00 0.00 C ATOM 285 C LEU A 18 0.009 0.477 6.368 1.00 0.00 C ATOM 286 O LEU A 18 0.715 0.598 7.352 1.00 0.00 O ATOM 287 CB LEU A 18 0.107 1.387 4.025 1.00 0.00 C ATOM 288 CG LEU A 18 1.190 2.422 3.759 1.00 0.00 C ATOM 289 CD1 LEU A 18 2.420 1.746 3.128 1.00 0.00 C ATOM 290 CD2 LEU A 18 0.618 3.466 2.795 1.00 0.00 C ATOM 0 H LEU A 18 -0.329 -0.937 3.481 1.00 0.00 H new ATOM 0 HA LEU A 18 1.704 0.302 5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.215 0.942 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.765 1.873 4.463 1.00 0.00 H new ATOM 0 HG LEU A 18 1.498 2.894 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.190 2.494 2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.808 0.988 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.134 1.276 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.375 4.222 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.325 2.980 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.253 3.940 3.247 1.00 0.00 H new ATOM 302 N ALA A 19 -1.303 0.491 6.456 1.00 0.00 N ATOM 303 CA ALA A 19 -1.957 0.657 7.801 1.00 0.00 C ATOM 304 C ALA A 19 -1.607 -0.540 8.708 1.00 0.00 C ATOM 305 O ALA A 19 -1.570 -0.410 9.917 1.00 0.00 O ATOM 306 CB ALA A 19 -3.474 0.702 7.552 1.00 0.00 C ATOM 0 H ALA A 19 -1.943 0.396 5.668 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.613 1.565 8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.995 0.822 8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.711 1.542 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.793 -0.226 7.078 1.00 0.00 H new ATOM 312 N GLY A 20 -1.357 -1.711 8.140 1.00 0.00 N ATOM 313 CA GLY A 20 -1.022 -2.899 8.979 1.00 0.00 C ATOM 314 C GLY A 20 0.411 -2.794 9.531 1.00 0.00 C ATOM 315 O GLY A 20 0.682 -3.274 10.616 1.00 0.00 O ATOM 0 H GLY A 20 -1.373 -1.883 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.729 -2.977 9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.122 -3.808 8.386 1.00 0.00 H new ATOM 319 N ILE A 21 1.341 -2.189 8.806 1.00 0.00 N ATOM 320 CA ILE A 21 2.758 -2.094 9.339 1.00 0.00 C ATOM 321 C ILE A 21 2.752 -1.492 10.769 1.00 0.00 C ATOM 322 O ILE A 21 2.106 -0.490 11.004 1.00 0.00 O ATOM 323 CB ILE A 21 3.530 -1.192 8.351 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.700 -1.943 7.026 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.917 -0.842 8.903 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.683 -0.957 5.855 1.00 0.00 C ATOM 0 H ILE A 21 1.188 -1.766 7.891 1.00 0.00 H new ATOM 0 HA ILE A 21 3.230 -3.074 9.414 1.00 0.00 H new ATOM 0 HB ILE A 21 2.968 -0.270 8.204 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.639 -2.497 7.031 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.900 -2.673 6.908 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.442 -0.206 8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.809 -0.313 9.850 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.487 -1.757 9.062 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.805 -1.502 4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.733 -0.423 5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.499 -0.244 5.968 1.00 0.00 H new ATOM 338 N PRO A 22 3.463 -2.129 11.685 1.00 0.00 N ATOM 339 CA PRO A 22 3.507 -1.633 13.090 1.00 0.00 C ATOM 340 C PRO A 22 4.286 -0.308 13.215 1.00 0.00 C ATOM 341 O PRO A 22 4.080 0.435 14.156 1.00 0.00 O ATOM 342 CB PRO A 22 4.218 -2.752 13.846 1.00 0.00 C ATOM 343 CG PRO A 22 5.034 -3.457 12.814 1.00 0.00 C ATOM 344 CD PRO A 22 4.282 -3.343 11.516 1.00 0.00 C ATOM 0 HA PRO A 22 2.512 -1.414 13.477 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.847 -2.353 14.642 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.503 -3.429 14.314 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.023 -3.007 12.729 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.182 -4.502 13.085 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.961 -3.252 10.668 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.662 -4.221 11.335 1.00 0.00 H new ATOM 415 N ASP A 27 1.817 9.753 8.295 1.00 0.00 N ATOM 416 CA ASP A 27 2.209 9.688 6.848 1.00 0.00 C ATOM 417 C ASP A 27 1.890 8.303 6.251 1.00 0.00 C ATOM 418 O ASP A 27 2.631 7.801 5.426 1.00 0.00 O ATOM 419 CB ASP A 27 3.718 9.949 6.821 1.00 0.00 C ATOM 420 CG ASP A 27 3.978 11.453 6.929 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.833 12.133 5.926 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.317 11.900 8.012 1.00 0.00 O ATOM 0 HA ASP A 27 1.659 10.417 6.253 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.203 9.425 7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.149 9.560 5.898 1.00 0.00 H new ATOM 427 N ILE A 28 0.794 7.685 6.649 1.00 0.00 N ATOM 428 CA ILE A 28 0.448 6.340 6.078 1.00 0.00 C ATOM 429 C ILE A 28 -0.525 6.492 4.893 1.00 0.00 C ATOM 430 O ILE A 28 -0.461 5.729 3.948 1.00 0.00 O ATOM 431 CB ILE A 28 -0.155 5.518 7.243 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.313 4.036 6.830 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.505 6.092 7.695 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.446 3.839 5.806 1.00 0.00 C ATOM 0 H ILE A 28 0.134 8.050 7.335 1.00 0.00 H new ATOM 0 HA ILE A 28 1.322 5.828 5.676 1.00 0.00 H new ATOM 0 HB ILE A 28 0.533 5.580 8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.625 3.676 6.407 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.516 3.433 7.715 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.900 5.491 8.514 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.369 7.120 8.032 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.206 6.074 6.860 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.521 2.783 5.545 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.389 4.174 6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.231 4.420 4.909 1.00 0.00 H new ATOM 446 N LYS A 29 -1.406 7.472 4.909 1.00 0.00 N ATOM 447 CA LYS A 29 -2.343 7.639 3.741 1.00 0.00 C ATOM 448 C LYS A 29 -1.568 8.199 2.539 1.00 0.00 C ATOM 449 O LYS A 29 -1.781 7.781 1.415 1.00 0.00 O ATOM 450 CB LYS A 29 -3.436 8.624 4.183 1.00 0.00 C ATOM 451 CG LYS A 29 -4.402 7.921 5.139 1.00 0.00 C ATOM 452 CD LYS A 29 -5.817 8.461 4.931 1.00 0.00 C ATOM 453 CE LYS A 29 -6.700 8.054 6.112 1.00 0.00 C ATOM 454 NZ LYS A 29 -8.071 8.504 5.740 1.00 0.00 N ATOM 0 H LYS A 29 -1.517 8.150 5.663 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.784 6.688 3.443 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.986 9.487 4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.976 8.998 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.384 6.845 4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.089 8.082 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.793 9.547 4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.233 8.072 4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.669 6.977 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.366 8.527 7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.735 8.260 6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.071 9.534 5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.364 8.033 4.861 1.00 0.00 H new ATOM 468 N TYR A 30 -0.657 9.129 2.759 1.00 0.00 N ATOM 469 CA TYR A 30 0.131 9.684 1.601 1.00 0.00 C ATOM 470 C TYR A 30 1.034 8.588 1.012 1.00 0.00 C ATOM 471 O TYR A 30 1.200 8.502 -0.190 1.00 0.00 O ATOM 472 CB TYR A 30 0.985 10.837 2.154 1.00 0.00 C ATOM 473 CG TYR A 30 0.142 12.086 2.250 1.00 0.00 C ATOM 474 CD1 TYR A 30 0.014 12.931 1.142 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.512 12.398 3.448 1.00 0.00 C ATOM 476 CE1 TYR A 30 -0.769 14.089 1.232 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.294 13.556 3.538 1.00 0.00 C ATOM 478 CZ TYR A 30 -1.423 14.400 2.429 1.00 0.00 C ATOM 479 OH TYR A 30 -2.195 15.541 2.517 1.00 0.00 O ATOM 0 H TYR A 30 -0.429 9.521 3.673 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.528 10.037 0.808 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.378 10.574 3.136 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.842 11.013 1.504 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.519 12.690 0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.413 11.745 4.303 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.868 14.742 0.377 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.797 13.798 4.463 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.579 15.607 3.416 1.00 0.00 H new ATOM 489 N VAL A 31 1.614 7.745 1.845 1.00 0.00 N ATOM 490 CA VAL A 31 2.501 6.650 1.304 1.00 0.00 C ATOM 491 C VAL A 31 1.677 5.742 0.368 1.00 0.00 C ATOM 492 O VAL A 31 2.158 5.329 -0.670 1.00 0.00 O ATOM 493 CB VAL A 31 3.062 5.895 2.546 1.00 0.00 C ATOM 494 CG1 VAL A 31 3.490 4.449 2.215 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.287 6.654 3.065 1.00 0.00 C ATOM 0 H VAL A 31 1.515 7.765 2.860 1.00 0.00 H new ATOM 0 HA VAL A 31 3.330 7.029 0.707 1.00 0.00 H new ATOM 0 HB VAL A 31 2.268 5.847 3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.873 3.968 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.630 3.891 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.269 4.466 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.693 6.138 3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.046 6.698 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.996 7.666 3.346 1.00 0.00 H new ATOM 505 N ALA A 32 0.443 5.438 0.714 1.00 0.00 N ATOM 506 CA ALA A 32 -0.381 4.560 -0.194 1.00 0.00 C ATOM 507 C ALA A 32 -0.647 5.300 -1.510 1.00 0.00 C ATOM 508 O ALA A 32 -0.504 4.736 -2.578 1.00 0.00 O ATOM 509 CB ALA A 32 -1.703 4.273 0.538 1.00 0.00 C ATOM 0 H ALA A 32 -0.023 5.751 1.566 1.00 0.00 H new ATOM 0 HA ALA A 32 0.135 3.629 -0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.333 3.638 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.495 3.765 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.219 5.212 0.738 1.00 0.00 H new ATOM 515 N GLU A 33 -1.018 6.563 -1.446 1.00 0.00 N ATOM 516 CA GLU A 33 -1.272 7.328 -2.721 1.00 0.00 C ATOM 517 C GLU A 33 0.018 7.378 -3.549 1.00 0.00 C ATOM 518 O GLU A 33 -0.002 7.174 -4.748 1.00 0.00 O ATOM 519 CB GLU A 33 -1.704 8.747 -2.315 1.00 0.00 C ATOM 520 CG GLU A 33 -3.225 8.791 -2.154 1.00 0.00 C ATOM 521 CD GLU A 33 -3.597 9.841 -1.105 1.00 0.00 C ATOM 522 OE1 GLU A 33 -3.488 11.018 -1.411 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.984 9.452 -0.017 1.00 0.00 O ATOM 0 H GLU A 33 -1.154 7.091 -0.584 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.045 6.853 -3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.220 9.033 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.387 9.465 -3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.695 9.031 -3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.598 7.812 -1.852 1.00 0.00 H new ATOM 530 N TYR A 34 1.145 7.626 -2.914 1.00 0.00 N ATOM 531 CA TYR A 34 2.440 7.658 -3.682 1.00 0.00 C ATOM 532 C TYR A 34 2.734 6.254 -4.227 1.00 0.00 C ATOM 533 O TYR A 34 3.165 6.099 -5.353 1.00 0.00 O ATOM 534 CB TYR A 34 3.532 8.095 -2.684 1.00 0.00 C ATOM 535 CG TYR A 34 4.911 8.137 -3.333 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.072 8.215 -4.731 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.043 8.118 -2.508 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.355 8.272 -5.287 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.323 8.171 -3.066 1.00 0.00 C ATOM 540 CZ TYR A 34 7.480 8.249 -4.454 1.00 0.00 C ATOM 541 OH TYR A 34 8.744 8.310 -5.002 1.00 0.00 O ATOM 0 H TYR A 34 1.226 7.805 -1.913 1.00 0.00 H new ATOM 0 HA TYR A 34 2.398 8.346 -4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.288 9.080 -2.287 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.549 7.406 -1.840 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.204 8.231 -5.374 1.00 0.00 H new ATOM 0 HD2 TYR A 34 5.926 8.062 -1.436 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.477 8.334 -6.358 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.192 8.152 -2.425 1.00 0.00 H new ATOM 0 HH TYR A 34 9.394 8.524 -4.301 1.00 0.00 H new ATOM 551 N ILE A 35 2.483 5.223 -3.440 1.00 0.00 N ATOM 552 CA ILE A 35 2.730 3.821 -3.937 1.00 0.00 C ATOM 553 C ILE A 35 1.870 3.577 -5.191 1.00 0.00 C ATOM 554 O ILE A 35 2.348 3.051 -6.179 1.00 0.00 O ATOM 555 CB ILE A 35 2.334 2.882 -2.775 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.398 2.980 -1.679 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.222 1.425 -3.249 1.00 0.00 C ATOM 558 CD1 ILE A 35 2.806 2.494 -0.358 1.00 0.00 C ATOM 0 H ILE A 35 2.123 5.290 -2.488 1.00 0.00 H new ATOM 0 HA ILE A 35 3.768 3.647 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 35 1.360 3.189 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.267 2.378 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.741 4.010 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.942 0.790 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.462 1.353 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.182 1.097 -3.648 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.560 2.562 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.950 3.115 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.484 1.458 -0.463 1.00 0.00 H new ATOM 570 N VAL A 36 0.615 3.977 -5.167 1.00 0.00 N ATOM 571 CA VAL A 36 -0.246 3.783 -6.388 1.00 0.00 C ATOM 572 C VAL A 36 0.328 4.627 -7.536 1.00 0.00 C ATOM 573 O VAL A 36 0.375 4.184 -8.666 1.00 0.00 O ATOM 574 CB VAL A 36 -1.665 4.250 -6.018 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.587 4.129 -7.235 1.00 0.00 C ATOM 576 CG2 VAL A 36 -2.207 3.372 -4.885 1.00 0.00 C ATOM 0 H VAL A 36 0.156 4.421 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.271 2.742 -6.710 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.628 5.291 -5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.590 4.461 -6.966 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.204 4.750 -8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.624 3.090 -7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.212 3.700 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.239 2.333 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.556 3.458 -4.015 1.00 0.00 H new ATOM 586 N LEU A 37 0.792 5.832 -7.253 1.00 0.00 N ATOM 587 CA LEU A 37 1.392 6.673 -8.354 1.00 0.00 C ATOM 588 C LEU A 37 2.600 5.928 -8.949 1.00 0.00 C ATOM 589 O LEU A 37 2.809 5.938 -10.148 1.00 0.00 O ATOM 590 CB LEU A 37 1.844 8.001 -7.721 1.00 0.00 C ATOM 591 CG LEU A 37 1.587 9.149 -8.701 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.228 9.783 -8.400 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.687 10.204 -8.548 1.00 0.00 C ATOM 0 H LEU A 37 0.782 6.262 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 37 0.672 6.861 -9.151 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.303 8.175 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.904 7.954 -7.470 1.00 0.00 H new ATOM 0 HG LEU A 37 1.590 8.764 -9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.045 10.600 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.555 9.033 -8.507 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.224 10.169 -7.381 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.506 11.022 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.683 10.588 -7.528 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.656 9.753 -8.762 1.00 0.00 H new ATOM 605 N LEU A 38 3.383 5.251 -8.127 1.00 0.00 N ATOM 606 CA LEU A 38 4.545 4.479 -8.686 1.00 0.00 C ATOM 607 C LEU A 38 3.991 3.273 -9.465 1.00 0.00 C ATOM 608 O LEU A 38 4.462 2.944 -10.537 1.00 0.00 O ATOM 609 CB LEU A 38 5.385 3.989 -7.494 1.00 0.00 C ATOM 610 CG LEU A 38 5.898 5.185 -6.690 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.113 4.763 -5.234 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.226 5.663 -7.283 1.00 0.00 C ATOM 0 H LEU A 38 3.269 5.202 -7.115 1.00 0.00 H new ATOM 0 HA LEU A 38 5.155 5.090 -9.351 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.783 3.342 -6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.225 3.393 -7.851 1.00 0.00 H new ATOM 0 HG LEU A 38 5.168 5.994 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.479 5.614 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.169 4.418 -4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.845 3.956 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.594 6.515 -6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.956 4.855 -7.239 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.075 5.960 -8.321 1.00 0.00 H new ATOM 624 N ILE A 39 2.979 2.619 -8.929 1.00 0.00 N ATOM 625 CA ILE A 39 2.374 1.434 -9.639 1.00 0.00 C ATOM 626 C ILE A 39 1.672 1.902 -10.927 1.00 0.00 C ATOM 627 O ILE A 39 1.759 1.251 -11.951 1.00 0.00 O ATOM 628 CB ILE A 39 1.353 0.826 -8.646 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.098 0.262 -7.419 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.520 -0.278 -9.317 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.910 -0.983 -7.798 1.00 0.00 C ATOM 0 H ILE A 39 2.547 2.852 -8.035 1.00 0.00 H new ATOM 0 HA ILE A 39 3.126 0.700 -9.929 1.00 0.00 H new ATOM 0 HB ILE A 39 0.670 1.612 -8.325 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.762 1.024 -7.010 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.381 0.010 -6.637 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.189 -0.687 -8.597 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.024 0.140 -10.164 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.181 -1.071 -9.667 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.427 -1.363 -6.916 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.240 -1.751 -8.185 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.642 -0.721 -8.563 1.00 0.00 H new ATOM 643 N VAL A 40 0.978 3.020 -10.886 1.00 0.00 N ATOM 644 CA VAL A 40 0.279 3.506 -12.128 1.00 0.00 C ATOM 645 C VAL A 40 1.286 4.092 -13.151 1.00 0.00 C ATOM 646 O VAL A 40 0.947 4.270 -14.306 1.00 0.00 O ATOM 647 CB VAL A 40 -0.765 4.561 -11.664 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.129 5.943 -11.468 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.875 4.663 -12.713 1.00 0.00 C ATOM 0 H VAL A 40 0.865 3.609 -10.061 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.216 2.685 -12.647 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.169 4.237 -10.705 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.891 6.652 -11.144 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.653 5.880 -10.711 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.304 6.281 -12.409 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.611 5.401 -12.394 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.446 4.967 -13.668 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.360 3.693 -12.825 1.00 0.00 H new ATOM 659 N ASN A 41 2.513 4.392 -12.753 1.00 0.00 N ATOM 660 CA ASN A 41 3.494 4.956 -13.730 1.00 0.00 C ATOM 661 C ASN A 41 4.820 4.166 -13.718 1.00 0.00 C ATOM 662 O ASN A 41 5.833 4.671 -14.164 1.00 0.00 O ATOM 663 CB ASN A 41 3.742 6.393 -13.262 1.00 0.00 C ATOM 664 CG ASN A 41 2.420 7.174 -13.240 1.00 0.00 C ATOM 665 OD1 ASN A 41 2.024 7.754 -12.132 1.00 0.00 O flip ATOM 666 ND2 ASN A 41 1.738 7.258 -14.241 1.00 0.00 N flip ATOM 0 H ASN A 41 2.865 4.269 -11.804 1.00 0.00 H new ATOM 0 HA ASN A 41 3.110 4.904 -14.749 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.188 6.388 -12.267 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.453 6.883 -13.927 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.042 6.809 -15.105 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.861 7.778 -14.218 1.00 0.00 H new ATOM 673 N GLY A 42 4.839 2.939 -13.221 1.00 0.00 N ATOM 674 CA GLY A 42 6.125 2.168 -13.209 1.00 0.00 C ATOM 675 C GLY A 42 6.003 0.961 -12.269 1.00 0.00 C ATOM 676 O GLY A 42 6.542 0.967 -11.179 1.00 0.00 O ATOM 0 H GLY A 42 4.032 2.452 -12.832 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.367 1.832 -14.217 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.942 2.812 -12.884 1.00 0.00 H new ATOM 680 N GLY A 43 5.289 -0.069 -12.676 1.00 0.00 N ATOM 681 CA GLY A 43 5.129 -1.266 -11.799 1.00 0.00 C ATOM 682 C GLY A 43 6.468 -2.010 -11.661 1.00 0.00 C ATOM 683 O GLY A 43 6.631 -3.101 -12.174 1.00 0.00 O ATOM 0 H GLY A 43 4.814 -0.126 -13.577 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.773 -0.960 -10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.376 -1.934 -12.217 1.00 0.00 H new ATOM 687 N THR A 44 7.420 -1.440 -10.954 1.00 0.00 N ATOM 688 CA THR A 44 8.732 -2.116 -10.757 1.00 0.00 C ATOM 689 C THR A 44 9.027 -2.168 -9.249 1.00 0.00 C ATOM 690 O THR A 44 9.371 -1.168 -8.650 1.00 0.00 O ATOM 691 CB THR A 44 9.745 -1.238 -11.492 1.00 0.00 C ATOM 692 OG1 THR A 44 9.379 0.128 -11.342 1.00 0.00 O ATOM 693 CG2 THR A 44 9.754 -1.609 -12.978 1.00 0.00 C ATOM 0 H THR A 44 7.336 -0.528 -10.504 1.00 0.00 H new ATOM 0 HA THR A 44 8.759 -3.138 -11.135 1.00 0.00 H new ATOM 0 HB THR A 44 10.740 -1.395 -11.074 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.027 0.694 -11.811 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.476 -0.984 -13.505 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.032 -2.657 -13.090 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.761 -1.450 -13.399 1.00 0.00 H new ATOM 701 N VAL A 45 8.857 -3.318 -8.619 1.00 0.00 N ATOM 702 CA VAL A 45 9.093 -3.406 -7.125 1.00 0.00 C ATOM 703 C VAL A 45 10.448 -2.787 -6.729 1.00 0.00 C ATOM 704 O VAL A 45 10.567 -2.205 -5.668 1.00 0.00 O ATOM 705 CB VAL A 45 9.045 -4.903 -6.752 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.341 -5.079 -5.257 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.646 -5.456 -7.046 1.00 0.00 C ATOM 0 H VAL A 45 8.569 -4.189 -9.065 1.00 0.00 H new ATOM 0 HA VAL A 45 8.330 -2.843 -6.587 1.00 0.00 H new ATOM 0 HB VAL A 45 9.791 -5.439 -7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.305 -6.138 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.332 -4.685 -5.034 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.596 -4.539 -4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.610 -6.513 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.908 -4.911 -6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.424 -5.338 -8.107 1.00 0.00 H new ATOM 717 N GLU A 46 11.463 -2.898 -7.555 1.00 0.00 N ATOM 718 CA GLU A 46 12.786 -2.292 -7.169 1.00 0.00 C ATOM 719 C GLU A 46 12.699 -0.764 -7.247 1.00 0.00 C ATOM 720 O GLU A 46 12.968 -0.082 -6.276 1.00 0.00 O ATOM 721 CB GLU A 46 13.833 -2.827 -8.157 1.00 0.00 C ATOM 722 CG GLU A 46 15.228 -2.707 -7.540 1.00 0.00 C ATOM 723 CD GLU A 46 15.454 -3.861 -6.562 1.00 0.00 C ATOM 724 OE1 GLU A 46 15.694 -4.965 -7.024 1.00 0.00 O ATOM 725 OE2 GLU A 46 15.383 -3.622 -5.367 1.00 0.00 O ATOM 0 H GLU A 46 11.439 -3.369 -8.459 1.00 0.00 H new ATOM 0 HA GLU A 46 13.059 -2.557 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.620 -3.868 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.787 -2.266 -9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.986 -2.726 -8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.328 -1.753 -7.023 1.00 0.00 H new ATOM 732 N SER A 47 12.308 -0.216 -8.378 1.00 0.00 N ATOM 733 CA SER A 47 12.194 1.282 -8.464 1.00 0.00 C ATOM 734 C SER A 47 11.076 1.763 -7.526 1.00 0.00 C ATOM 735 O SER A 47 11.191 2.805 -6.910 1.00 0.00 O ATOM 736 CB SER A 47 11.857 1.636 -9.921 1.00 0.00 C ATOM 737 OG SER A 47 12.599 2.786 -10.306 1.00 0.00 O ATOM 0 H SER A 47 12.068 -0.726 -9.228 1.00 0.00 H new ATOM 0 HA SER A 47 13.124 1.765 -8.164 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.096 0.798 -10.576 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.789 1.826 -10.024 1.00 0.00 H new ATOM 0 HG SER A 47 12.389 3.015 -11.235 1.00 0.00 H new ATOM 743 N VAL A 48 9.997 1.013 -7.404 1.00 0.00 N ATOM 744 CA VAL A 48 8.885 1.453 -6.489 1.00 0.00 C ATOM 745 C VAL A 48 9.361 1.411 -5.032 1.00 0.00 C ATOM 746 O VAL A 48 9.098 2.327 -4.278 1.00 0.00 O ATOM 747 CB VAL A 48 7.705 0.482 -6.711 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.552 0.833 -5.764 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.211 0.603 -8.155 1.00 0.00 C ATOM 0 H VAL A 48 9.840 0.130 -7.890 1.00 0.00 H new ATOM 0 HA VAL A 48 8.578 2.477 -6.704 1.00 0.00 H new ATOM 0 HB VAL A 48 8.043 -0.535 -6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.724 0.143 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.892 0.753 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.219 1.852 -5.959 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.378 -0.082 -8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.881 1.625 -8.342 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.022 0.352 -8.839 1.00 0.00 H new ATOM 759 N VAL A 49 10.068 0.377 -4.628 1.00 0.00 N ATOM 760 CA VAL A 49 10.549 0.338 -3.200 1.00 0.00 C ATOM 761 C VAL A 49 11.628 1.414 -2.999 1.00 0.00 C ATOM 762 O VAL A 49 11.675 2.057 -1.968 1.00 0.00 O ATOM 763 CB VAL A 49 11.102 -1.080 -2.952 1.00 0.00 C ATOM 764 CG1 VAL A 49 11.763 -1.161 -1.570 1.00 0.00 C ATOM 765 CG2 VAL A 49 9.947 -2.079 -3.007 1.00 0.00 C ATOM 0 H VAL A 49 10.329 -0.423 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 49 9.748 0.547 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 49 11.844 -1.311 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.148 -2.168 -1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.584 -0.446 -1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.027 -0.927 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.328 -3.085 -2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.214 -1.830 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.474 -2.035 -3.988 1.00 0.00 H new ATOM 775 N ASP A 50 12.485 1.627 -3.977 1.00 0.00 N ATOM 776 CA ASP A 50 13.542 2.688 -3.819 1.00 0.00 C ATOM 777 C ASP A 50 12.888 4.060 -3.569 1.00 0.00 C ATOM 778 O ASP A 50 13.431 4.880 -2.852 1.00 0.00 O ATOM 779 CB ASP A 50 14.346 2.717 -5.129 1.00 0.00 C ATOM 780 CG ASP A 50 15.751 3.259 -4.855 1.00 0.00 C ATOM 781 OD1 ASP A 50 15.875 4.129 -4.009 1.00 0.00 O ATOM 782 OD2 ASP A 50 16.679 2.795 -5.497 1.00 0.00 O ATOM 0 H ASP A 50 12.500 1.122 -4.863 1.00 0.00 H new ATOM 0 HA ASP A 50 14.188 2.469 -2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.408 1.714 -5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.840 3.343 -5.864 1.00 0.00 H new ATOM 787 N GLU A 51 11.730 4.322 -4.150 1.00 0.00 N ATOM 788 CA GLU A 51 11.074 5.661 -3.918 1.00 0.00 C ATOM 789 C GLU A 51 10.612 5.787 -2.462 1.00 0.00 C ATOM 790 O GLU A 51 10.746 6.840 -1.863 1.00 0.00 O ATOM 791 CB GLU A 51 9.871 5.753 -4.874 1.00 0.00 C ATOM 792 CG GLU A 51 10.287 6.498 -6.144 1.00 0.00 C ATOM 793 CD GLU A 51 10.823 5.501 -7.172 1.00 0.00 C ATOM 794 OE1 GLU A 51 11.997 5.179 -7.098 1.00 0.00 O ATOM 795 OE2 GLU A 51 10.051 5.078 -8.017 1.00 0.00 O ATOM 0 H GLU A 51 11.221 3.683 -4.761 1.00 0.00 H new ATOM 0 HA GLU A 51 11.778 6.471 -4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.515 4.754 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.045 6.273 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.435 7.038 -6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.051 7.239 -5.909 1.00 0.00 H new ATOM 802 N LEU A 52 10.096 4.730 -1.870 1.00 0.00 N ATOM 803 CA LEU A 52 9.667 4.832 -0.434 1.00 0.00 C ATOM 804 C LEU A 52 10.918 4.794 0.446 1.00 0.00 C ATOM 805 O LEU A 52 11.035 5.548 1.387 1.00 0.00 O ATOM 806 CB LEU A 52 8.760 3.623 -0.112 1.00 0.00 C ATOM 807 CG LEU A 52 7.336 3.811 -0.673 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.742 5.153 -0.226 1.00 0.00 C ATOM 809 CD2 LEU A 52 7.373 3.747 -2.198 1.00 0.00 C ATOM 0 H LEU A 52 9.956 3.820 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 52 9.121 5.758 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.199 2.717 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.710 3.483 0.968 1.00 0.00 H new ATOM 0 HG LEU A 52 6.705 3.011 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.737 5.261 -0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.696 5.186 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.370 5.967 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.366 3.880 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.019 4.537 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.760 2.778 -2.512 1.00 0.00 H new ATOM 821 N ALA A 53 11.865 3.932 0.134 1.00 0.00 N ATOM 822 CA ALA A 53 13.121 3.882 0.962 1.00 0.00 C ATOM 823 C ALA A 53 13.850 5.233 0.884 1.00 0.00 C ATOM 824 O ALA A 53 14.431 5.680 1.856 1.00 0.00 O ATOM 825 CB ALA A 53 14.002 2.767 0.373 1.00 0.00 C ATOM 0 H ALA A 53 11.825 3.273 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 53 12.895 3.683 2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.927 2.694 0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.469 1.817 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.235 2.998 -0.667 1.00 0.00 H new ATOM 831 N SER A 54 13.824 5.897 -0.260 1.00 0.00 N ATOM 832 CA SER A 54 14.524 7.230 -0.363 1.00 0.00 C ATOM 833 C SER A 54 13.965 8.208 0.684 1.00 0.00 C ATOM 834 O SER A 54 14.698 9.001 1.246 1.00 0.00 O ATOM 835 CB SER A 54 14.257 7.765 -1.778 1.00 0.00 C ATOM 836 OG SER A 54 13.006 8.438 -1.797 1.00 0.00 O ATOM 0 H SER A 54 13.358 5.581 -1.110 1.00 0.00 H new ATOM 0 HA SER A 54 15.593 7.122 -0.179 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.054 8.446 -2.078 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.252 6.944 -2.495 1.00 0.00 H new ATOM 0 HG SER A 54 12.281 7.779 -1.821 1.00 0.00 H new ATOM 842 N LEU A 55 12.676 8.159 0.958 1.00 0.00 N ATOM 843 CA LEU A 55 12.093 9.094 1.980 1.00 0.00 C ATOM 844 C LEU A 55 11.935 8.375 3.329 1.00 0.00 C ATOM 845 O LEU A 55 12.244 8.926 4.369 1.00 0.00 O ATOM 846 CB LEU A 55 10.725 9.517 1.432 1.00 0.00 C ATOM 847 CG LEU A 55 10.912 10.254 0.105 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.717 9.975 -0.808 1.00 0.00 C ATOM 849 CD2 LEU A 55 11.011 11.758 0.367 1.00 0.00 C ATOM 0 H LEU A 55 12.011 7.520 0.523 1.00 0.00 H new ATOM 0 HA LEU A 55 12.737 9.957 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.093 8.641 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.217 10.162 2.150 1.00 0.00 H new ATOM 0 HG LEU A 55 11.826 9.907 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.851 10.501 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.645 8.904 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.803 10.322 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.144 12.284 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.097 12.104 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.863 11.959 1.017 1.00 0.00 H new ATOM 861 N PHE A 56 11.466 7.147 3.321 1.00 0.00 N ATOM 862 CA PHE A 56 11.298 6.392 4.601 1.00 0.00 C ATOM 863 C PHE A 56 12.366 5.291 4.682 1.00 0.00 C ATOM 864 O PHE A 56 12.079 4.127 4.466 1.00 0.00 O ATOM 865 CB PHE A 56 9.891 5.770 4.546 1.00 0.00 C ATOM 866 CG PHE A 56 8.859 6.841 4.273 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.697 7.903 5.170 1.00 0.00 C ATOM 868 CD2 PHE A 56 8.069 6.772 3.118 1.00 0.00 C ATOM 869 CE1 PHE A 56 7.746 8.897 4.914 1.00 0.00 C ATOM 870 CE2 PHE A 56 7.117 7.766 2.863 1.00 0.00 C ATOM 871 CZ PHE A 56 6.955 8.829 3.760 1.00 0.00 C ATOM 0 H PHE A 56 11.193 6.637 2.481 1.00 0.00 H new ATOM 0 HA PHE A 56 11.409 7.034 5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.852 5.009 3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.668 5.272 5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 56 9.306 7.955 6.060 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.194 5.953 2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.622 9.717 5.606 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.507 7.713 1.973 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.221 9.596 3.562 1.00 0.00 H new ATOM 881 N ASP A 57 13.597 5.644 4.993 1.00 0.00 N ATOM 882 CA ASP A 57 14.672 4.600 5.086 1.00 0.00 C ATOM 883 C ASP A 57 14.958 4.229 6.554 1.00 0.00 C ATOM 884 O ASP A 57 16.056 3.819 6.882 1.00 0.00 O ATOM 885 CB ASP A 57 15.915 5.225 4.441 1.00 0.00 C ATOM 886 CG ASP A 57 16.695 4.147 3.686 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.065 3.351 3.010 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.910 4.137 3.797 1.00 0.00 O ATOM 0 H ASP A 57 13.900 6.599 5.184 1.00 0.00 H new ATOM 0 HA ASP A 57 14.373 3.680 4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.621 6.022 3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.546 5.677 5.206 1.00 0.00 H new ATOM 893 N SER A 58 13.986 4.354 7.441 1.00 0.00 N ATOM 894 CA SER A 58 14.234 3.986 8.876 1.00 0.00 C ATOM 895 C SER A 58 13.716 2.564 9.155 1.00 0.00 C ATOM 896 O SER A 58 14.350 1.800 9.858 1.00 0.00 O ATOM 897 CB SER A 58 13.466 5.013 9.715 1.00 0.00 C ATOM 898 OG SER A 58 14.156 6.256 9.682 1.00 0.00 O ATOM 0 H SER A 58 13.046 4.691 7.233 1.00 0.00 H new ATOM 0 HA SER A 58 15.297 3.995 9.116 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.455 5.135 9.326 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.372 4.663 10.743 1.00 0.00 H new ATOM 0 HG SER A 58 13.667 6.916 10.216 1.00 0.00 H new ATOM 904 N VAL A 59 12.574 2.200 8.607 1.00 0.00 N ATOM 905 CA VAL A 59 12.037 0.812 8.851 1.00 0.00 C ATOM 906 C VAL A 59 12.785 -0.207 7.976 1.00 0.00 C ATOM 907 O VAL A 59 13.348 0.139 6.956 1.00 0.00 O ATOM 908 CB VAL A 59 10.534 0.840 8.497 1.00 0.00 C ATOM 909 CG1 VAL A 59 10.334 1.167 7.007 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.922 -0.528 8.809 1.00 0.00 C ATOM 0 H VAL A 59 11.997 2.793 8.010 1.00 0.00 H new ATOM 0 HA VAL A 59 12.178 0.514 9.890 1.00 0.00 H new ATOM 0 HB VAL A 59 10.044 1.613 9.089 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.269 1.182 6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.766 2.143 6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.825 0.408 6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.860 -0.517 8.562 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.424 -1.294 8.218 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.045 -0.748 9.869 1.00 0.00 H new ATOM 920 N SER A 60 12.802 -1.464 8.373 1.00 0.00 N ATOM 921 CA SER A 60 13.532 -2.504 7.555 1.00 0.00 C ATOM 922 C SER A 60 13.035 -2.500 6.096 1.00 0.00 C ATOM 923 O SER A 60 11.851 -2.387 5.843 1.00 0.00 O ATOM 924 CB SER A 60 13.234 -3.864 8.204 1.00 0.00 C ATOM 925 OG SER A 60 13.817 -3.904 9.499 1.00 0.00 O ATOM 0 H SER A 60 12.349 -1.814 9.217 1.00 0.00 H new ATOM 0 HA SER A 60 14.602 -2.296 7.537 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.157 -4.019 8.272 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.634 -4.669 7.588 1.00 0.00 H new ATOM 0 HG SER A 60 13.627 -4.770 9.917 1.00 0.00 H new ATOM 931 N ARG A 61 13.932 -2.628 5.135 1.00 0.00 N ATOM 932 CA ARG A 61 13.502 -2.635 3.687 1.00 0.00 C ATOM 933 C ARG A 61 12.395 -3.678 3.448 1.00 0.00 C ATOM 934 O ARG A 61 11.517 -3.473 2.632 1.00 0.00 O ATOM 935 CB ARG A 61 14.746 -3.000 2.859 1.00 0.00 C ATOM 936 CG ARG A 61 15.541 -1.731 2.545 1.00 0.00 C ATOM 937 CD ARG A 61 16.619 -1.527 3.613 1.00 0.00 C ATOM 938 NE ARG A 61 17.529 -0.494 3.045 1.00 0.00 N ATOM 939 CZ ARG A 61 18.723 -0.829 2.636 1.00 0.00 C ATOM 940 NH1 ARG A 61 19.706 -0.911 3.490 1.00 0.00 N ATOM 941 NH2 ARG A 61 18.932 -1.083 1.374 1.00 0.00 N ATOM 0 H ARG A 61 14.936 -2.727 5.288 1.00 0.00 H new ATOM 0 HA ARG A 61 13.102 -1.662 3.403 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.369 -3.705 3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.448 -3.493 1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 61 16.001 -1.811 1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.874 -0.869 2.517 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.184 -1.195 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.153 -2.455 3.818 1.00 0.00 H new ATOM 0 HE ARG A 61 17.220 0.475 2.975 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.542 -0.713 4.477 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.639 -1.173 3.171 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.163 -1.020 0.707 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.865 -1.345 1.054 1.00 0.00 H new ATOM 955 N ASP A 62 12.428 -4.794 4.149 1.00 0.00 N ATOM 956 CA ASP A 62 11.360 -5.841 3.938 1.00 0.00 C ATOM 957 C ASP A 62 9.965 -5.240 4.178 1.00 0.00 C ATOM 958 O ASP A 62 9.022 -5.571 3.482 1.00 0.00 O ATOM 959 CB ASP A 62 11.632 -6.964 4.952 1.00 0.00 C ATOM 960 CG ASP A 62 10.804 -8.196 4.582 1.00 0.00 C ATOM 961 OD1 ASP A 62 10.788 -8.547 3.413 1.00 0.00 O ATOM 962 OD2 ASP A 62 10.198 -8.768 5.475 1.00 0.00 O ATOM 0 H ASP A 62 13.135 -5.025 4.847 1.00 0.00 H new ATOM 0 HA ASP A 62 11.385 -6.219 2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.693 -7.214 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.377 -6.630 5.958 1.00 0.00 H new ATOM 967 N THR A 63 9.822 -4.361 5.147 1.00 0.00 N ATOM 968 CA THR A 63 8.467 -3.752 5.403 1.00 0.00 C ATOM 969 C THR A 63 8.051 -2.897 4.198 1.00 0.00 C ATOM 970 O THR A 63 6.913 -2.946 3.767 1.00 0.00 O ATOM 971 CB THR A 63 8.599 -2.881 6.666 1.00 0.00 C ATOM 972 OG1 THR A 63 8.984 -3.700 7.762 1.00 0.00 O ATOM 973 CG2 THR A 63 7.258 -2.209 6.977 1.00 0.00 C ATOM 0 H THR A 63 10.569 -4.042 5.763 1.00 0.00 H new ATOM 0 HA THR A 63 7.706 -4.519 5.547 1.00 0.00 H new ATOM 0 HB THR A 63 9.353 -2.112 6.498 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.071 -3.149 8.568 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.358 -1.594 7.872 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.962 -1.581 6.136 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.499 -2.973 7.145 1.00 0.00 H new ATOM 981 N LEU A 64 8.959 -2.124 3.643 1.00 0.00 N ATOM 982 CA LEU A 64 8.586 -1.284 2.452 1.00 0.00 C ATOM 983 C LEU A 64 8.313 -2.202 1.257 1.00 0.00 C ATOM 984 O LEU A 64 7.343 -2.027 0.543 1.00 0.00 O ATOM 985 CB LEU A 64 9.781 -0.362 2.152 1.00 0.00 C ATOM 986 CG LEU A 64 10.124 0.481 3.395 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.553 0.171 3.854 1.00 0.00 C ATOM 988 CD2 LEU A 64 10.022 1.972 3.053 1.00 0.00 C ATOM 0 H LEU A 64 9.926 -2.038 3.955 1.00 0.00 H new ATOM 0 HA LEU A 64 7.691 -0.693 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.645 -0.958 1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.544 0.292 1.313 1.00 0.00 H new ATOM 0 HG LEU A 64 9.422 0.238 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.791 0.770 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.634 -0.887 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.252 0.410 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.265 2.565 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.721 2.210 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.007 2.202 2.730 1.00 0.00 H new ATOM 1000 N ALA A 65 9.153 -3.192 1.043 1.00 0.00 N ATOM 1001 CA ALA A 65 8.917 -4.131 -0.111 1.00 0.00 C ATOM 1002 C ALA A 65 7.582 -4.869 0.079 1.00 0.00 C ATOM 1003 O ALA A 65 6.874 -5.122 -0.878 1.00 0.00 O ATOM 1004 CB ALA A 65 10.083 -5.131 -0.121 1.00 0.00 C ATOM 0 H ALA A 65 9.980 -3.390 1.606 1.00 0.00 H new ATOM 0 HA ALA A 65 8.866 -3.588 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.953 -5.833 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.023 -4.593 -0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.102 -5.677 0.822 1.00 0.00 H new ATOM 1010 N ASN A 66 7.226 -5.217 1.300 1.00 0.00 N ATOM 1011 CA ASN A 66 5.920 -5.938 1.518 1.00 0.00 C ATOM 1012 C ASN A 66 4.748 -5.071 1.033 1.00 0.00 C ATOM 1013 O ASN A 66 3.793 -5.583 0.477 1.00 0.00 O ATOM 1014 CB ASN A 66 5.799 -6.197 3.028 1.00 0.00 C ATOM 1015 CG ASN A 66 6.577 -7.466 3.394 1.00 0.00 C ATOM 1016 OD1 ASN A 66 6.494 -8.460 2.700 1.00 0.00 O ATOM 1017 ND2 ASN A 66 7.339 -7.481 4.461 1.00 0.00 N ATOM 0 H ASN A 66 7.772 -5.037 2.142 1.00 0.00 H new ATOM 0 HA ASN A 66 5.894 -6.873 0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.188 -5.345 3.586 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.751 -6.308 3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.858 -8.324 4.705 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.412 -6.649 5.047 1.00 0.00 H new ATOM 1024 N VAL A 67 4.804 -3.765 1.227 1.00 0.00 N ATOM 1025 CA VAL A 67 3.665 -2.902 0.750 1.00 0.00 C ATOM 1026 C VAL A 67 3.648 -2.890 -0.788 1.00 0.00 C ATOM 1027 O VAL A 67 2.619 -3.121 -1.395 1.00 0.00 O ATOM 1028 CB VAL A 67 3.902 -1.491 1.315 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.798 -0.549 0.834 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.872 -1.549 2.845 1.00 0.00 C ATOM 0 H VAL A 67 5.570 -3.270 1.684 1.00 0.00 H new ATOM 0 HA VAL A 67 2.700 -3.280 1.089 1.00 0.00 H new ATOM 0 HB VAL A 67 4.870 -1.125 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.970 0.449 1.237 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.805 -0.507 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.831 -0.917 1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.040 -0.551 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.901 -1.917 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.654 -2.220 3.199 1.00 0.00 H new ATOM 1040 N VAL A 68 4.777 -2.648 -1.429 1.00 0.00 N ATOM 1041 CA VAL A 68 4.791 -2.660 -2.941 1.00 0.00 C ATOM 1042 C VAL A 68 4.302 -4.033 -3.442 1.00 0.00 C ATOM 1043 O VAL A 68 3.595 -4.116 -4.430 1.00 0.00 O ATOM 1044 CB VAL A 68 6.247 -2.405 -3.378 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.346 -2.445 -4.907 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.691 -1.026 -2.883 1.00 0.00 C ATOM 0 H VAL A 68 5.672 -2.447 -0.984 1.00 0.00 H new ATOM 0 HA VAL A 68 4.134 -1.897 -3.357 1.00 0.00 H new ATOM 0 HB VAL A 68 6.889 -3.177 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.377 -2.264 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.029 -3.424 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.702 -1.676 -5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.721 -0.843 -3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.043 -0.260 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.626 -0.991 -1.796 1.00 0.00 H new ATOM 1056 N GLN A 69 4.652 -5.112 -2.761 1.00 0.00 N ATOM 1057 CA GLN A 69 4.169 -6.466 -3.215 1.00 0.00 C ATOM 1058 C GLN A 69 2.630 -6.511 -3.199 1.00 0.00 C ATOM 1059 O GLN A 69 2.024 -7.153 -4.036 1.00 0.00 O ATOM 1060 CB GLN A 69 4.738 -7.499 -2.228 1.00 0.00 C ATOM 1061 CG GLN A 69 4.951 -8.832 -2.950 1.00 0.00 C ATOM 1062 CD GLN A 69 4.846 -9.983 -1.942 1.00 0.00 C ATOM 1063 OE1 GLN A 69 5.847 -10.556 -1.559 1.00 0.00 O ATOM 1064 NE2 GLN A 69 3.673 -10.354 -1.490 1.00 0.00 N ATOM 0 H GLN A 69 5.239 -5.113 -1.927 1.00 0.00 H new ATOM 0 HA GLN A 69 4.499 -6.676 -4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.682 -7.142 -1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.054 -7.632 -1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.206 -8.955 -3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.929 -8.845 -3.432 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.830 -9.877 -1.808 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.604 -11.120 -0.820 1.00 0.00 H new ATOM 1073 N THR A 70 1.989 -5.825 -2.268 1.00 0.00 N ATOM 1074 CA THR A 70 0.483 -5.839 -2.241 1.00 0.00 C ATOM 1075 C THR A 70 -0.037 -5.080 -3.454 1.00 0.00 C ATOM 1076 O THR A 70 -0.945 -5.526 -4.130 1.00 0.00 O ATOM 1077 CB THR A 70 0.026 -5.099 -0.972 1.00 0.00 C ATOM 1078 OG1 THR A 70 0.337 -3.719 -1.096 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.716 -5.663 0.264 1.00 0.00 C ATOM 0 H THR A 70 2.435 -5.267 -1.540 1.00 0.00 H new ATOM 0 HA THR A 70 0.109 -6.863 -2.252 1.00 0.00 H new ATOM 0 HB THR A 70 -1.050 -5.233 -0.860 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.303 -3.590 -0.988 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.377 -5.124 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.471 -6.720 0.367 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.795 -5.549 0.162 1.00 0.00 H new ATOM 1087 N ALA A 71 0.528 -3.923 -3.730 1.00 0.00 N ATOM 1088 CA ALA A 71 0.043 -3.134 -4.906 1.00 0.00 C ATOM 1089 C ALA A 71 0.211 -3.959 -6.195 1.00 0.00 C ATOM 1090 O ALA A 71 -0.640 -3.927 -7.066 1.00 0.00 O ATOM 1091 CB ALA A 71 0.884 -1.849 -4.980 1.00 0.00 C ATOM 0 H ALA A 71 1.290 -3.500 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.014 -2.889 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.556 -1.248 -5.828 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.757 -1.278 -4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.935 -2.109 -5.104 1.00 0.00 H new ATOM 1097 N PHE A 72 1.287 -4.716 -6.317 1.00 0.00 N ATOM 1098 CA PHE A 72 1.465 -5.556 -7.554 1.00 0.00 C ATOM 1099 C PHE A 72 0.363 -6.618 -7.570 1.00 0.00 C ATOM 1100 O PHE A 72 -0.333 -6.786 -8.555 1.00 0.00 O ATOM 1101 CB PHE A 72 2.845 -6.228 -7.449 1.00 0.00 C ATOM 1102 CG PHE A 72 3.914 -5.307 -7.990 1.00 0.00 C ATOM 1103 CD1 PHE A 72 4.027 -3.996 -7.510 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.800 -5.770 -8.970 1.00 0.00 C ATOM 1105 CE1 PHE A 72 5.023 -3.151 -8.009 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.795 -4.924 -9.469 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.905 -3.615 -8.988 1.00 0.00 C ATOM 0 H PHE A 72 2.035 -4.787 -5.627 1.00 0.00 H new ATOM 0 HA PHE A 72 1.404 -4.962 -8.466 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.059 -6.475 -6.409 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.845 -7.165 -8.006 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.344 -3.638 -6.754 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.715 -6.781 -9.341 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.110 -2.141 -7.638 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.478 -5.281 -10.225 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.673 -2.962 -9.374 1.00 0.00 H new ATOM 1117 N PHE A 73 0.180 -7.322 -6.469 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.910 -8.357 -6.417 1.00 0.00 C ATOM 1119 C PHE A 73 -2.270 -7.662 -6.617 1.00 0.00 C ATOM 1120 O PHE A 73 -3.143 -8.186 -7.283 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.822 -9.008 -5.020 1.00 0.00 C ATOM 1122 CG PHE A 73 -1.956 -9.987 -4.815 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -2.228 -10.965 -5.779 1.00 0.00 C ATOM 1124 CD2 PHE A 73 -2.734 -9.911 -3.655 1.00 0.00 C ATOM 1125 CE1 PHE A 73 -3.279 -11.869 -5.581 1.00 0.00 C ATOM 1126 CE2 PHE A 73 -3.785 -10.814 -3.456 1.00 0.00 C ATOM 1127 CZ PHE A 73 -4.058 -11.793 -4.419 1.00 0.00 C ATOM 0 H PHE A 73 0.731 -7.226 -5.616 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.804 -9.112 -7.196 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.133 -9.522 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.857 -8.237 -4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.628 -11.022 -6.675 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.524 -9.155 -2.913 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.489 -12.624 -6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.385 -10.756 -2.560 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.869 -12.490 -4.266 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.456 -6.480 -6.053 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.770 -5.766 -6.236 1.00 0.00 C ATOM 1139 C ALA A 74 -4.017 -5.498 -7.726 1.00 0.00 C ATOM 1140 O ALA A 74 -5.124 -5.651 -8.206 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.669 -4.435 -5.472 1.00 0.00 C ATOM 0 H ALA A 74 -1.767 -5.988 -5.484 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.597 -6.369 -5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.603 -3.883 -5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.483 -4.634 -4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.849 -3.843 -5.879 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.998 -5.103 -8.466 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.213 -4.833 -9.937 1.00 0.00 C ATOM 1149 C LEU A 75 -3.760 -6.092 -10.630 1.00 0.00 C ATOM 1150 O LEU A 75 -4.623 -6.003 -11.484 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.848 -4.444 -10.542 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.813 -2.936 -10.798 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.387 -2.510 -11.153 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -2.752 -2.595 -11.961 1.00 0.00 C ATOM 0 H LEU A 75 -2.047 -4.958 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.936 -4.030 -10.078 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.044 -4.727 -9.863 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.684 -4.985 -11.474 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.136 -2.408 -9.901 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.363 -1.436 -11.335 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.282 -2.753 -10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.062 -3.037 -12.050 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.728 -1.521 -12.145 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.428 -3.124 -12.857 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.768 -2.898 -11.709 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.275 -7.261 -10.269 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.797 -8.514 -10.923 1.00 0.00 C ATOM 1168 C GLU A 76 -5.258 -8.739 -10.512 1.00 0.00 C ATOM 1169 O GLU A 76 -6.085 -9.095 -11.331 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.917 -9.675 -10.434 1.00 0.00 C ATOM 1171 CG GLU A 76 -3.206 -10.922 -11.272 1.00 0.00 C ATOM 1172 CD GLU A 76 -2.032 -11.896 -11.160 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -1.911 -12.531 -10.125 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -1.275 -11.993 -12.112 1.00 0.00 O ATOM 0 H GLU A 76 -2.553 -7.403 -9.563 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.762 -8.439 -12.010 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.864 -9.406 -10.514 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.115 -9.877 -9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.123 -11.400 -10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.364 -10.644 -12.314 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.588 -8.521 -9.257 1.00 0.00 N ATOM 1182 CA ALA A 77 -7.017 -8.715 -8.821 1.00 0.00 C ATOM 1183 C ALA A 77 -7.904 -7.665 -9.503 1.00 0.00 C ATOM 1184 O ALA A 77 -8.996 -7.968 -9.948 1.00 0.00 O ATOM 1185 CB ALA A 77 -7.050 -8.535 -7.295 1.00 0.00 C ATOM 0 H ALA A 77 -4.943 -8.222 -8.525 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.387 -9.703 -9.096 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.070 -8.668 -6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.401 -9.275 -6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.702 -7.534 -7.039 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.443 -6.433 -9.600 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.282 -5.376 -10.275 1.00 0.00 C ATOM 1193 C LEU A 78 -8.558 -5.785 -11.732 1.00 0.00 C ATOM 1194 O LEU A 78 -9.648 -5.582 -12.236 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.478 -4.057 -10.239 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.022 -3.132 -9.139 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.484 -2.786 -9.430 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -7.920 -3.825 -7.776 1.00 0.00 C ATOM 0 H LEU A 78 -6.539 -6.116 -9.249 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.239 -5.256 -9.767 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.425 -4.270 -10.057 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.540 -3.559 -11.206 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.431 -2.217 -9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.865 -2.130 -8.647 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.553 -2.280 -10.393 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.076 -3.701 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.307 -3.163 -7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.503 -4.746 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.877 -4.060 -7.564 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.586 -6.361 -12.416 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.828 -6.778 -13.848 1.00 0.00 C ATOM 1212 C GLN A 79 -9.028 -7.739 -13.939 1.00 0.00 C ATOM 1213 O GLN A 79 -9.743 -7.742 -14.924 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.552 -7.488 -14.339 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.700 -6.507 -15.151 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.791 -5.713 -14.205 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -5.188 -4.686 -13.691 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.580 -6.141 -13.950 1.00 0.00 N ATOM 0 H GLN A 79 -6.653 -6.558 -12.055 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.054 -5.906 -14.462 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.982 -7.863 -13.489 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.816 -8.350 -14.952 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.098 -7.049 -15.880 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.343 -5.827 -15.710 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.243 -7.003 -14.379 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.974 -5.613 -13.322 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.262 -8.554 -12.927 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.429 -9.501 -12.990 1.00 0.00 C ATOM 1229 C GLN A 80 -11.695 -8.821 -12.451 1.00 0.00 C ATOM 1230 O GLN A 80 -12.687 -8.716 -13.147 1.00 0.00 O ATOM 1231 CB GLN A 80 -10.056 -10.708 -12.117 1.00 0.00 C ATOM 1232 CG GLN A 80 -10.787 -11.953 -12.627 1.00 0.00 C ATOM 1233 CD GLN A 80 -10.246 -12.331 -14.012 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -9.234 -12.994 -14.115 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -10.880 -11.938 -15.090 1.00 0.00 N ATOM 0 H GLN A 80 -8.704 -8.603 -12.074 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.636 -9.807 -14.016 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.978 -10.870 -12.143 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.324 -10.516 -11.078 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.647 -12.781 -11.932 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.859 -11.761 -12.683 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.730 -11.381 -15.007 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.523 -12.189 -16.012 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.671 -8.356 -11.222 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.878 -7.684 -10.653 1.00 0.00 C ATOM 1246 C GLY A 81 -13.023 -8.038 -9.166 1.00 0.00 C ATOM 1247 O GLY A 81 -13.819 -8.884 -8.803 1.00 0.00 O ATOM 0 H GLY A 81 -10.870 -8.414 -10.593 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.793 -6.604 -10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.769 -7.996 -11.198 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.266 -7.397 -8.297 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.375 -7.702 -6.839 1.00 0.00 C ATOM 1253 C GLU A 82 -12.878 -6.464 -6.080 1.00 0.00 C ATOM 1254 O GLU A 82 -13.101 -5.424 -6.673 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.955 -8.062 -6.400 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.742 -9.569 -6.545 1.00 0.00 C ATOM 1257 CD GLU A 82 -9.730 -10.047 -5.502 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -9.756 -9.526 -4.399 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -8.946 -10.924 -5.823 1.00 0.00 O ATOM 0 H GLU A 82 -11.582 -6.680 -8.540 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.078 -8.510 -6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.228 -7.521 -7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.795 -7.760 -5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.688 -10.094 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.383 -9.801 -7.548 1.00 0.00 H new ATOM 1266 N SER A 83 -13.060 -6.560 -4.778 1.00 0.00 N ATOM 1267 CA SER A 83 -13.548 -5.376 -4.006 1.00 0.00 C ATOM 1268 C SER A 83 -12.463 -4.882 -3.038 1.00 0.00 C ATOM 1269 O SER A 83 -11.862 -5.664 -2.326 1.00 0.00 O ATOM 1270 CB SER A 83 -14.765 -5.871 -3.227 1.00 0.00 C ATOM 1271 OG SER A 83 -15.854 -6.058 -4.123 1.00 0.00 O ATOM 0 H SER A 83 -12.892 -7.401 -4.226 1.00 0.00 H new ATOM 0 HA SER A 83 -13.796 -4.541 -4.662 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.531 -6.808 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.034 -5.150 -2.455 1.00 0.00 H new ATOM 0 HG SER A 83 -16.636 -6.377 -3.626 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.212 -3.591 -3.001 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.165 -3.059 -2.064 1.00 0.00 C ATOM 1279 C ALA A 84 -11.807 -2.547 -0.756 1.00 0.00 C ATOM 1280 O ALA A 84 -11.205 -2.631 0.297 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.473 -1.910 -2.816 1.00 0.00 C ATOM 0 H ALA A 84 -12.682 -2.889 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.455 -3.835 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.696 -1.478 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.025 -2.293 -3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.207 -1.143 -3.064 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.021 -2.020 -0.802 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.668 -1.510 0.467 1.00 0.00 C ATOM 1289 C GLU A 85 -13.682 -2.607 1.545 1.00 0.00 C ATOM 1290 O GLU A 85 -13.495 -2.329 2.716 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.107 -1.112 0.103 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.678 -0.206 1.197 1.00 0.00 C ATOM 1293 CD GLU A 85 -17.117 0.176 0.844 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -18.011 -0.578 1.192 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -17.300 1.214 0.232 1.00 0.00 O ATOM 0 H GLU A 85 -13.583 -1.922 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.113 -0.662 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.121 -0.595 -0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.726 -2.003 -0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.652 -0.719 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.067 0.691 1.297 1.00 0.00 H new ATOM 1302 N ASN A 86 -13.901 -3.849 1.166 1.00 0.00 N ATOM 1303 CA ASN A 86 -13.917 -4.953 2.198 1.00 0.00 C ATOM 1304 C ASN A 86 -12.584 -4.986 2.963 1.00 0.00 C ATOM 1305 O ASN A 86 -12.560 -5.223 4.156 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.119 -6.273 1.433 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.474 -6.255 0.710 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.059 -5.205 0.522 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.006 -7.376 0.290 1.00 0.00 N ATOM 0 H ASN A 86 -14.067 -4.147 0.205 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.713 -4.794 2.926 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.314 -6.413 0.712 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.077 -7.115 2.124 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.905 -7.365 -0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.521 -8.260 0.444 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.473 -4.744 2.293 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.152 -4.761 3.017 1.00 0.00 C ATOM 1318 C ILE A 87 -10.113 -3.632 4.065 1.00 0.00 C ATOM 1319 O ILE A 87 -9.560 -3.805 5.136 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.059 -4.549 1.949 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.115 -5.693 0.930 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.680 -4.532 2.615 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.802 -5.153 -0.467 1.00 0.00 C ATOM 0 H ILE A 87 -11.423 -4.539 1.295 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.999 -5.703 3.544 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.228 -3.598 1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.399 -6.469 1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.103 -6.154 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.912 -4.382 1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.637 -3.720 3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.509 -5.482 3.122 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.842 -5.968 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.535 -4.393 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.805 -4.713 -0.472 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.691 -2.480 3.777 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.666 -1.361 4.790 1.00 0.00 C ATOM 1337 C VAL A 88 -11.420 -1.777 6.063 1.00 0.00 C ATOM 1338 O VAL A 88 -11.028 -1.414 7.157 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.345 -0.144 4.138 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.334 1.038 5.112 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.582 0.245 2.872 1.00 0.00 C ATOM 0 H VAL A 88 -11.170 -2.268 2.902 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.642 -1.122 5.078 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.374 -0.400 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.816 1.898 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.874 0.767 6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.304 1.292 5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.062 1.107 2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.553 0.497 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.586 -0.592 2.173 1.00 0.00 H new ATOM 1351 N SER A 89 -12.495 -2.535 5.943 1.00 0.00 N ATOM 1352 CA SER A 89 -13.251 -2.958 7.183 1.00 0.00 C ATOM 1353 C SER A 89 -12.296 -3.672 8.150 1.00 0.00 C ATOM 1354 O SER A 89 -12.326 -3.436 9.343 1.00 0.00 O ATOM 1355 CB SER A 89 -14.359 -3.919 6.725 1.00 0.00 C ATOM 1356 OG SER A 89 -15.006 -4.466 7.866 1.00 0.00 O ATOM 0 H SER A 89 -12.877 -2.874 5.060 1.00 0.00 H new ATOM 0 HA SER A 89 -13.676 -2.098 7.701 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.080 -3.390 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.935 -4.717 6.115 1.00 0.00 H new ATOM 0 HG SER A 89 -15.715 -5.079 7.578 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.428 -4.525 7.642 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.453 -5.220 8.554 1.00 0.00 C ATOM 1364 C LYS A 90 -9.407 -4.212 9.052 1.00 0.00 C ATOM 1365 O LYS A 90 -8.973 -4.284 10.188 1.00 0.00 O ATOM 1366 CB LYS A 90 -9.781 -6.330 7.730 1.00 0.00 C ATOM 1367 CG LYS A 90 -10.638 -7.598 7.787 1.00 0.00 C ATOM 1368 CD LYS A 90 -10.311 -8.489 6.587 1.00 0.00 C ATOM 1369 CE LYS A 90 -10.451 -9.959 6.990 1.00 0.00 C ATOM 1370 NZ LYS A 90 -11.888 -10.124 7.346 1.00 0.00 N ATOM 0 H LYS A 90 -11.353 -4.766 6.654 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.954 -5.642 9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.659 -6.007 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.784 -6.534 8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.448 -8.136 8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.696 -7.335 7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.982 -8.262 5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.297 -8.291 6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.168 -10.622 6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.805 -10.201 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.151 -11.127 7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.044 -9.798 8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.474 -9.562 6.695 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.010 -3.259 8.228 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.005 -2.246 8.701 1.00 0.00 C ATOM 1386 C ILE A 91 -8.673 -1.297 9.707 1.00 0.00 C ATOM 1387 O ILE A 91 -8.070 -0.921 10.695 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.526 -1.472 7.455 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -6.884 -2.439 6.445 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.497 -0.417 7.868 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -5.728 -3.205 7.101 1.00 0.00 C ATOM 0 H ILE A 91 -9.333 -3.142 7.267 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.160 -2.721 9.199 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.385 -0.986 6.991 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.632 -3.141 6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.517 -1.883 5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.161 0.128 6.986 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.952 0.279 8.573 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.644 -0.905 8.340 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.284 -3.885 6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.973 -2.499 7.446 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.105 -3.776 7.949 1.00 0.00 H new ATOM 1403 N ARG A 92 -9.914 -0.917 9.477 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.600 0.002 10.454 1.00 0.00 C ATOM 1405 C ARG A 92 -10.691 -0.675 11.829 1.00 0.00 C ATOM 1406 O ARG A 92 -10.526 -0.028 12.848 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.008 0.278 9.902 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.458 1.677 10.328 1.00 0.00 C ATOM 1409 CD ARG A 92 -13.185 1.592 11.672 1.00 0.00 C ATOM 1410 NE ARG A 92 -14.623 1.433 11.321 1.00 0.00 N ATOM 1411 CZ ARG A 92 -15.194 0.265 11.421 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -15.532 -0.199 12.593 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -15.427 -0.442 10.349 1.00 0.00 N ATOM 0 H ARG A 92 -10.473 -1.197 8.671 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.045 0.932 10.574 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.006 0.201 8.815 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.709 -0.470 10.273 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.596 2.339 10.410 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.117 2.104 9.572 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.827 0.748 12.262 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.021 2.490 12.267 1.00 0.00 H new ATOM 0 HE ARG A 92 -15.162 2.238 11.002 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.350 0.352 13.432 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.979 -1.113 12.670 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.162 -0.081 9.432 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.874 -1.356 10.428 1.00 0.00 H new ATOM 1427 N MET A 93 -10.934 -1.971 11.874 1.00 0.00 N ATOM 1428 CA MET A 93 -11.010 -2.661 13.211 1.00 0.00 C ATOM 1429 C MET A 93 -9.601 -2.775 13.808 1.00 0.00 C ATOM 1430 O MET A 93 -9.411 -2.580 14.994 1.00 0.00 O ATOM 1431 CB MET A 93 -11.604 -4.056 12.962 1.00 0.00 C ATOM 1432 CG MET A 93 -12.517 -4.438 14.129 1.00 0.00 C ATOM 1433 SD MET A 93 -12.525 -6.237 14.327 1.00 0.00 S ATOM 1434 CE MET A 93 -13.046 -6.273 16.059 1.00 0.00 C ATOM 0 H MET A 93 -11.080 -2.570 11.061 1.00 0.00 H new ATOM 0 HA MET A 93 -11.629 -2.103 13.914 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.167 -4.062 12.029 1.00 0.00 H new ATOM 0 HB3 MET A 93 -10.805 -4.790 12.856 1.00 0.00 H new ATOM 0 HG2 MET A 93 -12.170 -3.962 15.046 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.529 -4.077 13.946 1.00 0.00 H new ATOM 0 HE1 MET A 93 -13.118 -7.307 16.396 1.00 0.00 H new ATOM 0 HE2 MET A 93 -12.316 -5.742 16.670 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.019 -5.791 16.156 1.00 0.00 H new ATOM 1444 N MET A 94 -8.607 -3.073 12.996 1.00 0.00 N ATOM 1445 CA MET A 94 -7.207 -3.174 13.541 1.00 0.00 C ATOM 1446 C MET A 94 -6.693 -1.777 13.921 1.00 0.00 C ATOM 1447 O MET A 94 -5.994 -1.622 14.906 1.00 0.00 O ATOM 1448 CB MET A 94 -6.336 -3.779 12.428 1.00 0.00 C ATOM 1449 CG MET A 94 -4.991 -4.214 13.012 1.00 0.00 C ATOM 1450 SD MET A 94 -4.005 -5.018 11.724 1.00 0.00 S ATOM 1451 CE MET A 94 -2.743 -5.723 12.813 1.00 0.00 C ATOM 0 H MET A 94 -8.701 -3.248 11.996 1.00 0.00 H new ATOM 0 HA MET A 94 -7.176 -3.796 14.436 1.00 0.00 H new ATOM 0 HB2 MET A 94 -6.843 -4.633 11.979 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.181 -3.047 11.635 1.00 0.00 H new ATOM 0 HG2 MET A 94 -4.457 -3.350 13.407 1.00 0.00 H new ATOM 0 HG3 MET A 94 -5.149 -4.899 13.845 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.015 -6.274 12.217 1.00 0.00 H new ATOM 0 HE2 MET A 94 -2.238 -4.921 13.352 1.00 0.00 H new ATOM 0 HE3 MET A 94 -3.214 -6.399 13.527 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.041 -0.752 13.164 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.562 0.631 13.529 1.00 0.00 C ATOM 1463 C ASN A 95 -7.278 1.106 14.804 1.00 0.00 C ATOM 1464 O ASN A 95 -6.683 1.763 15.638 1.00 0.00 O ATOM 1465 CB ASN A 95 -6.889 1.569 12.344 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.585 2.083 11.716 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.056 3.090 12.141 1.00 0.00 O ATOM 1468 ND2 ASN A 95 -5.038 1.434 10.717 1.00 0.00 N ATOM 0 H ASN A 95 -7.623 -0.810 12.328 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.489 0.632 13.722 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.478 1.036 11.598 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.494 2.408 12.688 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.172 1.775 10.300 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.478 0.588 10.356 1.00 0.00 H new