USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 432 hydrogens (14 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 NoAdj-H: A 25 ASNHD21 : A 25 ASN ND2 : A 60 NAG C1 :(H bumps) USER MOD Set 1.1: A 43 THR OG1 : rot 160:sc= 0 USER MOD Set 1.2: A 44 THR OG1 : rot 170:sc= -0.55 USER MOD Set 2.1: A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.095) USER MOD Set 2.2: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 5 THR OG1 : rot -26:sc= 1.4 USER MOD Set 3.2: A 10 SER OG : rot 175:sc= 0.724 USER MOD Single : A 1 VAL N :NH3+ -139:sc= -0.919 (180deg=-1.77!) USER MOD Single : A 4 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.067) USER MOD Single : A 9 ASN : amide:sc= -6.66! C(o=-6.7!,f=-16!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-1.9!) USER MOD Single : A 21 TYR OH : rot 30:sc= -0.495 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc=-0.000672 USER MOD Single : A 37 ASN : amide:sc= -0.702 X(o=-0.7,f=-0.34) USER MOD Single : A 38 MET CE :methyl 150:sc= -1.23 (180deg=-3.18!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.62) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0474 X(o=-0.047,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= 0.773 (180deg=0.258) USER MOD Single : A 58 MET CE :methyl 162:sc= -0.121 (180deg=-0.303) USER MOD Single : A 60 NAG O3 : rot 150:sc= 0.0352 USER MOD Single : A 60 NAG O4 : rot 160:sc= 0.0277 USER MOD Single : A 60 NAG O6 : rot 23:sc= 0.461 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.300 -1.146 -15.309 1.00 0.00 N ATOM 2 CA VAL A 1 0.560 -0.905 -13.860 1.00 0.00 C ATOM 3 C VAL A 1 -0.426 -1.708 -13.008 1.00 0.00 C ATOM 4 O VAL A 1 -1.592 -1.377 -12.912 1.00 0.00 O ATOM 5 CB VAL A 1 0.342 0.595 -13.663 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.605 0.962 -12.201 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.303 1.372 -14.564 1.00 0.00 C ATOM 0 H1 VAL A 1 1.205 -1.240 -15.813 1.00 0.00 H new ATOM 0 H2 VAL A 1 -0.252 -2.020 -15.422 1.00 0.00 H new ATOM 0 H3 VAL A 1 -0.234 -0.346 -15.704 1.00 0.00 H new ATOM 0 HA VAL A 1 1.562 -1.213 -13.562 1.00 0.00 H new ATOM 0 HB VAL A 1 -0.686 0.849 -13.922 1.00 0.00 H new ATOM 0 HG11 VAL A 1 0.450 2.032 -12.061 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.079 0.408 -11.558 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.633 0.708 -11.941 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.148 2.442 -14.424 1.00 0.00 H new ATOM 0 HG22 VAL A 1 2.331 1.117 -14.305 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.116 1.111 -15.606 1.00 0.00 H new ATOM 19 N LEU A 2 0.030 -2.763 -12.390 1.00 0.00 N ATOM 20 CA LEU A 2 -0.886 -3.586 -11.550 1.00 0.00 C ATOM 21 C LEU A 2 -0.266 -3.849 -10.175 1.00 0.00 C ATOM 22 O LEU A 2 0.658 -4.627 -10.038 1.00 0.00 O ATOM 23 CB LEU A 2 -1.053 -4.897 -12.317 1.00 0.00 C ATOM 24 CG LEU A 2 -1.956 -4.667 -13.531 1.00 0.00 C ATOM 25 CD1 LEU A 2 -1.098 -4.575 -14.795 1.00 0.00 C ATOM 26 CD2 LEU A 2 -2.936 -5.836 -13.664 1.00 0.00 C ATOM 0 H LEU A 2 0.995 -3.090 -12.430 1.00 0.00 H new ATOM 0 HA LEU A 2 -1.839 -3.086 -11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -0.080 -5.269 -12.639 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -1.486 -5.658 -11.668 1.00 0.00 H new ATOM 0 HG LEU A 2 -2.512 -3.738 -13.401 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.741 -4.411 -15.660 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.398 -3.744 -14.700 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.543 -5.504 -14.926 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.580 -5.674 -14.528 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.380 -6.764 -13.795 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -3.547 -5.903 -12.764 1.00 0.00 H new ATOM 38 N VAL A 3 -0.773 -3.214 -9.153 1.00 0.00 N ATOM 39 CA VAL A 3 -0.220 -3.437 -7.786 1.00 0.00 C ATOM 40 C VAL A 3 -1.117 -4.409 -7.016 1.00 0.00 C ATOM 41 O VAL A 3 -2.002 -4.008 -6.291 1.00 0.00 O ATOM 42 CB VAL A 3 -0.230 -2.059 -7.122 1.00 0.00 C ATOM 43 CG1 VAL A 3 0.520 -2.132 -5.791 1.00 0.00 C ATOM 44 CG2 VAL A 3 0.455 -1.043 -8.038 1.00 0.00 C ATOM 0 H VAL A 3 -1.546 -2.551 -9.205 1.00 0.00 H new ATOM 0 HA VAL A 3 0.781 -3.868 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.260 -1.749 -6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.514 -1.151 -5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.032 -2.855 -5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.549 -2.442 -5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.447 -0.062 -7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.485 -1.351 -8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.078 -0.991 -8.987 1.00 0.00 H new ATOM 54 N GLN A 4 -0.903 -5.685 -7.175 1.00 0.00 N ATOM 55 CA GLN A 4 -1.756 -6.677 -6.458 1.00 0.00 C ATOM 56 C GLN A 4 -1.057 -7.179 -5.194 1.00 0.00 C ATOM 57 O GLN A 4 0.114 -7.497 -5.202 1.00 0.00 O ATOM 58 CB GLN A 4 -1.952 -7.819 -7.453 1.00 0.00 C ATOM 59 CG GLN A 4 -2.795 -7.331 -8.634 1.00 0.00 C ATOM 60 CD GLN A 4 -2.365 -8.064 -9.907 1.00 0.00 C ATOM 61 OE1 GLN A 4 -3.181 -8.654 -10.587 1.00 0.00 O ATOM 62 NE2 GLN A 4 -1.109 -8.051 -10.260 1.00 0.00 N ATOM 0 H GLN A 4 -0.176 -6.085 -7.769 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.703 -6.244 -6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.985 -8.177 -7.807 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.444 -8.660 -6.965 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.852 -7.510 -8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.672 -6.256 -8.762 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.424 -7.556 -9.689 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.812 -8.536 -11.107 1.00 0.00 H new ATOM 71 N THR A 5 -1.776 -7.253 -4.108 1.00 0.00 N ATOM 72 CA THR A 5 -1.165 -7.738 -2.841 1.00 0.00 C ATOM 73 C THR A 5 -1.930 -8.959 -2.327 1.00 0.00 C ATOM 74 O THR A 5 -3.145 -8.991 -2.337 1.00 0.00 O ATOM 75 CB THR A 5 -1.300 -6.576 -1.855 1.00 0.00 C ATOM 76 OG1 THR A 5 -2.644 -6.493 -1.405 1.00 0.00 O ATOM 77 CG2 THR A 5 -0.904 -5.262 -2.535 1.00 0.00 C ATOM 0 H THR A 5 -2.762 -6.998 -4.044 1.00 0.00 H new ATOM 0 HA THR A 5 -0.125 -8.037 -2.975 1.00 0.00 H new ATOM 0 HB THR A 5 -0.639 -6.749 -1.005 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.240 -6.879 -2.081 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.003 -4.441 -1.825 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.130 -5.325 -2.874 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.556 -5.084 -3.390 1.00 0.00 H new ATOM 85 N ARG A 6 -1.231 -9.962 -1.876 1.00 0.00 N ATOM 86 CA ARG A 6 -1.924 -11.177 -1.360 1.00 0.00 C ATOM 87 C ARG A 6 -1.060 -11.863 -0.300 1.00 0.00 C ATOM 88 O ARG A 6 -0.778 -13.042 -0.378 1.00 0.00 O ATOM 89 CB ARG A 6 -2.102 -12.082 -2.578 1.00 0.00 C ATOM 90 CG ARG A 6 -3.034 -13.241 -2.217 1.00 0.00 C ATOM 91 CD ARG A 6 -4.103 -13.394 -3.301 1.00 0.00 C ATOM 92 NE ARG A 6 -4.118 -14.850 -3.616 1.00 0.00 N ATOM 93 CZ ARG A 6 -3.591 -15.282 -4.729 1.00 0.00 C ATOM 94 NH1 ARG A 6 -4.325 -15.376 -5.804 1.00 0.00 N ATOM 95 NH2 ARG A 6 -2.332 -15.624 -4.767 1.00 0.00 N ATOM 0 H ARG A 6 -0.212 -9.994 -1.842 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.878 -10.941 -0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.516 -11.513 -3.410 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.135 -12.466 -2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.463 -14.165 -2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.504 -13.056 -1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.077 -13.056 -2.947 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.860 -12.801 -4.183 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.540 -15.509 -2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.310 -15.112 -5.774 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.914 -15.714 -6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.759 -15.554 -3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.921 -15.962 -5.638 1.00 0.00 H new ATOM 109 N GLY A 7 -0.638 -11.127 0.688 1.00 0.00 N ATOM 110 CA GLY A 7 0.209 -11.721 1.758 1.00 0.00 C ATOM 111 C GLY A 7 0.150 -10.829 2.999 1.00 0.00 C ATOM 112 O GLY A 7 0.124 -11.306 4.116 1.00 0.00 O ATOM 0 H GLY A 7 -0.844 -10.135 0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.140 -12.725 2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.238 -11.816 1.413 1.00 0.00 H new ATOM 116 N GLY A 8 0.125 -9.537 2.811 1.00 0.00 N ATOM 117 CA GLY A 8 0.063 -8.613 3.978 1.00 0.00 C ATOM 118 C GLY A 8 -1.168 -8.943 4.822 1.00 0.00 C ATOM 119 O GLY A 8 -1.244 -9.978 5.452 1.00 0.00 O ATOM 0 H GLY A 8 0.145 -9.082 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.967 -8.709 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.016 -7.579 3.635 1.00 0.00 H new ATOM 123 N ASN A 9 -2.131 -8.066 4.841 1.00 0.00 N ATOM 124 CA ASN A 9 -3.360 -8.326 5.645 1.00 0.00 C ATOM 125 C ASN A 9 -4.614 -8.040 4.814 1.00 0.00 C ATOM 126 O ASN A 9 -5.702 -7.910 5.339 1.00 0.00 O ATOM 127 CB ASN A 9 -3.277 -7.376 6.841 1.00 0.00 C ATOM 128 CG ASN A 9 -2.708 -6.040 6.402 1.00 0.00 C ATOM 129 OD1 ASN A 9 -3.106 -5.492 5.393 1.00 0.00 O ATOM 130 ND2 ASN A 9 -1.786 -5.488 7.123 1.00 0.00 N ATOM 0 H ASN A 9 -2.122 -7.180 4.335 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.423 -9.367 5.963 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -4.268 -7.235 7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.649 -7.811 7.619 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.391 -4.590 6.845 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -1.455 -5.951 7.969 1.00 0.00 H new ATOM 137 N SER A 10 -4.471 -7.939 3.520 1.00 0.00 N ATOM 138 CA SER A 10 -5.657 -7.663 2.658 1.00 0.00 C ATOM 139 C SER A 10 -6.334 -8.973 2.250 1.00 0.00 C ATOM 140 O SER A 10 -7.369 -8.977 1.615 1.00 0.00 O ATOM 141 CB SER A 10 -5.097 -6.943 1.432 1.00 0.00 C ATOM 142 OG SER A 10 -3.851 -7.520 1.069 1.00 0.00 O ATOM 0 H SER A 10 -3.586 -8.035 3.023 1.00 0.00 H new ATOM 0 HA SER A 10 -6.410 -7.066 3.172 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.799 -7.017 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.969 -5.882 1.647 1.00 0.00 H new ATOM 0 HG SER A 10 -3.534 -7.115 0.235 1.00 0.00 H new ATOM 148 N ASN A 11 -5.759 -10.083 2.618 1.00 0.00 N ATOM 149 CA ASN A 11 -6.372 -11.395 2.257 1.00 0.00 C ATOM 150 C ASN A 11 -6.424 -11.558 0.734 1.00 0.00 C ATOM 151 O ASN A 11 -7.140 -12.389 0.215 1.00 0.00 O ATOM 152 CB ASN A 11 -7.784 -11.340 2.837 1.00 0.00 C ATOM 153 CG ASN A 11 -8.044 -12.599 3.666 1.00 0.00 C ATOM 154 OD1 ASN A 11 -7.436 -12.796 4.699 1.00 0.00 O ATOM 155 ND2 ASN A 11 -8.930 -13.463 3.256 1.00 0.00 N ATOM 0 H ASN A 11 -4.892 -10.141 3.152 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.801 -12.238 2.645 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.899 -10.452 3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.516 -11.263 2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.113 -14.305 3.803 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.440 -13.297 2.389 1.00 0.00 H new ATOM 162 N GLY A 12 -5.673 -10.770 0.016 1.00 0.00 N ATOM 163 CA GLY A 12 -5.685 -10.883 -1.471 1.00 0.00 C ATOM 164 C GLY A 12 -6.447 -9.696 -2.064 1.00 0.00 C ATOM 165 O GLY A 12 -7.521 -9.846 -2.611 1.00 0.00 O ATOM 0 H GLY A 12 -5.052 -10.054 0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.665 -10.902 -1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.156 -11.819 -1.772 1.00 0.00 H new ATOM 169 N ALA A 13 -5.897 -8.517 -1.962 1.00 0.00 N ATOM 170 CA ALA A 13 -6.590 -7.320 -2.523 1.00 0.00 C ATOM 171 C ALA A 13 -5.587 -6.431 -3.261 1.00 0.00 C ATOM 172 O ALA A 13 -4.466 -6.254 -2.829 1.00 0.00 O ATOM 173 CB ALA A 13 -7.163 -6.588 -1.309 1.00 0.00 C ATOM 0 H ALA A 13 -4.999 -8.330 -1.515 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.366 -7.589 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.690 -5.693 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.857 -7.244 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.352 -6.305 -0.638 1.00 0.00 H new ATOM 179 N LEU A 14 -5.979 -5.870 -4.371 1.00 0.00 N ATOM 180 CA LEU A 14 -5.042 -4.994 -5.132 1.00 0.00 C ATOM 181 C LEU A 14 -4.953 -3.617 -4.472 1.00 0.00 C ATOM 182 O LEU A 14 -5.954 -2.995 -4.177 1.00 0.00 O ATOM 183 CB LEU A 14 -5.654 -4.879 -6.528 1.00 0.00 C ATOM 184 CG LEU A 14 -4.546 -4.623 -7.551 1.00 0.00 C ATOM 185 CD1 LEU A 14 -5.067 -4.928 -8.957 1.00 0.00 C ATOM 186 CD2 LEU A 14 -4.103 -3.163 -7.475 1.00 0.00 C ATOM 0 H LEU A 14 -6.905 -5.979 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.030 -5.399 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.190 -5.794 -6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.381 -4.067 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.696 -5.269 -7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.277 -4.745 -9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.377 -5.972 -9.012 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.919 -4.285 -9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.314 -2.984 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.951 -2.514 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.728 -2.948 -6.474 1.00 0.00 H new ATOM 198 N CYS A 15 -3.763 -3.132 -4.239 1.00 0.00 N ATOM 199 CA CYS A 15 -3.627 -1.791 -3.599 1.00 0.00 C ATOM 200 C CYS A 15 -4.510 -0.781 -4.331 1.00 0.00 C ATOM 201 O CYS A 15 -4.955 -1.020 -5.436 1.00 0.00 O ATOM 202 CB CYS A 15 -2.153 -1.406 -3.751 1.00 0.00 C ATOM 203 SG CYS A 15 -1.921 0.296 -3.172 1.00 0.00 S ATOM 0 H CYS A 15 -2.885 -3.602 -4.462 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.932 -1.805 -2.553 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.525 -2.087 -3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.847 -1.493 -4.794 1.00 0.00 H new ATOM 208 N HIS A 16 -4.760 0.350 -3.734 1.00 0.00 N ATOM 209 CA HIS A 16 -5.606 1.370 -4.416 1.00 0.00 C ATOM 210 C HIS A 16 -4.922 2.737 -4.369 1.00 0.00 C ATOM 211 O HIS A 16 -3.965 2.945 -3.650 1.00 0.00 O ATOM 212 CB HIS A 16 -6.939 1.372 -3.651 1.00 0.00 C ATOM 213 CG HIS A 16 -7.518 2.764 -3.579 1.00 0.00 C ATOM 214 ND1 HIS A 16 -7.120 3.683 -2.621 1.00 0.00 N ATOM 215 CD2 HIS A 16 -8.470 3.402 -4.336 1.00 0.00 C ATOM 216 CE1 HIS A 16 -7.824 4.812 -2.825 1.00 0.00 C ATOM 217 NE2 HIS A 16 -8.661 4.694 -3.858 1.00 0.00 N ATOM 0 H HIS A 16 -4.418 0.612 -2.809 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.764 1.145 -5.471 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.646 0.705 -4.144 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.785 0.986 -2.644 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.991 2.966 -5.175 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -7.724 5.705 -2.226 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -9.303 5.400 -4.219 1.00 0.00 H new ATOM 225 N PHE A 17 -5.413 3.663 -5.137 1.00 0.00 N ATOM 226 CA PHE A 17 -4.799 5.023 -5.148 1.00 0.00 C ATOM 227 C PHE A 17 -5.852 6.092 -5.467 1.00 0.00 C ATOM 228 O PHE A 17 -6.757 5.853 -6.242 1.00 0.00 O ATOM 229 CB PHE A 17 -3.753 4.979 -6.263 1.00 0.00 C ATOM 230 CG PHE A 17 -2.902 3.740 -6.123 1.00 0.00 C ATOM 231 CD1 PHE A 17 -3.330 2.529 -6.679 1.00 0.00 C ATOM 232 CD2 PHE A 17 -1.680 3.806 -5.442 1.00 0.00 C ATOM 233 CE1 PHE A 17 -2.537 1.383 -6.552 1.00 0.00 C ATOM 234 CE2 PHE A 17 -0.887 2.660 -5.317 1.00 0.00 C ATOM 235 CZ PHE A 17 -1.316 1.448 -5.871 1.00 0.00 C ATOM 0 H PHE A 17 -6.212 3.541 -5.759 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.368 5.276 -4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.245 4.984 -7.235 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.125 5.869 -6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.272 2.479 -7.206 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.350 4.741 -5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.867 0.448 -6.980 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.056 2.710 -4.793 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.705 0.563 -5.773 1.00 0.00 H new ATOM 245 N PRO A 18 -5.678 7.257 -4.890 1.00 0.00 N ATOM 246 CA PRO A 18 -4.560 7.517 -3.948 1.00 0.00 C ATOM 247 C PRO A 18 -4.868 6.875 -2.590 1.00 0.00 C ATOM 248 O PRO A 18 -5.996 6.887 -2.138 1.00 0.00 O ATOM 249 CB PRO A 18 -4.581 9.044 -3.833 1.00 0.00 C ATOM 250 CG PRO A 18 -5.733 9.584 -4.704 1.00 0.00 C ATOM 251 CD PRO A 18 -6.577 8.393 -5.179 1.00 0.00 C ATOM 0 HA PRO A 18 -3.599 7.117 -4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.719 9.344 -2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.629 9.462 -4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.347 10.280 -4.133 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.338 10.134 -5.558 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.520 8.317 -4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.823 8.462 -6.239 1.00 0.00 H new ATOM 259 N PHE A 19 -3.888 6.322 -1.928 1.00 0.00 N ATOM 260 CA PHE A 19 -4.171 5.698 -0.602 1.00 0.00 C ATOM 261 C PHE A 19 -3.443 6.453 0.514 1.00 0.00 C ATOM 262 O PHE A 19 -2.230 6.511 0.558 1.00 0.00 O ATOM 263 CB PHE A 19 -3.697 4.244 -0.720 1.00 0.00 C ATOM 264 CG PHE A 19 -2.244 4.094 -0.323 1.00 0.00 C ATOM 265 CD1 PHE A 19 -1.227 4.555 -1.167 1.00 0.00 C ATOM 266 CD2 PHE A 19 -1.915 3.454 0.877 1.00 0.00 C ATOM 267 CE1 PHE A 19 0.115 4.371 -0.814 1.00 0.00 C ATOM 268 CE2 PHE A 19 -0.573 3.278 1.235 1.00 0.00 C ATOM 269 CZ PHE A 19 0.442 3.734 0.387 1.00 0.00 C ATOM 0 H PHE A 19 -2.918 6.275 -2.241 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.229 5.738 -0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.315 3.607 -0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.831 3.900 -1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.478 5.053 -2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.698 3.095 1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.898 4.721 -1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.321 2.790 2.165 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.478 3.594 0.660 1.00 0.00 H new ATOM 279 N LEU A 20 -4.190 7.039 1.410 1.00 0.00 N ATOM 280 CA LEU A 20 -3.568 7.802 2.527 1.00 0.00 C ATOM 281 C LEU A 20 -2.725 6.874 3.399 1.00 0.00 C ATOM 282 O LEU A 20 -3.217 5.916 3.962 1.00 0.00 O ATOM 283 CB LEU A 20 -4.745 8.359 3.328 1.00 0.00 C ATOM 284 CG LEU A 20 -4.519 9.845 3.608 1.00 0.00 C ATOM 285 CD1 LEU A 20 -5.742 10.417 4.325 1.00 0.00 C ATOM 286 CD2 LEU A 20 -3.282 10.014 4.493 1.00 0.00 C ATOM 0 H LEU A 20 -5.210 7.021 1.415 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.906 8.590 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.673 8.220 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.850 7.814 4.266 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.367 10.375 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.583 11.477 4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.623 10.295 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.893 9.888 5.266 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.120 11.073 4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.433 9.486 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.411 9.604 3.983 1.00 0.00 H new ATOM 298 N TYR A 21 -1.460 7.154 3.517 1.00 0.00 N ATOM 299 CA TYR A 21 -0.580 6.295 4.356 1.00 0.00 C ATOM 300 C TYR A 21 0.093 7.148 5.436 1.00 0.00 C ATOM 301 O TYR A 21 1.078 7.815 5.188 1.00 0.00 O ATOM 302 CB TYR A 21 0.458 5.727 3.386 1.00 0.00 C ATOM 303 CG TYR A 21 1.621 5.169 4.171 1.00 0.00 C ATOM 304 CD1 TYR A 21 1.387 4.321 5.261 1.00 0.00 C ATOM 305 CD2 TYR A 21 2.931 5.504 3.813 1.00 0.00 C ATOM 306 CE1 TYR A 21 2.466 3.808 5.990 1.00 0.00 C ATOM 307 CE2 TYR A 21 4.010 4.991 4.543 1.00 0.00 C ATOM 308 CZ TYR A 21 3.777 4.142 5.631 1.00 0.00 C ATOM 309 OH TYR A 21 4.841 3.637 6.352 1.00 0.00 O ATOM 0 H TYR A 21 -0.995 7.943 3.068 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.127 5.503 4.868 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.010 4.945 2.772 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.803 6.507 2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.376 4.063 5.538 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.110 6.159 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.287 3.154 6.830 1.00 0.00 H new ATOM 0 HE2 TYR A 21 5.021 5.250 4.267 1.00 0.00 H new ATOM 0 HH TYR A 21 4.600 2.762 6.721 1.00 0.00 H new ATOM 319 N ASN A 22 -0.436 7.142 6.630 1.00 0.00 N ATOM 320 CA ASN A 22 0.169 7.963 7.717 1.00 0.00 C ATOM 321 C ASN A 22 0.011 9.448 7.386 1.00 0.00 C ATOM 322 O ASN A 22 0.938 10.225 7.500 1.00 0.00 O ATOM 323 CB ASN A 22 1.648 7.569 7.742 1.00 0.00 C ATOM 324 CG ASN A 22 1.977 6.909 9.083 1.00 0.00 C ATOM 325 OD1 ASN A 22 1.380 5.916 9.447 1.00 0.00 O ATOM 326 ND2 ASN A 22 2.911 7.422 9.837 1.00 0.00 N ATOM 0 H ASN A 22 -1.260 6.605 6.899 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.306 7.794 8.683 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.867 6.883 6.924 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.273 8.450 7.595 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.139 6.989 10.732 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.412 8.256 9.531 1.00 0.00 H new ATOM 333 N ASN A 23 -1.162 9.845 6.966 1.00 0.00 N ATOM 334 CA ASN A 23 -1.389 11.276 6.614 1.00 0.00 C ATOM 335 C ASN A 23 -0.617 11.625 5.342 1.00 0.00 C ATOM 336 O ASN A 23 -0.487 12.777 4.975 1.00 0.00 O ATOM 337 CB ASN A 23 -0.858 12.076 7.804 1.00 0.00 C ATOM 338 CG ASN A 23 -1.815 13.230 8.110 1.00 0.00 C ATOM 339 OD1 ASN A 23 -1.726 14.284 7.511 1.00 0.00 O ATOM 340 ND2 ASN A 23 -2.733 13.075 9.024 1.00 0.00 N ATOM 0 H ASN A 23 -1.973 9.238 6.852 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.440 11.494 6.424 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.760 11.429 8.676 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.136 12.463 7.581 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.376 13.838 9.236 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.808 12.191 9.527 1.00 0.00 H new ATOM 347 N HIS A 24 -0.105 10.636 4.663 1.00 0.00 N ATOM 348 CA HIS A 24 0.659 10.903 3.411 1.00 0.00 C ATOM 349 C HIS A 24 -0.100 10.344 2.206 1.00 0.00 C ATOM 350 O HIS A 24 0.080 9.206 1.821 1.00 0.00 O ATOM 351 CB HIS A 24 1.989 10.171 3.594 1.00 0.00 C ATOM 352 CG HIS A 24 3.126 11.134 3.387 1.00 0.00 C ATOM 353 ND1 HIS A 24 3.409 11.691 2.149 1.00 0.00 N ATOM 354 CD2 HIS A 24 4.063 11.647 4.251 1.00 0.00 C ATOM 355 CE1 HIS A 24 4.475 12.499 2.302 1.00 0.00 C ATOM 356 NE2 HIS A 24 4.913 12.508 3.563 1.00 0.00 N ATOM 0 H HIS A 24 -0.183 9.652 4.921 1.00 0.00 H new ATOM 0 HA HIS A 24 0.804 11.968 3.232 1.00 0.00 H new ATOM 0 HB2 HIS A 24 2.043 9.738 4.593 1.00 0.00 H new ATOM 0 HB3 HIS A 24 2.063 9.347 2.884 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.130 11.417 5.304 1.00 0.00 H new ATOM 0 HE1 HIS A 24 4.922 13.070 1.502 1.00 0.00 H new ATOM 0 HE2 HIS A 24 5.701 13.033 3.941 1.00 0.00 H new ATOM 364 N ASN A 25 -0.948 11.134 1.609 1.00 0.00 N ATOM 365 CA ASN A 25 -1.716 10.643 0.430 1.00 0.00 C ATOM 366 C ASN A 25 -0.752 10.233 -0.685 1.00 0.00 C ATOM 367 O ASN A 25 -0.144 11.064 -1.330 1.00 0.00 O ATOM 368 CB ASN A 25 -2.573 11.830 -0.015 1.00 0.00 C ATOM 369 CG ASN A 25 -3.464 12.287 1.139 1.00 0.00 C ATOM 370 OD1 ASN A 25 -3.140 12.107 2.299 1.00 0.00 O ATOM 371 ND2 ASN A 25 -4.587 12.880 0.828 1.00 0.00 N ATOM 0 H ASN A 25 -1.143 12.096 1.885 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.326 9.771 0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.933 12.651 -0.340 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.187 11.547 -0.870 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.836 13.019 -0.151 1.00 0.00 H new ATOM 377 N TYR A 26 -0.607 8.958 -0.919 1.00 0.00 N ATOM 378 CA TYR A 26 0.318 8.501 -1.994 1.00 0.00 C ATOM 379 C TYR A 26 -0.484 7.998 -3.193 1.00 0.00 C ATOM 380 O TYR A 26 -1.660 7.716 -3.089 1.00 0.00 O ATOM 381 CB TYR A 26 1.122 7.359 -1.369 1.00 0.00 C ATOM 382 CG TYR A 26 2.344 7.917 -0.679 1.00 0.00 C ATOM 383 CD1 TYR A 26 3.375 8.489 -1.432 1.00 0.00 C ATOM 384 CD2 TYR A 26 2.445 7.859 0.717 1.00 0.00 C ATOM 385 CE1 TYR A 26 4.507 9.005 -0.791 1.00 0.00 C ATOM 386 CE2 TYR A 26 3.578 8.374 1.359 1.00 0.00 C ATOM 387 CZ TYR A 26 4.609 8.946 0.604 1.00 0.00 C ATOM 388 OH TYR A 26 5.726 9.454 1.236 1.00 0.00 O ATOM 0 H TYR A 26 -1.088 8.214 -0.413 1.00 0.00 H new ATOM 0 HA TYR A 26 0.964 9.302 -2.353 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.505 6.815 -0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.420 6.647 -2.139 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.297 8.532 -2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.649 7.417 1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.302 9.449 -1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.656 8.330 2.435 1.00 0.00 H new ATOM 0 HH TYR A 26 5.637 9.334 2.205 1.00 0.00 H new ATOM 398 N THR A 27 0.138 7.880 -4.331 1.00 0.00 N ATOM 399 CA THR A 27 -0.597 7.387 -5.530 1.00 0.00 C ATOM 400 C THR A 27 0.204 6.271 -6.202 1.00 0.00 C ATOM 401 O THR A 27 0.233 6.151 -7.411 1.00 0.00 O ATOM 402 CB THR A 27 -0.720 8.598 -6.461 1.00 0.00 C ATOM 403 OG1 THR A 27 -0.167 9.745 -5.831 1.00 0.00 O ATOM 404 CG2 THR A 27 -2.194 8.851 -6.778 1.00 0.00 C ATOM 0 H THR A 27 1.122 8.103 -4.484 1.00 0.00 H new ATOM 0 HA THR A 27 -1.575 6.978 -5.277 1.00 0.00 H new ATOM 0 HB THR A 27 -0.178 8.398 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.246 10.517 -6.430 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.281 9.712 -7.440 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.617 7.973 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.736 9.048 -5.853 1.00 0.00 H new ATOM 412 N ASP A 28 0.858 5.457 -5.423 1.00 0.00 N ATOM 413 CA ASP A 28 1.665 4.347 -6.003 1.00 0.00 C ATOM 414 C ASP A 28 2.311 3.537 -4.878 1.00 0.00 C ATOM 415 O ASP A 28 2.034 3.746 -3.714 1.00 0.00 O ATOM 416 CB ASP A 28 2.733 5.037 -6.852 1.00 0.00 C ATOM 417 CG ASP A 28 2.964 4.234 -8.134 1.00 0.00 C ATOM 418 OD1 ASP A 28 1.988 3.902 -8.784 1.00 0.00 O ATOM 419 OD2 ASP A 28 4.114 3.966 -8.443 1.00 0.00 O ATOM 0 H ASP A 28 0.869 5.512 -4.405 1.00 0.00 H new ATOM 0 HA ASP A 28 1.064 3.656 -6.594 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.418 6.051 -7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.663 5.119 -6.289 1.00 0.00 H new ATOM 424 N CYS A 29 3.170 2.616 -5.211 1.00 0.00 N ATOM 425 CA CYS A 29 3.829 1.803 -4.149 1.00 0.00 C ATOM 426 C CYS A 29 4.935 2.621 -3.484 1.00 0.00 C ATOM 427 O CYS A 29 5.610 3.402 -4.126 1.00 0.00 O ATOM 428 CB CYS A 29 4.429 0.591 -4.867 1.00 0.00 C ATOM 429 SG CYS A 29 3.252 -0.047 -6.088 1.00 0.00 S ATOM 0 H CYS A 29 3.444 2.391 -6.167 1.00 0.00 H new ATOM 0 HA CYS A 29 3.127 1.502 -3.372 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.360 0.873 -5.359 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.674 -0.187 -4.144 1.00 0.00 H new ATOM 434 N THR A 30 5.139 2.442 -2.210 1.00 0.00 N ATOM 435 CA THR A 30 6.217 3.207 -1.525 1.00 0.00 C ATOM 436 C THR A 30 7.110 2.248 -0.749 1.00 0.00 C ATOM 437 O THR A 30 6.762 1.108 -0.534 1.00 0.00 O ATOM 438 CB THR A 30 5.495 4.169 -0.579 1.00 0.00 C ATOM 439 OG1 THR A 30 6.447 5.012 0.055 1.00 0.00 O ATOM 440 CG2 THR A 30 4.730 3.370 0.483 1.00 0.00 C ATOM 0 H THR A 30 4.610 1.803 -1.616 1.00 0.00 H new ATOM 0 HA THR A 30 6.856 3.746 -2.224 1.00 0.00 H new ATOM 0 HB THR A 30 4.792 4.777 -1.148 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.985 5.630 0.660 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.217 4.057 1.156 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.999 2.725 -0.004 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.430 2.759 1.053 1.00 0.00 H new ATOM 448 N SER A 31 8.267 2.683 -0.341 1.00 0.00 N ATOM 449 CA SER A 31 9.163 1.758 0.401 1.00 0.00 C ATOM 450 C SER A 31 9.187 2.095 1.892 1.00 0.00 C ATOM 451 O SER A 31 10.107 1.743 2.603 1.00 0.00 O ATOM 452 CB SER A 31 10.548 1.948 -0.221 1.00 0.00 C ATOM 453 OG SER A 31 10.744 3.319 -0.535 1.00 0.00 O ATOM 0 H SER A 31 8.627 3.626 -0.487 1.00 0.00 H new ATOM 0 HA SER A 31 8.823 0.725 0.327 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.319 1.609 0.471 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.640 1.341 -1.122 1.00 0.00 H new ATOM 0 HG SER A 31 11.632 3.440 -0.932 1.00 0.00 H new ATOM 459 N GLU A 32 8.179 2.762 2.374 1.00 0.00 N ATOM 460 CA GLU A 32 8.144 3.107 3.821 1.00 0.00 C ATOM 461 C GLU A 32 7.656 1.908 4.641 1.00 0.00 C ATOM 462 O GLU A 32 6.763 1.188 4.245 1.00 0.00 O ATOM 463 CB GLU A 32 7.151 4.258 3.927 1.00 0.00 C ATOM 464 CG GLU A 32 7.875 5.515 4.409 1.00 0.00 C ATOM 465 CD GLU A 32 8.547 6.204 3.220 1.00 0.00 C ATOM 466 OE1 GLU A 32 7.832 6.746 2.394 1.00 0.00 O ATOM 467 OE2 GLU A 32 9.765 6.177 3.155 1.00 0.00 O ATOM 0 H GLU A 32 7.378 3.083 1.830 1.00 0.00 H new ATOM 0 HA GLU A 32 9.128 3.376 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.687 4.442 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.350 3.999 4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.168 6.195 4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.620 5.253 5.160 1.00 0.00 H new ATOM 474 N GLY A 33 8.235 1.694 5.787 1.00 0.00 N ATOM 475 CA GLY A 33 7.809 0.548 6.641 1.00 0.00 C ATOM 476 C GLY A 33 7.970 -0.761 5.867 1.00 0.00 C ATOM 477 O GLY A 33 7.143 -1.647 5.946 1.00 0.00 O ATOM 0 H GLY A 33 8.988 2.264 6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.407 0.519 7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.770 0.676 6.946 1.00 0.00 H new ATOM 481 N ARG A 34 9.029 -0.892 5.116 1.00 0.00 N ATOM 482 CA ARG A 34 9.236 -2.150 4.337 1.00 0.00 C ATOM 483 C ARG A 34 10.050 -3.155 5.131 1.00 0.00 C ATOM 484 O ARG A 34 9.617 -4.255 5.410 1.00 0.00 O ATOM 485 CB ARG A 34 10.019 -1.739 3.096 1.00 0.00 C ATOM 486 CG ARG A 34 9.050 -1.514 1.938 1.00 0.00 C ATOM 487 CD ARG A 34 9.836 -1.292 0.646 1.00 0.00 C ATOM 488 NE ARG A 34 10.930 -2.300 0.670 1.00 0.00 N ATOM 489 CZ ARG A 34 12.173 -1.908 0.762 1.00 0.00 C ATOM 490 NH1 ARG A 34 12.654 -1.056 -0.102 1.00 0.00 N ATOM 491 NH2 ARG A 34 12.931 -2.364 1.720 1.00 0.00 N ATOM 0 H ARG A 34 9.758 -0.187 5.007 1.00 0.00 H new ATOM 0 HA ARG A 34 8.283 -2.620 4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.584 -0.828 3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.741 -2.512 2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.390 -2.375 1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 34 8.417 -0.651 2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.199 -1.424 -0.229 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.236 -0.279 0.599 1.00 0.00 H new ATOM 0 HE ARG A 34 10.710 -3.295 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.060 -0.696 -0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.624 -0.750 -0.030 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.554 -3.027 2.397 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.901 -2.058 1.792 1.00 0.00 H new ATOM 505 N ARG A 35 11.242 -2.786 5.469 1.00 0.00 N ATOM 506 CA ARG A 35 12.127 -3.711 6.221 1.00 0.00 C ATOM 507 C ARG A 35 12.438 -4.928 5.349 1.00 0.00 C ATOM 508 O ARG A 35 12.945 -5.929 5.815 1.00 0.00 O ATOM 509 CB ARG A 35 11.334 -4.115 7.466 1.00 0.00 C ATOM 510 CG ARG A 35 11.912 -3.396 8.688 1.00 0.00 C ATOM 511 CD ARG A 35 13.109 -4.184 9.224 1.00 0.00 C ATOM 512 NE ARG A 35 13.138 -3.890 10.683 1.00 0.00 N ATOM 513 CZ ARG A 35 13.738 -4.710 11.502 1.00 0.00 C ATOM 514 NH1 ARG A 35 14.884 -5.238 11.171 1.00 0.00 N ATOM 515 NH2 ARG A 35 13.191 -5.003 12.650 1.00 0.00 N ATOM 0 H ARG A 35 11.649 -1.875 5.257 1.00 0.00 H new ATOM 0 HA ARG A 35 13.078 -3.255 6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.282 -3.857 7.341 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.383 -5.195 7.608 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.220 -2.386 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.150 -3.301 9.461 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.994 -5.252 9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.035 -3.874 8.740 1.00 0.00 H new ATOM 0 HE ARG A 35 12.689 -3.048 11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.310 -5.010 10.273 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.354 -5.879 11.810 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.294 -4.591 12.908 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.660 -5.644 13.290 1.00 0.00 H new ATOM 529 N ASP A 36 12.137 -4.847 4.077 1.00 0.00 N ATOM 530 CA ASP A 36 12.420 -5.999 3.168 1.00 0.00 C ATOM 531 C ASP A 36 13.161 -5.512 1.920 1.00 0.00 C ATOM 532 O ASP A 36 14.366 -5.631 1.819 1.00 0.00 O ATOM 533 CB ASP A 36 11.054 -6.605 2.790 1.00 0.00 C ATOM 534 CG ASP A 36 9.921 -5.592 3.002 1.00 0.00 C ATOM 535 OD1 ASP A 36 10.043 -4.482 2.511 1.00 0.00 O ATOM 536 OD2 ASP A 36 8.952 -5.945 3.652 1.00 0.00 O ATOM 0 H ASP A 36 11.709 -4.036 3.630 1.00 0.00 H new ATOM 0 HA ASP A 36 13.053 -6.743 3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.070 -6.924 1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.868 -7.494 3.392 1.00 0.00 H new ATOM 541 N ASN A 37 12.457 -4.960 0.968 1.00 0.00 N ATOM 542 CA ASN A 37 13.138 -4.467 -0.266 1.00 0.00 C ATOM 543 C ASN A 37 12.116 -3.993 -1.307 1.00 0.00 C ATOM 544 O ASN A 37 12.080 -2.834 -1.672 1.00 0.00 O ATOM 545 CB ASN A 37 13.915 -5.672 -0.794 1.00 0.00 C ATOM 546 CG ASN A 37 15.404 -5.327 -0.864 1.00 0.00 C ATOM 547 OD1 ASN A 37 15.807 -4.480 -1.636 1.00 0.00 O ATOM 548 ND2 ASN A 37 16.244 -5.952 -0.084 1.00 0.00 N ATOM 0 H ASN A 37 11.446 -4.829 0.990 1.00 0.00 H new ATOM 0 HA ASN A 37 13.784 -3.614 -0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.760 -6.532 -0.143 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.548 -5.950 -1.782 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.239 -5.729 -0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.906 -6.663 0.564 1.00 0.00 H new ATOM 555 N MET A 38 11.292 -4.880 -1.796 1.00 0.00 N ATOM 556 CA MET A 38 10.283 -4.479 -2.822 1.00 0.00 C ATOM 557 C MET A 38 9.342 -3.410 -2.258 1.00 0.00 C ATOM 558 O MET A 38 9.094 -3.355 -1.071 1.00 0.00 O ATOM 559 CB MET A 38 9.509 -5.758 -3.139 1.00 0.00 C ATOM 560 CG MET A 38 9.414 -5.938 -4.655 1.00 0.00 C ATOM 561 SD MET A 38 8.022 -7.026 -5.047 1.00 0.00 S ATOM 562 CE MET A 38 8.088 -6.840 -6.844 1.00 0.00 C ATOM 0 H MET A 38 11.273 -5.865 -1.530 1.00 0.00 H new ATOM 0 HA MET A 38 10.750 -4.052 -3.710 1.00 0.00 H new ATOM 0 HB2 MET A 38 10.008 -6.617 -2.691 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.510 -5.708 -2.705 1.00 0.00 H new ATOM 0 HG2 MET A 38 9.281 -4.971 -5.139 1.00 0.00 H new ATOM 0 HG3 MET A 38 10.341 -6.362 -5.040 1.00 0.00 H new ATOM 0 HE1 MET A 38 7.728 -7.753 -7.318 1.00 0.00 H new ATOM 0 HE2 MET A 38 7.459 -6.002 -7.146 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.116 -6.652 -7.153 1.00 0.00 H new ATOM 572 N LYS A 39 8.812 -2.563 -3.101 1.00 0.00 N ATOM 573 CA LYS A 39 7.886 -1.504 -2.606 1.00 0.00 C ATOM 574 C LYS A 39 6.523 -2.110 -2.258 1.00 0.00 C ATOM 575 O LYS A 39 6.040 -3.006 -2.922 1.00 0.00 O ATOM 576 CB LYS A 39 7.761 -0.500 -3.754 1.00 0.00 C ATOM 577 CG LYS A 39 7.726 0.910 -3.176 1.00 0.00 C ATOM 578 CD LYS A 39 8.347 1.887 -4.174 1.00 0.00 C ATOM 579 CE LYS A 39 9.681 2.396 -3.626 1.00 0.00 C ATOM 580 NZ LYS A 39 10.708 1.492 -4.218 1.00 0.00 N ATOM 0 H LYS A 39 8.980 -2.559 -4.107 1.00 0.00 H new ATOM 0 HA LYS A 39 8.258 -1.027 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.602 -0.605 -4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.855 -0.695 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.698 1.200 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.272 0.941 -2.233 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.500 1.394 -5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.671 2.724 -4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.856 3.433 -3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.701 2.358 -2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.652 1.777 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.520 0.513 -3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.669 1.555 -5.255 1.00 0.00 H new ATOM 594 N TRP A 40 5.907 -1.624 -1.218 1.00 0.00 N ATOM 595 CA TRP A 40 4.576 -2.157 -0.806 1.00 0.00 C ATOM 596 C TRP A 40 3.483 -1.159 -1.184 1.00 0.00 C ATOM 597 O TRP A 40 3.727 -0.197 -1.886 1.00 0.00 O ATOM 598 CB TRP A 40 4.661 -2.303 0.717 1.00 0.00 C ATOM 599 CG TRP A 40 4.777 -0.949 1.340 1.00 0.00 C ATOM 600 CD1 TRP A 40 5.928 -0.250 1.467 1.00 0.00 C ATOM 601 CD2 TRP A 40 3.728 -0.119 1.927 1.00 0.00 C ATOM 602 NE1 TRP A 40 5.655 0.956 2.076 1.00 0.00 N ATOM 603 CE2 TRP A 40 4.318 1.083 2.385 1.00 0.00 C ATOM 604 CE3 TRP A 40 2.339 -0.283 2.105 1.00 0.00 C ATOM 605 CZ2 TRP A 40 3.565 2.083 2.993 1.00 0.00 C ATOM 606 CZ3 TRP A 40 1.579 0.724 2.719 1.00 0.00 C ATOM 607 CH2 TRP A 40 2.190 1.904 3.163 1.00 0.00 C ATOM 0 H TRP A 40 6.270 -0.874 -0.630 1.00 0.00 H new ATOM 0 HA TRP A 40 4.336 -3.103 -1.292 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.775 -2.814 1.094 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.522 -2.915 0.987 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.903 -0.583 1.144 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.358 1.668 2.274 1.00 0.00 H new ATOM 0 HE3 TRP A 40 1.857 -1.189 1.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.041 2.992 3.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.516 0.589 2.850 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.599 2.674 3.636 1.00 0.00 H new ATOM 618 N CYS A 41 2.279 -1.375 -0.733 1.00 0.00 N ATOM 619 CA CYS A 41 1.184 -0.422 -1.087 1.00 0.00 C ATOM 620 C CYS A 41 -0.036 -0.632 -0.182 1.00 0.00 C ATOM 621 O CYS A 41 -0.419 -1.745 0.113 1.00 0.00 O ATOM 622 CB CYS A 41 0.841 -0.770 -2.538 1.00 0.00 C ATOM 623 SG CYS A 41 0.061 0.647 -3.345 1.00 0.00 S ATOM 0 H CYS A 41 2.005 -2.160 -0.141 1.00 0.00 H new ATOM 0 HA CYS A 41 1.482 0.619 -0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.745 -1.053 -3.076 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.171 -1.629 -2.566 1.00 0.00 H new ATOM 628 N GLY A 42 -0.651 0.435 0.255 1.00 0.00 N ATOM 629 CA GLY A 42 -1.847 0.302 1.139 1.00 0.00 C ATOM 630 C GLY A 42 -3.043 -0.183 0.317 1.00 0.00 C ATOM 631 O GLY A 42 -3.261 0.247 -0.799 1.00 0.00 O ATOM 0 H GLY A 42 -0.377 1.393 0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.639 -0.401 1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.077 1.261 1.603 1.00 0.00 H new ATOM 635 N THR A 43 -3.818 -1.081 0.858 1.00 0.00 N ATOM 636 CA THR A 43 -4.993 -1.603 0.105 1.00 0.00 C ATOM 637 C THR A 43 -6.261 -0.814 0.455 1.00 0.00 C ATOM 638 O THR A 43 -7.253 -0.882 -0.243 1.00 0.00 O ATOM 639 CB THR A 43 -5.127 -3.061 0.550 1.00 0.00 C ATOM 640 OG1 THR A 43 -5.676 -3.105 1.860 1.00 0.00 O ATOM 641 CG2 THR A 43 -3.747 -3.724 0.550 1.00 0.00 C ATOM 0 H THR A 43 -3.689 -1.476 1.789 1.00 0.00 H new ATOM 0 HA THR A 43 -4.861 -1.510 -0.973 1.00 0.00 H new ATOM 0 HB THR A 43 -5.784 -3.594 -0.138 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.058 -3.992 2.025 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.842 -4.763 0.867 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.326 -3.688 -0.455 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.089 -3.194 1.238 1.00 0.00 H new ATOM 649 N THR A 44 -6.242 -0.070 1.527 1.00 0.00 N ATOM 650 CA THR A 44 -7.453 0.712 1.907 1.00 0.00 C ATOM 651 C THR A 44 -7.270 2.191 1.550 1.00 0.00 C ATOM 652 O THR A 44 -6.209 2.612 1.133 1.00 0.00 O ATOM 653 CB THR A 44 -7.583 0.533 3.421 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.362 0.035 3.948 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.711 -0.454 3.722 1.00 0.00 C ATOM 0 H THR A 44 -5.444 0.030 2.154 1.00 0.00 H new ATOM 0 HA THR A 44 -8.344 0.372 1.379 1.00 0.00 H new ATOM 0 HB THR A 44 -7.809 1.494 3.882 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.389 0.073 4.927 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.804 -0.582 4.800 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.648 -0.069 3.320 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.486 -1.416 3.261 1.00 0.00 H new ATOM 663 N GLN A 45 -8.299 2.981 1.708 1.00 0.00 N ATOM 664 CA GLN A 45 -8.191 4.430 1.375 1.00 0.00 C ATOM 665 C GLN A 45 -7.947 5.250 2.648 1.00 0.00 C ATOM 666 O GLN A 45 -7.885 6.463 2.614 1.00 0.00 O ATOM 667 CB GLN A 45 -9.545 4.780 0.743 1.00 0.00 C ATOM 668 CG GLN A 45 -9.823 6.279 0.887 1.00 0.00 C ATOM 669 CD GLN A 45 -11.135 6.624 0.181 1.00 0.00 C ATOM 670 OE1 GLN A 45 -11.161 6.820 -1.017 1.00 0.00 O ATOM 671 NE2 GLN A 45 -12.237 6.707 0.877 1.00 0.00 N ATOM 0 H GLN A 45 -9.211 2.684 2.054 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.360 4.649 0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.546 4.502 -0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.338 4.208 1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.883 6.549 1.941 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.004 6.855 0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.218 6.543 1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.117 6.936 0.414 1.00 0.00 H new ATOM 680 N ASN A 46 -7.808 4.596 3.766 1.00 0.00 N ATOM 681 CA ASN A 46 -7.565 5.335 5.039 1.00 0.00 C ATOM 682 C ASN A 46 -6.606 4.539 5.923 1.00 0.00 C ATOM 683 O ASN A 46 -6.974 4.040 6.967 1.00 0.00 O ATOM 684 CB ASN A 46 -8.939 5.446 5.700 1.00 0.00 C ATOM 685 CG ASN A 46 -9.077 6.822 6.356 1.00 0.00 C ATOM 686 OD1 ASN A 46 -8.174 7.282 7.024 1.00 0.00 O ATOM 687 ND2 ASN A 46 -10.178 7.502 6.189 1.00 0.00 N ATOM 0 H ASN A 46 -7.852 3.581 3.855 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.115 6.314 4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.725 5.304 4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.060 4.661 6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.280 8.421 6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.936 7.115 5.627 1.00 0.00 H new ATOM 694 N TYR A 47 -5.379 4.412 5.507 1.00 0.00 N ATOM 695 CA TYR A 47 -4.389 3.642 6.308 1.00 0.00 C ATOM 696 C TYR A 47 -4.359 4.133 7.760 1.00 0.00 C ATOM 697 O TYR A 47 -4.276 3.353 8.687 1.00 0.00 O ATOM 698 CB TYR A 47 -3.049 3.911 5.624 1.00 0.00 C ATOM 699 CG TYR A 47 -2.054 2.846 6.023 1.00 0.00 C ATOM 700 CD1 TYR A 47 -1.784 2.614 7.376 1.00 0.00 C ATOM 701 CD2 TYR A 47 -1.406 2.090 5.039 1.00 0.00 C ATOM 702 CE1 TYR A 47 -0.869 1.627 7.749 1.00 0.00 C ATOM 703 CE2 TYR A 47 -0.488 1.100 5.411 1.00 0.00 C ATOM 704 CZ TYR A 47 -0.220 0.868 6.766 1.00 0.00 C ATOM 705 OH TYR A 47 0.684 -0.108 7.134 1.00 0.00 O ATOM 0 H TYR A 47 -5.017 4.811 4.641 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.631 2.580 6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.176 3.917 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.676 4.896 5.906 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.284 3.199 8.133 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.614 2.270 3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.662 1.449 8.794 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.013 0.516 4.653 1.00 0.00 H new ATOM 0 HH TYR A 47 0.432 -0.475 8.007 1.00 0.00 H new ATOM 715 N ASP A 48 -4.410 5.415 7.971 1.00 0.00 N ATOM 716 CA ASP A 48 -4.365 5.932 9.369 1.00 0.00 C ATOM 717 C ASP A 48 -5.581 5.450 10.167 1.00 0.00 C ATOM 718 O ASP A 48 -5.514 5.280 11.369 1.00 0.00 O ATOM 719 CB ASP A 48 -4.384 7.455 9.229 1.00 0.00 C ATOM 720 CG ASP A 48 -3.085 8.038 9.791 1.00 0.00 C ATOM 721 OD1 ASP A 48 -2.863 7.896 10.983 1.00 0.00 O ATOM 722 OD2 ASP A 48 -2.337 8.616 9.021 1.00 0.00 O ATOM 0 H ASP A 48 -4.480 6.126 7.243 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.484 5.579 9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.496 7.733 8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.240 7.869 9.761 1.00 0.00 H new ATOM 727 N ALA A 49 -6.695 5.240 9.520 1.00 0.00 N ATOM 728 CA ALA A 49 -7.908 4.781 10.262 1.00 0.00 C ATOM 729 C ALA A 49 -8.219 3.311 9.960 1.00 0.00 C ATOM 730 O ALA A 49 -9.223 2.783 10.393 1.00 0.00 O ATOM 731 CB ALA A 49 -9.039 5.676 9.760 1.00 0.00 C ATOM 0 H ALA A 49 -6.819 5.365 8.515 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.769 4.851 11.341 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.969 5.402 10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.803 6.717 9.979 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.153 5.548 8.684 1.00 0.00 H new ATOM 737 N ASP A 50 -7.375 2.643 9.222 1.00 0.00 N ATOM 738 CA ASP A 50 -7.647 1.209 8.904 1.00 0.00 C ATOM 739 C ASP A 50 -6.411 0.348 9.185 1.00 0.00 C ATOM 740 O ASP A 50 -6.494 -0.684 9.821 1.00 0.00 O ATOM 741 CB ASP A 50 -7.986 1.189 7.413 1.00 0.00 C ATOM 742 CG ASP A 50 -9.505 1.259 7.236 1.00 0.00 C ATOM 743 OD1 ASP A 50 -10.180 0.374 7.732 1.00 0.00 O ATOM 744 OD2 ASP A 50 -9.965 2.198 6.608 1.00 0.00 O ATOM 0 H ASP A 50 -6.515 3.023 8.827 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.455 0.804 9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -7.511 2.031 6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.597 0.281 6.952 1.00 0.00 H new ATOM 749 N GLN A 51 -5.266 0.762 8.711 1.00 0.00 N ATOM 750 CA GLN A 51 -4.023 -0.032 8.944 1.00 0.00 C ATOM 751 C GLN A 51 -4.050 -1.313 8.106 1.00 0.00 C ATOM 752 O GLN A 51 -4.345 -2.384 8.597 1.00 0.00 O ATOM 753 CB GLN A 51 -4.023 -0.367 10.438 1.00 0.00 C ATOM 754 CG GLN A 51 -2.669 0.011 11.040 1.00 0.00 C ATOM 755 CD GLN A 51 -2.873 0.564 12.453 1.00 0.00 C ATOM 756 OE1 GLN A 51 -2.401 -0.008 13.415 1.00 0.00 O ATOM 757 NE2 GLN A 51 -3.561 1.660 12.618 1.00 0.00 N ATOM 0 H GLN A 51 -5.137 1.618 8.171 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.128 0.520 8.657 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.823 0.174 10.944 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.215 -1.430 10.584 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.017 -0.862 11.071 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.176 0.755 10.415 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.957 2.140 11.810 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.703 2.037 13.555 1.00 0.00 H new ATOM 766 N LYS A 52 -3.741 -1.207 6.843 1.00 0.00 N ATOM 767 CA LYS A 52 -3.745 -2.414 5.967 1.00 0.00 C ATOM 768 C LYS A 52 -2.841 -2.184 4.755 1.00 0.00 C ATOM 769 O LYS A 52 -3.130 -1.369 3.900 1.00 0.00 O ATOM 770 CB LYS A 52 -5.199 -2.585 5.528 1.00 0.00 C ATOM 771 CG LYS A 52 -5.444 -4.042 5.135 1.00 0.00 C ATOM 772 CD LYS A 52 -5.451 -4.916 6.390 1.00 0.00 C ATOM 773 CE LYS A 52 -6.841 -4.882 7.028 1.00 0.00 C ATOM 774 NZ LYS A 52 -7.211 -6.314 7.215 1.00 0.00 N ATOM 0 H LYS A 52 -3.485 -0.336 6.379 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.372 -3.300 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.871 -2.297 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.415 -1.928 4.685 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.395 -4.133 4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.668 -4.380 4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.182 -5.941 6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.705 -4.558 7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.826 -4.350 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.558 -4.369 6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.245 -6.414 7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.773 -6.886 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.873 -6.642 8.142 1.00 0.00 H new ATOM 788 N PHE A 53 -1.750 -2.893 4.673 1.00 0.00 N ATOM 789 CA PHE A 53 -0.831 -2.711 3.515 1.00 0.00 C ATOM 790 C PHE A 53 -0.633 -4.033 2.774 1.00 0.00 C ATOM 791 O PHE A 53 -1.109 -5.071 3.187 1.00 0.00 O ATOM 792 CB PHE A 53 0.493 -2.233 4.116 1.00 0.00 C ATOM 793 CG PHE A 53 1.136 -3.352 4.903 1.00 0.00 C ATOM 794 CD1 PHE A 53 0.651 -3.690 6.175 1.00 0.00 C ATOM 795 CD2 PHE A 53 2.223 -4.050 4.362 1.00 0.00 C ATOM 796 CE1 PHE A 53 1.253 -4.724 6.901 1.00 0.00 C ATOM 797 CE2 PHE A 53 2.825 -5.083 5.090 1.00 0.00 C ATOM 798 CZ PHE A 53 2.340 -5.420 6.358 1.00 0.00 C ATOM 0 H PHE A 53 -1.455 -3.590 5.357 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.229 -1.999 2.792 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.164 -1.903 3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.319 -1.374 4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.187 -3.152 6.594 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.597 -3.791 3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.879 -4.985 7.880 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.664 -5.620 4.673 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.804 -6.218 6.919 1.00 0.00 H new ATOM 808 N GLY A 54 0.071 -3.990 1.683 1.00 0.00 N ATOM 809 CA GLY A 54 0.322 -5.224 0.894 1.00 0.00 C ATOM 810 C GLY A 54 1.649 -5.055 0.157 1.00 0.00 C ATOM 811 O GLY A 54 2.517 -4.334 0.597 1.00 0.00 O ATOM 0 H GLY A 54 0.489 -3.143 1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.359 -6.094 1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.488 -5.394 0.185 1.00 0.00 H new ATOM 815 N PHE A 55 1.820 -5.700 -0.962 1.00 0.00 N ATOM 816 CA PHE A 55 3.104 -5.545 -1.702 1.00 0.00 C ATOM 817 C PHE A 55 2.846 -4.973 -3.095 1.00 0.00 C ATOM 818 O PHE A 55 1.717 -4.829 -3.520 1.00 0.00 O ATOM 819 CB PHE A 55 3.683 -6.957 -1.799 1.00 0.00 C ATOM 820 CG PHE A 55 3.726 -7.575 -0.423 1.00 0.00 C ATOM 821 CD1 PHE A 55 4.787 -7.284 0.442 1.00 0.00 C ATOM 822 CD2 PHE A 55 2.704 -8.438 -0.013 1.00 0.00 C ATOM 823 CE1 PHE A 55 4.826 -7.858 1.718 1.00 0.00 C ATOM 824 CE2 PHE A 55 2.742 -9.012 1.264 1.00 0.00 C ATOM 825 CZ PHE A 55 3.803 -8.721 2.130 1.00 0.00 C ATOM 0 H PHE A 55 1.136 -6.321 -1.393 1.00 0.00 H new ATOM 0 HA PHE A 55 3.788 -4.860 -1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.073 -7.567 -2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.685 -6.923 -2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.575 -6.617 0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.886 -8.662 -0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.646 -7.635 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.953 -9.679 1.580 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.832 -9.162 3.115 1.00 0.00 H new ATOM 835 N CYS A 56 3.887 -4.643 -3.809 1.00 0.00 N ATOM 836 CA CYS A 56 3.702 -4.075 -5.176 1.00 0.00 C ATOM 837 C CYS A 56 4.425 -4.929 -6.229 1.00 0.00 C ATOM 838 O CYS A 56 5.377 -4.477 -6.836 1.00 0.00 O ATOM 839 CB CYS A 56 4.325 -2.683 -5.101 1.00 0.00 C ATOM 840 SG CYS A 56 4.043 -1.812 -6.660 1.00 0.00 S ATOM 0 H CYS A 56 4.856 -4.742 -3.506 1.00 0.00 H new ATOM 0 HA CYS A 56 2.653 -4.049 -5.469 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.889 -2.122 -4.275 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.394 -2.761 -4.904 1.00 0.00 H new ATOM 845 N PRO A 57 3.949 -6.135 -6.423 1.00 0.00 N ATOM 846 CA PRO A 57 4.560 -7.044 -7.423 1.00 0.00 C ATOM 847 C PRO A 57 4.446 -6.448 -8.828 1.00 0.00 C ATOM 848 O PRO A 57 3.387 -6.439 -9.423 1.00 0.00 O ATOM 849 CB PRO A 57 3.703 -8.307 -7.300 1.00 0.00 C ATOM 850 CG PRO A 57 2.621 -8.070 -6.228 1.00 0.00 C ATOM 851 CD PRO A 57 2.789 -6.655 -5.661 1.00 0.00 C ATOM 0 HA PRO A 57 5.622 -7.224 -7.257 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.240 -8.544 -8.258 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.324 -9.160 -7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.628 -8.187 -6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.710 -8.809 -5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.897 -6.048 -5.816 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.982 -6.669 -4.588 1.00 0.00 H new ATOM 859 N MET A 58 5.525 -5.950 -9.365 1.00 0.00 N ATOM 860 CA MET A 58 5.469 -5.357 -10.733 1.00 0.00 C ATOM 861 C MET A 58 6.882 -5.191 -11.297 1.00 0.00 C ATOM 862 O MET A 58 7.682 -4.435 -10.781 1.00 0.00 O ATOM 863 CB MET A 58 4.800 -3.994 -10.547 1.00 0.00 C ATOM 864 CG MET A 58 3.679 -3.832 -11.576 1.00 0.00 C ATOM 865 SD MET A 58 4.391 -3.783 -13.240 1.00 0.00 S ATOM 866 CE MET A 58 3.559 -5.256 -13.882 1.00 0.00 C ATOM 0 H MET A 58 6.442 -5.927 -8.918 1.00 0.00 H new ATOM 0 HA MET A 58 4.921 -5.987 -11.434 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.397 -3.909 -9.538 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.534 -3.197 -10.665 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.974 -4.659 -11.495 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.121 -2.917 -11.380 1.00 0.00 H new ATOM 0 HE1 MET A 58 3.592 -5.247 -14.971 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.062 -6.149 -13.511 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.521 -5.261 -13.551 1.00 0.00 H new ATOM 876 N ALA A 59 7.195 -5.891 -12.353 1.00 0.00 N ATOM 877 CA ALA A 59 8.557 -5.772 -12.949 1.00 0.00 C ATOM 878 C ALA A 59 8.602 -6.480 -14.306 1.00 0.00 C ATOM 879 O ALA A 59 7.606 -7.083 -14.671 1.00 0.00 O ATOM 880 CB ALA A 59 9.488 -6.463 -11.952 1.00 0.00 C ATOM 881 OXT ALA A 59 9.632 -6.405 -14.956 1.00 0.00 O ATOM 0 H ALA A 59 6.568 -6.540 -12.829 1.00 0.00 H new ATOM 0 HA ALA A 59 8.844 -4.735 -13.122 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.513 -6.418 -12.320 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.426 -5.959 -10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.189 -7.505 -11.837 1.00 0.00 H new TER 887 ALA A 59 HETATM 888 C1 NAG A 60 -5.671 12.953 1.797 1.00 0.00 C HETATM 889 C2 NAG A 60 -5.536 14.228 2.609 1.00 0.00 C HETATM 890 C3 NAG A 60 -6.697 14.295 3.582 1.00 0.00 C HETATM 891 C4 NAG A 60 -8.048 14.284 2.835 1.00 0.00 C HETATM 892 C5 NAG A 60 -8.124 12.986 1.951 1.00 0.00 C HETATM 893 C6 NAG A 60 -9.351 12.980 1.024 1.00 0.00 C HETATM 894 C7 NAG A 60 -3.233 15.004 2.911 1.00 0.00 C HETATM 895 C8 NAG A 60 -1.940 14.870 3.711 1.00 0.00 C HETATM 896 N2 NAG A 60 -4.268 14.248 3.326 1.00 0.00 N HETATM 897 O3 NAG A 60 -6.618 15.473 4.372 1.00 0.00 O HETATM 898 O4 NAG A 60 -9.098 14.347 3.799 1.00 0.00 O HETATM 899 O5 NAG A 60 -6.931 12.948 1.108 1.00 0.00 O HETATM 900 O6 NAG A 60 -9.002 13.617 -0.204 1.00 0.00 O HETATM 901 O7 NAG A 60 -3.317 15.765 1.932 1.00 0.00 O HETATM 0 HO6 NAG A 60 -8.031 13.579 -0.328 1.00 0.00 H new HETATM 0 HO4 NAG A 60 -9.920 14.659 3.367 1.00 0.00 H new HETATM 0 HO3 NAG A 60 -7.521 15.765 4.616 1.00 0.00 H new HETATM 0 HN2 NAG A 60 -4.161 13.675 4.163 1.00 0.00 H new HETATM 0 H83 NAG A 60 -2.123 15.152 4.748 1.00 0.00 H new HETATM 0 H82 NAG A 60 -1.593 13.837 3.672 1.00 0.00 H new HETATM 0 H81 NAG A 60 -1.179 15.524 3.285 1.00 0.00 H new HETATM 0 H62 NAG A 60 -9.679 11.957 0.839 1.00 0.00 H new HETATM 0 H61 NAG A 60 -10.184 13.501 1.496 1.00 0.00 H new HETATM 0 H5 NAG A 60 -8.196 12.127 2.618 1.00 0.00 H new HETATM 0 H4 NAG A 60 -8.149 15.143 2.172 1.00 0.00 H new HETATM 0 H3 NAG A 60 -6.636 13.417 4.225 1.00 0.00 H new HETATM 0 H2 NAG A 60 -5.553 15.093 1.947 1.00 0.00 H new