USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -101:sc= -0.0504 (180deg=-1.18) USER MOD Single : A 1 MET N :NH3+ 178:sc= 2.24 (180deg=2.05) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 6 ASN : amide:sc= 0.196 K(o=0.2,f=-6.5!) USER MOD Single : A 9 GLN : amide:sc= -1.03 K(o=-1,f=-4!) USER MOD Single : A 13 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.028) USER MOD Single : A 14 SER OG : rot 130:sc= 0 USER MOD Single : A 16 SER OG : rot 110:sc= 0.0277 USER MOD Single : A 21 MET CE :methyl 156:sc= -1.04 (180deg=-2.13!) USER MOD Single : A 22 THR OG1 : rot 85:sc= 0.611 USER MOD Single : A 26 CYS SG : rot -130:sc= -0.514 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.223 K(o=-0.22,f=-5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= 0.346 (180deg=0.202) USER MOD Single : A 48 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 51 THR OG1 : rot -26:sc= 0.154 USER MOD Single : A 60 THR OG1 : rot 43:sc= 0.753 USER MOD Single : A 63 GLN : amide:sc= -0.662 K(o=-0.66,f=-0.11) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.903 11.077 -0.998 1.00 0.00 N ATOM 2 CA MET A 1 7.337 10.550 -2.309 1.00 0.00 C ATOM 3 C MET A 1 6.130 10.084 -3.151 1.00 0.00 C ATOM 4 O MET A 1 5.045 9.831 -2.614 1.00 0.00 O ATOM 5 CB MET A 1 8.352 9.401 -2.101 1.00 0.00 C ATOM 6 CG MET A 1 7.765 8.075 -1.590 1.00 0.00 C ATOM 7 SD MET A 1 6.912 8.207 -0.012 1.00 0.00 S ATOM 8 CE MET A 1 6.419 6.502 0.225 1.00 0.00 C ATOM 0 H1 MET A 1 7.737 11.351 -0.441 1.00 0.00 H new ATOM 0 H2 MET A 1 6.295 11.908 -1.142 1.00 0.00 H new ATOM 0 H3 MET A 1 6.372 10.343 -0.488 1.00 0.00 H new ATOM 0 HA MET A 1 7.826 11.351 -2.863 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.857 9.212 -3.048 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.112 9.736 -1.395 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.070 7.687 -2.335 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.570 7.346 -1.495 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.368 6.387 -0.040 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.026 5.856 -0.409 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.562 6.224 1.269 1.00 0.00 H new ATOM 20 N LEU A 2 6.347 9.959 -4.473 1.00 0.00 N ATOM 21 CA LEU A 2 5.309 9.585 -5.451 1.00 0.00 C ATOM 22 C LEU A 2 5.280 8.055 -5.630 1.00 0.00 C ATOM 23 O LEU A 2 6.274 7.469 -6.078 1.00 0.00 O ATOM 24 CB LEU A 2 5.607 10.280 -6.810 1.00 0.00 C ATOM 25 CG LEU A 2 4.532 10.105 -7.931 1.00 0.00 C ATOM 26 CD1 LEU A 2 3.211 10.793 -7.548 1.00 0.00 C ATOM 27 CD2 LEU A 2 5.054 10.610 -9.296 1.00 0.00 C ATOM 0 H LEU A 2 7.261 10.117 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 2 4.334 9.910 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.739 11.346 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.557 9.901 -7.186 1.00 0.00 H new ATOM 0 HG LEU A 2 4.332 9.038 -8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 2 2.483 10.654 -8.347 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.826 10.355 -6.627 1.00 0.00 H new ATOM 0 HD13 LEU A 2 3.386 11.858 -7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.282 10.474 -10.054 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.306 11.668 -9.220 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.942 10.045 -9.578 1.00 0.00 H new ATOM 39 N VAL A 3 4.152 7.410 -5.264 1.00 0.00 N ATOM 40 CA VAL A 3 3.964 5.945 -5.411 1.00 0.00 C ATOM 41 C VAL A 3 2.628 5.640 -6.124 1.00 0.00 C ATOM 42 O VAL A 3 1.621 6.320 -5.893 1.00 0.00 O ATOM 43 CB VAL A 3 4.029 5.193 -4.021 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.383 5.434 -3.318 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.848 5.562 -3.092 1.00 0.00 C ATOM 0 H VAL A 3 3.346 7.886 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 3 4.788 5.574 -6.021 1.00 0.00 H new ATOM 0 HB VAL A 3 3.941 4.128 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.398 4.905 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.192 5.066 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.517 6.501 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.941 5.018 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.862 6.634 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.908 5.294 -3.575 1.00 0.00 H new ATOM 55 N THR A 4 2.646 4.634 -7.011 1.00 0.00 N ATOM 56 CA THR A 4 1.465 4.174 -7.752 1.00 0.00 C ATOM 57 C THR A 4 0.498 3.441 -6.811 1.00 0.00 C ATOM 58 O THR A 4 0.772 2.330 -6.399 1.00 0.00 O ATOM 59 CB THR A 4 1.896 3.225 -8.921 1.00 0.00 C ATOM 60 OG1 THR A 4 2.833 3.907 -9.755 1.00 0.00 O ATOM 61 CG2 THR A 4 0.702 2.744 -9.771 1.00 0.00 C ATOM 0 H THR A 4 3.493 4.111 -7.236 1.00 0.00 H new ATOM 0 HA THR A 4 0.957 5.043 -8.171 1.00 0.00 H new ATOM 0 HB THR A 4 2.347 2.339 -8.475 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.108 3.318 -10.488 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.061 2.090 -10.566 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.002 2.197 -9.139 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.198 3.605 -10.210 1.00 0.00 H new ATOM 69 N ILE A 5 -0.604 4.095 -6.436 1.00 0.00 N ATOM 70 CA ILE A 5 -1.662 3.475 -5.608 1.00 0.00 C ATOM 71 C ILE A 5 -2.864 3.077 -6.498 1.00 0.00 C ATOM 72 O ILE A 5 -3.612 3.948 -6.965 1.00 0.00 O ATOM 73 CB ILE A 5 -2.124 4.423 -4.433 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.890 4.931 -3.619 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.137 3.697 -3.503 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.220 5.930 -2.527 1.00 0.00 C ATOM 0 H ILE A 5 -0.795 5.064 -6.692 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.245 2.579 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.625 5.287 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.390 4.073 -3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.180 5.388 -4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.441 4.370 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.013 3.401 -4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.668 2.811 -3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.304 6.226 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.690 6.809 -2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.904 5.474 -1.811 1.00 0.00 H new ATOM 88 N ASN A 6 -2.996 1.750 -6.753 1.00 0.00 N ATOM 89 CA ASN A 6 -4.120 1.131 -7.510 1.00 0.00 C ATOM 90 C ASN A 6 -4.139 1.566 -8.990 1.00 0.00 C ATOM 91 O ASN A 6 -5.205 1.624 -9.626 1.00 0.00 O ATOM 92 CB ASN A 6 -5.479 1.412 -6.811 1.00 0.00 C ATOM 93 CG ASN A 6 -5.600 0.686 -5.474 1.00 0.00 C ATOM 94 OD1 ASN A 6 -5.122 1.159 -4.448 1.00 0.00 O ATOM 95 ND2 ASN A 6 -6.243 -0.468 -5.472 1.00 0.00 N ATOM 0 H ASN A 6 -2.312 1.065 -6.433 1.00 0.00 H new ATOM 0 HA ASN A 6 -3.957 0.053 -7.508 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.589 2.485 -6.651 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.293 1.102 -7.466 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -6.352 -0.989 -4.602 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.630 -0.837 -6.340 1.00 0.00 H new ATOM 102 N GLY A 7 -2.935 1.819 -9.545 1.00 0.00 N ATOM 103 CA GLY A 7 -2.789 2.279 -10.929 1.00 0.00 C ATOM 104 C GLY A 7 -2.855 3.796 -11.061 1.00 0.00 C ATOM 105 O GLY A 7 -2.760 4.330 -12.173 1.00 0.00 O ATOM 0 H GLY A 7 -2.051 1.710 -9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.837 1.926 -11.325 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.573 1.832 -11.540 1.00 0.00 H new ATOM 109 N GLU A 8 -3.002 4.499 -9.923 1.00 0.00 N ATOM 110 CA GLU A 8 -3.009 5.960 -9.866 1.00 0.00 C ATOM 111 C GLU A 8 -1.895 6.432 -8.918 1.00 0.00 C ATOM 112 O GLU A 8 -1.952 6.167 -7.722 1.00 0.00 O ATOM 113 CB GLU A 8 -4.399 6.470 -9.391 1.00 0.00 C ATOM 114 CG GLU A 8 -4.527 8.005 -9.279 1.00 0.00 C ATOM 115 CD GLU A 8 -4.365 8.746 -10.622 1.00 0.00 C ATOM 116 OE1 GLU A 8 -3.217 9.048 -11.018 1.00 0.00 O ATOM 117 OE2 GLU A 8 -5.385 9.031 -11.290 1.00 0.00 O ATOM 0 H GLU A 8 -3.120 4.057 -9.011 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.824 6.369 -10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.159 6.107 -10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.618 6.030 -8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.502 8.248 -8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.776 8.372 -8.580 1.00 0.00 H new ATOM 124 N GLN A 9 -0.896 7.136 -9.466 1.00 0.00 N ATOM 125 CA GLN A 9 0.261 7.628 -8.694 1.00 0.00 C ATOM 126 C GLN A 9 -0.186 8.744 -7.715 1.00 0.00 C ATOM 127 O GLN A 9 -1.108 9.510 -8.023 1.00 0.00 O ATOM 128 CB GLN A 9 1.398 8.120 -9.647 1.00 0.00 C ATOM 129 CG GLN A 9 2.033 7.020 -10.554 1.00 0.00 C ATOM 130 CD GLN A 9 1.123 6.508 -11.692 1.00 0.00 C ATOM 131 OE1 GLN A 9 0.362 5.554 -11.527 1.00 0.00 O ATOM 132 NE2 GLN A 9 1.188 7.145 -12.846 1.00 0.00 N ATOM 0 H GLN A 9 -0.864 7.382 -10.455 1.00 0.00 H new ATOM 0 HA GLN A 9 0.666 6.805 -8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.998 8.908 -10.286 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.187 8.569 -9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.949 7.416 -10.992 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.318 6.174 -9.928 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.826 7.933 -12.959 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.600 6.850 -13.625 1.00 0.00 H new ATOM 141 N ARG A 10 0.448 8.825 -6.527 1.00 0.00 N ATOM 142 CA ARG A 10 0.033 9.766 -5.467 1.00 0.00 C ATOM 143 C ARG A 10 1.224 10.183 -4.596 1.00 0.00 C ATOM 144 O ARG A 10 2.081 9.357 -4.262 1.00 0.00 O ATOM 145 CB ARG A 10 -1.081 9.135 -4.589 1.00 0.00 C ATOM 146 CG ARG A 10 -1.669 10.093 -3.523 1.00 0.00 C ATOM 147 CD ARG A 10 -2.872 9.493 -2.778 1.00 0.00 C ATOM 148 NE ARG A 10 -3.990 9.200 -3.691 1.00 0.00 N ATOM 149 CZ ARG A 10 -5.284 9.072 -3.337 1.00 0.00 C ATOM 150 NH1 ARG A 10 -5.670 9.245 -2.076 1.00 0.00 N ATOM 151 NH2 ARG A 10 -6.186 8.797 -4.270 1.00 0.00 N ATOM 0 H ARG A 10 1.251 8.248 -6.278 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.361 10.661 -5.949 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.888 8.791 -5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.678 8.255 -4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.892 10.347 -2.802 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.973 11.022 -4.005 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.566 8.577 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.205 10.187 -2.007 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.765 9.084 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.982 9.478 -1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.654 9.144 -1.825 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.897 8.685 -5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.169 8.697 -4.016 1.00 0.00 H new ATOM 165 N GLU A 11 1.248 11.476 -4.249 1.00 0.00 N ATOM 166 CA GLU A 11 2.264 12.086 -3.399 1.00 0.00 C ATOM 167 C GLU A 11 1.904 11.829 -1.915 1.00 0.00 C ATOM 168 O GLU A 11 1.016 12.482 -1.351 1.00 0.00 O ATOM 169 CB GLU A 11 2.352 13.603 -3.741 1.00 0.00 C ATOM 170 CG GLU A 11 3.383 14.412 -2.931 1.00 0.00 C ATOM 171 CD GLU A 11 4.795 13.797 -2.947 1.00 0.00 C ATOM 172 OE1 GLU A 11 5.445 13.799 -4.015 1.00 0.00 O ATOM 173 OE2 GLU A 11 5.255 13.304 -1.890 1.00 0.00 O ATOM 0 H GLU A 11 0.540 12.140 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 11 3.246 11.647 -3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.589 13.705 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.369 14.048 -3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.432 15.425 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.041 14.491 -1.899 1.00 0.00 H new ATOM 180 N VAL A 12 2.568 10.820 -1.317 1.00 0.00 N ATOM 181 CA VAL A 12 2.336 10.383 0.079 1.00 0.00 C ATOM 182 C VAL A 12 3.638 10.486 0.893 1.00 0.00 C ATOM 183 O VAL A 12 4.727 10.505 0.333 1.00 0.00 O ATOM 184 CB VAL A 12 1.781 8.901 0.146 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.464 8.756 -0.656 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.837 7.860 -0.313 1.00 0.00 C ATOM 0 H VAL A 12 3.289 10.278 -1.793 1.00 0.00 H new ATOM 0 HA VAL A 12 1.583 11.045 0.507 1.00 0.00 H new ATOM 0 HB VAL A 12 1.560 8.691 1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.109 7.727 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.289 9.427 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.644 9.011 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.412 6.858 -0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.128 8.067 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.714 7.923 0.331 1.00 0.00 H new ATOM 196 N GLN A 13 3.506 10.555 2.222 1.00 0.00 N ATOM 197 CA GLN A 13 4.649 10.498 3.165 1.00 0.00 C ATOM 198 C GLN A 13 4.598 9.192 3.979 1.00 0.00 C ATOM 199 O GLN A 13 5.362 9.021 4.935 1.00 0.00 O ATOM 200 CB GLN A 13 4.634 11.744 4.104 1.00 0.00 C ATOM 201 CG GLN A 13 4.813 13.094 3.374 1.00 0.00 C ATOM 202 CD GLN A 13 6.165 13.258 2.650 1.00 0.00 C ATOM 203 OE1 GLN A 13 6.238 13.881 1.591 1.00 0.00 O ATOM 204 NE2 GLN A 13 7.250 12.758 3.234 1.00 0.00 N ATOM 0 H GLN A 13 2.602 10.653 2.685 1.00 0.00 H new ATOM 0 HA GLN A 13 5.580 10.511 2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.690 11.762 4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.428 11.636 4.843 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.010 13.208 2.646 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.703 13.901 4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.166 12.245 4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.166 12.888 2.804 1.00 0.00 H new ATOM 213 N SER A 14 3.702 8.270 3.576 1.00 0.00 N ATOM 214 CA SER A 14 3.552 6.955 4.207 1.00 0.00 C ATOM 215 C SER A 14 4.731 6.040 3.832 1.00 0.00 C ATOM 216 O SER A 14 4.727 5.392 2.781 1.00 0.00 O ATOM 217 CB SER A 14 2.227 6.313 3.774 1.00 0.00 C ATOM 218 OG SER A 14 1.120 7.096 4.178 1.00 0.00 O ATOM 0 H SER A 14 3.060 8.423 2.798 1.00 0.00 H new ATOM 0 HA SER A 14 3.546 7.086 5.289 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.215 6.194 2.691 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.146 5.315 4.205 1.00 0.00 H new ATOM 0 HG SER A 14 0.524 7.239 3.413 1.00 0.00 H new ATOM 224 N ALA A 15 5.747 6.033 4.708 1.00 0.00 N ATOM 225 CA ALA A 15 6.938 5.162 4.583 1.00 0.00 C ATOM 226 C ALA A 15 6.621 3.708 5.002 1.00 0.00 C ATOM 227 O ALA A 15 7.484 2.843 4.907 1.00 0.00 O ATOM 228 CB ALA A 15 8.105 5.740 5.407 1.00 0.00 C ATOM 0 H ALA A 15 5.771 6.634 5.532 1.00 0.00 H new ATOM 0 HA ALA A 15 7.235 5.135 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.976 5.092 5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.351 6.737 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.815 5.801 6.456 1.00 0.00 H new ATOM 234 N SER A 16 5.384 3.467 5.466 1.00 0.00 N ATOM 235 CA SER A 16 4.870 2.135 5.824 1.00 0.00 C ATOM 236 C SER A 16 3.516 1.902 5.135 1.00 0.00 C ATOM 237 O SER A 16 2.741 2.855 4.919 1.00 0.00 O ATOM 238 CB SER A 16 4.705 2.026 7.360 1.00 0.00 C ATOM 239 OG SER A 16 4.135 0.778 7.754 1.00 0.00 O ATOM 0 H SER A 16 4.698 4.209 5.606 1.00 0.00 H new ATOM 0 HA SER A 16 5.579 1.377 5.491 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.677 2.146 7.838 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.073 2.840 7.714 1.00 0.00 H new ATOM 0 HG SER A 16 4.815 0.235 8.204 1.00 0.00 H new ATOM 245 N VAL A 17 3.238 0.627 4.808 1.00 0.00 N ATOM 246 CA VAL A 17 1.976 0.199 4.179 1.00 0.00 C ATOM 247 C VAL A 17 0.785 0.400 5.152 1.00 0.00 C ATOM 248 O VAL A 17 -0.328 0.726 4.719 1.00 0.00 O ATOM 249 CB VAL A 17 2.055 -1.306 3.709 1.00 0.00 C ATOM 250 CG1 VAL A 17 0.761 -1.755 3.000 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.287 -1.565 2.809 1.00 0.00 C ATOM 0 H VAL A 17 3.888 -0.141 4.974 1.00 0.00 H new ATOM 0 HA VAL A 17 1.815 0.820 3.298 1.00 0.00 H new ATOM 0 HB VAL A 17 2.168 -1.907 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.857 -2.796 2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.082 -1.655 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.592 -1.132 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.304 -2.612 2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.229 -0.933 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.197 -1.332 3.362 1.00 0.00 H new ATOM 261 N ALA A 18 1.047 0.225 6.471 1.00 0.00 N ATOM 262 CA ALA A 18 0.041 0.437 7.541 1.00 0.00 C ATOM 263 C ALA A 18 -0.470 1.878 7.540 1.00 0.00 C ATOM 264 O ALA A 18 -1.682 2.113 7.486 1.00 0.00 O ATOM 265 CB ALA A 18 0.631 0.086 8.911 1.00 0.00 C ATOM 0 H ALA A 18 1.959 -0.066 6.822 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.803 -0.224 7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.121 0.248 9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.939 -0.960 8.917 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.495 0.720 9.108 1.00 0.00 H new ATOM 271 N ALA A 19 0.479 2.833 7.560 1.00 0.00 N ATOM 272 CA ALA A 19 0.174 4.274 7.545 1.00 0.00 C ATOM 273 C ALA A 19 -0.588 4.668 6.277 1.00 0.00 C ATOM 274 O ALA A 19 -1.480 5.518 6.330 1.00 0.00 O ATOM 275 CB ALA A 19 1.463 5.099 7.660 1.00 0.00 C ATOM 0 H ALA A 19 1.477 2.626 7.587 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.461 4.486 8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.218 6.161 7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.969 4.855 8.594 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.119 4.868 6.821 1.00 0.00 H new ATOM 281 N LEU A 20 -0.228 4.029 5.148 1.00 0.00 N ATOM 282 CA LEU A 20 -0.831 4.325 3.844 1.00 0.00 C ATOM 283 C LEU A 20 -2.297 3.866 3.785 1.00 0.00 C ATOM 284 O LEU A 20 -3.181 4.671 3.493 1.00 0.00 O ATOM 285 CB LEU A 20 -0.003 3.693 2.690 1.00 0.00 C ATOM 286 CG LEU A 20 -0.394 4.151 1.243 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.519 5.692 1.141 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.615 3.614 0.204 1.00 0.00 C ATOM 0 H LEU A 20 0.484 3.299 5.118 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.819 5.407 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.049 3.926 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.102 2.609 2.747 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.374 3.728 1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.791 5.968 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.288 6.041 1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.435 6.152 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.322 3.945 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.611 3.993 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.625 2.525 0.236 1.00 0.00 H new ATOM 300 N MET A 21 -2.546 2.585 4.101 1.00 0.00 N ATOM 301 CA MET A 21 -3.892 1.990 3.992 1.00 0.00 C ATOM 302 C MET A 21 -4.850 2.560 5.058 1.00 0.00 C ATOM 303 O MET A 21 -6.034 2.724 4.782 1.00 0.00 O ATOM 304 CB MET A 21 -3.826 0.443 4.069 1.00 0.00 C ATOM 305 CG MET A 21 -3.017 -0.204 2.934 1.00 0.00 C ATOM 306 SD MET A 21 -3.309 -1.975 2.811 1.00 0.00 S ATOM 307 CE MET A 21 -5.033 -2.025 2.308 1.00 0.00 C ATOM 0 H MET A 21 -1.832 1.938 4.435 1.00 0.00 H new ATOM 0 HA MET A 21 -4.292 2.260 3.015 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.387 0.155 5.024 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.840 0.045 4.051 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.278 0.271 1.988 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.955 -0.024 3.099 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.235 -2.965 1.794 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.671 -1.949 3.188 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.240 -1.192 1.636 1.00 0.00 H new ATOM 317 N THR A 22 -4.327 2.871 6.261 1.00 0.00 N ATOM 318 CA THR A 22 -5.122 3.522 7.333 1.00 0.00 C ATOM 319 C THR A 22 -5.485 4.979 6.941 1.00 0.00 C ATOM 320 O THR A 22 -6.594 5.442 7.233 1.00 0.00 O ATOM 321 CB THR A 22 -4.372 3.476 8.715 1.00 0.00 C ATOM 322 OG1 THR A 22 -4.095 2.110 9.057 1.00 0.00 O ATOM 323 CG2 THR A 22 -5.183 4.118 9.862 1.00 0.00 C ATOM 0 H THR A 22 -3.358 2.684 6.519 1.00 0.00 H new ATOM 0 HA THR A 22 -6.049 2.961 7.447 1.00 0.00 H new ATOM 0 HB THR A 22 -3.454 4.052 8.599 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.264 1.826 8.623 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.614 4.056 10.789 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.380 5.164 9.627 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.128 3.588 9.980 1.00 0.00 H new ATOM 331 N GLU A 23 -4.557 5.673 6.245 1.00 0.00 N ATOM 332 CA GLU A 23 -4.805 7.033 5.697 1.00 0.00 C ATOM 333 C GLU A 23 -5.939 6.989 4.658 1.00 0.00 C ATOM 334 O GLU A 23 -6.887 7.782 4.710 1.00 0.00 O ATOM 335 CB GLU A 23 -3.511 7.614 5.059 1.00 0.00 C ATOM 336 CG GLU A 23 -3.711 8.921 4.262 1.00 0.00 C ATOM 337 CD GLU A 23 -2.403 9.486 3.705 1.00 0.00 C ATOM 338 OE1 GLU A 23 -1.964 9.043 2.616 1.00 0.00 O ATOM 339 OE2 GLU A 23 -1.795 10.354 4.368 1.00 0.00 O ATOM 0 H GLU A 23 -3.623 5.314 6.047 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.105 7.685 6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.783 7.795 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.081 6.863 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.401 8.736 3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.177 9.666 4.907 1.00 0.00 H new ATOM 346 N LEU A 24 -5.835 6.011 3.750 1.00 0.00 N ATOM 347 CA LEU A 24 -6.812 5.779 2.672 1.00 0.00 C ATOM 348 C LEU A 24 -8.100 5.110 3.210 1.00 0.00 C ATOM 349 O LEU A 24 -9.079 4.971 2.474 1.00 0.00 O ATOM 350 CB LEU A 24 -6.125 4.929 1.566 1.00 0.00 C ATOM 351 CG LEU A 24 -4.828 5.560 0.953 1.00 0.00 C ATOM 352 CD1 LEU A 24 -4.093 4.583 0.020 1.00 0.00 C ATOM 353 CD2 LEU A 24 -5.124 6.886 0.235 1.00 0.00 C ATOM 0 H LEU A 24 -5.060 5.348 3.741 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.128 6.731 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.874 3.953 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.842 4.758 0.763 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.163 5.774 1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.201 5.064 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.805 3.693 0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.752 4.298 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.199 7.291 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.835 6.712 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.548 7.597 0.944 1.00 0.00 H new ATOM 365 N ASP A 25 -8.060 4.696 4.504 1.00 0.00 N ATOM 366 CA ASP A 25 -9.209 4.154 5.260 1.00 0.00 C ATOM 367 C ASP A 25 -9.733 2.856 4.590 1.00 0.00 C ATOM 368 O ASP A 25 -10.905 2.725 4.216 1.00 0.00 O ATOM 369 CB ASP A 25 -10.303 5.255 5.465 1.00 0.00 C ATOM 370 CG ASP A 25 -11.378 4.889 6.515 1.00 0.00 C ATOM 371 OD1 ASP A 25 -11.083 4.932 7.729 1.00 0.00 O ATOM 372 OD2 ASP A 25 -12.522 4.554 6.136 1.00 0.00 O ATOM 0 H ASP A 25 -7.205 4.733 5.059 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.889 3.866 6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.817 6.183 5.766 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.793 5.447 4.511 1.00 0.00 H new ATOM 377 N CYS A 26 -8.793 1.916 4.415 1.00 0.00 N ATOM 378 CA CYS A 26 -9.029 0.589 3.823 1.00 0.00 C ATOM 379 C CYS A 26 -8.812 -0.525 4.870 1.00 0.00 C ATOM 380 O CYS A 26 -8.428 -1.647 4.527 1.00 0.00 O ATOM 381 CB CYS A 26 -8.068 0.426 2.621 1.00 0.00 C ATOM 382 SG CYS A 26 -8.092 1.820 1.471 1.00 0.00 S ATOM 0 H CYS A 26 -7.821 2.061 4.688 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.061 0.505 3.483 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.053 0.294 2.995 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -8.329 -0.483 2.080 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.240 1.379 0.257 1.00 0.00 H new ATOM 388 N THR A 27 -9.076 -0.210 6.151 1.00 0.00 N ATOM 389 CA THR A 27 -8.911 -1.167 7.264 1.00 0.00 C ATOM 390 C THR A 27 -10.235 -1.902 7.569 1.00 0.00 C ATOM 391 O THR A 27 -10.237 -2.937 8.230 1.00 0.00 O ATOM 392 CB THR A 27 -8.402 -0.441 8.548 1.00 0.00 C ATOM 393 OG1 THR A 27 -9.364 0.542 8.956 1.00 0.00 O ATOM 394 CG2 THR A 27 -7.037 0.239 8.320 1.00 0.00 C ATOM 0 H THR A 27 -9.408 0.709 6.444 1.00 0.00 H new ATOM 0 HA THR A 27 -8.169 -1.903 6.956 1.00 0.00 H new ATOM 0 HB THR A 27 -8.275 -1.192 9.328 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.045 0.997 9.763 1.00 0.00 H new ATOM 0 HG21 THR A 27 -6.719 0.733 9.238 1.00 0.00 H new ATOM 0 HG22 THR A 27 -6.299 -0.512 8.037 1.00 0.00 H new ATOM 0 HG23 THR A 27 -7.127 0.977 7.523 1.00 0.00 H new ATOM 402 N ASP A 28 -11.350 -1.355 7.073 1.00 0.00 N ATOM 403 CA ASP A 28 -12.711 -1.919 7.281 1.00 0.00 C ATOM 404 C ASP A 28 -12.936 -3.188 6.422 1.00 0.00 C ATOM 405 O ASP A 28 -12.044 -3.585 5.663 1.00 0.00 O ATOM 406 CB ASP A 28 -13.778 -0.849 6.926 1.00 0.00 C ATOM 407 CG ASP A 28 -13.791 -0.476 5.423 1.00 0.00 C ATOM 408 OD1 ASP A 28 -12.805 0.120 4.934 1.00 0.00 O ATOM 409 OD2 ASP A 28 -14.789 -0.761 4.730 1.00 0.00 O ATOM 0 H ASP A 28 -11.346 -0.504 6.511 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.804 -2.202 8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.763 -1.219 7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.593 0.049 7.515 1.00 0.00 H new ATOM 414 N GLY A 29 -14.118 -3.826 6.598 1.00 0.00 N ATOM 415 CA GLY A 29 -14.572 -4.943 5.754 1.00 0.00 C ATOM 416 C GLY A 29 -13.554 -6.072 5.620 1.00 0.00 C ATOM 417 O GLY A 29 -13.268 -6.777 6.597 1.00 0.00 O ATOM 0 H GLY A 29 -14.780 -3.575 7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.495 -5.347 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.809 -4.562 4.761 1.00 0.00 H new ATOM 421 N HIS A 30 -13.034 -6.225 4.396 1.00 0.00 N ATOM 422 CA HIS A 30 -11.894 -7.091 4.056 1.00 0.00 C ATOM 423 C HIS A 30 -11.136 -6.424 2.904 1.00 0.00 C ATOM 424 O HIS A 30 -11.633 -6.409 1.777 1.00 0.00 O ATOM 425 CB HIS A 30 -12.330 -8.527 3.629 1.00 0.00 C ATOM 426 CG HIS A 30 -12.855 -9.402 4.740 1.00 0.00 C ATOM 427 ND1 HIS A 30 -12.041 -10.201 5.508 1.00 0.00 N ATOM 428 CD2 HIS A 30 -14.114 -9.606 5.207 1.00 0.00 C ATOM 429 CE1 HIS A 30 -12.764 -10.849 6.390 1.00 0.00 C ATOM 430 NE2 HIS A 30 -14.025 -10.510 6.235 1.00 0.00 N ATOM 0 H HIS A 30 -13.408 -5.732 3.585 1.00 0.00 H new ATOM 0 HA HIS A 30 -11.270 -7.207 4.942 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -13.100 -8.441 2.862 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -11.477 -9.026 3.169 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -15.017 -9.143 4.838 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.386 -11.546 7.123 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -14.807 -10.861 6.788 1.00 0.00 H new ATOM 439 N TYR A 31 -9.970 -5.812 3.197 1.00 0.00 N ATOM 440 CA TYR A 31 -9.095 -5.202 2.165 1.00 0.00 C ATOM 441 C TYR A 31 -7.637 -5.603 2.411 1.00 0.00 C ATOM 442 O TYR A 31 -7.152 -5.567 3.545 1.00 0.00 O ATOM 443 CB TYR A 31 -9.232 -3.649 2.124 1.00 0.00 C ATOM 444 CG TYR A 31 -10.650 -3.166 1.785 1.00 0.00 C ATOM 445 CD1 TYR A 31 -11.091 -3.073 0.466 1.00 0.00 C ATOM 446 CD2 TYR A 31 -11.562 -2.846 2.788 1.00 0.00 C ATOM 447 CE1 TYR A 31 -12.386 -2.681 0.168 1.00 0.00 C ATOM 448 CE2 TYR A 31 -12.849 -2.450 2.493 1.00 0.00 C ATOM 449 CZ TYR A 31 -13.257 -2.372 1.183 1.00 0.00 C ATOM 450 OH TYR A 31 -14.551 -2.002 0.889 1.00 0.00 O ATOM 0 H TYR A 31 -9.607 -5.725 4.146 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.416 -5.580 1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.940 -3.241 3.092 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.535 -3.250 1.387 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.411 -3.311 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.254 -2.910 3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.709 -2.619 -0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -13.535 -2.202 3.289 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.036 -1.818 1.721 1.00 0.00 H new ATOM 460 N ALA A 32 -6.961 -5.993 1.328 1.00 0.00 N ATOM 461 CA ALA A 32 -5.541 -6.367 1.317 1.00 0.00 C ATOM 462 C ALA A 32 -4.771 -5.376 0.437 1.00 0.00 C ATOM 463 O ALA A 32 -5.340 -4.390 -0.047 1.00 0.00 O ATOM 464 CB ALA A 32 -5.379 -7.807 0.807 1.00 0.00 C ATOM 0 H ALA A 32 -7.396 -6.060 0.408 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.137 -6.326 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.322 -8.075 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.923 -8.488 1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.776 -7.881 -0.205 1.00 0.00 H new ATOM 470 N VAL A 33 -3.478 -5.633 0.242 1.00 0.00 N ATOM 471 CA VAL A 33 -2.604 -4.782 -0.577 1.00 0.00 C ATOM 472 C VAL A 33 -1.572 -5.642 -1.316 1.00 0.00 C ATOM 473 O VAL A 33 -1.263 -6.752 -0.888 1.00 0.00 O ATOM 474 CB VAL A 33 -1.895 -3.716 0.328 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.080 -4.403 1.430 1.00 0.00 C ATOM 476 CG2 VAL A 33 -1.036 -2.718 -0.480 1.00 0.00 C ATOM 0 H VAL A 33 -3.002 -6.439 0.647 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.207 -4.259 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.678 -3.122 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.595 -3.648 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.743 -5.008 2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.322 -5.042 0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.570 -2.005 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.262 -3.260 -1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.669 -2.184 -1.189 1.00 0.00 H new ATOM 486 N ALA A 34 -1.057 -5.118 -2.432 1.00 0.00 N ATOM 487 CA ALA A 34 -0.014 -5.753 -3.221 1.00 0.00 C ATOM 488 C ALA A 34 1.069 -4.723 -3.535 1.00 0.00 C ATOM 489 O ALA A 34 0.894 -3.897 -4.425 1.00 0.00 O ATOM 490 CB ALA A 34 -0.612 -6.351 -4.502 1.00 0.00 C ATOM 0 H ALA A 34 -1.364 -4.223 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 34 0.437 -6.570 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.178 -6.824 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.365 -7.095 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.074 -5.559 -5.092 1.00 0.00 H new ATOM 496 N LEU A 35 2.186 -4.795 -2.797 1.00 0.00 N ATOM 497 CA LEU A 35 3.318 -3.863 -2.947 1.00 0.00 C ATOM 498 C LEU A 35 4.238 -4.408 -4.048 1.00 0.00 C ATOM 499 O LEU A 35 4.807 -5.499 -3.894 1.00 0.00 O ATOM 500 CB LEU A 35 4.088 -3.743 -1.599 1.00 0.00 C ATOM 501 CG LEU A 35 5.328 -2.789 -1.594 1.00 0.00 C ATOM 502 CD1 LEU A 35 4.914 -1.317 -1.758 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.178 -2.991 -0.328 1.00 0.00 C ATOM 0 H LEU A 35 2.332 -5.502 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 35 2.962 -2.870 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.390 -3.401 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.420 -4.738 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 35 5.943 -3.050 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.803 -0.686 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.388 -1.190 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.258 -1.030 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.033 -2.315 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.573 -2.780 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.531 -4.021 -0.288 1.00 0.00 H new ATOM 515 N ASN A 36 4.340 -3.649 -5.164 1.00 0.00 N ATOM 516 CA ASN A 36 5.005 -4.093 -6.413 1.00 0.00 C ATOM 517 C ASN A 36 4.375 -5.404 -6.936 1.00 0.00 C ATOM 518 O ASN A 36 5.068 -6.263 -7.493 1.00 0.00 O ATOM 519 CB ASN A 36 6.554 -4.204 -6.216 1.00 0.00 C ATOM 520 CG ASN A 36 7.208 -2.850 -5.934 1.00 0.00 C ATOM 521 OD1 ASN A 36 6.758 -1.822 -6.430 1.00 0.00 O ATOM 522 ND2 ASN A 36 8.267 -2.830 -5.138 1.00 0.00 N ATOM 0 H ASN A 36 3.960 -2.704 -5.224 1.00 0.00 H new ATOM 0 HA ASN A 36 4.842 -3.337 -7.181 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.764 -4.884 -5.391 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.000 -4.640 -7.110 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.728 -1.945 -4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.621 -3.699 -4.738 1.00 0.00 H new ATOM 529 N TYR A 37 3.026 -5.505 -6.753 1.00 0.00 N ATOM 530 CA TYR A 37 2.171 -6.657 -7.159 1.00 0.00 C ATOM 531 C TYR A 37 2.347 -7.893 -6.249 1.00 0.00 C ATOM 532 O TYR A 37 1.651 -8.899 -6.435 1.00 0.00 O ATOM 533 CB TYR A 37 2.334 -7.025 -8.667 1.00 0.00 C ATOM 534 CG TYR A 37 2.039 -5.849 -9.606 1.00 0.00 C ATOM 535 CD1 TYR A 37 0.745 -5.344 -9.726 1.00 0.00 C ATOM 536 CD2 TYR A 37 3.054 -5.216 -10.333 1.00 0.00 C ATOM 537 CE1 TYR A 37 0.480 -4.264 -10.539 1.00 0.00 C ATOM 538 CE2 TYR A 37 2.788 -4.128 -11.138 1.00 0.00 C ATOM 539 CZ TYR A 37 1.498 -3.659 -11.238 1.00 0.00 C ATOM 540 OH TYR A 37 1.230 -2.567 -12.031 1.00 0.00 O ATOM 0 H TYR A 37 2.489 -4.763 -6.305 1.00 0.00 H new ATOM 0 HA TYR A 37 1.145 -6.316 -7.023 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.351 -7.376 -8.842 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.666 -7.852 -8.908 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.060 -5.806 -9.174 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.066 -5.587 -10.262 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.530 -3.891 -10.628 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.586 -3.648 -11.685 1.00 0.00 H new ATOM 0 HH TYR A 37 2.058 -2.259 -12.454 1.00 0.00 H new ATOM 550 N ASP A 38 3.253 -7.803 -5.256 1.00 0.00 N ATOM 551 CA ASP A 38 3.461 -8.856 -4.246 1.00 0.00 C ATOM 552 C ASP A 38 2.643 -8.507 -2.993 1.00 0.00 C ATOM 553 O ASP A 38 2.846 -7.447 -2.404 1.00 0.00 O ATOM 554 CB ASP A 38 4.969 -8.983 -3.907 1.00 0.00 C ATOM 555 CG ASP A 38 5.280 -10.001 -2.794 1.00 0.00 C ATOM 556 OD1 ASP A 38 4.698 -11.106 -2.796 1.00 0.00 O ATOM 557 OD2 ASP A 38 6.107 -9.694 -1.908 1.00 0.00 O ATOM 0 H ASP A 38 3.863 -6.995 -5.132 1.00 0.00 H new ATOM 0 HA ASP A 38 3.127 -9.817 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.510 -9.270 -4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.346 -8.006 -3.606 1.00 0.00 H new ATOM 562 N VAL A 39 1.738 -9.413 -2.586 1.00 0.00 N ATOM 563 CA VAL A 39 0.738 -9.151 -1.532 1.00 0.00 C ATOM 564 C VAL A 39 1.388 -9.048 -0.140 1.00 0.00 C ATOM 565 O VAL A 39 2.213 -9.888 0.226 1.00 0.00 O ATOM 566 CB VAL A 39 -0.373 -10.269 -1.523 1.00 0.00 C ATOM 567 CG1 VAL A 39 -1.458 -9.992 -0.453 1.00 0.00 C ATOM 568 CG2 VAL A 39 -1.006 -10.419 -2.923 1.00 0.00 C ATOM 0 H VAL A 39 1.678 -10.352 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 39 0.276 -8.191 -1.761 1.00 0.00 H new ATOM 0 HB VAL A 39 0.110 -11.210 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.205 -10.785 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.996 -9.961 0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.937 -9.035 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.770 -11.196 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.460 -9.474 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.235 -10.694 -3.643 1.00 0.00 H new ATOM 578 N VAL A 40 1.014 -8.003 0.621 1.00 0.00 N ATOM 579 CA VAL A 40 1.446 -7.823 2.020 1.00 0.00 C ATOM 580 C VAL A 40 0.293 -8.249 2.970 1.00 0.00 C ATOM 581 O VAL A 40 -0.828 -7.740 2.824 1.00 0.00 O ATOM 582 CB VAL A 40 1.834 -6.326 2.330 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.430 -6.172 3.749 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.783 -5.757 1.260 1.00 0.00 C ATOM 0 H VAL A 40 0.403 -7.259 0.283 1.00 0.00 H new ATOM 0 HA VAL A 40 2.329 -8.442 2.177 1.00 0.00 H new ATOM 0 HB VAL A 40 0.914 -5.742 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.685 -5.127 3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.698 -6.497 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.328 -6.784 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.030 -4.724 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.696 -6.351 1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.296 -5.792 0.286 1.00 0.00 H new ATOM 594 N PRO A 41 0.536 -9.210 3.931 1.00 0.00 N ATOM 595 CA PRO A 41 -0.438 -9.536 5.005 1.00 0.00 C ATOM 596 C PRO A 41 -0.661 -8.336 5.960 1.00 0.00 C ATOM 597 O PRO A 41 0.234 -7.500 6.113 1.00 0.00 O ATOM 598 CB PRO A 41 0.215 -10.732 5.760 1.00 0.00 C ATOM 599 CG PRO A 41 1.309 -11.233 4.864 1.00 0.00 C ATOM 600 CD PRO A 41 1.754 -10.049 4.033 1.00 0.00 C ATOM 0 HA PRO A 41 -1.423 -9.775 4.605 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.613 -10.415 6.724 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.517 -11.515 5.959 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.138 -11.631 5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.950 -12.042 4.227 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.572 -9.510 4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.108 -10.361 3.050 1.00 0.00 H new ATOM 608 N ARG A 42 -1.833 -8.293 6.617 1.00 0.00 N ATOM 609 CA ARG A 42 -2.259 -7.157 7.459 1.00 0.00 C ATOM 610 C ARG A 42 -1.349 -6.968 8.683 1.00 0.00 C ATOM 611 O ARG A 42 -0.939 -5.840 8.997 1.00 0.00 O ATOM 612 CB ARG A 42 -3.719 -7.332 7.918 1.00 0.00 C ATOM 613 CG ARG A 42 -4.263 -6.133 8.714 1.00 0.00 C ATOM 614 CD ARG A 42 -5.671 -6.372 9.254 1.00 0.00 C ATOM 615 NE ARG A 42 -5.729 -7.458 10.248 1.00 0.00 N ATOM 616 CZ ARG A 42 -6.724 -7.645 11.132 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.781 -6.824 11.173 1.00 0.00 N ATOM 618 NH2 ARG A 42 -6.656 -8.663 11.978 1.00 0.00 N ATOM 0 H ARG A 42 -2.517 -9.049 6.580 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.180 -6.262 6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.349 -7.493 7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.793 -8.229 8.533 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.591 -5.920 9.545 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.269 -5.250 8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.042 -5.452 9.707 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.337 -6.610 8.425 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.953 -8.120 10.267 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.842 -6.038 10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.525 -6.984 11.852 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.855 -9.294 11.953 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.405 -8.816 12.654 1.00 0.00 H new ATOM 632 N GLY A 43 -1.020 -8.097 9.339 1.00 0.00 N ATOM 633 CA GLY A 43 -0.081 -8.112 10.466 1.00 0.00 C ATOM 634 C GLY A 43 1.357 -7.780 10.059 1.00 0.00 C ATOM 635 O GLY A 43 2.240 -7.704 10.914 1.00 0.00 O ATOM 0 H GLY A 43 -1.396 -9.015 9.102 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.414 -7.395 11.217 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.101 -9.096 10.934 1.00 0.00 H new ATOM 639 N LYS A 44 1.587 -7.605 8.743 1.00 0.00 N ATOM 640 CA LYS A 44 2.880 -7.217 8.180 1.00 0.00 C ATOM 641 C LYS A 44 2.863 -5.813 7.540 1.00 0.00 C ATOM 642 O LYS A 44 3.938 -5.319 7.188 1.00 0.00 O ATOM 643 CB LYS A 44 3.293 -8.267 7.123 1.00 0.00 C ATOM 644 CG LYS A 44 3.564 -9.673 7.693 1.00 0.00 C ATOM 645 CD LYS A 44 4.729 -9.666 8.696 1.00 0.00 C ATOM 646 CE LYS A 44 5.059 -11.039 9.272 1.00 0.00 C ATOM 647 NZ LYS A 44 6.175 -10.943 10.255 1.00 0.00 N ATOM 0 H LYS A 44 0.863 -7.733 8.036 1.00 0.00 H new ATOM 0 HA LYS A 44 3.600 -7.177 8.998 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.506 -8.338 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.190 -7.917 6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.665 -10.047 8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.791 -10.359 6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.616 -9.267 8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.486 -8.989 9.515 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.177 -11.458 9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.334 -11.720 8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.229 -11.824 10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.072 -10.795 9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.004 -10.143 10.897 1.00 0.00 H new ATOM 661 N TRP A 45 1.665 -5.172 7.378 1.00 0.00 N ATOM 662 CA TRP A 45 1.556 -3.804 6.761 1.00 0.00 C ATOM 663 C TRP A 45 2.512 -2.800 7.454 1.00 0.00 C ATOM 664 O TRP A 45 3.137 -1.951 6.800 1.00 0.00 O ATOM 665 CB TRP A 45 0.100 -3.235 6.825 1.00 0.00 C ATOM 666 CG TRP A 45 -0.944 -3.913 5.969 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.757 -4.849 5.000 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.362 -3.656 5.999 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.965 -5.233 4.467 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.963 -4.499 5.049 1.00 0.00 C ATOM 671 CE3 TRP A 45 -3.180 -2.798 6.745 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -4.336 -4.520 4.831 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.546 -2.813 6.525 1.00 0.00 C ATOM 674 CH2 TRP A 45 -5.112 -3.670 5.573 1.00 0.00 C ATOM 0 H TRP A 45 0.770 -5.572 7.661 1.00 0.00 H new ATOM 0 HA TRP A 45 1.837 -3.923 5.715 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.234 -3.277 7.862 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.136 -2.182 6.544 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.204 -5.236 4.693 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -2.096 -5.949 3.753 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.751 -2.134 7.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.775 -5.184 4.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.185 -2.155 7.095 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.181 -3.660 5.421 1.00 0.00 H new ATOM 685 N ASP A 46 2.598 -2.924 8.787 1.00 0.00 N ATOM 686 CA ASP A 46 3.459 -2.081 9.630 1.00 0.00 C ATOM 687 C ASP A 46 4.946 -2.430 9.422 1.00 0.00 C ATOM 688 O ASP A 46 5.782 -1.536 9.302 1.00 0.00 O ATOM 689 CB ASP A 46 3.045 -2.225 11.129 1.00 0.00 C ATOM 690 CG ASP A 46 3.340 -3.612 11.738 1.00 0.00 C ATOM 691 OD1 ASP A 46 2.873 -4.623 11.174 1.00 0.00 O ATOM 692 OD2 ASP A 46 4.032 -3.696 12.781 1.00 0.00 O ATOM 0 H ASP A 46 2.068 -3.618 9.314 1.00 0.00 H new ATOM 0 HA ASP A 46 3.326 -1.040 9.336 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.567 -1.466 11.713 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.978 -2.020 11.221 1.00 0.00 H new ATOM 697 N GLU A 47 5.238 -3.745 9.336 1.00 0.00 N ATOM 698 CA GLU A 47 6.604 -4.289 9.153 1.00 0.00 C ATOM 699 C GLU A 47 7.136 -4.089 7.722 1.00 0.00 C ATOM 700 O GLU A 47 8.330 -4.288 7.476 1.00 0.00 O ATOM 701 CB GLU A 47 6.630 -5.804 9.503 1.00 0.00 C ATOM 702 CG GLU A 47 6.364 -6.134 10.987 1.00 0.00 C ATOM 703 CD GLU A 47 6.505 -7.635 11.299 1.00 0.00 C ATOM 704 OE1 GLU A 47 7.626 -8.171 11.170 1.00 0.00 O ATOM 705 OE2 GLU A 47 5.504 -8.290 11.659 1.00 0.00 O ATOM 0 H GLU A 47 4.523 -4.470 9.392 1.00 0.00 H new ATOM 0 HA GLU A 47 7.255 -3.734 9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.885 -6.315 8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.603 -6.209 9.225 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.059 -5.571 11.610 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.360 -5.805 11.253 1.00 0.00 H new ATOM 712 N THR A 48 6.258 -3.708 6.789 1.00 0.00 N ATOM 713 CA THR A 48 6.614 -3.564 5.376 1.00 0.00 C ATOM 714 C THR A 48 6.730 -2.066 5.018 1.00 0.00 C ATOM 715 O THR A 48 5.740 -1.331 5.124 1.00 0.00 O ATOM 716 CB THR A 48 5.567 -4.279 4.476 1.00 0.00 C ATOM 717 OG1 THR A 48 5.441 -5.644 4.899 1.00 0.00 O ATOM 718 CG2 THR A 48 5.955 -4.256 2.990 1.00 0.00 C ATOM 0 H THR A 48 5.282 -3.491 6.993 1.00 0.00 H new ATOM 0 HA THR A 48 7.580 -4.037 5.199 1.00 0.00 H new ATOM 0 HB THR A 48 4.624 -3.743 4.581 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.903 -5.685 5.717 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.190 -4.768 2.406 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.038 -3.223 2.652 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.912 -4.760 2.856 1.00 0.00 H new ATOM 726 N PRO A 49 7.963 -1.579 4.648 1.00 0.00 N ATOM 727 CA PRO A 49 8.166 -0.187 4.194 1.00 0.00 C ATOM 728 C PRO A 49 7.708 0.045 2.728 1.00 0.00 C ATOM 729 O PRO A 49 7.570 -0.901 1.941 1.00 0.00 O ATOM 730 CB PRO A 49 9.695 0.004 4.360 1.00 0.00 C ATOM 731 CG PRO A 49 10.276 -1.358 4.144 1.00 0.00 C ATOM 732 CD PRO A 49 9.252 -2.336 4.690 1.00 0.00 C ATOM 0 HA PRO A 49 7.572 0.530 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.085 0.720 3.636 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.941 0.386 5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.464 -1.539 3.086 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.230 -1.462 4.660 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.203 -3.241 4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.499 -2.646 5.705 1.00 0.00 H new ATOM 740 N VAL A 50 7.452 1.320 2.394 1.00 0.00 N ATOM 741 CA VAL A 50 7.122 1.776 1.035 1.00 0.00 C ATOM 742 C VAL A 50 8.203 2.778 0.594 1.00 0.00 C ATOM 743 O VAL A 50 8.640 3.611 1.394 1.00 0.00 O ATOM 744 CB VAL A 50 5.699 2.469 0.972 1.00 0.00 C ATOM 745 CG1 VAL A 50 5.388 2.997 -0.443 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.585 1.516 1.454 1.00 0.00 C ATOM 0 H VAL A 50 7.469 2.078 3.076 1.00 0.00 H new ATOM 0 HA VAL A 50 7.090 0.912 0.372 1.00 0.00 H new ATOM 0 HB VAL A 50 5.729 3.322 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.404 3.466 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.141 3.730 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.399 2.168 -1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.622 2.024 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.565 0.629 0.820 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.780 1.221 2.485 1.00 0.00 H new ATOM 756 N THR A 51 8.623 2.682 -0.674 1.00 0.00 N ATOM 757 CA THR A 51 9.598 3.593 -1.295 1.00 0.00 C ATOM 758 C THR A 51 8.997 4.172 -2.591 1.00 0.00 C ATOM 759 O THR A 51 7.989 3.658 -3.091 1.00 0.00 O ATOM 760 CB THR A 51 10.953 2.866 -1.601 1.00 0.00 C ATOM 761 OG1 THR A 51 10.726 1.728 -2.455 1.00 0.00 O ATOM 762 CG2 THR A 51 11.664 2.399 -0.321 1.00 0.00 C ATOM 0 H THR A 51 8.290 1.957 -1.310 1.00 0.00 H new ATOM 0 HA THR A 51 9.813 4.400 -0.594 1.00 0.00 H new ATOM 0 HB THR A 51 11.596 3.590 -2.101 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.808 1.407 -2.335 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.597 1.901 -0.584 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.878 3.261 0.311 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.022 1.703 0.219 1.00 0.00 H new ATOM 770 N ALA A 52 9.630 5.235 -3.111 1.00 0.00 N ATOM 771 CA ALA A 52 9.164 5.970 -4.298 1.00 0.00 C ATOM 772 C ALA A 52 9.125 5.085 -5.551 1.00 0.00 C ATOM 773 O ALA A 52 10.107 4.399 -5.863 1.00 0.00 O ATOM 774 CB ALA A 52 10.051 7.209 -4.529 1.00 0.00 C ATOM 0 H ALA A 52 10.490 5.613 -2.714 1.00 0.00 H new ATOM 0 HA ALA A 52 8.140 6.292 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.701 7.748 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.998 7.862 -3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.083 6.894 -4.684 1.00 0.00 H new ATOM 780 N GLY A 53 7.979 5.111 -6.251 1.00 0.00 N ATOM 781 CA GLY A 53 7.805 4.380 -7.507 1.00 0.00 C ATOM 782 C GLY A 53 7.217 2.984 -7.340 1.00 0.00 C ATOM 783 O GLY A 53 7.080 2.265 -8.334 1.00 0.00 O ATOM 0 H GLY A 53 7.155 5.637 -5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.157 4.959 -8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.772 4.298 -8.004 1.00 0.00 H new ATOM 787 N ASP A 54 6.882 2.583 -6.091 1.00 0.00 N ATOM 788 CA ASP A 54 6.231 1.279 -5.818 1.00 0.00 C ATOM 789 C ASP A 54 4.758 1.275 -6.256 1.00 0.00 C ATOM 790 O ASP A 54 4.083 2.304 -6.182 1.00 0.00 O ATOM 791 CB ASP A 54 6.319 0.900 -4.308 1.00 0.00 C ATOM 792 CG ASP A 54 7.725 0.532 -3.800 1.00 0.00 C ATOM 793 OD1 ASP A 54 8.625 0.254 -4.611 1.00 0.00 O ATOM 794 OD2 ASP A 54 7.921 0.490 -2.567 1.00 0.00 O ATOM 0 H ASP A 54 7.052 3.144 -5.256 1.00 0.00 H new ATOM 0 HA ASP A 54 6.774 0.536 -6.403 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.946 1.737 -3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.652 0.058 -4.123 1.00 0.00 H new ATOM 799 N GLU A 55 4.271 0.096 -6.705 1.00 0.00 N ATOM 800 CA GLU A 55 2.859 -0.115 -7.050 1.00 0.00 C ATOM 801 C GLU A 55 2.124 -0.699 -5.825 1.00 0.00 C ATOM 802 O GLU A 55 2.133 -1.910 -5.623 1.00 0.00 O ATOM 803 CB GLU A 55 2.695 -1.067 -8.285 1.00 0.00 C ATOM 804 CG GLU A 55 3.529 -0.693 -9.535 1.00 0.00 C ATOM 805 CD GLU A 55 5.019 -1.092 -9.432 1.00 0.00 C ATOM 806 OE1 GLU A 55 5.314 -2.301 -9.452 1.00 0.00 O ATOM 807 OE2 GLU A 55 5.896 -0.204 -9.348 1.00 0.00 O ATOM 0 H GLU A 55 4.852 -0.732 -6.836 1.00 0.00 H new ATOM 0 HA GLU A 55 2.425 0.846 -7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.965 -2.078 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.642 -1.089 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.093 -1.176 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.461 0.383 -9.698 1.00 0.00 H new ATOM 814 N ILE A 56 1.534 0.176 -4.993 1.00 0.00 N ATOM 815 CA ILE A 56 0.674 -0.232 -3.872 1.00 0.00 C ATOM 816 C ILE A 56 -0.734 -0.431 -4.446 1.00 0.00 C ATOM 817 O ILE A 56 -1.502 0.513 -4.614 1.00 0.00 O ATOM 818 CB ILE A 56 0.644 0.864 -2.714 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.044 1.044 -2.040 1.00 0.00 C ATOM 820 CG2 ILE A 56 -0.433 0.553 -1.642 1.00 0.00 C ATOM 821 CD1 ILE A 56 3.074 1.759 -2.888 1.00 0.00 C ATOM 0 H ILE A 56 1.641 1.187 -5.080 1.00 0.00 H new ATOM 0 HA ILE A 56 1.060 -1.147 -3.422 1.00 0.00 H new ATOM 0 HB ILE A 56 0.377 1.805 -3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.914 1.597 -1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.432 0.061 -1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.416 1.326 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.417 0.529 -2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.224 -0.415 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.011 1.835 -2.336 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.240 1.199 -3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.714 2.759 -3.132 1.00 0.00 H new ATOM 833 N GLU A 57 -1.038 -1.674 -4.786 1.00 0.00 N ATOM 834 CA GLU A 57 -2.332 -2.069 -5.331 1.00 0.00 C ATOM 835 C GLU A 57 -3.192 -2.600 -4.182 1.00 0.00 C ATOM 836 O GLU A 57 -3.017 -3.740 -3.754 1.00 0.00 O ATOM 837 CB GLU A 57 -2.111 -3.145 -6.431 1.00 0.00 C ATOM 838 CG GLU A 57 -3.411 -3.714 -7.043 1.00 0.00 C ATOM 839 CD GLU A 57 -3.145 -4.865 -8.019 1.00 0.00 C ATOM 840 OE1 GLU A 57 -3.051 -6.019 -7.558 1.00 0.00 O ATOM 841 OE2 GLU A 57 -3.024 -4.621 -9.244 1.00 0.00 O ATOM 0 H GLU A 57 -0.384 -2.451 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.846 -1.224 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.508 -2.712 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.534 -3.967 -6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.063 -4.064 -6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.943 -2.917 -7.562 1.00 0.00 H new ATOM 848 N ILE A 58 -4.107 -1.768 -3.669 1.00 0.00 N ATOM 849 CA ILE A 58 -4.974 -2.167 -2.562 1.00 0.00 C ATOM 850 C ILE A 58 -6.017 -3.133 -3.124 1.00 0.00 C ATOM 851 O ILE A 58 -6.947 -2.733 -3.840 1.00 0.00 O ATOM 852 CB ILE A 58 -5.656 -0.922 -1.879 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.564 -0.034 -1.202 1.00 0.00 C ATOM 854 CG2 ILE A 58 -6.767 -1.341 -0.874 1.00 0.00 C ATOM 855 CD1 ILE A 58 -5.086 1.224 -0.544 1.00 0.00 C ATOM 0 H ILE A 58 -4.263 -0.817 -4.004 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.386 -2.653 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.155 -0.336 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.045 -0.631 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.826 0.246 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.209 -0.450 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.538 -1.905 -1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.333 -1.962 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.256 1.775 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.579 1.847 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.800 0.958 0.235 1.00 0.00 H new ATOM 867 N LEU A 59 -5.793 -4.414 -2.835 1.00 0.00 N ATOM 868 CA LEU A 59 -6.675 -5.487 -3.245 1.00 0.00 C ATOM 869 C LEU A 59 -7.978 -5.365 -2.469 1.00 0.00 C ATOM 870 O LEU A 59 -7.976 -5.149 -1.255 1.00 0.00 O ATOM 871 CB LEU A 59 -5.994 -6.862 -2.994 1.00 0.00 C ATOM 872 CG LEU A 59 -4.908 -7.257 -4.039 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.077 -8.461 -3.559 1.00 0.00 C ATOM 874 CD2 LEU A 59 -5.562 -7.534 -5.411 1.00 0.00 C ATOM 0 H LEU A 59 -4.983 -4.732 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.888 -5.416 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.537 -6.850 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.763 -7.635 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.220 -6.419 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.329 -8.710 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.580 -8.210 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.733 -9.317 -3.403 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.792 -7.809 -6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.277 -8.351 -5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.078 -6.638 -5.755 1.00 0.00 H new ATOM 886 N THR A 60 -9.079 -5.436 -3.201 1.00 0.00 N ATOM 887 CA THR A 60 -10.421 -5.437 -2.647 1.00 0.00 C ATOM 888 C THR A 60 -10.993 -6.865 -2.846 1.00 0.00 C ATOM 889 O THR A 60 -11.581 -7.155 -3.895 1.00 0.00 O ATOM 890 CB THR A 60 -11.283 -4.334 -3.358 1.00 0.00 C ATOM 891 OG1 THR A 60 -11.340 -4.586 -4.773 1.00 0.00 O ATOM 892 CG2 THR A 60 -10.701 -2.921 -3.135 1.00 0.00 C ATOM 0 H THR A 60 -9.062 -5.496 -4.219 1.00 0.00 H new ATOM 0 HA THR A 60 -10.428 -5.197 -1.584 1.00 0.00 H new ATOM 0 HB THR A 60 -12.281 -4.376 -2.923 1.00 0.00 H new ATOM 0 HG1 THR A 60 -11.487 -5.542 -4.929 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.326 -2.186 -3.643 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.677 -2.702 -2.068 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.689 -2.877 -3.537 1.00 0.00 H new ATOM 900 N PRO A 61 -10.722 -7.821 -1.892 1.00 0.00 N ATOM 901 CA PRO A 61 -11.181 -9.220 -2.015 1.00 0.00 C ATOM 902 C PRO A 61 -12.723 -9.311 -2.049 1.00 0.00 C ATOM 903 O PRO A 61 -13.390 -8.894 -1.098 1.00 0.00 O ATOM 904 CB PRO A 61 -10.586 -9.924 -0.758 1.00 0.00 C ATOM 905 CG PRO A 61 -9.485 -9.012 -0.291 1.00 0.00 C ATOM 906 CD PRO A 61 -9.951 -7.625 -0.636 1.00 0.00 C ATOM 0 HA PRO A 61 -10.854 -9.687 -2.944 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.343 -10.059 0.015 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.202 -10.914 -1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.316 -9.116 0.781 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.543 -9.246 -0.787 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.571 -7.202 0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.112 -6.944 -0.782 1.00 0.00 H new ATOM 914 N ARG A 62 -13.254 -9.817 -3.172 1.00 0.00 N ATOM 915 CA ARG A 62 -14.697 -10.016 -3.388 1.00 0.00 C ATOM 916 C ARG A 62 -15.228 -11.089 -2.421 1.00 0.00 C ATOM 917 O ARG A 62 -15.059 -12.290 -2.674 1.00 0.00 O ATOM 918 CB ARG A 62 -14.946 -10.416 -4.867 1.00 0.00 C ATOM 919 CG ARG A 62 -14.575 -9.318 -5.887 1.00 0.00 C ATOM 920 CD ARG A 62 -14.508 -9.838 -7.334 1.00 0.00 C ATOM 921 NE ARG A 62 -15.772 -10.448 -7.782 1.00 0.00 N ATOM 922 CZ ARG A 62 -15.929 -11.171 -8.906 1.00 0.00 C ATOM 923 NH1 ARG A 62 -14.903 -11.411 -9.725 1.00 0.00 N ATOM 924 NH2 ARG A 62 -17.122 -11.669 -9.200 1.00 0.00 N ATOM 0 H ARG A 62 -12.685 -10.104 -3.968 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.234 -9.089 -3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -14.371 -11.315 -5.091 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.998 -10.672 -4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -15.309 -8.514 -5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.610 -8.889 -5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.252 -9.014 -8.000 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.707 -10.573 -7.414 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.594 -10.311 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.977 -11.044 -9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.044 -11.962 -10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.912 -11.503 -8.576 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -17.250 -12.218 -10.050 1.00 0.00 H new ATOM 938 N GLN A 63 -15.864 -10.630 -1.318 1.00 0.00 N ATOM 939 CA GLN A 63 -16.289 -11.482 -0.185 1.00 0.00 C ATOM 940 C GLN A 63 -15.052 -12.180 0.435 1.00 0.00 C ATOM 941 O GLN A 63 -14.766 -13.350 0.137 1.00 0.00 O ATOM 942 CB GLN A 63 -17.390 -12.514 -0.615 1.00 0.00 C ATOM 943 CG GLN A 63 -18.578 -11.879 -1.374 1.00 0.00 C ATOM 944 CD GLN A 63 -19.624 -12.866 -1.909 1.00 0.00 C ATOM 945 OE1 GLN A 63 -20.805 -12.527 -2.014 1.00 0.00 O ATOM 946 NE2 GLN A 63 -19.207 -14.072 -2.274 1.00 0.00 N ATOM 0 H GLN A 63 -16.099 -9.646 -1.189 1.00 0.00 H new ATOM 0 HA GLN A 63 -16.745 -10.849 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.933 -13.276 -1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -17.767 -13.020 0.274 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -19.076 -11.174 -0.709 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -18.185 -11.303 -2.212 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -18.223 -14.323 -2.175 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -19.870 -14.748 -2.654 1.00 0.00 H new ATOM 955 N GLY A 64 -14.289 -11.414 1.240 1.00 0.00 N ATOM 956 CA GLY A 64 -13.043 -11.885 1.849 1.00 0.00 C ATOM 957 C GLY A 64 -13.273 -12.983 2.877 1.00 0.00 C ATOM 958 O GLY A 64 -13.494 -12.694 4.050 1.00 0.00 O ATOM 0 H GLY A 64 -14.525 -10.452 1.482 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.379 -12.256 1.068 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.536 -11.046 2.326 1.00 0.00 H new ATOM 962 N GLY A 65 -13.200 -14.246 2.415 1.00 0.00 N ATOM 963 CA GLY A 65 -13.513 -15.416 3.236 1.00 0.00 C ATOM 964 C GLY A 65 -14.944 -15.381 3.776 1.00 0.00 C ATOM 965 O GLY A 65 -15.874 -15.825 3.097 1.00 0.00 O ATOM 0 H GLY A 65 -12.922 -14.477 1.461 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.373 -16.320 2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.814 -15.469 4.070 1.00 0.00 H new ATOM 969 N LEU A 66 -15.105 -14.830 4.999 1.00 0.00 N ATOM 970 CA LEU A 66 -16.414 -14.634 5.646 1.00 0.00 C ATOM 971 C LEU A 66 -17.223 -13.565 4.895 1.00 0.00 C ATOM 972 O LEU A 66 -16.958 -12.363 5.025 1.00 0.00 O ATOM 973 CB LEU A 66 -16.241 -14.232 7.143 1.00 0.00 C ATOM 974 CG LEU A 66 -17.563 -13.973 7.953 1.00 0.00 C ATOM 975 CD1 LEU A 66 -18.455 -15.229 8.021 1.00 0.00 C ATOM 976 CD2 LEU A 66 -17.246 -13.436 9.365 1.00 0.00 C ATOM 0 H LEU A 66 -14.321 -14.507 5.567 1.00 0.00 H new ATOM 0 HA LEU A 66 -16.958 -15.578 5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.681 -15.020 7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -15.631 -13.330 7.186 1.00 0.00 H new ATOM 0 HG LEU A 66 -18.128 -13.210 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -19.357 -15.004 8.590 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -18.729 -15.535 7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -17.910 -16.036 8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -18.176 -13.264 9.906 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -16.642 -14.165 9.904 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -16.696 -12.499 9.283 1.00 0.00 H new ATOM 988 N GLU A 67 -18.144 -14.047 4.055 1.00 0.00 N ATOM 989 CA GLU A 67 -19.181 -13.235 3.392 1.00 0.00 C ATOM 990 C GLU A 67 -20.042 -12.537 4.479 1.00 0.00 C ATOM 991 O GLU A 67 -20.326 -13.122 5.534 1.00 0.00 O ATOM 992 CB GLU A 67 -20.032 -14.172 2.468 1.00 0.00 C ATOM 993 CG GLU A 67 -20.868 -13.494 1.354 1.00 0.00 C ATOM 994 CD GLU A 67 -22.090 -12.686 1.832 1.00 0.00 C ATOM 995 OE1 GLU A 67 -23.066 -13.304 2.309 1.00 0.00 O ATOM 996 OE2 GLU A 67 -22.088 -11.442 1.712 1.00 0.00 O ATOM 0 H GLU A 67 -18.194 -15.035 3.808 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.742 -12.457 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.357 -14.886 1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -20.711 -14.744 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -20.215 -12.829 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -21.212 -14.264 0.664 1.00 0.00 H new ATOM 1003 N HIS A 68 -20.461 -11.300 4.202 1.00 0.00 N ATOM 1004 CA HIS A 68 -21.147 -10.453 5.179 1.00 0.00 C ATOM 1005 C HIS A 68 -22.233 -9.632 4.472 1.00 0.00 C ATOM 1006 O HIS A 68 -21.958 -8.558 3.920 1.00 0.00 O ATOM 1007 CB HIS A 68 -20.132 -9.541 5.913 1.00 0.00 C ATOM 1008 CG HIS A 68 -20.755 -8.682 6.984 1.00 0.00 C ATOM 1009 ND1 HIS A 68 -20.954 -7.331 6.834 1.00 0.00 N ATOM 1010 CD2 HIS A 68 -21.214 -8.990 8.225 1.00 0.00 C ATOM 1011 CE1 HIS A 68 -21.508 -6.846 7.921 1.00 0.00 C ATOM 1012 NE2 HIS A 68 -21.677 -7.827 8.782 1.00 0.00 N ATOM 0 H HIS A 68 -20.334 -10.857 3.292 1.00 0.00 H new ATOM 0 HA HIS A 68 -21.625 -11.080 5.932 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -19.357 -10.162 6.363 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -19.641 -8.897 5.183 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -21.214 -9.967 8.685 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -21.780 -5.813 8.082 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -22.086 -7.736 9.712 1.00 0.00 H new ATOM 1021 N HIS A 69 -23.448 -10.193 4.447 1.00 0.00 N ATOM 1022 CA HIS A 69 -24.646 -9.518 3.938 1.00 0.00 C ATOM 1023 C HIS A 69 -25.102 -8.485 4.977 1.00 0.00 C ATOM 1024 O HIS A 69 -25.231 -8.823 6.160 1.00 0.00 O ATOM 1025 CB HIS A 69 -25.774 -10.558 3.671 1.00 0.00 C ATOM 1026 CG HIS A 69 -27.055 -9.980 3.095 1.00 0.00 C ATOM 1027 ND1 HIS A 69 -27.331 -9.936 1.741 1.00 0.00 N ATOM 1028 CD2 HIS A 69 -28.144 -9.433 3.701 1.00 0.00 C ATOM 1029 CE1 HIS A 69 -28.518 -9.393 1.551 1.00 0.00 C ATOM 1030 NE2 HIS A 69 -29.030 -9.078 2.718 1.00 0.00 N ATOM 0 H HIS A 69 -23.628 -11.139 4.784 1.00 0.00 H new ATOM 0 HA HIS A 69 -24.420 -9.016 2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -25.394 -11.316 2.986 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -26.010 -11.064 4.607 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -28.284 -9.302 4.764 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -28.991 -9.234 0.593 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -29.939 -8.640 2.868 1.00 0.00 H new ATOM 1039 N HIS A 70 -25.318 -7.238 4.518 1.00 0.00 N ATOM 1040 CA HIS A 70 -25.805 -6.122 5.346 1.00 0.00 C ATOM 1041 C HIS A 70 -27.219 -6.435 5.911 1.00 0.00 C ATOM 1042 O HIS A 70 -28.195 -6.471 5.156 1.00 0.00 O ATOM 1043 CB HIS A 70 -25.820 -4.808 4.501 1.00 0.00 C ATOM 1044 CG HIS A 70 -26.272 -3.575 5.254 1.00 0.00 C ATOM 1045 ND1 HIS A 70 -27.592 -3.165 5.310 1.00 0.00 N ATOM 1046 CD2 HIS A 70 -25.578 -2.658 5.980 1.00 0.00 C ATOM 1047 CE1 HIS A 70 -27.684 -2.068 6.031 1.00 0.00 C ATOM 1048 NE2 HIS A 70 -26.484 -1.741 6.446 1.00 0.00 N ATOM 0 H HIS A 70 -25.156 -6.975 3.546 1.00 0.00 H new ATOM 0 HA HIS A 70 -25.132 -5.987 6.192 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -24.817 -4.632 4.111 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -26.475 -4.952 3.642 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -24.513 -2.653 6.156 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -28.595 -1.528 6.245 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -26.260 -0.931 7.025 1.00 0.00 H new ATOM 1057 N HIS A 71 -27.275 -6.715 7.235 1.00 0.00 N ATOM 1058 CA HIS A 71 -28.506 -6.972 8.008 1.00 0.00 C ATOM 1059 C HIS A 71 -28.138 -7.107 9.496 1.00 0.00 C ATOM 1060 O HIS A 71 -27.199 -7.836 9.837 1.00 0.00 O ATOM 1061 CB HIS A 71 -29.231 -8.264 7.538 1.00 0.00 C ATOM 1062 CG HIS A 71 -30.526 -8.538 8.280 1.00 0.00 C ATOM 1063 ND1 HIS A 71 -30.616 -9.403 9.353 1.00 0.00 N ATOM 1064 CD2 HIS A 71 -31.777 -8.036 8.114 1.00 0.00 C ATOM 1065 CE1 HIS A 71 -31.851 -9.413 9.814 1.00 0.00 C ATOM 1066 NE2 HIS A 71 -32.575 -8.598 9.081 1.00 0.00 N ATOM 0 H HIS A 71 -26.434 -6.769 7.810 1.00 0.00 H new ATOM 0 HA HIS A 71 -29.187 -6.136 7.850 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -29.443 -8.184 6.472 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -28.561 -9.114 7.667 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -32.087 -7.326 7.361 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -32.207 -9.993 10.652 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -33.570 -8.412 9.209 1.00 0.00 H new ATOM 1075 N HIS A 72 -28.879 -6.407 10.374 1.00 0.00 N ATOM 1076 CA HIS A 72 -28.756 -6.522 11.846 1.00 0.00 C ATOM 1077 C HIS A 72 -30.153 -6.633 12.488 1.00 0.00 C ATOM 1078 O HIS A 72 -31.171 -6.694 11.780 1.00 0.00 O ATOM 1079 CB HIS A 72 -27.976 -5.316 12.445 1.00 0.00 C ATOM 1080 CG HIS A 72 -26.531 -5.219 12.043 1.00 0.00 C ATOM 1081 ND1 HIS A 72 -25.948 -4.042 11.631 1.00 0.00 N ATOM 1082 CD2 HIS A 72 -25.538 -6.139 12.048 1.00 0.00 C ATOM 1083 CE1 HIS A 72 -24.674 -4.240 11.397 1.00 0.00 C ATOM 1084 NE2 HIS A 72 -24.398 -5.502 11.643 1.00 0.00 N ATOM 0 H HIS A 72 -29.590 -5.736 10.082 1.00 0.00 H new ATOM 0 HA HIS A 72 -28.190 -7.427 12.069 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -28.480 -4.396 12.149 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -28.030 -5.374 13.532 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -25.629 -7.180 12.321 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -23.970 -3.494 11.059 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -23.480 -5.936 11.547 1.00 0.00 H new ATOM 1093 N HIS A 73 -30.183 -6.661 13.839 1.00 0.00 N ATOM 1094 CA HIS A 73 -31.423 -6.819 14.624 1.00 0.00 C ATOM 1095 C HIS A 73 -32.009 -5.432 14.988 1.00 0.00 C ATOM 1096 O HIS A 73 -31.514 -4.798 15.949 1.00 0.00 O ATOM 1097 CB HIS A 73 -31.158 -7.677 15.896 1.00 0.00 C ATOM 1098 CG HIS A 73 -30.584 -9.035 15.599 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -29.258 -9.348 15.800 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -31.162 -10.163 15.115 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -29.044 -10.599 15.448 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -30.182 -11.114 15.034 1.00 0.00 N ATOM 1103 OXT HIS A 73 -32.942 -4.969 14.296 1.00 0.00 O ATOM 0 H HIS A 73 -29.345 -6.574 14.415 1.00 0.00 H new ATOM 0 HA HIS A 73 -32.160 -7.345 14.017 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -30.474 -7.138 16.551 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -32.093 -7.799 16.443 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -32.200 -10.287 14.845 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -28.096 -11.114 15.492 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -30.313 -12.071 14.705 1.00 0.00 H new TER 1112 HIS A 73