USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 426 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 25 TYR OH : rot -15:sc= -1.71! USER MOD Set 1.2: A 29 THR OG1 : rot 130:sc= 1.1 USER MOD Set 1.3: A 31 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 1 ARG N :NH3+ -125:sc= 0.107 (180deg=-0.111) USER MOD Single : A 5 LYS NZ :NH3+ -166:sc= -0.186 (180deg=-0.639) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.67 K(o=0.67,f=-8.3!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc=-0.00235 X(o=-0.0023,f=-0.34) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -4.46! K(o=-4.5!,f=-1.1) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 98:sc= 0.578 USER MOD Single : A 42 THR OG1 : rot -174:sc= -0.551 USER MOD Single : A 43 THR OG1 : rot 120:sc= -0.0628 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -3.1! K(o=-3.1!,f=-0.05) USER MOD Single : A 48 LYS NZ :NH3+ -114:sc= 1.05 (180deg=-0.0926) USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= -0.0159 (180deg=-0.16) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= 0.139 K(o=0.14,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.638 5.400 4.591 1.00 0.00 N ATOM 2 CA ARG A 1 13.319 4.814 4.927 1.00 0.00 C ATOM 3 C ARG A 1 13.370 3.290 4.871 1.00 0.00 C ATOM 4 O ARG A 1 14.448 2.714 4.727 1.00 0.00 O ATOM 5 CB ARG A 1 12.276 5.379 3.976 1.00 0.00 C ATOM 6 CG ARG A 1 11.944 6.847 4.238 1.00 0.00 C ATOM 7 CD ARG A 1 10.900 7.376 3.261 1.00 0.00 C ATOM 8 NE ARG A 1 10.148 8.514 3.791 1.00 0.00 N ATOM 9 CZ ARG A 1 10.634 9.745 3.920 1.00 0.00 C ATOM 10 NH1 ARG A 1 11.836 10.052 3.444 1.00 0.00 N ATOM 11 NH2 ARG A 1 9.876 10.680 4.466 1.00 0.00 N ATOM 0 H1 ARG A 1 14.943 6.032 5.359 1.00 0.00 H new ATOM 0 H2 ARG A 1 15.336 4.638 4.472 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.562 5.942 3.706 1.00 0.00 H new ATOM 0 HA ARG A 1 13.046 5.080 5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.634 5.273 2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.364 4.788 4.057 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.577 6.960 5.258 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.852 7.445 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.393 7.673 2.335 1.00 0.00 H new ATOM 0 HD3 ARG A 1 10.206 6.574 3.009 1.00 0.00 H new ATOM 0 HE ARG A 1 9.184 8.352 4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.396 9.340 2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.199 10.999 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 1 8.933 10.452 4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 1 10.234 11.629 4.572 1.00 0.00 H new ATOM 27 N ILE A 2 12.211 2.630 5.003 1.00 0.00 N ATOM 28 CA ILE A 2 12.172 1.163 4.987 1.00 0.00 C ATOM 29 C ILE A 2 10.756 0.541 4.800 1.00 0.00 C ATOM 30 O ILE A 2 10.647 -0.514 4.175 1.00 0.00 O ATOM 31 CB ILE A 2 12.853 0.573 6.259 1.00 0.00 C ATOM 32 CG1 ILE A 2 12.734 -0.952 6.287 1.00 0.00 C ATOM 33 CG2 ILE A 2 12.281 1.174 7.539 1.00 0.00 C ATOM 34 CD1 ILE A 2 13.259 -1.580 7.553 1.00 0.00 C ATOM 0 H ILE A 2 11.303 3.080 5.120 1.00 0.00 H new ATOM 0 HA ILE A 2 12.734 0.883 4.096 1.00 0.00 H new ATOM 0 HB ILE A 2 13.909 0.839 6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 2 11.687 -1.228 6.163 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.275 -1.365 5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 2 12.782 0.736 8.402 1.00 0.00 H new ATOM 0 HG22 ILE A 2 12.438 2.253 7.536 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.213 0.963 7.594 1.00 0.00 H new ATOM 0 HD11 ILE A 2 13.141 -2.662 7.499 1.00 0.00 H new ATOM 0 HD12 ILE A 2 14.315 -1.336 7.669 1.00 0.00 H new ATOM 0 HD13 ILE A 2 12.702 -1.197 8.408 1.00 0.00 H new ATOM 46 N PRO A 3 9.649 1.138 5.337 1.00 0.00 N ATOM 47 CA PRO A 3 8.286 0.560 5.208 1.00 0.00 C ATOM 48 C PRO A 3 7.848 0.202 3.782 1.00 0.00 C ATOM 49 O PRO A 3 7.030 -0.691 3.598 1.00 0.00 O ATOM 50 CB PRO A 3 7.384 1.657 5.762 1.00 0.00 C ATOM 51 CG PRO A 3 8.238 2.367 6.746 1.00 0.00 C ATOM 52 CD PRO A 3 9.616 2.379 6.140 1.00 0.00 C ATOM 0 HA PRO A 3 8.242 -0.395 5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.042 2.328 4.974 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.494 1.241 6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.877 3.380 6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.236 1.857 7.709 1.00 0.00 H new ATOM 0 HD2 PRO A 3 9.775 3.262 5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.392 2.383 6.906 1.00 0.00 H new ATOM 60 N VAL A 4 8.377 0.881 2.779 1.00 0.00 N ATOM 61 CA VAL A 4 8.003 0.581 1.397 1.00 0.00 C ATOM 62 C VAL A 4 9.240 0.160 0.616 1.00 0.00 C ATOM 63 O VAL A 4 10.327 0.691 0.843 1.00 0.00 O ATOM 64 CB VAL A 4 7.300 1.782 0.704 1.00 0.00 C ATOM 65 CG1 VAL A 4 6.905 1.419 -0.716 1.00 0.00 C ATOM 66 CG2 VAL A 4 6.068 2.228 1.487 1.00 0.00 C ATOM 0 H VAL A 4 9.057 1.634 2.886 1.00 0.00 H new ATOM 0 HA VAL A 4 7.284 -0.238 1.413 1.00 0.00 H new ATOM 0 HB VAL A 4 8.008 2.610 0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.414 2.271 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.796 1.154 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.221 0.571 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.598 3.069 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.360 1.402 1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.365 2.532 2.491 1.00 0.00 H new ATOM 76 N LYS A 5 9.088 -0.814 -0.279 1.00 0.00 N ATOM 77 CA LYS A 5 10.227 -1.308 -1.048 1.00 0.00 C ATOM 78 C LYS A 5 9.980 -1.319 -2.555 1.00 0.00 C ATOM 79 O LYS A 5 10.488 -0.474 -3.285 1.00 0.00 O ATOM 80 CB LYS A 5 10.588 -2.729 -0.601 1.00 0.00 C ATOM 81 CG LYS A 5 11.882 -2.835 0.194 1.00 0.00 C ATOM 82 CD LYS A 5 13.090 -2.372 -0.611 1.00 0.00 C ATOM 83 CE LYS A 5 14.362 -2.379 0.235 1.00 0.00 C ATOM 84 NZ LYS A 5 14.176 -1.674 1.536 1.00 0.00 N ATOM 0 H LYS A 5 8.200 -1.271 -0.488 1.00 0.00 H new ATOM 0 HA LYS A 5 11.046 -0.616 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.772 -3.123 0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.666 -3.364 -1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.800 -2.235 1.101 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.031 -3.868 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.223 -3.022 -1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.911 -1.367 -0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.667 -3.409 0.422 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.170 -1.904 -0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.104 -1.494 1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.688 -0.770 1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.606 -2.266 2.173 1.00 0.00 H new ATOM 98 N TYR A 6 9.248 -2.325 -3.021 1.00 0.00 N ATOM 99 CA TYR A 6 8.991 -2.492 -4.448 1.00 0.00 C ATOM 100 C TYR A 6 7.685 -1.826 -4.865 1.00 0.00 C ATOM 101 O TYR A 6 6.770 -1.685 -4.060 1.00 0.00 O ATOM 102 CB TYR A 6 8.967 -3.989 -4.785 1.00 0.00 C ATOM 103 CG TYR A 6 10.205 -4.736 -4.294 1.00 0.00 C ATOM 104 CD1 TYR A 6 11.406 -4.065 -4.075 1.00 0.00 C ATOM 105 CD2 TYR A 6 10.176 -6.107 -4.052 1.00 0.00 C ATOM 106 CE1 TYR A 6 12.529 -4.731 -3.631 1.00 0.00 C ATOM 107 CE2 TYR A 6 11.298 -6.778 -3.606 1.00 0.00 C ATOM 108 CZ TYR A 6 12.471 -6.086 -3.396 1.00 0.00 C ATOM 109 OH TYR A 6 13.587 -6.755 -2.949 1.00 0.00 O ATOM 0 H TYR A 6 8.821 -3.039 -2.431 1.00 0.00 H new ATOM 0 HA TYR A 6 9.791 -2.005 -5.005 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.079 -4.440 -4.342 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.882 -4.110 -5.865 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.459 -3.002 -4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.260 -6.655 -4.216 1.00 0.00 H new ATOM 0 HE1 TYR A 6 13.450 -4.192 -3.468 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.256 -7.841 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 6 13.374 -7.705 -2.833 1.00 0.00 H new ATOM 119 N GLY A 7 7.621 -1.409 -6.126 1.00 0.00 N ATOM 120 CA GLY A 7 6.446 -0.744 -6.661 1.00 0.00 C ATOM 121 C GLY A 7 6.809 0.587 -7.271 1.00 0.00 C ATOM 122 O GLY A 7 7.956 0.790 -7.679 1.00 0.00 O ATOM 0 H GLY A 7 8.379 -1.523 -6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.977 -1.377 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.714 -0.597 -5.867 1.00 0.00 H new ATOM 126 N ASN A 8 5.855 1.503 -7.340 1.00 0.00 N ATOM 127 CA ASN A 8 6.130 2.817 -7.920 1.00 0.00 C ATOM 128 C ASN A 8 6.108 3.928 -6.869 1.00 0.00 C ATOM 129 O ASN A 8 6.279 5.105 -7.192 1.00 0.00 O ATOM 130 CB ASN A 8 5.177 3.130 -9.083 1.00 0.00 C ATOM 131 CG ASN A 8 3.741 3.371 -8.659 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.274 2.833 -7.653 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.016 4.153 -9.452 1.00 0.00 N ATOM 0 H ASN A 8 4.899 1.369 -7.010 1.00 0.00 H new ATOM 0 HA ASN A 8 7.143 2.778 -8.322 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.542 4.012 -9.610 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.201 2.302 -9.791 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.034 4.327 -9.237 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.441 4.579 -10.275 1.00 0.00 H new ATOM 140 N ALA A 9 5.932 3.549 -5.606 1.00 0.00 N ATOM 141 CA ALA A 9 5.935 4.508 -4.509 1.00 0.00 C ATOM 142 C ALA A 9 7.353 4.679 -3.981 1.00 0.00 C ATOM 143 O ALA A 9 7.616 5.554 -3.152 1.00 0.00 O ATOM 144 CB ALA A 9 5.034 4.043 -3.381 1.00 0.00 C ATOM 0 H ALA A 9 5.785 2.582 -5.318 1.00 0.00 H new ATOM 0 HA ALA A 9 5.561 5.460 -4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.053 4.776 -2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.014 3.937 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.386 3.082 -3.007 1.00 0.00 H new ATOM 150 N ASP A 10 8.245 3.808 -4.466 1.00 0.00 N ATOM 151 CA ASP A 10 9.656 3.788 -4.075 1.00 0.00 C ATOM 152 C ASP A 10 9.801 3.347 -2.623 1.00 0.00 C ATOM 153 O ASP A 10 10.079 2.184 -2.350 1.00 0.00 O ATOM 154 CB ASP A 10 10.313 5.154 -4.305 1.00 0.00 C ATOM 155 CG ASP A 10 11.817 5.086 -4.216 1.00 0.00 C ATOM 156 OD1 ASP A 10 12.349 5.000 -3.094 1.00 0.00 O ATOM 157 OD2 ASP A 10 12.469 5.086 -5.277 1.00 0.00 O ATOM 0 H ASP A 10 8.003 3.090 -5.149 1.00 0.00 H new ATOM 0 HA ASP A 10 10.173 3.064 -4.705 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.026 5.533 -5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.939 5.864 -3.567 1.00 0.00 H new ATOM 162 N GLY A 11 9.590 4.269 -1.697 1.00 0.00 N ATOM 163 CA GLY A 11 9.686 3.926 -0.295 1.00 0.00 C ATOM 164 C GLY A 11 9.359 5.074 0.638 1.00 0.00 C ATOM 165 O GLY A 11 9.909 5.142 1.732 1.00 0.00 O ATOM 0 H GLY A 11 9.355 5.243 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.011 3.096 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.696 3.575 -0.084 1.00 0.00 H new ATOM 169 N GLU A 12 8.471 5.977 0.221 1.00 0.00 N ATOM 170 CA GLU A 12 8.103 7.132 1.050 1.00 0.00 C ATOM 171 C GLU A 12 7.113 6.766 2.166 1.00 0.00 C ATOM 172 O GLU A 12 6.147 7.495 2.396 1.00 0.00 O ATOM 173 CB GLU A 12 7.502 8.247 0.185 1.00 0.00 C ATOM 174 CG GLU A 12 8.424 8.795 -0.900 1.00 0.00 C ATOM 175 CD GLU A 12 9.716 9.358 -0.352 1.00 0.00 C ATOM 176 OE1 GLU A 12 10.552 8.576 0.134 1.00 0.00 O ATOM 177 OE2 GLU A 12 9.889 10.592 -0.400 1.00 0.00 O ATOM 0 H GLU A 12 7.994 5.934 -0.680 1.00 0.00 H new ATOM 0 HA GLU A 12 9.022 7.481 1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.595 7.870 -0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.204 9.069 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.653 8.000 -1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.901 9.575 -1.453 1.00 0.00 H new ATOM 184 N TYR A 13 7.374 5.654 2.867 1.00 0.00 N ATOM 185 CA TYR A 13 6.529 5.189 3.981 1.00 0.00 C ATOM 186 C TYR A 13 5.094 4.864 3.557 1.00 0.00 C ATOM 187 O TYR A 13 4.632 5.260 2.489 1.00 0.00 O ATOM 188 CB TYR A 13 6.503 6.223 5.107 1.00 0.00 C ATOM 189 CG TYR A 13 7.545 5.987 6.172 1.00 0.00 C ATOM 190 CD1 TYR A 13 8.899 6.026 5.872 1.00 0.00 C ATOM 191 CD2 TYR A 13 7.172 5.717 7.480 1.00 0.00 C ATOM 192 CE1 TYR A 13 9.854 5.806 6.847 1.00 0.00 C ATOM 193 CE2 TYR A 13 8.119 5.494 8.462 1.00 0.00 C ATOM 194 CZ TYR A 13 9.460 5.541 8.141 1.00 0.00 C ATOM 195 OH TYR A 13 10.412 5.319 9.112 1.00 0.00 O ATOM 0 H TYR A 13 8.175 5.051 2.680 1.00 0.00 H new ATOM 0 HA TYR A 13 6.982 4.262 4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.651 7.215 4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.516 6.218 5.570 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.212 6.232 4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.123 5.680 7.736 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.904 5.842 6.596 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.811 5.284 9.476 1.00 0.00 H new ATOM 0 HH TYR A 13 9.970 5.148 9.970 1.00 0.00 H new ATOM 205 N CYS A 14 4.384 4.153 4.428 1.00 0.00 N ATOM 206 CA CYS A 14 3.000 3.789 4.180 1.00 0.00 C ATOM 207 C CYS A 14 2.086 4.860 4.750 1.00 0.00 C ATOM 208 O CYS A 14 2.352 5.400 5.823 1.00 0.00 O ATOM 209 CB CYS A 14 2.661 2.440 4.821 1.00 0.00 C ATOM 210 SG CYS A 14 3.475 1.002 4.052 1.00 0.00 S ATOM 0 H CYS A 14 4.752 3.817 5.318 1.00 0.00 H new ATOM 0 HA CYS A 14 2.855 3.705 3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.937 2.475 5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.582 2.294 4.778 1.00 0.00 H new ATOM 215 N LYS A 15 1.007 5.165 4.045 1.00 0.00 N ATOM 216 CA LYS A 15 0.073 6.172 4.522 1.00 0.00 C ATOM 217 C LYS A 15 -1.053 5.501 5.292 1.00 0.00 C ATOM 218 O LYS A 15 -1.910 4.839 4.711 1.00 0.00 O ATOM 219 CB LYS A 15 -0.479 7.000 3.358 1.00 0.00 C ATOM 220 CG LYS A 15 -1.099 8.319 3.799 1.00 0.00 C ATOM 221 CD LYS A 15 -0.117 9.133 4.632 1.00 0.00 C ATOM 222 CE LYS A 15 -0.764 10.376 5.229 1.00 0.00 C ATOM 223 NZ LYS A 15 -1.173 11.360 4.192 1.00 0.00 N ATOM 0 H LYS A 15 0.759 4.736 3.153 1.00 0.00 H new ATOM 0 HA LYS A 15 0.600 6.853 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.326 7.203 2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.229 6.413 2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.402 8.893 2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.000 8.125 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.280 8.511 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.728 9.428 4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.638 10.083 5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.065 10.849 5.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.607 12.187 4.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.337 11.663 3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.861 10.920 3.548 1.00 0.00 H new ATOM 237 N PHE A 16 -1.028 5.658 6.607 1.00 0.00 N ATOM 238 CA PHE A 16 -2.033 5.052 7.467 1.00 0.00 C ATOM 239 C PHE A 16 -2.871 6.119 8.160 1.00 0.00 C ATOM 240 O PHE A 16 -2.340 6.941 8.903 1.00 0.00 O ATOM 241 CB PHE A 16 -1.365 4.162 8.519 1.00 0.00 C ATOM 242 CG PHE A 16 -0.686 2.937 7.960 1.00 0.00 C ATOM 243 CD1 PHE A 16 -0.998 2.460 6.697 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.258 2.263 8.709 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.379 1.333 6.190 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.884 1.134 8.212 1.00 0.00 C ATOM 247 CZ PHE A 16 0.568 0.662 6.950 1.00 0.00 C ATOM 0 H PHE A 16 -0.321 6.201 7.103 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.687 4.444 6.842 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.629 4.754 9.063 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.118 3.847 9.242 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.735 2.976 6.100 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.511 2.622 9.696 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.632 0.975 5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.621 0.620 8.810 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.054 -0.220 6.561 1.00 0.00 H new ATOM 257 N PRO A 17 -4.191 6.119 7.935 1.00 0.00 N ATOM 258 CA PRO A 17 -4.861 5.159 7.060 1.00 0.00 C ATOM 259 C PRO A 17 -4.940 5.640 5.615 1.00 0.00 C ATOM 260 O PRO A 17 -4.862 6.843 5.349 1.00 0.00 O ATOM 261 CB PRO A 17 -6.264 5.086 7.659 1.00 0.00 C ATOM 262 CG PRO A 17 -6.505 6.438 8.275 1.00 0.00 C ATOM 263 CD PRO A 17 -5.149 7.071 8.522 1.00 0.00 C ATOM 0 HA PRO A 17 -4.333 4.206 7.015 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.007 4.865 6.893 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.332 4.296 8.407 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.104 7.061 7.611 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.059 6.341 9.208 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.076 8.051 8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.965 7.215 9.587 1.00 0.00 H new ATOM 271 N PHE A 18 -5.117 4.705 4.689 1.00 0.00 N ATOM 272 CA PHE A 18 -5.235 5.054 3.278 1.00 0.00 C ATOM 273 C PHE A 18 -6.585 4.588 2.743 1.00 0.00 C ATOM 274 O PHE A 18 -7.265 3.779 3.380 1.00 0.00 O ATOM 275 CB PHE A 18 -4.069 4.482 2.457 1.00 0.00 C ATOM 276 CG PHE A 18 -4.030 2.981 2.332 1.00 0.00 C ATOM 277 CD1 PHE A 18 -4.782 2.326 1.370 1.00 0.00 C ATOM 278 CD2 PHE A 18 -3.218 2.229 3.165 1.00 0.00 C ATOM 279 CE1 PHE A 18 -4.723 0.953 1.238 1.00 0.00 C ATOM 280 CE2 PHE A 18 -3.158 0.852 3.043 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.910 0.210 2.076 1.00 0.00 C ATOM 0 H PHE A 18 -5.182 3.707 4.887 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.181 6.138 3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.110 4.910 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.134 4.815 2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.423 2.897 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.624 2.724 3.919 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.312 0.458 0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.524 0.279 3.703 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.863 -0.864 1.975 1.00 0.00 H new ATOM 291 N LEU A 19 -6.983 5.118 1.595 1.00 0.00 N ATOM 292 CA LEU A 19 -8.267 4.777 0.998 1.00 0.00 C ATOM 293 C LEU A 19 -8.104 3.851 -0.204 1.00 0.00 C ATOM 294 O LEU A 19 -7.360 4.153 -1.143 1.00 0.00 O ATOM 295 CB LEU A 19 -8.991 6.055 0.572 1.00 0.00 C ATOM 296 CG LEU A 19 -10.430 5.857 0.110 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.307 5.419 1.271 1.00 0.00 C ATOM 298 CD2 LEU A 19 -10.969 7.133 -0.513 1.00 0.00 C ATOM 0 H LEU A 19 -6.433 5.788 1.057 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.855 4.248 1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.987 6.753 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.427 6.522 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.444 5.072 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.331 5.283 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.933 4.478 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.287 6.182 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.997 6.973 -0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.941 7.937 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.356 7.406 -1.372 1.00 0.00 H new ATOM 310 N PHE A 20 -8.814 2.728 -0.172 1.00 0.00 N ATOM 311 CA PHE A 20 -8.776 1.749 -1.252 1.00 0.00 C ATOM 312 C PHE A 20 -10.191 1.321 -1.612 1.00 0.00 C ATOM 313 O PHE A 20 -10.818 0.557 -0.870 1.00 0.00 O ATOM 314 CB PHE A 20 -7.995 0.519 -0.822 1.00 0.00 C ATOM 315 CG PHE A 20 -7.642 -0.408 -1.942 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.123 0.055 -3.141 1.00 0.00 C ATOM 317 CD2 PHE A 20 -7.825 -1.762 -1.772 1.00 0.00 C ATOM 318 CE1 PHE A 20 -6.798 -0.837 -4.147 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.505 -2.653 -2.768 1.00 0.00 C ATOM 320 CZ PHE A 20 -6.990 -2.190 -3.958 1.00 0.00 C ATOM 0 H PHE A 20 -9.429 2.472 0.600 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.292 2.208 -2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.078 0.840 -0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.580 -0.029 -0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.972 1.114 -3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.227 -2.130 -0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.394 -0.474 -5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.657 -3.712 -2.618 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.736 -2.886 -4.744 1.00 0.00 H new ATOM 330 N ASN A 21 -10.687 1.810 -2.744 1.00 0.00 N ATOM 331 CA ASN A 21 -12.038 1.478 -3.212 1.00 0.00 C ATOM 332 C ASN A 21 -13.106 1.798 -2.162 1.00 0.00 C ATOM 333 O ASN A 21 -14.136 1.125 -2.087 1.00 0.00 O ATOM 334 CB ASN A 21 -12.127 0.000 -3.603 1.00 0.00 C ATOM 335 CG ASN A 21 -11.356 -0.324 -4.866 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.138 -0.157 -4.930 1.00 0.00 O ATOM 337 ND2 ASN A 21 -12.065 -0.786 -5.882 1.00 0.00 N ATOM 0 H ASN A 21 -10.175 2.441 -3.360 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.231 2.098 -4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.746 -0.611 -2.784 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.173 -0.271 -3.743 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.604 -1.019 -6.762 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.073 -0.909 -5.786 1.00 0.00 H new ATOM 344 N GLY A 22 -12.862 2.830 -1.356 1.00 0.00 N ATOM 345 CA GLY A 22 -13.826 3.217 -0.336 1.00 0.00 C ATOM 346 C GLY A 22 -13.581 2.572 1.018 1.00 0.00 C ATOM 347 O GLY A 22 -14.391 2.721 1.935 1.00 0.00 O ATOM 0 H GLY A 22 -12.019 3.403 -1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.803 4.301 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.827 2.954 -0.677 1.00 0.00 H new ATOM 351 N LYS A 23 -12.472 1.858 1.155 1.00 0.00 N ATOM 352 CA LYS A 23 -12.145 1.201 2.413 1.00 0.00 C ATOM 353 C LYS A 23 -10.842 1.754 2.978 1.00 0.00 C ATOM 354 O LYS A 23 -9.864 1.911 2.250 1.00 0.00 O ATOM 355 CB LYS A 23 -12.034 -0.314 2.202 1.00 0.00 C ATOM 356 CG LYS A 23 -11.819 -1.112 3.480 1.00 0.00 C ATOM 357 CD LYS A 23 -11.816 -2.604 3.199 1.00 0.00 C ATOM 358 CE LYS A 23 -11.603 -3.427 4.463 1.00 0.00 C ATOM 359 NZ LYS A 23 -11.676 -4.886 4.177 1.00 0.00 N ATOM 0 H LYS A 23 -11.786 1.719 0.413 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.943 1.398 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.943 -0.668 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.208 -0.514 1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.873 -0.823 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.605 -0.875 4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.762 -2.887 2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.030 -2.835 2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.632 -3.187 4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.357 -3.161 5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.527 -5.420 5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.612 -5.117 3.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.940 -5.142 3.488 1.00 0.00 H new ATOM 373 N GLU A 24 -10.835 2.044 4.272 1.00 0.00 N ATOM 374 CA GLU A 24 -9.649 2.578 4.929 1.00 0.00 C ATOM 375 C GLU A 24 -8.844 1.460 5.580 1.00 0.00 C ATOM 376 O GLU A 24 -9.407 0.569 6.223 1.00 0.00 O ATOM 377 CB GLU A 24 -10.038 3.613 5.984 1.00 0.00 C ATOM 378 CG GLU A 24 -10.754 4.822 5.418 1.00 0.00 C ATOM 379 CD GLU A 24 -11.138 5.813 6.490 1.00 0.00 C ATOM 380 OE1 GLU A 24 -10.236 6.305 7.192 1.00 0.00 O ATOM 381 OE2 GLU A 24 -12.344 6.093 6.633 1.00 0.00 O ATOM 0 H GLU A 24 -11.638 1.918 4.888 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.034 3.060 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.678 3.138 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.139 3.945 6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.112 5.312 4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.650 4.497 4.889 1.00 0.00 H new ATOM 388 N TYR A 25 -7.530 1.512 5.410 1.00 0.00 N ATOM 389 CA TYR A 25 -6.644 0.503 5.980 1.00 0.00 C ATOM 390 C TYR A 25 -5.664 1.127 6.958 1.00 0.00 C ATOM 391 O TYR A 25 -5.008 2.122 6.650 1.00 0.00 O ATOM 392 CB TYR A 25 -5.883 -0.234 4.882 1.00 0.00 C ATOM 393 CG TYR A 25 -6.776 -1.033 3.967 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.458 -0.419 2.930 1.00 0.00 C ATOM 395 CD2 TYR A 25 -6.943 -2.397 4.150 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.279 -1.141 2.089 1.00 0.00 C ATOM 397 CE2 TYR A 25 -7.765 -3.130 3.312 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.427 -2.496 2.283 1.00 0.00 C ATOM 399 OH TYR A 25 -9.242 -3.214 1.439 1.00 0.00 O ATOM 0 H TYR A 25 -7.052 2.242 4.882 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.264 -0.213 6.519 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.323 0.490 4.290 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.154 -0.902 5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.345 0.644 2.777 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.425 -2.894 4.957 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.802 -0.647 1.284 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.887 -4.192 3.464 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.810 -2.598 0.931 1.00 0.00 H new ATOM 409 N ASN A 26 -5.558 0.529 8.134 1.00 0.00 N ATOM 410 CA ASN A 26 -4.642 1.016 9.161 1.00 0.00 C ATOM 411 C ASN A 26 -3.342 0.233 9.105 1.00 0.00 C ATOM 412 O ASN A 26 -2.390 0.525 9.825 1.00 0.00 O ATOM 413 CB ASN A 26 -5.260 0.897 10.557 1.00 0.00 C ATOM 414 CG ASN A 26 -6.452 1.815 10.765 1.00 0.00 C ATOM 415 OD1 ASN A 26 -7.049 1.832 11.839 1.00 0.00 O ATOM 416 ND2 ASN A 26 -6.808 2.587 9.744 1.00 0.00 N ATOM 0 H ASN A 26 -6.094 -0.296 8.404 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.443 2.070 8.966 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.571 -0.134 10.723 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.500 1.125 11.304 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.601 3.221 9.837 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.288 2.545 8.867 1.00 0.00 H new ATOM 423 N SER A 27 -3.319 -0.757 8.227 1.00 0.00 N ATOM 424 CA SER A 27 -2.154 -1.600 8.028 1.00 0.00 C ATOM 425 C SER A 27 -2.064 -2.006 6.563 1.00 0.00 C ATOM 426 O SER A 27 -2.851 -1.539 5.737 1.00 0.00 O ATOM 427 CB SER A 27 -2.226 -2.833 8.931 1.00 0.00 C ATOM 428 OG SER A 27 -3.523 -3.416 8.911 1.00 0.00 O ATOM 0 H SER A 27 -4.111 -0.998 7.631 1.00 0.00 H new ATOM 0 HA SER A 27 -1.257 -1.042 8.294 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.490 -3.568 8.605 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.967 -2.554 9.952 1.00 0.00 H new ATOM 0 HG SER A 27 -3.537 -4.202 9.496 1.00 0.00 H new ATOM 434 N CYS A 28 -1.117 -2.866 6.228 1.00 0.00 N ATOM 435 CA CYS A 28 -0.972 -3.307 4.849 1.00 0.00 C ATOM 436 C CYS A 28 -2.004 -4.371 4.517 1.00 0.00 C ATOM 437 O CYS A 28 -2.471 -5.095 5.399 1.00 0.00 O ATOM 438 CB CYS A 28 0.430 -3.844 4.594 1.00 0.00 C ATOM 439 SG CYS A 28 1.744 -2.610 4.849 1.00 0.00 S ATOM 0 H CYS A 28 -0.445 -3.269 6.881 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.135 -2.444 4.203 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.609 -4.694 5.252 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.487 -4.216 3.571 1.00 0.00 H new ATOM 444 N THR A 29 -2.374 -4.456 3.250 1.00 0.00 N ATOM 445 CA THR A 29 -3.360 -5.421 2.820 1.00 0.00 C ATOM 446 C THR A 29 -2.942 -6.067 1.508 1.00 0.00 C ATOM 447 O THR A 29 -2.124 -5.517 0.774 1.00 0.00 O ATOM 448 CB THR A 29 -4.720 -4.732 2.671 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.732 -5.671 2.362 1.00 0.00 O ATOM 450 CG2 THR A 29 -4.760 -3.656 1.596 1.00 0.00 C ATOM 0 H THR A 29 -2.004 -3.866 2.505 1.00 0.00 H new ATOM 0 HA THR A 29 -3.439 -6.207 3.571 1.00 0.00 H new ATOM 0 HB THR A 29 -4.891 -4.258 3.637 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.491 -5.546 2.970 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.758 -3.219 1.556 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.033 -2.879 1.832 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.518 -4.098 0.629 1.00 0.00 H new ATOM 458 N ASP A 30 -3.516 -7.225 1.209 1.00 0.00 N ATOM 459 CA ASP A 30 -3.213 -7.919 -0.032 1.00 0.00 C ATOM 460 C ASP A 30 -4.403 -7.806 -0.965 1.00 0.00 C ATOM 461 O ASP A 30 -4.458 -8.460 -2.005 1.00 0.00 O ATOM 462 CB ASP A 30 -2.862 -9.383 0.193 1.00 0.00 C ATOM 463 CG ASP A 30 -2.590 -9.727 1.636 1.00 0.00 C ATOM 464 OD1 ASP A 30 -3.557 -9.797 2.424 1.00 0.00 O ATOM 465 OD2 ASP A 30 -1.415 -9.912 1.994 1.00 0.00 O ATOM 0 H ASP A 30 -4.191 -7.701 1.807 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.336 -7.448 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.681 -10.004 -0.171 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.984 -9.632 -0.402 1.00 0.00 H new ATOM 470 N THR A 31 -5.356 -6.961 -0.574 1.00 0.00 N ATOM 471 CA THR A 31 -6.562 -6.730 -1.355 1.00 0.00 C ATOM 472 C THR A 31 -6.186 -6.214 -2.736 1.00 0.00 C ATOM 473 O THR A 31 -5.297 -5.371 -2.873 1.00 0.00 O ATOM 474 CB THR A 31 -7.458 -5.717 -0.637 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.730 -6.133 0.693 1.00 0.00 O ATOM 476 CG2 THR A 31 -8.790 -5.482 -1.316 1.00 0.00 C ATOM 0 H THR A 31 -5.311 -6.421 0.290 1.00 0.00 H new ATOM 0 HA THR A 31 -7.108 -7.667 -1.464 1.00 0.00 H new ATOM 0 HB THR A 31 -6.891 -4.786 -0.659 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.982 -5.881 1.274 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.365 -4.752 -0.746 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.623 -5.104 -2.325 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.343 -6.420 -1.367 1.00 0.00 H new ATOM 484 N GLY A 32 -6.839 -6.741 -3.760 1.00 0.00 N ATOM 485 CA GLY A 32 -6.533 -6.337 -5.111 1.00 0.00 C ATOM 486 C GLY A 32 -5.432 -7.196 -5.707 1.00 0.00 C ATOM 487 O GLY A 32 -5.475 -7.556 -6.886 1.00 0.00 O ATOM 0 H GLY A 32 -7.576 -7.442 -3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.429 -6.411 -5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.226 -5.291 -5.120 1.00 0.00 H new ATOM 491 N ARG A 33 -4.457 -7.535 -4.872 1.00 0.00 N ATOM 492 CA ARG A 33 -3.331 -8.365 -5.270 1.00 0.00 C ATOM 493 C ARG A 33 -3.693 -9.845 -5.187 1.00 0.00 C ATOM 494 O ARG A 33 -3.887 -10.381 -4.098 1.00 0.00 O ATOM 495 CB ARG A 33 -2.136 -8.107 -4.340 1.00 0.00 C ATOM 496 CG ARG A 33 -1.694 -6.651 -4.262 1.00 0.00 C ATOM 497 CD ARG A 33 -1.119 -6.146 -5.577 1.00 0.00 C ATOM 498 NE ARG A 33 0.062 -6.897 -6.002 1.00 0.00 N ATOM 499 CZ ARG A 33 0.891 -6.476 -6.957 1.00 0.00 C ATOM 500 NH1 ARG A 33 0.715 -5.278 -7.505 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.889 -7.247 -7.368 1.00 0.00 N ATOM 0 H ARG A 33 -4.427 -7.240 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.074 -8.110 -6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.393 -8.449 -3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.293 -8.711 -4.677 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.545 -6.031 -3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.946 -6.543 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.883 -6.210 -6.351 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.857 -5.093 -5.474 1.00 0.00 H new ATOM 0 HE ARG A 33 0.261 -7.787 -5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.053 -4.683 -7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.348 -4.954 -8.236 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.026 -8.169 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.520 -6.918 -8.099 1.00 0.00 H new ATOM 515 N SER A 34 -3.754 -10.513 -6.328 1.00 0.00 N ATOM 516 CA SER A 34 -4.064 -11.935 -6.346 1.00 0.00 C ATOM 517 C SER A 34 -2.822 -12.747 -5.984 1.00 0.00 C ATOM 518 O SER A 34 -2.876 -13.971 -5.877 1.00 0.00 O ATOM 519 CB SER A 34 -4.581 -12.352 -7.722 1.00 0.00 C ATOM 520 OG SER A 34 -5.777 -11.661 -8.053 1.00 0.00 O ATOM 0 H SER A 34 -3.595 -10.099 -7.246 1.00 0.00 H new ATOM 0 HA SER A 34 -4.843 -12.130 -5.609 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.820 -12.149 -8.476 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.764 -13.427 -7.734 1.00 0.00 H new ATOM 0 HG SER A 34 -6.085 -11.946 -8.939 1.00 0.00 H new ATOM 526 N ASP A 35 -1.701 -12.049 -5.813 1.00 0.00 N ATOM 527 CA ASP A 35 -0.438 -12.678 -5.484 1.00 0.00 C ATOM 528 C ASP A 35 -0.225 -12.801 -3.985 1.00 0.00 C ATOM 529 O ASP A 35 0.797 -13.328 -3.540 1.00 0.00 O ATOM 530 CB ASP A 35 0.698 -11.882 -6.091 1.00 0.00 C ATOM 531 CG ASP A 35 0.678 -11.865 -7.601 1.00 0.00 C ATOM 532 OD1 ASP A 35 -0.153 -12.574 -8.194 1.00 0.00 O ATOM 533 OD2 ASP A 35 1.494 -11.135 -8.193 1.00 0.00 O ATOM 0 H ASP A 35 -1.650 -11.034 -5.900 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.460 -13.687 -5.896 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.651 -10.857 -5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.646 -12.299 -5.752 1.00 0.00 H new ATOM 538 N GLY A 36 -1.184 -12.316 -3.222 1.00 0.00 N ATOM 539 CA GLY A 36 -1.090 -12.377 -1.772 1.00 0.00 C ATOM 540 C GLY A 36 0.051 -11.544 -1.218 1.00 0.00 C ATOM 541 O GLY A 36 0.735 -11.963 -0.283 1.00 0.00 O ATOM 0 H GLY A 36 -2.034 -11.877 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.029 -12.033 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.958 -13.414 -1.465 1.00 0.00 H new ATOM 545 N PHE A 37 0.263 -10.361 -1.786 1.00 0.00 N ATOM 546 CA PHE A 37 1.327 -9.486 -1.318 1.00 0.00 C ATOM 547 C PHE A 37 0.746 -8.260 -0.634 1.00 0.00 C ATOM 548 O PHE A 37 -0.151 -7.611 -1.170 1.00 0.00 O ATOM 549 CB PHE A 37 2.237 -9.062 -2.478 1.00 0.00 C ATOM 550 CG PHE A 37 3.215 -10.118 -2.902 1.00 0.00 C ATOM 551 CD1 PHE A 37 4.154 -10.604 -2.009 1.00 0.00 C ATOM 552 CD2 PHE A 37 3.197 -10.628 -4.191 1.00 0.00 C ATOM 553 CE1 PHE A 37 5.057 -11.576 -2.388 1.00 0.00 C ATOM 554 CE2 PHE A 37 4.102 -11.602 -4.576 1.00 0.00 C ATOM 555 CZ PHE A 37 5.031 -12.076 -3.675 1.00 0.00 C ATOM 0 H PHE A 37 -0.283 -9.991 -2.564 1.00 0.00 H new ATOM 0 HA PHE A 37 1.926 -10.041 -0.596 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.617 -8.791 -3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.787 -8.167 -2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.180 -10.217 -1.001 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.470 -10.262 -4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.783 -11.945 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.080 -11.991 -5.583 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.737 -12.837 -3.975 1.00 0.00 H new ATOM 565 N LEU A 38 1.264 -7.956 0.548 1.00 0.00 N ATOM 566 CA LEU A 38 0.813 -6.818 1.317 1.00 0.00 C ATOM 567 C LEU A 38 1.414 -5.535 0.767 1.00 0.00 C ATOM 568 O LEU A 38 2.613 -5.463 0.481 1.00 0.00 O ATOM 569 CB LEU A 38 1.192 -7.006 2.788 1.00 0.00 C ATOM 570 CG LEU A 38 2.686 -7.211 3.086 1.00 0.00 C ATOM 571 CD1 LEU A 38 2.995 -6.824 4.518 1.00 0.00 C ATOM 572 CD2 LEU A 38 3.090 -8.657 2.860 1.00 0.00 C ATOM 0 H LEU A 38 2.007 -8.494 0.995 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.272 -6.743 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.849 -6.133 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.645 -7.866 3.175 1.00 0.00 H new ATOM 0 HG LEU A 38 3.253 -6.575 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.057 -6.974 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.742 -5.775 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.409 -7.444 5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.151 -8.776 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.510 -9.304 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.899 -8.930 1.822 1.00 0.00 H new ATOM 584 N TRP A 39 0.573 -4.530 0.603 1.00 0.00 N ATOM 585 CA TRP A 39 1.016 -3.254 0.069 1.00 0.00 C ATOM 586 C TRP A 39 0.346 -2.090 0.795 1.00 0.00 C ATOM 587 O TRP A 39 -0.548 -2.285 1.623 1.00 0.00 O ATOM 588 CB TRP A 39 0.711 -3.168 -1.435 1.00 0.00 C ATOM 589 CG TRP A 39 -0.756 -3.223 -1.751 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.533 -4.340 -1.867 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.633 -2.107 -1.963 1.00 0.00 C ATOM 592 NE1 TRP A 39 -2.828 -3.987 -2.145 1.00 0.00 N ATOM 593 CE2 TRP A 39 -2.913 -2.622 -2.208 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.457 -0.720 -1.971 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -4.009 -1.803 -2.453 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.547 0.090 -2.216 1.00 0.00 C ATOM 597 CH2 TRP A 39 -3.806 -0.456 -2.456 1.00 0.00 C ATOM 0 H TRP A 39 -0.420 -4.572 0.832 1.00 0.00 H new ATOM 0 HA TRP A 39 2.093 -3.185 0.224 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.125 -2.240 -1.830 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.216 -3.986 -1.948 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.179 -5.354 -1.756 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.603 -4.636 -2.283 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.484 -0.289 -1.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.988 -2.220 -2.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.422 1.163 -2.222 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.639 0.203 -2.649 1.00 0.00 H new ATOM 608 N CYS A 40 0.785 -0.882 0.467 1.00 0.00 N ATOM 609 CA CYS A 40 0.247 0.338 1.046 1.00 0.00 C ATOM 610 C CYS A 40 0.456 1.476 0.053 1.00 0.00 C ATOM 611 O CYS A 40 1.394 1.433 -0.747 1.00 0.00 O ATOM 612 CB CYS A 40 0.959 0.654 2.359 1.00 0.00 C ATOM 613 SG CYS A 40 2.744 0.980 2.160 1.00 0.00 S ATOM 0 H CYS A 40 1.529 -0.722 -0.212 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.816 0.213 1.253 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.488 1.523 2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.825 -0.182 3.046 1.00 0.00 H new ATOM 618 N SER A 41 -0.393 2.490 0.084 1.00 0.00 N ATOM 619 CA SER A 41 -0.233 3.604 -0.836 1.00 0.00 C ATOM 620 C SER A 41 0.521 4.739 -0.152 1.00 0.00 C ATOM 621 O SER A 41 0.493 4.856 1.076 1.00 0.00 O ATOM 622 CB SER A 41 -1.593 4.092 -1.343 1.00 0.00 C ATOM 623 OG SER A 41 -2.473 4.379 -0.271 1.00 0.00 O ATOM 0 H SER A 41 -1.185 2.566 0.722 1.00 0.00 H new ATOM 0 HA SER A 41 0.344 3.264 -1.696 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.456 4.985 -1.952 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.037 3.332 -1.986 1.00 0.00 H new ATOM 0 HG SER A 41 -2.463 5.342 -0.089 1.00 0.00 H new ATOM 629 N THR A 42 1.196 5.569 -0.936 1.00 0.00 N ATOM 630 CA THR A 42 1.946 6.684 -0.395 1.00 0.00 C ATOM 631 C THR A 42 1.024 7.879 -0.192 1.00 0.00 C ATOM 632 O THR A 42 1.290 8.767 0.623 1.00 0.00 O ATOM 633 CB THR A 42 3.068 7.045 -1.360 1.00 0.00 C ATOM 634 OG1 THR A 42 3.012 6.221 -2.510 1.00 0.00 O ATOM 635 CG2 THR A 42 4.448 6.906 -0.762 1.00 0.00 C ATOM 0 H THR A 42 1.237 5.487 -1.952 1.00 0.00 H new ATOM 0 HA THR A 42 2.372 6.406 0.569 1.00 0.00 H new ATOM 0 HB THR A 42 2.910 8.094 -1.610 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.791 6.398 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.196 7.180 -1.506 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.538 7.564 0.102 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.607 5.874 -0.450 1.00 0.00 H new ATOM 643 N THR A 43 -0.064 7.880 -0.945 1.00 0.00 N ATOM 644 CA THR A 43 -1.053 8.934 -0.872 1.00 0.00 C ATOM 645 C THR A 43 -2.286 8.421 -0.136 1.00 0.00 C ATOM 646 O THR A 43 -2.347 7.241 0.227 1.00 0.00 O ATOM 647 CB THR A 43 -1.414 9.386 -2.288 1.00 0.00 C ATOM 648 OG1 THR A 43 -1.917 8.296 -3.042 1.00 0.00 O ATOM 649 CG2 THR A 43 -0.236 9.958 -3.052 1.00 0.00 C ATOM 0 H THR A 43 -0.283 7.149 -1.622 1.00 0.00 H new ATOM 0 HA THR A 43 -0.652 9.787 -0.325 1.00 0.00 H new ATOM 0 HB THR A 43 -2.163 10.168 -2.163 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.831 8.495 -3.335 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.560 10.259 -4.048 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.156 10.825 -2.520 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.544 9.202 -3.138 1.00 0.00 H new ATOM 657 N TYR A 44 -3.263 9.289 0.085 1.00 0.00 N ATOM 658 CA TYR A 44 -4.476 8.880 0.775 1.00 0.00 C ATOM 659 C TYR A 44 -5.380 8.110 -0.179 1.00 0.00 C ATOM 660 O TYR A 44 -5.756 6.977 0.095 1.00 0.00 O ATOM 661 CB TYR A 44 -5.205 10.093 1.368 1.00 0.00 C ATOM 662 CG TYR A 44 -6.296 9.727 2.362 1.00 0.00 C ATOM 663 CD1 TYR A 44 -7.531 9.245 1.939 1.00 0.00 C ATOM 664 CD2 TYR A 44 -6.083 9.852 3.732 1.00 0.00 C ATOM 665 CE1 TYR A 44 -8.514 8.901 2.846 1.00 0.00 C ATOM 666 CE2 TYR A 44 -7.063 9.510 4.642 1.00 0.00 C ATOM 667 CZ TYR A 44 -8.276 9.037 4.194 1.00 0.00 C ATOM 668 OH TYR A 44 -9.252 8.694 5.098 1.00 0.00 O ATOM 0 H TYR A 44 -3.240 10.268 -0.199 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.204 8.224 1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.477 10.737 1.862 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.645 10.673 0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.724 9.138 0.882 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.134 10.223 4.089 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.466 8.527 2.498 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.879 9.613 5.701 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.924 8.849 6.008 1.00 0.00 H new ATOM 678 N ASN A 45 -5.720 8.717 -1.309 1.00 0.00 N ATOM 679 CA ASN A 45 -6.575 8.050 -2.285 1.00 0.00 C ATOM 680 C ASN A 45 -5.712 7.356 -3.336 1.00 0.00 C ATOM 681 O ASN A 45 -5.127 8.006 -4.200 1.00 0.00 O ATOM 682 CB ASN A 45 -7.521 9.062 -2.947 1.00 0.00 C ATOM 683 CG ASN A 45 -8.715 8.462 -3.628 1.00 0.00 C ATOM 684 OD1 ASN A 45 -9.704 9.158 -3.861 1.00 0.00 O ATOM 685 ND2 ASN A 45 -8.653 7.209 -4.002 1.00 0.00 N ATOM 0 H ASN A 45 -5.422 9.657 -1.571 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.181 7.301 -1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.869 9.762 -2.188 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.956 9.640 -3.679 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.436 6.786 -4.500 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.821 6.656 -3.796 1.00 0.00 H new ATOM 692 N PHE A 46 -5.625 6.036 -3.243 1.00 0.00 N ATOM 693 CA PHE A 46 -4.817 5.242 -4.168 1.00 0.00 C ATOM 694 C PHE A 46 -5.370 5.278 -5.596 1.00 0.00 C ATOM 695 O PHE A 46 -4.617 5.170 -6.561 1.00 0.00 O ATOM 696 CB PHE A 46 -4.744 3.793 -3.670 1.00 0.00 C ATOM 697 CG PHE A 46 -3.942 2.879 -4.565 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.617 3.166 -4.868 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.510 1.737 -5.105 1.00 0.00 C ATOM 700 CE1 PHE A 46 -1.886 2.334 -5.690 1.00 0.00 C ATOM 701 CE2 PHE A 46 -3.780 0.901 -5.927 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.467 1.202 -6.221 1.00 0.00 C ATOM 0 H PHE A 46 -6.107 5.486 -2.532 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.818 5.678 -4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.306 3.784 -2.672 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.756 3.399 -3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.154 4.050 -4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.539 1.497 -4.880 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.857 2.570 -5.918 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.237 0.013 -6.339 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.895 0.552 -6.866 1.00 0.00 H new ATOM 712 N GLU A 47 -6.682 5.405 -5.722 1.00 0.00 N ATOM 713 CA GLU A 47 -7.347 5.421 -7.022 1.00 0.00 C ATOM 714 C GLU A 47 -6.808 6.505 -7.962 1.00 0.00 C ATOM 715 O GLU A 47 -6.468 6.229 -9.115 1.00 0.00 O ATOM 716 CB GLU A 47 -8.847 5.632 -6.816 1.00 0.00 C ATOM 717 CG GLU A 47 -9.693 5.397 -8.055 1.00 0.00 C ATOM 718 CD GLU A 47 -11.153 5.686 -7.807 1.00 0.00 C ATOM 719 OE1 GLU A 47 -11.485 6.846 -7.496 1.00 0.00 O ATOM 720 OE2 GLU A 47 -11.966 4.749 -7.901 1.00 0.00 O ATOM 0 H GLU A 47 -7.317 5.500 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.146 4.460 -7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.190 4.964 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.013 6.651 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.331 6.029 -8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.579 4.363 -8.381 1.00 0.00 H new ATOM 727 N LYS A 48 -6.786 7.744 -7.489 1.00 0.00 N ATOM 728 CA LYS A 48 -6.349 8.868 -8.316 1.00 0.00 C ATOM 729 C LYS A 48 -4.833 8.956 -8.487 1.00 0.00 C ATOM 730 O LYS A 48 -4.359 9.405 -9.532 1.00 0.00 O ATOM 731 CB LYS A 48 -6.880 10.197 -7.769 1.00 0.00 C ATOM 732 CG LYS A 48 -6.546 10.456 -6.308 1.00 0.00 C ATOM 733 CD LYS A 48 -6.895 11.883 -5.902 1.00 0.00 C ATOM 734 CE LYS A 48 -5.943 12.900 -6.524 1.00 0.00 C ATOM 735 NZ LYS A 48 -4.556 12.758 -6.003 1.00 0.00 N ATOM 0 H LYS A 48 -7.064 7.999 -6.541 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.771 8.678 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.475 11.011 -8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.963 10.219 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.092 9.753 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.484 10.277 -6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.917 12.108 -6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.861 11.970 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.938 12.776 -7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.305 13.908 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.302 13.605 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.500 11.920 -5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.896 12.650 -6.799 1.00 0.00 H new ATOM 749 N ASP A 49 -4.071 8.574 -7.474 1.00 0.00 N ATOM 750 CA ASP A 49 -2.618 8.672 -7.561 1.00 0.00 C ATOM 751 C ASP A 49 -1.993 7.434 -8.194 1.00 0.00 C ATOM 752 O ASP A 49 -1.274 7.541 -9.188 1.00 0.00 O ATOM 753 CB ASP A 49 -2.015 8.942 -6.181 1.00 0.00 C ATOM 754 CG ASP A 49 -2.455 10.276 -5.627 1.00 0.00 C ATOM 755 OD1 ASP A 49 -3.610 10.383 -5.169 1.00 0.00 O ATOM 756 OD2 ASP A 49 -1.657 11.229 -5.675 1.00 0.00 O ATOM 0 H ASP A 49 -4.425 8.199 -6.594 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.388 9.513 -8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.310 8.148 -5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.927 8.918 -6.249 1.00 0.00 H new ATOM 761 N GLY A 50 -2.271 6.265 -7.639 1.00 0.00 N ATOM 762 CA GLY A 50 -1.725 5.039 -8.195 1.00 0.00 C ATOM 763 C GLY A 50 -0.350 4.686 -7.660 1.00 0.00 C ATOM 764 O GLY A 50 0.286 3.753 -8.154 1.00 0.00 O ATOM 0 H GLY A 50 -2.862 6.140 -6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.410 4.218 -7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.669 5.135 -9.279 1.00 0.00 H new ATOM 768 N LYS A 51 0.114 5.413 -6.648 1.00 0.00 N ATOM 769 CA LYS A 51 1.421 5.137 -6.058 1.00 0.00 C ATOM 770 C LYS A 51 1.289 4.115 -4.937 1.00 0.00 C ATOM 771 O LYS A 51 0.624 4.369 -3.931 1.00 0.00 O ATOM 772 CB LYS A 51 2.073 6.416 -5.511 1.00 0.00 C ATOM 773 CG LYS A 51 2.615 7.355 -6.573 1.00 0.00 C ATOM 774 CD LYS A 51 1.533 8.225 -7.189 1.00 0.00 C ATOM 775 CE LYS A 51 2.124 9.226 -8.172 1.00 0.00 C ATOM 776 NZ LYS A 51 2.829 8.553 -9.297 1.00 0.00 N ATOM 0 H LYS A 51 -0.390 6.191 -6.222 1.00 0.00 H new ATOM 0 HA LYS A 51 2.059 4.736 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.339 6.953 -4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.888 6.135 -4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.382 7.992 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.097 6.771 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.804 7.596 -7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.998 8.757 -6.402 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.329 9.858 -8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.820 9.881 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.068 9.255 -10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.701 8.109 -8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.211 7.824 -9.707 1.00 0.00 H new ATOM 790 N TYR A 52 1.921 2.962 -5.113 1.00 0.00 N ATOM 791 CA TYR A 52 1.870 1.906 -4.116 1.00 0.00 C ATOM 792 C TYR A 52 3.228 1.229 -3.984 1.00 0.00 C ATOM 793 O TYR A 52 4.087 1.345 -4.862 1.00 0.00 O ATOM 794 CB TYR A 52 0.835 0.844 -4.504 1.00 0.00 C ATOM 795 CG TYR A 52 1.309 -0.062 -5.622 1.00 0.00 C ATOM 796 CD1 TYR A 52 1.514 0.432 -6.902 1.00 0.00 C ATOM 797 CD2 TYR A 52 1.590 -1.402 -5.384 1.00 0.00 C ATOM 798 CE1 TYR A 52 1.980 -0.382 -7.916 1.00 0.00 C ATOM 799 CE2 TYR A 52 2.052 -2.222 -6.394 1.00 0.00 C ATOM 800 CZ TYR A 52 2.246 -1.710 -7.657 1.00 0.00 C ATOM 801 OH TYR A 52 2.709 -2.527 -8.663 1.00 0.00 O ATOM 0 H TYR A 52 2.475 2.736 -5.939 1.00 0.00 H new ATOM 0 HA TYR A 52 1.590 2.363 -3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.598 0.239 -3.629 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.087 1.338 -4.810 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.306 1.471 -7.109 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.445 -1.808 -4.394 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.135 0.020 -8.906 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.261 -3.263 -6.194 1.00 0.00 H new ATOM 0 HH TYR A 52 2.847 -3.432 -8.312 1.00 0.00 H new ATOM 811 N GLY A 53 3.397 0.501 -2.902 1.00 0.00 N ATOM 812 CA GLY A 53 4.620 -0.223 -2.666 1.00 0.00 C ATOM 813 C GLY A 53 4.396 -1.328 -1.672 1.00 0.00 C ATOM 814 O GLY A 53 3.433 -1.292 -0.900 1.00 0.00 O ATOM 0 H GLY A 53 2.696 0.397 -2.169 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.990 -0.639 -3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.386 0.458 -2.295 1.00 0.00 H new ATOM 818 N PHE A 54 5.270 -2.317 -1.686 1.00 0.00 N ATOM 819 CA PHE A 54 5.136 -3.433 -0.773 1.00 0.00 C ATOM 820 C PHE A 54 5.818 -3.103 0.537 1.00 0.00 C ATOM 821 O PHE A 54 6.902 -2.516 0.549 1.00 0.00 O ATOM 822 CB PHE A 54 5.707 -4.715 -1.381 1.00 0.00 C ATOM 823 CG PHE A 54 5.022 -5.114 -2.654 1.00 0.00 C ATOM 824 CD1 PHE A 54 3.658 -5.351 -2.674 1.00 0.00 C ATOM 825 CD2 PHE A 54 5.738 -5.240 -3.832 1.00 0.00 C ATOM 826 CE1 PHE A 54 3.019 -5.704 -3.846 1.00 0.00 C ATOM 827 CE2 PHE A 54 5.106 -5.595 -5.005 1.00 0.00 C ATOM 828 CZ PHE A 54 3.747 -5.826 -5.014 1.00 0.00 C ATOM 0 H PHE A 54 6.072 -2.370 -2.314 1.00 0.00 H new ATOM 0 HA PHE A 54 4.076 -3.607 -0.585 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.771 -4.576 -1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.618 -5.525 -0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.087 -5.259 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.803 -5.058 -3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.954 -5.884 -3.850 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.676 -5.692 -5.917 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.252 -6.102 -5.933 1.00 0.00 H new ATOM 838 N CYS A 55 5.169 -3.446 1.635 1.00 0.00 N ATOM 839 CA CYS A 55 5.705 -3.153 2.954 1.00 0.00 C ATOM 840 C CYS A 55 6.331 -4.380 3.605 1.00 0.00 C ATOM 841 O CYS A 55 5.639 -5.195 4.216 1.00 0.00 O ATOM 842 CB CYS A 55 4.609 -2.575 3.849 1.00 0.00 C ATOM 843 SG CYS A 55 2.923 -2.851 3.217 1.00 0.00 S ATOM 0 H CYS A 55 4.270 -3.928 1.641 1.00 0.00 H new ATOM 0 HA CYS A 55 6.497 -2.415 2.830 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.692 -3.018 4.842 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.773 -1.504 3.963 1.00 0.00 H new ATOM 848 N PRO A 56 7.664 -4.520 3.497 1.00 0.00 N ATOM 849 CA PRO A 56 8.403 -5.625 4.078 1.00 0.00 C ATOM 850 C PRO A 56 9.012 -5.248 5.427 1.00 0.00 C ATOM 851 O PRO A 56 10.149 -5.613 5.735 1.00 0.00 O ATOM 852 CB PRO A 56 9.499 -5.840 3.041 1.00 0.00 C ATOM 853 CG PRO A 56 9.771 -4.477 2.471 1.00 0.00 C ATOM 854 CD PRO A 56 8.579 -3.599 2.805 1.00 0.00 C ATOM 0 HA PRO A 56 7.788 -6.502 4.278 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.395 -6.263 3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.177 -6.535 2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.685 -4.060 2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.915 -4.534 1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.863 -2.760 3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.125 -3.179 1.908 1.00 0.00 H new ATOM 862 N HIS A 57 8.253 -4.492 6.217 1.00 0.00 N ATOM 863 CA HIS A 57 8.713 -4.038 7.522 1.00 0.00 C ATOM 864 C HIS A 57 8.579 -5.150 8.561 1.00 0.00 C ATOM 865 O HIS A 57 7.703 -5.116 9.425 1.00 0.00 O ATOM 866 CB HIS A 57 7.929 -2.789 7.953 1.00 0.00 C ATOM 867 CG HIS A 57 8.531 -2.061 9.117 1.00 0.00 C ATOM 868 ND1 HIS A 57 8.585 -2.591 10.387 1.00 0.00 N ATOM 869 CD2 HIS A 57 9.117 -0.843 9.196 1.00 0.00 C ATOM 870 CE1 HIS A 57 9.180 -1.735 11.196 1.00 0.00 C ATOM 871 NE2 HIS A 57 9.511 -0.665 10.500 1.00 0.00 N ATOM 0 H HIS A 57 7.313 -4.181 5.972 1.00 0.00 H new ATOM 0 HA HIS A 57 9.768 -3.776 7.448 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.861 -2.106 7.107 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.911 -3.082 8.209 1.00 0.00 H new ATOM 0 HD1 HIS A 57 8.221 -3.504 10.660 1.00 0.00 H new ATOM 0 HD2 HIS A 57 9.250 -0.142 8.385 1.00 0.00 H new ATOM 0 HE1 HIS A 57 9.365 -1.885 12.249 1.00 0.00 H new ATOM 879 N GLU A 58 9.469 -6.125 8.476 1.00 0.00 N ATOM 880 CA GLU A 58 9.488 -7.245 9.399 1.00 0.00 C ATOM 881 C GLU A 58 10.911 -7.467 9.897 1.00 0.00 C ATOM 882 O GLU A 58 11.309 -8.592 10.216 1.00 0.00 O ATOM 883 CB GLU A 58 8.951 -8.510 8.721 1.00 0.00 C ATOM 884 CG GLU A 58 9.588 -8.830 7.375 1.00 0.00 C ATOM 885 CD GLU A 58 9.048 -10.106 6.785 1.00 0.00 C ATOM 886 OE1 GLU A 58 9.229 -11.168 7.412 1.00 0.00 O ATOM 887 OE2 GLU A 58 8.438 -10.052 5.703 1.00 0.00 O ATOM 0 H GLU A 58 10.199 -6.161 7.764 1.00 0.00 H new ATOM 0 HA GLU A 58 8.843 -7.019 10.249 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.103 -9.357 9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.875 -8.403 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.408 -8.006 6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.668 -8.915 7.496 1.00 0.00 H new ATOM 894 N ALA A 59 11.672 -6.382 9.945 1.00 0.00 N ATOM 895 CA ALA A 59 13.057 -6.431 10.387 1.00 0.00 C ATOM 896 C ALA A 59 13.140 -6.478 11.903 1.00 0.00 C ATOM 897 O ALA A 59 13.627 -7.491 12.432 1.00 0.00 O ATOM 898 CB ALA A 59 13.824 -5.233 9.853 1.00 0.00 C ATOM 0 H ALA A 59 11.349 -5.451 9.681 1.00 0.00 H new ATOM 0 HA ALA A 59 13.509 -7.341 9.993 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.859 -5.283 10.192 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.798 -5.241 8.763 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.366 -4.315 10.220 1.00 0.00 H new TER 904 ALA A 59