USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -160:sc= -1.02 USER MOD Set 1.2: A 18 HIS : no HD1:sc= -4.59! C(o=-14!,f=-20!) USER MOD Set 1.3: A 34 CYS SG : rot 171:sc= -2.61 USER MOD Set 1.4: A 37 CYS SG : rot -78:sc= -5.29! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 102:sc= -0.22 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.01 USER MOD Single : A 17 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.376 K(o=-0.38,f=-2!) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= -0.766 (180deg=-1.61) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -10.880 9.402 -19.812 1.00 0.00 N ATOM 2 CA ALA A 2 -9.565 10.025 -19.510 1.00 0.00 C ATOM 3 C ALA A 2 -8.510 9.595 -20.523 1.00 0.00 C ATOM 4 O ALA A 2 -7.895 8.538 -20.383 1.00 0.00 O ATOM 5 CB ALA A 2 -9.121 9.662 -18.101 1.00 0.00 C ATOM 0 HA ALA A 2 -9.679 11.107 -19.577 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.156 10.125 -17.893 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.858 10.021 -17.383 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.030 8.579 -18.016 1.00 0.00 H new ATOM 10 N SER A 3 -8.308 10.420 -21.545 1.00 0.00 N ATOM 11 CA SER A 3 -7.327 10.124 -22.584 1.00 0.00 C ATOM 12 C SER A 3 -5.913 10.124 -22.011 1.00 0.00 C ATOM 13 O SER A 3 -5.043 9.389 -22.479 1.00 0.00 O ATOM 14 CB SER A 3 -7.429 11.147 -23.717 1.00 0.00 C ATOM 15 OG SER A 3 -8.772 11.301 -24.143 1.00 0.00 O ATOM 0 H SER A 3 -8.810 11.298 -21.676 1.00 0.00 H new ATOM 0 HA SER A 3 -7.541 9.131 -22.979 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.038 12.107 -23.381 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.812 10.828 -24.557 1.00 0.00 H new ATOM 0 HG SER A 3 -8.812 11.961 -24.866 1.00 0.00 H new ATOM 21 N THR A 4 -5.690 10.952 -20.996 1.00 0.00 N ATOM 22 CA THR A 4 -4.381 11.047 -20.359 1.00 0.00 C ATOM 23 C THR A 4 -3.970 9.708 -19.757 1.00 0.00 C ATOM 24 O THR A 4 -2.998 9.092 -20.191 1.00 0.00 O ATOM 25 CB THR A 4 -4.395 12.125 -19.275 1.00 0.00 C ATOM 26 OG1 THR A 4 -5.278 11.769 -18.227 1.00 0.00 O ATOM 27 CG2 THR A 4 -4.816 13.485 -19.788 1.00 0.00 C ATOM 0 H THR A 4 -6.399 11.567 -20.597 1.00 0.00 H new ATOM 0 HA THR A 4 -3.652 11.320 -21.122 1.00 0.00 H new ATOM 0 HB THR A 4 -3.366 12.192 -18.920 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.762 11.428 -17.467 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.804 14.203 -18.968 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.125 13.811 -20.565 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.823 13.422 -20.201 1.00 0.00 H new ATOM 35 N SER A 5 -4.718 9.263 -18.751 1.00 0.00 N ATOM 36 CA SER A 5 -4.433 7.996 -18.088 1.00 0.00 C ATOM 37 C SER A 5 -4.504 6.836 -19.077 1.00 0.00 C ATOM 38 O SER A 5 -4.833 7.024 -20.247 1.00 0.00 O ATOM 39 CB SER A 5 -5.414 7.766 -16.937 1.00 0.00 C ATOM 40 OG SER A 5 -4.728 7.504 -15.725 1.00 0.00 O ATOM 0 H SER A 5 -5.526 9.762 -18.378 1.00 0.00 H new ATOM 0 HA SER A 5 -3.421 8.044 -17.686 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.049 8.643 -16.816 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.069 6.928 -17.176 1.00 0.00 H new ATOM 0 HG SER A 5 -5.378 7.362 -15.005 1.00 0.00 H new ATOM 46 N ARG A 6 -4.192 5.636 -18.597 1.00 0.00 N ATOM 47 CA ARG A 6 -4.221 4.446 -19.439 1.00 0.00 C ATOM 48 C ARG A 6 -4.824 3.261 -18.690 1.00 0.00 C ATOM 49 O ARG A 6 -5.972 2.884 -18.926 1.00 0.00 O ATOM 50 CB ARG A 6 -2.809 4.098 -19.915 1.00 0.00 C ATOM 51 CG ARG A 6 -2.335 4.946 -21.085 1.00 0.00 C ATOM 52 CD ARG A 6 -1.123 4.329 -21.763 1.00 0.00 C ATOM 53 NE ARG A 6 -1.165 4.494 -23.215 1.00 0.00 N ATOM 54 CZ ARG A 6 -1.080 5.672 -23.830 1.00 0.00 C ATOM 55 NH1 ARG A 6 -0.949 6.789 -23.126 1.00 0.00 N ATOM 56 NH2 ARG A 6 -1.127 5.731 -25.154 1.00 0.00 N ATOM 0 H ARG A 6 -3.917 5.463 -17.630 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.847 4.661 -20.305 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.114 4.219 -19.084 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.780 3.047 -20.203 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.143 5.054 -21.809 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.086 5.947 -20.733 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.215 4.789 -21.372 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.073 3.268 -21.520 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.265 3.658 -23.791 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.913 6.749 -22.107 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.884 7.688 -23.603 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.228 4.875 -25.699 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -1.062 6.632 -25.627 1.00 0.00 H new ATOM 70 N LEU A 7 -4.042 2.678 -17.786 1.00 0.00 N ATOM 71 CA LEU A 7 -4.499 1.536 -17.002 1.00 0.00 C ATOM 72 C LEU A 7 -4.739 1.934 -15.549 1.00 0.00 C ATOM 73 O LEU A 7 -3.859 1.784 -14.701 1.00 0.00 O ATOM 74 CB LEU A 7 -3.476 0.400 -17.076 1.00 0.00 C ATOM 75 CG LEU A 7 -3.941 -0.841 -17.840 1.00 0.00 C ATOM 76 CD1 LEU A 7 -2.875 -1.923 -17.802 1.00 0.00 C ATOM 77 CD2 LEU A 7 -5.250 -1.360 -17.263 1.00 0.00 C ATOM 0 H LEU A 7 -3.089 2.978 -17.579 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.444 1.190 -17.422 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.569 0.779 -17.546 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.210 0.105 -16.061 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.108 -0.562 -18.880 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.224 -2.798 -18.351 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.960 -1.548 -18.261 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.675 -2.200 -16.767 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.567 -2.243 -17.818 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.107 -1.622 -16.215 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.015 -0.587 -17.343 1.00 0.00 H new ATOM 89 N ASP A 8 -5.935 2.441 -15.269 1.00 0.00 N ATOM 90 CA ASP A 8 -6.291 2.858 -13.918 1.00 0.00 C ATOM 91 C ASP A 8 -7.664 2.320 -13.528 1.00 0.00 C ATOM 92 O ASP A 8 -8.631 3.074 -13.419 1.00 0.00 O ATOM 93 CB ASP A 8 -6.278 4.385 -13.814 1.00 0.00 C ATOM 94 CG ASP A 8 -7.057 5.048 -14.935 1.00 0.00 C ATOM 95 OD1 ASP A 8 -6.599 4.985 -16.095 1.00 0.00 O ATOM 96 OD2 ASP A 8 -8.124 5.631 -14.652 1.00 0.00 O ATOM 0 H ASP A 8 -6.674 2.573 -15.960 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.552 2.448 -13.230 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.701 4.685 -12.855 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.247 4.739 -13.833 1.00 0.00 H new ATOM 101 N ALA A 9 -7.743 1.009 -13.320 1.00 0.00 N ATOM 102 CA ALA A 9 -8.997 0.370 -12.942 1.00 0.00 C ATOM 103 C ALA A 9 -8.765 -1.060 -12.465 1.00 0.00 C ATOM 104 O ALA A 9 -9.553 -1.959 -12.761 1.00 0.00 O ATOM 105 CB ALA A 9 -9.969 0.388 -14.111 1.00 0.00 C ATOM 0 H ALA A 9 -6.953 0.370 -13.407 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.429 0.933 -12.115 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.902 -0.092 -13.816 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.168 1.419 -14.403 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.535 -0.150 -14.954 1.00 0.00 H new ATOM 111 N LEU A 10 -7.679 -1.263 -11.727 1.00 0.00 N ATOM 112 CA LEU A 10 -7.345 -2.585 -11.207 1.00 0.00 C ATOM 113 C LEU A 10 -7.069 -2.526 -9.704 1.00 0.00 C ATOM 114 O LEU A 10 -6.030 -2.992 -9.238 1.00 0.00 O ATOM 115 CB LEU A 10 -6.126 -3.149 -11.942 1.00 0.00 C ATOM 116 CG LEU A 10 -4.810 -2.411 -11.674 1.00 0.00 C ATOM 117 CD1 LEU A 10 -3.820 -3.320 -10.962 1.00 0.00 C ATOM 118 CD2 LEU A 10 -4.217 -1.888 -12.973 1.00 0.00 C ATOM 0 H LEU A 10 -7.015 -0.530 -11.475 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.198 -3.242 -11.374 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.003 -4.195 -11.661 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.325 -3.129 -13.013 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.021 -1.561 -11.025 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.892 -2.777 -10.781 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.242 -3.644 -10.011 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.615 -4.192 -11.583 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.283 -1.367 -12.763 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.023 -2.723 -13.647 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.919 -1.199 -13.442 1.00 0.00 H new ATOM 130 N PRO A 11 -8.000 -1.947 -8.925 1.00 0.00 N ATOM 131 CA PRO A 11 -7.849 -1.828 -7.474 1.00 0.00 C ATOM 132 C PRO A 11 -8.160 -3.131 -6.743 1.00 0.00 C ATOM 133 O PRO A 11 -9.235 -3.288 -6.164 1.00 0.00 O ATOM 134 CB PRO A 11 -8.874 -0.756 -7.112 1.00 0.00 C ATOM 135 CG PRO A 11 -9.951 -0.913 -8.130 1.00 0.00 C ATOM 136 CD PRO A 11 -9.271 -1.361 -9.398 1.00 0.00 C ATOM 0 HA PRO A 11 -6.826 -1.584 -7.186 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.258 -0.899 -6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.435 0.241 -7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.690 -1.646 -7.805 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.481 0.027 -8.284 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.873 -2.092 -9.938 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.099 -0.526 -10.077 1.00 0.00 H new ATOM 144 N ARG A 12 -7.210 -4.061 -6.768 1.00 0.00 N ATOM 145 CA ARG A 12 -7.387 -5.346 -6.101 1.00 0.00 C ATOM 146 C ARG A 12 -6.984 -5.249 -4.632 1.00 0.00 C ATOM 147 O ARG A 12 -6.020 -4.565 -4.288 1.00 0.00 O ATOM 148 CB ARG A 12 -6.561 -6.429 -6.798 1.00 0.00 C ATOM 149 CG ARG A 12 -5.119 -6.027 -7.058 1.00 0.00 C ATOM 150 CD ARG A 12 -4.213 -7.243 -7.166 1.00 0.00 C ATOM 151 NE ARG A 12 -4.786 -8.281 -8.021 1.00 0.00 N ATOM 152 CZ ARG A 12 -4.754 -8.249 -9.351 1.00 0.00 C ATOM 153 NH1 ARG A 12 -4.178 -7.232 -9.983 1.00 0.00 N ATOM 154 NH2 ARG A 12 -5.297 -9.234 -10.051 1.00 0.00 N ATOM 0 H ARG A 12 -6.313 -3.949 -7.241 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.442 -5.616 -6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.572 -7.331 -6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.035 -6.681 -7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.062 -5.447 -7.979 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.769 -5.382 -6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.245 -6.939 -7.564 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.034 -7.651 -6.171 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.237 -9.077 -7.571 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.758 -6.472 -9.449 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.156 -7.212 -11.003 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.740 -10.017 -9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.272 -9.209 -11.070 1.00 0.00 H new ATOM 168 N VAL A 13 -7.732 -5.931 -3.772 1.00 0.00 N ATOM 169 CA VAL A 13 -7.451 -5.915 -2.341 1.00 0.00 C ATOM 170 C VAL A 13 -7.271 -7.326 -1.787 1.00 0.00 C ATOM 171 O VAL A 13 -7.367 -7.543 -0.579 1.00 0.00 O ATOM 172 CB VAL A 13 -8.577 -5.214 -1.558 1.00 0.00 C ATOM 173 CG1 VAL A 13 -8.649 -3.739 -1.929 1.00 0.00 C ATOM 174 CG2 VAL A 13 -9.911 -5.902 -1.814 1.00 0.00 C ATOM 0 H VAL A 13 -8.535 -6.500 -4.039 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.521 -5.361 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.354 -5.285 -0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.450 -3.261 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.701 -3.257 -1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.848 -3.642 -2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.696 -5.394 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.142 -5.863 -2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.851 -6.942 -1.494 1.00 0.00 H new ATOM 184 N THR A 14 -7.009 -8.282 -2.672 1.00 0.00 N ATOM 185 CA THR A 14 -6.816 -9.668 -2.261 1.00 0.00 C ATOM 186 C THR A 14 -6.201 -10.487 -3.390 1.00 0.00 C ATOM 187 O THR A 14 -6.108 -10.024 -4.527 1.00 0.00 O ATOM 188 CB THR A 14 -8.146 -10.289 -1.831 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.236 -9.569 -2.378 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.330 -10.327 -0.330 1.00 0.00 C ATOM 0 H THR A 14 -6.926 -8.123 -3.676 1.00 0.00 H new ATOM 0 HA THR A 14 -6.131 -9.676 -1.413 1.00 0.00 H new ATOM 0 HB THR A 14 -8.121 -11.313 -2.205 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.077 -9.983 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.293 -10.779 -0.093 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.531 -10.917 0.120 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.298 -9.312 0.066 1.00 0.00 H new ATOM 198 N CYS A 15 -5.780 -11.704 -3.067 1.00 0.00 N ATOM 199 CA CYS A 15 -5.170 -12.590 -4.050 1.00 0.00 C ATOM 200 C CYS A 15 -6.229 -13.262 -4.919 1.00 0.00 C ATOM 201 O CYS A 15 -7.228 -13.768 -4.408 1.00 0.00 O ATOM 202 CB CYS A 15 -4.346 -13.668 -3.348 1.00 0.00 C ATOM 203 SG CYS A 15 -3.203 -14.555 -4.432 1.00 0.00 S ATOM 0 H CYS A 15 -5.850 -12.100 -2.130 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.524 -11.984 -4.686 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.778 -13.206 -2.540 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.025 -14.387 -2.889 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.867 -15.683 -3.879 1.00 0.00 H new ATOM 209 N PRO A 16 -6.020 -13.298 -6.247 1.00 0.00 N ATOM 210 CA PRO A 16 -6.960 -13.938 -7.169 1.00 0.00 C ATOM 211 C PRO A 16 -6.983 -15.453 -6.986 1.00 0.00 C ATOM 212 O PRO A 16 -7.928 -16.126 -7.395 1.00 0.00 O ATOM 213 CB PRO A 16 -6.413 -13.573 -8.551 1.00 0.00 C ATOM 214 CG PRO A 16 -4.960 -13.339 -8.329 1.00 0.00 C ATOM 215 CD PRO A 16 -4.848 -12.742 -6.954 1.00 0.00 C ATOM 0 HA PRO A 16 -7.986 -13.607 -7.009 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.580 -14.376 -9.268 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.902 -12.684 -8.949 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.399 -14.271 -8.398 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.553 -12.665 -9.083 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.914 -13.023 -6.468 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.876 -11.653 -6.985 1.00 0.00 H new ATOM 223 N ASN A 17 -5.928 -15.982 -6.365 1.00 0.00 N ATOM 224 CA ASN A 17 -5.813 -17.414 -6.122 1.00 0.00 C ATOM 225 C ASN A 17 -5.831 -17.727 -4.624 1.00 0.00 C ATOM 226 O ASN A 17 -5.960 -18.885 -4.227 1.00 0.00 O ATOM 227 CB ASN A 17 -4.526 -17.953 -6.750 1.00 0.00 C ATOM 228 CG ASN A 17 -4.792 -18.788 -7.987 1.00 0.00 C ATOM 229 OD1 ASN A 17 -5.802 -19.485 -8.072 1.00 0.00 O ATOM 230 ND2 ASN A 17 -3.882 -18.719 -8.953 1.00 0.00 N ATOM 0 H ASN A 17 -5.139 -15.434 -6.021 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.672 -17.902 -6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.875 -17.118 -7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.992 -18.556 -6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.006 -19.258 -9.810 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.060 -18.127 -8.838 1.00 0.00 H new ATOM 237 N HIS A 18 -5.715 -16.692 -3.794 1.00 0.00 N ATOM 238 CA HIS A 18 -5.731 -16.870 -2.347 1.00 0.00 C ATOM 239 C HIS A 18 -6.709 -15.892 -1.696 1.00 0.00 C ATOM 240 O HIS A 18 -6.322 -14.798 -1.286 1.00 0.00 O ATOM 241 CB HIS A 18 -4.335 -16.670 -1.753 1.00 0.00 C ATOM 242 CG HIS A 18 -3.311 -17.664 -2.212 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.123 -17.296 -2.809 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.278 -19.015 -2.120 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.401 -18.372 -3.059 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.081 -19.428 -2.652 1.00 0.00 N ATOM 0 H HIS A 18 -5.609 -15.725 -4.100 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.055 -17.891 -2.143 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.988 -15.668 -2.005 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.407 -16.718 -0.666 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.048 -19.649 -1.706 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.423 -18.386 -3.517 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.767 -20.396 -2.722 1.00 0.00 H new ATOM 255 N PRO A 19 -7.993 -16.273 -1.589 1.00 0.00 N ATOM 256 CA PRO A 19 -9.016 -15.417 -0.983 1.00 0.00 C ATOM 257 C PRO A 19 -8.695 -15.084 0.468 1.00 0.00 C ATOM 258 O PRO A 19 -8.963 -13.977 0.936 1.00 0.00 O ATOM 259 CB PRO A 19 -10.299 -16.252 -1.075 1.00 0.00 C ATOM 260 CG PRO A 19 -9.842 -17.655 -1.293 1.00 0.00 C ATOM 261 CD PRO A 19 -8.544 -17.560 -2.040 1.00 0.00 C ATOM 0 HA PRO A 19 -9.093 -14.455 -1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.889 -16.168 -0.162 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.931 -15.912 -1.896 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.708 -18.173 -0.343 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.579 -18.221 -1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.879 -18.390 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.698 -17.577 -3.119 1.00 0.00 H new ATOM 269 N ASP A 20 -8.119 -16.048 1.178 1.00 0.00 N ATOM 270 CA ASP A 20 -7.761 -15.854 2.578 1.00 0.00 C ATOM 271 C ASP A 20 -6.460 -15.065 2.706 1.00 0.00 C ATOM 272 O ASP A 20 -6.273 -14.313 3.662 1.00 0.00 O ATOM 273 CB ASP A 20 -7.625 -17.205 3.283 1.00 0.00 C ATOM 274 CG ASP A 20 -8.943 -17.695 3.853 1.00 0.00 C ATOM 275 OD1 ASP A 20 -10.002 -17.214 3.398 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.916 -18.561 4.752 1.00 0.00 O ATOM 0 H ASP A 20 -7.890 -16.970 0.807 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.557 -15.282 3.054 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.240 -17.942 2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.894 -17.120 4.087 1.00 0.00 H new ATOM 281 N ALA A 21 -5.564 -15.241 1.739 1.00 0.00 N ATOM 282 CA ALA A 21 -4.281 -14.545 1.748 1.00 0.00 C ATOM 283 C ALA A 21 -4.444 -13.078 1.360 1.00 0.00 C ATOM 284 O ALA A 21 -4.367 -12.719 0.183 1.00 0.00 O ATOM 285 CB ALA A 21 -3.303 -15.240 0.822 1.00 0.00 C ATOM 0 H ALA A 21 -5.703 -15.859 0.940 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.884 -14.575 2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.350 -14.712 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.154 -16.267 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.701 -15.241 -0.193 1.00 0.00 H new ATOM 291 N ILE A 22 -4.700 -12.253 2.366 1.00 0.00 N ATOM 292 CA ILE A 22 -4.912 -10.821 2.164 1.00 0.00 C ATOM 293 C ILE A 22 -3.613 -10.062 1.887 1.00 0.00 C ATOM 294 O ILE A 22 -3.152 -9.282 2.719 1.00 0.00 O ATOM 295 CB ILE A 22 -5.620 -10.176 3.370 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.762 -11.067 3.866 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.138 -8.798 2.991 1.00 0.00 C ATOM 298 CD1 ILE A 22 -6.453 -11.773 5.168 1.00 0.00 C ATOM 0 H ILE A 22 -4.767 -12.552 3.339 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.548 -10.744 1.282 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.901 -10.068 4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.657 -10.459 3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.989 -11.811 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.637 -8.348 3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.303 -8.167 2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.845 -8.889 2.166 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.305 -12.387 5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.576 -12.408 5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.255 -11.034 5.944 1.00 0.00 H new ATOM 310 N LEU A 23 -3.043 -10.302 0.698 1.00 0.00 N ATOM 311 CA LEU A 23 -1.798 -9.649 0.266 1.00 0.00 C ATOM 312 C LEU A 23 -1.431 -8.490 1.177 1.00 0.00 C ATOM 313 O LEU A 23 -2.111 -7.472 1.219 1.00 0.00 O ATOM 314 CB LEU A 23 -1.921 -9.134 -1.167 1.00 0.00 C ATOM 315 CG LEU A 23 -1.436 -10.097 -2.245 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.610 -10.872 -2.826 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.685 -9.346 -3.322 1.00 0.00 C ATOM 0 H LEU A 23 -3.429 -10.950 0.012 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.011 -10.402 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.966 -8.892 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.358 -8.205 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.749 -10.814 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.250 -11.556 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.098 -11.440 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.324 -10.175 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.345 -10.047 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.344 -8.606 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.176 -8.843 -2.882 1.00 0.00 H new ATOM 329 N VAL A 24 -0.369 -8.655 1.921 1.00 0.00 N ATOM 330 CA VAL A 24 0.059 -7.628 2.839 1.00 0.00 C ATOM 331 C VAL A 24 0.809 -6.521 2.113 1.00 0.00 C ATOM 332 O VAL A 24 1.165 -6.659 0.945 1.00 0.00 O ATOM 333 CB VAL A 24 0.906 -8.243 3.959 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.016 -7.296 5.146 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.283 -9.573 4.369 1.00 0.00 C ATOM 0 H VAL A 24 0.217 -9.490 1.911 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.823 -7.174 3.290 1.00 0.00 H new ATOM 0 HB VAL A 24 1.919 -8.415 3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.622 -7.758 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.484 -6.365 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.021 -7.086 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.876 -10.022 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.734 -9.404 4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.261 -10.244 3.511 1.00 0.00 H new ATOM 345 N GLU A 25 1.015 -5.418 2.808 1.00 0.00 N ATOM 346 CA GLU A 25 1.678 -4.282 2.244 1.00 0.00 C ATOM 347 C GLU A 25 3.168 -4.475 2.288 1.00 0.00 C ATOM 348 O GLU A 25 3.749 -4.787 3.326 1.00 0.00 O ATOM 349 CB GLU A 25 1.284 -3.003 2.986 1.00 0.00 C ATOM 350 CG GLU A 25 0.104 -2.281 2.357 1.00 0.00 C ATOM 351 CD GLU A 25 0.407 -0.830 2.039 1.00 0.00 C ATOM 352 OE1 GLU A 25 1.216 -0.580 1.120 1.00 0.00 O ATOM 353 OE2 GLU A 25 -0.162 0.057 2.709 1.00 0.00 O ATOM 0 H GLU A 25 0.724 -5.295 3.778 1.00 0.00 H new ATOM 0 HA GLU A 25 1.368 -4.183 1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.040 -3.251 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.140 -2.329 3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.186 -2.796 1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.749 -2.330 3.034 1.00 0.00 H new ATOM 360 N ASP A 26 3.772 -4.262 1.144 1.00 0.00 N ATOM 361 CA ASP A 26 5.199 -4.368 0.976 1.00 0.00 C ATOM 362 C ASP A 26 5.662 -5.799 0.681 1.00 0.00 C ATOM 363 O ASP A 26 4.876 -6.638 0.258 1.00 0.00 O ATOM 364 CB ASP A 26 5.944 -3.786 2.172 1.00 0.00 C ATOM 365 CG ASP A 26 5.344 -2.477 2.648 1.00 0.00 C ATOM 366 OD1 ASP A 26 5.513 -1.457 1.947 1.00 0.00 O ATOM 367 OD2 ASP A 26 4.705 -2.472 3.721 1.00 0.00 O ATOM 0 H ASP A 26 3.276 -4.006 0.290 1.00 0.00 H new ATOM 0 HA ASP A 26 5.447 -3.774 0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.931 -4.507 2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.988 -3.627 1.903 1.00 0.00 H new ATOM 372 N TYR A 27 6.954 -6.054 0.916 1.00 0.00 N ATOM 373 CA TYR A 27 7.588 -7.357 0.693 1.00 0.00 C ATOM 374 C TYR A 27 9.067 -7.146 0.465 1.00 0.00 C ATOM 375 O TYR A 27 9.537 -7.155 -0.673 1.00 0.00 O ATOM 376 CB TYR A 27 7.023 -8.101 -0.517 1.00 0.00 C ATOM 377 CG TYR A 27 7.703 -9.434 -0.760 1.00 0.00 C ATOM 378 CD1 TYR A 27 8.007 -10.280 0.302 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.044 -9.845 -2.041 1.00 0.00 C ATOM 380 CE1 TYR A 27 8.628 -11.495 0.091 1.00 0.00 C ATOM 381 CE2 TYR A 27 8.665 -11.060 -2.260 1.00 0.00 C ATOM 382 CZ TYR A 27 8.954 -11.881 -1.191 1.00 0.00 C ATOM 383 OH TYR A 27 9.572 -13.092 -1.404 1.00 0.00 O ATOM 0 H TYR A 27 7.599 -5.348 1.272 1.00 0.00 H new ATOM 0 HA TYR A 27 7.390 -7.963 1.577 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.955 -8.265 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.131 -7.477 -1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.753 -9.981 1.308 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.820 -9.204 -2.881 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.857 -12.140 0.927 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.923 -11.365 -3.264 1.00 0.00 H new ATOM 0 HH TYR A 27 9.732 -13.213 -2.363 1.00 0.00 H new ATOM 393 N ARG A 28 9.805 -6.927 1.546 1.00 0.00 N ATOM 394 CA ARG A 28 11.233 -6.684 1.432 1.00 0.00 C ATOM 395 C ARG A 28 11.457 -5.416 0.618 1.00 0.00 C ATOM 396 O ARG A 28 12.329 -5.365 -0.250 1.00 0.00 O ATOM 397 CB ARG A 28 11.921 -7.874 0.760 1.00 0.00 C ATOM 398 CG ARG A 28 11.627 -9.206 1.431 1.00 0.00 C ATOM 399 CD ARG A 28 12.334 -9.322 2.772 1.00 0.00 C ATOM 400 NE ARG A 28 11.684 -8.515 3.804 1.00 0.00 N ATOM 401 CZ ARG A 28 10.482 -8.786 4.307 1.00 0.00 C ATOM 402 NH1 ARG A 28 9.795 -9.837 3.880 1.00 0.00 N ATOM 403 NH2 ARG A 28 9.965 -7.998 5.240 1.00 0.00 N ATOM 0 H ARG A 28 9.442 -6.913 2.499 1.00 0.00 H new ATOM 0 HA ARG A 28 11.662 -6.559 2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.605 -7.924 -0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.998 -7.707 0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.552 -9.313 1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.944 -10.021 0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.350 -10.366 3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.371 -9.006 2.664 1.00 0.00 H new ATOM 0 HE ARG A 28 12.180 -7.698 4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.187 -10.445 3.161 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.874 -10.038 4.271 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.488 -7.187 5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.044 -8.203 5.628 1.00 0.00 H new ATOM 417 N ALA A 29 10.629 -4.408 0.889 1.00 0.00 N ATOM 418 CA ALA A 29 10.687 -3.138 0.172 1.00 0.00 C ATOM 419 C ALA A 29 9.981 -3.274 -1.171 1.00 0.00 C ATOM 420 O ALA A 29 10.469 -2.793 -2.194 1.00 0.00 O ATOM 421 CB ALA A 29 12.128 -2.681 -0.020 1.00 0.00 C ATOM 0 H ALA A 29 9.905 -4.449 1.606 1.00 0.00 H new ATOM 0 HA ALA A 29 10.178 -2.379 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.140 -1.733 -0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.602 -2.553 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.674 -3.430 -0.594 1.00 0.00 H new ATOM 427 N GLY A 30 8.833 -3.953 -1.161 1.00 0.00 N ATOM 428 CA GLY A 30 8.085 -4.164 -2.386 1.00 0.00 C ATOM 429 C GLY A 30 6.645 -3.675 -2.317 1.00 0.00 C ATOM 430 O GLY A 30 6.310 -2.796 -1.524 1.00 0.00 O ATOM 0 H GLY A 30 8.411 -4.359 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.594 -3.654 -3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.087 -5.228 -2.624 1.00 0.00 H new ATOM 434 N ASP A 31 5.805 -4.252 -3.175 1.00 0.00 N ATOM 435 CA ASP A 31 4.384 -3.901 -3.258 1.00 0.00 C ATOM 436 C ASP A 31 3.546 -4.755 -2.304 1.00 0.00 C ATOM 437 O ASP A 31 3.920 -4.953 -1.160 1.00 0.00 O ATOM 438 CB ASP A 31 3.902 -4.042 -4.709 1.00 0.00 C ATOM 439 CG ASP A 31 4.956 -3.618 -5.716 1.00 0.00 C ATOM 440 OD1 ASP A 31 5.813 -2.781 -5.363 1.00 0.00 O ATOM 441 OD2 ASP A 31 4.924 -4.124 -6.858 1.00 0.00 O ATOM 0 H ASP A 31 6.089 -4.977 -3.834 1.00 0.00 H new ATOM 0 HA ASP A 31 4.258 -2.863 -2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.622 -5.079 -4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.005 -3.439 -4.851 1.00 0.00 H new ATOM 446 N MET A 32 2.410 -5.254 -2.781 1.00 0.00 N ATOM 447 CA MET A 32 1.523 -6.071 -1.971 1.00 0.00 C ATOM 448 C MET A 32 1.912 -7.543 -2.054 1.00 0.00 C ATOM 449 O MET A 32 1.931 -8.137 -3.121 1.00 0.00 O ATOM 450 CB MET A 32 0.112 -5.866 -2.467 1.00 0.00 C ATOM 451 CG MET A 32 -0.458 -4.506 -2.106 1.00 0.00 C ATOM 452 SD MET A 32 -2.187 -4.588 -1.601 1.00 0.00 S ATOM 453 CE MET A 32 -2.870 -3.199 -2.503 1.00 0.00 C ATOM 0 H MET A 32 2.083 -5.103 -3.735 1.00 0.00 H new ATOM 0 HA MET A 32 1.600 -5.774 -0.925 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.094 -5.984 -3.550 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.529 -6.643 -2.051 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.132 -4.072 -1.299 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.365 -3.839 -2.963 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.937 -3.118 -2.293 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.369 -2.282 -2.193 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.721 -3.351 -3.572 1.00 0.00 H new ATOM 463 N ILE A 33 2.294 -8.096 -0.925 1.00 0.00 N ATOM 464 CA ILE A 33 2.772 -9.461 -0.852 1.00 0.00 C ATOM 465 C ILE A 33 1.722 -10.444 -0.364 1.00 0.00 C ATOM 466 O ILE A 33 1.197 -10.310 0.737 1.00 0.00 O ATOM 467 CB ILE A 33 3.990 -9.468 0.097 1.00 0.00 C ATOM 468 CG1 ILE A 33 4.953 -10.610 -0.192 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.539 -9.502 1.546 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.285 -11.949 -0.262 1.00 0.00 C ATOM 0 H ILE A 33 2.282 -7.611 -0.028 1.00 0.00 H new ATOM 0 HA ILE A 33 3.036 -9.791 -1.857 1.00 0.00 H new ATOM 0 HB ILE A 33 4.536 -8.542 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.462 -10.416 -1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.719 -10.634 0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.412 -9.506 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.931 -8.622 1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.949 -10.402 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.030 -12.717 -0.471 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.800 -12.164 0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.539 -11.942 -1.056 1.00 0.00 H new ATOM 482 N CYS A 34 1.457 -11.466 -1.170 1.00 0.00 N ATOM 483 CA CYS A 34 0.522 -12.491 -0.772 1.00 0.00 C ATOM 484 C CYS A 34 1.286 -13.560 -0.013 1.00 0.00 C ATOM 485 O CYS A 34 1.861 -14.442 -0.633 1.00 0.00 O ATOM 486 CB CYS A 34 -0.145 -13.120 -1.987 1.00 0.00 C ATOM 487 SG CYS A 34 -1.495 -14.243 -1.583 1.00 0.00 S ATOM 0 H CYS A 34 1.875 -11.599 -2.091 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.254 -12.048 -0.148 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.526 -12.327 -2.631 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.606 -13.663 -2.561 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.117 -14.583 -2.673 1.00 0.00 H new ATOM 493 N PRO A 35 1.301 -13.507 1.330 1.00 0.00 N ATOM 494 CA PRO A 35 2.020 -14.473 2.168 1.00 0.00 C ATOM 495 C PRO A 35 1.884 -15.918 1.695 1.00 0.00 C ATOM 496 O PRO A 35 2.637 -16.792 2.126 1.00 0.00 O ATOM 497 CB PRO A 35 1.382 -14.298 3.559 1.00 0.00 C ATOM 498 CG PRO A 35 0.271 -13.314 3.377 1.00 0.00 C ATOM 499 CD PRO A 35 0.611 -12.517 2.155 1.00 0.00 C ATOM 0 HA PRO A 35 3.093 -14.284 2.144 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.005 -15.248 3.938 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.113 -13.934 4.281 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.684 -13.824 3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.178 -12.667 4.249 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.279 -12.125 1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.249 -11.664 2.388 1.00 0.00 H new ATOM 507 N GLU A 36 0.917 -16.170 0.832 1.00 0.00 N ATOM 508 CA GLU A 36 0.670 -17.506 0.325 1.00 0.00 C ATOM 509 C GLU A 36 1.561 -17.810 -0.869 1.00 0.00 C ATOM 510 O GLU A 36 2.484 -18.612 -0.778 1.00 0.00 O ATOM 511 CB GLU A 36 -0.799 -17.641 -0.057 1.00 0.00 C ATOM 512 CG GLU A 36 -1.701 -18.028 1.102 1.00 0.00 C ATOM 513 CD GLU A 36 -1.292 -19.331 1.755 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.405 -20.021 1.209 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.863 -19.664 2.814 1.00 0.00 O ATOM 0 H GLU A 36 0.285 -15.459 0.465 1.00 0.00 H new ATOM 0 HA GLU A 36 0.907 -18.227 1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.145 -16.695 -0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.893 -18.389 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.687 -17.233 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.727 -18.112 0.745 1.00 0.00 H new ATOM 522 N CYS A 37 1.326 -17.118 -1.974 1.00 0.00 N ATOM 523 CA CYS A 37 2.159 -17.297 -3.159 1.00 0.00 C ATOM 524 C CYS A 37 3.291 -16.305 -3.086 1.00 0.00 C ATOM 525 O CYS A 37 4.316 -16.451 -3.740 1.00 0.00 O ATOM 526 CB CYS A 37 1.372 -17.093 -4.458 1.00 0.00 C ATOM 527 SG CYS A 37 0.265 -15.663 -4.451 1.00 0.00 S ATOM 0 H CYS A 37 0.576 -16.435 -2.077 1.00 0.00 H new ATOM 0 HA CYS A 37 2.532 -18.321 -3.173 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.078 -16.986 -5.282 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.785 -17.990 -4.656 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.816 -15.954 -3.790 1.00 0.00 H new ATOM 533 N GLY A 38 3.062 -15.290 -2.268 1.00 0.00 N ATOM 534 CA GLY A 38 4.009 -14.237 -2.055 1.00 0.00 C ATOM 535 C GLY A 38 4.170 -13.362 -3.273 1.00 0.00 C ATOM 536 O GLY A 38 5.269 -12.920 -3.610 1.00 0.00 O ATOM 0 H GLY A 38 2.200 -15.184 -1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.688 -13.627 -1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.974 -14.667 -1.788 1.00 0.00 H new ATOM 540 N LEU A 39 3.048 -13.122 -3.925 1.00 0.00 N ATOM 541 CA LEU A 39 2.989 -12.305 -5.122 1.00 0.00 C ATOM 542 C LEU A 39 3.046 -10.827 -4.756 1.00 0.00 C ATOM 543 O LEU A 39 2.564 -10.433 -3.695 1.00 0.00 O ATOM 544 CB LEU A 39 1.684 -12.593 -5.854 1.00 0.00 C ATOM 545 CG LEU A 39 0.479 -11.884 -5.250 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.225 -10.589 -5.985 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.752 -12.766 -5.263 1.00 0.00 C ATOM 0 H LEU A 39 2.143 -13.493 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 39 3.839 -12.543 -5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.788 -12.292 -6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.503 -13.668 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 39 0.701 -11.661 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.638 -10.086 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.101 -9.945 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.029 -10.800 -7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.591 -12.226 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.993 -13.039 -6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.559 -13.669 -4.684 1.00 0.00 H new ATOM 559 N VAL A 40 3.658 -10.026 -5.623 1.00 0.00 N ATOM 560 CA VAL A 40 3.806 -8.604 -5.380 1.00 0.00 C ATOM 561 C VAL A 40 2.979 -7.771 -6.352 1.00 0.00 C ATOM 562 O VAL A 40 3.211 -7.798 -7.560 1.00 0.00 O ATOM 563 CB VAL A 40 5.282 -8.190 -5.500 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.457 -6.714 -5.187 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.144 -9.042 -4.587 1.00 0.00 C ATOM 0 H VAL A 40 4.060 -10.345 -6.504 1.00 0.00 H new ATOM 0 HA VAL A 40 3.445 -8.415 -4.369 1.00 0.00 H new ATOM 0 HB VAL A 40 5.603 -8.354 -6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.509 -6.445 -5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.869 -6.121 -5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.119 -6.515 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.186 -8.738 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.821 -8.911 -3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.045 -10.091 -4.867 1.00 0.00 H new ATOM 575 N VAL A 41 2.038 -7.000 -5.813 1.00 0.00 N ATOM 576 CA VAL A 41 1.211 -6.126 -6.637 1.00 0.00 C ATOM 577 C VAL A 41 1.314 -4.687 -6.147 1.00 0.00 C ATOM 578 O VAL A 41 1.169 -4.426 -4.953 1.00 0.00 O ATOM 579 CB VAL A 41 -0.289 -6.496 -6.636 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.897 -6.277 -8.015 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.521 -7.905 -6.172 1.00 0.00 C ATOM 0 H VAL A 41 1.831 -6.963 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 41 1.595 -6.247 -7.650 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.785 -5.835 -5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.954 -6.543 -7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.793 -5.229 -8.296 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.380 -6.902 -8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.589 -8.122 -6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.001 -8.597 -6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.142 -8.021 -5.157 1.00 0.00 H new ATOM 591 N GLY A 42 1.547 -3.754 -7.062 1.00 0.00 N ATOM 592 CA GLY A 42 1.645 -2.362 -6.683 1.00 0.00 C ATOM 593 C GLY A 42 2.905 -1.720 -7.207 1.00 0.00 C ATOM 594 O GLY A 42 3.652 -2.334 -7.969 1.00 0.00 O ATOM 0 H GLY A 42 1.669 -3.938 -8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.778 -1.821 -7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.621 -2.280 -5.596 1.00 0.00 H new ATOM 598 N ASP A 43 3.143 -0.482 -6.806 1.00 0.00 N ATOM 599 CA ASP A 43 4.324 0.238 -7.248 1.00 0.00 C ATOM 600 C ASP A 43 5.297 0.457 -6.094 1.00 0.00 C ATOM 601 O ASP A 43 4.891 0.788 -4.981 1.00 0.00 O ATOM 602 CB ASP A 43 3.923 1.584 -7.854 1.00 0.00 C ATOM 603 CG ASP A 43 3.028 1.430 -9.068 1.00 0.00 C ATOM 604 OD1 ASP A 43 3.093 0.369 -9.723 1.00 0.00 O ATOM 605 OD2 ASP A 43 2.261 2.372 -9.362 1.00 0.00 O ATOM 0 H ASP A 43 2.536 0.043 -6.177 1.00 0.00 H new ATOM 0 HA ASP A 43 4.823 -0.364 -8.007 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.408 2.179 -7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.821 2.134 -8.136 1.00 0.00 H new ATOM 610 N ARG A 44 6.581 0.271 -6.373 1.00 0.00 N ATOM 611 CA ARG A 44 7.618 0.448 -5.365 1.00 0.00 C ATOM 612 C ARG A 44 8.219 1.848 -5.452 1.00 0.00 C ATOM 613 O ARG A 44 9.305 2.035 -6.001 1.00 0.00 O ATOM 614 CB ARG A 44 8.711 -0.605 -5.543 1.00 0.00 C ATOM 615 CG ARG A 44 9.768 -0.584 -4.448 1.00 0.00 C ATOM 616 CD ARG A 44 11.107 -0.079 -4.965 1.00 0.00 C ATOM 617 NE ARG A 44 11.467 -0.690 -6.244 1.00 0.00 N ATOM 618 CZ ARG A 44 12.310 -0.142 -7.117 1.00 0.00 C ATOM 619 NH1 ARG A 44 12.896 1.019 -6.847 1.00 0.00 N ATOM 620 NH2 ARG A 44 12.571 -0.756 -8.262 1.00 0.00 N ATOM 0 H ARG A 44 6.930 -0.003 -7.292 1.00 0.00 H new ATOM 0 HA ARG A 44 7.166 0.326 -4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.250 -1.592 -5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.197 -0.452 -6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.431 0.052 -3.630 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.890 -1.588 -4.042 1.00 0.00 H new ATOM 0 HD2 ARG A 44 11.066 1.004 -5.080 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.883 -0.293 -4.230 1.00 0.00 H new ATOM 0 HE ARG A 44 11.048 -1.589 -6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.701 1.496 -5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.541 1.433 -7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.126 -1.649 -8.475 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.217 -0.336 -8.930 1.00 0.00 H new ATOM 634 N VAL A 45 7.501 2.829 -4.913 1.00 0.00 N ATOM 635 CA VAL A 45 7.962 4.212 -4.935 1.00 0.00 C ATOM 636 C VAL A 45 7.437 4.982 -3.723 1.00 0.00 C ATOM 637 O VAL A 45 6.662 4.447 -2.930 1.00 0.00 O ATOM 638 CB VAL A 45 7.528 4.920 -6.241 1.00 0.00 C ATOM 639 CG1 VAL A 45 6.098 5.434 -6.145 1.00 0.00 C ATOM 640 CG2 VAL A 45 8.489 6.049 -6.584 1.00 0.00 C ATOM 0 H VAL A 45 6.599 2.692 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 45 9.051 4.197 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 45 7.560 4.186 -7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.825 5.926 -7.079 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.422 4.598 -5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.022 6.147 -5.324 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.166 6.534 -7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.498 6.778 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.492 5.645 -6.719 1.00 0.00 H new ATOM 650 N ILE A 46 7.865 6.239 -3.589 1.00 0.00 N ATOM 651 CA ILE A 46 7.447 7.095 -2.479 1.00 0.00 C ATOM 652 C ILE A 46 8.315 6.855 -1.246 1.00 0.00 C ATOM 653 O ILE A 46 8.891 5.780 -1.080 1.00 0.00 O ATOM 654 CB ILE A 46 5.947 6.898 -2.124 1.00 0.00 C ATOM 655 CG1 ILE A 46 5.272 8.255 -1.908 1.00 0.00 C ATOM 656 CG2 ILE A 46 5.768 6.015 -0.892 1.00 0.00 C ATOM 657 CD1 ILE A 46 3.876 8.333 -2.484 1.00 0.00 C ATOM 0 H ILE A 46 8.506 6.689 -4.242 1.00 0.00 H new ATOM 0 HA ILE A 46 7.579 8.126 -2.808 1.00 0.00 H new ATOM 0 HB ILE A 46 5.472 6.391 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.228 8.464 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.887 9.034 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.705 5.902 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.207 5.035 -1.080 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.264 6.477 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.459 9.322 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.915 8.156 -3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.246 7.577 -2.015 1.00 0.00 H new ATOM 669 N ASP A 47 8.402 7.863 -0.384 1.00 0.00 N ATOM 670 CA ASP A 47 9.198 7.761 0.835 1.00 0.00 C ATOM 671 C ASP A 47 10.676 7.589 0.501 1.00 0.00 C ATOM 672 O ASP A 47 11.032 6.885 -0.444 1.00 0.00 O ATOM 673 CB ASP A 47 8.710 6.590 1.691 1.00 0.00 C ATOM 674 CG ASP A 47 7.945 7.049 2.915 1.00 0.00 C ATOM 675 OD1 ASP A 47 8.567 7.654 3.814 1.00 0.00 O ATOM 676 OD2 ASP A 47 6.722 6.802 2.977 1.00 0.00 O ATOM 0 H ASP A 47 7.931 8.760 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 47 9.078 8.685 1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.072 5.944 1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.565 5.991 2.004 1.00 0.00 H new ATOM 681 N VAL A 48 11.534 8.239 1.280 1.00 0.00 N ATOM 682 CA VAL A 48 12.975 8.158 1.064 1.00 0.00 C ATOM 683 C VAL A 48 13.723 8.016 2.388 1.00 0.00 C ATOM 684 O VAL A 48 14.124 6.915 2.768 1.00 0.00 O ATOM 685 CB VAL A 48 13.514 9.394 0.304 1.00 0.00 C ATOM 686 CG1 VAL A 48 13.775 9.050 -1.155 1.00 0.00 C ATOM 687 CG2 VAL A 48 12.549 10.569 0.414 1.00 0.00 C ATOM 0 H VAL A 48 11.258 8.827 2.066 1.00 0.00 H new ATOM 0 HA VAL A 48 13.149 7.272 0.454 1.00 0.00 H new ATOM 0 HB VAL A 48 14.457 9.690 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 48 14.153 9.930 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 48 14.512 8.249 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.847 8.724 -1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.953 11.424 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.586 10.290 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 48 12.417 10.835 1.463 1.00 0.00 H new ATOM 697 N GLY A 49 13.909 9.133 3.084 1.00 0.00 N ATOM 698 CA GLY A 49 14.610 9.105 4.356 1.00 0.00 C ATOM 699 C GLY A 49 14.912 10.495 4.881 1.00 0.00 C ATOM 700 O GLY A 49 14.811 11.479 4.148 1.00 0.00 O ATOM 0 H GLY A 49 13.588 10.056 2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 49 14.008 8.566 5.088 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.543 8.552 4.242 1.00 0.00 H new ATOM 704 N SER A 50 15.284 10.577 6.155 1.00 0.00 N ATOM 705 CA SER A 50 15.601 11.855 6.779 1.00 0.00 C ATOM 706 C SER A 50 14.410 12.804 6.711 1.00 0.00 C ATOM 707 O SER A 50 14.324 13.646 5.816 1.00 0.00 O ATOM 708 CB SER A 50 16.815 12.492 6.097 1.00 0.00 C ATOM 709 OG SER A 50 17.650 13.137 7.042 1.00 0.00 O ATOM 0 H SER A 50 15.373 9.772 6.775 1.00 0.00 H new ATOM 0 HA SER A 50 15.836 11.671 7.827 1.00 0.00 H new ATOM 0 HB2 SER A 50 17.383 11.726 5.568 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.480 13.213 5.351 1.00 0.00 H new ATOM 0 HG SER A 50 18.419 13.534 6.582 1.00 0.00 H new ATOM 715 N GLU A 51 13.491 12.665 7.662 1.00 0.00 N ATOM 716 CA GLU A 51 12.304 13.510 7.707 1.00 0.00 C ATOM 717 C GLU A 51 12.212 14.264 9.032 1.00 0.00 C ATOM 718 O GLU A 51 11.134 14.708 9.427 1.00 0.00 O ATOM 719 CB GLU A 51 11.044 12.667 7.499 1.00 0.00 C ATOM 720 CG GLU A 51 10.708 12.425 6.039 1.00 0.00 C ATOM 721 CD GLU A 51 9.979 13.594 5.406 1.00 0.00 C ATOM 722 OE1 GLU A 51 8.859 13.910 5.858 1.00 0.00 O ATOM 723 OE2 GLU A 51 10.530 14.194 4.460 1.00 0.00 O ATOM 0 H GLU A 51 13.546 11.975 8.411 1.00 0.00 H new ATOM 0 HA GLU A 51 12.384 14.241 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.174 11.706 7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.201 13.164 7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.627 12.232 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.092 11.530 5.955 1.00 0.00 H new ATOM 730 N TRP A 52 13.346 14.410 9.712 1.00 0.00 N ATOM 731 CA TRP A 52 13.384 15.116 10.988 1.00 0.00 C ATOM 732 C TRP A 52 12.424 14.474 11.994 1.00 0.00 C ATOM 733 O TRP A 52 12.090 13.296 11.871 1.00 0.00 O ATOM 734 CB TRP A 52 13.035 16.593 10.777 1.00 0.00 C ATOM 735 CG TRP A 52 14.028 17.530 11.392 1.00 0.00 C ATOM 736 CD1 TRP A 52 14.824 17.287 12.474 1.00 0.00 C ATOM 737 CD2 TRP A 52 14.332 18.862 10.961 1.00 0.00 C ATOM 738 NE1 TRP A 52 15.605 18.385 12.742 1.00 0.00 N ATOM 739 CE2 TRP A 52 15.321 19.366 11.829 1.00 0.00 C ATOM 740 CE3 TRP A 52 13.863 19.678 9.929 1.00 0.00 C ATOM 741 CZ2 TRP A 52 15.848 20.646 11.691 1.00 0.00 C ATOM 742 CZ3 TRP A 52 14.388 20.951 9.794 1.00 0.00 C ATOM 743 CH2 TRP A 52 15.372 21.423 10.671 1.00 0.00 C ATOM 0 H TRP A 52 14.248 14.050 9.401 1.00 0.00 H new ATOM 0 HA TRP A 52 14.393 15.046 11.395 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.970 16.795 9.708 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.050 16.790 11.199 1.00 0.00 H new ATOM 0 HD1 TRP A 52 14.838 16.366 13.037 1.00 0.00 H new ATOM 0 HE1 TRP A 52 16.286 18.458 13.498 1.00 0.00 H new ATOM 0 HE3 TRP A 52 13.104 19.322 9.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 16.607 21.014 12.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 14.033 21.591 9.000 1.00 0.00 H new ATOM 0 HH2 TRP A 52 15.763 22.421 10.539 1.00 0.00 H new ATOM 754 N ARG A 53 11.988 15.254 12.987 1.00 0.00 N ATOM 755 CA ARG A 53 11.067 14.768 14.017 1.00 0.00 C ATOM 756 C ARG A 53 11.817 14.010 15.108 1.00 0.00 C ATOM 757 O ARG A 53 12.429 12.972 14.852 1.00 0.00 O ATOM 758 CB ARG A 53 9.981 13.871 13.411 1.00 0.00 C ATOM 759 CG ARG A 53 8.765 13.698 14.306 1.00 0.00 C ATOM 760 CD ARG A 53 8.431 12.229 14.516 1.00 0.00 C ATOM 761 NE ARG A 53 7.117 12.048 15.127 1.00 0.00 N ATOM 762 CZ ARG A 53 6.879 12.179 16.430 1.00 0.00 C ATOM 763 NH1 ARG A 53 7.864 12.496 17.263 1.00 0.00 N ATOM 764 NH2 ARG A 53 5.654 11.996 16.903 1.00 0.00 N ATOM 0 H ARG A 53 12.260 16.231 13.099 1.00 0.00 H new ATOM 0 HA ARG A 53 10.588 15.640 14.463 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.663 14.293 12.458 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.408 12.891 13.199 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.951 14.171 15.270 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.910 14.207 13.861 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.460 11.710 13.558 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.191 11.771 15.149 1.00 0.00 H new ATOM 0 HE ARG A 53 6.335 11.807 14.519 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.808 12.640 16.905 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.676 12.595 18.261 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.893 11.755 16.268 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.473 12.097 17.902 1.00 0.00 H new ATOM 778 N THR A 54 11.762 14.537 16.327 1.00 0.00 N ATOM 779 CA THR A 54 12.430 13.916 17.464 1.00 0.00 C ATOM 780 C THR A 54 11.521 13.919 18.690 1.00 0.00 C ATOM 781 O THR A 54 10.323 14.181 18.584 1.00 0.00 O ATOM 782 CB THR A 54 13.736 14.651 17.778 1.00 0.00 C ATOM 783 OG1 THR A 54 14.179 15.389 16.652 1.00 0.00 O ATOM 784 CG2 THR A 54 14.860 13.725 18.192 1.00 0.00 C ATOM 0 H THR A 54 11.260 15.396 16.553 1.00 0.00 H new ATOM 0 HA THR A 54 12.659 12.882 17.204 1.00 0.00 H new ATOM 0 HB THR A 54 13.503 15.309 18.615 1.00 0.00 H new ATOM 0 HG1 THR A 54 15.014 15.853 16.873 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.756 14.310 18.400 1.00 0.00 H new ATOM 0 HG22 THR A 54 14.569 13.177 19.088 1.00 0.00 H new ATOM 0 HG23 THR A 54 15.066 13.020 17.387 1.00 0.00 H new ATOM 792 N PHE A 55 12.096 13.628 19.852 1.00 0.00 N ATOM 793 CA PHE A 55 11.333 13.601 21.096 1.00 0.00 C ATOM 794 C PHE A 55 11.248 14.995 21.711 1.00 0.00 C ATOM 795 O PHE A 55 11.724 15.227 22.822 1.00 0.00 O ATOM 796 CB PHE A 55 11.957 12.620 22.096 1.00 0.00 C ATOM 797 CG PHE A 55 13.458 12.679 22.155 1.00 0.00 C ATOM 798 CD1 PHE A 55 14.098 13.563 23.010 1.00 0.00 C ATOM 799 CD2 PHE A 55 14.228 11.849 21.357 1.00 0.00 C ATOM 800 CE1 PHE A 55 15.477 13.619 23.066 1.00 0.00 C ATOM 801 CE2 PHE A 55 15.609 11.900 21.410 1.00 0.00 C ATOM 802 CZ PHE A 55 16.234 12.785 22.265 1.00 0.00 C ATOM 0 H PHE A 55 13.086 13.408 19.959 1.00 0.00 H new ATOM 0 HA PHE A 55 10.323 13.263 20.862 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.556 12.825 23.089 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.654 11.607 21.833 1.00 0.00 H new ATOM 0 HD1 PHE A 55 13.511 14.216 23.640 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.745 11.154 20.686 1.00 0.00 H new ATOM 0 HE1 PHE A 55 15.963 14.314 23.735 1.00 0.00 H new ATOM 0 HE2 PHE A 55 16.198 11.248 20.783 1.00 0.00 H new ATOM 0 HZ PHE A 55 17.312 12.826 22.308 1.00 0.00 H new ATOM 812 N SER A 56 10.636 15.921 20.979 1.00 0.00 N ATOM 813 CA SER A 56 10.486 17.294 21.449 1.00 0.00 C ATOM 814 C SER A 56 11.845 17.961 21.626 1.00 0.00 C ATOM 815 O SER A 56 12.879 17.292 21.634 1.00 0.00 O ATOM 816 CB SER A 56 9.713 17.323 22.769 1.00 0.00 C ATOM 817 OG SER A 56 8.440 16.716 22.632 1.00 0.00 O ATOM 0 H SER A 56 10.236 15.745 20.057 1.00 0.00 H new ATOM 0 HA SER A 56 9.926 17.849 20.697 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.284 16.805 23.539 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.593 18.354 23.100 1.00 0.00 H new ATOM 0 HG SER A 56 7.969 16.747 23.491 1.00 0.00 H new ATOM 823 N ASN A 57 11.836 19.281 21.768 1.00 0.00 N ATOM 824 CA ASN A 57 13.069 20.039 21.944 1.00 0.00 C ATOM 825 C ASN A 57 13.288 20.393 23.412 1.00 0.00 C ATOM 826 O ASN A 57 12.450 21.048 24.034 1.00 0.00 O ATOM 827 CB ASN A 57 13.033 21.314 21.097 1.00 0.00 C ATOM 828 CG ASN A 57 14.221 21.421 20.161 1.00 0.00 C ATOM 829 OD1 ASN A 57 14.859 20.421 19.831 1.00 0.00 O ATOM 830 ND2 ASN A 57 14.525 22.639 19.726 1.00 0.00 N ATOM 0 H ASN A 57 10.989 19.849 21.765 1.00 0.00 H new ATOM 0 HA ASN A 57 13.900 19.415 21.614 1.00 0.00 H new ATOM 0 HB2 ASN A 57 12.112 21.334 20.514 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.013 22.183 21.755 1.00 0.00 H new ATOM 0 HD21 ASN A 57 15.314 22.772 19.093 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.969 23.441 20.025 1.00 0.00 H new ATOM 837 N ASP A 58 14.417 19.958 23.960 1.00 0.00 N ATOM 838 CA ASP A 58 14.745 20.231 25.355 1.00 0.00 C ATOM 839 C ASP A 58 15.063 21.707 25.558 1.00 0.00 C ATOM 840 O ASP A 58 14.805 22.267 26.624 1.00 0.00 O ATOM 841 CB ASP A 58 15.934 19.374 25.797 1.00 0.00 C ATOM 842 CG ASP A 58 16.073 19.314 27.306 1.00 0.00 C ATOM 843 OD1 ASP A 58 16.710 20.224 27.879 1.00 0.00 O ATOM 844 OD2 ASP A 58 15.545 18.359 27.913 1.00 0.00 O ATOM 0 H ASP A 58 15.121 19.415 23.460 1.00 0.00 H new ATOM 0 HA ASP A 58 13.877 19.978 25.964 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.816 18.364 25.405 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.850 19.778 25.366 1.00 0.00 H new ATOM 849 N LYS A 59 15.625 22.332 24.529 1.00 0.00 N ATOM 850 CA LYS A 59 15.979 23.746 24.593 1.00 0.00 C ATOM 851 C LYS A 59 15.136 24.562 23.618 1.00 0.00 C ATOM 852 O LYS A 59 14.302 23.959 22.908 1.00 0.00 O ATOM 853 CB LYS A 59 17.466 23.934 24.284 1.00 0.00 C ATOM 854 CG LYS A 59 18.342 23.986 25.525 1.00 0.00 C ATOM 855 CD LYS A 59 19.588 23.129 25.364 1.00 0.00 C ATOM 856 CE LYS A 59 19.299 21.664 25.648 1.00 0.00 C ATOM 857 NZ LYS A 59 18.871 20.935 24.422 1.00 0.00 N ATOM 0 H LYS A 59 15.845 21.882 23.641 1.00 0.00 H new ATOM 0 HA LYS A 59 15.778 24.102 25.603 1.00 0.00 H new ATOM 0 HB2 LYS A 59 17.802 23.117 23.646 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.597 24.856 23.717 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.632 25.018 25.724 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.772 23.643 26.389 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.975 23.234 24.350 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.365 23.485 26.040 1.00 0.00 H new ATOM 0 HE2 LYS A 59 20.191 21.191 26.059 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.520 21.588 26.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.961 19.911 24.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.880 21.167 24.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 19.473 21.217 23.622 1.00 0.00 H new TER 871 LYS A 59