USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 713 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 2 THR OG1 : rot -51:sc= -4.12! USER MOD Set 1.2: A 11 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0.284 USER MOD Set 2.2: A 92 THR OG1 : rot -180:sc= 0.302 USER MOD Single : A 1 VAL N :NH3+ -159:sc= -0.388 (180deg=-1.77!) USER MOD Single : A 4 GLN : amide:sc= -4.56! C(o=-4.6!,f=-4.8!) USER MOD Single : A 7 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.7!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0366 USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= -0.208 (180deg=-0.469) USER MOD Single : A 17 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.185) USER MOD Single : A 19 LYS NZ :NH3+ 131:sc= -5.74! (180deg=-7.77!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -9.03! C(o=-9!,f=-14!) USER MOD Single : A 49 SER OG : rot -160:sc= -0.0415 USER MOD Single : A 50 ASN : amide:sc= -4! C(o=-4!,f=-4.4!) USER MOD Single : A 52 ASN : amide:sc= -1.97 K(o=-2,f=-3.4!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -2.46! C(o=-2.5!,f=-4.7!) USER MOD Single : A 82 THR OG1 : rot -160:sc= 0.00171 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -3.036 -12.704 -0.167 1.00 0.00 N ATOM 2 CA VAL A 1 -1.912 -12.414 0.770 1.00 0.00 C ATOM 3 C VAL A 1 -2.403 -11.537 1.925 1.00 0.00 C ATOM 4 O VAL A 1 -2.661 -10.361 1.757 1.00 0.00 O ATOM 5 CB VAL A 1 -0.878 -11.666 -0.072 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.420 -11.521 0.724 1.00 0.00 C ATOM 7 CG2 VAL A 1 -0.606 -12.451 -1.358 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.813 -13.553 -0.725 1.00 0.00 H new ATOM 0 H2 VAL A 1 -3.908 -12.867 0.376 1.00 0.00 H new ATOM 0 H3 VAL A 1 -3.172 -11.895 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.497 -13.319 1.213 1.00 0.00 H new ATOM 0 HB VAL A 1 -1.260 -10.677 -0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.157 -10.988 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.225 -10.963 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.804 -12.509 0.977 1.00 0.00 H new ATOM 0 HG21 VAL A 1 0.131 -11.919 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.224 -13.440 -1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.532 -12.553 -1.925 1.00 0.00 H new ATOM 19 N THR A 2 -2.538 -12.099 3.095 1.00 0.00 N ATOM 20 CA THR A 2 -3.017 -11.293 4.256 1.00 0.00 C ATOM 21 C THR A 2 -2.052 -11.420 5.436 1.00 0.00 C ATOM 22 O THR A 2 -1.237 -12.320 5.495 1.00 0.00 O ATOM 23 CB THR A 2 -4.378 -11.888 4.621 1.00 0.00 C ATOM 24 OG1 THR A 2 -5.044 -11.020 5.526 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.179 -13.256 5.274 1.00 0.00 C ATOM 0 H THR A 2 -2.338 -13.078 3.298 1.00 0.00 H new ATOM 0 HA THR A 2 -3.082 -10.232 4.013 1.00 0.00 H new ATOM 0 HB THR A 2 -4.979 -12.003 3.719 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.445 -10.802 6.271 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.149 -13.680 5.534 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.668 -13.921 4.578 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.578 -13.144 6.177 1.00 0.00 H new ATOM 33 N VAL A 3 -2.153 -10.529 6.383 1.00 0.00 N ATOM 34 CA VAL A 3 -1.257 -10.594 7.572 1.00 0.00 C ATOM 35 C VAL A 3 -1.825 -11.590 8.587 1.00 0.00 C ATOM 36 O VAL A 3 -2.948 -11.460 9.034 1.00 0.00 O ATOM 37 CB VAL A 3 -1.251 -9.177 8.144 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.284 -9.106 9.326 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.806 -8.193 7.060 1.00 0.00 C ATOM 0 H VAL A 3 -2.819 -9.757 6.385 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.250 -10.927 7.323 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.254 -8.918 8.482 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.281 -8.095 9.733 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.601 -9.807 10.098 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.720 -9.365 8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.801 -7.182 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.197 -8.453 6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.497 -8.242 6.218 1.00 0.00 H new ATOM 49 N GLN A 4 -1.066 -12.588 8.946 1.00 0.00 N ATOM 50 CA GLN A 4 -1.577 -13.595 9.919 1.00 0.00 C ATOM 51 C GLN A 4 -0.813 -13.508 11.245 1.00 0.00 C ATOM 52 O GLN A 4 0.390 -13.668 11.292 1.00 0.00 O ATOM 53 CB GLN A 4 -1.330 -14.947 9.247 1.00 0.00 C ATOM 54 CG GLN A 4 -1.900 -16.067 10.120 1.00 0.00 C ATOM 55 CD GLN A 4 -1.496 -17.423 9.542 1.00 0.00 C ATOM 56 OE1 GLN A 4 -0.325 -17.730 9.438 1.00 0.00 O ATOM 57 NE2 GLN A 4 -2.424 -18.257 9.159 1.00 0.00 N ATOM 0 H GLN A 4 -0.117 -12.750 8.609 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.629 -13.436 10.157 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.798 -14.966 8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.261 -15.099 9.095 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.530 -15.970 11.141 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.986 -15.989 10.166 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.407 -18.001 9.246 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.166 -19.165 8.773 1.00 0.00 H new ATOM 66 N ASP A 5 -1.510 -13.264 12.322 1.00 0.00 N ATOM 67 CA ASP A 5 -0.832 -13.178 13.648 1.00 0.00 C ATOM 68 C ASP A 5 -0.987 -14.507 14.393 1.00 0.00 C ATOM 69 O ASP A 5 -0.700 -14.612 15.569 1.00 0.00 O ATOM 70 CB ASP A 5 -1.556 -12.056 14.393 1.00 0.00 C ATOM 71 CG ASP A 5 -1.270 -10.721 13.703 1.00 0.00 C ATOM 72 OD1 ASP A 5 -0.363 -10.680 12.889 1.00 0.00 O ATOM 73 OD2 ASP A 5 -1.962 -9.763 14.003 1.00 0.00 O ATOM 0 H ASP A 5 -2.520 -13.120 12.341 1.00 0.00 H new ATOM 0 HA ASP A 5 0.236 -12.979 13.560 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.629 -12.248 14.408 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.224 -12.020 15.431 1.00 0.00 H new ATOM 78 N GLY A 6 -1.441 -15.520 13.708 1.00 0.00 N ATOM 79 CA GLY A 6 -1.623 -16.849 14.355 1.00 0.00 C ATOM 80 C GLY A 6 -2.166 -17.838 13.322 1.00 0.00 C ATOM 81 O GLY A 6 -1.740 -17.856 12.183 1.00 0.00 O ATOM 0 H GLY A 6 -1.695 -15.483 12.721 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.674 -17.206 14.755 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.312 -16.767 15.196 1.00 0.00 H new ATOM 85 N ASN A 7 -3.104 -18.659 13.705 1.00 0.00 N ATOM 86 CA ASN A 7 -3.673 -19.642 12.738 1.00 0.00 C ATOM 87 C ASN A 7 -4.854 -19.021 11.987 1.00 0.00 C ATOM 88 O ASN A 7 -5.626 -19.708 11.347 1.00 0.00 O ATOM 89 CB ASN A 7 -4.141 -20.817 13.598 1.00 0.00 C ATOM 90 CG ASN A 7 -2.934 -21.455 14.288 1.00 0.00 C ATOM 91 OD1 ASN A 7 -1.803 -21.178 13.939 1.00 0.00 O ATOM 92 ND2 ASN A 7 -3.128 -22.305 15.258 1.00 0.00 N ATOM 0 H ASN A 7 -3.501 -18.693 14.644 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.947 -19.951 11.986 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.860 -20.474 14.342 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.651 -21.555 12.979 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.331 -22.738 15.724 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.077 -22.537 15.551 1.00 0.00 H new ATOM 99 N PHE A 8 -5.002 -17.727 12.061 1.00 0.00 N ATOM 100 CA PHE A 8 -6.132 -17.060 11.353 1.00 0.00 C ATOM 101 C PHE A 8 -5.600 -15.980 10.406 1.00 0.00 C ATOM 102 O PHE A 8 -4.794 -15.154 10.784 1.00 0.00 O ATOM 103 CB PHE A 8 -6.976 -16.434 12.462 1.00 0.00 C ATOM 104 CG PHE A 8 -7.504 -17.520 13.369 1.00 0.00 C ATOM 105 CD1 PHE A 8 -8.707 -18.166 13.061 1.00 0.00 C ATOM 106 CD2 PHE A 8 -6.788 -17.882 14.517 1.00 0.00 C ATOM 107 CE1 PHE A 8 -9.196 -19.173 13.903 1.00 0.00 C ATOM 108 CE2 PHE A 8 -7.277 -18.889 15.358 1.00 0.00 C ATOM 109 CZ PHE A 8 -8.481 -19.535 15.050 1.00 0.00 C ATOM 0 H PHE A 8 -4.388 -17.101 12.582 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.709 -17.757 10.745 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.376 -15.727 13.035 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.804 -15.872 12.030 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.258 -17.888 12.175 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.859 -17.385 14.753 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.125 -19.670 13.667 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.726 -19.168 16.244 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.858 -20.313 15.698 1.00 0.00 H new ATOM 119 N SER A 9 -6.047 -15.979 9.178 1.00 0.00 N ATOM 120 CA SER A 9 -5.567 -14.950 8.211 1.00 0.00 C ATOM 121 C SER A 9 -6.341 -13.642 8.407 1.00 0.00 C ATOM 122 O SER A 9 -7.552 -13.611 8.336 1.00 0.00 O ATOM 123 CB SER A 9 -5.852 -15.543 6.830 1.00 0.00 C ATOM 124 OG SER A 9 -4.923 -16.582 6.561 1.00 0.00 O ATOM 0 H SER A 9 -6.723 -16.645 8.804 1.00 0.00 H new ATOM 0 HA SER A 9 -4.511 -14.716 8.343 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.870 -15.932 6.792 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.778 -14.768 6.067 1.00 0.00 H new ATOM 0 HG SER A 9 -5.106 -16.964 5.677 1.00 0.00 H new ATOM 130 N PHE A 10 -5.648 -12.564 8.659 1.00 0.00 N ATOM 131 CA PHE A 10 -6.347 -11.263 8.867 1.00 0.00 C ATOM 132 C PHE A 10 -5.899 -10.242 7.814 1.00 0.00 C ATOM 133 O PHE A 10 -4.722 -10.018 7.614 1.00 0.00 O ATOM 134 CB PHE A 10 -5.923 -10.806 10.264 1.00 0.00 C ATOM 135 CG PHE A 10 -6.403 -11.801 11.295 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.600 -12.502 11.091 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.653 -12.023 12.455 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.043 -13.421 12.049 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.097 -12.943 13.412 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.293 -13.642 13.209 1.00 0.00 C ATOM 0 H PHE A 10 -4.631 -12.528 8.730 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.429 -11.359 8.776 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.838 -10.713 10.313 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.337 -9.820 10.476 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.180 -12.333 10.195 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.730 -11.484 12.612 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.965 -13.960 11.892 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.517 -13.114 14.307 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.636 -14.351 13.947 1.00 0.00 H new ATOM 150 N SER A 11 -6.831 -9.618 7.146 1.00 0.00 N ATOM 151 CA SER A 11 -6.459 -8.608 6.112 1.00 0.00 C ATOM 152 C SER A 11 -6.004 -7.310 6.788 1.00 0.00 C ATOM 153 O SER A 11 -6.099 -7.162 7.990 1.00 0.00 O ATOM 154 CB SER A 11 -7.737 -8.375 5.306 1.00 0.00 C ATOM 155 OG SER A 11 -8.163 -9.602 4.731 1.00 0.00 O ATOM 0 H SER A 11 -7.833 -9.763 7.271 1.00 0.00 H new ATOM 0 HA SER A 11 -5.637 -8.944 5.480 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.518 -7.972 5.951 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.557 -7.637 4.524 1.00 0.00 H new ATOM 0 HG SER A 11 -8.983 -9.454 4.215 1.00 0.00 H new ATOM 161 N LEU A 12 -5.505 -6.372 6.029 1.00 0.00 N ATOM 162 CA LEU A 12 -5.039 -5.093 6.639 1.00 0.00 C ATOM 163 C LEU A 12 -6.017 -3.954 6.331 1.00 0.00 C ATOM 164 O LEU A 12 -5.846 -2.841 6.788 1.00 0.00 O ATOM 165 CB LEU A 12 -3.679 -4.817 5.996 1.00 0.00 C ATOM 166 CG LEU A 12 -2.727 -5.975 6.300 1.00 0.00 C ATOM 167 CD1 LEU A 12 -1.398 -5.747 5.578 1.00 0.00 C ATOM 168 CD2 LEU A 12 -2.480 -6.049 7.808 1.00 0.00 C ATOM 0 H LEU A 12 -5.400 -6.435 5.016 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.974 -5.163 7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.792 -4.698 4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.267 -3.883 6.378 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.171 -6.909 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.720 -6.572 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.572 -5.693 4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.953 -4.813 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.802 -6.874 8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.036 -5.114 8.150 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.426 -6.212 8.324 1.00 0.00 H new ATOM 180 N GLU A 13 -7.039 -4.216 5.563 1.00 0.00 N ATOM 181 CA GLU A 13 -8.017 -3.138 5.236 1.00 0.00 C ATOM 182 C GLU A 13 -8.785 -2.718 6.492 1.00 0.00 C ATOM 183 O GLU A 13 -8.557 -1.663 7.049 1.00 0.00 O ATOM 184 CB GLU A 13 -8.971 -3.759 4.215 1.00 0.00 C ATOM 185 CG GLU A 13 -8.197 -4.132 2.950 1.00 0.00 C ATOM 186 CD GLU A 13 -9.159 -4.731 1.922 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.290 -5.005 2.288 1.00 0.00 O ATOM 188 OE2 GLU A 13 -8.749 -4.905 0.787 1.00 0.00 O ATOM 0 H GLU A 13 -7.239 -5.126 5.149 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.526 -2.246 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.446 -4.645 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.768 -3.056 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.709 -3.250 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.411 -4.848 3.189 1.00 0.00 H new ATOM 195 N SER A 14 -9.696 -3.538 6.939 1.00 0.00 N ATOM 196 CA SER A 14 -10.488 -3.192 8.155 1.00 0.00 C ATOM 197 C SER A 14 -9.564 -2.713 9.279 1.00 0.00 C ATOM 198 O SER A 14 -9.842 -1.738 9.952 1.00 0.00 O ATOM 199 CB SER A 14 -11.186 -4.492 8.552 1.00 0.00 C ATOM 200 OG SER A 14 -11.820 -5.055 7.411 1.00 0.00 O ATOM 0 H SER A 14 -9.927 -4.436 6.514 1.00 0.00 H new ATOM 0 HA SER A 14 -11.197 -2.386 7.968 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.462 -5.195 8.964 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.922 -4.299 9.332 1.00 0.00 H new ATOM 0 HG SER A 14 -12.267 -5.890 7.664 1.00 0.00 H new ATOM 206 N VAL A 15 -8.465 -3.384 9.489 1.00 0.00 N ATOM 207 CA VAL A 15 -7.532 -2.955 10.569 1.00 0.00 C ATOM 208 C VAL A 15 -7.023 -1.540 10.283 1.00 0.00 C ATOM 209 O VAL A 15 -7.082 -0.669 11.128 1.00 0.00 O ATOM 210 CB VAL A 15 -6.388 -3.965 10.532 1.00 0.00 C ATOM 211 CG1 VAL A 15 -5.177 -3.397 11.275 1.00 0.00 C ATOM 212 CG2 VAL A 15 -6.842 -5.258 11.212 1.00 0.00 C ATOM 0 H VAL A 15 -8.173 -4.207 8.962 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.009 -2.929 11.549 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.112 -4.168 9.497 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.361 -4.120 11.247 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.858 -2.471 10.796 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.448 -3.195 12.311 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.030 -5.985 11.190 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.114 -5.049 12.247 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.706 -5.662 10.685 1.00 0.00 H new ATOM 222 N LYS A 16 -6.540 -1.299 9.097 1.00 0.00 N ATOM 223 CA LYS A 16 -6.048 0.067 8.767 1.00 0.00 C ATOM 224 C LYS A 16 -7.161 1.082 9.033 1.00 0.00 C ATOM 225 O LYS A 16 -6.985 2.040 9.759 1.00 0.00 O ATOM 226 CB LYS A 16 -5.705 0.019 7.278 1.00 0.00 C ATOM 227 CG LYS A 16 -5.158 1.378 6.838 1.00 0.00 C ATOM 228 CD LYS A 16 -4.957 1.379 5.320 1.00 0.00 C ATOM 229 CE LYS A 16 -4.330 2.706 4.890 1.00 0.00 C ATOM 230 NZ LYS A 16 -5.283 3.272 3.893 1.00 0.00 N ATOM 0 H LYS A 16 -6.465 -1.984 8.345 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.186 0.362 9.365 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.967 -0.761 7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.592 -0.234 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.849 2.171 7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.213 1.582 7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.314 0.549 5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.913 1.236 4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.202 3.377 5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.343 2.554 4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.790 3.968 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.655 2.507 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.070 3.736 4.390 1.00 0.00 H new ATOM 244 N LYS A 17 -8.313 0.867 8.455 1.00 0.00 N ATOM 245 CA LYS A 17 -9.451 1.803 8.678 1.00 0.00 C ATOM 246 C LYS A 17 -10.126 1.498 10.018 1.00 0.00 C ATOM 247 O LYS A 17 -11.172 2.031 10.333 1.00 0.00 O ATOM 248 CB LYS A 17 -10.417 1.533 7.524 1.00 0.00 C ATOM 249 CG LYS A 17 -9.726 1.848 6.195 1.00 0.00 C ATOM 250 CD LYS A 17 -10.718 1.650 5.047 1.00 0.00 C ATOM 251 CE LYS A 17 -9.995 1.840 3.713 1.00 0.00 C ATOM 252 NZ LYS A 17 -9.302 0.544 3.467 1.00 0.00 N ATOM 0 H LYS A 17 -8.514 0.081 7.837 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.130 2.844 8.708 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.738 0.492 7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.312 2.145 7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.357 2.874 6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.861 1.198 6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.155 0.653 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.538 2.363 5.133 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.697 2.071 2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.285 2.665 3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.318 0.725 3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.313 -0.026 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.791 0.027 2.709 1.00 0.00 H new ATOM 266 N LEU A 18 -9.535 0.644 10.809 1.00 0.00 N ATOM 267 CA LEU A 18 -10.135 0.300 12.129 1.00 0.00 C ATOM 268 C LEU A 18 -10.245 1.546 13.015 1.00 0.00 C ATOM 269 O LEU A 18 -11.255 1.783 13.647 1.00 0.00 O ATOM 270 CB LEU A 18 -9.159 -0.708 12.737 1.00 0.00 C ATOM 271 CG LEU A 18 -9.687 -1.188 14.089 1.00 0.00 C ATOM 272 CD1 LEU A 18 -11.160 -1.572 13.952 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.882 -2.408 14.544 1.00 0.00 C ATOM 0 H LEU A 18 -8.658 0.168 10.596 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.144 -0.101 12.035 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.031 -1.556 12.064 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.178 -0.249 12.861 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.586 -0.390 14.825 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.538 -1.915 14.915 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.733 -0.705 13.625 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.261 -2.371 13.218 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.257 -2.752 15.508 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.984 -3.206 13.809 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.831 -2.135 14.640 1.00 0.00 H new ATOM 285 N LYS A 19 -9.211 2.344 13.069 1.00 0.00 N ATOM 286 CA LYS A 19 -9.260 3.570 13.919 1.00 0.00 C ATOM 287 C LYS A 19 -10.281 4.564 13.361 1.00 0.00 C ATOM 288 O LYS A 19 -10.934 5.276 14.096 1.00 0.00 O ATOM 289 CB LYS A 19 -7.849 4.153 13.852 1.00 0.00 C ATOM 290 CG LYS A 19 -6.859 3.151 14.446 1.00 0.00 C ATOM 291 CD LYS A 19 -5.451 3.749 14.429 1.00 0.00 C ATOM 292 CE LYS A 19 -4.457 2.725 14.982 1.00 0.00 C ATOM 293 NZ LYS A 19 -3.408 3.533 15.665 1.00 0.00 N ATOM 0 H LYS A 19 -8.337 2.200 12.563 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.563 3.350 14.943 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.584 4.375 12.818 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.805 5.094 14.401 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.147 2.902 15.467 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.878 2.223 13.874 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.175 4.028 13.412 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.423 4.659 15.028 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.942 2.040 15.677 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.030 2.119 14.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.238 3.148 16.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.527 3.495 15.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.726 4.520 15.742 1.00 0.00 H new ATOM 307 N ASP A 20 -10.424 4.616 12.065 1.00 0.00 N ATOM 308 CA ASP A 20 -11.404 5.563 11.462 1.00 0.00 C ATOM 309 C ASP A 20 -12.313 4.820 10.480 1.00 0.00 C ATOM 310 O ASP A 20 -12.117 4.861 9.282 1.00 0.00 O ATOM 311 CB ASP A 20 -10.554 6.599 10.727 1.00 0.00 C ATOM 312 CG ASP A 20 -11.457 7.714 10.194 1.00 0.00 C ATOM 313 OD1 ASP A 20 -12.630 7.711 10.531 1.00 0.00 O ATOM 314 OD2 ASP A 20 -10.961 8.549 9.457 1.00 0.00 O ATOM 0 H ASP A 20 -9.905 4.044 11.398 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.049 6.024 12.209 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.804 7.014 11.401 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.017 6.127 9.904 1.00 0.00 H new ATOM 319 N LEU A 21 -13.307 4.135 10.978 1.00 0.00 N ATOM 320 CA LEU A 21 -14.222 3.387 10.071 1.00 0.00 C ATOM 321 C LEU A 21 -15.626 3.996 10.109 1.00 0.00 C ATOM 322 O LEU A 21 -16.226 4.138 11.156 1.00 0.00 O ATOM 323 CB LEU A 21 -14.244 1.960 10.617 1.00 0.00 C ATOM 324 CG LEU A 21 -14.935 1.041 9.608 1.00 0.00 C ATOM 325 CD1 LEU A 21 -14.400 -0.384 9.768 1.00 0.00 C ATOM 326 CD2 LEU A 21 -16.444 1.050 9.860 1.00 0.00 C ATOM 0 H LEU A 21 -13.524 4.062 11.972 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.890 3.423 9.033 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.227 1.614 10.803 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.770 1.932 11.571 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.734 1.394 8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.892 -1.040 9.050 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.325 -0.391 9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.602 -0.737 10.779 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.937 0.395 9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.646 0.696 10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.826 2.065 9.748 1.00 0.00 H new ATOM 338 N GLN A 22 -16.156 4.350 8.971 1.00 0.00 N ATOM 339 CA GLN A 22 -17.522 4.943 8.934 1.00 0.00 C ATOM 340 C GLN A 22 -18.220 4.558 7.627 1.00 0.00 C ATOM 341 O GLN A 22 -18.686 5.401 6.885 1.00 0.00 O ATOM 342 CB GLN A 22 -17.302 6.454 9.004 1.00 0.00 C ATOM 343 CG GLN A 22 -16.730 6.821 10.375 1.00 0.00 C ATOM 344 CD GLN A 22 -16.515 8.334 10.453 1.00 0.00 C ATOM 345 OE1 GLN A 22 -16.523 9.012 9.445 1.00 0.00 O ATOM 346 NE2 GLN A 22 -16.323 8.893 11.616 1.00 0.00 N ATOM 0 H GLN A 22 -15.701 4.254 8.063 1.00 0.00 H new ATOM 0 HA GLN A 22 -18.152 4.590 9.750 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.618 6.770 8.216 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -18.243 6.978 8.838 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -17.411 6.499 11.163 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.786 6.300 10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.317 8.322 12.461 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -16.179 9.901 11.680 1.00 0.00 H new ATOM 355 N GLU A 23 -18.292 3.287 7.340 1.00 0.00 N ATOM 356 CA GLU A 23 -18.955 2.838 6.082 1.00 0.00 C ATOM 357 C GLU A 23 -19.031 1.307 6.044 1.00 0.00 C ATOM 358 O GLU A 23 -18.344 0.636 6.788 1.00 0.00 O ATOM 359 CB GLU A 23 -18.058 3.360 4.959 1.00 0.00 C ATOM 360 CG GLU A 23 -16.751 2.564 4.938 1.00 0.00 C ATOM 361 CD GLU A 23 -15.819 3.142 3.872 1.00 0.00 C ATOM 362 OE1 GLU A 23 -15.998 2.808 2.712 1.00 0.00 O ATOM 363 OE2 GLU A 23 -14.942 3.909 4.233 1.00 0.00 O ATOM 0 H GLU A 23 -17.919 2.538 7.924 1.00 0.00 H new ATOM 0 HA GLU A 23 -19.976 3.208 5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -18.568 3.268 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -17.849 4.419 5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.272 2.605 5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.955 1.514 4.727 1.00 0.00 H new ATOM 370 N PRO A 24 -19.869 0.805 5.175 1.00 0.00 N ATOM 371 CA PRO A 24 -20.042 -0.660 5.033 1.00 0.00 C ATOM 372 C PRO A 24 -18.726 -1.321 4.608 1.00 0.00 C ATOM 373 O PRO A 24 -17.794 -0.661 4.196 1.00 0.00 O ATOM 374 CB PRO A 24 -21.098 -0.769 3.929 1.00 0.00 C ATOM 375 CG PRO A 24 -21.492 0.652 3.479 1.00 0.00 C ATOM 376 CD PRO A 24 -20.683 1.672 4.292 1.00 0.00 C ATOM 0 HA PRO A 24 -20.335 -1.158 5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -20.706 -1.337 3.086 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -21.973 -1.306 4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -21.296 0.778 2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -22.560 0.812 3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.061 2.299 3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -21.328 2.340 4.862 1.00 0.00 H new ATOM 384 N GLN A 25 -18.645 -2.620 4.708 1.00 0.00 N ATOM 385 CA GLN A 25 -17.390 -3.323 4.312 1.00 0.00 C ATOM 386 C GLN A 25 -16.875 -2.776 2.978 1.00 0.00 C ATOM 387 O GLN A 25 -17.631 -2.555 2.052 1.00 0.00 O ATOM 388 CB GLN A 25 -17.787 -4.793 4.170 1.00 0.00 C ATOM 389 CG GLN A 25 -18.230 -5.336 5.530 1.00 0.00 C ATOM 390 CD GLN A 25 -18.622 -6.808 5.387 1.00 0.00 C ATOM 391 OE1 GLN A 25 -18.803 -7.296 4.290 1.00 0.00 O ATOM 392 NE2 GLN A 25 -18.761 -7.541 6.458 1.00 0.00 N ATOM 0 H GLN A 25 -19.393 -3.225 5.047 1.00 0.00 H new ATOM 0 HA GLN A 25 -16.592 -3.184 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.595 -4.894 3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -16.945 -5.373 3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -17.423 -5.232 6.256 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.074 -4.759 5.907 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -18.609 -7.131 7.380 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -19.022 -8.524 6.373 1.00 0.00 H new ATOM 401 N GLU A 26 -15.593 -2.555 2.872 1.00 0.00 N ATOM 402 CA GLU A 26 -15.030 -2.020 1.599 1.00 0.00 C ATOM 403 C GLU A 26 -14.022 -3.014 1.006 1.00 0.00 C ATOM 404 O GLU A 26 -12.998 -3.283 1.602 1.00 0.00 O ATOM 405 CB GLU A 26 -14.329 -0.720 1.992 1.00 0.00 C ATOM 406 CG GLU A 26 -13.319 -1.002 3.106 1.00 0.00 C ATOM 407 CD GLU A 26 -13.761 -0.289 4.386 1.00 0.00 C ATOM 408 OE1 GLU A 26 -13.485 0.894 4.508 1.00 0.00 O ATOM 409 OE2 GLU A 26 -14.368 -0.937 5.223 1.00 0.00 O ATOM 0 H GLU A 26 -14.911 -2.722 3.612 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.799 -1.858 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.822 -0.292 1.127 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.062 0.014 2.328 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.245 -2.075 3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.328 -0.658 2.809 1.00 0.00 H new ATOM 416 N PRO A 27 -14.343 -3.529 -0.154 1.00 0.00 N ATOM 417 CA PRO A 27 -13.453 -4.500 -0.833 1.00 0.00 C ATOM 418 C PRO A 27 -12.097 -3.861 -1.144 1.00 0.00 C ATOM 419 O PRO A 27 -11.709 -2.880 -0.539 1.00 0.00 O ATOM 420 CB PRO A 27 -14.220 -4.818 -2.120 1.00 0.00 C ATOM 421 CG PRO A 27 -15.533 -4.007 -2.127 1.00 0.00 C ATOM 422 CD PRO A 27 -15.604 -3.171 -0.843 1.00 0.00 C ATOM 0 HA PRO A 27 -13.233 -5.384 -0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.616 -4.567 -2.992 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.435 -5.885 -2.178 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.571 -3.359 -3.002 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -16.390 -4.677 -2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.660 -2.104 -1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -16.479 -3.422 -0.244 1.00 0.00 H new ATOM 430 N ARG A 28 -11.372 -4.408 -2.081 1.00 0.00 N ATOM 431 CA ARG A 28 -10.041 -3.831 -2.428 1.00 0.00 C ATOM 432 C ARG A 28 -10.188 -2.354 -2.808 1.00 0.00 C ATOM 433 O ARG A 28 -11.146 -1.959 -3.444 1.00 0.00 O ATOM 434 CB ARG A 28 -9.554 -4.647 -3.627 1.00 0.00 C ATOM 435 CG ARG A 28 -9.332 -6.099 -3.198 1.00 0.00 C ATOM 436 CD ARG A 28 -8.737 -6.890 -4.365 1.00 0.00 C ATOM 437 NE ARG A 28 -8.749 -8.309 -3.909 1.00 0.00 N ATOM 438 CZ ARG A 28 -7.660 -9.024 -3.976 1.00 0.00 C ATOM 439 NH1 ARG A 28 -7.012 -9.123 -5.104 1.00 0.00 N ATOM 440 NH2 ARG A 28 -7.218 -9.643 -2.914 1.00 0.00 N ATOM 0 H ARG A 28 -11.643 -5.229 -2.622 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.341 -3.877 -1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.287 -4.602 -4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.627 -4.225 -4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.662 -6.137 -2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.276 -6.546 -2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.328 -6.761 -5.272 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.725 -6.557 -4.594 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.608 -8.721 -3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.357 -8.641 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.161 -9.682 -5.156 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.724 -9.567 -2.032 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.366 -10.202 -2.967 1.00 0.00 H new ATOM 454 N VAL A 29 -9.247 -1.536 -2.424 1.00 0.00 N ATOM 455 CA VAL A 29 -9.335 -0.085 -2.763 1.00 0.00 C ATOM 456 C VAL A 29 -8.152 0.326 -3.644 1.00 0.00 C ATOM 457 O VAL A 29 -7.025 -0.064 -3.409 1.00 0.00 O ATOM 458 CB VAL A 29 -9.278 0.641 -1.420 1.00 0.00 C ATOM 459 CG1 VAL A 29 -9.477 2.142 -1.643 1.00 0.00 C ATOM 460 CG2 VAL A 29 -10.386 0.111 -0.506 1.00 0.00 C ATOM 0 H VAL A 29 -8.421 -1.808 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.243 0.154 -3.317 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.308 0.468 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.436 2.661 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.689 2.521 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.447 2.315 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.346 0.629 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.356 0.285 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -10.246 -0.958 -0.347 1.00 0.00 H new ATOM 470 N GLY A 30 -8.398 1.111 -4.658 1.00 0.00 N ATOM 471 CA GLY A 30 -7.288 1.546 -5.550 1.00 0.00 C ATOM 472 C GLY A 30 -6.190 2.207 -4.713 1.00 0.00 C ATOM 473 O GLY A 30 -5.031 2.199 -5.075 1.00 0.00 O ATOM 0 H GLY A 30 -9.320 1.469 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.883 0.689 -6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.661 2.246 -6.298 1.00 0.00 H new ATOM 477 N LYS A 31 -6.548 2.779 -3.596 1.00 0.00 N ATOM 478 CA LYS A 31 -5.523 3.439 -2.736 1.00 0.00 C ATOM 479 C LYS A 31 -4.659 2.386 -2.038 1.00 0.00 C ATOM 480 O LYS A 31 -5.067 1.255 -1.859 1.00 0.00 O ATOM 481 CB LYS A 31 -6.326 4.241 -1.711 1.00 0.00 C ATOM 482 CG LYS A 31 -7.122 5.333 -2.427 1.00 0.00 C ATOM 483 CD LYS A 31 -7.838 6.204 -1.393 1.00 0.00 C ATOM 484 CE LYS A 31 -8.725 7.222 -2.113 1.00 0.00 C ATOM 485 NZ LYS A 31 -9.532 7.859 -1.032 1.00 0.00 N ATOM 0 H LYS A 31 -7.504 2.818 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.847 4.072 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.002 3.582 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.655 4.687 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.455 5.945 -3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.848 4.884 -3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.442 5.582 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.109 6.719 -0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.126 7.960 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.365 6.737 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.167 8.571 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.096 7.133 -0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.896 8.318 -0.349 1.00 0.00 H new ATOM 499 N LEU A 32 -3.468 2.747 -1.644 1.00 0.00 N ATOM 500 CA LEU A 32 -2.580 1.764 -0.959 1.00 0.00 C ATOM 501 C LEU A 32 -2.796 1.818 0.555 1.00 0.00 C ATOM 502 O LEU A 32 -2.871 2.877 1.145 1.00 0.00 O ATOM 503 CB LEU A 32 -1.159 2.203 -1.311 1.00 0.00 C ATOM 504 CG LEU A 32 -0.160 1.185 -0.755 1.00 0.00 C ATOM 505 CD1 LEU A 32 -0.201 -0.087 -1.605 1.00 0.00 C ATOM 506 CD2 LEU A 32 1.249 1.778 -0.794 1.00 0.00 C ATOM 0 H LEU A 32 -3.072 3.679 -1.766 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.782 0.739 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.049 2.284 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.958 3.190 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.424 0.943 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.510 -0.812 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.205 -0.511 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.062 0.155 -2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.960 1.053 -0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.513 2.021 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.279 2.684 -0.189 1.00 0.00 H new ATOM 518 N ARG A 33 -2.898 0.682 1.190 1.00 0.00 N ATOM 519 CA ARG A 33 -3.108 0.668 2.666 1.00 0.00 C ATOM 520 C ARG A 33 -1.837 1.132 3.385 1.00 0.00 C ATOM 521 O ARG A 33 -1.232 0.394 4.136 1.00 0.00 O ATOM 522 CB ARG A 33 -3.422 -0.790 3.012 1.00 0.00 C ATOM 523 CG ARG A 33 -2.233 -1.676 2.629 1.00 0.00 C ATOM 524 CD ARG A 33 -2.645 -3.147 2.720 1.00 0.00 C ATOM 525 NE ARG A 33 -1.370 -3.908 2.598 1.00 0.00 N ATOM 526 CZ ARG A 33 -1.219 -4.776 1.636 1.00 0.00 C ATOM 527 NH1 ARG A 33 -0.480 -4.482 0.602 1.00 0.00 N ATOM 528 NH2 ARG A 33 -1.806 -5.939 1.709 1.00 0.00 N ATOM 0 H ARG A 33 -2.845 -0.237 0.751 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.910 1.339 2.975 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.631 -0.885 4.078 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.317 -1.116 2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.902 -1.442 1.617 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.391 -1.481 3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.144 -3.360 3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.342 -3.413 1.925 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.616 -3.750 3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.020 -3.573 0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.362 -5.161 -0.150 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.383 -6.169 2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.688 -6.618 0.957 1.00 0.00 H new ATOM 542 N ASN A 34 -1.429 2.352 3.162 1.00 0.00 N ATOM 543 CA ASN A 34 -0.198 2.861 3.835 1.00 0.00 C ATOM 544 C ASN A 34 -0.452 4.252 4.424 1.00 0.00 C ATOM 545 O ASN A 34 0.461 4.937 4.839 1.00 0.00 O ATOM 546 CB ASN A 34 0.859 2.929 2.730 1.00 0.00 C ATOM 547 CG ASN A 34 0.600 4.151 1.846 1.00 0.00 C ATOM 548 OD1 ASN A 34 -0.469 4.727 1.882 1.00 0.00 O ATOM 549 ND2 ASN A 34 1.542 4.573 1.047 1.00 0.00 N ATOM 0 H ASN A 34 -1.893 3.018 2.544 1.00 0.00 H new ATOM 0 HA ASN A 34 0.116 2.221 4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.855 2.990 3.169 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.830 2.020 2.129 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.381 5.386 0.453 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.440 4.089 1.017 1.00 0.00 H new ATOM 556 N PHE A 35 -1.686 4.674 4.463 1.00 0.00 N ATOM 557 CA PHE A 35 -1.996 6.020 5.025 1.00 0.00 C ATOM 558 C PHE A 35 -2.535 5.888 6.453 1.00 0.00 C ATOM 559 O PHE A 35 -2.988 6.846 7.048 1.00 0.00 O ATOM 560 CB PHE A 35 -3.067 6.598 4.100 1.00 0.00 C ATOM 561 CG PHE A 35 -2.516 6.706 2.699 1.00 0.00 C ATOM 562 CD1 PHE A 35 -1.680 7.774 2.356 1.00 0.00 C ATOM 563 CD2 PHE A 35 -2.844 5.739 1.743 1.00 0.00 C ATOM 564 CE1 PHE A 35 -1.170 7.875 1.056 1.00 0.00 C ATOM 565 CE2 PHE A 35 -2.334 5.838 0.442 1.00 0.00 C ATOM 566 CZ PHE A 35 -1.497 6.906 0.100 1.00 0.00 C ATOM 0 H PHE A 35 -2.493 4.146 4.130 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.114 6.658 5.077 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -3.951 5.960 4.107 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.379 7.580 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.428 8.521 3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.491 4.916 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.525 8.700 0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.586 5.091 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.103 6.983 -0.903 1.00 0.00 H new ATOM 576 N ALA A 36 -2.490 4.707 7.006 1.00 0.00 N ATOM 577 CA ALA A 36 -3.002 4.514 8.395 1.00 0.00 C ATOM 578 C ALA A 36 -2.207 5.379 9.380 1.00 0.00 C ATOM 579 O ALA A 36 -1.024 5.593 9.201 1.00 0.00 O ATOM 580 CB ALA A 36 -2.788 3.029 8.692 1.00 0.00 C ATOM 0 H ALA A 36 -2.122 3.868 6.558 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.048 4.804 8.493 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.140 2.805 9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.344 2.430 7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.727 2.792 8.618 1.00 0.00 H new ATOM 586 N PRO A 37 -2.887 5.849 10.394 1.00 0.00 N ATOM 587 CA PRO A 37 -2.242 6.699 11.423 1.00 0.00 C ATOM 588 C PRO A 37 -1.159 5.913 12.168 1.00 0.00 C ATOM 589 O PRO A 37 -0.549 5.012 11.628 1.00 0.00 O ATOM 590 CB PRO A 37 -3.410 7.042 12.354 1.00 0.00 C ATOM 591 CG PRO A 37 -4.686 6.365 11.817 1.00 0.00 C ATOM 592 CD PRO A 37 -4.330 5.559 10.562 1.00 0.00 C ATOM 0 HA PRO A 37 -1.743 7.578 11.016 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.199 6.700 13.367 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.548 8.122 12.405 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.114 5.711 12.577 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.440 7.116 11.582 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.517 4.494 10.697 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.911 5.877 9.697 1.00 0.00 H new ATOM 600 N ILE A 38 -0.918 6.247 13.407 1.00 0.00 N ATOM 601 CA ILE A 38 0.123 5.520 14.189 1.00 0.00 C ATOM 602 C ILE A 38 -0.543 4.628 15.244 1.00 0.00 C ATOM 603 O ILE A 38 -1.474 5.043 15.904 1.00 0.00 O ATOM 604 CB ILE A 38 0.953 6.616 14.860 1.00 0.00 C ATOM 605 CG1 ILE A 38 1.219 7.743 13.858 1.00 0.00 C ATOM 606 CG2 ILE A 38 2.285 6.029 15.333 1.00 0.00 C ATOM 607 CD1 ILE A 38 0.492 9.010 14.312 1.00 0.00 C ATOM 0 H ILE A 38 -1.397 6.992 13.912 1.00 0.00 H new ATOM 0 HA ILE A 38 0.737 4.873 13.563 1.00 0.00 H new ATOM 0 HB ILE A 38 0.406 7.013 15.715 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.290 7.932 13.783 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.877 7.450 12.865 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.877 6.809 15.811 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.096 5.228 16.047 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.832 5.632 14.478 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.681 9.813 13.599 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.579 8.816 14.365 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.856 9.305 15.296 1.00 0.00 H new ATOM 619 N PRO A 39 -0.046 3.423 15.367 1.00 0.00 N ATOM 620 CA PRO A 39 -0.603 2.461 16.347 1.00 0.00 C ATOM 621 C PRO A 39 -0.468 3.003 17.774 1.00 0.00 C ATOM 622 O PRO A 39 0.484 3.680 18.103 1.00 0.00 O ATOM 623 CB PRO A 39 0.275 1.224 16.141 1.00 0.00 C ATOM 624 CG PRO A 39 1.308 1.528 15.040 1.00 0.00 C ATOM 625 CD PRO A 39 1.092 2.961 14.538 1.00 0.00 C ATOM 0 HA PRO A 39 -1.666 2.261 16.208 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.780 0.960 17.070 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.338 0.369 15.858 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.319 1.414 15.430 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.202 0.820 14.218 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.978 3.580 14.683 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.856 2.987 13.474 1.00 0.00 H new ATOM 633 N GLY A 40 -1.416 2.707 18.622 1.00 0.00 N ATOM 634 CA GLY A 40 -1.340 3.203 20.025 1.00 0.00 C ATOM 635 C GLY A 40 -2.751 3.462 20.557 1.00 0.00 C ATOM 636 O GLY A 40 -2.986 4.400 21.293 1.00 0.00 O ATOM 0 H GLY A 40 -2.238 2.144 18.404 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.833 2.471 20.653 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.752 4.120 20.066 1.00 0.00 H new ATOM 640 N GLU A 41 -3.693 2.637 20.193 1.00 0.00 N ATOM 641 CA GLU A 41 -5.089 2.836 20.679 1.00 0.00 C ATOM 642 C GLU A 41 -5.717 1.489 21.053 1.00 0.00 C ATOM 643 O GLU A 41 -6.672 1.059 20.437 1.00 0.00 O ATOM 644 CB GLU A 41 -5.834 3.466 19.502 1.00 0.00 C ATOM 645 CG GLU A 41 -6.612 4.690 19.989 1.00 0.00 C ATOM 646 CD GLU A 41 -7.409 5.285 18.827 1.00 0.00 C ATOM 647 OE1 GLU A 41 -8.170 4.550 18.218 1.00 0.00 O ATOM 648 OE2 GLU A 41 -7.245 6.465 18.563 1.00 0.00 O ATOM 0 H GLU A 41 -3.557 1.833 19.580 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.130 3.464 21.569 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.128 3.756 18.724 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.516 2.740 19.059 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.285 4.408 20.798 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.925 5.434 20.391 1.00 0.00 H new ATOM 655 N PRO A 42 -5.155 0.864 22.054 1.00 0.00 N ATOM 656 CA PRO A 42 -5.660 -0.448 22.523 1.00 0.00 C ATOM 657 C PRO A 42 -7.104 -0.327 23.019 1.00 0.00 C ATOM 658 O PRO A 42 -7.358 0.142 24.110 1.00 0.00 O ATOM 659 CB PRO A 42 -4.708 -0.782 23.674 1.00 0.00 C ATOM 660 CG PRO A 42 -3.687 0.364 23.822 1.00 0.00 C ATOM 661 CD PRO A 42 -3.991 1.437 22.768 1.00 0.00 C ATOM 0 HA PRO A 42 -5.680 -1.212 21.746 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.267 -0.912 24.601 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.194 -1.723 23.478 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.743 0.792 24.823 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.673 -0.015 23.693 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.228 2.398 23.224 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.145 1.601 22.100 1.00 0.00 H new ATOM 669 N VAL A 43 -8.051 -0.747 22.225 1.00 0.00 N ATOM 670 CA VAL A 43 -9.477 -0.659 22.652 1.00 0.00 C ATOM 671 C VAL A 43 -10.201 -1.973 22.342 1.00 0.00 C ATOM 672 O VAL A 43 -10.159 -2.468 21.232 1.00 0.00 O ATOM 673 CB VAL A 43 -10.067 0.485 21.827 1.00 0.00 C ATOM 674 CG1 VAL A 43 -10.037 0.113 20.343 1.00 0.00 C ATOM 675 CG2 VAL A 43 -11.513 0.734 22.260 1.00 0.00 C ATOM 0 H VAL A 43 -7.899 -1.147 21.299 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.579 -0.484 23.723 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.479 1.388 21.987 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.458 0.929 19.755 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.007 -0.064 20.033 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.625 -0.791 20.182 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.934 1.550 21.672 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -12.101 -0.170 22.100 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.536 1.000 23.317 1.00 0.00 H new ATOM 685 N VAL A 44 -10.860 -2.545 23.312 1.00 0.00 N ATOM 686 CA VAL A 44 -11.579 -3.828 23.066 1.00 0.00 C ATOM 687 C VAL A 44 -12.734 -3.995 24.061 1.00 0.00 C ATOM 688 O VAL A 44 -12.582 -4.628 25.086 1.00 0.00 O ATOM 689 CB VAL A 44 -10.524 -4.916 23.278 1.00 0.00 C ATOM 690 CG1 VAL A 44 -11.210 -6.275 23.419 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.575 -4.946 22.076 1.00 0.00 C ATOM 0 H VAL A 44 -10.932 -2.181 24.262 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.017 -3.870 22.069 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.958 -4.701 24.184 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.457 -7.049 23.570 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.886 -6.255 24.274 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.777 -6.492 22.514 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.823 -5.721 22.226 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.142 -5.161 21.170 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.084 -3.978 21.976 1.00 0.00 H new ATOM 701 N PRO A 45 -13.859 -3.419 23.719 1.00 0.00 N ATOM 702 CA PRO A 45 -15.060 -3.504 24.584 1.00 0.00 C ATOM 703 C PRO A 45 -15.494 -4.965 24.741 1.00 0.00 C ATOM 704 O PRO A 45 -14.680 -5.866 24.707 1.00 0.00 O ATOM 705 CB PRO A 45 -16.098 -2.701 23.794 1.00 0.00 C ATOM 706 CG PRO A 45 -15.444 -2.185 22.497 1.00 0.00 C ATOM 707 CD PRO A 45 -13.985 -2.660 22.454 1.00 0.00 C ATOM 0 HA PRO A 45 -14.907 -3.127 25.595 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.960 -3.326 23.560 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -16.463 -1.865 24.391 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.987 -2.556 21.628 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.487 -1.097 22.460 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.787 -3.286 21.584 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -13.287 -1.824 22.411 1.00 0.00 H new ATOM 715 N ILE A 46 -16.767 -5.210 24.903 1.00 0.00 N ATOM 716 CA ILE A 46 -17.232 -6.619 25.046 1.00 0.00 C ATOM 717 C ILE A 46 -16.698 -7.440 23.873 1.00 0.00 C ATOM 718 O ILE A 46 -16.075 -8.470 24.048 1.00 0.00 O ATOM 719 CB ILE A 46 -18.759 -6.547 25.006 1.00 0.00 C ATOM 720 CG1 ILE A 46 -19.262 -5.714 26.187 1.00 0.00 C ATOM 721 CG2 ILE A 46 -19.339 -7.960 25.094 1.00 0.00 C ATOM 722 CD1 ILE A 46 -20.784 -5.582 26.108 1.00 0.00 C ATOM 0 H ILE A 46 -17.499 -4.501 24.942 1.00 0.00 H new ATOM 0 HA ILE A 46 -16.884 -7.089 25.966 1.00 0.00 H new ATOM 0 HB ILE A 46 -19.076 -6.082 24.073 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -18.976 -6.186 27.127 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.800 -4.727 26.172 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -20.427 -7.909 25.066 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -18.981 -8.553 24.252 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -19.022 -8.426 26.027 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -21.142 -4.989 26.949 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -21.059 -5.091 25.175 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -21.237 -6.573 26.144 1.00 0.00 H new ATOM 734 N LEU A 47 -16.922 -6.975 22.677 1.00 0.00 N ATOM 735 CA LEU A 47 -16.414 -7.701 21.481 1.00 0.00 C ATOM 736 C LEU A 47 -15.303 -6.876 20.829 1.00 0.00 C ATOM 737 O LEU A 47 -14.135 -7.188 20.943 1.00 0.00 O ATOM 738 CB LEU A 47 -17.618 -7.823 20.545 1.00 0.00 C ATOM 739 CG LEU A 47 -18.743 -8.580 21.254 1.00 0.00 C ATOM 740 CD1 LEU A 47 -19.869 -8.869 20.258 1.00 0.00 C ATOM 741 CD2 LEU A 47 -18.200 -9.900 21.807 1.00 0.00 C ATOM 0 H LEU A 47 -17.438 -6.119 22.475 1.00 0.00 H new ATOM 0 HA LEU A 47 -15.999 -8.679 21.723 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -17.963 -6.832 20.248 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -17.331 -8.347 19.633 1.00 0.00 H new ATOM 0 HG LEU A 47 -19.129 -7.974 22.074 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -20.671 -9.408 20.762 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -20.256 -7.929 19.863 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -19.483 -9.475 19.439 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -19.001 -10.440 22.312 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.814 -10.507 20.988 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -17.398 -9.695 22.516 1.00 0.00 H new ATOM 753 N CYS A 48 -15.660 -5.818 20.152 1.00 0.00 N ATOM 754 CA CYS A 48 -14.629 -4.963 19.499 1.00 0.00 C ATOM 755 C CYS A 48 -15.096 -3.503 19.491 1.00 0.00 C ATOM 756 O CYS A 48 -16.276 -3.221 19.427 1.00 0.00 O ATOM 757 CB CYS A 48 -14.509 -5.501 18.072 1.00 0.00 C ATOM 758 SG CYS A 48 -13.254 -6.804 18.023 1.00 0.00 S ATOM 0 H CYS A 48 -16.623 -5.509 20.023 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.672 -4.991 20.020 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.469 -5.893 17.738 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.239 -4.695 17.389 1.00 0.00 H new ATOM 763 N SER A 49 -14.181 -2.575 19.561 1.00 0.00 N ATOM 764 CA SER A 49 -14.577 -1.137 19.565 1.00 0.00 C ATOM 765 C SER A 49 -15.340 -0.786 18.286 1.00 0.00 C ATOM 766 O SER A 49 -16.408 -0.209 18.325 1.00 0.00 O ATOM 767 CB SER A 49 -13.260 -0.364 19.632 1.00 0.00 C ATOM 768 OG SER A 49 -13.531 1.017 19.821 1.00 0.00 O ATOM 0 H SER A 49 -13.178 -2.749 19.616 1.00 0.00 H new ATOM 0 HA SER A 49 -15.236 -0.897 20.399 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.646 -0.740 20.450 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.692 -0.512 18.713 1.00 0.00 H new ATOM 0 HG SER A 49 -12.749 1.544 19.553 1.00 0.00 H new ATOM 774 N ASN A 50 -14.796 -1.125 17.154 1.00 0.00 N ATOM 775 CA ASN A 50 -15.483 -0.809 15.870 1.00 0.00 C ATOM 776 C ASN A 50 -16.592 -1.832 15.591 1.00 0.00 C ATOM 777 O ASN A 50 -16.323 -3.006 15.436 1.00 0.00 O ATOM 778 CB ASN A 50 -14.387 -0.905 14.808 1.00 0.00 C ATOM 779 CG ASN A 50 -13.669 0.440 14.696 1.00 0.00 C ATOM 780 OD1 ASN A 50 -12.590 0.612 15.227 1.00 0.00 O ATOM 781 ND2 ASN A 50 -14.226 1.410 14.023 1.00 0.00 N ATOM 0 H ASN A 50 -13.903 -1.609 17.060 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.957 0.172 15.885 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.676 -1.688 15.073 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.820 -1.180 13.846 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.755 2.311 13.943 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.132 1.267 13.577 1.00 0.00 H new ATOM 788 N PRO A 51 -17.810 -1.349 15.530 1.00 0.00 N ATOM 789 CA PRO A 51 -18.971 -2.230 15.262 1.00 0.00 C ATOM 790 C PRO A 51 -18.816 -2.921 13.904 1.00 0.00 C ATOM 791 O PRO A 51 -19.545 -3.834 13.571 1.00 0.00 O ATOM 792 CB PRO A 51 -20.145 -1.247 15.251 1.00 0.00 C ATOM 793 CG PRO A 51 -19.605 0.172 15.520 1.00 0.00 C ATOM 794 CD PRO A 51 -18.087 0.094 15.723 1.00 0.00 C ATOM 0 HA PRO A 51 -19.091 -3.032 15.990 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.657 -1.280 14.289 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.876 -1.523 16.011 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -19.840 0.830 14.684 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.082 0.596 16.403 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.549 0.710 15.002 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.793 0.434 16.716 1.00 0.00 H new ATOM 802 N ASN A 52 -17.865 -2.492 13.121 1.00 0.00 N ATOM 803 CA ASN A 52 -17.652 -3.122 11.788 1.00 0.00 C ATOM 804 C ASN A 52 -16.153 -3.292 11.537 1.00 0.00 C ATOM 805 O ASN A 52 -15.660 -3.048 10.454 1.00 0.00 O ATOM 806 CB ASN A 52 -18.261 -2.143 10.784 1.00 0.00 C ATOM 807 CG ASN A 52 -19.773 -2.067 11.004 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.379 -3.006 11.477 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.412 -0.976 10.678 1.00 0.00 N ATOM 0 H ASN A 52 -17.225 -1.731 13.347 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.107 -4.109 11.711 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.814 -1.156 10.905 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.046 -2.468 9.766 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.420 -0.913 10.821 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.903 -0.186 10.280 1.00 0.00 H new ATOM 816 N PHE A 53 -15.430 -3.714 12.536 1.00 0.00 N ATOM 817 CA PHE A 53 -13.961 -3.910 12.372 1.00 0.00 C ATOM 818 C PHE A 53 -13.697 -5.246 11.675 1.00 0.00 C ATOM 819 O PHE A 53 -14.626 -5.944 11.319 1.00 0.00 O ATOM 820 CB PHE A 53 -13.413 -3.916 13.804 1.00 0.00 C ATOM 821 CG PHE A 53 -13.368 -5.334 14.328 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.549 -6.077 14.425 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.146 -5.907 14.709 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.511 -7.391 14.905 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.110 -7.224 15.188 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.293 -7.964 15.284 1.00 0.00 C ATOM 0 H PHE A 53 -15.794 -3.933 13.463 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.490 -3.138 11.763 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.414 -3.479 13.823 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.042 -3.301 14.447 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.490 -5.637 14.130 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.234 -5.334 14.633 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.424 -7.963 14.983 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.170 -7.667 15.483 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.266 -8.979 15.651 1.00 0.00 H new ATOM 836 N PRO A 54 -12.441 -5.574 11.516 1.00 0.00 N ATOM 837 CA PRO A 54 -12.072 -6.854 10.876 1.00 0.00 C ATOM 838 C PRO A 54 -12.687 -8.017 11.658 1.00 0.00 C ATOM 839 O PRO A 54 -12.008 -8.737 12.358 1.00 0.00 O ATOM 840 CB PRO A 54 -10.544 -6.848 10.971 1.00 0.00 C ATOM 841 CG PRO A 54 -10.094 -5.536 11.644 1.00 0.00 C ATOM 842 CD PRO A 54 -11.335 -4.694 11.963 1.00 0.00 C ATOM 0 HA PRO A 54 -12.425 -6.966 9.851 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.198 -7.706 11.548 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.104 -6.933 9.978 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.539 -5.751 12.557 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.423 -4.985 10.985 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.406 -4.461 13.025 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.330 -3.744 11.428 1.00 0.00 H new ATOM 850 N GLU A 55 -13.978 -8.189 11.551 1.00 0.00 N ATOM 851 CA GLU A 55 -14.658 -9.289 12.291 1.00 0.00 C ATOM 852 C GLU A 55 -13.801 -10.558 12.262 1.00 0.00 C ATOM 853 O GLU A 55 -13.731 -11.291 13.227 1.00 0.00 O ATOM 854 CB GLU A 55 -15.979 -9.499 11.555 1.00 0.00 C ATOM 855 CG GLU A 55 -15.709 -10.122 10.184 1.00 0.00 C ATOM 856 CD GLU A 55 -17.020 -10.226 9.402 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.048 -9.880 9.961 1.00 0.00 O ATOM 858 OE2 GLU A 55 -16.974 -10.649 8.259 1.00 0.00 O ATOM 0 H GLU A 55 -14.593 -7.610 10.979 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.817 -9.049 13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.633 -10.148 12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.497 -8.547 11.438 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.991 -9.515 9.632 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.265 -11.110 10.303 1.00 0.00 H new ATOM 865 N GLU A 56 -13.137 -10.813 11.169 1.00 0.00 N ATOM 866 CA GLU A 56 -12.275 -12.027 11.096 1.00 0.00 C ATOM 867 C GLU A 56 -11.292 -12.022 12.272 1.00 0.00 C ATOM 868 O GLU A 56 -10.711 -13.031 12.621 1.00 0.00 O ATOM 869 CB GLU A 56 -11.532 -11.905 9.765 1.00 0.00 C ATOM 870 CG GLU A 56 -12.542 -11.920 8.616 1.00 0.00 C ATOM 871 CD GLU A 56 -11.798 -11.868 7.279 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.598 -11.650 7.300 1.00 0.00 O ATOM 873 OE2 GLU A 56 -12.441 -12.047 6.258 1.00 0.00 O ATOM 0 H GLU A 56 -13.153 -10.237 10.327 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.843 -12.956 11.152 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.953 -10.982 9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.825 -12.728 9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.154 -12.820 8.668 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.218 -11.069 8.701 1.00 0.00 H new ATOM 880 N LEU A 57 -11.112 -10.884 12.887 1.00 0.00 N ATOM 881 CA LEU A 57 -10.180 -10.781 14.045 1.00 0.00 C ATOM 882 C LEU A 57 -10.971 -10.864 15.353 1.00 0.00 C ATOM 883 O LEU A 57 -10.449 -10.649 16.432 1.00 0.00 O ATOM 884 CB LEU A 57 -9.528 -9.409 13.894 1.00 0.00 C ATOM 885 CG LEU A 57 -8.489 -9.473 12.776 1.00 0.00 C ATOM 886 CD1 LEU A 57 -9.191 -9.665 11.430 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.680 -8.174 12.754 1.00 0.00 C ATOM 0 H LEU A 57 -11.577 -10.012 12.633 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.441 -11.582 14.067 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.283 -8.657 13.664 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.056 -9.111 14.830 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.818 -10.314 12.954 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.447 -9.710 10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.761 -10.594 11.446 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.865 -8.828 11.249 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.939 -8.220 11.956 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.349 -7.332 12.579 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.175 -8.044 13.711 1.00 0.00 H new ATOM 899 N LYS A 58 -12.233 -11.175 15.252 1.00 0.00 N ATOM 900 CA LYS A 58 -13.086 -11.283 16.470 1.00 0.00 C ATOM 901 C LYS A 58 -12.318 -11.953 17.611 1.00 0.00 C ATOM 902 O LYS A 58 -12.259 -11.423 18.703 1.00 0.00 O ATOM 903 CB LYS A 58 -14.278 -12.141 16.047 1.00 0.00 C ATOM 904 CG LYS A 58 -15.571 -11.369 16.310 1.00 0.00 C ATOM 905 CD LYS A 58 -16.576 -11.659 15.194 1.00 0.00 C ATOM 906 CE LYS A 58 -17.565 -10.497 15.087 1.00 0.00 C ATOM 907 NZ LYS A 58 -18.861 -11.132 14.719 1.00 0.00 N ATOM 0 H LYS A 58 -12.714 -11.360 14.372 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.397 -10.305 16.837 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.201 -12.396 14.990 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.281 -13.079 16.602 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.989 -11.658 17.274 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.365 -10.300 16.359 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.055 -11.796 14.247 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.109 -12.587 15.401 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.643 -9.956 16.030 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.249 -9.777 14.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.593 -10.399 14.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.757 -11.634 13.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.139 -11.807 15.459 1.00 0.00 H new ATOM 921 N PRO A 59 -11.749 -13.098 17.333 1.00 0.00 N ATOM 922 CA PRO A 59 -10.982 -13.825 18.364 1.00 0.00 C ATOM 923 C PRO A 59 -9.911 -12.911 18.963 1.00 0.00 C ATOM 924 O PRO A 59 -9.707 -12.886 20.162 1.00 0.00 O ATOM 925 CB PRO A 59 -10.370 -14.986 17.576 1.00 0.00 C ATOM 926 CG PRO A 59 -10.831 -14.881 16.109 1.00 0.00 C ATOM 927 CD PRO A 59 -11.831 -13.721 15.990 1.00 0.00 C ATOM 0 HA PRO A 59 -11.579 -14.166 19.210 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.282 -14.951 17.634 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.682 -15.939 18.003 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.976 -14.711 15.455 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.295 -15.814 15.791 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.553 -13.023 15.200 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.838 -14.073 15.765 1.00 0.00 H new ATOM 935 N LEU A 60 -9.228 -12.153 18.148 1.00 0.00 N ATOM 936 CA LEU A 60 -8.183 -11.245 18.692 1.00 0.00 C ATOM 937 C LEU A 60 -8.803 -10.293 19.716 1.00 0.00 C ATOM 938 O LEU A 60 -8.232 -10.027 20.754 1.00 0.00 O ATOM 939 CB LEU A 60 -7.660 -10.466 17.484 1.00 0.00 C ATOM 940 CG LEU A 60 -7.027 -11.434 16.480 1.00 0.00 C ATOM 941 CD1 LEU A 60 -6.164 -10.649 15.488 1.00 0.00 C ATOM 942 CD2 LEU A 60 -6.151 -12.445 17.224 1.00 0.00 C ATOM 0 H LEU A 60 -9.349 -12.124 17.136 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.385 -11.788 19.198 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.475 -9.919 17.011 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.925 -9.728 17.805 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.814 -11.962 15.942 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.713 -11.338 14.773 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.785 -9.929 14.956 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.378 -10.121 16.028 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.701 -13.133 16.508 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.364 -11.917 17.763 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.763 -13.006 17.931 1.00 0.00 H new ATOM 954 N CYS A 61 -9.971 -9.781 19.439 1.00 0.00 N ATOM 955 CA CYS A 61 -10.617 -8.851 20.408 1.00 0.00 C ATOM 956 C CYS A 61 -11.046 -9.612 21.667 1.00 0.00 C ATOM 957 O CYS A 61 -11.115 -9.056 22.745 1.00 0.00 O ATOM 958 CB CYS A 61 -11.838 -8.296 19.675 1.00 0.00 C ATOM 959 SG CYS A 61 -11.363 -7.778 18.006 1.00 0.00 S ATOM 0 H CYS A 61 -10.503 -9.965 18.589 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.942 -8.058 20.730 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.619 -9.055 19.623 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.251 -7.451 20.225 1.00 0.00 H new ATOM 964 N LYS A 62 -11.334 -10.878 21.538 1.00 0.00 N ATOM 965 CA LYS A 62 -11.757 -11.671 22.730 1.00 0.00 C ATOM 966 C LYS A 62 -10.532 -12.255 23.438 1.00 0.00 C ATOM 967 O LYS A 62 -10.651 -13.029 24.368 1.00 0.00 O ATOM 968 CB LYS A 62 -12.638 -12.789 22.175 1.00 0.00 C ATOM 969 CG LYS A 62 -13.238 -13.585 23.336 1.00 0.00 C ATOM 970 CD LYS A 62 -14.150 -14.683 22.785 1.00 0.00 C ATOM 971 CE LYS A 62 -13.307 -15.723 22.044 1.00 0.00 C ATOM 972 NZ LYS A 62 -14.141 -16.126 20.876 1.00 0.00 N ATOM 0 H LYS A 62 -11.295 -11.398 20.661 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.288 -11.062 23.462 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.433 -12.369 21.558 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.050 -13.446 21.534 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.443 -14.026 23.938 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.804 -12.922 23.991 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.699 -15.157 23.599 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.890 -14.252 22.111 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.353 -15.304 21.723 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.081 -16.577 22.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.632 -16.839 20.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.039 -16.527 21.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.334 -15.293 20.284 1.00 0.00 H new ATOM 986 N GLU A 63 -9.357 -11.888 23.009 1.00 0.00 N ATOM 987 CA GLU A 63 -8.130 -12.422 23.664 1.00 0.00 C ATOM 988 C GLU A 63 -7.408 -11.298 24.422 1.00 0.00 C ATOM 989 O GLU A 63 -7.403 -10.164 23.988 1.00 0.00 O ATOM 990 CB GLU A 63 -7.273 -12.979 22.521 1.00 0.00 C ATOM 991 CG GLU A 63 -6.263 -11.933 22.047 1.00 0.00 C ATOM 992 CD GLU A 63 -5.308 -12.575 21.039 1.00 0.00 C ATOM 993 OE1 GLU A 63 -4.374 -13.230 21.471 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.527 -12.403 19.852 1.00 0.00 O ATOM 0 H GLU A 63 -9.193 -11.243 22.236 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.349 -13.196 24.400 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.748 -13.874 22.855 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.913 -13.277 21.691 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.782 -11.091 21.589 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.704 -11.539 22.896 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.835 -11.651 25.543 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.118 -10.663 26.387 1.00 0.00 C ATOM 1003 C PRO A 64 -4.964 -10.013 25.616 1.00 0.00 C ATOM 1004 O PRO A 64 -4.532 -8.924 25.937 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.597 -11.525 27.540 1.00 0.00 C ATOM 1006 CG PRO A 64 -6.044 -12.983 27.314 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.870 -13.052 26.023 1.00 0.00 C ATOM 0 HA PRO A 64 -6.746 -9.835 26.715 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.510 -11.468 27.592 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.982 -11.156 28.491 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.175 -13.637 27.242 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.636 -13.332 28.160 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.434 -13.740 25.299 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.889 -13.391 26.211 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.461 -10.668 24.608 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.334 -10.079 23.829 1.00 0.00 C ATOM 1017 C ASN A 65 -3.859 -9.101 22.770 1.00 0.00 C ATOM 1018 O ASN A 65 -3.094 -8.447 22.090 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.650 -11.273 23.163 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.172 -12.250 24.237 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -1.689 -11.842 25.274 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -2.287 -13.534 24.031 1.00 0.00 N ATOM 0 H ASN A 65 -4.779 -11.583 24.289 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.651 -9.514 24.463 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.343 -11.771 22.485 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.806 -10.934 22.563 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.971 -14.195 24.741 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.693 -13.876 23.160 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.152 -8.991 22.623 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.702 -8.050 21.604 1.00 0.00 C ATOM 1031 C ALA A 66 -5.081 -6.663 21.781 1.00 0.00 C ATOM 1032 O ALA A 66 -4.767 -5.987 20.822 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.206 -7.999 21.871 1.00 0.00 C ATOM 0 H ALA A 66 -5.848 -9.508 23.160 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.483 -8.373 20.586 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.679 -7.324 21.158 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.629 -8.998 21.762 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.384 -7.639 22.884 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.897 -6.236 23.000 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.291 -4.894 23.233 1.00 0.00 C ATOM 1041 C GLN A 67 -2.958 -4.788 22.490 1.00 0.00 C ATOM 1042 O GLN A 67 -2.667 -3.794 21.854 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.070 -4.814 24.743 1.00 0.00 C ATOM 1044 CG GLN A 67 -3.706 -3.378 25.128 1.00 0.00 C ATOM 1045 CD GLN A 67 -3.270 -3.338 26.594 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -4.062 -3.582 27.483 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -2.035 -3.037 26.886 1.00 0.00 N ATOM 0 H GLN A 67 -5.139 -6.757 23.843 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.925 -4.084 22.873 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.971 -5.126 25.271 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.273 -5.495 25.042 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.903 -3.011 24.489 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.562 -2.721 24.974 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.370 -2.832 26.140 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.734 -3.006 27.860 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.146 -5.808 22.560 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.834 -5.767 21.855 1.00 0.00 C ATOM 1058 C GLU A 68 -1.026 -6.080 20.369 1.00 0.00 C ATOM 1059 O GLU A 68 -0.355 -5.533 19.517 1.00 0.00 O ATOM 1060 CB GLU A 68 0.013 -6.848 22.527 1.00 0.00 C ATOM 1061 CG GLU A 68 0.219 -6.493 24.000 1.00 0.00 C ATOM 1062 CD GLU A 68 1.110 -7.547 24.660 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.372 -8.555 24.024 1.00 0.00 O ATOM 1064 OE2 GLU A 68 1.514 -7.330 25.790 1.00 0.00 O ATOM 0 H GLU A 68 -2.335 -6.668 23.075 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.362 -4.786 21.916 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.480 -7.817 22.441 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.976 -6.935 22.025 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.678 -5.508 24.087 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.743 -6.443 24.511 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.944 -6.954 20.051 1.00 0.00 N ATOM 1072 CA ILE A 69 -2.180 -7.297 18.620 1.00 0.00 C ATOM 1073 C ILE A 69 -2.772 -6.092 17.885 1.00 0.00 C ATOM 1074 O ILE A 69 -2.269 -5.668 16.864 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.182 -8.451 18.641 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.547 -9.667 19.317 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.573 -8.810 17.206 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.599 -10.766 19.485 1.00 0.00 C ATOM 0 H ILE A 69 -2.539 -7.444 20.719 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.259 -7.570 18.105 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.071 -8.151 19.197 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.714 -10.035 18.718 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.142 -9.386 20.289 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.288 -9.633 17.219 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.026 -7.943 16.725 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.684 -9.110 16.651 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.146 -11.633 19.967 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.418 -10.395 20.101 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.983 -11.054 18.507 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.835 -5.539 18.400 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.457 -4.361 17.734 1.00 0.00 C ATOM 1092 C LEU A 70 -3.372 -3.379 17.286 1.00 0.00 C ATOM 1093 O LEU A 70 -3.250 -3.066 16.119 1.00 0.00 O ATOM 1094 CB LEU A 70 -5.357 -3.730 18.799 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.964 -2.425 18.268 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -5.034 -1.258 18.604 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -6.144 -2.513 16.750 1.00 0.00 C ATOM 0 H LEU A 70 -4.299 -5.852 19.253 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.021 -4.637 16.843 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.151 -4.424 19.074 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.781 -3.531 19.703 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.936 -2.266 18.735 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.464 -0.330 18.227 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.913 -1.189 19.685 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.062 -1.422 18.139 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.575 -1.583 16.380 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.175 -2.677 16.278 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.809 -3.342 16.510 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.573 -2.896 18.200 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.496 -1.943 17.812 1.00 0.00 C ATOM 1111 C GLN A 71 -0.671 -2.530 16.664 1.00 0.00 C ATOM 1112 O GLN A 71 -0.514 -1.922 15.625 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.633 -1.782 19.063 1.00 0.00 C ATOM 1114 CG GLN A 71 -1.464 -1.143 20.177 1.00 0.00 C ATOM 1115 CD GLN A 71 -0.566 -0.828 21.376 1.00 0.00 C ATOM 1116 OE1 GLN A 71 -1.005 -0.218 22.332 1.00 0.00 O ATOM 1117 NE2 GLN A 71 0.680 -1.218 21.370 1.00 0.00 N ATOM 0 H GLN A 71 -2.620 -3.120 19.194 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.892 -0.987 17.469 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.257 -2.753 19.386 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.236 -1.162 18.841 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.935 -0.230 19.814 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.266 -1.817 20.478 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.050 -1.730 20.569 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.283 -1.011 22.166 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.146 -3.711 16.848 1.00 0.00 N ATOM 1127 CA ARG A 72 0.666 -4.340 15.767 1.00 0.00 C ATOM 1128 C ARG A 72 -0.097 -4.277 14.443 1.00 0.00 C ATOM 1129 O ARG A 72 0.385 -3.748 13.460 1.00 0.00 O ATOM 1130 CB ARG A 72 0.860 -5.791 16.210 1.00 0.00 C ATOM 1131 CG ARG A 72 1.862 -6.481 15.281 1.00 0.00 C ATOM 1132 CD ARG A 72 2.031 -7.941 15.708 1.00 0.00 C ATOM 1133 NE ARG A 72 2.540 -7.872 17.108 1.00 0.00 N ATOM 1134 CZ ARG A 72 3.586 -7.143 17.388 1.00 0.00 C ATOM 1135 NH1 ARG A 72 4.707 -7.339 16.748 1.00 0.00 N ATOM 1136 NH2 ARG A 72 3.512 -6.219 18.306 1.00 0.00 N ATOM 0 H ARG A 72 -0.244 -4.266 17.698 1.00 0.00 H new ATOM 0 HA ARG A 72 1.619 -3.835 15.612 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.220 -5.823 17.238 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.093 -6.319 16.190 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.513 -6.431 14.250 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.822 -5.967 15.318 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.085 -8.480 15.657 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.732 -8.465 15.058 1.00 0.00 H new ATOM 0 HE ARG A 72 2.070 -8.395 17.847 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.765 -8.061 16.030 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.525 -6.770 16.966 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.636 -6.066 18.806 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.330 -5.650 18.524 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.288 -4.807 14.413 1.00 0.00 N ATOM 1151 CA LEU A 73 -2.086 -4.773 13.156 1.00 0.00 C ATOM 1152 C LEU A 73 -2.078 -3.360 12.573 1.00 0.00 C ATOM 1153 O LEU A 73 -1.863 -3.164 11.394 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.502 -5.169 13.576 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.491 -6.596 14.125 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.926 -7.044 14.405 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.856 -7.534 13.097 1.00 0.00 C ATOM 0 H LEU A 73 -1.743 -5.262 15.204 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.687 -5.439 12.391 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.874 -4.479 14.334 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.178 -5.101 12.724 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.913 -6.626 15.049 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.920 -8.061 14.796 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.379 -6.376 15.137 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.503 -7.014 13.481 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.848 -8.551 13.489 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.433 -7.505 12.173 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.833 -7.215 12.896 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.315 -2.374 13.393 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.325 -0.972 12.889 1.00 0.00 C ATOM 1171 C GLU A 74 -1.001 -0.654 12.188 1.00 0.00 C ATOM 1172 O GLU A 74 -0.979 -0.076 11.120 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.491 -0.100 14.134 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.852 -0.374 14.776 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.963 -0.083 13.764 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -4.694 0.625 12.806 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -6.062 -0.573 13.963 1.00 0.00 O ATOM 0 H GLU A 74 -2.502 -2.478 14.390 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.121 -0.802 12.164 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.693 -0.310 14.846 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.410 0.953 13.866 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.908 -1.412 15.105 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.980 0.249 15.661 1.00 0.00 H new ATOM 1184 N GLU A 75 0.105 -1.022 12.780 1.00 0.00 N ATOM 1185 CA GLU A 75 1.423 -0.733 12.145 1.00 0.00 C ATOM 1186 C GLU A 75 1.533 -1.448 10.796 1.00 0.00 C ATOM 1187 O GLU A 75 1.792 -0.834 9.780 1.00 0.00 O ATOM 1188 CB GLU A 75 2.458 -1.282 13.128 1.00 0.00 C ATOM 1189 CG GLU A 75 3.862 -0.899 12.658 1.00 0.00 C ATOM 1190 CD GLU A 75 4.901 -1.525 13.590 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.499 -2.215 14.513 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.079 -1.305 13.365 1.00 0.00 O ATOM 0 H GLU A 75 0.152 -1.510 13.675 1.00 0.00 H new ATOM 0 HA GLU A 75 1.564 0.330 11.950 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.275 -0.882 14.126 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.370 -2.366 13.198 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.021 -1.242 11.636 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.971 0.185 12.650 1.00 0.00 H new ATOM 1199 N ILE A 76 1.334 -2.737 10.775 1.00 0.00 N ATOM 1200 CA ILE A 76 1.425 -3.477 9.483 1.00 0.00 C ATOM 1201 C ILE A 76 0.388 -2.930 8.502 1.00 0.00 C ATOM 1202 O ILE A 76 0.600 -2.907 7.306 1.00 0.00 O ATOM 1203 CB ILE A 76 1.126 -4.935 9.831 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.215 -5.468 10.766 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.102 -5.768 8.549 1.00 0.00 C ATOM 1206 CD1 ILE A 76 2.109 -6.992 10.858 1.00 0.00 C ATOM 0 H ILE A 76 1.114 -3.308 11.591 1.00 0.00 H new ATOM 0 HA ILE A 76 2.402 -3.373 9.011 1.00 0.00 H new ATOM 0 HB ILE A 76 0.157 -5.001 10.326 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.199 -5.183 10.394 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.108 -5.025 11.756 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.889 -6.808 8.795 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.329 -5.387 7.882 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.071 -5.703 8.055 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.884 -7.371 11.524 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.129 -7.266 11.249 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.238 -7.426 9.867 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.727 -2.474 9.002 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.772 -1.911 8.101 1.00 0.00 C ATOM 1220 C ALA A 77 -1.225 -0.659 7.413 1.00 0.00 C ATOM 1221 O ALA A 77 -1.566 -0.354 6.289 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.941 -1.555 9.019 1.00 0.00 C ATOM 0 H ALA A 77 -0.960 -2.467 9.995 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.076 -2.608 7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.753 -1.133 8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.291 -2.453 9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.613 -0.824 9.759 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.370 0.061 8.087 1.00 0.00 N ATOM 1229 CA GLU A 78 0.217 1.292 7.484 1.00 0.00 C ATOM 1230 C GLU A 78 1.542 0.949 6.799 1.00 0.00 C ATOM 1231 O GLU A 78 2.328 1.814 6.470 1.00 0.00 O ATOM 1232 CB GLU A 78 0.454 2.230 8.667 1.00 0.00 C ATOM 1233 CG GLU A 78 0.866 3.610 8.151 1.00 0.00 C ATOM 1234 CD GLU A 78 1.282 4.492 9.330 1.00 0.00 C ATOM 1235 OE1 GLU A 78 1.242 4.008 10.449 1.00 0.00 O ATOM 1236 OE2 GLU A 78 1.632 5.636 9.094 1.00 0.00 O ATOM 0 H GLU A 78 -0.052 -0.151 9.033 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.430 1.741 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.452 2.310 9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.231 1.826 9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.691 3.515 7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.038 4.071 7.613 1.00 0.00 H new ATOM 1243 N ASP A 79 1.791 -0.313 6.584 1.00 0.00 N ATOM 1244 CA ASP A 79 3.062 -0.726 5.920 1.00 0.00 C ATOM 1245 C ASP A 79 3.097 -2.249 5.761 1.00 0.00 C ATOM 1246 O ASP A 79 2.958 -2.974 6.726 1.00 0.00 O ATOM 1247 CB ASP A 79 4.172 -0.270 6.864 1.00 0.00 C ATOM 1248 CG ASP A 79 5.531 -0.488 6.196 1.00 0.00 C ATOM 1249 OD1 ASP A 79 5.858 -1.632 5.925 1.00 0.00 O ATOM 1250 OD2 ASP A 79 6.222 0.491 5.966 1.00 0.00 O ATOM 0 H ASP A 79 1.168 -1.079 6.840 1.00 0.00 H new ATOM 0 HA ASP A 79 3.168 -0.292 4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.042 0.783 7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.121 -0.828 7.799 1.00 0.00 H new ATOM 1255 N PRO A 80 3.284 -2.690 4.544 1.00 0.00 N ATOM 1256 CA PRO A 80 3.339 -4.143 4.258 1.00 0.00 C ATOM 1257 C PRO A 80 4.506 -4.798 4.999 1.00 0.00 C ATOM 1258 O PRO A 80 4.314 -5.660 5.835 1.00 0.00 O ATOM 1259 CB PRO A 80 3.561 -4.177 2.743 1.00 0.00 C ATOM 1260 CG PRO A 80 3.626 -2.729 2.218 1.00 0.00 C ATOM 1261 CD PRO A 80 3.447 -1.766 3.398 1.00 0.00 C ATOM 0 HA PRO A 80 2.449 -4.685 4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.485 -4.705 2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.751 -4.719 2.255 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.582 -2.549 1.726 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.847 -2.562 1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.310 -1.113 3.523 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.577 -1.123 3.268 1.00 0.00 H new ATOM 1269 N GLY A 81 5.712 -4.407 4.701 1.00 0.00 N ATOM 1270 CA GLY A 81 6.881 -5.020 5.388 1.00 0.00 C ATOM 1271 C GLY A 81 7.245 -6.328 4.684 1.00 0.00 C ATOM 1272 O GLY A 81 7.220 -6.419 3.472 1.00 0.00 O ATOM 0 H GLY A 81 5.939 -3.690 4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.729 -4.335 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.645 -5.209 6.435 1.00 0.00 H new ATOM 1276 N THR A 82 7.578 -7.342 5.430 1.00 0.00 N ATOM 1277 CA THR A 82 7.938 -8.644 4.800 1.00 0.00 C ATOM 1278 C THR A 82 6.670 -9.406 4.408 1.00 0.00 C ATOM 1279 O THR A 82 6.690 -10.269 3.553 1.00 0.00 O ATOM 1280 CB THR A 82 8.710 -9.403 5.879 1.00 0.00 C ATOM 1281 OG1 THR A 82 7.858 -9.635 6.993 1.00 0.00 O ATOM 1282 CG2 THR A 82 9.918 -8.578 6.323 1.00 0.00 C ATOM 0 H THR A 82 7.617 -7.327 6.449 1.00 0.00 H new ATOM 0 HA THR A 82 8.527 -8.518 3.891 1.00 0.00 H new ATOM 0 HB THR A 82 9.053 -10.356 5.477 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.401 -9.823 7.787 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.467 -9.121 7.092 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.571 -8.400 5.469 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.579 -7.623 6.725 1.00 0.00 H new ATOM 1290 N CYS A 83 5.565 -9.094 5.027 1.00 0.00 N ATOM 1291 CA CYS A 83 4.302 -9.805 4.686 1.00 0.00 C ATOM 1292 C CYS A 83 4.034 -9.704 3.183 1.00 0.00 C ATOM 1293 O CYS A 83 3.836 -10.696 2.507 1.00 0.00 O ATOM 1294 CB CYS A 83 3.208 -9.089 5.478 1.00 0.00 C ATOM 1295 SG CYS A 83 1.753 -10.160 5.593 1.00 0.00 S ATOM 0 H CYS A 83 5.482 -8.380 5.751 1.00 0.00 H new ATOM 0 HA CYS A 83 4.347 -10.866 4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.570 -8.839 6.476 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.945 -8.150 4.990 1.00 0.00 H new ATOM 1300 N GLU A 84 4.023 -8.512 2.656 1.00 0.00 N ATOM 1301 CA GLU A 84 3.762 -8.338 1.200 1.00 0.00 C ATOM 1302 C GLU A 84 4.785 -9.114 0.364 1.00 0.00 C ATOM 1303 O GLU A 84 4.486 -9.573 -0.721 1.00 0.00 O ATOM 1304 CB GLU A 84 3.902 -6.838 0.953 1.00 0.00 C ATOM 1305 CG GLU A 84 3.476 -6.514 -0.481 1.00 0.00 C ATOM 1306 CD GLU A 84 3.687 -5.022 -0.750 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.141 -4.336 0.150 1.00 0.00 O ATOM 1308 OE2 GLU A 84 3.391 -4.591 -1.853 1.00 0.00 O ATOM 0 H GLU A 84 4.184 -7.647 3.173 1.00 0.00 H new ATOM 0 HA GLU A 84 2.780 -8.716 0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.286 -6.283 1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.934 -6.527 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.056 -7.108 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.429 -6.777 -0.629 1.00 0.00 H new ATOM 1315 N ILE A 85 5.990 -9.260 0.847 1.00 0.00 N ATOM 1316 CA ILE A 85 7.014 -10.003 0.055 1.00 0.00 C ATOM 1317 C ILE A 85 7.144 -11.439 0.568 1.00 0.00 C ATOM 1318 O ILE A 85 8.080 -12.142 0.242 1.00 0.00 O ATOM 1319 CB ILE A 85 8.318 -9.230 0.266 1.00 0.00 C ATOM 1320 CG1 ILE A 85 8.820 -9.447 1.694 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.068 -7.737 0.037 1.00 0.00 C ATOM 1322 CD1 ILE A 85 9.935 -8.445 2.002 1.00 0.00 C ATOM 0 H ILE A 85 6.308 -8.901 1.747 1.00 0.00 H new ATOM 0 HA ILE A 85 6.750 -10.071 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 85 9.068 -9.588 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.000 -9.323 2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.190 -10.466 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 85 8.996 -7.185 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.713 -7.580 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.317 -7.382 0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.293 -8.600 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.758 -8.590 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.550 -7.430 1.903 1.00 0.00 H new ATOM 1334 N CYS A 86 6.211 -11.881 1.366 1.00 0.00 N ATOM 1335 CA CYS A 86 6.280 -13.273 1.895 1.00 0.00 C ATOM 1336 C CYS A 86 7.661 -13.542 2.498 1.00 0.00 C ATOM 1337 O CYS A 86 8.072 -14.674 2.649 1.00 0.00 O ATOM 1338 CB CYS A 86 6.041 -14.171 0.682 1.00 0.00 C ATOM 1339 SG CYS A 86 4.551 -13.628 -0.188 1.00 0.00 S ATOM 0 H CYS A 86 5.404 -11.339 1.675 1.00 0.00 H new ATOM 0 HA CYS A 86 5.549 -13.451 2.684 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.900 -14.132 0.013 1.00 0.00 H new ATOM 0 HB3 CYS A 86 5.932 -15.208 1.000 1.00 0.00 H new ATOM 1344 N ALA A 87 8.380 -12.509 2.844 1.00 0.00 N ATOM 1345 CA ALA A 87 9.733 -12.711 3.437 1.00 0.00 C ATOM 1346 C ALA A 87 9.621 -13.511 4.739 1.00 0.00 C ATOM 1347 O ALA A 87 10.604 -13.982 5.276 1.00 0.00 O ATOM 1348 CB ALA A 87 10.258 -11.302 3.713 1.00 0.00 C ATOM 0 H ALA A 87 8.090 -11.536 2.742 1.00 0.00 H new ATOM 0 HA ALA A 87 10.397 -13.269 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.254 -11.364 4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.308 -10.743 2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.587 -10.793 4.405 1.00 0.00 H new ATOM 1354 N TYR A 88 8.429 -13.669 5.248 1.00 0.00 N ATOM 1355 CA TYR A 88 8.253 -14.440 6.513 1.00 0.00 C ATOM 1356 C TYR A 88 6.837 -15.021 6.586 1.00 0.00 C ATOM 1357 O TYR A 88 6.053 -14.887 5.668 1.00 0.00 O ATOM 1358 CB TYR A 88 8.470 -13.422 7.632 1.00 0.00 C ATOM 1359 CG TYR A 88 9.945 -13.125 7.762 1.00 0.00 C ATOM 1360 CD1 TYR A 88 10.819 -14.109 8.240 1.00 0.00 C ATOM 1361 CD2 TYR A 88 10.438 -11.865 7.406 1.00 0.00 C ATOM 1362 CE1 TYR A 88 12.186 -13.831 8.361 1.00 0.00 C ATOM 1363 CE2 TYR A 88 11.806 -11.587 7.526 1.00 0.00 C ATOM 1364 CZ TYR A 88 12.679 -12.570 8.003 1.00 0.00 C ATOM 1365 OH TYR A 88 14.026 -12.297 8.123 1.00 0.00 O ATOM 0 H TYR A 88 7.570 -13.298 4.843 1.00 0.00 H new ATOM 0 HA TYR A 88 8.946 -15.278 6.584 1.00 0.00 H new ATOM 0 HB2 TYR A 88 7.921 -12.505 7.416 1.00 0.00 H new ATOM 0 HB3 TYR A 88 8.082 -13.812 8.573 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.439 -15.082 8.515 1.00 0.00 H new ATOM 0 HD2 TYR A 88 9.763 -11.106 7.038 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.860 -14.589 8.731 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.186 -10.614 7.250 1.00 0.00 H new ATOM 0 HH TYR A 88 14.201 -11.378 7.831 1.00 0.00 H new ATOM 1375 N ALA A 89 6.507 -15.668 7.670 1.00 0.00 N ATOM 1376 CA ALA A 89 5.144 -16.258 7.802 1.00 0.00 C ATOM 1377 C ALA A 89 4.114 -15.160 8.085 1.00 0.00 C ATOM 1378 O ALA A 89 2.942 -15.427 8.266 1.00 0.00 O ATOM 1379 CB ALA A 89 5.244 -17.217 8.988 1.00 0.00 C ATOM 0 H ALA A 89 7.122 -15.814 8.470 1.00 0.00 H new ATOM 0 HA ALA A 89 4.823 -16.764 6.892 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.278 -17.694 9.152 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.994 -17.979 8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.531 -16.662 9.881 1.00 0.00 H new ATOM 1385 N ALA A 90 4.542 -13.929 8.128 1.00 0.00 N ATOM 1386 CA ALA A 90 3.588 -12.816 8.403 1.00 0.00 C ATOM 1387 C ALA A 90 2.462 -12.803 7.365 1.00 0.00 C ATOM 1388 O ALA A 90 1.327 -12.498 7.673 1.00 0.00 O ATOM 1389 CB ALA A 90 4.425 -11.540 8.298 1.00 0.00 C ATOM 0 H ALA A 90 5.511 -13.645 7.985 1.00 0.00 H new ATOM 0 HA ALA A 90 3.114 -12.917 9.379 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.792 -10.673 8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.229 -11.571 9.033 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.851 -11.466 7.297 1.00 0.00 H new ATOM 1395 N CYS A 91 2.766 -13.126 6.137 1.00 0.00 N ATOM 1396 CA CYS A 91 1.706 -13.124 5.087 1.00 0.00 C ATOM 1397 C CYS A 91 1.427 -14.547 4.601 1.00 0.00 C ATOM 1398 O CYS A 91 2.327 -15.280 4.241 1.00 0.00 O ATOM 1399 CB CYS A 91 2.275 -12.277 3.949 1.00 0.00 C ATOM 1400 SG CYS A 91 1.327 -10.742 3.808 1.00 0.00 S ATOM 0 H CYS A 91 3.697 -13.390 5.816 1.00 0.00 H new ATOM 0 HA CYS A 91 0.762 -12.728 5.463 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.325 -12.053 4.138 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.231 -12.831 3.012 1.00 0.00 H new ATOM 1405 N THR A 92 0.183 -14.942 4.584 1.00 0.00 N ATOM 1406 CA THR A 92 -0.156 -16.317 4.115 1.00 0.00 C ATOM 1407 C THR A 92 -0.819 -16.256 2.737 1.00 0.00 C ATOM 1408 O THR A 92 -1.372 -15.246 2.347 1.00 0.00 O ATOM 1409 CB THR A 92 -1.133 -16.861 5.157 1.00 0.00 C ATOM 1410 OG1 THR A 92 -2.384 -16.200 5.022 1.00 0.00 O ATOM 1411 CG2 THR A 92 -0.572 -16.617 6.558 1.00 0.00 C ATOM 0 H THR A 92 -0.613 -14.373 4.874 1.00 0.00 H new ATOM 0 HA THR A 92 0.726 -16.949 4.015 1.00 0.00 H new ATOM 0 HB THR A 92 -1.271 -17.931 5.004 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.011 -16.547 5.690 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.268 -17.005 7.301 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.387 -17.125 6.659 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.434 -15.547 6.713 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.767 -17.327 1.994 1.00 0.00 N ATOM 1420 CA GLY A 93 -1.393 -17.327 0.641 1.00 0.00 C ATOM 1421 C GLY A 93 -0.310 -17.115 -0.418 1.00 0.00 C ATOM 1422 O GLY A 93 -0.584 -17.077 -1.602 1.00 0.00 O ATOM 0 H GLY A 93 -0.318 -18.202 2.265 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.908 -18.271 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.142 -16.538 0.574 1.00 0.00 H new ATOM 1426 N CYS A 94 0.919 -16.977 -0.001 1.00 0.00 N ATOM 1427 CA CYS A 94 2.021 -16.767 -0.982 1.00 0.00 C ATOM 1428 C CYS A 94 2.519 -18.113 -1.517 1.00 0.00 C ATOM 1429 O CYS A 94 1.960 -19.126 -1.129 1.00 0.00 O ATOM 1430 CB CYS A 94 3.125 -16.064 -0.191 1.00 0.00 C ATOM 1431 SG CYS A 94 4.214 -15.176 -1.332 1.00 0.00 S ATOM 1432 OXT CYS A 94 3.449 -18.107 -2.306 1.00 0.00 O ATOM 0 H CYS A 94 1.208 -17.001 0.977 1.00 0.00 H new ATOM 0 HA CYS A 94 1.700 -16.183 -1.844 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.687 -15.369 0.526 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.698 -16.794 0.381 1.00 0.00 H new TER 1437 CYS A 94