USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 693 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 26 ASN : amide:sc= -5.76! C(o=-6.4!,f=-22!) USER MOD Set 1.2: A 29 MET CE :methyl -144:sc= -0.631 (180deg=-0.66) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.618 (180deg=-1.96!) USER MOD Single : A 1 MET N :NH3+ -157:sc= 0.00695 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 8 SER OG : rot 32:sc= 0.162 USER MOD Single : A 10 ASN : amide:sc= -2.79 K(o=-2.8,f=-3.6!) USER MOD Single : A 13 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.099) USER MOD Single : A 14 HIS : no HD1:sc= -9.21! C(o=-9.2!,f=-14!) USER MOD Single : A 19 THR OG1 : rot 87:sc= 0.404! USER MOD Single : A 20 ASN : amide:sc= -0.167 K(o=-0.17,f=0.47) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -156:sc= -0.609 (180deg=-2.66!) USER MOD Single : A 35 ASN : amide:sc= -0.118 K(o=-0.12,f=-2!) USER MOD Single : A 36 GLN : amide:sc= -0.0475 X(o=-0.048,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -5.25! C(o=-5.3!,f=-6.5!) USER MOD Single : A 59 ASN : amide:sc= -2.07 K(o=-2.1,f=-17!) USER MOD Single : A 62 GLN : amide:sc= -4.66 K(o=-4.7,f=-11!) USER MOD Single : A 71 GLN : amide:sc= 0.00145 X(o=0.0014,f=-0.13) USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00357) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0191 K(o=-0.019,f=-1.8) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.431 K(o=-0.43,f=-2.8!) USER MOD Single : A 81 MET CE :methyl -178:sc= -5.21! (180deg=-5.3!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -39:sc= 1.58 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.269) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.200 -15.670 1.177 1.00 0.00 N ATOM 2 CA MET A 1 -24.271 -14.737 0.690 1.00 0.00 C ATOM 3 C MET A 1 -24.288 -13.459 1.540 1.00 0.00 C ATOM 4 O MET A 1 -23.321 -13.115 2.184 1.00 0.00 O ATOM 5 CB MET A 1 -25.619 -15.437 0.792 1.00 0.00 C ATOM 6 CG MET A 1 -26.405 -15.358 -0.527 1.00 0.00 C ATOM 7 SD MET A 1 -27.552 -16.757 -0.682 1.00 0.00 S ATOM 8 CE MET A 1 -28.034 -16.864 1.072 1.00 0.00 C ATOM 0 H1 MET A 1 -22.928 -16.317 0.410 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.370 -15.120 1.476 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.559 -16.220 1.983 1.00 0.00 H new ATOM 0 HA MET A 1 -24.070 -14.464 -0.346 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.466 -16.482 1.062 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.204 -14.983 1.592 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.960 -14.421 -0.569 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.712 -15.356 -1.368 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.985 -17.389 1.157 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.269 -17.407 1.627 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.136 -15.860 1.483 1.00 0.00 H new ATOM 20 N ALA A 2 -25.401 -12.768 1.523 1.00 0.00 N ATOM 21 CA ALA A 2 -25.565 -11.508 2.296 1.00 0.00 C ATOM 22 C ALA A 2 -24.614 -10.476 1.723 1.00 0.00 C ATOM 23 O ALA A 2 -23.729 -10.024 2.422 1.00 0.00 O ATOM 24 CB ALA A 2 -25.233 -11.758 3.779 1.00 0.00 C ATOM 0 H ALA A 2 -26.225 -13.038 0.987 1.00 0.00 H new ATOM 0 HA ALA A 2 -26.593 -11.153 2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -25.355 -10.832 4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -25.906 -12.516 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -24.203 -12.103 3.868 1.00 0.00 H new ATOM 30 N PRO A 3 -24.793 -10.106 0.471 1.00 0.00 N ATOM 31 CA PRO A 3 -23.924 -9.116 -0.166 1.00 0.00 C ATOM 32 C PRO A 3 -24.426 -7.695 0.146 1.00 0.00 C ATOM 33 O PRO A 3 -25.369 -7.212 -0.445 1.00 0.00 O ATOM 34 CB PRO A 3 -24.077 -9.382 -1.656 1.00 0.00 C ATOM 35 CG PRO A 3 -25.497 -10.000 -1.804 1.00 0.00 C ATOM 36 CD PRO A 3 -25.839 -10.606 -0.430 1.00 0.00 C ATOM 0 HA PRO A 3 -22.893 -9.189 0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -23.983 -8.463 -2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -23.308 -10.065 -2.017 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -26.226 -9.241 -2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -25.512 -10.763 -2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -26.830 -10.296 -0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -25.841 -11.695 -0.468 1.00 0.00 H new ATOM 44 N ALA A 4 -23.773 -7.067 1.076 1.00 0.00 N ATOM 45 CA ALA A 4 -24.173 -5.675 1.469 1.00 0.00 C ATOM 46 C ALA A 4 -23.180 -4.731 0.789 1.00 0.00 C ATOM 47 O ALA A 4 -22.269 -5.136 0.115 1.00 0.00 O ATOM 48 CB ALA A 4 -24.149 -5.533 2.982 1.00 0.00 C ATOM 0 H ALA A 4 -22.978 -7.450 1.587 1.00 0.00 H new ATOM 0 HA ALA A 4 -25.189 -5.438 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -24.441 -4.519 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -24.846 -6.244 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -23.143 -5.734 3.350 1.00 0.00 H new ATOM 54 N GLN A 5 -23.386 -3.467 0.987 1.00 0.00 N ATOM 55 CA GLN A 5 -22.487 -2.449 0.375 1.00 0.00 C ATOM 56 C GLN A 5 -21.393 -2.009 1.359 1.00 0.00 C ATOM 57 O GLN A 5 -21.764 -1.475 2.388 1.00 0.00 O ATOM 58 CB GLN A 5 -23.367 -1.247 0.014 1.00 0.00 C ATOM 59 CG GLN A 5 -24.488 -1.748 -0.902 1.00 0.00 C ATOM 60 CD GLN A 5 -23.885 -2.277 -2.194 1.00 0.00 C ATOM 61 OE1 GLN A 5 -23.939 -3.476 -2.417 1.00 0.00 O ATOM 62 NE2 GLN A 5 -23.325 -1.492 -3.055 1.00 0.00 N ATOM 0 H GLN A 5 -24.145 -3.086 1.552 1.00 0.00 H new ATOM 0 HA GLN A 5 -21.988 -2.864 -0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -23.783 -0.793 0.914 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -22.778 -0.479 -0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -25.056 -2.534 -0.404 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -25.186 -0.939 -1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -23.277 -0.489 -2.875 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -22.932 -1.875 -3.914 1.00 0.00 H new ATOM 71 N PRO A 6 -20.148 -2.245 1.005 1.00 0.00 N ATOM 72 CA PRO A 6 -19.014 -1.861 1.878 1.00 0.00 C ATOM 73 C PRO A 6 -19.202 -0.379 2.238 1.00 0.00 C ATOM 74 O PRO A 6 -19.742 0.342 1.430 1.00 0.00 O ATOM 75 CB PRO A 6 -17.772 -2.045 1.023 1.00 0.00 C ATOM 76 CG PRO A 6 -18.180 -3.143 0.014 1.00 0.00 C ATOM 77 CD PRO A 6 -19.688 -2.887 -0.237 1.00 0.00 C ATOM 0 HA PRO A 6 -18.944 -2.445 2.796 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.493 -1.120 0.517 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -16.915 -2.351 1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.605 -3.070 -0.909 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -18.007 -4.140 0.419 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -19.846 -2.243 -1.102 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -20.225 -3.816 -0.429 1.00 0.00 H new ATOM 85 N LEU A 7 -18.763 -0.009 3.398 1.00 0.00 N ATOM 86 CA LEU A 7 -18.861 1.385 3.908 1.00 0.00 C ATOM 87 C LEU A 7 -18.412 2.405 2.855 1.00 0.00 C ATOM 88 O LEU A 7 -19.201 3.238 2.465 1.00 0.00 O ATOM 89 CB LEU A 7 -17.958 1.527 5.153 1.00 0.00 C ATOM 90 CG LEU A 7 -18.778 1.398 6.441 1.00 0.00 C ATOM 91 CD1 LEU A 7 -19.712 2.600 6.618 1.00 0.00 C ATOM 92 CD2 LEU A 7 -19.587 0.095 6.439 1.00 0.00 C ATOM 0 H LEU A 7 -18.315 -0.651 4.052 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.904 1.584 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -17.182 0.762 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.454 2.493 5.133 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.083 1.376 7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -20.283 2.485 7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -19.122 3.515 6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.397 2.657 5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -20.162 0.022 7.362 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -20.266 0.090 5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.908 -0.755 6.367 1.00 0.00 H new ATOM 104 N SER A 8 -17.182 2.305 2.440 1.00 0.00 N ATOM 105 CA SER A 8 -16.588 3.218 1.419 1.00 0.00 C ATOM 106 C SER A 8 -16.899 4.671 1.759 1.00 0.00 C ATOM 107 O SER A 8 -17.654 5.347 1.069 1.00 0.00 O ATOM 108 CB SER A 8 -17.126 2.877 0.032 1.00 0.00 C ATOM 109 OG SER A 8 -18.537 2.623 0.064 1.00 0.00 O ATOM 0 H SER A 8 -16.534 1.596 2.782 1.00 0.00 H new ATOM 0 HA SER A 8 -15.506 3.084 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 8 -16.919 3.700 -0.652 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.606 2.001 -0.356 1.00 0.00 H new ATOM 0 HG SER A 8 -18.953 3.173 0.760 1.00 0.00 H new ATOM 115 N GLU A 9 -16.311 5.152 2.834 1.00 0.00 N ATOM 116 CA GLU A 9 -16.604 6.558 3.179 1.00 0.00 C ATOM 117 C GLU A 9 -16.155 7.499 2.039 1.00 0.00 C ATOM 118 O GLU A 9 -16.800 8.493 1.755 1.00 0.00 O ATOM 119 CB GLU A 9 -15.902 6.942 4.498 1.00 0.00 C ATOM 120 CG GLU A 9 -16.173 5.915 5.581 1.00 0.00 C ATOM 121 CD GLU A 9 -17.001 6.577 6.701 1.00 0.00 C ATOM 122 OE1 GLU A 9 -18.204 6.640 6.528 1.00 0.00 O ATOM 123 OE2 GLU A 9 -16.440 7.003 7.701 1.00 0.00 O ATOM 0 H GLU A 9 -15.673 4.651 3.452 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.681 6.665 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.828 7.024 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -16.249 7.922 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.712 5.063 5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.234 5.533 5.982 1.00 0.00 H new ATOM 130 N ASN A 10 -15.050 7.147 1.423 1.00 0.00 N ATOM 131 CA ASN A 10 -14.551 7.996 0.321 1.00 0.00 C ATOM 132 C ASN A 10 -13.971 7.187 -0.827 1.00 0.00 C ATOM 133 O ASN A 10 -14.373 7.444 -1.955 1.00 0.00 O ATOM 134 CB ASN A 10 -13.453 8.947 0.850 1.00 0.00 C ATOM 135 CG ASN A 10 -13.331 8.864 2.361 1.00 0.00 C ATOM 136 OD1 ASN A 10 -14.219 9.245 3.087 1.00 0.00 O ATOM 137 ND2 ASN A 10 -12.260 8.371 2.940 1.00 0.00 N ATOM 0 H ASN A 10 -14.489 6.323 1.638 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.408 8.554 -0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -12.497 8.693 0.392 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.684 9.971 0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -12.206 8.324 3.957 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.482 8.036 2.372 1.00 0.00 H new ATOM 144 N PRO A 11 -13.079 6.267 -0.593 1.00 0.00 N ATOM 145 CA PRO A 11 -12.519 5.505 -1.719 1.00 0.00 C ATOM 146 C PRO A 11 -12.715 4.006 -1.598 1.00 0.00 C ATOM 147 O PRO A 11 -12.713 3.385 -0.557 1.00 0.00 O ATOM 148 CB PRO A 11 -11.047 5.824 -1.362 1.00 0.00 C ATOM 149 CG PRO A 11 -11.065 5.667 0.163 1.00 0.00 C ATOM 150 CD PRO A 11 -12.514 5.861 0.697 1.00 0.00 C ATOM 0 HA PRO A 11 -12.922 5.746 -2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.350 5.134 -1.838 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.759 6.830 -1.668 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.695 4.680 0.440 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.398 6.398 0.621 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.957 4.950 1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.596 6.625 1.470 1.00 0.00 H new ATOM 158 N PRO A 12 -12.884 3.366 -2.739 1.00 0.00 N ATOM 159 CA PRO A 12 -13.057 1.891 -2.812 1.00 0.00 C ATOM 160 C PRO A 12 -11.628 1.319 -2.969 1.00 0.00 C ATOM 161 O PRO A 12 -11.395 0.546 -3.871 1.00 0.00 O ATOM 162 CB PRO A 12 -13.775 1.759 -4.141 1.00 0.00 C ATOM 163 CG PRO A 12 -12.990 2.758 -5.040 1.00 0.00 C ATOM 164 CD PRO A 12 -12.916 3.964 -4.080 1.00 0.00 C ATOM 0 HA PRO A 12 -13.566 1.410 -1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.730 0.741 -4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -14.829 2.024 -4.062 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.005 2.384 -5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -13.517 2.991 -5.965 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.027 4.566 -4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.777 4.621 -4.201 1.00 0.00 H new ATOM 172 N ASN A 13 -10.771 1.739 -2.102 1.00 0.00 N ATOM 173 CA ASN A 13 -9.327 1.356 -2.069 1.00 0.00 C ATOM 174 C ASN A 13 -8.623 1.861 -3.354 1.00 0.00 C ATOM 175 O ASN A 13 -9.320 2.173 -4.284 1.00 0.00 O ATOM 176 CB ASN A 13 -9.087 -0.112 -1.784 1.00 0.00 C ATOM 177 CG ASN A 13 -10.211 -0.602 -0.834 1.00 0.00 C ATOM 178 OD1 ASN A 13 -11.003 -1.465 -1.199 1.00 0.00 O ATOM 179 ND2 ASN A 13 -10.312 -0.083 0.371 1.00 0.00 N ATOM 0 H ASN A 13 -11.026 2.383 -1.353 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.871 1.855 -1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -9.093 -0.687 -2.710 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.109 -0.257 -1.325 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.049 -0.398 1.002 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.653 0.634 0.674 1.00 0.00 H new ATOM 186 N HIS A 14 -7.331 1.911 -3.300 1.00 0.00 N ATOM 187 CA HIS A 14 -6.440 2.405 -4.370 1.00 0.00 C ATOM 188 C HIS A 14 -5.259 3.196 -3.711 1.00 0.00 C ATOM 189 O HIS A 14 -4.262 3.523 -4.302 1.00 0.00 O ATOM 190 CB HIS A 14 -7.101 3.455 -5.283 1.00 0.00 C ATOM 191 CG HIS A 14 -7.910 4.463 -4.512 1.00 0.00 C ATOM 192 ND1 HIS A 14 -7.425 5.128 -3.412 1.00 0.00 N ATOM 193 CD2 HIS A 14 -9.194 4.917 -4.710 1.00 0.00 C ATOM 194 CE1 HIS A 14 -8.396 5.958 -2.969 1.00 0.00 C ATOM 195 NE2 HIS A 14 -9.485 5.850 -3.738 1.00 0.00 N ATOM 0 H HIS A 14 -6.815 1.599 -2.477 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.152 1.523 -4.942 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.330 3.973 -5.853 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -7.746 2.951 -6.003 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.862 4.596 -5.496 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.305 6.614 -2.116 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -10.362 6.360 -3.627 1.00 0.00 H new ATOM 204 N ILE A 15 -5.381 3.524 -2.434 1.00 0.00 N ATOM 205 CA ILE A 15 -4.399 4.301 -1.632 1.00 0.00 C ATOM 206 C ILE A 15 -4.087 3.372 -0.432 1.00 0.00 C ATOM 207 O ILE A 15 -4.987 3.096 0.301 1.00 0.00 O ATOM 208 CB ILE A 15 -4.919 5.659 -1.104 1.00 0.00 C ATOM 209 CG1 ILE A 15 -4.353 6.747 -2.039 1.00 0.00 C ATOM 210 CG2 ILE A 15 -4.448 5.866 0.325 1.00 0.00 C ATOM 211 CD1 ILE A 15 -5.036 8.071 -1.731 1.00 0.00 C ATOM 0 H ILE A 15 -6.198 3.252 -1.887 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.543 4.564 -2.253 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.008 5.698 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.276 6.838 -1.901 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.519 6.471 -3.081 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.816 6.823 0.694 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.831 5.063 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.358 5.861 0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.641 8.846 -2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.110 7.972 -1.891 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.847 8.345 -0.693 1.00 0.00 H new ATOM 223 N LEU A 16 -2.857 2.967 -0.348 1.00 0.00 N ATOM 224 CA LEU A 16 -2.403 2.031 0.747 1.00 0.00 C ATOM 225 C LEU A 16 -1.417 2.775 1.691 1.00 0.00 C ATOM 226 O LEU A 16 -0.295 3.109 1.377 1.00 0.00 O ATOM 227 CB LEU A 16 -1.709 0.880 0.048 1.00 0.00 C ATOM 228 CG LEU A 16 -2.742 0.110 -0.794 1.00 0.00 C ATOM 229 CD1 LEU A 16 -2.552 0.557 -2.250 1.00 0.00 C ATOM 230 CD2 LEU A 16 -2.479 -1.389 -0.735 1.00 0.00 C ATOM 0 H LEU A 16 -2.121 3.243 -0.998 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.235 1.675 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.908 1.254 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.250 0.216 0.781 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.745 0.310 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.266 0.035 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.717 1.632 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.538 0.322 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.221 -1.913 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.483 -1.599 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.545 -1.730 0.298 1.00 0.00 H new ATOM 242 N PHE A 17 -1.978 3.035 2.878 1.00 0.00 N ATOM 243 CA PHE A 17 -1.385 3.808 3.968 1.00 0.00 C ATOM 244 C PHE A 17 -1.201 2.826 5.148 1.00 0.00 C ATOM 245 O PHE A 17 -2.157 2.223 5.497 1.00 0.00 O ATOM 246 CB PHE A 17 -2.167 4.991 4.448 1.00 0.00 C ATOM 247 CG PHE A 17 -1.608 5.298 5.844 1.00 0.00 C ATOM 248 CD1 PHE A 17 -0.230 5.472 6.021 1.00 0.00 C ATOM 249 CD2 PHE A 17 -2.454 5.409 6.963 1.00 0.00 C ATOM 250 CE1 PHE A 17 0.289 5.755 7.302 1.00 0.00 C ATOM 251 CE2 PHE A 17 -1.933 5.690 8.234 1.00 0.00 C ATOM 252 CZ PHE A 17 -0.551 5.865 8.413 1.00 0.00 C ATOM 0 H PHE A 17 -2.909 2.691 3.113 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.460 4.235 3.581 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.045 5.842 3.778 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.233 4.768 4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.437 5.389 5.175 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.519 5.276 6.841 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.353 5.889 7.426 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.598 5.772 9.081 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.145 6.080 9.391 1.00 0.00 H new ATOM 262 N LEU A 18 0.011 2.714 5.552 1.00 0.00 N ATOM 263 CA LEU A 18 0.345 1.821 6.629 1.00 0.00 C ATOM 264 C LEU A 18 1.844 1.797 6.659 1.00 0.00 C ATOM 265 O LEU A 18 2.498 2.529 5.938 1.00 0.00 O ATOM 266 CB LEU A 18 -0.401 0.526 6.807 1.00 0.00 C ATOM 267 CG LEU A 18 -0.621 0.144 8.290 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.636 1.147 8.879 1.00 0.00 C ATOM 269 CD2 LEU A 18 -1.298 -1.215 8.334 1.00 0.00 C ATOM 0 H LEU A 18 0.800 3.227 5.159 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.069 2.210 7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.369 0.601 6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.150 -0.273 6.311 1.00 0.00 H new ATOM 0 HG LEU A 18 0.326 0.142 8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.817 0.909 9.927 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.236 2.158 8.801 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.573 1.084 8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.464 -1.506 9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.255 -1.162 7.815 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.662 -1.954 7.847 1.00 0.00 H new ATOM 281 N THR A 19 2.342 1.070 7.521 1.00 0.00 N ATOM 282 CA THR A 19 3.757 1.037 7.745 1.00 0.00 C ATOM 283 C THR A 19 4.124 -0.403 8.011 1.00 0.00 C ATOM 284 O THR A 19 3.351 -1.352 7.970 1.00 0.00 O ATOM 285 CB THR A 19 3.983 1.803 9.079 1.00 0.00 C ATOM 286 OG1 THR A 19 5.045 1.276 9.827 1.00 0.00 O ATOM 287 CG2 THR A 19 2.706 1.646 9.936 1.00 0.00 C ATOM 0 H THR A 19 1.803 0.451 8.127 1.00 0.00 H new ATOM 0 HA THR A 19 4.325 1.452 6.913 1.00 0.00 H new ATOM 0 HB THR A 19 4.212 2.840 8.833 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.885 1.694 9.542 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.835 2.174 10.881 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.854 2.064 9.400 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.528 0.589 10.133 1.00 0.00 H new ATOM 295 N ASN A 20 5.317 -0.544 8.220 1.00 0.00 N ATOM 296 CA ASN A 20 6.019 -1.847 8.522 1.00 0.00 C ATOM 297 C ASN A 20 6.972 -2.208 7.371 1.00 0.00 C ATOM 298 O ASN A 20 7.300 -3.341 7.142 1.00 0.00 O ATOM 299 CB ASN A 20 5.098 -2.966 8.931 1.00 0.00 C ATOM 300 CG ASN A 20 5.897 -3.918 9.855 1.00 0.00 C ATOM 301 OD1 ASN A 20 7.015 -4.291 9.624 1.00 0.00 O ATOM 302 ND2 ASN A 20 5.326 -4.344 10.953 1.00 0.00 N ATOM 0 H ASN A 20 5.960 0.248 8.205 1.00 0.00 H new ATOM 0 HA ASN A 20 6.622 -1.695 9.417 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.225 -2.572 9.451 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.733 -3.501 8.054 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.830 -4.972 11.579 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.377 -4.048 11.182 1.00 0.00 H new ATOM 309 N LEU A 21 7.419 -1.202 6.662 1.00 0.00 N ATOM 310 CA LEU A 21 8.372 -1.411 5.520 1.00 0.00 C ATOM 311 C LEU A 21 9.635 -0.631 5.867 1.00 0.00 C ATOM 312 O LEU A 21 9.795 0.470 5.357 1.00 0.00 O ATOM 313 CB LEU A 21 7.751 -0.928 4.212 1.00 0.00 C ATOM 314 CG LEU A 21 6.522 -0.059 4.460 1.00 0.00 C ATOM 315 CD1 LEU A 21 6.900 1.336 4.942 1.00 0.00 C ATOM 316 CD2 LEU A 21 5.785 0.044 3.112 1.00 0.00 C ATOM 0 H LEU A 21 7.162 -0.229 6.826 1.00 0.00 H new ATOM 0 HA LEU A 21 8.604 -2.466 5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.490 -0.361 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.472 -1.787 3.602 1.00 0.00 H new ATOM 0 HG LEU A 21 5.902 -0.504 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.996 1.922 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.458 1.260 5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.518 1.826 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.892 0.658 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.443 0.500 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.498 -0.953 2.777 1.00 0.00 H new ATOM 328 N PRO A 22 10.503 -1.135 6.686 1.00 0.00 N ATOM 329 CA PRO A 22 11.753 -0.520 7.126 1.00 0.00 C ATOM 330 C PRO A 22 13.002 -1.216 6.542 1.00 0.00 C ATOM 331 O PRO A 22 12.854 -1.863 5.535 1.00 0.00 O ATOM 332 CB PRO A 22 11.615 -0.762 8.640 1.00 0.00 C ATOM 333 CG PRO A 22 11.040 -2.181 8.796 1.00 0.00 C ATOM 334 CD PRO A 22 10.461 -2.428 7.377 1.00 0.00 C ATOM 0 HA PRO A 22 11.891 0.517 6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.581 -0.676 9.138 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.956 -0.022 9.094 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.807 -2.909 9.060 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.273 -2.232 9.568 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.048 -3.174 6.842 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.440 -2.806 7.434 1.00 0.00 H new ATOM 342 N GLU A 23 14.102 -1.038 7.194 1.00 0.00 N ATOM 343 CA GLU A 23 15.422 -1.601 6.827 1.00 0.00 C ATOM 344 C GLU A 23 16.228 -0.550 6.030 1.00 0.00 C ATOM 345 O GLU A 23 16.818 -0.869 5.009 1.00 0.00 O ATOM 346 CB GLU A 23 15.331 -2.911 6.063 1.00 0.00 C ATOM 347 CG GLU A 23 14.542 -3.984 6.825 1.00 0.00 C ATOM 348 CD GLU A 23 14.714 -5.332 6.132 1.00 0.00 C ATOM 349 OE1 GLU A 23 15.832 -5.836 6.200 1.00 0.00 O ATOM 350 OE2 GLU A 23 13.767 -5.823 5.562 1.00 0.00 O ATOM 0 H GLU A 23 14.140 -0.474 8.043 1.00 0.00 H new ATOM 0 HA GLU A 23 15.940 -1.839 7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.856 -2.733 5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 23 16.336 -3.280 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.893 -4.046 7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.486 -3.715 6.864 1.00 0.00 H new ATOM 357 N GLU A 24 16.226 0.656 6.512 1.00 0.00 N ATOM 358 CA GLU A 24 16.987 1.725 5.776 1.00 0.00 C ATOM 359 C GLU A 24 16.288 1.866 4.405 1.00 0.00 C ATOM 360 O GLU A 24 16.842 2.298 3.426 1.00 0.00 O ATOM 361 CB GLU A 24 18.450 1.367 5.612 1.00 0.00 C ATOM 362 CG GLU A 24 19.254 2.210 6.607 1.00 0.00 C ATOM 363 CD GLU A 24 20.681 2.453 6.114 1.00 0.00 C ATOM 364 OE1 GLU A 24 21.473 1.536 6.251 1.00 0.00 O ATOM 365 OE2 GLU A 24 21.000 3.508 5.616 1.00 0.00 O ATOM 0 H GLU A 24 15.747 0.955 7.361 1.00 0.00 H new ATOM 0 HA GLU A 24 16.979 2.663 6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.606 0.304 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.779 1.564 4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.754 3.166 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.283 1.705 7.573 1.00 0.00 H new ATOM 372 N THR A 25 15.033 1.470 4.416 1.00 0.00 N ATOM 373 CA THR A 25 14.180 1.519 3.191 1.00 0.00 C ATOM 374 C THR A 25 14.141 2.943 2.650 1.00 0.00 C ATOM 375 O THR A 25 14.442 3.850 3.417 1.00 0.00 O ATOM 376 CB THR A 25 12.747 1.107 3.556 1.00 0.00 C ATOM 377 OG1 THR A 25 12.172 0.398 2.478 1.00 0.00 O ATOM 378 CG2 THR A 25 11.973 2.402 3.875 1.00 0.00 C ATOM 0 H THR A 25 14.559 1.108 5.243 1.00 0.00 H new ATOM 0 HA THR A 25 14.594 0.844 2.442 1.00 0.00 H new ATOM 0 HB THR A 25 12.720 0.446 4.422 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.258 0.133 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.945 2.155 4.141 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.451 2.915 4.710 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.976 3.052 3.000 1.00 0.00 H new ATOM 386 N ASN A 26 13.793 3.140 1.408 1.00 0.00 N ATOM 387 CA ASN A 26 13.766 4.565 0.925 1.00 0.00 C ATOM 388 C ASN A 26 12.552 4.821 0.012 1.00 0.00 C ATOM 389 O ASN A 26 11.886 3.938 -0.503 1.00 0.00 O ATOM 390 CB ASN A 26 15.100 4.962 0.310 1.00 0.00 C ATOM 391 CG ASN A 26 15.165 4.784 -1.192 1.00 0.00 C ATOM 392 OD1 ASN A 26 14.440 5.460 -1.887 1.00 0.00 O ATOM 393 ND2 ASN A 26 15.966 3.955 -1.788 1.00 0.00 N ATOM 0 H ASN A 26 13.537 2.422 0.730 1.00 0.00 H new ATOM 0 HA ASN A 26 13.631 5.224 1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.303 6.006 0.551 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.891 4.369 0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.969 3.891 -2.806 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.593 3.367 -1.238 1.00 0.00 H new ATOM 400 N GLU A 27 12.215 6.081 -0.197 1.00 0.00 N ATOM 401 CA GLU A 27 11.061 6.502 -1.025 1.00 0.00 C ATOM 402 C GLU A 27 11.300 6.368 -2.519 1.00 0.00 C ATOM 403 O GLU A 27 10.362 6.108 -3.216 1.00 0.00 O ATOM 404 CB GLU A 27 10.685 7.982 -0.782 1.00 0.00 C ATOM 405 CG GLU A 27 9.428 8.337 -1.607 1.00 0.00 C ATOM 406 CD GLU A 27 9.725 9.368 -2.675 1.00 0.00 C ATOM 407 OE1 GLU A 27 10.486 10.306 -2.432 1.00 0.00 O ATOM 408 OE2 GLU A 27 9.178 9.215 -3.760 1.00 0.00 O ATOM 0 H GLU A 27 12.732 6.864 0.202 1.00 0.00 H new ATOM 0 HA GLU A 27 10.262 5.828 -0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.497 8.151 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.514 8.630 -1.066 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.034 7.434 -2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.653 8.717 -0.942 1.00 0.00 H new ATOM 415 N LEU A 28 12.471 6.510 -3.093 1.00 0.00 N ATOM 416 CA LEU A 28 12.583 6.337 -4.595 1.00 0.00 C ATOM 417 C LEU A 28 12.553 4.813 -4.874 1.00 0.00 C ATOM 418 O LEU A 28 12.259 4.330 -5.939 1.00 0.00 O ATOM 419 CB LEU A 28 13.796 7.022 -5.176 1.00 0.00 C ATOM 420 CG LEU A 28 15.108 6.636 -4.498 1.00 0.00 C ATOM 421 CD1 LEU A 28 16.184 6.598 -5.598 1.00 0.00 C ATOM 422 CD2 LEU A 28 15.538 7.730 -3.518 1.00 0.00 C ATOM 0 H LEU A 28 13.341 6.733 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 28 11.747 6.826 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.863 6.783 -6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.663 8.101 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 28 14.987 5.687 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.144 6.325 -5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.907 5.861 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.264 7.581 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.475 7.443 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.677 8.667 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.768 7.860 -2.757 1.00 0.00 H new ATOM 434 N MET A 29 12.858 4.073 -3.827 1.00 0.00 N ATOM 435 CA MET A 29 12.861 2.588 -3.860 1.00 0.00 C ATOM 436 C MET A 29 11.396 2.146 -3.869 1.00 0.00 C ATOM 437 O MET A 29 10.866 1.474 -4.744 1.00 0.00 O ATOM 438 CB MET A 29 13.449 2.083 -2.528 1.00 0.00 C ATOM 439 CG MET A 29 14.016 0.689 -2.646 1.00 0.00 C ATOM 440 SD MET A 29 14.260 0.030 -0.961 1.00 0.00 S ATOM 441 CE MET A 29 15.752 1.022 -0.657 1.00 0.00 C ATOM 0 H MET A 29 13.113 4.465 -2.920 1.00 0.00 H new ATOM 0 HA MET A 29 13.423 2.215 -4.716 1.00 0.00 H new ATOM 0 HB2 MET A 29 14.232 2.765 -2.197 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.673 2.094 -1.763 1.00 0.00 H new ATOM 0 HG2 MET A 29 13.338 0.049 -3.210 1.00 0.00 H new ATOM 0 HG3 MET A 29 14.962 0.708 -3.188 1.00 0.00 H new ATOM 0 HE1 MET A 29 16.458 0.444 -0.060 1.00 0.00 H new ATOM 0 HE2 MET A 29 16.213 1.287 -1.609 1.00 0.00 H new ATOM 0 HE3 MET A 29 15.481 1.931 -0.120 1.00 0.00 H new ATOM 451 N LEU A 30 10.685 2.547 -2.838 1.00 0.00 N ATOM 452 CA LEU A 30 9.244 2.218 -2.695 1.00 0.00 C ATOM 453 C LEU A 30 8.482 2.895 -3.851 1.00 0.00 C ATOM 454 O LEU A 30 7.456 2.475 -4.308 1.00 0.00 O ATOM 455 CB LEU A 30 8.674 2.689 -1.366 1.00 0.00 C ATOM 456 CG LEU A 30 8.586 1.469 -0.416 1.00 0.00 C ATOM 457 CD1 LEU A 30 10.021 1.044 -0.064 1.00 0.00 C ATOM 458 CD2 LEU A 30 7.766 1.738 0.831 1.00 0.00 C ATOM 0 H LEU A 30 11.064 3.105 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 30 9.131 1.134 -2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.309 3.462 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.688 3.130 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 30 8.060 0.663 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.992 0.185 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.555 0.776 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.535 1.870 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.745 0.843 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.214 2.558 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.749 2.006 0.547 1.00 0.00 H new ATOM 470 N SER A 31 9.094 3.978 -4.293 1.00 0.00 N ATOM 471 CA SER A 31 8.550 4.782 -5.408 1.00 0.00 C ATOM 472 C SER A 31 8.591 3.949 -6.707 1.00 0.00 C ATOM 473 O SER A 31 7.592 3.874 -7.366 1.00 0.00 O ATOM 474 CB SER A 31 9.389 6.032 -5.713 1.00 0.00 C ATOM 475 OG SER A 31 8.920 6.518 -6.979 1.00 0.00 O ATOM 0 H SER A 31 9.969 4.333 -3.907 1.00 0.00 H new ATOM 0 HA SER A 31 7.544 5.070 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.266 6.785 -4.935 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.451 5.789 -5.756 1.00 0.00 H new ATOM 0 HG SER A 31 9.422 7.322 -7.227 1.00 0.00 H new ATOM 481 N MET A 32 9.736 3.382 -7.001 1.00 0.00 N ATOM 482 CA MET A 32 9.853 2.557 -8.237 1.00 0.00 C ATOM 483 C MET A 32 9.115 1.213 -8.051 1.00 0.00 C ATOM 484 O MET A 32 8.600 0.605 -8.987 1.00 0.00 O ATOM 485 CB MET A 32 11.316 2.271 -8.584 1.00 0.00 C ATOM 486 CG MET A 32 11.993 1.390 -7.558 1.00 0.00 C ATOM 487 SD MET A 32 13.682 0.961 -8.102 1.00 0.00 S ATOM 488 CE MET A 32 13.264 0.431 -9.777 1.00 0.00 C ATOM 0 H MET A 32 10.586 3.455 -6.442 1.00 0.00 H new ATOM 0 HA MET A 32 9.403 3.124 -9.052 1.00 0.00 H new ATOM 0 HB2 MET A 32 11.367 1.791 -9.561 1.00 0.00 H new ATOM 0 HB3 MET A 32 11.858 3.213 -8.663 1.00 0.00 H new ATOM 0 HG2 MET A 32 12.033 1.904 -6.598 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.410 0.481 -7.409 1.00 0.00 H new ATOM 0 HE1 MET A 32 14.029 -0.253 -10.144 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.299 -0.076 -9.768 1.00 0.00 H new ATOM 0 HE3 MET A 32 13.211 1.301 -10.431 1.00 0.00 H new ATOM 498 N LEU A 33 9.032 0.741 -6.818 1.00 0.00 N ATOM 499 CA LEU A 33 8.336 -0.573 -6.523 1.00 0.00 C ATOM 500 C LEU A 33 6.838 -0.299 -6.728 1.00 0.00 C ATOM 501 O LEU A 33 6.069 -1.099 -7.184 1.00 0.00 O ATOM 502 CB LEU A 33 8.528 -0.923 -5.043 1.00 0.00 C ATOM 503 CG LEU A 33 9.531 -2.038 -4.795 1.00 0.00 C ATOM 504 CD1 LEU A 33 9.675 -2.199 -3.265 1.00 0.00 C ATOM 505 CD2 LEU A 33 9.049 -3.385 -5.316 1.00 0.00 C ATOM 0 H LEU A 33 9.418 1.210 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 33 8.720 -1.377 -7.151 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.853 -0.030 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.566 -1.214 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 33 10.457 -1.770 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.389 -2.993 -3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.030 -1.264 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.707 -2.454 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.804 -4.145 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.118 -3.656 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.880 -3.320 -6.391 1.00 0.00 H new ATOM 517 N PHE A 34 6.506 0.913 -6.362 1.00 0.00 N ATOM 518 CA PHE A 34 5.070 1.329 -6.567 1.00 0.00 C ATOM 519 C PHE A 34 4.878 1.723 -8.040 1.00 0.00 C ATOM 520 O PHE A 34 3.813 1.637 -8.611 1.00 0.00 O ATOM 521 CB PHE A 34 4.657 2.418 -5.600 1.00 0.00 C ATOM 522 CG PHE A 34 4.418 1.753 -4.249 1.00 0.00 C ATOM 523 CD1 PHE A 34 3.589 0.614 -4.188 1.00 0.00 C ATOM 524 CD2 PHE A 34 4.972 2.205 -3.068 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.307 -0.060 -3.011 1.00 0.00 C ATOM 526 CE2 PHE A 34 4.688 1.524 -1.872 1.00 0.00 C ATOM 527 CZ PHE A 34 3.860 0.393 -1.821 1.00 0.00 C ATOM 0 H PHE A 34 7.127 1.609 -5.949 1.00 0.00 H new ATOM 0 HA PHE A 34 4.408 0.492 -6.347 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.434 3.179 -5.522 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.754 2.919 -5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.152 0.249 -5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.616 3.072 -3.063 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.664 -0.928 -3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.126 1.887 -0.954 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.659 -0.109 -0.886 1.00 0.00 H new ATOM 537 N ASN A 35 5.951 2.151 -8.631 1.00 0.00 N ATOM 538 CA ASN A 35 6.010 2.579 -10.046 1.00 0.00 C ATOM 539 C ASN A 35 5.683 1.366 -10.935 1.00 0.00 C ATOM 540 O ASN A 35 4.985 1.540 -11.897 1.00 0.00 O ATOM 541 CB ASN A 35 7.404 3.123 -10.389 1.00 0.00 C ATOM 542 CG ASN A 35 7.321 3.851 -11.730 1.00 0.00 C ATOM 543 OD1 ASN A 35 6.273 3.934 -12.337 1.00 0.00 O ATOM 544 ND2 ASN A 35 8.372 4.405 -12.278 1.00 0.00 N ATOM 0 H ASN A 35 6.849 2.224 -8.153 1.00 0.00 H new ATOM 0 HA ASN A 35 5.287 3.376 -10.217 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.748 3.802 -9.609 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.126 2.308 -10.444 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.288 4.880 -13.177 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.275 4.362 -11.806 1.00 0.00 H new ATOM 551 N GLN A 36 6.204 0.255 -10.531 1.00 0.00 N ATOM 552 CA GLN A 36 6.008 -1.056 -11.187 1.00 0.00 C ATOM 553 C GLN A 36 4.655 -1.154 -11.937 1.00 0.00 C ATOM 554 O GLN A 36 4.508 -1.743 -12.972 1.00 0.00 O ATOM 555 CB GLN A 36 5.901 -2.088 -10.041 1.00 0.00 C ATOM 556 CG GLN A 36 7.273 -2.504 -9.567 1.00 0.00 C ATOM 557 CD GLN A 36 7.270 -3.906 -8.951 1.00 0.00 C ATOM 558 OE1 GLN A 36 7.677 -4.864 -9.554 1.00 0.00 O ATOM 559 NE2 GLN A 36 6.813 -4.057 -7.744 1.00 0.00 N ATOM 0 H GLN A 36 6.804 0.201 -9.708 1.00 0.00 H new ATOM 0 HA GLN A 36 6.823 -1.213 -11.893 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.338 -1.660 -9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.348 -2.963 -10.383 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.969 -2.479 -10.406 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.635 -1.786 -8.831 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.466 -3.250 -7.225 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.801 -4.982 -7.315 1.00 0.00 H new ATOM 568 N PHE A 37 3.663 -0.550 -11.348 1.00 0.00 N ATOM 569 CA PHE A 37 2.231 -0.489 -11.823 1.00 0.00 C ATOM 570 C PHE A 37 1.881 0.697 -12.723 1.00 0.00 C ATOM 571 O PHE A 37 2.026 1.854 -12.379 1.00 0.00 O ATOM 572 CB PHE A 37 1.337 -0.565 -10.544 1.00 0.00 C ATOM 573 CG PHE A 37 1.596 -1.960 -9.972 1.00 0.00 C ATOM 574 CD1 PHE A 37 0.920 -3.089 -10.448 1.00 0.00 C ATOM 575 CD2 PHE A 37 2.537 -2.157 -8.947 1.00 0.00 C ATOM 576 CE1 PHE A 37 1.170 -4.355 -9.934 1.00 0.00 C ATOM 577 CE2 PHE A 37 2.787 -3.438 -8.426 1.00 0.00 C ATOM 578 CZ PHE A 37 2.103 -4.540 -8.920 1.00 0.00 C ATOM 0 H PHE A 37 3.795 -0.046 -10.471 1.00 0.00 H new ATOM 0 HA PHE A 37 2.050 -1.331 -12.491 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.603 0.212 -9.828 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.284 -0.426 -10.788 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.187 -2.973 -11.233 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.077 -1.309 -8.553 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.633 -5.206 -10.327 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.514 -3.565 -7.638 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.293 -5.526 -8.523 1.00 0.00 H new ATOM 588 N PRO A 38 1.397 0.384 -13.919 1.00 0.00 N ATOM 589 CA PRO A 38 0.989 1.399 -14.943 1.00 0.00 C ATOM 590 C PRO A 38 -0.210 2.188 -14.381 1.00 0.00 C ATOM 591 O PRO A 38 -1.277 1.656 -14.220 1.00 0.00 O ATOM 592 CB PRO A 38 0.483 0.624 -16.141 1.00 0.00 C ATOM 593 CG PRO A 38 0.029 -0.705 -15.504 1.00 0.00 C ATOM 594 CD PRO A 38 1.163 -0.949 -14.478 1.00 0.00 C ATOM 0 HA PRO A 38 1.814 2.065 -15.195 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.339 1.137 -16.640 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.264 0.472 -16.886 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.947 -0.620 -15.026 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.043 -1.509 -16.236 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.865 -1.662 -13.709 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.058 -1.349 -14.954 1.00 0.00 H new ATOM 602 N GLY A 39 0.052 3.447 -14.110 1.00 0.00 N ATOM 603 CA GLY A 39 -1.020 4.310 -13.559 1.00 0.00 C ATOM 604 C GLY A 39 -0.569 4.794 -12.167 1.00 0.00 C ATOM 605 O GLY A 39 -1.124 5.779 -11.740 1.00 0.00 O ATOM 0 H GLY A 39 0.955 3.902 -14.248 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.203 5.159 -14.218 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.956 3.756 -13.486 1.00 0.00 H new ATOM 609 N PHE A 40 0.354 4.114 -11.582 1.00 0.00 N ATOM 610 CA PHE A 40 0.929 4.414 -10.246 1.00 0.00 C ATOM 611 C PHE A 40 0.915 5.903 -9.967 1.00 0.00 C ATOM 612 O PHE A 40 1.220 6.627 -10.899 1.00 0.00 O ATOM 613 CB PHE A 40 2.424 4.024 -10.300 1.00 0.00 C ATOM 614 CG PHE A 40 3.104 4.840 -9.211 1.00 0.00 C ATOM 615 CD1 PHE A 40 2.598 4.659 -7.907 1.00 0.00 C ATOM 616 CD2 PHE A 40 4.156 5.714 -9.472 1.00 0.00 C ATOM 617 CE1 PHE A 40 3.152 5.358 -6.838 1.00 0.00 C ATOM 618 CE2 PHE A 40 4.702 6.418 -8.379 1.00 0.00 C ATOM 619 CZ PHE A 40 4.210 6.242 -7.081 1.00 0.00 C ATOM 0 H PHE A 40 0.772 3.289 -12.012 1.00 0.00 H new ATOM 0 HA PHE A 40 0.354 3.881 -9.489 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.556 2.956 -10.128 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.851 4.245 -11.278 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.779 3.976 -7.737 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.539 5.848 -10.473 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.771 5.220 -5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.516 7.107 -8.547 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.649 6.792 -6.262 1.00 0.00 H new ATOM 629 N LYS A 41 0.585 6.370 -8.779 1.00 0.00 N ATOM 630 CA LYS A 41 0.569 7.833 -8.640 1.00 0.00 C ATOM 631 C LYS A 41 1.580 8.406 -7.643 1.00 0.00 C ATOM 632 O LYS A 41 2.470 9.144 -8.043 1.00 0.00 O ATOM 633 CB LYS A 41 -0.790 8.385 -8.152 1.00 0.00 C ATOM 634 CG LYS A 41 -1.958 7.529 -8.573 1.00 0.00 C ATOM 635 CD LYS A 41 -3.230 8.216 -8.030 1.00 0.00 C ATOM 636 CE LYS A 41 -3.377 9.545 -8.757 1.00 0.00 C ATOM 637 NZ LYS A 41 -3.308 10.690 -7.787 1.00 0.00 N ATOM 0 H LYS A 41 0.342 5.823 -7.953 1.00 0.00 H new ATOM 0 HA LYS A 41 0.811 8.141 -9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.776 8.462 -7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.927 9.394 -8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.000 7.439 -9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.862 6.520 -8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.106 7.589 -8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.151 8.374 -6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.589 9.646 -9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.327 9.570 -9.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.410 11.588 -8.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.075 10.601 -7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.391 10.675 -7.297 1.00 0.00 H new ATOM 651 N GLU A 42 1.425 8.092 -6.376 1.00 0.00 N ATOM 652 CA GLU A 42 2.353 8.688 -5.409 1.00 0.00 C ATOM 653 C GLU A 42 2.690 7.674 -4.336 1.00 0.00 C ATOM 654 O GLU A 42 2.006 6.709 -4.091 1.00 0.00 O ATOM 655 CB GLU A 42 1.698 9.957 -4.812 1.00 0.00 C ATOM 656 CG GLU A 42 1.525 11.045 -5.892 1.00 0.00 C ATOM 657 CD GLU A 42 2.830 11.807 -6.131 1.00 0.00 C ATOM 658 OE1 GLU A 42 3.898 11.233 -6.005 1.00 0.00 O ATOM 659 OE2 GLU A 42 2.722 12.989 -6.450 1.00 0.00 O ATOM 0 H GLU A 42 0.714 7.467 -5.995 1.00 0.00 H new ATOM 0 HA GLU A 42 3.285 8.975 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.727 9.704 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.313 10.341 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.194 10.586 -6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.745 11.743 -5.586 1.00 0.00 H new ATOM 666 N VAL A 43 3.806 7.941 -3.697 1.00 0.00 N ATOM 667 CA VAL A 43 4.376 7.129 -2.630 1.00 0.00 C ATOM 668 C VAL A 43 5.046 8.088 -1.639 1.00 0.00 C ATOM 669 O VAL A 43 5.882 8.874 -1.997 1.00 0.00 O ATOM 670 CB VAL A 43 5.422 6.124 -3.116 1.00 0.00 C ATOM 671 CG1 VAL A 43 5.758 5.164 -1.953 1.00 0.00 C ATOM 672 CG2 VAL A 43 4.964 5.363 -4.358 1.00 0.00 C ATOM 0 H VAL A 43 4.370 8.763 -3.911 1.00 0.00 H new ATOM 0 HA VAL A 43 3.569 6.548 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 43 6.319 6.666 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.503 4.440 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.153 5.735 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.855 4.639 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.742 4.663 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.050 4.814 -4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.773 6.068 -5.167 1.00 0.00 H new ATOM 682 N ARG A 44 4.565 7.960 -0.458 1.00 0.00 N ATOM 683 CA ARG A 44 4.931 8.814 0.711 1.00 0.00 C ATOM 684 C ARG A 44 5.666 7.930 1.733 1.00 0.00 C ATOM 685 O ARG A 44 5.063 7.239 2.506 1.00 0.00 O ATOM 686 CB ARG A 44 3.671 9.343 1.371 1.00 0.00 C ATOM 687 CG ARG A 44 3.852 10.801 1.817 1.00 0.00 C ATOM 688 CD ARG A 44 3.954 11.751 0.616 1.00 0.00 C ATOM 689 NE ARG A 44 3.522 11.111 -0.649 1.00 0.00 N ATOM 690 CZ ARG A 44 2.940 11.859 -1.545 1.00 0.00 C ATOM 691 NH1 ARG A 44 1.890 12.575 -1.248 1.00 0.00 N ATOM 692 NH2 ARG A 44 3.395 11.907 -2.779 1.00 0.00 N ATOM 0 H ARG A 44 3.877 7.244 -0.225 1.00 0.00 H new ATOM 0 HA ARG A 44 5.554 9.646 0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.835 9.273 0.675 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.421 8.724 2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.012 11.097 2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.751 10.887 2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.341 12.633 0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.984 12.093 0.514 1.00 0.00 H new ATOM 0 HE ARG A 44 3.675 10.116 -0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.511 12.556 -0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.449 13.154 -1.963 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.211 11.355 -3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.931 12.496 -3.471 1.00 0.00 H new ATOM 706 N LEU A 45 6.964 8.027 1.641 1.00 0.00 N ATOM 707 CA LEU A 45 7.913 7.301 2.509 1.00 0.00 C ATOM 708 C LEU A 45 8.965 8.323 2.995 1.00 0.00 C ATOM 709 O LEU A 45 9.968 8.541 2.361 1.00 0.00 O ATOM 710 CB LEU A 45 8.597 6.187 1.682 1.00 0.00 C ATOM 711 CG LEU A 45 8.795 4.898 2.509 1.00 0.00 C ATOM 712 CD1 LEU A 45 9.961 4.148 1.873 1.00 0.00 C ATOM 713 CD2 LEU A 45 9.178 5.221 3.959 1.00 0.00 C ATOM 0 H LEU A 45 7.424 8.621 0.951 1.00 0.00 H new ATOM 0 HA LEU A 45 7.407 6.845 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.993 5.965 0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.564 6.541 1.324 1.00 0.00 H new ATOM 0 HG LEU A 45 7.871 4.320 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.143 3.225 2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.720 3.912 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.855 4.771 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.310 4.293 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.109 5.788 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.387 5.812 4.421 1.00 0.00 H new ATOM 725 N VAL A 46 8.741 8.972 4.096 1.00 0.00 N ATOM 726 CA VAL A 46 9.674 10.031 4.614 1.00 0.00 C ATOM 727 C VAL A 46 10.825 9.468 5.433 1.00 0.00 C ATOM 728 O VAL A 46 10.589 8.904 6.468 1.00 0.00 O ATOM 729 CB VAL A 46 8.772 11.026 5.412 1.00 0.00 C ATOM 730 CG1 VAL A 46 9.585 11.664 6.529 1.00 0.00 C ATOM 731 CG2 VAL A 46 8.292 12.077 4.409 1.00 0.00 C ATOM 0 H VAL A 46 7.924 8.814 4.686 1.00 0.00 H new ATOM 0 HA VAL A 46 10.186 10.539 3.796 1.00 0.00 H new ATOM 0 HB VAL A 46 7.921 10.525 5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.956 12.358 7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.952 10.888 7.201 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.430 12.203 6.101 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.655 12.801 4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.153 12.590 3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.726 11.590 3.615 1.00 0.00 H new ATOM 741 N PRO A 47 12.031 9.616 4.982 1.00 0.00 N ATOM 742 CA PRO A 47 13.278 9.152 5.633 1.00 0.00 C ATOM 743 C PRO A 47 13.253 9.394 7.147 1.00 0.00 C ATOM 744 O PRO A 47 13.932 8.674 7.851 1.00 0.00 O ATOM 745 CB PRO A 47 14.347 9.947 4.896 1.00 0.00 C ATOM 746 CG PRO A 47 13.794 9.962 3.449 1.00 0.00 C ATOM 747 CD PRO A 47 12.297 10.293 3.713 1.00 0.00 C ATOM 0 HA PRO A 47 13.447 8.077 5.564 1.00 0.00 H new ATOM 0 HB2 PRO A 47 14.459 10.953 5.301 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.325 9.469 4.955 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.280 10.715 2.828 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.923 9.003 2.947 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.128 11.367 3.785 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.654 9.922 2.915 1.00 0.00 H new ATOM 755 N GLY A 48 12.508 10.359 7.650 1.00 0.00 N ATOM 756 CA GLY A 48 12.550 10.491 9.147 1.00 0.00 C ATOM 757 C GLY A 48 11.988 9.148 9.678 1.00 0.00 C ATOM 758 O GLY A 48 12.401 8.621 10.676 1.00 0.00 O ATOM 0 H GLY A 48 11.917 11.013 7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.567 10.662 9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.948 11.334 9.487 1.00 0.00 H new ATOM 762 N ARG A 49 11.034 8.646 8.920 1.00 0.00 N ATOM 763 CA ARG A 49 10.356 7.370 9.175 1.00 0.00 C ATOM 764 C ARG A 49 11.095 6.159 8.541 1.00 0.00 C ATOM 765 O ARG A 49 11.604 5.352 9.266 1.00 0.00 O ATOM 766 CB ARG A 49 8.953 7.396 8.516 1.00 0.00 C ATOM 767 CG ARG A 49 8.146 8.479 9.214 1.00 0.00 C ATOM 768 CD ARG A 49 7.345 7.777 10.332 1.00 0.00 C ATOM 769 NE ARG A 49 8.261 7.460 11.463 1.00 0.00 N ATOM 770 CZ ARG A 49 8.336 8.193 12.538 1.00 0.00 C ATOM 771 NH1 ARG A 49 8.623 9.474 12.499 1.00 0.00 N ATOM 772 NH2 ARG A 49 8.131 7.692 13.737 1.00 0.00 N ATOM 0 H ARG A 49 10.692 9.120 8.084 1.00 0.00 H new ATOM 0 HA ARG A 49 10.321 7.255 10.258 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.033 7.604 7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.463 6.427 8.616 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.802 9.245 9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.477 8.978 8.512 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.534 8.420 10.674 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.888 6.864 9.951 1.00 0.00 H new ATOM 0 HE ARG A 49 8.855 6.634 11.393 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.797 9.931 11.604 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.672 10.012 13.364 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.906 6.703 13.845 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.197 8.293 14.559 1.00 0.00 H new ATOM 786 N HIS A 50 11.040 6.139 7.231 1.00 0.00 N ATOM 787 CA HIS A 50 11.622 4.948 6.482 1.00 0.00 C ATOM 788 C HIS A 50 10.660 3.775 6.857 1.00 0.00 C ATOM 789 O HIS A 50 10.971 2.633 6.655 1.00 0.00 O ATOM 790 CB HIS A 50 12.982 4.465 6.966 1.00 0.00 C ATOM 791 CG HIS A 50 14.075 5.491 6.884 1.00 0.00 C ATOM 792 ND1 HIS A 50 14.514 6.103 5.735 1.00 0.00 N ATOM 793 CD2 HIS A 50 14.836 5.995 7.927 1.00 0.00 C ATOM 794 CE1 HIS A 50 15.502 6.939 6.115 1.00 0.00 C ATOM 795 NE2 HIS A 50 15.735 6.916 7.420 1.00 0.00 N ATOM 0 H HIS A 50 10.631 6.869 6.648 1.00 0.00 H new ATOM 0 HA HIS A 50 11.726 5.233 5.435 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.889 4.135 8.001 1.00 0.00 H new ATOM 0 HB3 HIS A 50 13.274 3.594 6.379 1.00 0.00 H new ATOM 0 HD2 HIS A 50 14.742 5.715 8.966 1.00 0.00 H new ATOM 0 HE1 HIS A 50 16.049 7.565 5.425 1.00 0.00 H new ATOM 0 HE2 HIS A 50 16.426 7.459 7.937 1.00 0.00 H new ATOM 804 N ASP A 51 9.522 4.145 7.417 1.00 0.00 N ATOM 805 CA ASP A 51 8.597 3.053 7.836 1.00 0.00 C ATOM 806 C ASP A 51 7.118 3.366 7.738 1.00 0.00 C ATOM 807 O ASP A 51 6.305 2.559 8.093 1.00 0.00 O ATOM 808 CB ASP A 51 8.860 2.637 9.300 1.00 0.00 C ATOM 809 CG ASP A 51 8.386 3.758 10.212 1.00 0.00 C ATOM 810 OD1 ASP A 51 9.095 4.743 10.254 1.00 0.00 O ATOM 811 OD2 ASP A 51 7.354 3.603 10.830 1.00 0.00 O ATOM 0 H ASP A 51 9.213 5.101 7.591 1.00 0.00 H new ATOM 0 HA ASP A 51 8.817 2.259 7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.333 1.712 9.532 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.922 2.446 9.455 1.00 0.00 H new ATOM 816 N ILE A 52 6.692 4.510 7.233 1.00 0.00 N ATOM 817 CA ILE A 52 5.279 4.890 7.071 1.00 0.00 C ATOM 818 C ILE A 52 5.117 5.152 5.554 1.00 0.00 C ATOM 819 O ILE A 52 5.692 6.046 4.991 1.00 0.00 O ATOM 820 CB ILE A 52 4.817 6.044 7.931 1.00 0.00 C ATOM 821 CG1 ILE A 52 5.525 7.367 7.592 1.00 0.00 C ATOM 822 CG2 ILE A 52 4.995 5.686 9.418 1.00 0.00 C ATOM 823 CD1 ILE A 52 4.617 8.251 6.718 1.00 0.00 C ATOM 0 H ILE A 52 7.334 5.233 6.910 1.00 0.00 H new ATOM 0 HA ILE A 52 4.628 4.091 7.427 1.00 0.00 H new ATOM 0 HB ILE A 52 3.760 6.207 7.720 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.783 7.895 8.510 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.459 7.164 7.068 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.661 6.520 10.035 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.403 4.801 9.653 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.047 5.483 9.620 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.131 9.184 6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.381 7.727 5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.695 8.469 7.256 1.00 0.00 H new ATOM 835 N ALA A 53 4.335 4.292 4.920 1.00 0.00 N ATOM 836 CA ALA A 53 4.155 4.322 3.471 1.00 0.00 C ATOM 837 C ALA A 53 2.689 4.652 3.124 1.00 0.00 C ATOM 838 O ALA A 53 1.788 3.947 3.566 1.00 0.00 O ATOM 839 CB ALA A 53 4.466 2.915 2.918 1.00 0.00 C ATOM 0 H ALA A 53 3.808 3.556 5.390 1.00 0.00 H new ATOM 0 HA ALA A 53 4.813 5.077 3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.338 2.913 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.494 2.647 3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.786 2.190 3.365 1.00 0.00 H new ATOM 845 N PHE A 54 2.595 5.701 2.379 1.00 0.00 N ATOM 846 CA PHE A 54 1.310 6.223 1.779 1.00 0.00 C ATOM 847 C PHE A 54 1.439 6.157 0.233 1.00 0.00 C ATOM 848 O PHE A 54 2.056 6.947 -0.434 1.00 0.00 O ATOM 849 CB PHE A 54 1.060 7.676 2.135 1.00 0.00 C ATOM 850 CG PHE A 54 -0.371 7.910 2.620 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.392 8.135 1.698 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.638 7.894 3.998 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.695 8.349 2.140 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.944 8.107 4.445 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.966 8.335 3.509 1.00 0.00 C ATOM 0 H PHE A 54 3.406 6.270 2.135 1.00 0.00 H new ATOM 0 HA PHE A 54 0.492 5.616 2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.761 7.985 2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.254 8.301 1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.172 8.143 0.641 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.159 7.719 4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.489 8.524 1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.166 8.096 5.502 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.976 8.502 3.854 1.00 0.00 H new ATOM 865 N VAL A 55 0.816 5.104 -0.300 1.00 0.00 N ATOM 866 CA VAL A 55 0.867 4.738 -1.721 1.00 0.00 C ATOM 867 C VAL A 55 -0.461 4.820 -2.464 1.00 0.00 C ATOM 868 O VAL A 55 -1.390 4.045 -2.413 1.00 0.00 O ATOM 869 CB VAL A 55 1.242 3.225 -1.718 1.00 0.00 C ATOM 870 CG1 VAL A 55 1.310 2.645 -3.102 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.552 3.084 -0.934 1.00 0.00 C ATOM 0 H VAL A 55 0.248 4.465 0.256 1.00 0.00 H new ATOM 0 HA VAL A 55 1.552 5.425 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 55 0.461 2.642 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.575 1.589 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.340 2.748 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.065 3.176 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.850 2.036 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.332 3.671 -1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.407 3.445 0.084 1.00 0.00 H new ATOM 881 N GLU A 56 -0.490 5.874 -3.259 1.00 0.00 N ATOM 882 CA GLU A 56 -1.598 6.311 -4.114 1.00 0.00 C ATOM 883 C GLU A 56 -1.461 5.738 -5.545 1.00 0.00 C ATOM 884 O GLU A 56 -0.599 6.148 -6.269 1.00 0.00 O ATOM 885 CB GLU A 56 -1.584 7.850 -4.306 1.00 0.00 C ATOM 886 CG GLU A 56 -2.120 8.589 -3.069 1.00 0.00 C ATOM 887 CD GLU A 56 -1.408 9.938 -2.989 1.00 0.00 C ATOM 888 OE1 GLU A 56 -1.335 10.618 -4.013 1.00 0.00 O ATOM 889 OE2 GLU A 56 -0.940 10.297 -1.921 1.00 0.00 O ATOM 0 H GLU A 56 0.314 6.497 -3.335 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.506 5.966 -3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.566 8.180 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.187 8.113 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.198 8.730 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.937 8.006 -2.166 1.00 0.00 H new ATOM 896 N PHE A 57 -2.301 4.798 -5.803 1.00 0.00 N ATOM 897 CA PHE A 57 -2.360 4.009 -7.076 1.00 0.00 C ATOM 898 C PHE A 57 -3.701 4.358 -7.772 1.00 0.00 C ATOM 899 O PHE A 57 -4.704 3.969 -7.248 1.00 0.00 O ATOM 900 CB PHE A 57 -2.581 2.503 -6.784 1.00 0.00 C ATOM 901 CG PHE A 57 -1.364 1.698 -6.496 1.00 0.00 C ATOM 902 CD1 PHE A 57 -0.502 1.382 -7.531 1.00 0.00 C ATOM 903 CD2 PHE A 57 -1.152 1.262 -5.163 1.00 0.00 C ATOM 904 CE1 PHE A 57 0.613 0.595 -7.249 1.00 0.00 C ATOM 905 CE2 PHE A 57 -0.037 0.475 -4.877 1.00 0.00 C ATOM 906 CZ PHE A 57 0.814 0.157 -5.936 1.00 0.00 C ATOM 0 H PHE A 57 -3.014 4.512 -5.132 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.446 4.217 -7.632 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.257 2.416 -5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.088 2.060 -7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.689 1.737 -8.534 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.844 1.536 -4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.309 0.328 -8.030 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.160 0.125 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.675 -0.461 -5.731 1.00 0.00 H new ATOM 916 N ASP A 58 -3.557 5.045 -8.837 1.00 0.00 N ATOM 917 CA ASP A 58 -4.727 5.496 -9.671 1.00 0.00 C ATOM 918 C ASP A 58 -5.905 4.546 -9.543 1.00 0.00 C ATOM 919 O ASP A 58 -7.033 5.008 -9.582 1.00 0.00 O ATOM 920 CB ASP A 58 -4.347 5.521 -11.170 1.00 0.00 C ATOM 921 CG ASP A 58 -5.168 6.578 -11.880 1.00 0.00 C ATOM 922 OD1 ASP A 58 -6.241 6.902 -11.426 1.00 0.00 O ATOM 923 OD2 ASP A 58 -4.665 7.046 -12.897 1.00 0.00 O ATOM 0 H ASP A 58 -2.650 5.338 -9.201 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.997 6.488 -9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.284 5.734 -11.283 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.526 4.544 -11.618 1.00 0.00 H new ATOM 928 N ASN A 59 -5.691 3.252 -9.389 1.00 0.00 N ATOM 929 CA ASN A 59 -6.881 2.387 -9.257 1.00 0.00 C ATOM 930 C ASN A 59 -6.572 1.096 -8.464 1.00 0.00 C ATOM 931 O ASN A 59 -5.506 0.574 -8.430 1.00 0.00 O ATOM 932 CB ASN A 59 -7.512 2.035 -10.617 1.00 0.00 C ATOM 933 CG ASN A 59 -6.727 0.933 -11.337 1.00 0.00 C ATOM 934 OD1 ASN A 59 -6.599 -0.189 -10.924 1.00 0.00 O ATOM 935 ND2 ASN A 59 -6.163 1.241 -12.470 1.00 0.00 N ATOM 0 H ASN A 59 -4.783 2.789 -9.352 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.610 2.971 -8.695 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.542 1.710 -10.467 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.547 2.926 -11.244 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.630 0.538 -12.982 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.254 2.185 -12.845 1.00 0.00 H new ATOM 942 N GLU A 60 -7.590 0.619 -7.825 1.00 0.00 N ATOM 943 CA GLU A 60 -7.546 -0.642 -6.985 1.00 0.00 C ATOM 944 C GLU A 60 -7.162 -1.899 -7.770 1.00 0.00 C ATOM 945 O GLU A 60 -6.744 -2.888 -7.212 1.00 0.00 O ATOM 946 CB GLU A 60 -8.836 -0.809 -6.187 1.00 0.00 C ATOM 947 CG GLU A 60 -10.079 -0.781 -7.064 1.00 0.00 C ATOM 948 CD GLU A 60 -10.307 -2.159 -7.721 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.621 -3.052 -6.957 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.152 -2.220 -8.921 1.00 0.00 O ATOM 0 H GLU A 60 -8.508 1.062 -7.840 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.730 -0.513 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.802 -1.753 -5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.903 -0.015 -5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.948 -0.509 -6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.971 -0.017 -7.834 1.00 0.00 H new ATOM 957 N VAL A 61 -7.263 -1.986 -9.083 1.00 0.00 N ATOM 958 CA VAL A 61 -6.837 -3.250 -9.800 1.00 0.00 C ATOM 959 C VAL A 61 -5.283 -3.252 -9.709 1.00 0.00 C ATOM 960 O VAL A 61 -4.609 -4.218 -9.442 1.00 0.00 O ATOM 961 CB VAL A 61 -7.272 -3.186 -11.252 1.00 0.00 C ATOM 962 CG1 VAL A 61 -6.696 -4.420 -11.972 1.00 0.00 C ATOM 963 CG2 VAL A 61 -8.818 -3.203 -11.306 1.00 0.00 C ATOM 0 H VAL A 61 -7.618 -1.245 -9.688 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.278 -4.147 -9.365 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.912 -2.278 -11.735 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.993 -4.401 -13.021 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.608 -4.407 -11.903 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.079 -5.326 -11.503 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.146 -3.157 -12.344 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.188 -4.120 -10.848 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.210 -2.343 -10.763 1.00 0.00 H new ATOM 973 N GLN A 62 -4.743 -2.071 -9.945 1.00 0.00 N ATOM 974 CA GLN A 62 -3.260 -1.907 -9.862 1.00 0.00 C ATOM 975 C GLN A 62 -2.875 -1.770 -8.402 1.00 0.00 C ATOM 976 O GLN A 62 -1.794 -2.205 -8.017 1.00 0.00 O ATOM 977 CB GLN A 62 -2.698 -0.687 -10.615 1.00 0.00 C ATOM 978 CG GLN A 62 -3.373 0.625 -10.190 1.00 0.00 C ATOM 979 CD GLN A 62 -2.678 1.868 -10.734 1.00 0.00 C ATOM 980 OE1 GLN A 62 -3.160 2.954 -10.485 1.00 0.00 O ATOM 981 NE2 GLN A 62 -1.593 1.733 -11.446 1.00 0.00 N ATOM 0 H GLN A 62 -5.263 -1.228 -10.188 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.834 -2.789 -10.340 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.625 -0.615 -10.436 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.833 -0.831 -11.687 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.409 0.619 -10.530 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.395 0.677 -9.101 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.219 0.803 -11.634 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.119 2.558 -11.815 1.00 0.00 H new ATOM 990 N ALA A 63 -3.656 -1.211 -7.554 1.00 0.00 N ATOM 991 CA ALA A 63 -3.234 -1.078 -6.124 1.00 0.00 C ATOM 992 C ALA A 63 -3.290 -2.509 -5.557 1.00 0.00 C ATOM 993 O ALA A 63 -2.475 -2.968 -4.805 1.00 0.00 O ATOM 994 CB ALA A 63 -4.180 -0.155 -5.379 1.00 0.00 C ATOM 0 H ALA A 63 -4.578 -0.832 -7.772 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.239 -0.645 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.861 -0.068 -4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.170 0.830 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.190 -0.563 -5.415 1.00 0.00 H new ATOM 1000 N GLY A 64 -4.334 -3.171 -6.005 1.00 0.00 N ATOM 1001 CA GLY A 64 -4.619 -4.584 -5.612 1.00 0.00 C ATOM 1002 C GLY A 64 -3.526 -5.422 -6.231 1.00 0.00 C ATOM 1003 O GLY A 64 -3.079 -6.402 -5.669 1.00 0.00 O ATOM 0 H GLY A 64 -5.019 -2.773 -6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.626 -4.693 -4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.600 -4.897 -5.970 1.00 0.00 H new ATOM 1007 N ALA A 65 -3.054 -5.082 -7.396 1.00 0.00 N ATOM 1008 CA ALA A 65 -1.970 -5.863 -8.071 1.00 0.00 C ATOM 1009 C ALA A 65 -0.719 -5.731 -7.205 1.00 0.00 C ATOM 1010 O ALA A 65 -0.137 -6.683 -6.699 1.00 0.00 O ATOM 1011 CB ALA A 65 -1.720 -5.303 -9.458 1.00 0.00 C ATOM 0 H ALA A 65 -3.380 -4.274 -7.926 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.249 -6.911 -8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.930 -5.875 -9.945 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.634 -5.371 -10.048 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.416 -4.259 -9.380 1.00 0.00 H new ATOM 1017 N ALA A 66 -0.238 -4.515 -6.972 1.00 0.00 N ATOM 1018 CA ALA A 66 0.956 -4.236 -6.145 1.00 0.00 C ATOM 1019 C ALA A 66 0.787 -4.831 -4.756 1.00 0.00 C ATOM 1020 O ALA A 66 1.639 -5.514 -4.202 1.00 0.00 O ATOM 1021 CB ALA A 66 1.025 -2.713 -5.949 1.00 0.00 C ATOM 0 H ALA A 66 -0.667 -3.672 -7.354 1.00 0.00 H new ATOM 0 HA ALA A 66 1.839 -4.651 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.895 -2.463 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.108 -2.225 -6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.121 -2.370 -5.446 1.00 0.00 H new ATOM 1027 N ARG A 67 -0.339 -4.583 -4.150 1.00 0.00 N ATOM 1028 CA ARG A 67 -0.661 -5.088 -2.798 1.00 0.00 C ATOM 1029 C ARG A 67 -0.688 -6.603 -2.834 1.00 0.00 C ATOM 1030 O ARG A 67 -0.150 -7.224 -1.963 1.00 0.00 O ATOM 1031 CB ARG A 67 -2.024 -4.522 -2.350 1.00 0.00 C ATOM 1032 CG ARG A 67 -2.160 -4.536 -0.810 1.00 0.00 C ATOM 1033 CD ARG A 67 -2.443 -5.949 -0.286 1.00 0.00 C ATOM 1034 NE ARG A 67 -3.859 -6.028 0.141 1.00 0.00 N ATOM 1035 CZ ARG A 67 -4.160 -6.198 1.397 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -4.254 -5.149 2.170 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -4.350 -7.412 1.813 1.00 0.00 N ATOM 0 H ARG A 67 -1.083 -4.021 -4.564 1.00 0.00 H new ATOM 0 HA ARG A 67 0.095 -4.766 -2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.135 -3.502 -2.718 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.828 -5.110 -2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.243 -4.156 -0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.965 -3.866 -0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.242 -6.686 -1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.784 -6.180 0.551 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.603 -5.949 -0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.093 -4.217 1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.489 -5.262 3.156 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.262 -8.193 1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.587 -7.585 2.790 1.00 0.00 H new ATOM 1051 N ASP A 68 -1.281 -7.244 -3.799 1.00 0.00 N ATOM 1052 CA ASP A 68 -1.325 -8.744 -3.874 1.00 0.00 C ATOM 1053 C ASP A 68 0.094 -9.280 -4.142 1.00 0.00 C ATOM 1054 O ASP A 68 0.485 -10.371 -3.768 1.00 0.00 O ATOM 1055 CB ASP A 68 -2.319 -9.261 -4.923 1.00 0.00 C ATOM 1056 CG ASP A 68 -3.737 -8.850 -4.548 1.00 0.00 C ATOM 1057 OD1 ASP A 68 -4.053 -8.604 -3.411 1.00 0.00 O ATOM 1058 OD2 ASP A 68 -4.527 -8.779 -5.468 1.00 0.00 O ATOM 0 H ASP A 68 -1.757 -6.778 -4.572 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.685 -9.116 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.064 -8.862 -5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.253 -10.347 -4.993 1.00 0.00 H new ATOM 1063 N ALA A 69 0.901 -8.509 -4.805 1.00 0.00 N ATOM 1064 CA ALA A 69 2.310 -8.923 -5.122 1.00 0.00 C ATOM 1065 C ALA A 69 3.141 -8.958 -3.820 1.00 0.00 C ATOM 1066 O ALA A 69 3.850 -9.874 -3.502 1.00 0.00 O ATOM 1067 CB ALA A 69 2.868 -7.908 -6.102 1.00 0.00 C ATOM 0 H ALA A 69 0.646 -7.585 -5.153 1.00 0.00 H new ATOM 0 HA ALA A 69 2.345 -9.919 -5.563 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.893 -8.175 -6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.259 -7.902 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.853 -6.917 -5.648 1.00 0.00 H new ATOM 1073 N LEU A 70 3.004 -7.885 -3.078 1.00 0.00 N ATOM 1074 CA LEU A 70 3.741 -7.759 -1.786 1.00 0.00 C ATOM 1075 C LEU A 70 2.677 -7.452 -0.707 1.00 0.00 C ATOM 1076 O LEU A 70 2.700 -6.428 -0.038 1.00 0.00 O ATOM 1077 CB LEU A 70 4.757 -6.619 -1.781 1.00 0.00 C ATOM 1078 CG LEU A 70 4.111 -5.381 -2.391 1.00 0.00 C ATOM 1079 CD1 LEU A 70 4.681 -4.094 -1.753 1.00 0.00 C ATOM 1080 CD2 LEU A 70 4.427 -5.291 -3.883 1.00 0.00 C ATOM 0 H LEU A 70 2.411 -7.090 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 70 4.295 -8.681 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.085 -6.410 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.643 -6.901 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 70 3.039 -5.466 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.205 -3.223 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.484 -4.101 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.757 -4.049 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.957 -4.401 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.506 -5.232 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.043 -6.176 -4.390 1.00 0.00 H new ATOM 1092 N GLN A 71 1.719 -8.305 -0.499 1.00 0.00 N ATOM 1093 CA GLN A 71 0.638 -8.086 0.534 1.00 0.00 C ATOM 1094 C GLN A 71 1.117 -8.364 1.957 1.00 0.00 C ATOM 1095 O GLN A 71 0.392 -8.190 2.912 1.00 0.00 O ATOM 1096 CB GLN A 71 -0.508 -9.053 0.248 1.00 0.00 C ATOM 1097 CG GLN A 71 -1.767 -8.628 1.010 1.00 0.00 C ATOM 1098 CD GLN A 71 -2.246 -9.744 1.914 1.00 0.00 C ATOM 1099 OE1 GLN A 71 -2.826 -10.687 1.435 1.00 0.00 O ATOM 1100 NE2 GLN A 71 -2.040 -9.705 3.207 1.00 0.00 N ATOM 0 H GLN A 71 1.626 -9.180 -1.014 1.00 0.00 H new ATOM 0 HA GLN A 71 0.335 -7.041 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.714 -9.077 -0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.222 -10.063 0.540 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.557 -7.738 1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.554 -8.362 0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.551 -8.912 3.622 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.369 -10.468 3.799 1.00 0.00 H new ATOM 1109 N GLY A 72 2.334 -8.800 2.055 1.00 0.00 N ATOM 1110 CA GLY A 72 2.880 -9.101 3.410 1.00 0.00 C ATOM 1111 C GLY A 72 4.399 -9.296 3.228 1.00 0.00 C ATOM 1112 O GLY A 72 4.951 -10.273 3.663 1.00 0.00 O ATOM 0 H GLY A 72 2.970 -8.961 1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.672 -8.286 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.419 -9.997 3.825 1.00 0.00 H new ATOM 1116 N PHE A 73 4.977 -8.333 2.581 1.00 0.00 N ATOM 1117 CA PHE A 73 6.432 -8.304 2.287 1.00 0.00 C ATOM 1118 C PHE A 73 7.173 -8.615 3.598 1.00 0.00 C ATOM 1119 O PHE A 73 7.425 -7.721 4.362 1.00 0.00 O ATOM 1120 CB PHE A 73 6.838 -6.938 1.718 1.00 0.00 C ATOM 1121 CG PHE A 73 8.268 -7.012 1.273 1.00 0.00 C ATOM 1122 CD1 PHE A 73 9.059 -8.156 1.365 1.00 0.00 C ATOM 1123 CD2 PHE A 73 8.865 -5.861 0.726 1.00 0.00 C ATOM 1124 CE1 PHE A 73 10.399 -8.181 0.935 1.00 0.00 C ATOM 1125 CE2 PHE A 73 10.202 -5.875 0.293 1.00 0.00 C ATOM 1126 CZ PHE A 73 10.984 -7.035 0.394 1.00 0.00 C ATOM 0 H PHE A 73 4.473 -7.521 2.225 1.00 0.00 H new ATOM 0 HA PHE A 73 6.691 -9.046 1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.194 -6.671 0.880 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.716 -6.162 2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.628 -9.055 1.781 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.287 -4.953 0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.976 -9.089 1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.634 -4.978 -0.124 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.012 -7.041 0.062 1.00 0.00 H new ATOM 1136 N LYS A 74 7.474 -9.873 3.774 1.00 0.00 N ATOM 1137 CA LYS A 74 8.186 -10.384 4.969 1.00 0.00 C ATOM 1138 C LYS A 74 9.504 -9.610 5.190 1.00 0.00 C ATOM 1139 O LYS A 74 10.554 -10.096 4.806 1.00 0.00 O ATOM 1140 CB LYS A 74 8.487 -11.862 4.791 1.00 0.00 C ATOM 1141 CG LYS A 74 8.971 -12.115 3.355 1.00 0.00 C ATOM 1142 CD LYS A 74 10.062 -13.177 3.363 1.00 0.00 C ATOM 1143 CE LYS A 74 9.479 -14.583 3.259 1.00 0.00 C ATOM 1144 NZ LYS A 74 9.258 -15.131 4.635 1.00 0.00 N ATOM 0 H LYS A 74 7.240 -10.600 3.098 1.00 0.00 H new ATOM 0 HA LYS A 74 7.548 -10.242 5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.249 -12.178 5.504 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.594 -12.453 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.138 -12.440 2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.352 -11.191 2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.745 -13.004 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.647 -13.092 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.538 -14.559 2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.157 -15.230 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.892 -16.102 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.158 -15.135 5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.570 -14.536 5.139 1.00 0.00 H new ATOM 1158 N ILE A 75 9.408 -8.451 5.785 1.00 0.00 N ATOM 1159 CA ILE A 75 10.577 -7.585 6.074 1.00 0.00 C ATOM 1160 C ILE A 75 11.680 -8.436 6.738 1.00 0.00 C ATOM 1161 O ILE A 75 12.862 -8.247 6.540 1.00 0.00 O ATOM 1162 CB ILE A 75 10.137 -6.507 7.068 1.00 0.00 C ATOM 1163 CG1 ILE A 75 9.149 -5.531 6.387 1.00 0.00 C ATOM 1164 CG2 ILE A 75 11.317 -5.709 7.608 1.00 0.00 C ATOM 1165 CD1 ILE A 75 9.616 -5.237 4.964 1.00 0.00 C ATOM 0 H ILE A 75 8.520 -8.056 6.095 1.00 0.00 H new ATOM 0 HA ILE A 75 10.952 -7.137 5.154 1.00 0.00 H new ATOM 0 HB ILE A 75 9.657 -7.018 7.902 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.149 -5.964 6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.086 -4.605 6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 75 10.957 -4.956 8.309 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.007 -6.380 8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.833 -5.219 6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.918 -4.549 4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.608 -4.786 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.656 -6.166 4.395 1.00 0.00 H new ATOM 1177 N THR A 76 11.241 -9.383 7.529 1.00 0.00 N ATOM 1178 CA THR A 76 12.248 -10.247 8.203 1.00 0.00 C ATOM 1179 C THR A 76 11.793 -11.725 8.260 1.00 0.00 C ATOM 1180 O THR A 76 12.589 -12.599 7.993 1.00 0.00 O ATOM 1181 CB THR A 76 12.444 -9.769 9.654 1.00 0.00 C ATOM 1182 OG1 THR A 76 12.955 -8.436 9.675 1.00 0.00 O ATOM 1183 CG2 THR A 76 13.437 -10.655 10.391 1.00 0.00 C ATOM 0 H THR A 76 10.263 -9.589 7.731 1.00 0.00 H new ATOM 0 HA THR A 76 13.171 -10.177 7.627 1.00 0.00 H new ATOM 0 HB THR A 76 11.470 -9.814 10.142 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.073 -8.145 10.603 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.557 -10.295 11.413 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.067 -11.680 10.408 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.400 -10.625 9.881 1.00 0.00 H new ATOM 1191 N GLN A 77 10.561 -11.897 8.602 1.00 0.00 N ATOM 1192 CA GLN A 77 9.930 -13.255 8.729 1.00 0.00 C ATOM 1193 C GLN A 77 8.703 -13.062 9.654 1.00 0.00 C ATOM 1194 O GLN A 77 7.620 -13.544 9.376 1.00 0.00 O ATOM 1195 CB GLN A 77 10.850 -14.231 9.428 1.00 0.00 C ATOM 1196 CG GLN A 77 10.076 -15.549 9.653 1.00 0.00 C ATOM 1197 CD GLN A 77 9.927 -15.781 11.141 1.00 0.00 C ATOM 1198 OE1 GLN A 77 9.126 -15.201 11.854 1.00 0.00 O ATOM 1199 NE2 GLN A 77 10.711 -16.660 11.708 1.00 0.00 N ATOM 0 H GLN A 77 9.926 -11.127 8.811 1.00 0.00 H new ATOM 0 HA GLN A 77 9.691 -13.644 7.739 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.741 -14.411 8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.187 -13.821 10.380 1.00 0.00 H new ATOM 0 HG2 GLN A 77 9.096 -15.496 9.180 1.00 0.00 H new ATOM 0 HG3 GLN A 77 10.608 -16.382 9.193 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.396 -17.168 11.149 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.638 -16.838 12.710 1.00 0.00 H new ATOM 1208 N ASN A 78 8.944 -12.357 10.711 1.00 0.00 N ATOM 1209 CA ASN A 78 7.902 -12.039 11.749 1.00 0.00 C ATOM 1210 C ASN A 78 7.373 -10.632 11.380 1.00 0.00 C ATOM 1211 O ASN A 78 6.228 -10.285 11.547 1.00 0.00 O ATOM 1212 CB ASN A 78 8.512 -11.925 13.132 1.00 0.00 C ATOM 1213 CG ASN A 78 7.405 -11.987 14.190 1.00 0.00 C ATOM 1214 OD1 ASN A 78 7.070 -10.975 14.764 1.00 0.00 O ATOM 1215 ND2 ASN A 78 6.847 -13.152 14.443 1.00 0.00 N ATOM 0 H ASN A 78 9.861 -11.963 10.920 1.00 0.00 H new ATOM 0 HA ASN A 78 7.141 -12.820 11.765 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.227 -12.732 13.292 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.062 -10.988 13.222 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.107 -13.222 15.142 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.154 -13.985 13.940 1.00 0.00 H new ATOM 1222 N ASN A 79 8.309 -9.858 10.865 1.00 0.00 N ATOM 1223 CA ASN A 79 8.054 -8.461 10.419 1.00 0.00 C ATOM 1224 C ASN A 79 7.652 -8.546 8.926 1.00 0.00 C ATOM 1225 O ASN A 79 8.439 -8.873 8.077 1.00 0.00 O ATOM 1226 CB ASN A 79 9.330 -7.644 10.483 1.00 0.00 C ATOM 1227 CG ASN A 79 9.789 -7.502 11.939 1.00 0.00 C ATOM 1228 OD1 ASN A 79 9.958 -8.520 12.576 1.00 0.00 O ATOM 1229 ND2 ASN A 79 9.993 -6.347 12.484 1.00 0.00 N ATOM 0 H ASN A 79 9.274 -10.160 10.735 1.00 0.00 H new ATOM 0 HA ASN A 79 7.292 -8.001 11.048 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.110 -8.125 9.893 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.163 -6.659 10.048 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.298 -6.288 13.456 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.849 -5.495 11.942 1.00 0.00 H new ATOM 1236 N ALA A 80 6.424 -8.242 8.671 1.00 0.00 N ATOM 1237 CA ALA A 80 5.837 -8.257 7.291 1.00 0.00 C ATOM 1238 C ALA A 80 5.247 -6.848 7.073 1.00 0.00 C ATOM 1239 O ALA A 80 4.621 -6.368 8.003 1.00 0.00 O ATOM 1240 CB ALA A 80 4.785 -9.334 7.135 1.00 0.00 C ATOM 0 H ALA A 80 5.758 -7.968 9.394 1.00 0.00 H new ATOM 0 HA ALA A 80 6.595 -8.491 6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.386 -9.309 6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.232 -10.310 7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.978 -9.160 7.846 1.00 0.00 H new ATOM 1246 N MET A 81 5.446 -6.259 5.938 1.00 0.00 N ATOM 1247 CA MET A 81 4.870 -4.893 5.770 1.00 0.00 C ATOM 1248 C MET A 81 3.379 -4.841 6.070 1.00 0.00 C ATOM 1249 O MET A 81 2.617 -5.771 5.853 1.00 0.00 O ATOM 1250 CB MET A 81 5.148 -4.393 4.336 1.00 0.00 C ATOM 1251 CG MET A 81 3.874 -3.869 3.673 1.00 0.00 C ATOM 1252 SD MET A 81 4.334 -2.871 2.220 1.00 0.00 S ATOM 1253 CE MET A 81 5.926 -3.632 1.860 1.00 0.00 C ATOM 0 H MET A 81 5.960 -6.638 5.143 1.00 0.00 H new ATOM 0 HA MET A 81 5.355 -4.240 6.495 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.898 -3.602 4.363 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.563 -5.205 3.740 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.236 -4.700 3.373 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.302 -3.266 4.379 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.387 -3.127 1.012 1.00 0.00 H new ATOM 0 HE2 MET A 81 6.576 -3.546 2.731 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.780 -4.685 1.619 1.00 0.00 H new ATOM 1263 N LYS A 82 2.900 -3.709 6.568 1.00 0.00 N ATOM 1264 CA LYS A 82 1.470 -3.507 6.870 1.00 0.00 C ATOM 1265 C LYS A 82 1.037 -2.194 6.144 1.00 0.00 C ATOM 1266 O LYS A 82 1.586 -1.176 6.487 1.00 0.00 O ATOM 1267 CB LYS A 82 1.275 -3.473 8.383 1.00 0.00 C ATOM 1268 CG LYS A 82 2.183 -4.463 9.144 1.00 0.00 C ATOM 1269 CD LYS A 82 1.600 -5.861 9.028 1.00 0.00 C ATOM 1270 CE LYS A 82 0.501 -6.034 10.078 1.00 0.00 C ATOM 1271 NZ LYS A 82 1.084 -6.465 11.381 1.00 0.00 N ATOM 0 H LYS A 82 3.483 -2.899 6.778 1.00 0.00 H new ATOM 0 HA LYS A 82 0.839 -4.319 6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.470 -2.463 8.744 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.233 -3.698 8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.192 -4.441 8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.260 -4.173 10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.193 -6.017 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.381 -6.607 9.174 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.037 -5.095 10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.224 -6.773 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.323 -6.577 12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.578 -7.372 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.758 -5.747 11.714 1.00 0.00 H new ATOM 1285 N ILE A 83 0.157 -2.427 5.207 1.00 0.00 N ATOM 1286 CA ILE A 83 -0.408 -1.454 4.243 1.00 0.00 C ATOM 1287 C ILE A 83 -1.950 -1.591 4.388 1.00 0.00 C ATOM 1288 O ILE A 83 -2.491 -2.654 4.239 1.00 0.00 O ATOM 1289 CB ILE A 83 0.082 -1.853 2.830 1.00 0.00 C ATOM 1290 CG1 ILE A 83 1.038 -0.734 2.352 1.00 0.00 C ATOM 1291 CG2 ILE A 83 -1.076 -1.912 1.858 1.00 0.00 C ATOM 1292 CD1 ILE A 83 1.697 -1.224 1.077 1.00 0.00 C ATOM 0 H ILE A 83 -0.227 -3.362 5.067 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.105 -0.421 4.417 1.00 0.00 H new ATOM 0 HB ILE A 83 0.563 -2.830 2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.489 0.190 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.787 -0.516 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.709 -2.194 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.801 -2.650 2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.554 -0.934 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.382 -0.462 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.251 -2.140 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.933 -1.423 0.326 1.00 0.00 H new ATOM 1304 N SER A 84 -2.494 -0.480 4.725 1.00 0.00 N ATOM 1305 CA SER A 84 -3.955 -0.281 5.057 1.00 0.00 C ATOM 1306 C SER A 84 -4.562 0.700 4.047 1.00 0.00 C ATOM 1307 O SER A 84 -4.338 1.864 4.126 1.00 0.00 O ATOM 1308 CB SER A 84 -4.122 0.188 6.491 1.00 0.00 C ATOM 1309 OG SER A 84 -4.504 1.545 6.602 1.00 0.00 O ATOM 0 H SER A 84 -1.956 0.384 4.796 1.00 0.00 H new ATOM 0 HA SER A 84 -4.489 -1.228 4.980 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.871 -0.433 6.983 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.184 0.039 7.025 1.00 0.00 H new ATOM 0 HG SER A 84 -4.027 2.075 5.930 1.00 0.00 H new ATOM 1315 N PHE A 85 -5.289 0.169 3.136 1.00 0.00 N ATOM 1316 CA PHE A 85 -5.977 1.000 2.087 1.00 0.00 C ATOM 1317 C PHE A 85 -6.577 2.277 2.633 1.00 0.00 C ATOM 1318 O PHE A 85 -6.833 2.482 3.808 1.00 0.00 O ATOM 1319 CB PHE A 85 -7.149 0.205 1.468 1.00 0.00 C ATOM 1320 CG PHE A 85 -6.777 -1.189 1.088 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -6.199 -1.453 -0.173 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -7.025 -2.217 2.023 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -5.875 -2.777 -0.489 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -6.697 -3.539 1.708 1.00 0.00 C ATOM 1325 CZ PHE A 85 -6.123 -3.805 0.442 1.00 0.00 C ATOM 0 H PHE A 85 -5.454 -0.834 3.053 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.204 1.246 1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.974 0.173 2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.510 0.731 0.585 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.012 -0.654 -0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.467 -1.983 2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.435 -3.011 -1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.877 -4.337 2.413 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.869 -4.822 0.183 1.00 0.00 H new ATOM 1335 N ALA A 86 -6.830 3.216 1.783 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.376 4.534 2.127 1.00 0.00 C ATOM 1337 C ALA A 86 -8.721 4.479 2.835 1.00 0.00 C ATOM 1338 O ALA A 86 -8.854 5.154 3.844 1.00 0.00 O ATOM 1339 CB ALA A 86 -7.577 5.335 0.822 1.00 0.00 C ATOM 0 H ALA A 86 -6.663 3.105 0.783 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.662 4.996 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.983 6.319 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.619 5.450 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.271 4.803 0.172 1.00 0.00 H new ATOM 1345 N LYS A 87 -9.624 3.715 2.305 1.00 0.00 N ATOM 1346 CA LYS A 87 -10.998 3.514 2.832 1.00 0.00 C ATOM 1347 C LYS A 87 -10.920 3.475 4.360 1.00 0.00 C ATOM 1348 O LYS A 87 -11.528 4.308 4.986 1.00 0.00 O ATOM 1349 CB LYS A 87 -11.535 2.184 2.312 1.00 0.00 C ATOM 1350 CG LYS A 87 -12.826 1.779 3.033 1.00 0.00 C ATOM 1351 CD LYS A 87 -12.887 0.240 2.971 1.00 0.00 C ATOM 1352 CE LYS A 87 -11.787 -0.347 3.866 1.00 0.00 C ATOM 1353 NZ LYS A 87 -12.348 -1.360 4.823 1.00 0.00 N ATOM 0 H LYS A 87 -9.447 3.178 1.456 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.658 4.320 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.724 2.260 1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.782 1.408 2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.821 2.127 4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.697 2.223 2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.865 -0.110 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.756 -0.100 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.021 -0.813 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.302 0.454 4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.582 -1.740 5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.062 -0.907 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.789 -2.135 4.289 1.00 0.00 H new ATOM 1367 N LYS A 88 -10.188 2.539 4.888 1.00 0.00 N ATOM 1368 CA LYS A 88 -10.017 2.390 6.357 1.00 0.00 C ATOM 1369 C LYS A 88 -9.111 1.192 6.673 1.00 0.00 C ATOM 1370 O LYS A 88 -9.457 0.067 6.317 1.00 0.00 O ATOM 1371 CB LYS A 88 -11.389 2.114 6.988 1.00 0.00 C ATOM 1372 CG LYS A 88 -11.503 2.945 8.265 1.00 0.00 C ATOM 1373 CD LYS A 88 -11.827 4.383 7.813 1.00 0.00 C ATOM 1374 CE LYS A 88 -12.496 5.153 8.947 1.00 0.00 C ATOM 1375 NZ LYS A 88 -11.764 5.008 10.224 1.00 0.00 N ATOM 1376 OXT LYS A 88 -8.073 1.418 7.272 1.00 0.00 O ATOM 0 H LYS A 88 -9.682 1.844 4.339 1.00 0.00 H new ATOM 0 HA LYS A 88 -9.572 3.304 6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -12.187 2.375 6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.497 1.053 7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -12.286 2.555 8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.573 2.915 8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.912 4.891 7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.483 4.359 6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.557 6.209 8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.518 4.797 9.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -12.091 5.732 10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.941 4.063 10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.745 5.127 10.055 1.00 0.00 H new TER 1390 LYS A 88