USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 408 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 33 THR OG1 : rot 180:sc= -0.0219 USER MOD Set 1.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 36 HIS : no HD1:sc=-0.00194 X(o=-0.0019,f=-0.0057) USER MOD Set 3.1: A 8 GLN : amide:sc= 1.18 K(o=1.2,f=0.028) USER MOD Set 3.2: A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 VAL N :NH3+ -115:sc= -0.0841 (180deg=-0.305) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.359 K(o=0.36,f=-6.6!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS :FLIP no HD1:sc= -0.081 F(o=-0.66,f=-0.081) USER MOD Single : A 21 SER OG : rot 180:sc= 0.155 USER MOD Single : A 25 THR OG1 : rot 74:sc= 1.4 USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= 0.00387 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-5.4!) USER MOD Single : A 50 ASN : amide:sc= 0.884 K(o=0.88,f=-4.5!) USER MOD Single : A 55 ASN : amide:sc= 0.131 K(o=0.13,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.623 11.961 5.988 1.00 0.00 N ATOM 2 CA VAL A 1 7.149 10.690 5.380 1.00 0.00 C ATOM 3 C VAL A 1 6.262 9.952 6.352 1.00 0.00 C ATOM 4 O VAL A 1 6.181 10.308 7.529 1.00 0.00 O ATOM 5 CB VAL A 1 8.316 9.800 4.921 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.090 10.505 3.784 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.245 9.394 6.090 1.00 0.00 C ATOM 0 H1 VAL A 1 7.235 12.766 5.456 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.304 12.013 6.977 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.662 11.994 5.957 1.00 0.00 H new ATOM 0 HA VAL A 1 6.572 10.941 4.490 1.00 0.00 H new ATOM 0 HB VAL A 1 7.903 8.867 4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.917 9.873 3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.419 10.684 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.481 11.456 4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 1 10.052 8.766 5.712 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.665 10.289 6.548 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.673 8.840 6.834 1.00 0.00 H new ATOM 19 N ARG A 2 5.573 8.895 5.866 1.00 0.00 N ATOM 20 CA ARG A 2 4.829 7.974 6.690 1.00 0.00 C ATOM 21 C ARG A 2 5.452 6.631 6.442 1.00 0.00 C ATOM 22 O ARG A 2 6.256 6.460 5.520 1.00 0.00 O ATOM 23 CB ARG A 2 3.297 7.878 6.392 1.00 0.00 C ATOM 24 CG ARG A 2 2.880 7.455 4.963 1.00 0.00 C ATOM 25 CD ARG A 2 2.701 8.588 3.931 1.00 0.00 C ATOM 26 NE ARG A 2 1.329 9.208 4.031 1.00 0.00 N ATOM 27 CZ ARG A 2 1.090 10.401 4.660 1.00 0.00 C ATOM 28 NH1 ARG A 2 2.080 11.068 5.319 1.00 0.00 N ATOM 29 NH2 ARG A 2 -0.165 10.937 4.612 1.00 0.00 N ATOM 0 H ARG A 2 5.531 8.673 4.871 1.00 0.00 H new ATOM 0 HA ARG A 2 4.883 8.327 7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.860 7.169 7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.851 8.850 6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.629 6.762 4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.942 6.905 5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.461 9.353 4.092 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.852 8.195 2.926 1.00 0.00 H new ATOM 0 HE ARG A 2 0.542 8.715 3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.023 10.680 5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.878 11.955 5.780 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.909 10.450 4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.358 11.825 5.076 1.00 0.00 H new ATOM 43 N ASP A 3 5.052 5.627 7.251 1.00 0.00 N ATOM 44 CA ASP A 3 5.345 4.241 7.026 1.00 0.00 C ATOM 45 C ASP A 3 3.948 3.760 7.201 1.00 0.00 C ATOM 46 O ASP A 3 3.278 4.259 8.108 1.00 0.00 O ATOM 47 CB ASP A 3 6.225 3.573 8.111 1.00 0.00 C ATOM 48 CG ASP A 3 7.576 4.281 8.198 1.00 0.00 C ATOM 49 OD1 ASP A 3 8.302 4.300 7.171 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.902 4.808 9.295 1.00 0.00 O ATOM 0 H ASP A 3 4.503 5.788 8.095 1.00 0.00 H new ATOM 0 HA ASP A 3 5.889 4.041 6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.721 3.615 9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.372 2.519 7.874 1.00 0.00 H new ATOM 55 N GLY A 4 3.437 2.889 6.307 1.00 0.00 N ATOM 56 CA GLY A 4 2.056 2.506 6.433 1.00 0.00 C ATOM 57 C GLY A 4 1.813 1.252 5.668 1.00 0.00 C ATOM 58 O GLY A 4 2.728 0.696 5.060 1.00 0.00 O ATOM 0 H GLY A 4 3.948 2.466 5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.804 2.358 7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.412 3.302 6.060 1.00 0.00 H new ATOM 62 N TYR A 5 0.529 0.828 5.637 1.00 0.00 N ATOM 63 CA TYR A 5 0.026 -0.222 4.790 1.00 0.00 C ATOM 64 C TYR A 5 -0.325 0.466 3.511 1.00 0.00 C ATOM 65 O TYR A 5 -1.067 1.437 3.560 1.00 0.00 O ATOM 66 CB TYR A 5 -1.285 -0.831 5.328 1.00 0.00 C ATOM 67 CG TYR A 5 -1.004 -1.711 6.511 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.448 -2.992 6.345 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.318 -1.269 7.806 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.236 -3.825 7.451 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.129 -2.107 8.911 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.598 -3.392 8.735 1.00 0.00 C ATOM 73 OH TYR A 5 -0.450 -4.261 9.841 1.00 0.00 O ATOM 0 H TYR A 5 -0.193 1.237 6.231 1.00 0.00 H new ATOM 0 HA TYR A 5 0.764 -1.020 4.709 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.973 -0.035 5.613 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.774 -1.409 4.544 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.182 -3.336 5.356 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.709 -0.273 7.951 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.206 -4.801 7.315 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.393 -1.763 9.900 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.746 -3.805 10.657 1.00 0.00 H new ATOM 83 N ILE A 6 0.207 0.022 2.354 1.00 0.00 N ATOM 84 CA ILE A 6 -0.001 0.711 1.105 1.00 0.00 C ATOM 85 C ILE A 6 -1.237 0.141 0.444 1.00 0.00 C ATOM 86 O ILE A 6 -1.573 -1.046 0.593 1.00 0.00 O ATOM 87 CB ILE A 6 1.248 0.760 0.217 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.102 1.712 -0.996 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.701 -0.658 -0.179 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.422 2.040 -1.693 1.00 0.00 C ATOM 0 H ILE A 6 0.783 -0.816 2.279 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.184 1.768 1.297 1.00 0.00 H new ATOM 0 HB ILE A 6 2.046 1.199 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.424 1.260 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.639 2.641 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.589 -0.594 -0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.934 -1.230 0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.902 -1.155 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.234 2.711 -2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.097 2.522 -0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.878 1.120 -2.060 1.00 0.00 H new ATOM 102 N ALA A 7 -1.934 1.070 -0.259 1.00 0.00 N ATOM 103 CA ALA A 7 -3.182 0.895 -0.931 1.00 0.00 C ATOM 104 C ALA A 7 -2.879 0.971 -2.384 1.00 0.00 C ATOM 105 O ALA A 7 -1.729 0.904 -2.802 1.00 0.00 O ATOM 106 CB ALA A 7 -4.210 2.003 -0.621 1.00 0.00 C ATOM 0 H ALA A 7 -1.584 2.023 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.618 -0.050 -0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.133 1.805 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.416 2.019 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.808 2.969 -0.928 1.00 0.00 H new ATOM 112 N GLN A 8 -3.942 1.165 -3.173 1.00 0.00 N ATOM 113 CA GLN A 8 -3.925 1.474 -4.561 1.00 0.00 C ATOM 114 C GLN A 8 -4.832 2.667 -4.479 1.00 0.00 C ATOM 115 O GLN A 8 -5.549 2.742 -3.475 1.00 0.00 O ATOM 116 CB GLN A 8 -4.604 0.385 -5.420 1.00 0.00 C ATOM 117 CG GLN A 8 -3.906 -0.973 -5.288 1.00 0.00 C ATOM 118 CD GLN A 8 -4.790 -2.057 -5.900 1.00 0.00 C ATOM 119 OE1 GLN A 8 -4.763 -2.259 -7.118 1.00 0.00 O ATOM 120 NE2 GLN A 8 -5.623 -2.731 -5.058 1.00 0.00 N ATOM 0 H GLN A 8 -4.892 1.100 -2.808 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.937 1.593 -5.005 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.647 0.286 -5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.600 0.694 -6.465 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.940 -0.948 -5.792 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.713 -1.195 -4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.610 -2.530 -4.058 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.260 -3.437 -5.428 1.00 0.00 H new ATOM 129 N PRO A 9 -4.863 3.603 -5.410 1.00 0.00 N ATOM 130 CA PRO A 9 -5.828 4.692 -5.383 1.00 0.00 C ATOM 131 C PRO A 9 -7.212 4.137 -5.644 1.00 0.00 C ATOM 132 O PRO A 9 -7.301 3.067 -6.247 1.00 0.00 O ATOM 133 CB PRO A 9 -5.377 5.604 -6.537 1.00 0.00 C ATOM 134 CG PRO A 9 -3.870 5.355 -6.638 1.00 0.00 C ATOM 135 CD PRO A 9 -3.767 3.860 -6.343 1.00 0.00 C ATOM 0 HA PRO A 9 -5.870 5.220 -4.431 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.886 5.352 -7.467 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.595 6.651 -6.327 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.482 5.602 -7.626 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.310 5.951 -5.918 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.870 3.267 -7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.802 3.606 -5.904 1.00 0.00 H new ATOM 143 N GLU A 10 -8.313 4.786 -5.214 1.00 0.00 N ATOM 144 CA GLU A 10 -8.412 6.074 -4.561 1.00 0.00 C ATOM 145 C GLU A 10 -8.551 5.849 -3.080 1.00 0.00 C ATOM 146 O GLU A 10 -8.264 6.730 -2.276 1.00 0.00 O ATOM 147 CB GLU A 10 -9.635 6.852 -5.075 1.00 0.00 C ATOM 148 CG GLU A 10 -9.443 7.350 -6.517 1.00 0.00 C ATOM 149 CD GLU A 10 -10.770 7.890 -7.039 1.00 0.00 C ATOM 150 OE1 GLU A 10 -11.708 7.070 -7.224 1.00 0.00 O ATOM 151 OE2 GLU A 10 -10.864 9.129 -7.261 1.00 0.00 O ATOM 0 H GLU A 10 -9.235 4.367 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.517 6.657 -4.778 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.516 6.212 -5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.823 7.703 -4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.682 8.130 -6.547 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.092 6.537 -7.152 1.00 0.00 H new ATOM 158 N ASN A 11 -8.967 4.636 -2.690 1.00 0.00 N ATOM 159 CA ASN A 11 -8.755 4.064 -1.402 1.00 0.00 C ATOM 160 C ASN A 11 -8.725 2.688 -1.944 1.00 0.00 C ATOM 161 O ASN A 11 -9.356 2.437 -2.972 1.00 0.00 O ATOM 162 CB ASN A 11 -9.916 4.126 -0.368 1.00 0.00 C ATOM 163 CG ASN A 11 -9.548 3.330 0.901 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.382 3.325 1.306 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.549 2.665 1.538 1.00 0.00 N ATOM 0 H ASN A 11 -9.484 4.016 -3.314 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.941 4.519 -0.838 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.124 5.164 -0.107 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.826 3.720 -0.809 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.350 2.135 2.386 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.499 2.697 1.167 1.00 0.00 H new ATOM 172 N CYS A 12 -8.002 1.799 -1.278 1.00 0.00 N ATOM 173 CA CYS A 12 -8.001 0.401 -1.554 1.00 0.00 C ATOM 174 C CYS A 12 -7.122 -0.108 -0.477 1.00 0.00 C ATOM 175 O CYS A 12 -6.833 0.616 0.473 1.00 0.00 O ATOM 176 CB CYS A 12 -7.522 0.004 -2.986 1.00 0.00 C ATOM 177 SG CYS A 12 -8.551 -1.215 -3.863 1.00 0.00 S ATOM 0 H CYS A 12 -7.385 2.057 -0.508 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.004 -0.026 -1.558 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.468 0.908 -3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.509 -0.391 -2.912 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.041 -1.450 -5.035 1.00 0.00 H new ATOM 182 N VAL A 13 -6.643 -1.342 -0.647 1.00 0.00 N ATOM 183 CA VAL A 13 -5.511 -1.893 0.015 1.00 0.00 C ATOM 184 C VAL A 13 -4.822 -2.372 -1.230 1.00 0.00 C ATOM 185 O VAL A 13 -5.490 -2.504 -2.264 1.00 0.00 O ATOM 186 CB VAL A 13 -5.831 -3.037 0.969 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.482 -2.483 2.256 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.716 -4.100 0.289 1.00 0.00 C ATOM 0 H VAL A 13 -7.076 -2.003 -1.292 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.969 -1.217 0.677 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.901 -3.534 1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.708 -3.307 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.795 -1.791 2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.404 -1.960 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.927 -4.903 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.652 -3.643 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.195 -4.506 -0.578 1.00 0.00 H new ATOM 198 N TYR A 14 -3.493 -2.627 -1.183 1.00 0.00 N ATOM 199 CA TYR A 14 -2.814 -3.317 -2.259 1.00 0.00 C ATOM 200 C TYR A 14 -3.070 -4.788 -2.088 1.00 0.00 C ATOM 201 O TYR A 14 -3.972 -5.204 -1.365 1.00 0.00 O ATOM 202 CB TYR A 14 -1.282 -3.009 -2.388 1.00 0.00 C ATOM 203 CG TYR A 14 -0.898 -2.518 -3.774 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.283 -3.213 -4.941 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.162 -1.334 -3.922 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.026 -2.685 -6.213 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.086 -0.793 -5.188 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.373 -1.451 -6.332 1.00 0.00 C ATOM 209 OH TYR A 14 -0.227 -0.835 -7.591 1.00 0.00 O ATOM 0 H TYR A 14 -2.889 -2.359 -0.406 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.223 -2.946 -3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.003 -2.257 -1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.714 -3.909 -2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.783 -4.166 -4.852 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.219 -0.832 -3.045 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.330 -3.226 -7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.633 0.134 -5.281 1.00 0.00 H new ATOM 0 HH TYR A 14 0.250 0.015 -7.486 1.00 0.00 H new ATOM 219 N HIS A 15 -2.298 -5.635 -2.764 1.00 0.00 N ATOM 220 CA HIS A 15 -2.408 -7.042 -2.629 1.00 0.00 C ATOM 221 C HIS A 15 -0.948 -7.289 -2.608 1.00 0.00 C ATOM 222 O HIS A 15 -0.171 -6.360 -2.845 1.00 0.00 O ATOM 223 CB HIS A 15 -3.179 -7.735 -3.774 1.00 0.00 C ATOM 224 CG HIS A 15 -4.664 -7.562 -3.558 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.493 -8.305 -2.786 1.00 0.00 N flip ATOM 226 CD2 HIS A 15 -5.348 -6.417 -3.890 1.00 0.00 C flip ATOM 227 CE1 HIS A 15 -6.655 -7.600 -2.640 1.00 0.00 C flip ATOM 228 NE2 HIS A 15 -6.544 -6.466 -3.315 1.00 0.00 N flip ATOM 0 H HIS A 15 -1.578 -5.337 -3.422 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.985 -7.427 -1.788 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.888 -7.308 -4.734 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.927 -8.795 -3.807 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.977 -5.616 -4.511 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.517 -7.914 -2.071 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.263 -5.745 -3.382 1.00 0.00 H new ATOM 237 N CYS A 16 -0.538 -8.509 -2.257 1.00 0.00 N ATOM 238 CA CYS A 16 0.809 -8.815 -1.920 1.00 0.00 C ATOM 239 C CYS A 16 0.849 -10.152 -2.539 1.00 0.00 C ATOM 240 O CYS A 16 -0.203 -10.775 -2.692 1.00 0.00 O ATOM 241 CB CYS A 16 1.020 -8.930 -0.381 1.00 0.00 C ATOM 242 SG CYS A 16 2.666 -9.515 0.125 1.00 0.00 S ATOM 0 H CYS A 16 -1.164 -9.313 -2.205 1.00 0.00 H new ATOM 0 HA CYS A 16 1.556 -8.086 -2.235 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.843 -7.953 0.069 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.269 -9.608 0.024 1.00 0.00 H new ATOM 247 N PHE A 17 2.046 -10.631 -2.902 1.00 0.00 N ATOM 248 CA PHE A 17 2.275 -11.986 -3.262 1.00 0.00 C ATOM 249 C PHE A 17 3.171 -12.291 -2.094 1.00 0.00 C ATOM 250 O PHE A 17 4.150 -11.549 -2.019 1.00 0.00 O ATOM 251 CB PHE A 17 3.092 -12.128 -4.577 1.00 0.00 C ATOM 252 CG PHE A 17 2.644 -11.184 -5.676 1.00 0.00 C ATOM 253 CD1 PHE A 17 1.288 -10.960 -5.988 1.00 0.00 C ATOM 254 CD2 PHE A 17 3.623 -10.502 -6.423 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.927 -10.081 -7.019 1.00 0.00 C ATOM 256 CE2 PHE A 17 3.268 -9.627 -7.455 1.00 0.00 C ATOM 257 CZ PHE A 17 1.918 -9.420 -7.755 1.00 0.00 C ATOM 0 H PHE A 17 2.885 -10.052 -2.946 1.00 0.00 H new ATOM 0 HA PHE A 17 1.388 -12.596 -3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.145 -11.947 -4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.011 -13.154 -4.936 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.519 -11.471 -5.427 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.667 -10.657 -6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.116 -9.914 -7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.033 -9.113 -8.018 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.640 -8.750 -8.555 1.00 0.00 H new ATOM 267 N PRO A 18 2.920 -13.217 -1.163 1.00 0.00 N ATOM 268 CA PRO A 18 3.596 -13.247 0.129 1.00 0.00 C ATOM 269 C PRO A 18 5.111 -13.275 0.124 1.00 0.00 C ATOM 270 O PRO A 18 5.706 -14.351 0.036 1.00 0.00 O ATOM 271 CB PRO A 18 3.025 -14.515 0.780 1.00 0.00 C ATOM 272 CG PRO A 18 1.570 -14.588 0.283 1.00 0.00 C ATOM 273 CD PRO A 18 1.552 -13.721 -0.987 1.00 0.00 C ATOM 0 HA PRO A 18 3.409 -12.312 0.657 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.589 -15.400 0.485 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.070 -14.456 1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.276 -15.615 0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.875 -14.209 1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.239 -14.306 -1.852 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.845 -12.898 -0.886 1.00 0.00 H new ATOM 281 N GLY A 19 5.747 -12.094 0.248 1.00 0.00 N ATOM 282 CA GLY A 19 7.159 -11.929 0.251 1.00 0.00 C ATOM 283 C GLY A 19 7.190 -10.453 0.060 1.00 0.00 C ATOM 284 O GLY A 19 6.133 -9.817 0.081 1.00 0.00 O ATOM 0 H GLY A 19 5.244 -11.212 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.623 -12.248 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.653 -12.473 -0.553 1.00 0.00 H new ATOM 288 N SER A 20 8.385 -9.862 -0.139 1.00 0.00 N ATOM 289 CA SER A 20 8.532 -8.443 -0.364 1.00 0.00 C ATOM 290 C SER A 20 8.445 -8.157 -1.843 1.00 0.00 C ATOM 291 O SER A 20 8.303 -7.011 -2.265 1.00 0.00 O ATOM 292 CB SER A 20 9.915 -7.951 0.126 1.00 0.00 C ATOM 293 OG SER A 20 10.248 -8.546 1.381 1.00 0.00 O ATOM 0 H SER A 20 9.268 -10.373 -0.145 1.00 0.00 H new ATOM 0 HA SER A 20 7.741 -7.931 0.183 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.677 -8.199 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.906 -6.865 0.224 1.00 0.00 H new ATOM 0 HG SER A 20 11.126 -8.224 1.673 1.00 0.00 H new ATOM 299 N SER A 21 8.548 -9.224 -2.656 1.00 0.00 N ATOM 300 CA SER A 21 8.863 -9.280 -4.054 1.00 0.00 C ATOM 301 C SER A 21 8.174 -8.277 -4.940 1.00 0.00 C ATOM 302 O SER A 21 8.825 -7.463 -5.589 1.00 0.00 O ATOM 303 CB SER A 21 8.584 -10.718 -4.545 1.00 0.00 C ATOM 304 OG SER A 21 8.820 -11.626 -3.464 1.00 0.00 O ATOM 0 H SER A 21 8.391 -10.161 -2.286 1.00 0.00 H new ATOM 0 HA SER A 21 9.914 -9.004 -4.138 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.555 -10.805 -4.894 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.229 -10.961 -5.390 1.00 0.00 H new ATOM 0 HG SER A 21 8.645 -12.543 -3.763 1.00 0.00 H new ATOM 310 N GLY A 22 6.825 -8.302 -4.996 1.00 0.00 N ATOM 311 CA GLY A 22 6.105 -7.542 -5.996 1.00 0.00 C ATOM 312 C GLY A 22 5.991 -6.114 -5.579 1.00 0.00 C ATOM 313 O GLY A 22 6.081 -5.198 -6.401 1.00 0.00 O ATOM 0 H GLY A 22 6.234 -8.839 -4.361 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.621 -7.608 -6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.111 -7.966 -6.139 1.00 0.00 H new ATOM 317 N CYS A 23 5.814 -5.900 -4.258 1.00 0.00 N ATOM 318 CA CYS A 23 5.563 -4.599 -3.699 1.00 0.00 C ATOM 319 C CYS A 23 6.834 -3.830 -3.555 1.00 0.00 C ATOM 320 O CYS A 23 6.787 -2.612 -3.463 1.00 0.00 O ATOM 321 CB CYS A 23 4.791 -4.645 -2.367 1.00 0.00 C ATOM 322 SG CYS A 23 3.095 -5.208 -2.695 1.00 0.00 S ATOM 0 H CYS A 23 5.846 -6.646 -3.563 1.00 0.00 H new ATOM 0 HA CYS A 23 4.915 -4.081 -4.406 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.284 -5.320 -1.668 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.779 -3.659 -1.903 1.00 0.00 H new ATOM 327 N ASP A 24 8.012 -4.493 -3.621 1.00 0.00 N ATOM 328 CA ASP A 24 9.297 -3.829 -3.737 1.00 0.00 C ATOM 329 C ASP A 24 9.294 -2.966 -4.981 1.00 0.00 C ATOM 330 O ASP A 24 9.547 -1.766 -4.911 1.00 0.00 O ATOM 331 CB ASP A 24 10.469 -4.847 -3.793 1.00 0.00 C ATOM 332 CG ASP A 24 11.837 -4.160 -3.705 1.00 0.00 C ATOM 333 OD1 ASP A 24 12.123 -3.542 -2.646 1.00 0.00 O ATOM 334 OD2 ASP A 24 12.614 -4.258 -4.692 1.00 0.00 O ATOM 0 H ASP A 24 8.080 -5.510 -3.594 1.00 0.00 H new ATOM 0 HA ASP A 24 9.448 -3.211 -2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.369 -5.559 -2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.409 -5.417 -4.720 1.00 0.00 H new ATOM 339 N THR A 25 8.925 -3.548 -6.143 1.00 0.00 N ATOM 340 CA THR A 25 8.755 -2.826 -7.384 1.00 0.00 C ATOM 341 C THR A 25 7.692 -1.744 -7.291 1.00 0.00 C ATOM 342 O THR A 25 7.922 -0.604 -7.696 1.00 0.00 O ATOM 343 CB THR A 25 8.426 -3.776 -8.533 1.00 0.00 C ATOM 344 OG1 THR A 25 8.117 -5.084 -8.049 1.00 0.00 O ATOM 345 CG2 THR A 25 9.670 -3.895 -9.436 1.00 0.00 C ATOM 0 H THR A 25 8.739 -4.547 -6.227 1.00 0.00 H new ATOM 0 HA THR A 25 9.708 -2.336 -7.584 1.00 0.00 H new ATOM 0 HB THR A 25 7.566 -3.380 -9.073 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.225 -5.080 -7.644 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.455 -4.570 -10.264 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.931 -2.912 -9.828 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.505 -4.287 -8.855 1.00 0.00 H new ATOM 353 N LEU A 26 6.497 -2.076 -6.753 1.00 0.00 N ATOM 354 CA LEU A 26 5.364 -1.166 -6.722 1.00 0.00 C ATOM 355 C LEU A 26 5.619 0.007 -5.815 1.00 0.00 C ATOM 356 O LEU A 26 5.254 1.147 -6.101 1.00 0.00 O ATOM 357 CB LEU A 26 4.089 -1.864 -6.198 1.00 0.00 C ATOM 358 CG LEU A 26 3.578 -3.007 -7.105 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.526 -3.857 -6.370 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.026 -2.485 -8.443 1.00 0.00 C ATOM 0 H LEU A 26 6.306 -2.985 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 26 5.226 -0.833 -7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.289 -2.265 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.299 -1.121 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 26 4.434 -3.640 -7.339 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.180 -4.655 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.970 -4.291 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.682 -3.228 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.679 -3.324 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.194 -1.806 -8.254 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.813 -1.954 -8.979 1.00 0.00 H new ATOM 372 N CYS A 27 6.279 -0.249 -4.673 1.00 0.00 N ATOM 373 CA CYS A 27 6.617 0.783 -3.728 1.00 0.00 C ATOM 374 C CYS A 27 7.617 1.727 -4.325 1.00 0.00 C ATOM 375 O CYS A 27 7.551 2.928 -4.078 1.00 0.00 O ATOM 376 CB CYS A 27 7.188 0.256 -2.392 1.00 0.00 C ATOM 377 SG CYS A 27 6.802 1.372 -1.028 1.00 0.00 S ATOM 0 H CYS A 27 6.585 -1.182 -4.396 1.00 0.00 H new ATOM 0 HA CYS A 27 5.676 1.286 -3.505 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.778 -0.732 -2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.269 0.141 -2.476 1.00 0.00 H new ATOM 382 N LYS A 28 8.541 1.216 -5.169 1.00 0.00 N ATOM 383 CA LYS A 28 9.595 2.004 -5.765 1.00 0.00 C ATOM 384 C LYS A 28 9.045 3.024 -6.724 1.00 0.00 C ATOM 385 O LYS A 28 9.510 4.160 -6.772 1.00 0.00 O ATOM 386 CB LYS A 28 10.619 1.128 -6.538 1.00 0.00 C ATOM 387 CG LYS A 28 12.068 1.639 -6.448 1.00 0.00 C ATOM 388 CD LYS A 28 12.701 1.413 -5.062 1.00 0.00 C ATOM 389 CE LYS A 28 13.051 -0.059 -4.787 1.00 0.00 C ATOM 390 NZ LYS A 28 13.088 -0.349 -3.335 1.00 0.00 N ATOM 0 H LYS A 28 8.559 0.234 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 28 10.097 2.500 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.578 0.110 -6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.325 1.082 -7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.672 1.137 -7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.087 2.704 -6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.605 2.016 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.013 1.765 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.316 -0.704 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.019 -0.292 -5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.803 -1.336 -3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.053 -0.203 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.433 0.288 -2.837 1.00 0.00 H new ATOM 404 N GLU A 29 8.028 2.628 -7.523 1.00 0.00 N ATOM 405 CA GLU A 29 7.451 3.509 -8.514 1.00 0.00 C ATOM 406 C GLU A 29 6.558 4.543 -7.865 1.00 0.00 C ATOM 407 O GLU A 29 6.419 5.648 -8.383 1.00 0.00 O ATOM 408 CB GLU A 29 6.677 2.763 -9.633 1.00 0.00 C ATOM 409 CG GLU A 29 5.602 1.785 -9.143 1.00 0.00 C ATOM 410 CD GLU A 29 4.875 1.164 -10.334 1.00 0.00 C ATOM 411 OE1 GLU A 29 4.217 1.930 -11.090 1.00 0.00 O ATOM 412 OE2 GLU A 29 4.964 -0.082 -10.501 1.00 0.00 O ATOM 0 H GLU A 29 7.604 1.701 -7.486 1.00 0.00 H new ATOM 0 HA GLU A 29 8.294 4.005 -8.994 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.205 3.502 -10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.393 2.214 -10.244 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.060 1.002 -8.538 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.890 2.306 -8.504 1.00 0.00 H new ATOM 419 N LYS A 30 5.943 4.213 -6.703 1.00 0.00 N ATOM 420 CA LYS A 30 5.076 5.131 -5.990 1.00 0.00 C ATOM 421 C LYS A 30 5.876 6.019 -5.075 1.00 0.00 C ATOM 422 O LYS A 30 5.484 7.154 -4.800 1.00 0.00 O ATOM 423 CB LYS A 30 3.965 4.416 -5.190 1.00 0.00 C ATOM 424 CG LYS A 30 3.002 3.665 -6.129 1.00 0.00 C ATOM 425 CD LYS A 30 1.809 2.986 -5.434 1.00 0.00 C ATOM 426 CE LYS A 30 0.805 3.971 -4.817 1.00 0.00 C ATOM 427 NZ LYS A 30 -0.317 3.249 -4.173 1.00 0.00 N ATOM 0 H LYS A 30 6.045 3.304 -6.251 1.00 0.00 H new ATOM 0 HA LYS A 30 4.584 5.738 -6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.413 3.714 -4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.409 5.146 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.619 4.368 -6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.566 2.906 -6.672 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.289 2.358 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.184 2.327 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.309 4.597 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.419 4.635 -5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.982 3.936 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.810 2.670 -4.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.053 2.634 -3.420 1.00 0.00 H new ATOM 441 N GLY A 31 7.042 5.530 -4.609 1.00 0.00 N ATOM 442 CA GLY A 31 8.056 6.365 -4.020 1.00 0.00 C ATOM 443 C GLY A 31 8.191 6.104 -2.558 1.00 0.00 C ATOM 444 O GLY A 31 8.356 7.043 -1.781 1.00 0.00 O ATOM 0 H GLY A 31 7.288 4.541 -4.640 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.011 6.184 -4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.807 7.413 -4.183 1.00 0.00 H new ATOM 448 N GLY A 32 8.170 4.819 -2.146 1.00 0.00 N ATOM 449 CA GLY A 32 8.656 4.418 -0.849 1.00 0.00 C ATOM 450 C GLY A 32 9.838 3.551 -1.107 1.00 0.00 C ATOM 451 O GLY A 32 9.990 2.988 -2.192 1.00 0.00 O ATOM 0 H GLY A 32 7.814 4.050 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.931 5.286 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.889 3.878 -0.294 1.00 0.00 H new ATOM 455 N THR A 33 10.734 3.434 -0.105 1.00 0.00 N ATOM 456 CA THR A 33 12.065 2.924 -0.332 1.00 0.00 C ATOM 457 C THR A 33 12.117 1.449 -0.063 1.00 0.00 C ATOM 458 O THR A 33 13.118 0.785 -0.339 1.00 0.00 O ATOM 459 CB THR A 33 13.087 3.643 0.539 1.00 0.00 C ATOM 460 OG1 THR A 33 12.683 3.664 1.908 1.00 0.00 O ATOM 461 CG2 THR A 33 13.206 5.097 0.032 1.00 0.00 C ATOM 0 H THR A 33 10.541 3.691 0.863 1.00 0.00 H new ATOM 0 HA THR A 33 12.314 3.106 -1.377 1.00 0.00 H new ATOM 0 HB THR A 33 14.040 3.117 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.360 4.130 2.442 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.933 5.636 0.640 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.533 5.094 -1.008 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.236 5.589 0.106 1.00 0.00 H new ATOM 469 N SER A 34 11.045 0.888 0.520 1.00 0.00 N ATOM 470 CA SER A 34 11.012 -0.512 0.802 1.00 0.00 C ATOM 471 C SER A 34 9.569 -0.831 0.688 1.00 0.00 C ATOM 472 O SER A 34 8.741 0.035 0.978 1.00 0.00 O ATOM 473 CB SER A 34 11.486 -0.876 2.228 1.00 0.00 C ATOM 474 OG SER A 34 12.706 -0.205 2.526 1.00 0.00 O ATOM 0 H SER A 34 10.206 1.399 0.795 1.00 0.00 H new ATOM 0 HA SER A 34 11.677 -1.059 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.723 -0.598 2.955 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.626 -1.954 2.309 1.00 0.00 H new ATOM 0 HG SER A 34 12.996 -0.441 3.432 1.00 0.00 H new ATOM 480 N GLY A 35 9.248 -2.073 0.278 1.00 0.00 N ATOM 481 CA GLY A 35 7.908 -2.514 0.082 1.00 0.00 C ATOM 482 C GLY A 35 8.013 -3.845 0.710 1.00 0.00 C ATOM 483 O GLY A 35 9.041 -4.511 0.567 1.00 0.00 O ATOM 0 H GLY A 35 9.946 -2.789 0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.177 -1.872 0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.631 -2.565 -0.971 1.00 0.00 H new ATOM 487 N HIS A 36 6.983 -4.227 1.479 1.00 0.00 N ATOM 488 CA HIS A 36 6.937 -5.457 2.208 1.00 0.00 C ATOM 489 C HIS A 36 5.505 -5.854 2.041 1.00 0.00 C ATOM 490 O HIS A 36 4.821 -5.327 1.165 1.00 0.00 O ATOM 491 CB HIS A 36 7.296 -5.311 3.707 1.00 0.00 C ATOM 492 CG HIS A 36 8.685 -4.780 3.942 1.00 0.00 C ATOM 493 ND1 HIS A 36 9.808 -5.476 3.582 1.00 0.00 N ATOM 494 CD2 HIS A 36 9.101 -3.631 4.530 1.00 0.00 C ATOM 495 CE1 HIS A 36 10.871 -4.768 3.937 1.00 0.00 C ATOM 496 NE2 HIS A 36 10.469 -3.645 4.516 1.00 0.00 N ATOM 0 H HIS A 36 6.146 -3.657 1.600 1.00 0.00 H new ATOM 0 HA HIS A 36 7.666 -6.181 1.843 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.576 -4.645 4.182 1.00 0.00 H new ATOM 0 HB3 HIS A 36 7.200 -6.282 4.192 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.471 -2.852 4.933 1.00 0.00 H new ATOM 0 HE1 HIS A 36 11.899 -5.059 3.780 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.077 -2.915 4.888 1.00 0.00 H new ATOM 505 N CYS A 37 5.002 -6.778 2.882 1.00 0.00 N ATOM 506 CA CYS A 37 3.712 -7.397 2.733 1.00 0.00 C ATOM 507 C CYS A 37 2.914 -6.889 3.897 1.00 0.00 C ATOM 508 O CYS A 37 3.482 -6.288 4.807 1.00 0.00 O ATOM 509 CB CYS A 37 3.847 -8.939 2.817 1.00 0.00 C ATOM 510 SG CYS A 37 2.467 -9.878 2.106 1.00 0.00 S ATOM 0 H CYS A 37 5.512 -7.110 3.700 1.00 0.00 H new ATOM 0 HA CYS A 37 3.248 -7.165 1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.766 -9.235 2.310 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.956 -9.221 3.864 1.00 0.00 H new ATOM 515 N GLY A 38 1.587 -7.110 3.928 1.00 0.00 N ATOM 516 CA GLY A 38 0.772 -6.593 4.985 1.00 0.00 C ATOM 517 C GLY A 38 -0.536 -7.243 4.728 1.00 0.00 C ATOM 518 O GLY A 38 -0.640 -8.030 3.783 1.00 0.00 O ATOM 0 H GLY A 38 1.079 -7.645 3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.168 -6.852 5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.700 -5.506 4.947 1.00 0.00 H new ATOM 522 N PHE A 39 -1.561 -6.924 5.547 1.00 0.00 N ATOM 523 CA PHE A 39 -2.891 -7.430 5.410 1.00 0.00 C ATOM 524 C PHE A 39 -3.611 -6.271 6.032 1.00 0.00 C ATOM 525 O PHE A 39 -2.964 -5.516 6.762 1.00 0.00 O ATOM 526 CB PHE A 39 -3.138 -8.734 6.230 1.00 0.00 C ATOM 527 CG PHE A 39 -4.319 -9.515 5.708 1.00 0.00 C ATOM 528 CD1 PHE A 39 -4.138 -10.449 4.674 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.609 -9.345 6.244 1.00 0.00 C ATOM 530 CE1 PHE A 39 -5.223 -11.158 4.149 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.700 -10.047 5.716 1.00 0.00 C ATOM 532 CZ PHE A 39 -6.509 -10.951 4.664 1.00 0.00 C ATOM 0 H PHE A 39 -1.455 -6.287 6.336 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.176 -7.714 4.397 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.246 -9.359 6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.306 -8.478 7.276 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.148 -10.622 4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.759 -8.666 7.071 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.069 -11.865 3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.689 -9.891 6.121 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.351 -11.487 4.251 1.00 0.00 H new ATOM 542 N LYS A 40 -4.924 -6.096 5.769 1.00 0.00 N ATOM 543 CA LYS A 40 -5.791 -5.194 6.475 1.00 0.00 C ATOM 544 C LYS A 40 -7.082 -5.915 6.284 1.00 0.00 C ATOM 545 O LYS A 40 -7.121 -6.882 5.521 1.00 0.00 O ATOM 546 CB LYS A 40 -5.944 -3.767 5.886 1.00 0.00 C ATOM 547 CG LYS A 40 -4.861 -2.761 6.315 1.00 0.00 C ATOM 548 CD LYS A 40 -4.681 -2.583 7.840 1.00 0.00 C ATOM 549 CE LYS A 40 -5.959 -2.357 8.671 1.00 0.00 C ATOM 550 NZ LYS A 40 -6.717 -1.154 8.246 1.00 0.00 N ATOM 0 H LYS A 40 -5.404 -6.608 5.029 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.427 -5.001 7.484 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.941 -3.838 4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.918 -3.374 6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.908 -3.076 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.099 -1.790 5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.176 -3.468 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.014 -1.737 8.006 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.601 -3.234 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.690 -2.258 9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.566 -1.051 8.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.117 -0.311 8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.000 -1.256 7.250 1.00 0.00 H new ATOM 564 N VAL A 41 -8.154 -5.471 6.974 1.00 0.00 N ATOM 565 CA VAL A 41 -9.446 -6.091 6.927 1.00 0.00 C ATOM 566 C VAL A 41 -10.306 -4.948 6.476 1.00 0.00 C ATOM 567 O VAL A 41 -9.850 -3.803 6.422 1.00 0.00 O ATOM 568 CB VAL A 41 -9.953 -6.636 8.267 1.00 0.00 C ATOM 569 CG1 VAL A 41 -10.176 -8.153 8.084 1.00 0.00 C ATOM 570 CG2 VAL A 41 -8.933 -6.372 9.397 1.00 0.00 C ATOM 0 H VAL A 41 -8.119 -4.654 7.584 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.443 -6.974 6.289 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.879 -6.137 8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.538 -8.583 9.018 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.912 -8.320 7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.235 -8.628 7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.319 -6.769 10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.989 -6.861 9.157 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.770 -5.299 9.497 1.00 0.00 H new ATOM 580 N GLY A 42 -11.566 -5.256 6.095 1.00 0.00 N ATOM 581 CA GLY A 42 -12.426 -4.311 5.425 1.00 0.00 C ATOM 582 C GLY A 42 -12.018 -4.262 3.983 1.00 0.00 C ATOM 583 O GLY A 42 -12.151 -3.229 3.335 1.00 0.00 O ATOM 0 H GLY A 42 -11.995 -6.168 6.252 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.469 -4.612 5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.338 -3.325 5.881 1.00 0.00 H new ATOM 587 N HIS A 43 -11.486 -5.403 3.496 1.00 0.00 N ATOM 588 CA HIS A 43 -10.908 -5.686 2.217 1.00 0.00 C ATOM 589 C HIS A 43 -10.228 -6.946 2.672 1.00 0.00 C ATOM 590 O HIS A 43 -10.670 -7.528 3.667 1.00 0.00 O ATOM 591 CB HIS A 43 -9.833 -4.705 1.679 1.00 0.00 C ATOM 592 CG HIS A 43 -10.370 -3.391 1.198 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.698 -2.215 1.389 1.00 0.00 N ATOM 594 CD2 HIS A 43 -11.476 -3.108 0.474 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.379 -1.244 0.810 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.464 -1.759 0.249 1.00 0.00 N ATOM 0 H HIS A 43 -11.462 -6.235 4.085 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.625 -5.678 1.396 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -9.104 -4.518 2.468 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.299 -5.186 0.859 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.224 -3.811 0.138 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.098 -0.201 0.796 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.173 -1.236 -0.265 1.00 0.00 H new ATOM 605 N GLY A 44 -9.124 -7.362 2.023 1.00 0.00 N ATOM 606 CA GLY A 44 -8.308 -8.423 2.504 1.00 0.00 C ATOM 607 C GLY A 44 -7.041 -8.054 1.832 1.00 0.00 C ATOM 608 O GLY A 44 -7.115 -7.452 0.758 1.00 0.00 O ATOM 0 H GLY A 44 -8.797 -6.951 1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.223 -8.431 3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.674 -9.406 2.206 1.00 0.00 H new ATOM 612 N LEU A 45 -5.888 -8.395 2.455 1.00 0.00 N ATOM 613 CA LEU A 45 -4.551 -8.203 1.935 1.00 0.00 C ATOM 614 C LEU A 45 -4.206 -6.732 2.027 1.00 0.00 C ATOM 615 O LEU A 45 -5.024 -5.942 2.490 1.00 0.00 O ATOM 616 CB LEU A 45 -4.350 -8.850 0.533 1.00 0.00 C ATOM 617 CG LEU A 45 -3.007 -9.568 0.216 1.00 0.00 C ATOM 618 CD1 LEU A 45 -2.414 -10.446 1.337 1.00 0.00 C ATOM 619 CD2 LEU A 45 -3.190 -10.445 -1.040 1.00 0.00 C ATOM 0 H LEU A 45 -5.886 -8.831 3.377 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.829 -8.743 2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.152 -9.574 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.488 -8.067 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.291 -8.758 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.480 -10.891 0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.222 -9.832 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.120 -11.236 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.253 -10.952 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.968 -11.186 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.479 -9.817 -1.883 1.00 0.00 H new ATOM 631 N ALA A 46 -2.976 -6.334 1.655 1.00 0.00 N ATOM 632 CA ALA A 46 -2.568 -4.965 1.576 1.00 0.00 C ATOM 633 C ALA A 46 -1.185 -5.193 1.092 1.00 0.00 C ATOM 634 O ALA A 46 -0.848 -6.335 0.769 1.00 0.00 O ATOM 635 CB ALA A 46 -2.540 -4.168 2.906 1.00 0.00 C ATOM 0 H ALA A 46 -2.238 -6.990 1.400 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.247 -4.357 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.215 -3.146 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.539 -4.154 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.847 -4.643 3.600 1.00 0.00 H new ATOM 641 N CYS A 47 -0.339 -4.146 1.081 1.00 0.00 N ATOM 642 CA CYS A 47 1.082 -4.382 1.164 1.00 0.00 C ATOM 643 C CYS A 47 1.449 -3.400 2.215 1.00 0.00 C ATOM 644 O CYS A 47 0.574 -2.676 2.686 1.00 0.00 O ATOM 645 CB CYS A 47 1.887 -4.143 -0.139 1.00 0.00 C ATOM 646 SG CYS A 47 2.382 -5.717 -0.879 1.00 0.00 S ATOM 0 H CYS A 47 -0.618 -3.167 1.017 1.00 0.00 H new ATOM 0 HA CYS A 47 1.315 -5.427 1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.283 -3.576 -0.847 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.771 -3.543 0.078 1.00 0.00 H new ATOM 651 N TRP A 48 2.736 -3.345 2.607 1.00 0.00 N ATOM 652 CA TRP A 48 3.220 -2.430 3.603 1.00 0.00 C ATOM 653 C TRP A 48 4.354 -1.767 2.888 1.00 0.00 C ATOM 654 O TRP A 48 4.997 -2.414 2.059 1.00 0.00 O ATOM 655 CB TRP A 48 3.675 -3.164 4.898 1.00 0.00 C ATOM 656 CG TRP A 48 4.535 -2.381 5.866 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.873 -2.166 5.741 1.00 0.00 C ATOM 658 CD2 TRP A 48 4.115 -1.658 7.040 1.00 0.00 C ATOM 659 NE1 TRP A 48 6.321 -1.334 6.724 1.00 0.00 N ATOM 660 CE2 TRP A 48 5.260 -1.003 7.545 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.875 -1.521 7.657 1.00 0.00 C ATOM 662 CZ2 TRP A 48 5.179 -0.186 8.668 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.795 -0.708 8.797 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.928 -0.045 9.291 1.00 0.00 C ATOM 0 H TRP A 48 3.461 -3.951 2.223 1.00 0.00 H new ATOM 0 HA TRP A 48 2.467 -1.728 3.961 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.784 -3.497 5.430 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.224 -4.059 4.605 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.495 -2.595 4.969 1.00 0.00 H new ATOM 0 HE1 TRP A 48 7.282 -1.009 6.835 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.002 -2.025 7.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 6.051 0.324 9.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.847 -0.591 9.302 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.837 0.584 10.164 1.00 0.00 H new ATOM 675 N CYS A 49 4.599 -0.468 3.175 1.00 0.00 N ATOM 676 CA CYS A 49 5.661 0.289 2.567 1.00 0.00 C ATOM 677 C CYS A 49 6.228 1.125 3.664 1.00 0.00 C ATOM 678 O CYS A 49 5.542 1.431 4.640 1.00 0.00 O ATOM 679 CB CYS A 49 5.185 1.263 1.468 1.00 0.00 C ATOM 680 SG CYS A 49 5.174 0.517 -0.181 1.00 0.00 S ATOM 0 H CYS A 49 4.047 0.068 3.844 1.00 0.00 H new ATOM 0 HA CYS A 49 6.358 -0.407 2.100 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.181 1.612 1.710 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.834 2.139 1.460 1.00 0.00 H new ATOM 685 N ASN A 50 7.505 1.533 3.499 1.00 0.00 N ATOM 686 CA ASN A 50 8.207 2.366 4.439 1.00 0.00 C ATOM 687 C ASN A 50 8.699 3.526 3.631 1.00 0.00 C ATOM 688 O ASN A 50 9.122 3.346 2.487 1.00 0.00 O ATOM 689 CB ASN A 50 9.467 1.717 5.080 1.00 0.00 C ATOM 690 CG ASN A 50 9.079 0.714 6.173 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.765 -0.449 5.902 1.00 0.00 O ATOM 692 ND2 ASN A 50 9.093 1.177 7.460 1.00 0.00 N ATOM 0 H ASN A 50 8.067 1.276 2.687 1.00 0.00 H new ATOM 0 HA ASN A 50 7.525 2.598 5.257 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.051 1.212 4.310 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.103 2.494 5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.839 0.556 8.228 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.357 2.143 7.651 1.00 0.00 H new ATOM 699 N ALA A 51 8.663 4.727 4.257 1.00 0.00 N ATOM 700 CA ALA A 51 9.189 5.993 3.805 1.00 0.00 C ATOM 701 C ALA A 51 8.483 6.482 2.580 1.00 0.00 C ATOM 702 O ALA A 51 9.111 6.784 1.570 1.00 0.00 O ATOM 703 CB ALA A 51 10.719 6.037 3.617 1.00 0.00 C ATOM 0 H ALA A 51 8.221 4.819 5.172 1.00 0.00 H new ATOM 0 HA ALA A 51 8.985 6.677 4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.015 7.029 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.209 5.818 4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.016 5.295 2.876 1.00 0.00 H new ATOM 709 N LEU A 52 7.142 6.603 2.668 1.00 0.00 N ATOM 710 CA LEU A 52 6.339 7.142 1.593 1.00 0.00 C ATOM 711 C LEU A 52 6.139 8.593 1.938 1.00 0.00 C ATOM 712 O LEU A 52 5.803 8.846 3.094 1.00 0.00 O ATOM 713 CB LEU A 52 4.920 6.527 1.501 1.00 0.00 C ATOM 714 CG LEU A 52 4.866 5.064 1.007 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.470 4.481 1.274 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.217 4.929 -0.485 1.00 0.00 C ATOM 0 H LEU A 52 6.604 6.326 3.489 1.00 0.00 H new ATOM 0 HA LEU A 52 6.848 6.941 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.455 6.578 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.318 7.142 0.832 1.00 0.00 H new ATOM 0 HG LEU A 52 5.619 4.505 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.434 3.449 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.262 4.510 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.722 5.070 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.163 3.880 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.510 5.508 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.227 5.302 -0.656 1.00 0.00 H new ATOM 728 N PRO A 53 6.315 9.570 1.057 1.00 0.00 N ATOM 729 CA PRO A 53 6.001 10.951 1.354 1.00 0.00 C ATOM 730 C PRO A 53 4.514 11.193 1.377 1.00 0.00 C ATOM 731 O PRO A 53 3.723 10.313 1.046 1.00 0.00 O ATOM 732 CB PRO A 53 6.664 11.792 0.245 1.00 0.00 C ATOM 733 CG PRO A 53 7.270 10.812 -0.773 1.00 0.00 C ATOM 734 CD PRO A 53 6.990 9.408 -0.225 1.00 0.00 C ATOM 0 HA PRO A 53 6.371 11.221 2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.931 12.440 -0.235 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.436 12.438 0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.820 10.944 -1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.341 10.980 -0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.368 8.842 -0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.919 8.851 -0.103 1.00 0.00 H new ATOM 742 N ASP A 54 4.146 12.429 1.755 1.00 0.00 N ATOM 743 CA ASP A 54 2.797 12.893 1.983 1.00 0.00 C ATOM 744 C ASP A 54 1.903 12.847 0.777 1.00 0.00 C ATOM 745 O ASP A 54 0.681 12.899 0.910 1.00 0.00 O ATOM 746 CB ASP A 54 2.807 14.379 2.390 1.00 0.00 C ATOM 747 CG ASP A 54 3.580 14.558 3.695 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.069 14.103 4.753 1.00 0.00 O ATOM 749 OD2 ASP A 54 4.698 15.139 3.646 1.00 0.00 O ATOM 0 H ASP A 54 4.836 13.163 1.915 1.00 0.00 H new ATOM 0 HA ASP A 54 2.417 12.218 2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.264 14.977 1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.785 14.738 2.511 1.00 0.00 H new ATOM 754 N ASN A 55 2.481 12.775 -0.440 1.00 0.00 N ATOM 755 CA ASN A 55 1.713 12.785 -1.662 1.00 0.00 C ATOM 756 C ASN A 55 1.145 11.421 -1.913 1.00 0.00 C ATOM 757 O ASN A 55 0.252 11.269 -2.744 1.00 0.00 O ATOM 758 CB ASN A 55 2.516 13.226 -2.923 1.00 0.00 C ATOM 759 CG ASN A 55 3.716 12.310 -3.201 1.00 0.00 C ATOM 760 OD1 ASN A 55 4.632 12.249 -2.373 1.00 0.00 O ATOM 761 ND2 ASN A 55 3.695 11.589 -4.358 1.00 0.00 N ATOM 0 H ASN A 55 3.489 12.709 -0.583 1.00 0.00 H new ATOM 0 HA ASN A 55 0.930 13.528 -1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.855 13.227 -3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.867 14.249 -2.788 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.464 10.956 -4.579 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.910 11.682 -5.003 1.00 0.00 H new ATOM 768 N VAL A 56 1.662 10.391 -1.212 1.00 0.00 N ATOM 769 CA VAL A 56 1.207 9.047 -1.404 1.00 0.00 C ATOM 770 C VAL A 56 0.144 8.871 -0.364 1.00 0.00 C ATOM 771 O VAL A 56 0.358 9.176 0.807 1.00 0.00 O ATOM 772 CB VAL A 56 2.300 8.002 -1.232 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.866 6.733 -1.996 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.644 8.570 -1.750 1.00 0.00 C ATOM 0 H VAL A 56 2.396 10.491 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 56 0.853 8.901 -2.425 1.00 0.00 H new ATOM 0 HB VAL A 56 2.446 7.745 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.632 5.965 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.925 6.366 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.734 6.971 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.427 7.822 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.549 8.825 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.904 9.464 -1.183 1.00 0.00 H new ATOM 784 N GLY A 57 -1.039 8.378 -0.767 1.00 0.00 N ATOM 785 CA GLY A 57 -2.129 8.179 0.140 1.00 0.00 C ATOM 786 C GLY A 57 -2.301 6.711 0.073 1.00 0.00 C ATOM 787 O GLY A 57 -1.970 6.081 -0.933 1.00 0.00 O ATOM 0 H GLY A 57 -1.244 8.114 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.892 8.519 1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.027 8.712 -0.173 1.00 0.00 H new ATOM 791 N ILE A 58 -2.755 6.138 1.192 1.00 0.00 N ATOM 792 CA ILE A 58 -2.649 4.745 1.477 1.00 0.00 C ATOM 793 C ILE A 58 -4.019 4.391 1.950 1.00 0.00 C ATOM 794 O ILE A 58 -4.992 4.907 1.405 1.00 0.00 O ATOM 795 CB ILE A 58 -1.508 4.488 2.455 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.558 5.376 3.725 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.173 4.692 1.700 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.509 4.969 4.767 1.00 0.00 C ATOM 0 H ILE A 58 -3.217 6.666 1.933 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.378 4.110 0.634 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.604 3.465 2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.401 6.417 3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.551 5.313 4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.660 4.514 2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.117 3.993 0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.121 5.713 1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.587 5.622 5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.681 3.937 5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.487 5.058 4.334 1.00 0.00 H new ATOM 810 N ILE A 59 -4.158 3.484 2.943 1.00 0.00 N ATOM 811 CA ILE A 59 -5.465 3.021 3.360 1.00 0.00 C ATOM 812 C ILE A 59 -6.196 4.177 4.002 1.00 0.00 C ATOM 813 O ILE A 59 -5.704 4.770 4.958 1.00 0.00 O ATOM 814 CB ILE A 59 -5.469 1.836 4.327 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.327 0.821 4.101 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.854 1.155 4.243 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.253 0.226 2.698 1.00 0.00 C ATOM 0 H ILE A 59 -3.378 3.072 3.455 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.954 2.657 2.456 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.284 2.224 5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.378 1.311 4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.439 0.007 4.818 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.883 0.305 4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.628 1.870 4.521 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.028 0.809 3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.419 -0.473 2.643 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.182 -0.299 2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.105 1.025 1.971 1.00 0.00 H new ATOM 829 N VAL A 60 -7.368 4.546 3.446 1.00 0.00 N ATOM 830 CA VAL A 60 -8.174 5.646 3.905 1.00 0.00 C ATOM 831 C VAL A 60 -8.972 5.131 5.061 1.00 0.00 C ATOM 832 O VAL A 60 -8.980 5.735 6.128 1.00 0.00 O ATOM 833 CB VAL A 60 -9.076 6.221 2.815 1.00 0.00 C ATOM 834 CG1 VAL A 60 -9.895 7.416 3.348 1.00 0.00 C ATOM 835 CG2 VAL A 60 -8.198 6.652 1.619 1.00 0.00 C ATOM 0 H VAL A 60 -7.772 4.061 2.645 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.534 6.477 4.200 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.785 5.458 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.529 7.807 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.518 7.088 4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.217 8.198 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.831 7.065 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.485 7.409 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.658 5.787 1.233 1.00 0.00 H new