USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=14 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 76 THR OG1 : rot -160:sc= -1.81 USER MOD Set 1.2: A 79 ASN : amide:sc= -1.54 K(o=-3.4,f=-1.9) USER MOD Set 2.1: A 59 ASN : amide:sc= -1.25 K(o=-8.1,f=-16!) USER MOD Set 2.2: A 62 GLN : amide:sc= -6.89! C(o=-8.1!,f=-15!) USER MOD Single : A 1 MET CE :methyl -157:sc= -0.413 (180deg=-2.23!) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.129 (180deg=-0.741) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.209 USER MOD Single : A 10 ASN : amide:sc= -0.236 K(o=-0.24,f=-1.3) USER MOD Single : A 13 ASN : amide:sc= -1.59 K(o=-1.6,f=-0.38) USER MOD Single : A 14 HIS : no HD1:sc= -2.45 X(o=-2.5,f=-2.8!) USER MOD Single : A 19 THR OG1 : rot 126:sc= 0.751 USER MOD Single : A 20 ASN : amide:sc= -1.41 K(o=-1.4,f=-0.076) USER MOD Single : A 25 THR OG1 : rot 178:sc= 0.873 USER MOD Single : A 26 ASN : amide:sc= -5.68! C(o=-5.7!,f=-23!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 57:sc= 0.248 USER MOD Single : A 32 MET CE :methyl -158:sc= -0.176 (180deg=-1.3!) USER MOD Single : A 35 ASN : amide:sc= -1.85 K(o=-1.8,f=-0.69) USER MOD Single : A 36 GLN : amide:sc= -0.0463 K(o=-0.046,f=-1.8!) USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= -0.405 (180deg=-1.72!) USER MOD Single : A 50 HIS : no HE2:sc= -1.62! C(o=-1.6!,f=-10!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0.46) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.799 K(o=-0.8,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 81 MET CE :methyl -141:sc= -0.712 (180deg=-3.22!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.343 USER MOD Single : A 87 LYS NZ :NH3+ 168:sc= -0.135 (180deg=-0.304) USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0401) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.695 11.391 0.001 1.00 0.00 N ATOM 2 CA MET A 1 -24.477 12.224 -1.225 1.00 0.00 C ATOM 3 C MET A 1 -25.628 11.901 -2.180 1.00 0.00 C ATOM 4 O MET A 1 -26.656 11.452 -1.738 1.00 0.00 O ATOM 5 CB MET A 1 -23.119 11.874 -1.817 1.00 0.00 C ATOM 6 CG MET A 1 -23.047 10.400 -2.183 1.00 0.00 C ATOM 7 SD MET A 1 -21.367 9.978 -2.720 1.00 0.00 S ATOM 8 CE MET A 1 -21.193 11.300 -3.927 1.00 0.00 C ATOM 0 H1 MET A 1 -23.781 11.037 0.347 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.144 11.970 0.739 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.312 10.587 -0.231 1.00 0.00 H new ATOM 0 HA MET A 1 -24.471 13.294 -1.016 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.937 12.482 -2.703 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.333 12.113 -1.100 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.328 9.789 -1.325 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.759 10.179 -2.978 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.438 11.024 -4.663 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.147 11.462 -4.429 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.889 12.217 -3.421 1.00 0.00 H new ATOM 20 N ALA A 2 -25.452 12.128 -3.454 1.00 0.00 N ATOM 21 CA ALA A 2 -26.543 11.831 -4.427 1.00 0.00 C ATOM 22 C ALA A 2 -25.928 11.434 -5.770 1.00 0.00 C ATOM 23 O ALA A 2 -24.996 12.101 -6.208 1.00 0.00 O ATOM 24 CB ALA A 2 -27.422 13.085 -4.580 1.00 0.00 C ATOM 0 H ALA A 2 -24.598 12.507 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 2 -27.159 11.005 -4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -28.225 12.882 -5.289 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -27.850 13.349 -3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -26.815 13.913 -4.946 1.00 0.00 H new ATOM 30 N PRO A 3 -26.417 10.401 -6.398 1.00 0.00 N ATOM 31 CA PRO A 3 -27.541 9.580 -5.889 1.00 0.00 C ATOM 32 C PRO A 3 -26.981 8.652 -4.796 1.00 0.00 C ATOM 33 O PRO A 3 -25.974 8.998 -4.207 1.00 0.00 O ATOM 34 CB PRO A 3 -28.097 8.763 -7.046 1.00 0.00 C ATOM 35 CG PRO A 3 -27.233 9.203 -8.252 1.00 0.00 C ATOM 36 CD PRO A 3 -25.956 9.866 -7.703 1.00 0.00 C ATOM 0 HA PRO A 3 -28.338 10.197 -5.474 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -28.009 7.693 -6.859 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -29.154 8.972 -7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -26.980 8.344 -8.874 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -27.785 9.901 -8.882 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -25.143 9.149 -7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -25.592 10.655 -8.361 1.00 0.00 H new ATOM 44 N ALA A 4 -27.628 7.543 -4.569 1.00 0.00 N ATOM 45 CA ALA A 4 -27.083 6.641 -3.506 1.00 0.00 C ATOM 46 C ALA A 4 -26.073 5.669 -4.151 1.00 0.00 C ATOM 47 O ALA A 4 -26.340 5.221 -5.248 1.00 0.00 O ATOM 48 CB ALA A 4 -28.222 5.895 -2.823 1.00 0.00 C ATOM 0 H ALA A 4 -28.473 7.228 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 4 -26.569 7.223 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -27.817 5.241 -2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -28.906 6.612 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -28.759 5.298 -3.560 1.00 0.00 H new ATOM 54 N GLN A 5 -24.988 5.376 -3.491 1.00 0.00 N ATOM 55 CA GLN A 5 -24.020 4.449 -4.102 1.00 0.00 C ATOM 56 C GLN A 5 -23.529 3.495 -3.018 1.00 0.00 C ATOM 57 O GLN A 5 -22.874 3.953 -2.103 1.00 0.00 O ATOM 58 CB GLN A 5 -22.821 5.277 -4.604 1.00 0.00 C ATOM 59 CG GLN A 5 -22.425 4.777 -6.006 1.00 0.00 C ATOM 60 CD GLN A 5 -22.089 5.992 -6.864 1.00 0.00 C ATOM 61 OE1 GLN A 5 -21.208 6.749 -6.483 1.00 0.00 O ATOM 62 NE2 GLN A 5 -22.736 6.197 -7.964 1.00 0.00 N ATOM 0 H GLN A 5 -24.739 5.736 -2.570 1.00 0.00 H new ATOM 0 HA GLN A 5 -24.474 3.894 -4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -23.081 6.335 -4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -21.980 5.179 -3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -21.568 4.107 -5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -23.241 4.210 -6.453 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -23.466 5.547 -8.255 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -22.517 7.009 -8.541 1.00 0.00 H new ATOM 71 N PRO A 6 -23.824 2.226 -3.105 1.00 0.00 N ATOM 72 CA PRO A 6 -23.400 1.215 -2.119 1.00 0.00 C ATOM 73 C PRO A 6 -21.868 1.233 -2.038 1.00 0.00 C ATOM 74 O PRO A 6 -21.180 1.137 -3.027 1.00 0.00 O ATOM 75 CB PRO A 6 -23.860 -0.120 -2.709 1.00 0.00 C ATOM 76 CG PRO A 6 -24.419 0.111 -4.133 1.00 0.00 C ATOM 77 CD PRO A 6 -24.619 1.632 -4.201 1.00 0.00 C ATOM 0 HA PRO A 6 -23.808 1.389 -1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.026 -0.821 -2.743 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -24.626 -0.566 -2.074 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -23.724 -0.236 -4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -25.356 -0.424 -4.287 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -24.294 2.020 -5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -25.673 1.887 -4.094 1.00 0.00 H new ATOM 85 N LEU A 7 -21.342 1.355 -0.855 1.00 0.00 N ATOM 86 CA LEU A 7 -19.876 1.388 -0.607 1.00 0.00 C ATOM 87 C LEU A 7 -19.520 0.383 0.499 1.00 0.00 C ATOM 88 O LEU A 7 -18.531 -0.309 0.364 1.00 0.00 O ATOM 89 CB LEU A 7 -19.400 2.770 -0.168 1.00 0.00 C ATOM 90 CG LEU A 7 -20.314 3.410 0.881 1.00 0.00 C ATOM 91 CD1 LEU A 7 -19.751 3.105 2.268 1.00 0.00 C ATOM 92 CD2 LEU A 7 -20.397 4.924 0.748 1.00 0.00 C ATOM 0 H LEU A 7 -21.900 1.438 -0.005 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.383 1.132 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -18.391 2.690 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -19.343 3.423 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 7 -21.312 2.997 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -20.391 3.554 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -19.714 2.026 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.745 3.517 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -21.059 5.321 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.403 5.355 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -20.789 5.182 -0.236 1.00 0.00 H new ATOM 104 N SER A 8 -20.326 0.354 1.517 1.00 0.00 N ATOM 105 CA SER A 8 -20.137 -0.559 2.683 1.00 0.00 C ATOM 106 C SER A 8 -18.946 -0.180 3.552 1.00 0.00 C ATOM 107 O SER A 8 -17.885 0.240 3.135 1.00 0.00 O ATOM 108 CB SER A 8 -19.876 -1.990 2.165 1.00 0.00 C ATOM 109 OG SER A 8 -20.637 -2.230 0.999 1.00 0.00 O ATOM 0 H SER A 8 -21.148 0.953 1.595 1.00 0.00 H new ATOM 0 HA SER A 8 -21.044 -0.486 3.283 1.00 0.00 H new ATOM 0 HB2 SER A 8 -18.815 -2.119 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.136 -2.717 2.935 1.00 0.00 H new ATOM 0 HG SER A 8 -20.464 -3.139 0.677 1.00 0.00 H new ATOM 115 N GLU A 9 -19.096 -0.326 4.840 1.00 0.00 N ATOM 116 CA GLU A 9 -17.957 0.026 5.760 1.00 0.00 C ATOM 117 C GLU A 9 -16.932 -1.114 5.558 1.00 0.00 C ATOM 118 O GLU A 9 -17.305 -2.241 5.823 1.00 0.00 O ATOM 119 CB GLU A 9 -18.426 0.097 7.200 1.00 0.00 C ATOM 120 CG GLU A 9 -17.803 1.321 7.901 1.00 0.00 C ATOM 121 CD GLU A 9 -18.748 2.508 7.733 1.00 0.00 C ATOM 122 OE1 GLU A 9 -18.640 3.180 6.734 1.00 0.00 O ATOM 123 OE2 GLU A 9 -19.561 2.708 8.619 1.00 0.00 O ATOM 0 H GLU A 9 -19.941 -0.668 5.298 1.00 0.00 H new ATOM 0 HA GLU A 9 -17.530 1.005 5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.513 0.164 7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -18.146 -0.815 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.643 1.111 8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.828 1.549 7.470 1.00 0.00 H new ATOM 130 N ASN A 10 -15.761 -0.790 5.119 1.00 0.00 N ATOM 131 CA ASN A 10 -14.648 -1.731 4.859 1.00 0.00 C ATOM 132 C ASN A 10 -14.777 -2.215 3.412 1.00 0.00 C ATOM 133 O ASN A 10 -15.387 -3.240 3.136 1.00 0.00 O ATOM 134 CB ASN A 10 -14.653 -2.922 5.830 1.00 0.00 C ATOM 135 CG ASN A 10 -13.294 -3.584 5.946 1.00 0.00 C ATOM 136 OD1 ASN A 10 -13.217 -4.775 5.655 1.00 0.00 O ATOM 137 ND2 ASN A 10 -12.243 -2.919 6.341 1.00 0.00 N ATOM 0 H ASN A 10 -15.511 0.177 4.912 1.00 0.00 H new ATOM 0 HA ASN A 10 -13.700 -1.216 5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.973 -2.582 6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.384 -3.657 5.494 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.340 -3.388 6.412 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -12.325 -1.930 6.579 1.00 0.00 H new ATOM 144 N PRO A 11 -14.212 -1.498 2.461 1.00 0.00 N ATOM 145 CA PRO A 11 -14.311 -1.931 1.043 1.00 0.00 C ATOM 146 C PRO A 11 -13.377 -3.126 0.835 1.00 0.00 C ATOM 147 O PRO A 11 -12.977 -3.720 1.823 1.00 0.00 O ATOM 148 CB PRO A 11 -13.723 -0.638 0.442 1.00 0.00 C ATOM 149 CG PRO A 11 -13.800 0.515 1.466 1.00 0.00 C ATOM 150 CD PRO A 11 -13.475 -0.263 2.773 1.00 0.00 C ATOM 0 HA PRO A 11 -15.277 -2.250 0.652 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.686 -0.804 0.149 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -14.270 -0.368 -0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.077 1.304 1.260 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.784 0.983 1.493 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.407 -0.429 2.916 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.842 0.237 3.669 1.00 0.00 H new ATOM 158 N PRO A 12 -13.084 -3.415 -0.396 1.00 0.00 N ATOM 159 CA PRO A 12 -12.199 -4.520 -0.832 1.00 0.00 C ATOM 160 C PRO A 12 -10.756 -4.056 -0.524 1.00 0.00 C ATOM 161 O PRO A 12 -10.609 -3.301 0.428 1.00 0.00 O ATOM 162 CB PRO A 12 -12.382 -4.596 -2.335 1.00 0.00 C ATOM 163 CG PRO A 12 -13.546 -3.642 -2.749 1.00 0.00 C ATOM 164 CD PRO A 12 -13.594 -2.671 -1.574 1.00 0.00 C ATOM 0 HA PRO A 12 -12.405 -5.477 -0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.461 -4.310 -2.842 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.607 -5.619 -2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.341 -3.133 -3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.487 -4.177 -2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.982 -1.791 -1.772 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.611 -2.320 -1.401 1.00 0.00 H new ATOM 172 N ASN A 13 -9.781 -4.477 -1.278 1.00 0.00 N ATOM 173 CA ASN A 13 -8.394 -3.992 -0.945 1.00 0.00 C ATOM 174 C ASN A 13 -8.034 -2.755 -1.768 1.00 0.00 C ATOM 175 O ASN A 13 -8.684 -1.739 -1.606 1.00 0.00 O ATOM 176 CB ASN A 13 -7.353 -5.109 -1.049 1.00 0.00 C ATOM 177 CG ASN A 13 -7.900 -6.389 -0.373 1.00 0.00 C ATOM 178 OD1 ASN A 13 -8.059 -7.369 -1.079 1.00 0.00 O ATOM 179 ND2 ASN A 13 -8.169 -6.389 0.905 1.00 0.00 N ATOM 0 H ASN A 13 -9.864 -5.106 -2.076 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.388 -3.685 0.101 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.121 -5.308 -2.095 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.424 -4.800 -0.570 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.528 -7.233 1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.020 -5.545 1.457 1.00 0.00 H new ATOM 186 N HIS A 14 -7.056 -2.776 -2.609 1.00 0.00 N ATOM 187 CA HIS A 14 -6.644 -1.577 -3.432 1.00 0.00 C ATOM 188 C HIS A 14 -6.132 -0.511 -2.437 1.00 0.00 C ATOM 189 O HIS A 14 -5.932 0.644 -2.712 1.00 0.00 O ATOM 190 CB HIS A 14 -7.816 -1.096 -4.269 1.00 0.00 C ATOM 191 CG HIS A 14 -8.390 0.219 -3.827 1.00 0.00 C ATOM 192 ND1 HIS A 14 -7.929 1.472 -4.154 1.00 0.00 N ATOM 193 CD2 HIS A 14 -9.487 0.494 -3.024 1.00 0.00 C ATOM 194 CE1 HIS A 14 -8.721 2.389 -3.566 1.00 0.00 C ATOM 195 NE2 HIS A 14 -9.707 1.860 -2.849 1.00 0.00 N ATOM 0 H HIS A 14 -6.487 -3.605 -2.781 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.851 -1.814 -4.141 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -7.495 -1.009 -5.307 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.602 -1.851 -4.241 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.107 -0.271 -2.580 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.569 3.453 -3.668 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -10.435 2.330 -2.311 1.00 0.00 H new ATOM 204 N ILE A 15 -5.917 -0.967 -1.219 1.00 0.00 N ATOM 205 CA ILE A 15 -5.422 -0.029 -0.174 1.00 0.00 C ATOM 206 C ILE A 15 -4.636 -0.889 0.845 1.00 0.00 C ATOM 207 O ILE A 15 -5.229 -1.544 1.652 1.00 0.00 O ATOM 208 CB ILE A 15 -6.503 0.789 0.549 1.00 0.00 C ATOM 209 CG1 ILE A 15 -6.730 2.070 -0.286 1.00 0.00 C ATOM 210 CG2 ILE A 15 -6.005 1.252 1.907 1.00 0.00 C ATOM 211 CD1 ILE A 15 -7.529 3.114 0.463 1.00 0.00 C ATOM 0 H ILE A 15 -6.062 -1.930 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.811 0.726 -0.668 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.399 0.180 0.667 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.765 2.490 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.250 1.812 -1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.785 1.830 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.752 0.385 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.120 1.875 1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.660 3.993 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.505 2.706 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.998 3.396 1.372 1.00 0.00 H new ATOM 223 N LEU A 16 -3.322 -0.807 0.771 1.00 0.00 N ATOM 224 CA LEU A 16 -2.435 -1.530 1.729 1.00 0.00 C ATOM 225 C LEU A 16 -1.624 -0.489 2.554 1.00 0.00 C ATOM 226 O LEU A 16 -0.768 0.233 2.087 1.00 0.00 O ATOM 227 CB LEU A 16 -1.506 -2.435 0.946 1.00 0.00 C ATOM 228 CG LEU A 16 -2.312 -3.107 -0.186 1.00 0.00 C ATOM 229 CD1 LEU A 16 -1.903 -2.597 -1.554 1.00 0.00 C ATOM 230 CD2 LEU A 16 -2.071 -4.624 -0.186 1.00 0.00 C ATOM 0 H LEU A 16 -2.825 -0.257 0.071 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.025 -2.137 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.678 -1.860 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.072 -3.190 1.601 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.359 -2.869 0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.495 -3.097 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.073 -1.522 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.846 -2.806 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.646 -5.084 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.010 -4.824 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.385 -5.042 0.770 1.00 0.00 H new ATOM 242 N PHE A 17 -2.022 -0.460 3.834 1.00 0.00 N ATOM 243 CA PHE A 17 -1.558 0.462 4.858 1.00 0.00 C ATOM 244 C PHE A 17 -0.878 -0.404 5.940 1.00 0.00 C ATOM 245 O PHE A 17 -1.460 -1.369 6.304 1.00 0.00 O ATOM 246 CB PHE A 17 -2.653 1.317 5.411 1.00 0.00 C ATOM 247 CG PHE A 17 -2.286 1.572 6.881 1.00 0.00 C ATOM 248 CD1 PHE A 17 -1.119 2.266 7.187 1.00 0.00 C ATOM 249 CD2 PHE A 17 -3.080 1.137 7.943 1.00 0.00 C ATOM 250 CE1 PHE A 17 -0.751 2.522 8.518 1.00 0.00 C ATOM 251 CE2 PHE A 17 -2.731 1.383 9.273 1.00 0.00 C ATOM 252 CZ PHE A 17 -1.560 2.080 9.566 1.00 0.00 C ATOM 0 H PHE A 17 -2.714 -1.118 4.193 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.855 1.180 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.733 2.254 4.860 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.618 0.817 5.330 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.484 2.614 6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.990 0.595 7.731 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.160 3.062 8.731 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.367 1.034 10.073 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.282 2.276 10.591 1.00 0.00 H new ATOM 262 N LEU A 18 0.290 0.001 6.252 1.00 0.00 N ATOM 263 CA LEU A 18 1.049 -0.666 7.277 1.00 0.00 C ATOM 264 C LEU A 18 2.428 -0.070 7.186 1.00 0.00 C ATOM 265 O LEU A 18 2.657 0.860 6.442 1.00 0.00 O ATOM 266 CB LEU A 18 0.910 -2.144 7.490 1.00 0.00 C ATOM 267 CG LEU A 18 -0.340 -2.521 8.331 1.00 0.00 C ATOM 268 CD1 LEU A 18 0.042 -3.503 9.460 1.00 0.00 C ATOM 269 CD2 LEU A 18 -0.981 -1.338 9.012 1.00 0.00 C ATOM 0 H LEU A 18 0.760 0.796 5.819 1.00 0.00 H new ATOM 0 HA LEU A 18 0.593 -0.472 8.248 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.853 -2.641 6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.803 -2.519 7.989 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.039 -2.957 7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.847 -3.756 10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.463 -4.410 9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.780 -3.037 10.113 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.848 -1.672 9.582 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.262 -0.872 9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.297 -0.614 8.261 1.00 0.00 H new ATOM 281 N THR A 19 3.242 -0.525 7.992 1.00 0.00 N ATOM 282 CA THR A 19 4.566 0.007 8.123 1.00 0.00 C ATOM 283 C THR A 19 5.483 -1.187 8.313 1.00 0.00 C ATOM 284 O THR A 19 5.117 -2.355 8.299 1.00 0.00 O ATOM 285 CB THR A 19 4.608 0.786 9.466 1.00 0.00 C ATOM 286 OG1 THR A 19 5.475 0.186 10.397 1.00 0.00 O ATOM 287 CG2 THR A 19 3.189 0.786 10.081 1.00 0.00 C ATOM 0 H THR A 19 3.041 -1.304 8.620 1.00 0.00 H new ATOM 0 HA THR A 19 4.843 0.629 7.272 1.00 0.00 H new ATOM 0 HB THR A 19 4.964 1.794 9.254 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.126 0.848 10.712 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.202 1.330 11.026 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.495 1.269 9.394 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.869 -0.241 10.258 1.00 0.00 H new ATOM 295 N ASN A 20 6.648 -0.858 8.440 1.00 0.00 N ATOM 296 CA ASN A 20 7.813 -1.788 8.682 1.00 0.00 C ATOM 297 C ASN A 20 8.805 -1.715 7.518 1.00 0.00 C ATOM 298 O ASN A 20 9.486 -2.629 7.131 1.00 0.00 O ATOM 299 CB ASN A 20 7.404 -3.195 9.057 1.00 0.00 C ATOM 300 CG ASN A 20 8.565 -3.956 9.739 1.00 0.00 C ATOM 301 OD1 ASN A 20 8.711 -3.965 10.950 1.00 0.00 O ATOM 302 ND2 ASN A 20 9.429 -4.615 9.026 1.00 0.00 N ATOM 0 H ASN A 20 6.937 0.119 8.390 1.00 0.00 H new ATOM 0 HA ASN A 20 8.334 -1.435 9.572 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.546 -3.160 9.728 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.088 -3.734 8.164 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.193 -5.114 9.483 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.344 -4.633 8.010 1.00 0.00 H new ATOM 309 N LEU A 21 8.926 -0.549 6.922 1.00 0.00 N ATOM 310 CA LEU A 21 9.875 -0.342 5.787 1.00 0.00 C ATOM 311 C LEU A 21 11.190 0.152 6.412 1.00 0.00 C ATOM 312 O LEU A 21 11.158 0.573 7.561 1.00 0.00 O ATOM 313 CB LEU A 21 9.264 0.751 4.910 1.00 0.00 C ATOM 314 CG LEU A 21 8.098 0.267 4.073 1.00 0.00 C ATOM 315 CD1 LEU A 21 7.387 -0.950 4.678 1.00 0.00 C ATOM 316 CD2 LEU A 21 7.016 1.357 3.928 1.00 0.00 C ATOM 0 H LEU A 21 8.394 0.281 7.183 1.00 0.00 H new ATOM 0 HA LEU A 21 10.055 -1.239 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.930 1.572 5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.034 1.151 4.250 1.00 0.00 H new ATOM 0 HG LEU A 21 8.543 0.005 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.562 -1.248 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.093 -1.776 4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.001 -0.693 5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.194 0.976 3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.642 1.632 4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.446 2.235 3.445 1.00 0.00 H new ATOM 328 N PRO A 22 12.231 0.071 5.642 1.00 0.00 N ATOM 329 CA PRO A 22 13.592 0.471 5.982 1.00 0.00 C ATOM 330 C PRO A 22 13.678 1.910 6.526 1.00 0.00 C ATOM 331 O PRO A 22 12.700 2.577 6.749 1.00 0.00 O ATOM 332 CB PRO A 22 14.439 0.276 4.711 1.00 0.00 C ATOM 333 CG PRO A 22 13.597 -0.594 3.753 1.00 0.00 C ATOM 334 CD PRO A 22 12.148 -0.464 4.261 1.00 0.00 C ATOM 0 HA PRO A 22 13.970 -0.145 6.798 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.679 1.236 4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.386 -0.211 4.946 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.686 -0.247 2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.929 -1.632 3.769 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.571 0.203 3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.645 -1.431 4.249 1.00 0.00 H new ATOM 342 N GLU A 23 14.855 2.435 6.760 1.00 0.00 N ATOM 343 CA GLU A 23 14.969 3.827 7.294 1.00 0.00 C ATOM 344 C GLU A 23 15.351 4.824 6.215 1.00 0.00 C ATOM 345 O GLU A 23 15.115 6.013 6.337 1.00 0.00 O ATOM 346 CB GLU A 23 16.026 3.825 8.402 1.00 0.00 C ATOM 347 CG GLU A 23 17.287 3.173 7.828 1.00 0.00 C ATOM 348 CD GLU A 23 18.549 3.900 8.257 1.00 0.00 C ATOM 349 OE1 GLU A 23 18.582 5.095 8.050 1.00 0.00 O ATOM 350 OE2 GLU A 23 19.430 3.237 8.766 1.00 0.00 O ATOM 0 H GLU A 23 15.743 1.959 6.604 1.00 0.00 H new ATOM 0 HA GLU A 23 13.998 4.136 7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.236 4.842 8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.670 3.273 9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.338 2.134 8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.227 3.163 6.740 1.00 0.00 H new ATOM 357 N GLU A 24 15.947 4.363 5.138 1.00 0.00 N ATOM 358 CA GLU A 24 16.330 5.332 4.058 1.00 0.00 C ATOM 359 C GLU A 24 15.203 5.399 3.041 1.00 0.00 C ATOM 360 O GLU A 24 15.316 5.942 1.960 1.00 0.00 O ATOM 361 CB GLU A 24 17.628 4.910 3.364 1.00 0.00 C ATOM 362 CG GLU A 24 18.827 5.565 4.069 1.00 0.00 C ATOM 363 CD GLU A 24 19.984 5.635 3.076 1.00 0.00 C ATOM 364 OE1 GLU A 24 19.752 5.958 1.935 1.00 0.00 O ATOM 365 OE2 GLU A 24 21.128 5.370 3.446 1.00 0.00 O ATOM 0 H GLU A 24 16.180 3.386 4.962 1.00 0.00 H new ATOM 0 HA GLU A 24 16.496 6.311 4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.728 3.825 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 24 17.604 5.206 2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.564 6.564 4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.114 4.987 4.947 1.00 0.00 H new ATOM 372 N THR A 25 14.085 4.833 3.401 1.00 0.00 N ATOM 373 CA THR A 25 12.871 4.798 2.550 1.00 0.00 C ATOM 374 C THR A 25 12.535 6.183 1.962 1.00 0.00 C ATOM 375 O THR A 25 12.555 7.135 2.705 1.00 0.00 O ATOM 376 CB THR A 25 11.684 4.335 3.417 1.00 0.00 C ATOM 377 OG1 THR A 25 12.218 4.006 4.700 1.00 0.00 O ATOM 378 CG2 THR A 25 11.068 3.075 2.829 1.00 0.00 C ATOM 0 H THR A 25 13.963 4.369 4.301 1.00 0.00 H new ATOM 0 HA THR A 25 13.057 4.115 1.721 1.00 0.00 H new ATOM 0 HB THR A 25 10.924 5.115 3.469 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.489 3.741 5.299 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.230 2.756 3.449 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.714 3.280 1.819 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.818 2.284 2.797 1.00 0.00 H new ATOM 386 N ASN A 26 12.249 6.261 0.697 1.00 0.00 N ATOM 387 CA ASN A 26 11.909 7.571 0.037 1.00 0.00 C ATOM 388 C ASN A 26 10.481 7.515 -0.494 1.00 0.00 C ATOM 389 O ASN A 26 9.951 6.517 -0.962 1.00 0.00 O ATOM 390 CB ASN A 26 12.983 7.800 -1.009 1.00 0.00 C ATOM 391 CG ASN A 26 12.482 8.364 -2.319 1.00 0.00 C ATOM 392 OD1 ASN A 26 11.465 8.973 -2.504 1.00 0.00 O ATOM 393 ND2 ASN A 26 13.253 8.168 -3.373 1.00 0.00 N ATOM 0 H ASN A 26 12.233 5.458 0.068 1.00 0.00 H new ATOM 0 HA ASN A 26 11.912 8.425 0.715 1.00 0.00 H new ATOM 0 HB2 ASN A 26 13.730 8.479 -0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 26 13.486 6.853 -1.206 1.00 0.00 H new ATOM 0 HD21 ASN A 26 12.971 8.528 -4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 26 14.130 7.657 -3.275 1.00 0.00 H new ATOM 400 N GLU A 27 9.757 8.620 -0.443 1.00 0.00 N ATOM 401 CA GLU A 27 8.354 8.720 -0.901 1.00 0.00 C ATOM 402 C GLU A 27 8.192 8.475 -2.425 1.00 0.00 C ATOM 403 O GLU A 27 7.279 7.801 -2.823 1.00 0.00 O ATOM 404 CB GLU A 27 7.728 10.081 -0.639 1.00 0.00 C ATOM 405 CG GLU A 27 8.530 10.949 0.306 1.00 0.00 C ATOM 406 CD GLU A 27 7.731 12.178 0.767 1.00 0.00 C ATOM 407 OE1 GLU A 27 6.600 12.341 0.368 1.00 0.00 O ATOM 408 OE2 GLU A 27 8.314 12.936 1.535 1.00 0.00 O ATOM 0 H GLU A 27 10.122 9.499 -0.077 1.00 0.00 H new ATOM 0 HA GLU A 27 7.853 7.944 -0.322 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.610 10.605 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.729 9.938 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.828 10.362 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.446 11.275 -0.188 1.00 0.00 H new ATOM 415 N LEU A 28 9.082 9.031 -3.184 1.00 0.00 N ATOM 416 CA LEU A 28 9.097 8.900 -4.691 1.00 0.00 C ATOM 417 C LEU A 28 9.595 7.475 -5.013 1.00 0.00 C ATOM 418 O LEU A 28 9.383 6.892 -6.042 1.00 0.00 O ATOM 419 CB LEU A 28 10.077 9.916 -5.255 1.00 0.00 C ATOM 420 CG LEU A 28 10.426 9.615 -6.717 1.00 0.00 C ATOM 421 CD1 LEU A 28 9.276 9.926 -7.656 1.00 0.00 C ATOM 422 CD2 LEU A 28 11.608 10.505 -7.114 1.00 0.00 C ATOM 0 H LEU A 28 9.844 9.602 -2.818 1.00 0.00 H new ATOM 0 HA LEU A 28 8.110 9.073 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.648 10.915 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.987 9.915 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 28 10.658 8.553 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.570 9.697 -8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.410 9.322 -7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.020 10.983 -7.580 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.877 10.310 -8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.328 11.553 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.460 10.286 -6.471 1.00 0.00 H new ATOM 434 N MET A 29 10.289 6.915 -4.040 1.00 0.00 N ATOM 435 CA MET A 29 10.830 5.511 -4.196 1.00 0.00 C ATOM 436 C MET A 29 9.611 4.567 -4.112 1.00 0.00 C ATOM 437 O MET A 29 9.276 3.788 -4.989 1.00 0.00 O ATOM 438 CB MET A 29 11.802 5.239 -3.072 1.00 0.00 C ATOM 439 CG MET A 29 12.683 4.033 -3.465 1.00 0.00 C ATOM 440 SD MET A 29 12.653 2.784 -2.178 1.00 0.00 S ATOM 441 CE MET A 29 14.170 1.929 -2.653 1.00 0.00 C ATOM 0 H MET A 29 10.504 7.364 -3.150 1.00 0.00 H new ATOM 0 HA MET A 29 11.357 5.368 -5.139 1.00 0.00 H new ATOM 0 HB2 MET A 29 12.422 6.116 -2.887 1.00 0.00 H new ATOM 0 HB3 MET A 29 11.263 5.029 -2.148 1.00 0.00 H new ATOM 0 HG2 MET A 29 12.327 3.606 -4.402 1.00 0.00 H new ATOM 0 HG3 MET A 29 13.708 4.364 -3.634 1.00 0.00 H new ATOM 0 HE1 MET A 29 14.348 1.098 -1.971 1.00 0.00 H new ATOM 0 HE2 MET A 29 14.070 1.549 -3.670 1.00 0.00 H new ATOM 0 HE3 MET A 29 15.009 2.623 -2.606 1.00 0.00 H new ATOM 451 N LEU A 30 8.929 4.677 -2.998 1.00 0.00 N ATOM 452 CA LEU A 30 7.719 3.874 -2.715 1.00 0.00 C ATOM 453 C LEU A 30 6.639 4.218 -3.759 1.00 0.00 C ATOM 454 O LEU A 30 5.856 3.414 -4.178 1.00 0.00 O ATOM 455 CB LEU A 30 7.164 4.269 -1.352 1.00 0.00 C ATOM 456 CG LEU A 30 7.793 3.391 -0.253 1.00 0.00 C ATOM 457 CD1 LEU A 30 7.236 1.968 -0.315 1.00 0.00 C ATOM 458 CD2 LEU A 30 9.323 3.342 -0.366 1.00 0.00 C ATOM 0 H LEU A 30 9.181 5.321 -2.248 1.00 0.00 H new ATOM 0 HA LEU A 30 7.974 2.815 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.375 5.320 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.080 4.155 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 30 7.534 3.845 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.693 1.364 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.156 1.993 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.462 1.531 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.726 2.713 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.603 2.929 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.727 4.350 -0.271 1.00 0.00 H new ATOM 470 N SER A 31 6.665 5.479 -4.147 1.00 0.00 N ATOM 471 CA SER A 31 5.707 5.993 -5.156 1.00 0.00 C ATOM 472 C SER A 31 6.151 5.431 -6.516 1.00 0.00 C ATOM 473 O SER A 31 5.322 5.218 -7.357 1.00 0.00 O ATOM 474 CB SER A 31 5.698 7.508 -5.264 1.00 0.00 C ATOM 475 OG SER A 31 4.961 7.839 -6.442 1.00 0.00 O ATOM 0 H SER A 31 7.324 6.173 -3.794 1.00 0.00 H new ATOM 0 HA SER A 31 4.705 5.685 -4.859 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.237 7.955 -4.383 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.715 7.896 -5.324 1.00 0.00 H new ATOM 0 HG SER A 31 4.064 7.448 -6.388 1.00 0.00 H new ATOM 481 N MET A 32 7.394 5.190 -6.753 1.00 0.00 N ATOM 482 CA MET A 32 7.757 4.630 -8.092 1.00 0.00 C ATOM 483 C MET A 32 7.475 3.132 -8.095 1.00 0.00 C ATOM 484 O MET A 32 7.142 2.489 -9.088 1.00 0.00 O ATOM 485 CB MET A 32 9.286 4.798 -8.233 1.00 0.00 C ATOM 486 CG MET A 32 9.601 6.004 -9.090 1.00 0.00 C ATOM 487 SD MET A 32 11.300 5.893 -9.746 1.00 0.00 S ATOM 488 CE MET A 32 12.093 5.481 -8.173 1.00 0.00 C ATOM 0 H MET A 32 8.167 5.346 -6.106 1.00 0.00 H new ATOM 0 HA MET A 32 7.200 5.125 -8.887 1.00 0.00 H new ATOM 0 HB2 MET A 32 9.739 4.914 -7.248 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.718 3.902 -8.679 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.890 6.068 -9.914 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.490 6.915 -8.502 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.151 5.738 -8.221 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.619 6.043 -7.368 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.988 4.413 -7.981 1.00 0.00 H new ATOM 498 N LEU A 33 7.600 2.548 -6.916 1.00 0.00 N ATOM 499 CA LEU A 33 7.390 1.073 -6.724 1.00 0.00 C ATOM 500 C LEU A 33 5.874 0.851 -6.841 1.00 0.00 C ATOM 501 O LEU A 33 5.375 -0.094 -7.389 1.00 0.00 O ATOM 502 CB LEU A 33 7.775 0.712 -5.273 1.00 0.00 C ATOM 503 CG LEU A 33 9.198 0.192 -5.139 1.00 0.00 C ATOM 504 CD1 LEU A 33 9.675 0.254 -3.670 1.00 0.00 C ATOM 505 CD2 LEU A 33 9.268 -1.237 -5.647 1.00 0.00 C ATOM 0 H LEU A 33 7.845 3.048 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 33 7.970 0.487 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.657 1.594 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.083 -0.042 -4.898 1.00 0.00 H new ATOM 0 HG LEU A 33 9.855 0.825 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.695 -0.124 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.646 1.286 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.020 -0.357 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.288 -1.608 -5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.597 -1.865 -5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.969 -1.266 -6.695 1.00 0.00 H new ATOM 517 N PHE A 34 5.191 1.819 -6.277 1.00 0.00 N ATOM 518 CA PHE A 34 3.687 1.722 -6.367 1.00 0.00 C ATOM 519 C PHE A 34 3.247 2.207 -7.749 1.00 0.00 C ATOM 520 O PHE A 34 2.213 1.812 -8.245 1.00 0.00 O ATOM 521 CB PHE A 34 3.009 2.447 -5.222 1.00 0.00 C ATOM 522 CG PHE A 34 3.353 1.685 -3.948 1.00 0.00 C ATOM 523 CD1 PHE A 34 3.341 0.288 -3.938 1.00 0.00 C ATOM 524 CD2 PHE A 34 3.685 2.359 -2.780 1.00 0.00 C ATOM 525 CE1 PHE A 34 3.672 -0.376 -2.740 1.00 0.00 C ATOM 526 CE2 PHE A 34 4.010 1.690 -1.589 1.00 0.00 C ATOM 527 CZ PHE A 34 4.004 0.302 -1.575 1.00 0.00 C ATOM 0 H PHE A 34 5.573 2.627 -5.786 1.00 0.00 H new ATOM 0 HA PHE A 34 3.372 0.684 -6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.355 3.479 -5.160 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.930 2.481 -5.372 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.084 -0.269 -4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.694 3.439 -2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.667 -1.456 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.261 2.247 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.253 -0.240 -0.675 1.00 0.00 H new ATOM 537 N ASN A 35 4.066 3.044 -8.314 1.00 0.00 N ATOM 538 CA ASN A 35 3.847 3.632 -9.658 1.00 0.00 C ATOM 539 C ASN A 35 3.908 2.481 -10.687 1.00 0.00 C ATOM 540 O ASN A 35 3.119 2.509 -11.594 1.00 0.00 O ATOM 541 CB ASN A 35 4.907 4.639 -10.060 1.00 0.00 C ATOM 542 CG ASN A 35 4.902 4.819 -11.593 1.00 0.00 C ATOM 543 OD1 ASN A 35 5.937 4.905 -12.208 1.00 0.00 O ATOM 544 ND2 ASN A 35 3.762 4.877 -12.242 1.00 0.00 N ATOM 0 H ASN A 35 4.928 3.360 -7.869 1.00 0.00 H new ATOM 0 HA ASN A 35 2.888 4.149 -9.631 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.717 5.595 -9.572 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.888 4.300 -9.728 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.757 4.994 -13.255 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.881 4.805 -11.733 1.00 0.00 H new ATOM 551 N GLN A 36 4.813 1.571 -10.474 1.00 0.00 N ATOM 552 CA GLN A 36 4.982 0.369 -11.325 1.00 0.00 C ATOM 553 C GLN A 36 3.624 -0.081 -11.926 1.00 0.00 C ATOM 554 O GLN A 36 3.553 -0.543 -13.046 1.00 0.00 O ATOM 555 CB GLN A 36 5.419 -0.774 -10.397 1.00 0.00 C ATOM 556 CG GLN A 36 6.905 -0.665 -10.121 1.00 0.00 C ATOM 557 CD GLN A 36 7.698 -1.436 -11.195 1.00 0.00 C ATOM 558 OE1 GLN A 36 7.158 -1.776 -12.218 1.00 0.00 O ATOM 559 NE2 GLN A 36 8.952 -1.690 -10.946 1.00 0.00 N ATOM 0 H GLN A 36 5.477 1.619 -9.701 1.00 0.00 H new ATOM 0 HA GLN A 36 5.691 0.594 -12.121 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.861 -0.730 -9.462 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.194 -1.736 -10.857 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.207 0.382 -10.116 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.130 -1.066 -9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.370 -1.384 -10.067 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.516 -2.195 -11.630 1.00 0.00 H new ATOM 568 N PHE A 37 2.597 0.089 -11.120 1.00 0.00 N ATOM 569 CA PHE A 37 1.156 -0.263 -11.459 1.00 0.00 C ATOM 570 C PHE A 37 0.354 0.868 -12.106 1.00 0.00 C ATOM 571 O PHE A 37 0.237 1.980 -11.606 1.00 0.00 O ATOM 572 CB PHE A 37 0.524 -0.812 -10.149 1.00 0.00 C ATOM 573 CG PHE A 37 1.403 -2.005 -9.757 1.00 0.00 C ATOM 574 CD1 PHE A 37 1.158 -3.209 -10.465 1.00 0.00 C ATOM 575 CD2 PHE A 37 2.385 -1.920 -8.771 1.00 0.00 C ATOM 576 CE1 PHE A 37 1.957 -4.310 -10.123 1.00 0.00 C ATOM 577 CE2 PHE A 37 3.161 -3.033 -8.458 1.00 0.00 C ATOM 578 CZ PHE A 37 2.953 -4.229 -9.131 1.00 0.00 C ATOM 0 H PHE A 37 2.699 0.480 -10.184 1.00 0.00 H new ATOM 0 HA PHE A 37 1.136 -1.018 -12.245 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.516 -0.053 -9.366 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.510 -1.118 -10.307 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.396 -3.275 -11.228 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.544 -0.988 -8.249 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.804 -5.248 -10.636 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.922 -2.966 -7.694 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.553 -5.095 -8.894 1.00 0.00 H new ATOM 588 N PRO A 38 -0.219 0.581 -13.255 1.00 0.00 N ATOM 589 CA PRO A 38 -1.022 1.472 -14.116 1.00 0.00 C ATOM 590 C PRO A 38 -2.071 2.324 -13.410 1.00 0.00 C ATOM 591 O PRO A 38 -2.359 3.417 -13.884 1.00 0.00 O ATOM 592 CB PRO A 38 -1.804 0.588 -15.114 1.00 0.00 C ATOM 593 CG PRO A 38 -1.578 -0.857 -14.673 1.00 0.00 C ATOM 594 CD PRO A 38 -0.198 -0.709 -13.978 1.00 0.00 C ATOM 0 HA PRO A 38 -0.300 2.157 -14.561 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.865 0.836 -15.105 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.449 0.744 -16.133 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.352 -1.212 -13.993 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.550 -1.551 -15.513 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.022 -1.535 -13.289 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.608 -0.728 -14.711 1.00 0.00 H new ATOM 602 N GLY A 39 -2.657 1.895 -12.327 1.00 0.00 N ATOM 603 CA GLY A 39 -3.692 2.724 -11.667 1.00 0.00 C ATOM 604 C GLY A 39 -3.193 3.444 -10.400 1.00 0.00 C ATOM 605 O GLY A 39 -4.033 4.010 -9.749 1.00 0.00 O ATOM 0 H GLY A 39 -2.460 1.003 -11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.057 3.467 -12.376 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.539 2.091 -11.404 1.00 0.00 H new ATOM 609 N PHE A 40 -1.933 3.371 -10.156 1.00 0.00 N ATOM 610 CA PHE A 40 -1.256 4.002 -8.976 1.00 0.00 C ATOM 611 C PHE A 40 -2.120 5.097 -8.412 1.00 0.00 C ATOM 612 O PHE A 40 -2.253 6.108 -9.071 1.00 0.00 O ATOM 613 CB PHE A 40 0.088 4.537 -9.488 1.00 0.00 C ATOM 614 CG PHE A 40 0.592 5.715 -8.693 1.00 0.00 C ATOM 615 CD1 PHE A 40 1.274 5.542 -7.479 1.00 0.00 C ATOM 616 CD2 PHE A 40 0.373 7.024 -9.185 1.00 0.00 C ATOM 617 CE1 PHE A 40 1.733 6.646 -6.759 1.00 0.00 C ATOM 618 CE2 PHE A 40 0.831 8.120 -8.468 1.00 0.00 C ATOM 619 CZ PHE A 40 1.509 7.924 -7.257 1.00 0.00 C ATOM 0 H PHE A 40 -1.287 2.866 -10.763 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.093 3.290 -8.167 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.828 3.738 -9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.017 4.829 -10.533 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.445 4.546 -7.098 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.151 7.170 -10.118 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.257 6.509 -5.825 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.666 9.120 -8.841 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.863 8.780 -6.702 1.00 0.00 H new ATOM 629 N LYS A 41 -2.715 4.924 -7.266 1.00 0.00 N ATOM 630 CA LYS A 41 -3.590 6.012 -6.780 1.00 0.00 C ATOM 631 C LYS A 41 -2.977 6.924 -5.733 1.00 0.00 C ATOM 632 O LYS A 41 -2.809 8.108 -6.006 1.00 0.00 O ATOM 633 CB LYS A 41 -4.858 5.372 -6.173 1.00 0.00 C ATOM 634 CG LYS A 41 -6.087 6.265 -6.376 1.00 0.00 C ATOM 635 CD LYS A 41 -6.080 7.259 -5.204 1.00 0.00 C ATOM 636 CE LYS A 41 -7.482 7.422 -4.603 1.00 0.00 C ATOM 637 NZ LYS A 41 -8.515 7.369 -5.664 1.00 0.00 N ATOM 0 H LYS A 41 -2.636 4.103 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.791 6.643 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.033 4.400 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.705 5.197 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.038 6.787 -7.332 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.003 5.674 -6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.390 6.912 -4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.714 8.227 -5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.664 6.634 -3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.547 8.371 -4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.351 7.909 -5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.135 7.781 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.785 6.380 -5.836 1.00 0.00 H new ATOM 651 N GLU A 42 -2.659 6.405 -4.577 1.00 0.00 N ATOM 652 CA GLU A 42 -2.075 7.277 -3.536 1.00 0.00 C ATOM 653 C GLU A 42 -0.997 6.459 -2.802 1.00 0.00 C ATOM 654 O GLU A 42 -1.012 5.240 -2.809 1.00 0.00 O ATOM 655 CB GLU A 42 -3.121 7.860 -2.594 1.00 0.00 C ATOM 656 CG GLU A 42 -3.602 9.225 -3.139 1.00 0.00 C ATOM 657 CD GLU A 42 -2.455 10.230 -3.143 1.00 0.00 C ATOM 658 OE1 GLU A 42 -2.137 10.754 -2.078 1.00 0.00 O ATOM 659 OE2 GLU A 42 -1.872 10.507 -4.187 1.00 0.00 O ATOM 0 H GLU A 42 -2.779 5.426 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.622 8.153 -4.000 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.964 7.176 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.699 7.983 -1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.991 9.103 -4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.421 9.601 -2.525 1.00 0.00 H new ATOM 666 N VAL A 43 -0.078 7.166 -2.197 1.00 0.00 N ATOM 667 CA VAL A 43 1.064 6.620 -1.475 1.00 0.00 C ATOM 668 C VAL A 43 1.444 7.634 -0.393 1.00 0.00 C ATOM 669 O VAL A 43 1.681 8.792 -0.654 1.00 0.00 O ATOM 670 CB VAL A 43 2.257 6.295 -2.377 1.00 0.00 C ATOM 671 CG1 VAL A 43 3.360 5.581 -1.595 1.00 0.00 C ATOM 672 CG2 VAL A 43 1.773 5.324 -3.473 1.00 0.00 C ATOM 0 H VAL A 43 -0.098 8.186 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 43 0.781 5.663 -1.036 1.00 0.00 H new ATOM 0 HB VAL A 43 2.648 7.226 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.195 5.362 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.702 6.221 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.970 4.650 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.605 5.075 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.392 4.414 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.980 5.796 -4.053 1.00 0.00 H new ATOM 682 N ARG A 44 1.419 7.110 0.778 1.00 0.00 N ATOM 683 CA ARG A 44 1.634 7.847 2.049 1.00 0.00 C ATOM 684 C ARG A 44 2.911 7.325 2.714 1.00 0.00 C ATOM 685 O ARG A 44 2.839 6.383 3.447 1.00 0.00 O ATOM 686 CB ARG A 44 0.494 7.597 3.057 1.00 0.00 C ATOM 687 CG ARG A 44 0.609 8.710 4.113 1.00 0.00 C ATOM 688 CD ARG A 44 -0.194 9.943 3.710 1.00 0.00 C ATOM 689 NE ARG A 44 -0.393 10.027 2.243 1.00 0.00 N ATOM 690 CZ ARG A 44 -0.888 11.134 1.754 1.00 0.00 C ATOM 691 NH1 ARG A 44 -0.340 12.296 1.992 1.00 0.00 N ATOM 692 NH2 ARG A 44 -1.956 11.125 1.006 1.00 0.00 N ATOM 0 H ARG A 44 1.244 6.116 0.924 1.00 0.00 H new ATOM 0 HA ARG A 44 1.687 8.908 1.803 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.477 7.627 2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.588 6.613 3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.253 8.340 5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.656 8.983 4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.164 9.921 4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.321 10.839 4.057 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.151 9.245 1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.496 12.356 2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.748 13.143 1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.422 10.243 0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.326 12.000 0.635 1.00 0.00 H new ATOM 706 N LEU A 45 3.957 8.013 2.405 1.00 0.00 N ATOM 707 CA LEU A 45 5.311 7.795 2.967 1.00 0.00 C ATOM 708 C LEU A 45 5.867 9.190 3.331 1.00 0.00 C ATOM 709 O LEU A 45 6.472 9.850 2.523 1.00 0.00 O ATOM 710 CB LEU A 45 6.291 7.225 1.925 1.00 0.00 C ATOM 711 CG LEU A 45 7.607 6.783 2.604 1.00 0.00 C ATOM 712 CD1 LEU A 45 7.228 5.735 3.643 1.00 0.00 C ATOM 713 CD2 LEU A 45 8.598 6.208 1.586 1.00 0.00 C ATOM 0 H LEU A 45 3.926 8.779 1.732 1.00 0.00 H new ATOM 0 HA LEU A 45 5.227 7.102 3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.835 6.376 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.502 7.978 1.165 1.00 0.00 H new ATOM 0 HG LEU A 45 8.105 7.635 3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.126 5.388 4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.544 6.174 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.743 4.893 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.512 5.907 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.155 5.341 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.833 6.966 0.839 1.00 0.00 H new ATOM 725 N VAL A 46 5.611 9.607 4.531 1.00 0.00 N ATOM 726 CA VAL A 46 6.049 10.976 4.905 1.00 0.00 C ATOM 727 C VAL A 46 7.207 10.852 5.887 1.00 0.00 C ATOM 728 O VAL A 46 6.979 10.304 6.950 1.00 0.00 O ATOM 729 CB VAL A 46 4.848 11.720 5.571 1.00 0.00 C ATOM 730 CG1 VAL A 46 4.262 10.932 6.753 1.00 0.00 C ATOM 731 CG2 VAL A 46 5.339 13.094 6.004 1.00 0.00 C ATOM 0 H VAL A 46 5.129 9.076 5.257 1.00 0.00 H new ATOM 0 HA VAL A 46 6.373 11.539 4.030 1.00 0.00 H new ATOM 0 HB VAL A 46 4.034 11.819 4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.430 11.488 7.184 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.908 9.962 6.404 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.032 10.786 7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.522 13.641 6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.157 12.981 6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.691 13.646 5.132 1.00 0.00 H new ATOM 741 N PRO A 47 8.319 11.349 5.454 1.00 0.00 N ATOM 742 CA PRO A 47 9.524 11.320 6.307 1.00 0.00 C ATOM 743 C PRO A 47 9.154 11.689 7.762 1.00 0.00 C ATOM 744 O PRO A 47 8.177 12.310 8.081 1.00 0.00 O ATOM 745 CB PRO A 47 10.662 12.132 5.732 1.00 0.00 C ATOM 746 CG PRO A 47 10.126 12.398 4.285 1.00 0.00 C ATOM 747 CD PRO A 47 8.630 11.977 4.173 1.00 0.00 C ATOM 0 HA PRO A 47 9.911 10.301 6.329 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.833 13.055 6.286 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.603 11.582 5.730 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.232 13.455 4.040 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.722 11.841 3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.989 12.840 3.990 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.475 11.284 3.346 1.00 0.00 H new ATOM 755 N GLY A 48 9.987 11.241 8.641 1.00 0.00 N ATOM 756 CA GLY A 48 9.768 11.384 10.124 1.00 0.00 C ATOM 757 C GLY A 48 9.363 9.946 10.550 1.00 0.00 C ATOM 758 O GLY A 48 9.620 9.483 11.639 1.00 0.00 O ATOM 0 H GLY A 48 10.852 10.759 8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.670 11.719 10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.986 12.109 10.350 1.00 0.00 H new ATOM 762 N ARG A 49 8.749 9.280 9.598 1.00 0.00 N ATOM 763 CA ARG A 49 8.331 7.875 9.675 1.00 0.00 C ATOM 764 C ARG A 49 9.372 7.109 8.808 1.00 0.00 C ATOM 765 O ARG A 49 10.129 6.352 9.348 1.00 0.00 O ATOM 766 CB ARG A 49 6.949 7.614 9.026 1.00 0.00 C ATOM 767 CG ARG A 49 5.885 8.506 9.676 1.00 0.00 C ATOM 768 CD ARG A 49 5.824 8.075 11.160 1.00 0.00 C ATOM 769 NE ARG A 49 6.519 9.111 11.954 1.00 0.00 N ATOM 770 CZ ARG A 49 6.355 9.221 13.249 1.00 0.00 C ATOM 771 NH1 ARG A 49 6.584 8.212 14.053 1.00 0.00 N ATOM 772 NH2 ARG A 49 5.961 10.351 13.767 1.00 0.00 N ATOM 0 H ARG A 49 8.511 9.711 8.705 1.00 0.00 H new ATOM 0 HA ARG A 49 8.269 7.574 10.721 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.998 7.814 7.956 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.676 6.565 9.142 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.149 9.560 9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.917 8.377 9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.789 7.972 11.487 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.300 7.104 11.297 1.00 0.00 H new ATOM 0 HE ARG A 49 7.146 9.760 11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.897 7.318 13.674 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.450 8.320 15.058 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.779 11.153 13.163 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.834 10.433 14.776 1.00 0.00 H new ATOM 786 N HIS A 50 9.282 7.365 7.529 1.00 0.00 N ATOM 787 CA HIS A 50 10.196 6.597 6.571 1.00 0.00 C ATOM 788 C HIS A 50 9.817 5.115 6.874 1.00 0.00 C ATOM 789 O HIS A 50 10.573 4.219 6.611 1.00 0.00 O ATOM 790 CB HIS A 50 11.683 6.766 6.829 1.00 0.00 C ATOM 791 CG HIS A 50 12.035 7.998 7.627 1.00 0.00 C ATOM 792 ND1 HIS A 50 12.058 7.922 9.012 1.00 0.00 N ATOM 793 CD2 HIS A 50 12.370 9.283 7.303 1.00 0.00 C ATOM 794 CE1 HIS A 50 12.389 9.115 9.498 1.00 0.00 C ATOM 795 NE2 HIS A 50 12.585 9.957 8.499 1.00 0.00 N ATOM 0 H HIS A 50 8.649 8.040 7.100 1.00 0.00 H new ATOM 0 HA HIS A 50 10.052 6.945 5.548 1.00 0.00 H new ATOM 0 HB2 HIS A 50 12.051 5.887 7.358 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.204 6.805 5.873 1.00 0.00 H new ATOM 0 HD1 HIS A 50 11.855 7.090 9.566 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.452 9.695 6.308 1.00 0.00 H new ATOM 0 HE1 HIS A 50 12.483 9.358 10.546 1.00 0.00 H new ATOM 804 N ASP A 51 8.639 4.942 7.448 1.00 0.00 N ATOM 805 CA ASP A 51 8.293 3.529 7.786 1.00 0.00 C ATOM 806 C ASP A 51 6.812 3.198 7.807 1.00 0.00 C ATOM 807 O ASP A 51 6.508 2.013 7.892 1.00 0.00 O ATOM 808 CB ASP A 51 8.960 3.138 9.125 1.00 0.00 C ATOM 809 CG ASP A 51 7.943 2.724 10.164 1.00 0.00 C ATOM 810 OD1 ASP A 51 7.330 3.588 10.754 1.00 0.00 O ATOM 811 OD2 ASP A 51 7.743 1.540 10.398 1.00 0.00 O ATOM 0 H ASP A 51 7.954 5.662 7.680 1.00 0.00 H new ATOM 0 HA ASP A 51 8.686 2.931 6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.660 2.319 8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.540 3.981 9.501 1.00 0.00 H new ATOM 816 N ILE A 52 5.897 4.143 7.691 1.00 0.00 N ATOM 817 CA ILE A 52 4.443 3.935 7.670 1.00 0.00 C ATOM 818 C ILE A 52 3.955 4.273 6.242 1.00 0.00 C ATOM 819 O ILE A 52 3.955 5.397 5.814 1.00 0.00 O ATOM 820 CB ILE A 52 3.659 4.718 8.699 1.00 0.00 C ATOM 821 CG1 ILE A 52 3.865 6.228 8.581 1.00 0.00 C ATOM 822 CG2 ILE A 52 4.023 4.291 10.140 1.00 0.00 C ATOM 823 CD1 ILE A 52 2.501 6.888 8.412 1.00 0.00 C ATOM 0 H ILE A 52 6.150 5.127 7.604 1.00 0.00 H new ATOM 0 HA ILE A 52 4.259 2.895 7.941 1.00 0.00 H new ATOM 0 HB ILE A 52 2.613 4.490 8.494 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.365 6.613 9.470 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.506 6.458 7.730 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.439 4.876 10.851 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.801 3.232 10.273 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.085 4.464 10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.627 7.967 8.326 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.021 6.506 7.511 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.878 6.663 9.278 1.00 0.00 H new ATOM 835 N ALA A 53 3.578 3.229 5.520 1.00 0.00 N ATOM 836 CA ALA A 53 3.191 3.349 4.114 1.00 0.00 C ATOM 837 C ALA A 53 1.683 3.055 3.938 1.00 0.00 C ATOM 838 O ALA A 53 1.217 1.968 4.279 1.00 0.00 O ATOM 839 CB ALA A 53 3.948 2.262 3.321 1.00 0.00 C ATOM 0 H ALA A 53 3.530 2.278 5.885 1.00 0.00 H new ATOM 0 HA ALA A 53 3.419 4.358 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.679 2.327 2.267 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.022 2.413 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.678 1.278 3.704 1.00 0.00 H new ATOM 845 N PHE A 54 1.051 4.061 3.430 1.00 0.00 N ATOM 846 CA PHE A 54 -0.410 4.056 3.045 1.00 0.00 C ATOM 847 C PHE A 54 -0.530 4.157 1.499 1.00 0.00 C ATOM 848 O PHE A 54 -0.473 5.185 0.876 1.00 0.00 O ATOM 849 CB PHE A 54 -1.220 5.148 3.729 1.00 0.00 C ATOM 850 CG PHE A 54 -2.555 4.672 4.273 1.00 0.00 C ATOM 851 CD1 PHE A 54 -3.455 3.998 3.453 1.00 0.00 C ATOM 852 CD2 PHE A 54 -2.891 4.913 5.619 1.00 0.00 C ATOM 853 CE1 PHE A 54 -4.672 3.584 4.029 1.00 0.00 C ATOM 854 CE2 PHE A 54 -4.097 4.503 6.178 1.00 0.00 C ATOM 855 CZ PHE A 54 -5.003 3.824 5.364 1.00 0.00 C ATOM 0 H PHE A 54 1.506 4.955 3.248 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.838 3.116 3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.633 5.564 4.547 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.395 5.956 3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.229 3.800 2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.183 5.438 6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.382 3.056 3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.325 4.705 7.214 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.949 3.488 5.761 1.00 0.00 H new ATOM 865 N VAL A 55 -0.676 2.960 0.925 1.00 0.00 N ATOM 866 CA VAL A 55 -0.706 2.730 -0.525 1.00 0.00 C ATOM 867 C VAL A 55 -2.029 2.239 -1.080 1.00 0.00 C ATOM 868 O VAL A 55 -2.537 1.146 -1.001 1.00 0.00 O ATOM 869 CB VAL A 55 0.347 1.608 -0.767 1.00 0.00 C ATOM 870 CG1 VAL A 55 0.920 1.725 -2.147 1.00 0.00 C ATOM 871 CG2 VAL A 55 1.503 1.850 0.239 1.00 0.00 C ATOM 0 H VAL A 55 -0.779 2.102 1.467 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.517 3.680 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.116 0.629 -0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.655 0.935 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.121 1.629 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.402 2.696 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.267 1.085 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.939 2.833 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.116 1.803 1.257 1.00 0.00 H new ATOM 881 N GLU A 56 -2.637 3.194 -1.753 1.00 0.00 N ATOM 882 CA GLU A 56 -3.939 3.115 -2.431 1.00 0.00 C ATOM 883 C GLU A 56 -3.696 2.885 -3.944 1.00 0.00 C ATOM 884 O GLU A 56 -3.178 3.691 -4.662 1.00 0.00 O ATOM 885 CB GLU A 56 -4.597 4.517 -2.359 1.00 0.00 C ATOM 886 CG GLU A 56 -5.406 4.744 -1.097 1.00 0.00 C ATOM 887 CD GLU A 56 -5.465 6.233 -0.700 1.00 0.00 C ATOM 888 OE1 GLU A 56 -6.308 6.960 -1.222 1.00 0.00 O ATOM 889 OE2 GLU A 56 -4.650 6.627 0.129 1.00 0.00 O ATOM 0 H GLU A 56 -2.214 4.117 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.540 2.328 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.819 5.278 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.245 4.650 -3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.419 4.369 -1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.970 4.169 -0.280 1.00 0.00 H new ATOM 896 N PHE A 57 -4.042 1.713 -4.345 1.00 0.00 N ATOM 897 CA PHE A 57 -3.838 1.210 -5.753 1.00 0.00 C ATOM 898 C PHE A 57 -5.216 0.924 -6.404 1.00 0.00 C ATOM 899 O PHE A 57 -5.792 -0.061 -6.050 1.00 0.00 O ATOM 900 CB PHE A 57 -3.133 -0.136 -5.822 1.00 0.00 C ATOM 901 CG PHE A 57 -1.857 -0.286 -5.061 1.00 0.00 C ATOM 902 CD1 PHE A 57 -1.897 -0.295 -3.679 1.00 0.00 C ATOM 903 CD2 PHE A 57 -0.648 -0.444 -5.786 1.00 0.00 C ATOM 904 CE1 PHE A 57 -0.709 -0.475 -2.981 1.00 0.00 C ATOM 905 CE2 PHE A 57 0.550 -0.625 -5.091 1.00 0.00 C ATOM 906 CZ PHE A 57 0.496 -0.642 -3.701 1.00 0.00 C ATOM 0 H PHE A 57 -4.486 1.029 -3.732 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.249 1.984 -6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.827 -0.898 -5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.927 -0.355 -6.870 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.831 -0.165 -3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.654 -0.425 -6.866 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.706 -0.487 -1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.486 -0.748 -5.615 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.413 -0.789 -3.149 1.00 0.00 H new ATOM 916 N ASP A 58 -5.575 1.815 -7.248 1.00 0.00 N ATOM 917 CA ASP A 58 -6.854 1.778 -8.030 1.00 0.00 C ATOM 918 C ASP A 58 -7.451 0.393 -8.105 1.00 0.00 C ATOM 919 O ASP A 58 -8.671 0.282 -8.067 1.00 0.00 O ATOM 920 CB ASP A 58 -6.520 2.298 -9.444 1.00 0.00 C ATOM 921 CG ASP A 58 -7.830 2.263 -10.244 1.00 0.00 C ATOM 922 OD1 ASP A 58 -8.748 2.900 -9.730 1.00 0.00 O ATOM 923 OD2 ASP A 58 -7.903 1.644 -11.289 1.00 0.00 O ATOM 0 H ASP A 58 -5.004 2.634 -7.455 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.604 2.396 -7.536 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.120 3.311 -9.400 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.760 1.675 -9.917 1.00 0.00 H new ATOM 928 N ASN A 59 -6.720 -0.687 -8.204 1.00 0.00 N ATOM 929 CA ASN A 59 -7.403 -1.998 -8.256 1.00 0.00 C ATOM 930 C ASN A 59 -6.594 -3.103 -7.538 1.00 0.00 C ATOM 931 O ASN A 59 -5.410 -3.132 -7.622 1.00 0.00 O ATOM 932 CB ASN A 59 -7.739 -2.421 -9.693 1.00 0.00 C ATOM 933 CG ASN A 59 -6.456 -2.761 -10.430 1.00 0.00 C ATOM 934 OD1 ASN A 59 -5.948 -3.854 -10.306 1.00 0.00 O ATOM 935 ND2 ASN A 59 -5.933 -1.826 -11.191 1.00 0.00 N ATOM 0 H ASN A 59 -5.701 -0.712 -8.250 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.344 -1.871 -7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.406 -3.283 -9.684 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.265 -1.617 -10.207 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.070 -2.009 -11.703 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.390 -0.918 -11.270 1.00 0.00 H new ATOM 942 N GLU A 60 -7.311 -3.974 -6.866 1.00 0.00 N ATOM 943 CA GLU A 60 -6.742 -5.128 -6.110 1.00 0.00 C ATOM 944 C GLU A 60 -5.862 -6.082 -6.979 1.00 0.00 C ATOM 945 O GLU A 60 -5.085 -6.814 -6.440 1.00 0.00 O ATOM 946 CB GLU A 60 -7.803 -5.932 -5.385 1.00 0.00 C ATOM 947 CG GLU A 60 -9.189 -5.802 -5.997 1.00 0.00 C ATOM 948 CD GLU A 60 -10.165 -6.796 -5.368 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.636 -6.510 -4.285 1.00 0.00 O ATOM 950 OE2 GLU A 60 -10.447 -7.830 -5.944 1.00 0.00 O ATOM 0 H GLU A 60 -8.328 -3.922 -6.812 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.088 -4.664 -5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.513 -6.983 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.843 -5.610 -4.344 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.558 -4.786 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.133 -5.974 -7.072 1.00 0.00 H new ATOM 957 N VAL A 61 -5.980 -6.083 -8.280 1.00 0.00 N ATOM 958 CA VAL A 61 -5.135 -6.983 -9.153 1.00 0.00 C ATOM 959 C VAL A 61 -3.709 -6.361 -9.087 1.00 0.00 C ATOM 960 O VAL A 61 -2.718 -7.024 -8.892 1.00 0.00 O ATOM 961 CB VAL A 61 -5.622 -7.023 -10.592 1.00 0.00 C ATOM 962 CG1 VAL A 61 -4.742 -8.043 -11.344 1.00 0.00 C ATOM 963 CG2 VAL A 61 -7.054 -7.539 -10.614 1.00 0.00 C ATOM 0 H VAL A 61 -6.634 -5.492 -8.793 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.174 -8.015 -8.804 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.571 -6.033 -11.045 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.061 -8.101 -12.385 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.700 -7.726 -11.301 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.843 -9.023 -10.878 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.413 -7.572 -11.643 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.086 -8.541 -10.186 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.689 -6.874 -10.029 1.00 0.00 H new ATOM 973 N GLN A 62 -3.710 -5.052 -9.252 1.00 0.00 N ATOM 974 CA GLN A 62 -2.423 -4.313 -9.190 1.00 0.00 C ATOM 975 C GLN A 62 -2.067 -4.120 -7.710 1.00 0.00 C ATOM 976 O GLN A 62 -0.882 -4.007 -7.418 1.00 0.00 O ATOM 977 CB GLN A 62 -2.420 -2.920 -9.830 1.00 0.00 C ATOM 978 CG GLN A 62 -2.669 -1.865 -8.738 1.00 0.00 C ATOM 979 CD GLN A 62 -3.234 -0.577 -9.393 1.00 0.00 C ATOM 980 OE1 GLN A 62 -4.402 -0.476 -9.671 1.00 0.00 O ATOM 981 NE2 GLN A 62 -2.371 0.369 -9.617 1.00 0.00 N ATOM 0 H GLN A 62 -4.538 -4.481 -9.424 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.713 -4.915 -9.757 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.465 -2.734 -10.322 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -3.192 -2.857 -10.597 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.371 -2.249 -7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.741 -1.643 -8.212 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.392 0.237 -9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.673 1.244 -10.046 1.00 0.00 H new ATOM 990 N ALA A 63 -2.994 -4.069 -6.827 1.00 0.00 N ATOM 991 CA ALA A 63 -2.709 -3.861 -5.372 1.00 0.00 C ATOM 992 C ALA A 63 -2.070 -5.182 -4.934 1.00 0.00 C ATOM 993 O ALA A 63 -1.161 -5.184 -4.151 1.00 0.00 O ATOM 994 CB ALA A 63 -4.000 -3.687 -4.576 1.00 0.00 C ATOM 0 H ALA A 63 -3.986 -4.165 -7.046 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.093 -2.977 -5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.761 -3.538 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.545 -2.820 -4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.618 -4.578 -4.685 1.00 0.00 H new ATOM 1000 N GLY A 64 -2.613 -6.222 -5.499 1.00 0.00 N ATOM 1001 CA GLY A 64 -2.160 -7.628 -5.225 1.00 0.00 C ATOM 1002 C GLY A 64 -0.866 -7.859 -5.963 1.00 0.00 C ATOM 1003 O GLY A 64 0.016 -8.591 -5.506 1.00 0.00 O ATOM 0 H GLY A 64 -3.382 -6.160 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.020 -7.780 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.916 -8.341 -5.552 1.00 0.00 H new ATOM 1007 N ALA A 65 -0.682 -7.257 -7.112 1.00 0.00 N ATOM 1008 CA ALA A 65 0.552 -7.414 -7.913 1.00 0.00 C ATOM 1009 C ALA A 65 1.687 -6.791 -7.074 1.00 0.00 C ATOM 1010 O ALA A 65 2.653 -7.463 -6.793 1.00 0.00 O ATOM 1011 CB ALA A 65 0.364 -6.726 -9.248 1.00 0.00 C ATOM 0 H ALA A 65 -1.373 -6.639 -7.537 1.00 0.00 H new ATOM 0 HA ALA A 65 0.792 -8.454 -8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.269 -6.837 -9.845 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.476 -7.178 -9.775 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.163 -5.667 -9.086 1.00 0.00 H new ATOM 1017 N ALA A 66 1.515 -5.544 -6.713 1.00 0.00 N ATOM 1018 CA ALA A 66 2.505 -4.778 -5.877 1.00 0.00 C ATOM 1019 C ALA A 66 2.661 -5.463 -4.541 1.00 0.00 C ATOM 1020 O ALA A 66 3.753 -5.786 -4.095 1.00 0.00 O ATOM 1021 CB ALA A 66 1.998 -3.354 -5.592 1.00 0.00 C ATOM 0 H ALA A 66 0.693 -4.998 -6.973 1.00 0.00 H new ATOM 0 HA ALA A 66 3.446 -4.739 -6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.731 -2.821 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.852 -2.825 -6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.052 -3.406 -5.054 1.00 0.00 H new ATOM 1027 N ARG A 67 1.606 -5.730 -3.836 1.00 0.00 N ATOM 1028 CA ARG A 67 1.612 -6.389 -2.529 1.00 0.00 C ATOM 1029 C ARG A 67 2.330 -7.736 -2.630 1.00 0.00 C ATOM 1030 O ARG A 67 3.207 -8.035 -1.874 1.00 0.00 O ATOM 1031 CB ARG A 67 0.183 -6.677 -2.019 1.00 0.00 C ATOM 1032 CG ARG A 67 0.204 -6.992 -0.504 1.00 0.00 C ATOM 1033 CD ARG A 67 0.513 -8.468 -0.259 1.00 0.00 C ATOM 1034 NE ARG A 67 1.513 -8.527 0.856 1.00 0.00 N ATOM 1035 CZ ARG A 67 1.138 -8.707 2.107 1.00 0.00 C ATOM 1036 NH1 ARG A 67 0.871 -9.914 2.499 1.00 0.00 N ATOM 1037 NH2 ARG A 67 1.062 -7.658 2.859 1.00 0.00 N ATOM 0 H ARG A 67 0.666 -5.492 -4.153 1.00 0.00 H new ATOM 0 HA ARG A 67 2.117 -5.712 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.458 -5.816 -2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.243 -7.518 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.953 -6.373 -0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.760 -6.740 -0.063 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.393 -9.013 0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.912 -8.933 -1.160 1.00 0.00 H new ATOM 0 HE ARG A 67 2.505 -8.426 0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.954 -10.693 1.845 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.578 -10.085 3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.288 -6.739 2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.776 -7.749 3.834 1.00 0.00 H new ATOM 1051 N ASP A 68 1.941 -8.537 -3.589 1.00 0.00 N ATOM 1052 CA ASP A 68 2.585 -9.884 -3.792 1.00 0.00 C ATOM 1053 C ASP A 68 4.046 -9.724 -4.251 1.00 0.00 C ATOM 1054 O ASP A 68 4.936 -10.499 -3.941 1.00 0.00 O ATOM 1055 CB ASP A 68 1.803 -10.703 -4.844 1.00 0.00 C ATOM 1056 CG ASP A 68 2.559 -12.023 -5.118 1.00 0.00 C ATOM 1057 OD1 ASP A 68 2.318 -12.934 -4.354 1.00 0.00 O ATOM 1058 OD2 ASP A 68 3.331 -12.073 -6.056 1.00 0.00 O ATOM 0 H ASP A 68 1.196 -8.318 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 68 2.567 -10.413 -2.839 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.796 -10.914 -4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.699 -10.130 -5.766 1.00 0.00 H new ATOM 1063 N ALA A 69 4.308 -8.692 -5.008 1.00 0.00 N ATOM 1064 CA ALA A 69 5.707 -8.449 -5.509 1.00 0.00 C ATOM 1065 C ALA A 69 6.597 -7.993 -4.356 1.00 0.00 C ATOM 1066 O ALA A 69 7.781 -8.274 -4.375 1.00 0.00 O ATOM 1067 CB ALA A 69 5.674 -7.391 -6.606 1.00 0.00 C ATOM 0 H ALA A 69 3.618 -8.002 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 69 6.116 -9.373 -5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.686 -7.213 -6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.048 -7.738 -7.428 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.265 -6.464 -6.205 1.00 0.00 H new ATOM 1073 N LEU A 70 6.019 -7.321 -3.404 1.00 0.00 N ATOM 1074 CA LEU A 70 6.831 -6.842 -2.240 1.00 0.00 C ATOM 1075 C LEU A 70 6.190 -7.416 -0.971 1.00 0.00 C ATOM 1076 O LEU A 70 6.161 -6.822 0.091 1.00 0.00 O ATOM 1077 CB LEU A 70 6.858 -5.316 -2.113 1.00 0.00 C ATOM 1078 CG LEU A 70 5.458 -4.737 -1.942 1.00 0.00 C ATOM 1079 CD1 LEU A 70 5.277 -4.015 -0.596 1.00 0.00 C ATOM 1080 CD2 LEU A 70 5.236 -3.695 -3.033 1.00 0.00 C ATOM 0 H LEU A 70 5.028 -7.081 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 70 7.860 -7.172 -2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.475 -5.033 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.323 -4.886 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 70 4.754 -5.568 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.262 -3.622 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.450 -4.717 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.990 -3.193 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.239 -3.267 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.981 -2.905 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.329 -4.167 -4.011 1.00 0.00 H new ATOM 1092 N GLN A 71 5.669 -8.618 -1.119 1.00 0.00 N ATOM 1093 CA GLN A 71 5.002 -9.314 0.045 1.00 0.00 C ATOM 1094 C GLN A 71 5.998 -9.802 1.089 1.00 0.00 C ATOM 1095 O GLN A 71 5.647 -10.494 2.018 1.00 0.00 O ATOM 1096 CB GLN A 71 4.208 -10.526 -0.440 1.00 0.00 C ATOM 1097 CG GLN A 71 3.049 -10.843 0.508 1.00 0.00 C ATOM 1098 CD GLN A 71 3.031 -12.313 0.870 1.00 0.00 C ATOM 1099 OE1 GLN A 71 3.987 -12.830 1.421 1.00 0.00 O ATOM 1100 NE2 GLN A 71 1.970 -12.998 0.574 1.00 0.00 N ATOM 0 H GLN A 71 5.675 -9.148 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 71 4.348 -8.572 0.502 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.821 -10.334 -1.441 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.868 -11.390 -0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.140 -10.243 1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.105 -10.569 0.038 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.182 -12.544 0.113 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.924 -13.991 0.803 1.00 0.00 H new ATOM 1109 N GLY A 72 7.239 -9.464 0.968 1.00 0.00 N ATOM 1110 CA GLY A 72 8.203 -9.945 1.987 1.00 0.00 C ATOM 1111 C GLY A 72 9.459 -9.058 1.868 1.00 0.00 C ATOM 1112 O GLY A 72 10.537 -9.585 1.871 1.00 0.00 O ATOM 0 H GLY A 72 7.628 -8.886 0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.775 -9.876 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.453 -10.993 1.819 1.00 0.00 H new ATOM 1116 N PHE A 73 9.232 -7.789 1.770 1.00 0.00 N ATOM 1117 CA PHE A 73 10.318 -6.765 1.659 1.00 0.00 C ATOM 1118 C PHE A 73 11.076 -6.838 3.007 1.00 0.00 C ATOM 1119 O PHE A 73 10.829 -6.083 3.912 1.00 0.00 O ATOM 1120 CB PHE A 73 9.813 -5.389 1.335 1.00 0.00 C ATOM 1121 CG PHE A 73 10.889 -4.610 0.591 1.00 0.00 C ATOM 1122 CD1 PHE A 73 12.235 -5.017 0.604 1.00 0.00 C ATOM 1123 CD2 PHE A 73 10.537 -3.446 -0.130 1.00 0.00 C ATOM 1124 CE1 PHE A 73 13.205 -4.261 -0.097 1.00 0.00 C ATOM 1125 CE2 PHE A 73 11.491 -2.705 -0.821 1.00 0.00 C ATOM 1126 CZ PHE A 73 12.831 -3.106 -0.809 1.00 0.00 C ATOM 0 H PHE A 73 8.293 -7.391 1.761 1.00 0.00 H new ATOM 0 HA PHE A 73 10.978 -6.979 0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.912 -5.456 0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.540 -4.866 2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.528 -5.903 1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.506 -3.125 -0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.239 -4.573 -0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.197 -1.820 -1.366 1.00 0.00 H new ATOM 0 HZ PHE A 73 13.574 -2.533 -1.343 1.00 0.00 H new ATOM 1136 N LYS A 74 11.974 -7.784 3.050 1.00 0.00 N ATOM 1137 CA LYS A 74 12.845 -8.080 4.196 1.00 0.00 C ATOM 1138 C LYS A 74 13.754 -6.847 4.397 1.00 0.00 C ATOM 1139 O LYS A 74 14.818 -6.849 3.834 1.00 0.00 O ATOM 1140 CB LYS A 74 13.719 -9.325 3.942 1.00 0.00 C ATOM 1141 CG LYS A 74 13.674 -9.786 2.497 1.00 0.00 C ATOM 1142 CD LYS A 74 14.209 -8.711 1.521 1.00 0.00 C ATOM 1143 CE LYS A 74 13.750 -9.002 0.094 1.00 0.00 C ATOM 1144 NZ LYS A 74 14.777 -8.576 -0.904 1.00 0.00 N ATOM 0 H LYS A 74 12.140 -8.408 2.260 1.00 0.00 H new ATOM 0 HA LYS A 74 12.237 -8.288 5.076 1.00 0.00 H new ATOM 0 HB2 LYS A 74 14.750 -9.102 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 74 13.385 -10.136 4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.264 -10.697 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.648 -10.038 2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.857 -7.726 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 74 15.298 -8.687 1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.553 -10.068 -0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.812 -8.482 -0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.437 -8.787 -1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.946 -7.554 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.664 -9.091 -0.731 1.00 0.00 H new ATOM 1158 N ILE A 75 13.285 -5.915 5.160 1.00 0.00 N ATOM 1159 CA ILE A 75 14.040 -4.654 5.478 1.00 0.00 C ATOM 1160 C ILE A 75 15.468 -5.115 5.846 1.00 0.00 C ATOM 1161 O ILE A 75 16.418 -4.447 5.540 1.00 0.00 O ATOM 1162 CB ILE A 75 13.385 -4.028 6.693 1.00 0.00 C ATOM 1163 CG1 ILE A 75 12.226 -3.082 6.297 1.00 0.00 C ATOM 1164 CG2 ILE A 75 14.351 -3.155 7.515 1.00 0.00 C ATOM 1165 CD1 ILE A 75 11.263 -3.791 5.367 1.00 0.00 C ATOM 0 H ILE A 75 12.368 -5.966 5.603 1.00 0.00 H new ATOM 0 HA ILE A 75 14.050 -3.937 4.657 1.00 0.00 H new ATOM 0 HB ILE A 75 13.039 -4.881 7.277 1.00 0.00 H new ATOM 0 HG12 ILE A 75 11.699 -2.747 7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 75 12.624 -2.192 5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 75 13.823 -2.735 8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 75 15.184 -3.765 7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 75 14.731 -2.346 6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.453 -3.114 5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.791 -4.103 4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.851 -4.667 5.868 1.00 0.00 H new ATOM 1177 N THR A 76 15.534 -6.264 6.496 1.00 0.00 N ATOM 1178 CA THR A 76 16.875 -6.759 6.871 1.00 0.00 C ATOM 1179 C THR A 76 17.072 -8.259 6.541 1.00 0.00 C ATOM 1180 O THR A 76 18.177 -8.610 6.235 1.00 0.00 O ATOM 1181 CB THR A 76 17.061 -6.517 8.388 1.00 0.00 C ATOM 1182 OG1 THR A 76 16.384 -5.360 8.821 1.00 0.00 O ATOM 1183 CG2 THR A 76 18.565 -6.374 8.682 1.00 0.00 C ATOM 0 H THR A 76 14.743 -6.848 6.767 1.00 0.00 H new ATOM 0 HA THR A 76 17.622 -6.219 6.290 1.00 0.00 H new ATOM 0 HB THR A 76 16.640 -7.365 8.927 1.00 0.00 H new ATOM 0 HG1 THR A 76 16.763 -5.059 9.673 1.00 0.00 H new ATOM 0 HG21 THR A 76 18.713 -6.203 9.748 1.00 0.00 H new ATOM 0 HG22 THR A 76 19.082 -7.287 8.386 1.00 0.00 H new ATOM 0 HG23 THR A 76 18.967 -5.531 8.120 1.00 0.00 H new ATOM 1191 N GLN A 77 16.009 -8.972 6.641 1.00 0.00 N ATOM 1192 CA GLN A 77 15.923 -10.442 6.411 1.00 0.00 C ATOM 1193 C GLN A 77 15.245 -11.002 7.689 1.00 0.00 C ATOM 1194 O GLN A 77 14.526 -11.976 7.670 1.00 0.00 O ATOM 1195 CB GLN A 77 17.246 -11.101 6.124 1.00 0.00 C ATOM 1196 CG GLN A 77 18.165 -11.135 7.354 1.00 0.00 C ATOM 1197 CD GLN A 77 18.389 -12.563 7.846 1.00 0.00 C ATOM 1198 OE1 GLN A 77 19.444 -13.126 7.607 1.00 0.00 O ATOM 1199 NE2 GLN A 77 17.463 -13.181 8.518 1.00 0.00 N ATOM 0 H GLN A 77 15.110 -8.564 6.896 1.00 0.00 H new ATOM 0 HA GLN A 77 15.351 -10.657 5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.073 -12.119 5.775 1.00 0.00 H new ATOM 0 HB3 GLN A 77 17.746 -10.568 5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.124 -10.680 7.106 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.727 -10.538 8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.580 -12.712 8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.620 -14.135 8.844 1.00 0.00 H new ATOM 1208 N ASN A 78 15.520 -10.301 8.758 1.00 0.00 N ATOM 1209 CA ASN A 78 14.952 -10.602 10.108 1.00 0.00 C ATOM 1210 C ASN A 78 13.741 -9.648 10.261 1.00 0.00 C ATOM 1211 O ASN A 78 12.755 -9.945 10.890 1.00 0.00 O ATOM 1212 CB ASN A 78 16.038 -10.291 11.129 1.00 0.00 C ATOM 1213 CG ASN A 78 16.001 -11.278 12.307 1.00 0.00 C ATOM 1214 OD1 ASN A 78 14.950 -11.614 12.794 1.00 0.00 O ATOM 1215 ND2 ASN A 78 17.139 -11.744 12.763 1.00 0.00 N ATOM 0 H ASN A 78 16.145 -9.495 8.749 1.00 0.00 H new ATOM 0 HA ASN A 78 14.637 -11.637 10.243 1.00 0.00 H new ATOM 0 HB2 ASN A 78 17.015 -10.334 10.647 1.00 0.00 H new ATOM 0 HB3 ASN A 78 15.910 -9.274 11.500 1.00 0.00 H new ATOM 0 HD21 ASN A 78 17.145 -12.402 13.542 1.00 0.00 H new ATOM 0 HD22 ASN A 78 18.018 -11.448 12.338 1.00 0.00 H new ATOM 1222 N ASN A 79 13.903 -8.511 9.638 1.00 0.00 N ATOM 1223 CA ASN A 79 12.864 -7.423 9.622 1.00 0.00 C ATOM 1224 C ASN A 79 12.189 -7.515 8.230 1.00 0.00 C ATOM 1225 O ASN A 79 12.942 -7.468 7.263 1.00 0.00 O ATOM 1226 CB ASN A 79 13.489 -6.047 9.711 1.00 0.00 C ATOM 1227 CG ASN A 79 14.286 -5.852 11.005 1.00 0.00 C ATOM 1228 OD1 ASN A 79 13.949 -5.020 11.816 1.00 0.00 O ATOM 1229 ND2 ASN A 79 15.322 -6.598 11.210 1.00 0.00 N ATOM 0 H ASN A 79 14.748 -8.277 9.116 1.00 0.00 H new ATOM 0 HA ASN A 79 12.185 -7.552 10.465 1.00 0.00 H new ATOM 0 HB2 ASN A 79 14.147 -5.893 8.855 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.706 -5.291 9.652 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.868 -6.489 12.065 1.00 0.00 H new ATOM 0 HD22 ASN A 79 15.594 -7.295 10.517 1.00 0.00 H new ATOM 1236 N ALA A 80 10.906 -7.639 8.159 1.00 0.00 N ATOM 1237 CA ALA A 80 10.161 -7.748 6.890 1.00 0.00 C ATOM 1238 C ALA A 80 8.920 -6.831 7.007 1.00 0.00 C ATOM 1239 O ALA A 80 8.176 -6.960 7.966 1.00 0.00 O ATOM 1240 CB ALA A 80 9.653 -9.165 6.636 1.00 0.00 C ATOM 0 H ALA A 80 10.307 -7.671 8.984 1.00 0.00 H new ATOM 0 HA ALA A 80 10.829 -7.470 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 80 9.111 -9.193 5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.498 -9.852 6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.986 -9.463 7.445 1.00 0.00 H new ATOM 1246 N MET A 81 8.762 -5.968 6.054 1.00 0.00 N ATOM 1247 CA MET A 81 7.657 -4.994 5.972 1.00 0.00 C ATOM 1248 C MET A 81 6.310 -5.543 6.404 1.00 0.00 C ATOM 1249 O MET A 81 6.018 -6.716 6.332 1.00 0.00 O ATOM 1250 CB MET A 81 7.593 -4.499 4.509 1.00 0.00 C ATOM 1251 CG MET A 81 6.249 -4.776 3.867 1.00 0.00 C ATOM 1252 SD MET A 81 6.165 -6.488 3.235 1.00 0.00 S ATOM 1253 CE MET A 81 4.454 -6.817 3.777 1.00 0.00 C ATOM 0 H MET A 81 9.410 -5.899 5.269 1.00 0.00 H new ATOM 0 HA MET A 81 7.865 -4.184 6.671 1.00 0.00 H new ATOM 0 HB2 MET A 81 7.793 -3.428 4.481 1.00 0.00 H new ATOM 0 HB3 MET A 81 8.377 -4.985 3.929 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.454 -4.614 4.595 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.081 -4.074 3.050 1.00 0.00 H new ATOM 0 HE1 MET A 81 4.380 -7.839 4.147 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.184 -6.122 4.573 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.774 -6.686 2.935 1.00 0.00 H new ATOM 1263 N LYS A 82 5.445 -4.638 6.840 1.00 0.00 N ATOM 1264 CA LYS A 82 4.060 -4.979 7.228 1.00 0.00 C ATOM 1265 C LYS A 82 3.125 -3.956 6.506 1.00 0.00 C ATOM 1266 O LYS A 82 3.242 -2.794 6.827 1.00 0.00 O ATOM 1267 CB LYS A 82 3.869 -5.030 8.741 1.00 0.00 C ATOM 1268 CG LYS A 82 4.844 -6.058 9.369 1.00 0.00 C ATOM 1269 CD LYS A 82 4.037 -7.032 10.216 1.00 0.00 C ATOM 1270 CE LYS A 82 3.259 -7.964 9.269 1.00 0.00 C ATOM 1271 NZ LYS A 82 3.307 -9.338 9.830 1.00 0.00 N ATOM 0 H LYS A 82 5.670 -3.648 6.939 1.00 0.00 H new ATOM 0 HA LYS A 82 3.807 -5.991 6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.043 -4.043 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.840 -5.303 8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.385 -6.593 8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.588 -5.549 9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.697 -7.611 10.862 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.350 -6.491 10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.226 -7.630 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.698 -7.945 8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.787 -9.986 9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.297 -9.648 9.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.871 -9.343 10.774 1.00 0.00 H new ATOM 1285 N ILE A 83 2.383 -4.514 5.592 1.00 0.00 N ATOM 1286 CA ILE A 83 1.457 -3.836 4.642 1.00 0.00 C ATOM 1287 C ILE A 83 0.152 -4.639 4.686 1.00 0.00 C ATOM 1288 O ILE A 83 0.054 -5.773 4.286 1.00 0.00 O ATOM 1289 CB ILE A 83 2.071 -3.929 3.213 1.00 0.00 C ATOM 1290 CG1 ILE A 83 3.250 -2.938 3.202 1.00 0.00 C ATOM 1291 CG2 ILE A 83 1.078 -3.439 2.176 1.00 0.00 C ATOM 1292 CD1 ILE A 83 4.052 -3.199 1.928 1.00 0.00 C ATOM 0 H ILE A 83 2.388 -5.525 5.457 1.00 0.00 H new ATOM 0 HA ILE A 83 1.291 -2.789 4.895 1.00 0.00 H new ATOM 0 HB ILE A 83 2.355 -4.957 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.888 -1.910 3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.875 -3.075 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.523 -3.511 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.178 -4.053 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.818 -2.401 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.899 -2.514 1.884 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.416 -4.226 1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.414 -3.043 1.058 1.00 0.00 H new ATOM 1304 N SER A 84 -0.844 -3.977 5.238 1.00 0.00 N ATOM 1305 CA SER A 84 -2.190 -4.533 5.490 1.00 0.00 C ATOM 1306 C SER A 84 -3.216 -3.909 4.515 1.00 0.00 C ATOM 1307 O SER A 84 -3.625 -2.794 4.697 1.00 0.00 O ATOM 1308 CB SER A 84 -2.732 -4.296 6.886 1.00 0.00 C ATOM 1309 OG SER A 84 -2.002 -5.045 7.866 1.00 0.00 O ATOM 0 H SER A 84 -0.753 -3.007 5.539 1.00 0.00 H new ATOM 0 HA SER A 84 -2.064 -5.607 5.352 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.677 -3.234 7.123 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.785 -4.577 6.922 1.00 0.00 H new ATOM 0 HG SER A 84 -2.374 -4.870 8.756 1.00 0.00 H new ATOM 1315 N PHE A 85 -3.559 -4.654 3.530 1.00 0.00 N ATOM 1316 CA PHE A 85 -4.581 -4.248 2.523 1.00 0.00 C ATOM 1317 C PHE A 85 -5.829 -3.758 3.277 1.00 0.00 C ATOM 1318 O PHE A 85 -6.001 -3.940 4.471 1.00 0.00 O ATOM 1319 CB PHE A 85 -5.032 -5.421 1.652 1.00 0.00 C ATOM 1320 CG PHE A 85 -4.580 -6.756 2.132 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -5.070 -7.301 3.315 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -3.640 -7.457 1.359 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -4.612 -8.570 3.712 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -3.201 -8.719 1.781 1.00 0.00 C ATOM 1325 CZ PHE A 85 -3.689 -9.295 2.969 1.00 0.00 C ATOM 0 H PHE A 85 -3.160 -5.577 3.362 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.134 -3.482 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.121 -5.418 1.596 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.661 -5.268 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.787 -6.761 3.916 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.258 -7.026 0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.992 -8.997 4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.478 -9.257 1.186 1.00 0.00 H new ATOM 0 HZ PHE A 85 -3.356 -10.270 3.293 1.00 0.00 H new ATOM 1335 N ALA A 86 -6.743 -3.119 2.624 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.967 -2.570 3.218 1.00 0.00 C ATOM 1337 C ALA A 86 -8.929 -3.625 3.741 1.00 0.00 C ATOM 1338 O ALA A 86 -9.103 -3.670 4.955 1.00 0.00 O ATOM 1339 CB ALA A 86 -8.654 -1.697 2.143 1.00 0.00 C ATOM 0 H ALA A 86 -6.676 -2.946 1.621 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.686 -1.987 4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.571 -1.271 2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.982 -0.893 1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.894 -2.311 1.275 1.00 0.00 H new ATOM 1345 N LYS A 87 -9.547 -4.442 2.938 1.00 0.00 N ATOM 1346 CA LYS A 87 -10.474 -5.442 3.533 1.00 0.00 C ATOM 1347 C LYS A 87 -9.624 -6.454 4.331 1.00 0.00 C ATOM 1348 O LYS A 87 -8.951 -7.247 3.712 1.00 0.00 O ATOM 1349 CB LYS A 87 -11.265 -6.210 2.477 1.00 0.00 C ATOM 1350 CG LYS A 87 -12.530 -6.729 3.147 1.00 0.00 C ATOM 1351 CD LYS A 87 -12.687 -8.209 2.777 1.00 0.00 C ATOM 1352 CE LYS A 87 -13.448 -8.254 1.440 1.00 0.00 C ATOM 1353 NZ LYS A 87 -12.446 -8.324 0.343 1.00 0.00 N ATOM 0 H LYS A 87 -9.456 -4.463 1.922 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.190 -4.911 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.514 -5.562 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.674 -7.035 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -12.465 -6.611 4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.398 -6.159 2.816 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.713 -8.690 2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.235 -8.745 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.110 -9.119 1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.074 -7.369 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.925 -8.559 -0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.969 -7.404 0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.742 -9.058 0.562 1.00 0.00 H new ATOM 1367 N LYS A 88 -9.670 -6.407 5.627 1.00 0.00 N ATOM 1368 CA LYS A 88 -8.885 -7.340 6.497 1.00 0.00 C ATOM 1369 C LYS A 88 -9.733 -7.605 7.737 1.00 0.00 C ATOM 1370 O LYS A 88 -9.275 -8.300 8.627 1.00 0.00 O ATOM 1371 CB LYS A 88 -7.528 -6.772 6.925 1.00 0.00 C ATOM 1372 CG LYS A 88 -7.617 -5.251 7.074 1.00 0.00 C ATOM 1373 CD LYS A 88 -6.421 -4.769 7.904 1.00 0.00 C ATOM 1374 CE LYS A 88 -6.883 -4.084 9.184 1.00 0.00 C ATOM 1375 NZ LYS A 88 -7.560 -2.804 8.856 1.00 0.00 N ATOM 1376 OXT LYS A 88 -10.848 -7.102 7.787 1.00 0.00 O ATOM 0 H LYS A 88 -10.239 -5.738 6.145 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.670 -8.247 5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.219 -7.220 7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.768 -7.029 6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -7.614 -4.774 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.552 -4.973 7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.781 -5.616 8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.820 -4.077 7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.564 -4.736 9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.029 -3.897 9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.675 -2.240 9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.985 -2.273 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.494 -3.001 8.444 1.00 0.00 H new TER 1390 LYS A 88