USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 574 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 35 ASN : amide:sc= -2.66! C(o=-2.5!,f=-11!) USER MOD Set 1.2: A 39 LYS NZ :NH3+ -177:sc= 0.21 (180deg=-0.64) USER MOD Single : A 3 SER OG : rot 34:sc= 0.0831 USER MOD Single : A 4 TYR OH : rot 56:sc= 0.671 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0431 USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= 1.21 (180deg=1.2) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0288) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -136:sc= 0.86 (180deg=-0.319) USER MOD Single : A 29 GLN : amide:sc= 0.449 X(o=0.45,f=-0.037) USER MOD Single : A 31 HIS : no HD1:sc= -0.662 K(o=-0.66,f=-2.7) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 1.2 (180deg=0.792) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 1.38 (180deg=1.02) USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.14) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.114) USER MOD Single : A 53 TYR OH : rot 74:sc=0.000541 USER MOD Single : A 57 SER OG : rot 120:sc= -0.289 USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.0735 (180deg=-0.471) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -8.340 2.094 8.523 1.00 0.00 N ATOM 31 CA SER A 3 -7.239 1.200 8.866 1.00 0.00 C ATOM 32 C SER A 3 -6.237 1.104 7.712 1.00 0.00 C ATOM 33 O SER A 3 -5.262 0.353 7.769 1.00 0.00 O ATOM 34 CB SER A 3 -7.781 -0.186 9.219 1.00 0.00 C ATOM 35 OG SER A 3 -8.686 -0.112 10.308 1.00 0.00 O ATOM 0 HA SER A 3 -6.719 1.607 9.733 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.283 -0.616 8.352 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.955 -0.851 9.472 1.00 0.00 H new ATOM 0 HG SER A 3 -9.177 0.735 10.269 1.00 0.00 H new ATOM 41 N TYR A 4 -6.489 1.881 6.664 1.00 0.00 N ATOM 42 CA TYR A 4 -5.596 1.971 5.521 1.00 0.00 C ATOM 43 C TYR A 4 -4.297 2.668 5.910 1.00 0.00 C ATOM 44 O TYR A 4 -3.268 2.487 5.261 1.00 0.00 O ATOM 45 CB TYR A 4 -6.281 2.700 4.366 1.00 0.00 C ATOM 46 CG TYR A 4 -7.501 1.970 3.852 1.00 0.00 C ATOM 47 CD1 TYR A 4 -7.370 0.909 2.965 1.00 0.00 C ATOM 48 CD2 TYR A 4 -8.779 2.330 4.264 1.00 0.00 C ATOM 49 CE1 TYR A 4 -8.478 0.226 2.501 1.00 0.00 C ATOM 50 CE2 TYR A 4 -9.891 1.649 3.807 1.00 0.00 C ATOM 51 CZ TYR A 4 -9.736 0.599 2.925 1.00 0.00 C ATOM 52 OH TYR A 4 -10.840 -0.085 2.473 1.00 0.00 O ATOM 0 H TYR A 4 -7.321 2.466 6.586 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.352 0.961 5.190 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.572 3.698 4.694 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.569 2.828 3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.386 0.613 2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -8.904 3.154 4.951 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.359 -0.595 1.810 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.878 1.937 4.139 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.742 -1.038 2.679 1.00 0.00 H new ATOM 62 N TYR A 5 -4.354 3.477 6.961 1.00 0.00 N ATOM 63 CA TYR A 5 -3.158 4.118 7.489 1.00 0.00 C ATOM 64 C TYR A 5 -2.123 3.048 7.845 1.00 0.00 C ATOM 65 O TYR A 5 -0.918 3.259 7.708 1.00 0.00 O ATOM 66 CB TYR A 5 -3.509 4.962 8.725 1.00 0.00 C ATOM 67 CG TYR A 5 -2.377 5.846 9.209 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.373 5.340 10.023 1.00 0.00 C ATOM 69 CD2 TYR A 5 -2.314 7.184 8.844 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.338 6.141 10.460 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.280 7.992 9.276 1.00 0.00 C ATOM 72 CZ TYR A 5 -0.295 7.465 10.083 1.00 0.00 C ATOM 73 OH TYR A 5 0.744 8.262 10.506 1.00 0.00 O ATOM 0 H TYR A 5 -5.213 3.704 7.462 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.739 4.781 6.732 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -4.371 5.587 8.492 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.808 4.296 9.534 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.402 4.302 10.319 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.085 7.600 8.213 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.434 5.732 11.094 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.244 9.031 8.983 1.00 0.00 H new ATOM 0 HH TYR A 5 0.626 9.168 10.152 1.00 0.00 H new ATOM 83 N GLU A 6 -2.618 1.890 8.279 1.00 0.00 N ATOM 84 CA GLU A 6 -1.763 0.775 8.661 1.00 0.00 C ATOM 85 C GLU A 6 -1.134 0.111 7.439 1.00 0.00 C ATOM 86 O GLU A 6 0.058 -0.198 7.434 1.00 0.00 O ATOM 87 CB GLU A 6 -2.579 -0.258 9.433 1.00 0.00 C ATOM 88 CG GLU A 6 -3.197 0.296 10.698 1.00 0.00 C ATOM 89 CD GLU A 6 -2.174 0.551 11.777 1.00 0.00 C ATOM 90 OE1 GLU A 6 -1.746 -0.420 12.439 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.788 1.718 11.972 1.00 0.00 O ATOM 0 H GLU A 6 -3.616 1.702 8.374 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.962 1.165 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.369 -0.643 8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.937 -1.101 9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.717 1.226 10.468 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.946 -0.404 11.070 1.00 0.00 H new ATOM 98 N ILE A 7 -1.947 -0.105 6.409 1.00 0.00 N ATOM 99 CA ILE A 7 -1.495 -0.804 5.211 1.00 0.00 C ATOM 100 C ILE A 7 -0.541 0.051 4.381 1.00 0.00 C ATOM 101 O ILE A 7 0.438 -0.453 3.831 1.00 0.00 O ATOM 102 CB ILE A 7 -2.686 -1.318 4.352 1.00 0.00 C ATOM 103 CG1 ILE A 7 -3.680 -0.205 3.997 1.00 0.00 C ATOM 104 CG2 ILE A 7 -3.416 -2.430 5.087 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.385 0.521 2.702 1.00 0.00 C ATOM 0 H ILE A 7 -2.922 0.194 6.380 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.939 -1.678 5.550 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.265 -1.694 3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.679 -0.636 3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.695 0.522 4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.248 -2.784 4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.728 -3.254 5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.796 -2.051 6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.140 1.289 2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.401 0.986 2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.401 -0.189 1.875 1.00 0.00 H new ATOM 117 N LEU A 8 -0.826 1.342 4.288 1.00 0.00 N ATOM 118 CA LEU A 8 0.033 2.253 3.554 1.00 0.00 C ATOM 119 C LEU A 8 0.924 3.032 4.517 1.00 0.00 C ATOM 120 O LEU A 8 2.012 2.573 4.873 1.00 0.00 O ATOM 121 CB LEU A 8 -0.800 3.207 2.689 1.00 0.00 C ATOM 122 CG LEU A 8 0.000 4.106 1.743 1.00 0.00 C ATOM 123 CD1 LEU A 8 0.790 3.270 0.752 1.00 0.00 C ATOM 124 CD2 LEU A 8 -0.930 5.053 1.010 1.00 0.00 C ATOM 0 H LEU A 8 -1.644 1.779 4.712 1.00 0.00 H new ATOM 0 HA LEU A 8 0.671 1.669 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.499 2.616 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.396 3.840 3.347 1.00 0.00 H new ATOM 0 HG LEU A 8 0.703 4.692 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.352 3.927 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.481 2.622 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.105 2.660 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.349 5.687 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.652 4.478 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.458 5.676 1.732 1.00 0.00 H new ATOM 136 N ASP A 9 0.429 4.192 4.957 1.00 0.00 N ATOM 137 CA ASP A 9 1.114 5.047 5.934 1.00 0.00 C ATOM 138 C ASP A 9 0.392 6.385 6.050 1.00 0.00 C ATOM 139 O ASP A 9 0.613 7.143 6.996 1.00 0.00 O ATOM 140 CB ASP A 9 2.601 5.274 5.598 1.00 0.00 C ATOM 141 CG ASP A 9 2.839 5.973 4.274 1.00 0.00 C ATOM 142 OD1 ASP A 9 2.895 7.218 4.255 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.018 5.272 3.257 1.00 0.00 O ATOM 0 H ASP A 9 -0.466 4.568 4.643 1.00 0.00 H new ATOM 0 HA ASP A 9 1.085 4.524 6.890 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.056 5.863 6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.110 4.310 5.584 1.00 0.00 H new ATOM 148 N VAL A 10 -0.462 6.676 5.074 1.00 0.00 N ATOM 149 CA VAL A 10 -1.339 7.839 5.133 1.00 0.00 C ATOM 150 C VAL A 10 -2.801 7.396 5.048 1.00 0.00 C ATOM 151 O VAL A 10 -3.105 6.340 4.491 1.00 0.00 O ATOM 152 CB VAL A 10 -1.041 8.847 3.998 1.00 0.00 C ATOM 153 CG1 VAL A 10 0.357 9.426 4.139 1.00 0.00 C ATOM 154 CG2 VAL A 10 -1.215 8.203 2.630 1.00 0.00 C ATOM 0 H VAL A 10 -0.565 6.117 4.227 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.154 8.338 6.084 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.761 9.661 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.542 10.132 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.443 9.941 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.091 8.621 4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.999 8.936 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.530 7.360 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.241 7.851 2.521 1.00 0.00 H new ATOM 164 N PRO A 11 -3.721 8.180 5.628 1.00 0.00 N ATOM 165 CA PRO A 11 -5.142 7.866 5.626 1.00 0.00 C ATOM 166 C PRO A 11 -5.859 8.402 4.385 1.00 0.00 C ATOM 167 O PRO A 11 -5.338 9.257 3.668 1.00 0.00 O ATOM 168 CB PRO A 11 -5.632 8.567 6.890 1.00 0.00 C ATOM 169 CG PRO A 11 -4.750 9.763 7.033 1.00 0.00 C ATOM 170 CD PRO A 11 -3.446 9.441 6.340 1.00 0.00 C ATOM 0 HA PRO A 11 -5.337 6.794 5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.679 8.857 6.800 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.555 7.914 7.759 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.217 10.641 6.586 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.580 9.993 8.085 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.155 10.233 5.650 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.632 9.326 7.055 1.00 0.00 H new ATOM 178 N ARG A 12 -7.075 7.903 4.166 1.00 0.00 N ATOM 179 CA ARG A 12 -7.853 8.211 2.961 1.00 0.00 C ATOM 180 C ARG A 12 -8.344 9.651 2.938 1.00 0.00 C ATOM 181 O ARG A 12 -8.996 10.080 1.986 1.00 0.00 O ATOM 182 CB ARG A 12 -9.050 7.278 2.848 1.00 0.00 C ATOM 183 CG ARG A 12 -9.823 7.105 4.141 1.00 0.00 C ATOM 184 CD ARG A 12 -10.976 6.126 3.977 1.00 0.00 C ATOM 185 NE ARG A 12 -11.954 6.581 2.989 1.00 0.00 N ATOM 186 CZ ARG A 12 -13.194 6.097 2.893 1.00 0.00 C ATOM 187 NH1 ARG A 12 -13.616 5.156 3.732 1.00 0.00 N ATOM 188 NH2 ARG A 12 -14.012 6.560 1.956 1.00 0.00 N ATOM 0 H ARG A 12 -7.550 7.276 4.815 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.183 8.068 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.725 7.661 2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.705 6.301 2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.151 6.750 4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.209 8.071 4.467 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.585 5.154 3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.471 5.987 4.938 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.672 7.311 2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.991 4.800 4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.565 4.791 3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.692 7.284 1.312 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.960 6.192 1.880 1.00 0.00 H new ATOM 202 N SER A 13 -8.075 10.364 4.012 1.00 0.00 N ATOM 203 CA SER A 13 -8.329 11.796 4.079 1.00 0.00 C ATOM 204 C SER A 13 -7.610 12.515 2.938 1.00 0.00 C ATOM 205 O SER A 13 -8.101 13.512 2.402 1.00 0.00 O ATOM 206 CB SER A 13 -7.859 12.344 5.428 1.00 0.00 C ATOM 207 OG SER A 13 -8.301 13.673 5.629 1.00 0.00 O ATOM 0 H SER A 13 -7.675 9.972 4.864 1.00 0.00 H new ATOM 0 HA SER A 13 -9.400 11.970 3.979 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.234 11.709 6.231 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.771 12.310 5.477 1.00 0.00 H new ATOM 0 HG SER A 13 -7.986 13.994 6.500 1.00 0.00 H new ATOM 213 N ALA A 14 -6.450 11.993 2.566 1.00 0.00 N ATOM 214 CA ALA A 14 -5.673 12.534 1.466 1.00 0.00 C ATOM 215 C ALA A 14 -6.286 12.126 0.130 1.00 0.00 C ATOM 216 O ALA A 14 -6.873 11.049 0.010 1.00 0.00 O ATOM 217 CB ALA A 14 -4.237 12.048 1.563 1.00 0.00 C ATOM 0 H ALA A 14 -6.024 11.184 3.019 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.682 13.622 1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.658 12.457 0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.804 12.379 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.217 10.959 1.517 1.00 0.00 H new ATOM 223 N SER A 15 -6.187 13.007 -0.857 1.00 0.00 N ATOM 224 CA SER A 15 -6.685 12.720 -2.198 1.00 0.00 C ATOM 225 C SER A 15 -5.924 11.556 -2.834 1.00 0.00 C ATOM 226 O SER A 15 -4.785 11.284 -2.459 1.00 0.00 O ATOM 227 CB SER A 15 -6.590 13.980 -3.063 1.00 0.00 C ATOM 228 OG SER A 15 -5.400 14.699 -2.784 1.00 0.00 O ATOM 0 H SER A 15 -5.765 13.930 -0.754 1.00 0.00 H new ATOM 0 HA SER A 15 -7.731 12.420 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.614 13.704 -4.117 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.455 14.617 -2.880 1.00 0.00 H new ATOM 0 HG SER A 15 -5.361 15.498 -3.349 1.00 0.00 H new ATOM 234 N ALA A 16 -6.552 10.878 -3.789 1.00 0.00 N ATOM 235 CA ALA A 16 -6.025 9.619 -4.327 1.00 0.00 C ATOM 236 C ALA A 16 -4.571 9.736 -4.786 1.00 0.00 C ATOM 237 O ALA A 16 -3.753 8.858 -4.505 1.00 0.00 O ATOM 238 CB ALA A 16 -6.897 9.132 -5.471 1.00 0.00 C ATOM 0 H ALA A 16 -7.431 11.177 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.046 8.893 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.496 8.197 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.912 8.968 -5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.910 9.881 -6.263 1.00 0.00 H new ATOM 244 N ASP A 17 -4.246 10.831 -5.467 1.00 0.00 N ATOM 245 CA ASP A 17 -2.890 11.048 -5.978 1.00 0.00 C ATOM 246 C ASP A 17 -1.877 11.136 -4.843 1.00 0.00 C ATOM 247 O ASP A 17 -0.732 10.706 -4.981 1.00 0.00 O ATOM 248 CB ASP A 17 -2.820 12.312 -6.831 1.00 0.00 C ATOM 249 CG ASP A 17 -3.543 12.164 -8.155 1.00 0.00 C ATOM 250 OD1 ASP A 17 -3.014 11.490 -9.060 1.00 0.00 O ATOM 251 OD2 ASP A 17 -4.661 12.708 -8.290 1.00 0.00 O ATOM 0 H ASP A 17 -4.901 11.584 -5.679 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.640 10.189 -6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.253 13.144 -6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.776 12.562 -7.018 1.00 0.00 H new ATOM 256 N ASP A 18 -2.307 11.700 -3.728 1.00 0.00 N ATOM 257 CA ASP A 18 -1.458 11.820 -2.546 1.00 0.00 C ATOM 258 C ASP A 18 -1.074 10.430 -2.039 1.00 0.00 C ATOM 259 O ASP A 18 0.078 10.181 -1.671 1.00 0.00 O ATOM 260 CB ASP A 18 -2.191 12.595 -1.452 1.00 0.00 C ATOM 261 CG ASP A 18 -1.253 13.233 -0.450 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.851 14.395 -0.677 1.00 0.00 O ATOM 263 OD2 ASP A 18 -0.929 12.595 0.569 1.00 0.00 O ATOM 0 H ASP A 18 -3.244 12.086 -3.612 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.551 12.362 -2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.804 13.370 -1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.869 11.921 -0.929 1.00 0.00 H new ATOM 268 N ILE A 19 -2.047 9.521 -2.051 1.00 0.00 N ATOM 269 CA ILE A 19 -1.813 8.124 -1.687 1.00 0.00 C ATOM 270 C ILE A 19 -0.825 7.475 -2.654 1.00 0.00 C ATOM 271 O ILE A 19 0.045 6.702 -2.247 1.00 0.00 O ATOM 272 CB ILE A 19 -3.136 7.311 -1.658 1.00 0.00 C ATOM 273 CG1 ILE A 19 -3.882 7.558 -0.351 1.00 0.00 C ATOM 274 CG2 ILE A 19 -2.901 5.821 -1.864 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.635 8.858 -0.339 1.00 0.00 C ATOM 0 H ILE A 19 -3.011 9.729 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.389 8.116 -0.683 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.748 7.658 -2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.580 6.739 -0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.170 7.550 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.855 5.295 -1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.425 5.658 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.254 5.442 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.144 8.975 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.938 9.684 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.370 8.860 -1.144 1.00 0.00 H new ATOM 287 N LYS A 20 -0.954 7.813 -3.935 1.00 0.00 N ATOM 288 CA LYS A 20 -0.043 7.307 -4.958 1.00 0.00 C ATOM 289 C LYS A 20 1.391 7.693 -4.624 1.00 0.00 C ATOM 290 O LYS A 20 2.313 6.894 -4.773 1.00 0.00 O ATOM 291 CB LYS A 20 -0.399 7.867 -6.335 1.00 0.00 C ATOM 292 CG LYS A 20 -1.824 7.595 -6.780 1.00 0.00 C ATOM 293 CD LYS A 20 -2.117 8.303 -8.091 1.00 0.00 C ATOM 294 CE LYS A 20 -3.587 8.235 -8.464 1.00 0.00 C ATOM 295 NZ LYS A 20 -3.876 9.043 -9.678 1.00 0.00 N ATOM 0 H LYS A 20 -1.681 8.435 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.139 6.221 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.234 8.944 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.284 7.445 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.976 6.522 -6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.521 7.933 -6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.811 9.346 -8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.521 7.854 -8.886 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.872 7.198 -8.639 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.192 8.596 -7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.810 8.782 -10.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.872 10.053 -9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.149 8.859 -10.398 1.00 0.00 H new ATOM 309 N LYS A 21 1.572 8.926 -4.160 1.00 0.00 N ATOM 310 CA LYS A 21 2.899 9.422 -3.834 1.00 0.00 C ATOM 311 C LYS A 21 3.452 8.703 -2.606 1.00 0.00 C ATOM 312 O LYS A 21 4.647 8.426 -2.531 1.00 0.00 O ATOM 313 CB LYS A 21 2.887 10.933 -3.596 1.00 0.00 C ATOM 314 CG LYS A 21 4.246 11.571 -3.833 1.00 0.00 C ATOM 315 CD LYS A 21 4.617 11.523 -5.307 1.00 0.00 C ATOM 316 CE LYS A 21 6.115 11.394 -5.520 1.00 0.00 C ATOM 317 NZ LYS A 21 6.891 12.469 -4.847 1.00 0.00 N ATOM 0 H LYS A 21 0.818 9.595 -4.003 1.00 0.00 H new ATOM 0 HA LYS A 21 3.546 9.218 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.152 11.395 -4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.568 11.134 -2.573 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.231 12.606 -3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.004 11.052 -3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.111 10.681 -5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.259 12.427 -5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.448 10.425 -5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.328 11.414 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.899 12.369 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.550 13.397 -5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.767 12.394 -3.817 1.00 0.00 H new ATOM 331 N ALA A 22 2.578 8.389 -1.653 1.00 0.00 N ATOM 332 CA ALA A 22 2.980 7.643 -0.465 1.00 0.00 C ATOM 333 C ALA A 22 3.443 6.245 -0.857 1.00 0.00 C ATOM 334 O ALA A 22 4.381 5.697 -0.277 1.00 0.00 O ATOM 335 CB ALA A 22 1.843 7.577 0.545 1.00 0.00 C ATOM 0 H ALA A 22 1.590 8.639 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 22 3.813 8.164 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.167 7.016 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.563 8.587 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.984 7.081 0.094 1.00 0.00 H new ATOM 341 N TYR A 23 2.786 5.683 -1.860 1.00 0.00 N ATOM 342 CA TYR A 23 3.188 4.405 -2.420 1.00 0.00 C ATOM 343 C TYR A 23 4.552 4.513 -3.094 1.00 0.00 C ATOM 344 O TYR A 23 5.408 3.654 -2.907 1.00 0.00 O ATOM 345 CB TYR A 23 2.112 3.906 -3.399 1.00 0.00 C ATOM 346 CG TYR A 23 2.633 3.125 -4.595 1.00 0.00 C ATOM 347 CD1 TYR A 23 3.004 1.793 -4.480 1.00 0.00 C ATOM 348 CD2 TYR A 23 2.743 3.728 -5.843 1.00 0.00 C ATOM 349 CE1 TYR A 23 3.472 1.084 -5.569 1.00 0.00 C ATOM 350 CE2 TYR A 23 3.209 3.026 -6.936 1.00 0.00 C ATOM 351 CZ TYR A 23 3.572 1.706 -6.794 1.00 0.00 C ATOM 352 OH TYR A 23 4.036 1.003 -7.883 1.00 0.00 O ATOM 0 H TYR A 23 1.966 6.097 -2.304 1.00 0.00 H new ATOM 0 HA TYR A 23 3.284 3.677 -1.615 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.411 3.276 -2.852 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.550 4.766 -3.764 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.925 1.302 -3.521 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.459 4.763 -5.959 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.758 0.048 -5.461 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.288 3.510 -7.898 1.00 0.00 H new ATOM 0 HH TYR A 23 4.044 1.587 -8.670 1.00 0.00 H new ATOM 362 N ARG A 24 4.756 5.585 -3.854 1.00 0.00 N ATOM 363 CA ARG A 24 6.003 5.774 -4.591 1.00 0.00 C ATOM 364 C ARG A 24 7.183 6.026 -3.653 1.00 0.00 C ATOM 365 O ARG A 24 8.287 5.539 -3.894 1.00 0.00 O ATOM 366 CB ARG A 24 5.869 6.924 -5.596 1.00 0.00 C ATOM 367 CG ARG A 24 4.953 6.604 -6.760 1.00 0.00 C ATOM 368 CD ARG A 24 4.661 7.842 -7.588 1.00 0.00 C ATOM 369 NE ARG A 24 5.850 8.363 -8.271 1.00 0.00 N ATOM 370 CZ ARG A 24 5.981 8.422 -9.598 1.00 0.00 C ATOM 371 NH1 ARG A 24 5.069 7.867 -10.386 1.00 0.00 N ATOM 372 NH2 ARG A 24 7.040 9.012 -10.135 1.00 0.00 N ATOM 0 H ARG A 24 4.076 6.335 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 24 6.202 4.851 -5.135 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.492 7.806 -5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.857 7.178 -5.980 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.414 5.843 -7.390 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.019 6.185 -6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.897 7.606 -8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.250 8.617 -6.941 1.00 0.00 H new ATOM 0 HE ARG A 24 6.623 8.700 -7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.263 7.393 -9.978 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.174 7.915 -11.399 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.755 9.421 -9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.139 9.057 -11.149 1.00 0.00 H new ATOM 386 N ARG A 25 6.956 6.783 -2.583 1.00 0.00 N ATOM 387 CA ARG A 25 8.023 7.067 -1.626 1.00 0.00 C ATOM 388 C ARG A 25 8.395 5.808 -0.853 1.00 0.00 C ATOM 389 O ARG A 25 9.568 5.568 -0.561 1.00 0.00 O ATOM 390 CB ARG A 25 7.625 8.200 -0.666 1.00 0.00 C ATOM 391 CG ARG A 25 6.414 7.889 0.199 1.00 0.00 C ATOM 392 CD ARG A 25 6.004 9.072 1.062 1.00 0.00 C ATOM 393 NE ARG A 25 7.041 9.453 2.020 1.00 0.00 N ATOM 394 CZ ARG A 25 6.814 9.683 3.313 1.00 0.00 C ATOM 395 NH1 ARG A 25 5.592 9.536 3.818 1.00 0.00 N ATOM 396 NH2 ARG A 25 7.814 10.056 4.104 1.00 0.00 N ATOM 0 H ARG A 25 6.056 7.206 -2.358 1.00 0.00 H new ATOM 0 HA ARG A 25 8.897 7.400 -2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.472 8.426 -0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.420 9.099 -1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.579 7.600 -0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.636 7.035 0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.776 9.923 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.089 8.825 1.601 1.00 0.00 H new ATOM 0 HE ARG A 25 7.997 9.549 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.822 9.246 3.215 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.425 9.714 4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.753 10.166 3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.643 10.233 5.094 1.00 0.00 H new ATOM 410 N LYS A 26 7.393 4.991 -0.548 1.00 0.00 N ATOM 411 CA LYS A 26 7.615 3.736 0.134 1.00 0.00 C ATOM 412 C LYS A 26 8.301 2.750 -0.809 1.00 0.00 C ATOM 413 O LYS A 26 9.231 2.043 -0.424 1.00 0.00 O ATOM 414 CB LYS A 26 6.275 3.179 0.598 1.00 0.00 C ATOM 415 CG LYS A 26 6.388 1.936 1.448 1.00 0.00 C ATOM 416 CD LYS A 26 5.030 1.302 1.664 1.00 0.00 C ATOM 417 CE LYS A 26 4.046 2.246 2.343 1.00 0.00 C ATOM 418 NZ LYS A 26 4.555 2.781 3.633 1.00 0.00 N ATOM 0 H LYS A 26 6.416 5.183 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 26 8.259 3.894 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.750 3.948 1.165 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.664 2.955 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.055 1.221 0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.833 2.188 2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.623 0.988 0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.144 0.404 2.271 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.825 3.077 1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.108 1.720 2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.799 2.746 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.360 2.206 3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.863 3.766 3.503 1.00 0.00 H new ATOM 432 N ALA A 27 7.830 2.731 -2.050 1.00 0.00 N ATOM 433 CA ALA A 27 8.419 1.908 -3.098 1.00 0.00 C ATOM 434 C ALA A 27 9.895 2.237 -3.284 1.00 0.00 C ATOM 435 O ALA A 27 10.733 1.343 -3.385 1.00 0.00 O ATOM 436 CB ALA A 27 7.672 2.109 -4.411 1.00 0.00 C ATOM 0 H ALA A 27 7.030 3.285 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 27 8.334 0.864 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.123 1.488 -5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.627 1.827 -4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.731 3.157 -4.706 1.00 0.00 H new ATOM 442 N LEU A 28 10.203 3.532 -3.335 1.00 0.00 N ATOM 443 CA LEU A 28 11.576 3.993 -3.484 1.00 0.00 C ATOM 444 C LEU A 28 12.432 3.544 -2.306 1.00 0.00 C ATOM 445 O LEU A 28 13.597 3.182 -2.477 1.00 0.00 O ATOM 446 CB LEU A 28 11.612 5.516 -3.605 1.00 0.00 C ATOM 447 CG LEU A 28 12.395 6.037 -4.806 1.00 0.00 C ATOM 448 CD1 LEU A 28 11.684 5.660 -6.093 1.00 0.00 C ATOM 449 CD2 LEU A 28 12.579 7.543 -4.713 1.00 0.00 C ATOM 0 H LEU A 28 9.514 4.281 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 28 11.985 3.553 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.589 5.887 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.048 5.930 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 28 13.383 5.577 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.250 6.036 -6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.605 4.575 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.686 6.098 -6.099 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.140 7.895 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.603 8.028 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.126 7.787 -3.802 1.00 0.00 H new ATOM 461 N GLN A 29 11.835 3.554 -1.118 1.00 0.00 N ATOM 462 CA GLN A 29 12.529 3.162 0.107 1.00 0.00 C ATOM 463 C GLN A 29 12.904 1.680 0.084 1.00 0.00 C ATOM 464 O GLN A 29 13.923 1.282 0.649 1.00 0.00 O ATOM 465 CB GLN A 29 11.652 3.460 1.329 1.00 0.00 C ATOM 466 CG GLN A 29 12.300 3.091 2.656 1.00 0.00 C ATOM 467 CD GLN A 29 13.547 3.903 2.949 1.00 0.00 C ATOM 468 OE1 GLN A 29 13.475 4.970 3.560 1.00 0.00 O ATOM 469 NE2 GLN A 29 14.697 3.405 2.522 1.00 0.00 N ATOM 0 H GLN A 29 10.864 3.832 -0.976 1.00 0.00 H new ATOM 0 HA GLN A 29 13.449 3.743 0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.407 4.522 1.338 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.712 2.917 1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.579 3.238 3.460 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.556 2.032 2.648 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.713 2.518 2.019 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.567 3.909 2.696 1.00 0.00 H new ATOM 478 N TRP A 30 12.094 0.866 -0.583 1.00 0.00 N ATOM 479 CA TRP A 30 12.344 -0.570 -0.632 1.00 0.00 C ATOM 480 C TRP A 30 12.889 -0.995 -1.990 1.00 0.00 C ATOM 481 O TRP A 30 12.935 -2.179 -2.312 1.00 0.00 O ATOM 482 CB TRP A 30 11.077 -1.359 -0.296 1.00 0.00 C ATOM 483 CG TRP A 30 10.616 -1.164 1.115 1.00 0.00 C ATOM 484 CD1 TRP A 30 9.558 -0.414 1.538 1.00 0.00 C ATOM 485 CD2 TRP A 30 11.204 -1.728 2.293 1.00 0.00 C ATOM 486 NE1 TRP A 30 9.450 -0.481 2.906 1.00 0.00 N ATOM 487 CE2 TRP A 30 10.451 -1.277 3.393 1.00 0.00 C ATOM 488 CE3 TRP A 30 12.298 -2.567 2.524 1.00 0.00 C ATOM 489 CZ2 TRP A 30 10.753 -1.644 4.702 1.00 0.00 C ATOM 490 CZ3 TRP A 30 12.598 -2.930 3.823 1.00 0.00 C ATOM 491 CH2 TRP A 30 11.829 -2.468 4.898 1.00 0.00 C ATOM 0 H TRP A 30 11.265 1.172 -1.093 1.00 0.00 H new ATOM 0 HA TRP A 30 13.101 -0.794 0.120 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.280 -1.060 -0.976 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.261 -2.420 -0.468 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.901 0.150 0.892 1.00 0.00 H new ATOM 0 HE1 TRP A 30 8.739 -0.013 3.468 1.00 0.00 H new ATOM 0 HE3 TRP A 30 12.899 -2.925 1.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.160 -1.291 5.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.439 -3.580 4.012 1.00 0.00 H new ATOM 0 HH2 TRP A 30 12.090 -2.768 5.902 1.00 0.00 H new ATOM 502 N HIS A 31 13.304 -0.024 -2.785 1.00 0.00 N ATOM 503 CA HIS A 31 14.027 -0.311 -4.013 1.00 0.00 C ATOM 504 C HIS A 31 15.491 -0.546 -3.673 1.00 0.00 C ATOM 505 O HIS A 31 16.012 0.053 -2.735 1.00 0.00 O ATOM 506 CB HIS A 31 13.883 0.835 -5.021 1.00 0.00 C ATOM 507 CG HIS A 31 12.625 0.775 -5.831 1.00 0.00 C ATOM 508 ND1 HIS A 31 11.951 1.896 -6.263 1.00 0.00 N ATOM 509 CD2 HIS A 31 11.934 -0.285 -6.313 1.00 0.00 C ATOM 510 CE1 HIS A 31 10.902 1.529 -6.975 1.00 0.00 C ATOM 511 NE2 HIS A 31 10.867 0.210 -7.025 1.00 0.00 N ATOM 0 H HIS A 31 13.153 0.968 -2.603 1.00 0.00 H new ATOM 0 HA HIS A 31 13.608 -1.204 -4.477 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.914 1.784 -4.485 1.00 0.00 H new ATOM 0 HB3 HIS A 31 14.739 0.822 -5.696 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.176 -1.327 -6.165 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.191 2.196 -7.439 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.165 -0.349 -7.511 1.00 0.00 H new ATOM 520 N PRO A 32 16.164 -1.424 -4.442 1.00 0.00 N ATOM 521 CA PRO A 32 17.494 -1.972 -4.109 1.00 0.00 C ATOM 522 C PRO A 32 18.541 -0.905 -3.834 1.00 0.00 C ATOM 523 O PRO A 32 19.474 -1.128 -3.064 1.00 0.00 O ATOM 524 CB PRO A 32 17.880 -2.779 -5.356 1.00 0.00 C ATOM 525 CG PRO A 32 16.943 -2.328 -6.422 1.00 0.00 C ATOM 526 CD PRO A 32 15.674 -1.968 -5.715 1.00 0.00 C ATOM 0 HA PRO A 32 17.452 -2.558 -3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 32 18.916 -2.594 -5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 32 17.785 -3.850 -5.176 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.347 -1.472 -6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.773 -3.117 -7.155 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.092 -1.234 -6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.032 -2.836 -5.565 1.00 0.00 H new ATOM 534 N ASP A 33 18.377 0.244 -4.468 1.00 0.00 N ATOM 535 CA ASP A 33 19.277 1.376 -4.272 1.00 0.00 C ATOM 536 C ASP A 33 19.207 1.894 -2.830 1.00 0.00 C ATOM 537 O ASP A 33 20.196 2.389 -2.289 1.00 0.00 O ATOM 538 CB ASP A 33 18.917 2.489 -5.260 1.00 0.00 C ATOM 539 CG ASP A 33 19.779 3.730 -5.118 1.00 0.00 C ATOM 540 OD1 ASP A 33 21.008 3.644 -5.319 1.00 0.00 O ATOM 541 OD2 ASP A 33 19.224 4.807 -4.827 1.00 0.00 O ATOM 0 H ASP A 33 17.622 0.421 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 33 20.300 1.047 -4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 33 19.011 2.106 -6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 33 17.872 2.765 -5.119 1.00 0.00 H new ATOM 546 N LYS A 34 18.040 1.756 -2.207 1.00 0.00 N ATOM 547 CA LYS A 34 17.828 2.206 -0.829 1.00 0.00 C ATOM 548 C LYS A 34 17.633 1.016 0.102 1.00 0.00 C ATOM 549 O LYS A 34 17.310 1.176 1.280 1.00 0.00 O ATOM 550 CB LYS A 34 16.607 3.131 -0.749 1.00 0.00 C ATOM 551 CG LYS A 34 16.943 4.615 -0.799 1.00 0.00 C ATOM 552 CD LYS A 34 17.869 4.943 -1.952 1.00 0.00 C ATOM 553 CE LYS A 34 18.136 6.431 -2.049 1.00 0.00 C ATOM 554 NZ LYS A 34 19.220 6.726 -3.017 1.00 0.00 N ATOM 0 H LYS A 34 17.218 1.332 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 34 18.714 2.758 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.932 2.895 -1.572 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.068 2.923 0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.024 5.193 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.411 4.914 0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.812 4.411 -1.824 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.428 4.591 -2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.225 6.946 -2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 34 18.408 6.818 -1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.275 7.753 -3.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.126 6.385 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.020 6.248 -3.919 1.00 0.00 H new ATOM 568 N ASN A 35 17.838 -0.176 -0.431 1.00 0.00 N ATOM 569 CA ASN A 35 17.621 -1.398 0.325 1.00 0.00 C ATOM 570 C ASN A 35 18.953 -2.052 0.675 1.00 0.00 C ATOM 571 O ASN A 35 19.877 -2.056 -0.137 1.00 0.00 O ATOM 572 CB ASN A 35 16.753 -2.369 -0.482 1.00 0.00 C ATOM 573 CG ASN A 35 16.530 -3.681 0.236 1.00 0.00 C ATOM 574 OD1 ASN A 35 17.305 -4.627 0.087 1.00 0.00 O ATOM 575 ND2 ASN A 35 15.474 -3.745 1.026 1.00 0.00 N ATOM 0 H ASN A 35 18.156 -0.324 -1.389 1.00 0.00 H new ATOM 0 HA ASN A 35 17.104 -1.147 1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.789 -1.904 -0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 35 17.227 -2.561 -1.444 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.274 -4.602 1.542 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.858 -2.938 1.120 1.00 0.00 H new ATOM 582 N PRO A 36 19.075 -2.593 1.900 1.00 0.00 N ATOM 583 CA PRO A 36 20.283 -3.288 2.344 1.00 0.00 C ATOM 584 C PRO A 36 20.386 -4.713 1.787 1.00 0.00 C ATOM 585 O PRO A 36 20.432 -4.910 0.577 1.00 0.00 O ATOM 586 CB PRO A 36 20.124 -3.310 3.863 1.00 0.00 C ATOM 587 CG PRO A 36 18.653 -3.366 4.072 1.00 0.00 C ATOM 588 CD PRO A 36 18.048 -2.548 2.962 1.00 0.00 C ATOM 0 HA PRO A 36 21.192 -2.795 1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 36 20.623 -4.173 4.304 1.00 0.00 H new ATOM 0 HB3 PRO A 36 20.559 -2.422 4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 36 18.293 -4.394 4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 36 18.381 -2.963 5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 36 17.102 -2.969 2.623 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.846 -1.526 3.281 1.00 0.00 H new ATOM 596 N ASP A 37 20.388 -5.700 2.670 1.00 0.00 N ATOM 597 CA ASP A 37 20.600 -7.090 2.274 1.00 0.00 C ATOM 598 C ASP A 37 19.287 -7.836 2.112 1.00 0.00 C ATOM 599 O ASP A 37 19.269 -8.983 1.665 1.00 0.00 O ATOM 600 CB ASP A 37 21.454 -7.817 3.311 1.00 0.00 C ATOM 601 CG ASP A 37 22.904 -7.394 3.282 1.00 0.00 C ATOM 602 OD1 ASP A 37 23.219 -6.288 3.771 1.00 0.00 O ATOM 603 OD2 ASP A 37 23.742 -8.166 2.776 1.00 0.00 O ATOM 0 H ASP A 37 20.245 -5.566 3.671 1.00 0.00 H new ATOM 0 HA ASP A 37 21.114 -7.072 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 37 21.047 -7.630 4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 37 21.391 -8.891 3.137 1.00 0.00 H new ATOM 608 N ASN A 38 18.189 -7.196 2.480 1.00 0.00 N ATOM 609 CA ASN A 38 16.901 -7.876 2.487 1.00 0.00 C ATOM 610 C ASN A 38 16.056 -7.466 1.291 1.00 0.00 C ATOM 611 O ASN A 38 15.385 -6.436 1.316 1.00 0.00 O ATOM 612 CB ASN A 38 16.147 -7.563 3.782 1.00 0.00 C ATOM 613 CG ASN A 38 16.909 -8.003 5.016 1.00 0.00 C ATOM 614 OD1 ASN A 38 17.703 -7.244 5.574 1.00 0.00 O ATOM 615 ND2 ASN A 38 16.678 -9.233 5.445 1.00 0.00 N ATOM 0 H ASN A 38 18.161 -6.220 2.774 1.00 0.00 H new ATOM 0 HA ASN A 38 17.088 -8.948 2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.957 -6.491 3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.176 -8.058 3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 38 17.166 -9.586 6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.012 -9.828 4.953 1.00 0.00 H new ATOM 622 N LYS A 39 16.057 -8.301 0.265 1.00 0.00 N ATOM 623 CA LYS A 39 15.256 -8.060 -0.922 1.00 0.00 C ATOM 624 C LYS A 39 13.916 -8.758 -0.790 1.00 0.00 C ATOM 625 O LYS A 39 12.918 -8.332 -1.373 1.00 0.00 O ATOM 626 CB LYS A 39 15.986 -8.549 -2.177 1.00 0.00 C ATOM 627 CG LYS A 39 17.265 -7.783 -2.470 1.00 0.00 C ATOM 628 CD LYS A 39 16.988 -6.297 -2.611 1.00 0.00 C ATOM 629 CE LYS A 39 18.258 -5.499 -2.853 1.00 0.00 C ATOM 630 NZ LYS A 39 19.236 -5.649 -1.747 1.00 0.00 N ATOM 0 H LYS A 39 16.609 -9.158 0.232 1.00 0.00 H new ATOM 0 HA LYS A 39 15.092 -6.987 -1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.223 -9.606 -2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.317 -8.465 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.984 -7.948 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.718 -8.161 -3.387 1.00 0.00 H new ATOM 0 HD2 LYS A 39 16.296 -6.135 -3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.498 -5.933 -1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 39 18.716 -5.824 -3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.005 -4.445 -2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.064 -5.047 -1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.793 -5.363 -0.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.537 -6.642 -1.682 1.00 0.00 H new ATOM 644 N GLU A 40 13.904 -9.815 0.009 1.00 0.00 N ATOM 645 CA GLU A 40 12.698 -10.587 0.257 1.00 0.00 C ATOM 646 C GLU A 40 11.638 -9.693 0.897 1.00 0.00 C ATOM 647 O GLU A 40 10.474 -9.698 0.494 1.00 0.00 O ATOM 648 CB GLU A 40 13.049 -11.781 1.159 1.00 0.00 C ATOM 649 CG GLU A 40 11.997 -12.883 1.217 1.00 0.00 C ATOM 650 CD GLU A 40 10.847 -12.571 2.150 1.00 0.00 C ATOM 651 OE1 GLU A 40 11.102 -12.222 3.317 1.00 0.00 O ATOM 652 OE2 GLU A 40 9.682 -12.686 1.716 1.00 0.00 O ATOM 0 H GLU A 40 14.728 -10.160 0.502 1.00 0.00 H new ATOM 0 HA GLU A 40 12.290 -10.968 -0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.987 -12.214 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.223 -11.413 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.605 -13.053 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.472 -13.811 1.536 1.00 0.00 H new ATOM 659 N PHE A 41 12.066 -8.892 1.868 1.00 0.00 N ATOM 660 CA PHE A 41 11.184 -7.923 2.507 1.00 0.00 C ATOM 661 C PHE A 41 10.872 -6.761 1.569 1.00 0.00 C ATOM 662 O PHE A 41 9.750 -6.258 1.550 1.00 0.00 O ATOM 663 CB PHE A 41 11.803 -7.398 3.803 1.00 0.00 C ATOM 664 CG PHE A 41 12.011 -8.462 4.841 1.00 0.00 C ATOM 665 CD1 PHE A 41 10.938 -9.172 5.350 1.00 0.00 C ATOM 666 CD2 PHE A 41 13.280 -8.749 5.309 1.00 0.00 C ATOM 667 CE1 PHE A 41 11.128 -10.150 6.305 1.00 0.00 C ATOM 668 CE2 PHE A 41 13.478 -9.725 6.265 1.00 0.00 C ATOM 669 CZ PHE A 41 12.401 -10.427 6.764 1.00 0.00 C ATOM 0 H PHE A 41 13.020 -8.895 2.230 1.00 0.00 H new ATOM 0 HA PHE A 41 10.251 -8.433 2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.761 -6.931 3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.159 -6.621 4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.940 -8.958 4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 41 14.127 -8.203 4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.282 -10.698 6.693 1.00 0.00 H new ATOM 0 HE2 PHE A 41 14.475 -9.938 6.622 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.552 -11.191 7.512 1.00 0.00 H new ATOM 679 N ALA A 42 11.864 -6.336 0.790 1.00 0.00 N ATOM 680 CA ALA A 42 11.694 -5.195 -0.108 1.00 0.00 C ATOM 681 C ALA A 42 10.631 -5.478 -1.163 1.00 0.00 C ATOM 682 O ALA A 42 9.745 -4.654 -1.399 1.00 0.00 O ATOM 683 CB ALA A 42 13.013 -4.844 -0.777 1.00 0.00 C ATOM 0 H ALA A 42 12.790 -6.762 0.762 1.00 0.00 H new ATOM 0 HA ALA A 42 11.363 -4.346 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.868 -3.993 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.750 -4.589 -0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.367 -5.699 -1.353 1.00 0.00 H new ATOM 689 N GLU A 43 10.699 -6.655 -1.773 1.00 0.00 N ATOM 690 CA GLU A 43 9.710 -7.047 -2.765 1.00 0.00 C ATOM 691 C GLU A 43 8.364 -7.290 -2.092 1.00 0.00 C ATOM 692 O GLU A 43 7.315 -7.007 -2.668 1.00 0.00 O ATOM 693 CB GLU A 43 10.159 -8.281 -3.552 1.00 0.00 C ATOM 694 CG GLU A 43 10.274 -9.548 -2.727 1.00 0.00 C ATOM 695 CD GLU A 43 10.609 -10.752 -3.576 1.00 0.00 C ATOM 696 OE1 GLU A 43 9.819 -11.080 -4.483 1.00 0.00 O ATOM 697 OE2 GLU A 43 11.669 -11.369 -3.352 1.00 0.00 O ATOM 0 H GLU A 43 11.425 -7.350 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 43 9.604 -6.231 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.453 -8.455 -4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.126 -8.072 -4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.044 -9.416 -1.967 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.335 -9.725 -2.203 1.00 0.00 H new ATOM 704 N LYS A 44 8.411 -7.830 -0.876 1.00 0.00 N ATOM 705 CA LYS A 44 7.213 -8.062 -0.086 1.00 0.00 C ATOM 706 C LYS A 44 6.465 -6.757 0.150 1.00 0.00 C ATOM 707 O LYS A 44 5.260 -6.673 -0.069 1.00 0.00 O ATOM 708 CB LYS A 44 7.606 -8.659 1.260 1.00 0.00 C ATOM 709 CG LYS A 44 6.933 -9.972 1.589 1.00 0.00 C ATOM 710 CD LYS A 44 7.397 -10.471 2.942 1.00 0.00 C ATOM 711 CE LYS A 44 6.743 -11.788 3.316 1.00 0.00 C ATOM 712 NZ LYS A 44 7.162 -12.895 2.420 1.00 0.00 N ATOM 0 H LYS A 44 9.276 -8.116 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 44 6.564 -8.749 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.686 -8.806 1.276 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.371 -7.939 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.851 -9.844 1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.165 -10.710 0.821 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.480 -10.594 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.169 -9.724 3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.998 -12.039 4.345 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.659 -11.679 3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.830 -13.801 2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.751 -12.752 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.199 -12.909 2.347 1.00 0.00 H new ATOM 726 N LYS A 45 7.194 -5.733 0.575 1.00 0.00 N ATOM 727 CA LYS A 45 6.588 -4.446 0.865 1.00 0.00 C ATOM 728 C LYS A 45 6.174 -3.741 -0.415 1.00 0.00 C ATOM 729 O LYS A 45 5.158 -3.052 -0.441 1.00 0.00 O ATOM 730 CB LYS A 45 7.525 -3.570 1.697 1.00 0.00 C ATOM 731 CG LYS A 45 7.727 -4.101 3.106 1.00 0.00 C ATOM 732 CD LYS A 45 6.402 -4.494 3.722 1.00 0.00 C ATOM 733 CE LYS A 45 6.563 -5.056 5.119 1.00 0.00 C ATOM 734 NZ LYS A 45 5.296 -5.657 5.613 1.00 0.00 N ATOM 0 H LYS A 45 8.202 -5.771 0.725 1.00 0.00 H new ATOM 0 HA LYS A 45 5.690 -4.625 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.491 -3.502 1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.120 -2.559 1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.394 -4.963 3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.209 -3.341 3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.747 -3.623 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.915 -5.235 3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.350 -5.810 5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.880 -4.264 5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.454 -6.077 6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.566 -4.920 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.981 -6.395 4.952 1.00 0.00 H new ATOM 748 N PHE A 46 6.960 -3.922 -1.470 1.00 0.00 N ATOM 749 CA PHE A 46 6.606 -3.400 -2.784 1.00 0.00 C ATOM 750 C PHE A 46 5.291 -4.023 -3.248 1.00 0.00 C ATOM 751 O PHE A 46 4.431 -3.350 -3.815 1.00 0.00 O ATOM 752 CB PHE A 46 7.724 -3.690 -3.796 1.00 0.00 C ATOM 753 CG PHE A 46 7.455 -3.145 -5.167 1.00 0.00 C ATOM 754 CD1 PHE A 46 7.661 -1.804 -5.446 1.00 0.00 C ATOM 755 CD2 PHE A 46 6.997 -3.974 -6.179 1.00 0.00 C ATOM 756 CE1 PHE A 46 7.413 -1.299 -6.707 1.00 0.00 C ATOM 757 CE2 PHE A 46 6.748 -3.476 -7.442 1.00 0.00 C ATOM 758 CZ PHE A 46 6.955 -2.136 -7.706 1.00 0.00 C ATOM 0 H PHE A 46 7.846 -4.426 -1.441 1.00 0.00 H new ATOM 0 HA PHE A 46 6.482 -2.319 -2.715 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.657 -3.267 -3.424 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.868 -4.768 -3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.020 -1.146 -4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.833 -5.022 -5.977 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.577 -0.251 -6.912 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.392 -4.133 -8.222 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.759 -1.743 -8.693 1.00 0.00 H new ATOM 768 N LYS A 47 5.139 -5.314 -2.982 1.00 0.00 N ATOM 769 CA LYS A 47 3.915 -6.029 -3.311 1.00 0.00 C ATOM 770 C LYS A 47 2.758 -5.527 -2.455 1.00 0.00 C ATOM 771 O LYS A 47 1.667 -5.249 -2.966 1.00 0.00 O ATOM 772 CB LYS A 47 4.119 -7.532 -3.106 1.00 0.00 C ATOM 773 CG LYS A 47 2.840 -8.348 -3.184 1.00 0.00 C ATOM 774 CD LYS A 47 3.118 -9.827 -2.987 1.00 0.00 C ATOM 775 CE LYS A 47 1.832 -10.623 -2.846 1.00 0.00 C ATOM 776 NZ LYS A 47 0.935 -10.447 -4.018 1.00 0.00 N ATOM 0 H LYS A 47 5.854 -5.889 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 47 3.671 -5.846 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.818 -7.899 -3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.583 -7.695 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.139 -8.003 -2.424 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.364 -8.191 -4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.691 -10.206 -3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.733 -9.967 -2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.071 -11.680 -2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.311 -10.312 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.135 -11.108 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.577 -9.471 -4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.464 -10.639 -4.892 1.00 0.00 H new ATOM 790 N GLU A 48 3.011 -5.386 -1.158 1.00 0.00 N ATOM 791 CA GLU A 48 1.985 -4.956 -0.223 1.00 0.00 C ATOM 792 C GLU A 48 1.522 -3.531 -0.512 1.00 0.00 C ATOM 793 O GLU A 48 0.329 -3.258 -0.494 1.00 0.00 O ATOM 794 CB GLU A 48 2.473 -5.063 1.223 1.00 0.00 C ATOM 795 CG GLU A 48 2.616 -6.496 1.711 1.00 0.00 C ATOM 796 CD GLU A 48 2.917 -6.586 3.194 1.00 0.00 C ATOM 797 OE1 GLU A 48 1.985 -6.401 4.005 1.00 0.00 O ATOM 798 OE2 GLU A 48 4.078 -6.866 3.559 1.00 0.00 O ATOM 0 H GLU A 48 3.921 -5.564 -0.733 1.00 0.00 H new ATOM 0 HA GLU A 48 1.135 -5.625 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.436 -4.560 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.776 -4.534 1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.696 -7.041 1.498 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.413 -6.987 1.153 1.00 0.00 H new ATOM 805 N VAL A 49 2.455 -2.628 -0.791 1.00 0.00 N ATOM 806 CA VAL A 49 2.092 -1.242 -1.065 1.00 0.00 C ATOM 807 C VAL A 49 1.328 -1.129 -2.382 1.00 0.00 C ATOM 808 O VAL A 49 0.390 -0.346 -2.488 1.00 0.00 O ATOM 809 CB VAL A 49 3.318 -0.293 -1.072 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.312 -0.663 -2.163 1.00 0.00 C ATOM 811 CG2 VAL A 49 2.875 1.152 -1.236 1.00 0.00 C ATOM 0 H VAL A 49 3.455 -2.826 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 49 1.444 -0.925 -0.248 1.00 0.00 H new ATOM 0 HB VAL A 49 3.820 -0.405 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.156 0.026 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.668 -1.680 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.825 -0.600 -3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.750 1.803 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.337 1.263 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.220 1.428 -0.410 1.00 0.00 H new ATOM 821 N ALA A 50 1.715 -1.920 -3.376 1.00 0.00 N ATOM 822 CA ALA A 50 1.063 -1.867 -4.680 1.00 0.00 C ATOM 823 C ALA A 50 -0.413 -2.238 -4.576 1.00 0.00 C ATOM 824 O ALA A 50 -1.279 -1.537 -5.106 1.00 0.00 O ATOM 825 CB ALA A 50 1.770 -2.791 -5.659 1.00 0.00 C ATOM 0 H ALA A 50 2.471 -2.601 -3.306 1.00 0.00 H new ATOM 0 HA ALA A 50 1.127 -0.843 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.274 -2.742 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.809 -2.480 -5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.735 -3.814 -5.284 1.00 0.00 H new ATOM 831 N GLU A 51 -0.703 -3.308 -3.851 1.00 0.00 N ATOM 832 CA GLU A 51 -2.081 -3.741 -3.670 1.00 0.00 C ATOM 833 C GLU A 51 -2.824 -2.786 -2.742 1.00 0.00 C ATOM 834 O GLU A 51 -4.004 -2.493 -2.943 1.00 0.00 O ATOM 835 CB GLU A 51 -2.132 -5.167 -3.113 1.00 0.00 C ATOM 836 CG GLU A 51 -1.430 -5.335 -1.771 1.00 0.00 C ATOM 837 CD GLU A 51 -1.451 -6.763 -1.273 1.00 0.00 C ATOM 838 OE1 GLU A 51 -0.812 -7.624 -1.912 1.00 0.00 O ATOM 839 OE2 GLU A 51 -2.109 -7.034 -0.247 1.00 0.00 O ATOM 0 H GLU A 51 -0.008 -3.889 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.570 -3.733 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.174 -5.467 -3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.678 -5.845 -3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.396 -5.002 -1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.908 -4.691 -1.033 1.00 0.00 H new ATOM 846 N ALA A 52 -2.109 -2.296 -1.739 1.00 0.00 N ATOM 847 CA ALA A 52 -2.694 -1.477 -0.689 1.00 0.00 C ATOM 848 C ALA A 52 -2.981 -0.055 -1.163 1.00 0.00 C ATOM 849 O ALA A 52 -3.998 0.535 -0.798 1.00 0.00 O ATOM 850 CB ALA A 52 -1.784 -1.476 0.527 1.00 0.00 C ATOM 0 H ALA A 52 -1.107 -2.456 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.655 -1.913 -0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.226 -0.861 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.662 -2.496 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.810 -1.070 0.253 1.00 0.00 H new ATOM 856 N TYR A 53 -2.092 0.503 -1.973 1.00 0.00 N ATOM 857 CA TYR A 53 -2.322 1.832 -2.517 1.00 0.00 C ATOM 858 C TYR A 53 -3.443 1.761 -3.547 1.00 0.00 C ATOM 859 O TYR A 53 -4.264 2.671 -3.651 1.00 0.00 O ATOM 860 CB TYR A 53 -1.036 2.419 -3.137 1.00 0.00 C ATOM 861 CG TYR A 53 -1.025 2.456 -4.654 1.00 0.00 C ATOM 862 CD1 TYR A 53 -0.572 1.373 -5.392 1.00 0.00 C ATOM 863 CD2 TYR A 53 -1.485 3.574 -5.344 1.00 0.00 C ATOM 864 CE1 TYR A 53 -0.582 1.398 -6.772 1.00 0.00 C ATOM 865 CE2 TYR A 53 -1.493 3.607 -6.725 1.00 0.00 C ATOM 866 CZ TYR A 53 -1.043 2.515 -7.435 1.00 0.00 C ATOM 867 OH TYR A 53 -1.062 2.532 -8.811 1.00 0.00 O ATOM 0 H TYR A 53 -1.219 0.064 -2.264 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.616 2.500 -1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.897 3.433 -2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.183 1.833 -2.795 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.206 0.496 -4.879 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.842 4.430 -4.790 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.229 0.544 -7.331 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.850 4.484 -7.245 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.790 1.961 -9.135 1.00 0.00 H new ATOM 877 N GLU A 54 -3.479 0.656 -4.289 1.00 0.00 N ATOM 878 CA GLU A 54 -4.491 0.457 -5.313 1.00 0.00 C ATOM 879 C GLU A 54 -5.879 0.359 -4.685 1.00 0.00 C ATOM 880 O GLU A 54 -6.816 1.018 -5.131 1.00 0.00 O ATOM 881 CB GLU A 54 -4.176 -0.802 -6.122 1.00 0.00 C ATOM 882 CG GLU A 54 -4.967 -0.924 -7.413 1.00 0.00 C ATOM 883 CD GLU A 54 -4.718 0.229 -8.364 1.00 0.00 C ATOM 884 OE1 GLU A 54 -3.565 0.403 -8.821 1.00 0.00 O ATOM 885 OE2 GLU A 54 -5.675 0.966 -8.669 1.00 0.00 O ATOM 0 H GLU A 54 -2.816 -0.114 -4.197 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.483 1.316 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.112 -0.812 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.374 -1.677 -5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.706 -1.860 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.030 -0.973 -7.179 1.00 0.00 H new ATOM 892 N VAL A 55 -5.999 -0.444 -3.630 1.00 0.00 N ATOM 893 CA VAL A 55 -7.280 -0.624 -2.958 1.00 0.00 C ATOM 894 C VAL A 55 -7.754 0.680 -2.316 1.00 0.00 C ATOM 895 O VAL A 55 -8.937 1.004 -2.348 1.00 0.00 O ATOM 896 CB VAL A 55 -7.238 -1.768 -1.908 1.00 0.00 C ATOM 897 CG1 VAL A 55 -6.244 -1.479 -0.804 1.00 0.00 C ATOM 898 CG2 VAL A 55 -8.616 -2.023 -1.318 1.00 0.00 C ATOM 0 H VAL A 55 -5.229 -0.977 -3.225 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.999 -0.914 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.911 -2.667 -2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.244 -2.302 -0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.247 -1.369 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.524 -0.557 -0.295 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.555 -2.829 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.977 -1.117 -0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.306 -2.306 -2.113 1.00 0.00 H new ATOM 908 N LEU A 56 -6.823 1.435 -1.747 1.00 0.00 N ATOM 909 CA LEU A 56 -7.162 2.689 -1.093 1.00 0.00 C ATOM 910 C LEU A 56 -7.488 3.790 -2.103 1.00 0.00 C ATOM 911 O LEU A 56 -8.284 4.690 -1.819 1.00 0.00 O ATOM 912 CB LEU A 56 -6.024 3.123 -0.160 1.00 0.00 C ATOM 913 CG LEU A 56 -6.226 4.460 0.563 1.00 0.00 C ATOM 914 CD1 LEU A 56 -7.522 4.456 1.360 1.00 0.00 C ATOM 915 CD2 LEU A 56 -5.046 4.750 1.472 1.00 0.00 C ATOM 0 H LEU A 56 -5.831 1.201 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.061 2.523 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.877 2.345 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.105 3.182 -0.743 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.292 5.248 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.642 5.415 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.363 4.292 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.490 3.658 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.203 5.702 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.953 3.956 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.133 4.801 0.878 1.00 0.00 H new ATOM 927 N SER A 57 -6.891 3.715 -3.281 1.00 0.00 N ATOM 928 CA SER A 57 -7.086 4.742 -4.293 1.00 0.00 C ATOM 929 C SER A 57 -8.356 4.485 -5.104 1.00 0.00 C ATOM 930 O SER A 57 -8.891 5.400 -5.737 1.00 0.00 O ATOM 931 CB SER A 57 -5.868 4.807 -5.222 1.00 0.00 C ATOM 932 OG SER A 57 -5.980 5.882 -6.140 1.00 0.00 O ATOM 0 H SER A 57 -6.269 2.956 -3.560 1.00 0.00 H new ATOM 0 HA SER A 57 -7.198 5.700 -3.785 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.961 4.925 -4.629 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.773 3.868 -5.767 1.00 0.00 H new ATOM 0 HG SER A 57 -5.228 6.498 -6.015 1.00 0.00 H new ATOM 938 N ASP A 58 -8.843 3.251 -5.077 1.00 0.00 N ATOM 939 CA ASP A 58 -9.984 2.868 -5.908 1.00 0.00 C ATOM 940 C ASP A 58 -11.214 2.565 -5.064 1.00 0.00 C ATOM 941 O ASP A 58 -11.161 1.792 -4.110 1.00 0.00 O ATOM 942 CB ASP A 58 -9.639 1.662 -6.776 1.00 0.00 C ATOM 943 CG ASP A 58 -10.784 1.271 -7.682 1.00 0.00 C ATOM 944 OD1 ASP A 58 -10.912 1.858 -8.776 1.00 0.00 O ATOM 945 OD2 ASP A 58 -11.570 0.388 -7.300 1.00 0.00 O ATOM 0 H ASP A 58 -8.471 2.501 -4.494 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.215 3.716 -6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.760 1.889 -7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.378 0.818 -6.137 1.00 0.00 H new ATOM 950 N LYS A 59 -12.330 3.179 -5.447 1.00 0.00 N ATOM 951 CA LYS A 59 -13.576 3.077 -4.692 1.00 0.00 C ATOM 952 C LYS A 59 -14.128 1.657 -4.731 1.00 0.00 C ATOM 953 O LYS A 59 -14.701 1.179 -3.752 1.00 0.00 O ATOM 954 CB LYS A 59 -14.644 4.028 -5.252 1.00 0.00 C ATOM 955 CG LYS A 59 -14.187 5.463 -5.471 1.00 0.00 C ATOM 956 CD LYS A 59 -13.347 5.596 -6.732 1.00 0.00 C ATOM 957 CE LYS A 59 -13.211 7.045 -7.171 1.00 0.00 C ATOM 958 NZ LYS A 59 -14.520 7.645 -7.549 1.00 0.00 N ATOM 0 H LYS A 59 -12.397 3.758 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.344 3.352 -3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -15.000 3.629 -6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.494 4.035 -4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.057 6.116 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.608 5.796 -4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.357 5.176 -6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.801 5.015 -7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.766 7.627 -6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.529 7.103 -8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.359 8.481 -8.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.083 6.947 -8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.034 7.926 -6.690 1.00 0.00 H new ATOM 972 N HIS A 60 -13.957 0.992 -5.871 1.00 0.00 N ATOM 973 CA HIS A 60 -14.444 -0.376 -6.039 1.00 0.00 C ATOM 974 C HIS A 60 -13.627 -1.332 -5.189 1.00 0.00 C ATOM 975 O HIS A 60 -14.164 -2.237 -4.558 1.00 0.00 O ATOM 976 CB HIS A 60 -14.396 -0.817 -7.507 1.00 0.00 C ATOM 977 CG HIS A 60 -15.264 -0.002 -8.410 1.00 0.00 C ATOM 978 ND1 HIS A 60 -14.824 0.525 -9.604 1.00 0.00 N ATOM 979 CD2 HIS A 60 -16.559 0.369 -8.294 1.00 0.00 C ATOM 980 CE1 HIS A 60 -15.806 1.189 -10.179 1.00 0.00 C ATOM 981 NE2 HIS A 60 -16.868 1.108 -9.405 1.00 0.00 N ATOM 0 H HIS A 60 -13.486 1.376 -6.690 1.00 0.00 H new ATOM 0 HA HIS A 60 -15.484 -0.397 -5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -13.366 -0.761 -7.860 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -14.699 -1.862 -7.573 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -17.225 0.128 -7.478 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -15.750 1.710 -11.123 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -17.776 1.529 -9.601 1.00 0.00 H new ATOM 990 N LYS A 61 -12.322 -1.128 -5.175 1.00 0.00 N ATOM 991 CA LYS A 61 -11.445 -1.931 -4.343 1.00 0.00 C ATOM 992 C LYS A 61 -11.803 -1.764 -2.866 1.00 0.00 C ATOM 993 O LYS A 61 -11.771 -2.727 -2.105 1.00 0.00 O ATOM 994 CB LYS A 61 -9.985 -1.550 -4.579 1.00 0.00 C ATOM 995 CG LYS A 61 -9.476 -1.798 -5.998 1.00 0.00 C ATOM 996 CD LYS A 61 -9.371 -3.284 -6.340 1.00 0.00 C ATOM 997 CE LYS A 61 -10.716 -3.881 -6.729 1.00 0.00 C ATOM 998 NZ LYS A 61 -10.598 -5.304 -7.144 1.00 0.00 N ATOM 0 H LYS A 61 -11.847 -0.415 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.580 -2.978 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.858 -0.494 -4.343 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.361 -2.110 -3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.145 -1.313 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.497 -1.333 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.665 -3.417 -7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.970 -3.825 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.403 -3.806 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.147 -3.301 -7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.537 -5.670 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.963 -5.375 -7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.211 -5.864 -6.358 1.00 0.00 H new ATOM 1012 N ARG A 62 -12.169 -0.543 -2.472 1.00 0.00 N ATOM 1013 CA ARG A 62 -12.529 -0.260 -1.082 1.00 0.00 C ATOM 1014 C ARG A 62 -13.746 -1.071 -0.645 1.00 0.00 C ATOM 1015 O ARG A 62 -13.745 -1.683 0.427 1.00 0.00 O ATOM 1016 CB ARG A 62 -12.849 1.220 -0.887 1.00 0.00 C ATOM 1017 CG ARG A 62 -11.689 2.160 -1.146 1.00 0.00 C ATOM 1018 CD ARG A 62 -12.128 3.602 -0.973 1.00 0.00 C ATOM 1019 NE ARG A 62 -11.103 4.554 -1.389 1.00 0.00 N ATOM 1020 CZ ARG A 62 -11.372 5.772 -1.848 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -12.630 6.180 -1.973 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -10.382 6.583 -2.200 1.00 0.00 N ATOM 0 H ARG A 62 -12.224 0.264 -3.094 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.667 -0.537 -0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.672 1.490 -1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -13.199 1.370 0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.872 1.937 -0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.308 2.008 -2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -13.035 3.774 -1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.380 3.778 0.073 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.126 4.269 -1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.396 5.557 -1.716 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -12.830 7.116 -2.326 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.414 6.272 -2.118 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.589 7.518 -2.552 1.00 0.00 H new ATOM 1036 N GLU A 63 -14.781 -1.076 -1.478 1.00 0.00 N ATOM 1037 CA GLU A 63 -16.009 -1.782 -1.147 1.00 0.00 C ATOM 1038 C GLU A 63 -15.798 -3.288 -1.221 1.00 0.00 C ATOM 1039 O GLU A 63 -16.350 -4.039 -0.420 1.00 0.00 O ATOM 1040 CB GLU A 63 -17.160 -1.340 -2.058 1.00 0.00 C ATOM 1041 CG GLU A 63 -16.849 -1.435 -3.540 1.00 0.00 C ATOM 1042 CD GLU A 63 -17.992 -0.963 -4.409 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -18.110 0.259 -4.629 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -18.787 -1.811 -4.863 1.00 0.00 O ATOM 0 H GLU A 63 -14.793 -0.602 -2.381 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.282 -1.528 -0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -18.036 -1.952 -1.842 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.424 -0.310 -1.818 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.962 -0.841 -3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.610 -2.468 -3.791 1.00 0.00 H new ATOM 1051 N ILE A 64 -14.981 -3.725 -2.172 1.00 0.00 N ATOM 1052 CA ILE A 64 -14.634 -5.133 -2.284 1.00 0.00 C ATOM 1053 C ILE A 64 -13.839 -5.573 -1.058 1.00 0.00 C ATOM 1054 O ILE A 64 -14.057 -6.658 -0.528 1.00 0.00 O ATOM 1055 CB ILE A 64 -13.856 -5.436 -3.596 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -14.829 -5.815 -4.726 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -12.826 -6.546 -3.399 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -15.843 -4.742 -5.068 1.00 0.00 C ATOM 0 H ILE A 64 -14.548 -3.125 -2.874 1.00 0.00 H new ATOM 0 HA ILE A 64 -15.560 -5.707 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 64 -13.321 -4.528 -3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -14.253 -6.051 -5.621 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -15.361 -6.723 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -12.303 -6.728 -4.338 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -12.108 -6.245 -2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -13.331 -7.458 -3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -16.487 -5.094 -5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.449 -4.521 -4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -15.323 -3.839 -5.387 1.00 0.00 H new ATOM 1070 N TYR A 65 -12.951 -4.705 -0.587 1.00 0.00 N ATOM 1071 CA TYR A 65 -12.175 -4.980 0.615 1.00 0.00 C ATOM 1072 C TYR A 65 -13.096 -5.171 1.818 1.00 0.00 C ATOM 1073 O TYR A 65 -12.847 -6.018 2.679 1.00 0.00 O ATOM 1074 CB TYR A 65 -11.183 -3.843 0.876 1.00 0.00 C ATOM 1075 CG TYR A 65 -10.370 -4.008 2.143 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -9.320 -4.916 2.210 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -10.657 -3.252 3.271 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -8.581 -5.065 3.370 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -9.925 -3.395 4.431 1.00 0.00 C ATOM 1080 CZ TYR A 65 -8.889 -4.301 4.476 1.00 0.00 C ATOM 1081 OH TYR A 65 -8.163 -4.450 5.636 1.00 0.00 O ATOM 0 H TYR A 65 -12.751 -3.804 -1.020 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.616 -5.903 0.462 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.502 -3.768 0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.731 -2.902 0.929 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.077 -5.514 1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.468 -2.539 3.240 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.768 -5.775 3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.163 -2.799 5.300 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.508 -3.837 6.319 1.00 0.00 H new ATOM 1091 N ASP A 66 -14.160 -4.380 1.871 1.00 0.00 N ATOM 1092 CA ASP A 66 -15.121 -4.466 2.967 1.00 0.00 C ATOM 1093 C ASP A 66 -15.985 -5.723 2.856 1.00 0.00 C ATOM 1094 O ASP A 66 -16.127 -6.479 3.822 1.00 0.00 O ATOM 1095 CB ASP A 66 -16.021 -3.228 2.965 1.00 0.00 C ATOM 1096 CG ASP A 66 -17.031 -3.224 4.099 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -18.103 -3.851 3.953 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -16.771 -2.571 5.132 1.00 0.00 O ATOM 0 H ASP A 66 -14.381 -3.672 1.170 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.561 -4.518 3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.400 -2.335 3.036 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.551 -3.173 2.014 1.00 0.00 H new ATOM 1103 N ARG A 67 -16.518 -5.969 1.662 1.00 0.00 N ATOM 1104 CA ARG A 67 -17.471 -7.060 1.462 1.00 0.00 C ATOM 1105 C ARG A 67 -16.781 -8.423 1.403 1.00 0.00 C ATOM 1106 O ARG A 67 -17.360 -9.428 1.805 1.00 0.00 O ATOM 1107 CB ARG A 67 -18.300 -6.818 0.193 1.00 0.00 C ATOM 1108 CG ARG A 67 -17.502 -6.911 -1.097 1.00 0.00 C ATOM 1109 CD ARG A 67 -18.068 -6.000 -2.176 1.00 0.00 C ATOM 1110 NE ARG A 67 -19.430 -6.362 -2.570 1.00 0.00 N ATOM 1111 CZ ARG A 67 -20.174 -5.643 -3.414 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -19.704 -4.507 -3.927 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -21.388 -6.058 -3.740 1.00 0.00 N ATOM 0 H ARG A 67 -16.308 -5.431 0.821 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.137 -7.074 2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.112 -7.544 0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -18.758 -5.831 0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -16.463 -6.643 -0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -17.504 -7.941 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -18.061 -4.971 -1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -17.420 -6.036 -3.052 1.00 0.00 H new ATOM 0 HE ARG A 67 -19.834 -7.212 -2.177 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -18.771 -4.182 -3.676 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -20.278 -3.963 -4.571 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -21.753 -6.925 -3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -21.958 -5.510 -4.385 1.00 0.00 H new ATOM 1127 N TYR A 68 -15.549 -8.455 0.912 1.00 0.00 N ATOM 1128 CA TYR A 68 -14.812 -9.707 0.788 1.00 0.00 C ATOM 1129 C TYR A 68 -13.925 -9.915 2.011 1.00 0.00 C ATOM 1130 O TYR A 68 -13.370 -10.995 2.223 1.00 0.00 O ATOM 1131 CB TYR A 68 -13.970 -9.688 -0.495 1.00 0.00 C ATOM 1132 CG TYR A 68 -13.314 -11.006 -0.837 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -14.069 -12.083 -1.280 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -11.939 -11.167 -0.728 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -13.473 -13.285 -1.604 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -11.334 -12.367 -1.053 1.00 0.00 C ATOM 1137 CZ TYR A 68 -12.105 -13.422 -1.489 1.00 0.00 C ATOM 1138 OH TYR A 68 -11.510 -14.619 -1.817 1.00 0.00 O ATOM 0 H TYR A 68 -15.039 -7.631 0.594 1.00 0.00 H new ATOM 0 HA TYR A 68 -15.517 -10.536 0.730 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -14.607 -9.387 -1.327 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -13.196 -8.927 -0.395 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.140 -11.979 -1.373 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -11.333 -10.342 -0.384 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -14.075 -14.114 -1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.263 -12.477 -0.966 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.542 -14.551 -1.682 1.00 0.00 H new ATOM 1148 N GLY A 69 -13.819 -8.874 2.824 1.00 0.00 N ATOM 1149 CA GLY A 69 -13.018 -8.942 4.027 1.00 0.00 C ATOM 1150 C GLY A 69 -13.704 -9.706 5.128 1.00 0.00 C ATOM 1151 O GLY A 69 -13.106 -10.560 5.783 1.00 0.00 O ATOM 0 H GLY A 69 -14.278 -7.976 2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.063 -9.416 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.798 -7.932 4.372 1.00 0.00 H new ATOM 1155 N ARG A 70 -14.962 -9.373 5.337 1.00 0.00 N ATOM 1156 CA ARG A 70 -15.782 -10.024 6.357 1.00 0.00 C ATOM 1157 C ARG A 70 -15.967 -11.512 6.072 1.00 0.00 C ATOM 1158 O ARG A 70 -16.156 -12.305 6.995 1.00 0.00 O ATOM 1159 CB ARG A 70 -17.153 -9.353 6.447 1.00 0.00 C ATOM 1160 CG ARG A 70 -17.102 -7.899 6.871 1.00 0.00 C ATOM 1161 CD ARG A 70 -16.456 -7.740 8.237 1.00 0.00 C ATOM 1162 NE ARG A 70 -16.578 -6.376 8.739 1.00 0.00 N ATOM 1163 CZ ARG A 70 -15.672 -5.778 9.508 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -14.548 -6.408 9.836 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -15.887 -4.542 9.945 1.00 0.00 N ATOM 0 H ARG A 70 -15.449 -8.648 4.811 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.257 -9.920 7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -17.643 -9.420 5.476 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -17.771 -9.906 7.155 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -16.543 -7.323 6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -18.112 -7.490 6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -16.921 -8.429 8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -15.402 -8.011 8.174 1.00 0.00 H new ATOM 0 HE ARG A 70 -17.412 -5.847 8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.377 -7.355 9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.857 -5.944 10.426 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.745 -4.053 9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.194 -4.082 10.535 1.00 0.00 H new ATOM 1179 N GLU A 71 -15.907 -11.882 4.799 1.00 0.00 N ATOM 1180 CA GLU A 71 -16.141 -13.260 4.384 1.00 0.00 C ATOM 1181 C GLU A 71 -15.005 -14.174 4.827 1.00 0.00 C ATOM 1182 O GLU A 71 -15.238 -15.030 5.707 1.00 0.00 O ATOM 1183 CB GLU A 71 -16.313 -13.330 2.867 1.00 0.00 C ATOM 1184 CG GLU A 71 -17.516 -12.552 2.358 1.00 0.00 C ATOM 1185 CD GLU A 71 -18.820 -13.038 2.958 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -19.418 -13.980 2.401 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -19.253 -12.483 3.989 1.00 0.00 O ATOM 0 H GLU A 71 -15.697 -11.243 4.032 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.056 -13.605 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -15.412 -12.945 2.389 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.412 -14.374 2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.385 -11.495 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.566 -12.636 1.272 1.00 0.00 H new