USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 561 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 Single : A 1 VAL N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -1.58! C(o=-1.6!,f=-1.6!) USER MOD Single : A 7 ASN : amide:sc=-0.00312 K(o=-0.0031,f=-1.5!) USER MOD Single : A 9 SER OG : rot -6:sc= 0.947 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0707 USER MOD Single : A 16 LYS NZ :NH3+ 147:sc= -0.153 (180deg=-1.27!) USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= -0.11 (180deg=-0.874) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.593 K(o=-0.59,f=-3.7!) USER MOD Single : A 49 SER OG : rot -160:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -7.95! C(o=-7.9!,f=-6.7!) USER MOD Single : A 52 ASN : amide:sc= -2.04 K(o=-2,f=-3.1!) 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= -0.0184 K(o=-0.018,f=-1.2) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 71 GLN : amide:sc=-0.00186 K(o=-0.0019,f=-1.6!) USER MOD Single : A 82 THR OG1 : rot -170:sc=-0.00982 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 84:sc= -1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.994 -11.032 -0.709 1.00 0.00 N ATOM 2 CA VAL A 1 -1.171 -10.956 0.531 1.00 0.00 C ATOM 3 C VAL A 1 -2.060 -10.628 1.735 1.00 0.00 C ATOM 4 O VAL A 1 -2.789 -9.656 1.733 1.00 0.00 O ATOM 5 CB VAL A 1 -0.162 -9.833 0.266 1.00 0.00 C ATOM 6 CG1 VAL A 1 -0.614 -8.544 0.960 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.209 -10.246 0.807 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.381 -11.255 -1.519 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.713 -11.776 -0.603 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.463 -10.118 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.673 -11.898 0.761 1.00 0.00 H new ATOM 0 HB VAL A 1 -0.099 -9.656 -0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 1 0.110 -7.753 0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -1.589 -8.246 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -0.685 -8.715 2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.929 -9.449 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.138 -10.426 1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.538 -11.157 0.307 1.00 0.00 H new ATOM 19 N THR A 2 -2.009 -11.433 2.761 1.00 0.00 N ATOM 20 CA THR A 2 -2.858 -11.165 3.957 1.00 0.00 C ATOM 21 C THR A 2 -2.021 -11.225 5.238 1.00 0.00 C ATOM 22 O THR A 2 -1.054 -11.959 5.329 1.00 0.00 O ATOM 23 CB THR A 2 -3.912 -12.272 3.952 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.607 -12.253 2.713 1.00 0.00 O ATOM 25 CG2 THR A 2 -4.900 -12.046 5.098 1.00 0.00 C ATOM 0 H THR A 2 -1.418 -12.262 2.823 1.00 0.00 H new ATOM 0 HA THR A 2 -3.307 -10.172 3.924 1.00 0.00 H new ATOM 0 HB THR A 2 -3.426 -13.239 4.083 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.283 -12.963 2.706 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.651 -12.836 5.093 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.365 -12.060 6.048 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.389 -11.080 4.971 1.00 0.00 H new ATOM 33 N VAL A 3 -2.397 -10.463 6.228 1.00 0.00 N ATOM 34 CA VAL A 3 -1.642 -10.469 7.514 1.00 0.00 C ATOM 35 C VAL A 3 -2.266 -11.489 8.473 1.00 0.00 C ATOM 36 O VAL A 3 -3.427 -11.398 8.821 1.00 0.00 O ATOM 37 CB VAL A 3 -1.763 -9.038 8.056 1.00 0.00 C ATOM 38 CG1 VAL A 3 -2.653 -9.013 9.303 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.372 -8.513 8.417 1.00 0.00 C ATOM 0 H VAL A 3 -3.199 -9.833 6.202 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.597 -10.754 7.391 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.211 -8.407 7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.729 -7.991 9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.647 -9.381 9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.217 -9.649 10.074 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.455 -7.497 8.802 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.073 -9.154 9.178 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.259 -8.514 7.528 1.00 0.00 H new ATOM 49 N GLN A 4 -1.510 -12.467 8.890 1.00 0.00 N ATOM 50 CA GLN A 4 -2.068 -13.497 9.811 1.00 0.00 C ATOM 51 C GLN A 4 -1.431 -13.388 11.200 1.00 0.00 C ATOM 52 O GLN A 4 -0.232 -13.502 11.357 1.00 0.00 O ATOM 53 CB GLN A 4 -1.709 -14.834 9.159 1.00 0.00 C ATOM 54 CG GLN A 4 -2.214 -15.984 10.034 1.00 0.00 C ATOM 55 CD GLN A 4 -1.732 -17.316 9.454 1.00 0.00 C ATOM 56 OE1 GLN A 4 -0.545 -17.536 9.312 1.00 0.00 O ATOM 57 NE2 GLN A 4 -2.609 -18.219 9.112 1.00 0.00 N ATOM 0 H GLN A 4 -0.531 -12.597 8.633 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.142 -13.380 9.955 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.154 -14.897 8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.629 -14.909 9.030 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.849 -15.866 11.054 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.303 -15.968 10.081 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.605 -18.034 9.231 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.299 -19.110 8.725 1.00 0.00 H new ATOM 66 N ASP A 5 -2.230 -13.175 12.211 1.00 0.00 N ATOM 67 CA ASP A 5 -1.680 -13.067 13.593 1.00 0.00 C ATOM 68 C ASP A 5 -1.815 -14.412 14.312 1.00 0.00 C ATOM 69 O ASP A 5 -1.587 -14.520 15.500 1.00 0.00 O ATOM 70 CB ASP A 5 -2.536 -12.003 14.281 1.00 0.00 C ATOM 71 CG ASP A 5 -2.263 -10.639 13.644 1.00 0.00 C ATOM 72 OD1 ASP A 5 -1.364 -10.559 12.824 1.00 0.00 O ATOM 73 OD2 ASP A 5 -2.959 -9.698 13.988 1.00 0.00 O ATOM 0 H ASP A 5 -3.242 -13.071 12.139 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.623 -12.802 13.600 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.592 -12.255 14.188 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.308 -11.971 15.347 1.00 0.00 H new ATOM 78 N GLY A 6 -2.187 -15.436 13.594 1.00 0.00 N ATOM 79 CA GLY A 6 -2.341 -16.777 14.221 1.00 0.00 C ATOM 80 C GLY A 6 -2.772 -17.785 13.153 1.00 0.00 C ATOM 81 O GLY A 6 -2.275 -17.781 12.045 1.00 0.00 O ATOM 0 H GLY A 6 -2.392 -15.400 12.595 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.401 -17.090 14.675 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.082 -16.736 15.019 1.00 0.00 H new ATOM 85 N ASN A 7 -3.693 -18.651 13.477 1.00 0.00 N ATOM 86 CA ASN A 7 -4.153 -19.656 12.480 1.00 0.00 C ATOM 87 C ASN A 7 -5.203 -19.037 11.551 1.00 0.00 C ATOM 88 O ASN A 7 -5.774 -19.706 10.713 1.00 0.00 O ATOM 89 CB ASN A 7 -4.768 -20.778 13.313 1.00 0.00 C ATOM 90 CG ASN A 7 -3.682 -21.429 14.170 1.00 0.00 C ATOM 91 OD1 ASN A 7 -2.507 -21.256 13.918 1.00 0.00 O ATOM 92 ND2 ASN A 7 -4.029 -22.178 15.181 1.00 0.00 N ATOM 0 H ASN A 7 -4.146 -18.705 14.389 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.342 -20.014 11.846 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.559 -20.382 13.949 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.226 -21.521 12.660 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.313 -22.618 15.759 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.016 -22.323 15.393 1.00 0.00 H new ATOM 99 N PHE A 8 -5.461 -17.766 11.695 1.00 0.00 N ATOM 100 CA PHE A 8 -6.475 -17.108 10.821 1.00 0.00 C ATOM 101 C PHE A 8 -5.842 -15.944 10.052 1.00 0.00 C ATOM 102 O PHE A 8 -5.149 -15.120 10.615 1.00 0.00 O ATOM 103 CB PHE A 8 -7.547 -16.596 11.782 1.00 0.00 C ATOM 104 CG PHE A 8 -8.090 -17.751 12.591 1.00 0.00 C ATOM 105 CD1 PHE A 8 -7.477 -18.109 13.797 1.00 0.00 C ATOM 106 CD2 PHE A 8 -9.202 -18.465 12.130 1.00 0.00 C ATOM 107 CE1 PHE A 8 -7.979 -19.180 14.546 1.00 0.00 C ATOM 108 CE2 PHE A 8 -9.705 -19.537 12.879 1.00 0.00 C ATOM 109 CZ PHE A 8 -9.093 -19.895 14.087 1.00 0.00 C ATOM 0 H PHE A 8 -5.015 -17.155 12.379 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.884 -17.791 10.076 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.126 -15.840 12.445 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.352 -16.118 11.224 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.617 -17.559 14.150 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.672 -18.190 11.197 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.507 -19.455 15.478 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.564 -20.087 12.525 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.480 -20.722 14.664 1.00 0.00 H new ATOM 119 N SER A 9 -6.079 -15.869 8.771 1.00 0.00 N ATOM 120 CA SER A 9 -5.495 -14.757 7.967 1.00 0.00 C ATOM 121 C SER A 9 -6.339 -13.489 8.134 1.00 0.00 C ATOM 122 O SER A 9 -7.540 -13.505 7.950 1.00 0.00 O ATOM 123 CB SER A 9 -5.541 -15.247 6.519 1.00 0.00 C ATOM 124 OG SER A 9 -6.861 -15.111 6.015 1.00 0.00 O ATOM 0 H SER A 9 -6.652 -16.530 8.246 1.00 0.00 H new ATOM 0 HA SER A 9 -4.481 -14.508 8.279 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.846 -14.672 5.907 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.226 -16.289 6.466 1.00 0.00 H new ATOM 0 HG SER A 9 -7.459 -14.827 6.737 1.00 0.00 H new ATOM 130 N PHE A 10 -5.721 -12.394 8.483 1.00 0.00 N ATOM 131 CA PHE A 10 -6.492 -11.130 8.665 1.00 0.00 C ATOM 132 C PHE A 10 -6.077 -10.094 7.615 1.00 0.00 C ATOM 133 O PHE A 10 -4.913 -9.787 7.459 1.00 0.00 O ATOM 134 CB PHE A 10 -6.128 -10.644 10.069 1.00 0.00 C ATOM 135 CG PHE A 10 -6.517 -11.690 11.089 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.549 -12.596 10.810 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.847 -11.748 12.317 1.00 0.00 C ATOM 138 CE1 PHE A 10 -7.909 -13.560 11.760 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.207 -12.713 13.266 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.238 -13.618 12.988 1.00 0.00 C ATOM 0 H PHE A 10 -4.718 -12.319 8.650 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.565 -11.283 8.549 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.058 -10.444 10.129 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.640 -9.706 10.283 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.066 -12.551 9.863 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.053 -11.049 12.532 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.704 -14.259 11.546 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.689 -12.759 14.213 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.516 -14.361 13.721 1.00 0.00 H new ATOM 150 N SER A 11 -7.022 -9.553 6.895 1.00 0.00 N ATOM 151 CA SER A 11 -6.682 -8.536 5.856 1.00 0.00 C ATOM 152 C SER A 11 -6.258 -7.221 6.522 1.00 0.00 C ATOM 153 O SER A 11 -6.448 -7.026 7.705 1.00 0.00 O ATOM 154 CB SER A 11 -7.972 -8.342 5.057 1.00 0.00 C ATOM 155 OG SER A 11 -8.353 -9.575 4.465 1.00 0.00 O ATOM 0 H SER A 11 -8.015 -9.770 6.980 1.00 0.00 H new ATOM 0 HA SER A 11 -5.853 -8.852 5.222 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.766 -7.980 5.710 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.824 -7.586 4.285 1.00 0.00 H new ATOM 0 HG SER A 11 -9.180 -9.451 3.955 1.00 0.00 H new ATOM 161 N LEU A 12 -5.680 -6.321 5.772 1.00 0.00 N ATOM 162 CA LEU A 12 -5.240 -5.026 6.369 1.00 0.00 C ATOM 163 C LEU A 12 -6.294 -3.939 6.133 1.00 0.00 C ATOM 164 O LEU A 12 -6.209 -2.851 6.671 1.00 0.00 O ATOM 165 CB LEU A 12 -3.936 -4.677 5.648 1.00 0.00 C ATOM 166 CG LEU A 12 -2.938 -5.823 5.824 1.00 0.00 C ATOM 167 CD1 LEU A 12 -1.584 -5.418 5.237 1.00 0.00 C ATOM 168 CD2 LEU A 12 -2.775 -6.133 7.314 1.00 0.00 C ATOM 0 H LEU A 12 -5.494 -6.426 4.775 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.103 -5.099 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.127 -4.506 4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.521 -3.753 6.050 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.308 -6.708 5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.874 -6.235 5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.699 -5.197 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.214 -4.533 5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.064 -6.950 7.440 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.406 -5.247 7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.739 -6.423 7.733 1.00 0.00 H new ATOM 180 N GLU A 13 -7.286 -4.219 5.334 1.00 0.00 N ATOM 181 CA GLU A 13 -8.340 -3.197 5.069 1.00 0.00 C ATOM 182 C GLU A 13 -9.099 -2.867 6.357 1.00 0.00 C ATOM 183 O GLU A 13 -9.009 -1.774 6.880 1.00 0.00 O ATOM 184 CB GLU A 13 -9.280 -3.844 4.052 1.00 0.00 C ATOM 185 CG GLU A 13 -8.500 -4.203 2.788 1.00 0.00 C ATOM 186 CD GLU A 13 -9.454 -4.813 1.757 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.583 -5.099 2.121 1.00 0.00 O ATOM 188 OE2 GLU A 13 -9.040 -4.980 0.622 1.00 0.00 O ATOM 0 H GLU A 13 -7.413 -5.110 4.853 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.917 -2.263 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.733 -4.739 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.093 -3.161 3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.023 -3.313 2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.705 -4.909 3.026 1.00 0.00 H new ATOM 195 N SER A 14 -9.856 -3.802 6.866 1.00 0.00 N ATOM 196 CA SER A 14 -10.634 -3.545 8.113 1.00 0.00 C ATOM 197 C SER A 14 -9.774 -2.845 9.167 1.00 0.00 C ATOM 198 O SER A 14 -10.167 -1.844 9.731 1.00 0.00 O ATOM 199 CB SER A 14 -11.054 -4.926 8.611 1.00 0.00 C ATOM 200 OG SER A 14 -11.518 -5.705 7.518 1.00 0.00 O ATOM 0 H SER A 14 -9.969 -4.735 6.471 1.00 0.00 H new ATOM 0 HA SER A 14 -11.486 -2.892 7.924 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.211 -5.422 9.092 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.839 -4.830 9.362 1.00 0.00 H new ATOM 0 HG SER A 14 -11.786 -6.592 7.838 1.00 0.00 H new ATOM 206 N VAL A 15 -8.610 -3.362 9.451 1.00 0.00 N ATOM 207 CA VAL A 15 -7.748 -2.715 10.481 1.00 0.00 C ATOM 208 C VAL A 15 -7.465 -1.261 10.098 1.00 0.00 C ATOM 209 O VAL A 15 -7.620 -0.362 10.901 1.00 0.00 O ATOM 210 CB VAL A 15 -6.464 -3.541 10.514 1.00 0.00 C ATOM 211 CG1 VAL A 15 -6.791 -4.937 11.046 1.00 0.00 C ATOM 212 CG2 VAL A 15 -5.874 -3.649 9.108 1.00 0.00 C ATOM 0 H VAL A 15 -8.220 -4.199 9.018 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.225 -2.689 11.461 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.733 -3.057 11.162 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.882 -5.538 11.075 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.204 -4.856 12.051 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.521 -5.414 10.392 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.959 -4.240 9.142 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.594 -4.133 8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.648 -2.652 8.731 1.00 0.00 H new ATOM 222 N LYS A 16 -7.067 -1.010 8.880 1.00 0.00 N ATOM 223 CA LYS A 16 -6.803 0.399 8.477 1.00 0.00 C ATOM 224 C LYS A 16 -8.010 1.252 8.864 1.00 0.00 C ATOM 225 O LYS A 16 -7.887 2.257 9.535 1.00 0.00 O ATOM 226 CB LYS A 16 -6.620 0.364 6.960 1.00 0.00 C ATOM 227 CG LYS A 16 -6.295 1.770 6.453 1.00 0.00 C ATOM 228 CD LYS A 16 -6.008 1.718 4.952 1.00 0.00 C ATOM 229 CE LYS A 16 -7.311 1.446 4.199 1.00 0.00 C ATOM 230 NZ LYS A 16 -8.132 2.671 4.407 1.00 0.00 N ATOM 0 H LYS A 16 -6.915 -1.711 8.155 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.925 0.825 8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.817 -0.324 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.527 -0.006 6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.130 2.442 6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.432 2.169 6.985 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.572 2.661 4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.279 0.937 4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.126 1.269 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.815 0.561 4.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.719 2.843 3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.746 2.541 5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.506 3.486 4.565 1.00 0.00 H new ATOM 244 N LYS A 17 -9.184 0.835 8.476 1.00 0.00 N ATOM 245 CA LYS A 17 -10.401 1.598 8.858 1.00 0.00 C ATOM 246 C LYS A 17 -10.591 1.467 10.368 1.00 0.00 C ATOM 247 O LYS A 17 -10.632 2.445 11.083 1.00 0.00 O ATOM 248 CB LYS A 17 -11.553 0.934 8.103 1.00 0.00 C ATOM 249 CG LYS A 17 -11.352 1.119 6.597 1.00 0.00 C ATOM 250 CD LYS A 17 -12.568 0.567 5.850 1.00 0.00 C ATOM 251 CE LYS A 17 -12.316 0.636 4.342 1.00 0.00 C ATOM 252 NZ LYS A 17 -11.263 -0.386 4.083 1.00 0.00 N ATOM 0 H LYS A 17 -9.351 0.001 7.913 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.340 2.659 8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.597 -0.127 8.347 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.503 1.372 8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.217 2.175 6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.448 0.603 6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.756 -0.464 6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.458 1.142 6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.224 0.419 3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.984 1.630 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.348 -0.732 3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.324 0.040 4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.381 -1.181 4.743 1.00 0.00 H new ATOM 266 N LEU A 18 -10.695 0.249 10.843 1.00 0.00 N ATOM 267 CA LEU A 18 -10.869 -0.009 12.308 1.00 0.00 C ATOM 268 C LEU A 18 -10.944 1.301 13.101 1.00 0.00 C ATOM 269 O LEU A 18 -11.993 1.678 13.582 1.00 0.00 O ATOM 270 CB LEU A 18 -9.629 -0.814 12.703 1.00 0.00 C ATOM 271 CG LEU A 18 -10.001 -1.857 13.758 1.00 0.00 C ATOM 272 CD1 LEU A 18 -8.725 -2.476 14.333 1.00 0.00 C ATOM 273 CD2 LEU A 18 -10.796 -1.192 14.882 1.00 0.00 C ATOM 0 H LEU A 18 -10.666 -0.592 10.267 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.797 -0.539 12.523 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.209 -1.305 11.825 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.861 -0.147 13.093 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.610 -2.635 13.298 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.988 -3.220 15.085 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.160 -2.954 13.533 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.117 -1.696 14.791 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.059 -1.938 15.632 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.191 -0.412 15.343 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.705 -0.752 14.473 1.00 0.00 H new ATOM 285 N LYS A 19 -9.852 2.004 13.238 1.00 0.00 N ATOM 286 CA LYS A 19 -9.905 3.289 13.996 1.00 0.00 C ATOM 287 C LYS A 19 -11.071 4.134 13.476 1.00 0.00 C ATOM 288 O LYS A 19 -11.982 4.472 14.205 1.00 0.00 O ATOM 289 CB LYS A 19 -8.570 3.982 13.723 1.00 0.00 C ATOM 290 CG LYS A 19 -8.450 5.217 14.621 1.00 0.00 C ATOM 291 CD LYS A 19 -7.099 5.896 14.384 1.00 0.00 C ATOM 292 CE LYS A 19 -6.952 7.084 15.340 1.00 0.00 C ATOM 293 NZ LYS A 19 -5.672 7.737 14.947 1.00 0.00 N ATOM 0 H LYS A 19 -8.938 1.750 12.864 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.058 3.139 15.065 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.745 3.296 13.915 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.505 4.272 12.674 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.261 5.914 14.408 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.544 4.928 15.668 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.289 5.184 14.543 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.026 6.235 13.351 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.792 7.773 15.246 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.925 6.754 16.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.501 8.561 15.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.890 7.060 15.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.730 8.046 13.956 1.00 0.00 H new ATOM 307 N ASP A 20 -11.055 4.458 12.212 1.00 0.00 N ATOM 308 CA ASP A 20 -12.168 5.259 11.627 1.00 0.00 C ATOM 309 C ASP A 20 -13.004 4.371 10.702 1.00 0.00 C ATOM 310 O ASP A 20 -12.659 4.151 9.558 1.00 0.00 O ATOM 311 CB ASP A 20 -11.482 6.370 10.831 1.00 0.00 C ATOM 312 CG ASP A 20 -12.540 7.308 10.249 1.00 0.00 C ATOM 313 OD1 ASP A 20 -12.980 8.191 10.967 1.00 0.00 O ATOM 314 OD2 ASP A 20 -12.895 7.127 9.095 1.00 0.00 O ATOM 0 H ASP A 20 -10.316 4.202 11.557 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.839 5.663 12.385 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.802 6.927 11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.881 5.940 10.029 1.00 0.00 H new ATOM 319 N LEU A 21 -14.094 3.845 11.192 1.00 0.00 N ATOM 320 CA LEU A 21 -14.940 2.960 10.340 1.00 0.00 C ATOM 321 C LEU A 21 -16.077 3.752 9.691 1.00 0.00 C ATOM 322 O LEU A 21 -16.702 4.588 10.314 1.00 0.00 O ATOM 323 CB LEU A 21 -15.502 1.909 11.298 1.00 0.00 C ATOM 324 CG LEU A 21 -16.283 0.860 10.504 1.00 0.00 C ATOM 325 CD1 LEU A 21 -15.310 0.014 9.682 1.00 0.00 C ATOM 326 CD2 LEU A 21 -17.055 -0.042 11.470 1.00 0.00 C ATOM 0 H LEU A 21 -14.435 3.989 12.143 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.368 2.514 9.526 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.691 1.433 11.849 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.153 2.383 12.033 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.984 1.359 9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.866 -0.733 9.116 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.762 0.656 8.993 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.608 -0.485 10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.611 -0.789 10.904 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.355 -0.541 12.140 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -17.749 0.561 12.055 1.00 0.00 H new ATOM 518 N ARG A 33 -2.967 -0.013 0.682 1.00 0.00 N ATOM 519 CA ARG A 33 -3.674 0.667 1.804 1.00 0.00 C ATOM 520 C ARG A 33 -2.694 0.947 2.948 1.00 0.00 C ATOM 521 O ARG A 33 -2.850 0.455 4.047 1.00 0.00 O ATOM 522 CB ARG A 33 -4.755 -0.319 2.250 1.00 0.00 C ATOM 523 CG ARG A 33 -5.729 -0.558 1.096 1.00 0.00 C ATOM 524 CD ARG A 33 -6.862 -1.474 1.564 1.00 0.00 C ATOM 525 NE ARG A 33 -7.622 -1.802 0.325 1.00 0.00 N ATOM 526 CZ ARG A 33 -8.747 -1.193 0.069 1.00 0.00 C ATOM 527 NH1 ARG A 33 -9.638 -1.045 1.011 1.00 0.00 N ATOM 528 NH2 ARG A 33 -8.980 -0.733 -1.130 1.00 0.00 N ATOM 0 HA ARG A 33 -4.099 1.625 1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.300 -1.260 2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.288 0.075 3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.135 0.391 0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.206 -1.010 0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.472 -2.374 2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.496 -0.976 2.297 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.263 -2.503 -0.323 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.455 -1.405 1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.518 -0.569 0.811 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.283 -0.850 -1.865 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.859 -0.257 -1.332 1.00 0.00 H new ATOM 542 N ASN A 34 -1.684 1.733 2.693 1.00 0.00 N ATOM 543 CA ASN A 34 -0.691 2.044 3.762 1.00 0.00 C ATOM 544 C ASN A 34 -1.131 3.278 4.553 1.00 0.00 C ATOM 545 O ASN A 34 -0.353 3.879 5.267 1.00 0.00 O ATOM 546 CB ASN A 34 0.614 2.323 3.016 1.00 0.00 C ATOM 547 CG ASN A 34 1.082 1.048 2.311 1.00 0.00 C ATOM 548 OD1 ASN A 34 0.651 -0.038 2.646 1.00 0.00 O ATOM 549 ND2 ASN A 34 1.952 1.134 1.342 1.00 0.00 N ATOM 0 H ASN A 34 -1.503 2.174 1.791 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.587 1.230 4.479 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.466 3.120 2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.378 2.667 3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.270 0.290 0.866 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.314 2.045 1.061 1.00 0.00 H new ATOM 619 N PRO A 39 -0.262 3.153 15.772 1.00 0.00 N ATOM 620 CA PRO A 39 -0.371 2.253 16.944 1.00 0.00 C ATOM 621 C PRO A 39 -0.449 3.067 18.239 1.00 0.00 C ATOM 622 O PRO A 39 -0.132 4.239 18.267 1.00 0.00 O ATOM 623 CB PRO A 39 0.932 1.452 16.874 1.00 0.00 C ATOM 624 CG PRO A 39 1.744 1.932 15.654 1.00 0.00 C ATOM 625 CD PRO A 39 0.963 3.047 14.947 1.00 0.00 C ATOM 0 HA PRO A 39 -1.262 1.625 16.935 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.509 1.588 17.789 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.716 0.387 16.789 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.720 2.298 15.971 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.921 1.103 14.969 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.521 3.983 14.927 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.735 2.790 13.913 1.00 0.00 H new ATOM 633 N GLY A 40 -0.871 2.454 19.311 1.00 0.00 N ATOM 634 CA GLY A 40 -0.969 3.194 20.601 1.00 0.00 C ATOM 635 C GLY A 40 -2.432 3.555 20.871 1.00 0.00 C ATOM 636 O GLY A 40 -2.748 4.224 21.834 1.00 0.00 O ATOM 0 H GLY A 40 -1.152 1.474 19.349 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.578 2.583 21.414 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.361 4.098 20.561 1.00 0.00 H new ATOM 640 N GLU A 41 -3.326 3.119 20.026 1.00 0.00 N ATOM 641 CA GLU A 41 -4.768 3.439 20.234 1.00 0.00 C ATOM 642 C GLU A 41 -5.582 2.147 20.364 1.00 0.00 C ATOM 643 O GLU A 41 -6.158 1.678 19.402 1.00 0.00 O ATOM 644 CB GLU A 41 -5.186 4.212 18.983 1.00 0.00 C ATOM 645 CG GLU A 41 -5.338 5.696 19.330 1.00 0.00 C ATOM 646 CD GLU A 41 -6.823 6.049 19.414 1.00 0.00 C ATOM 647 OE1 GLU A 41 -7.613 5.151 19.656 1.00 0.00 O ATOM 648 OE2 GLU A 41 -7.146 7.212 19.236 1.00 0.00 O ATOM 0 H GLU A 41 -3.121 2.555 19.201 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.937 4.014 21.144 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.441 4.085 18.198 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.126 3.819 18.597 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.848 5.911 20.280 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.849 6.310 18.573 1.00 0.00 H new ATOM 655 N PRO A 42 -5.600 1.612 21.557 1.00 0.00 N ATOM 656 CA PRO A 42 -6.346 0.361 21.827 1.00 0.00 C ATOM 657 C PRO A 42 -7.840 0.557 21.560 1.00 0.00 C ATOM 658 O PRO A 42 -8.408 1.585 21.873 1.00 0.00 O ATOM 659 CB PRO A 42 -6.078 0.126 23.316 1.00 0.00 C ATOM 660 CG PRO A 42 -5.182 1.263 23.845 1.00 0.00 C ATOM 661 CD PRO A 42 -4.877 2.229 22.692 1.00 0.00 C ATOM 0 HA PRO A 42 -6.042 -0.476 21.198 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.017 0.097 23.869 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.591 -0.838 23.464 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.682 1.791 24.657 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.256 0.856 24.251 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.235 3.237 22.902 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.807 2.305 22.498 1.00 0.00 H new ATOM 669 N VAL A 43 -8.482 -0.423 20.986 1.00 0.00 N ATOM 670 CA VAL A 43 -9.940 -0.294 20.701 1.00 0.00 C ATOM 671 C VAL A 43 -10.619 -1.663 20.796 1.00 0.00 C ATOM 672 O VAL A 43 -11.124 -2.184 19.822 1.00 0.00 O ATOM 673 CB VAL A 43 -10.020 0.245 19.274 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.496 -0.811 18.298 1.00 0.00 C ATOM 675 CG2 VAL A 43 -11.474 0.578 18.934 1.00 0.00 C ATOM 0 H VAL A 43 -8.061 -1.307 20.702 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.443 0.361 21.412 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.413 1.147 19.193 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.553 -0.426 17.280 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.459 -1.047 18.539 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.102 -1.714 18.379 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.531 0.963 17.916 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -12.082 -0.323 19.016 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.846 1.332 19.628 1.00 0.00 H new ATOM 685 N VAL A 44 -10.630 -2.250 21.961 1.00 0.00 N ATOM 686 CA VAL A 44 -11.275 -3.585 22.116 1.00 0.00 C ATOM 687 C VAL A 44 -12.209 -3.586 23.330 1.00 0.00 C ATOM 688 O VAL A 44 -12.024 -4.357 24.252 1.00 0.00 O ATOM 689 CB VAL A 44 -10.119 -4.562 22.334 1.00 0.00 C ATOM 690 CG1 VAL A 44 -10.679 -5.957 22.610 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.239 -4.605 21.084 1.00 0.00 C ATOM 0 H VAL A 44 -10.221 -1.864 22.812 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.879 -3.852 21.249 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.522 -4.232 23.184 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.856 -6.655 22.766 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.304 -5.928 23.502 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.276 -6.284 21.759 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.416 -5.302 21.242 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.834 -4.933 20.231 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.839 -3.610 20.886 1.00 0.00 H new ATOM 753 N CYS A 48 -16.562 -4.574 21.622 1.00 0.00 N ATOM 754 CA CYS A 48 -15.774 -4.136 20.435 1.00 0.00 C ATOM 755 C CYS A 48 -16.193 -2.724 20.024 1.00 0.00 C ATOM 756 O CYS A 48 -17.348 -2.357 20.113 1.00 0.00 O ATOM 757 CB CYS A 48 -16.114 -5.143 19.335 1.00 0.00 C ATOM 758 SG CYS A 48 -15.521 -6.785 19.815 1.00 0.00 S ATOM 0 HA CYS A 48 -14.703 -4.106 20.635 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -17.191 -5.168 19.170 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.654 -4.839 18.394 1.00 0.00 H new ATOM 763 N SER A 49 -15.265 -1.927 19.579 1.00 0.00 N ATOM 764 CA SER A 49 -15.616 -0.541 19.169 1.00 0.00 C ATOM 765 C SER A 49 -16.448 -0.563 17.887 1.00 0.00 C ATOM 766 O SER A 49 -17.647 -0.372 17.906 1.00 0.00 O ATOM 767 CB SER A 49 -14.277 0.156 18.932 1.00 0.00 C ATOM 768 OG SER A 49 -14.504 1.519 18.606 1.00 0.00 O ATOM 0 H SER A 49 -14.280 -2.174 19.481 1.00 0.00 H new ATOM 0 HA SER A 49 -16.212 -0.027 19.923 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.654 0.083 19.824 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.736 -0.337 18.124 1.00 0.00 H new ATOM 0 HG SER A 49 -13.714 1.883 18.154 1.00 0.00 H new ATOM 774 N ASN A 50 -15.818 -0.790 16.770 1.00 0.00 N ATOM 775 CA ASN A 50 -16.565 -0.822 15.482 1.00 0.00 C ATOM 776 C ASN A 50 -17.255 -2.176 15.289 1.00 0.00 C ATOM 777 O ASN A 50 -16.597 -3.191 15.162 1.00 0.00 O ATOM 778 CB ASN A 50 -15.502 -0.604 14.407 1.00 0.00 C ATOM 779 CG ASN A 50 -15.268 0.896 14.227 1.00 0.00 C ATOM 780 OD1 ASN A 50 -14.142 1.350 14.230 1.00 0.00 O ATOM 781 ND2 ASN A 50 -16.292 1.689 14.075 1.00 0.00 N ATOM 0 H ASN A 50 -14.814 -0.955 16.693 1.00 0.00 H new ATOM 0 HA ASN A 50 -17.350 -0.066 15.445 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.573 -1.097 14.692 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.823 -1.049 13.466 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.147 2.692 13.958 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -17.237 1.306 14.073 1.00 0.00 H new ATOM 788 N PRO A 51 -18.563 -2.151 15.258 1.00 0.00 N ATOM 789 CA PRO A 51 -19.350 -3.392 15.061 1.00 0.00 C ATOM 790 C PRO A 51 -19.083 -3.988 13.674 1.00 0.00 C ATOM 791 O PRO A 51 -19.656 -4.992 13.300 1.00 0.00 O ATOM 792 CB PRO A 51 -20.794 -2.895 15.171 1.00 0.00 C ATOM 793 CG PRO A 51 -20.777 -1.376 15.427 1.00 0.00 C ATOM 794 CD PRO A 51 -19.322 -0.889 15.423 1.00 0.00 C ATOM 0 HA PRO A 51 -19.107 -4.180 15.774 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -21.341 -3.117 14.255 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -21.309 -3.409 15.982 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -21.350 -0.858 14.659 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -21.248 -1.149 16.383 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -19.130 -0.190 14.609 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -19.063 -0.377 16.350 1.00 0.00 H new ATOM 802 N ASN A 52 -18.217 -3.379 12.908 1.00 0.00 N ATOM 803 CA ASN A 52 -17.917 -3.913 11.550 1.00 0.00 C ATOM 804 C ASN A 52 -16.403 -3.941 11.319 1.00 0.00 C ATOM 805 O ASN A 52 -15.931 -3.785 10.210 1.00 0.00 O ATOM 806 CB ASN A 52 -18.594 -2.941 10.584 1.00 0.00 C ATOM 807 CG ASN A 52 -20.110 -3.010 10.771 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.622 -3.952 11.345 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.857 -2.046 10.307 1.00 0.00 N ATOM 0 H ASN A 52 -17.705 -2.535 13.165 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.277 -4.933 11.415 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.240 -1.926 10.765 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.332 -3.191 9.556 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.869 -2.083 10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -20.429 -1.255 9.825 1.00 0.00 H new ATOM 816 N PHE A 53 -15.641 -4.148 12.358 1.00 0.00 N ATOM 817 CA PHE A 53 -14.158 -4.198 12.201 1.00 0.00 C ATOM 818 C PHE A 53 -13.764 -5.542 11.586 1.00 0.00 C ATOM 819 O PHE A 53 -14.623 -6.336 11.261 1.00 0.00 O ATOM 820 CB PHE A 53 -13.607 -4.053 13.626 1.00 0.00 C ATOM 821 CG PHE A 53 -13.663 -5.387 14.341 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.883 -5.862 14.838 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.496 -6.144 14.511 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.936 -7.094 15.504 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.550 -7.377 15.176 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.770 -7.850 15.671 1.00 0.00 C ATOM 0 H PHE A 53 -15.981 -4.285 13.310 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.767 -3.420 11.546 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.579 -3.692 13.592 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.187 -3.312 14.176 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.783 -5.279 14.708 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.554 -5.777 14.130 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.877 -7.460 15.888 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.651 -7.961 15.306 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.812 -8.800 16.183 1.00 0.00 H new ATOM 836 N PRO A 54 -12.482 -5.769 11.444 1.00 0.00 N ATOM 837 CA PRO A 54 -12.006 -7.044 10.867 1.00 0.00 C ATOM 838 C PRO A 54 -12.554 -8.222 11.675 1.00 0.00 C ATOM 839 O PRO A 54 -11.847 -8.859 12.426 1.00 0.00 O ATOM 840 CB PRO A 54 -10.484 -6.923 10.992 1.00 0.00 C ATOM 841 CG PRO A 54 -10.146 -5.555 11.617 1.00 0.00 C ATOM 842 CD PRO A 54 -11.452 -4.783 11.850 1.00 0.00 C ATOM 0 HA PRO A 54 -12.328 -7.220 9.841 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.091 -7.729 11.612 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.016 -7.017 10.012 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.615 -5.691 12.559 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.486 -4.991 10.957 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.566 -4.482 12.892 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.500 -3.875 11.249 1.00 0.00 H new ATOM 850 N GLU A 55 -13.822 -8.501 11.528 1.00 0.00 N ATOM 851 CA GLU A 55 -14.437 -9.626 12.287 1.00 0.00 C ATOM 852 C GLU A 55 -13.508 -10.842 12.280 1.00 0.00 C ATOM 853 O GLU A 55 -13.425 -11.572 13.247 1.00 0.00 O ATOM 854 CB GLU A 55 -15.744 -9.930 11.557 1.00 0.00 C ATOM 855 CG GLU A 55 -16.527 -10.984 12.342 1.00 0.00 C ATOM 856 CD GLU A 55 -17.797 -11.353 11.575 1.00 0.00 C ATOM 857 OE1 GLU A 55 -17.975 -10.844 10.481 1.00 0.00 O ATOM 858 OE2 GLU A 55 -18.571 -12.140 12.095 1.00 0.00 O ATOM 0 H GLU A 55 -14.459 -7.996 10.913 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.610 -9.374 13.333 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.337 -9.021 11.455 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.536 -10.290 10.549 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.911 -11.870 12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.784 -10.601 13.329 1.00 0.00 H new ATOM 865 N GLU A 56 -12.792 -11.056 11.210 1.00 0.00 N ATOM 866 CA GLU A 56 -11.857 -12.216 11.172 1.00 0.00 C ATOM 867 C GLU A 56 -10.913 -12.129 12.375 1.00 0.00 C ATOM 868 O GLU A 56 -10.283 -13.092 12.766 1.00 0.00 O ATOM 869 CB GLU A 56 -11.085 -12.064 9.860 1.00 0.00 C ATOM 870 CG GLU A 56 -12.050 -12.212 8.681 1.00 0.00 C ATOM 871 CD GLU A 56 -11.265 -12.167 7.368 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.077 -11.894 7.420 1.00 0.00 O ATOM 873 OE2 GLU A 56 -11.865 -12.407 6.334 1.00 0.00 O ATOM 0 H GLU A 56 -12.813 -10.483 10.367 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.366 -13.179 11.220 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.596 -11.090 9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.300 -12.817 9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.594 -13.153 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.791 -11.413 8.701 1.00 0.00 H new ATOM 880 N LEU A 57 -10.834 -10.968 12.970 1.00 0.00 N ATOM 881 CA LEU A 57 -9.960 -10.778 14.160 1.00 0.00 C ATOM 882 C LEU A 57 -10.806 -10.889 15.427 1.00 0.00 C ATOM 883 O LEU A 57 -10.374 -10.565 16.517 1.00 0.00 O ATOM 884 CB LEU A 57 -9.403 -9.365 14.008 1.00 0.00 C ATOM 885 CG LEU A 57 -8.332 -9.368 12.921 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.972 -9.684 11.567 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.660 -7.993 12.864 1.00 0.00 C ATOM 0 H LEU A 57 -11.345 -10.135 12.677 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.165 -11.521 14.231 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.202 -8.671 13.747 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.980 -9.023 14.953 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.585 -10.128 13.151 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.204 -9.685 10.793 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.447 -10.664 11.609 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.721 -8.928 11.333 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.895 -7.994 12.088 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.407 -7.232 12.636 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.200 -7.773 13.827 1.00 0.00 H new ATOM 899 N LYS A 58 -12.017 -11.346 15.277 1.00 0.00 N ATOM 900 CA LYS A 58 -12.927 -11.490 16.449 1.00 0.00 C ATOM 901 C LYS A 58 -12.163 -12.012 17.668 1.00 0.00 C ATOM 902 O LYS A 58 -12.228 -11.423 18.730 1.00 0.00 O ATOM 903 CB LYS A 58 -13.984 -12.501 16.005 1.00 0.00 C ATOM 904 CG LYS A 58 -15.294 -11.768 15.707 1.00 0.00 C ATOM 905 CD LYS A 58 -16.404 -12.325 16.598 1.00 0.00 C ATOM 906 CE LYS A 58 -17.711 -12.389 15.806 1.00 0.00 C ATOM 907 NZ LYS A 58 -18.526 -13.425 16.499 1.00 0.00 N ATOM 0 H LYS A 58 -12.420 -11.629 14.384 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.367 -10.537 16.744 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.643 -13.035 15.118 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.141 -13.246 16.785 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.173 -10.699 15.884 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.560 -11.890 14.657 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.134 -13.319 16.955 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.530 -11.694 17.478 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.218 -11.424 15.802 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.530 -12.659 14.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.441 -13.528 16.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.020 -14.334 16.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.687 -13.137 17.485 1.00 0.00 H new ATOM 921 N PRO A 59 -11.455 -13.099 17.488 1.00 0.00 N ATOM 922 CA PRO A 59 -10.675 -13.682 18.601 1.00 0.00 C ATOM 923 C PRO A 59 -9.764 -12.622 19.221 1.00 0.00 C ATOM 924 O PRO A 59 -9.651 -12.519 20.426 1.00 0.00 O ATOM 925 CB PRO A 59 -9.879 -14.792 17.909 1.00 0.00 C ATOM 926 CG PRO A 59 -10.256 -14.806 16.413 1.00 0.00 C ATOM 927 CD PRO A 59 -11.386 -13.794 16.181 1.00 0.00 C ATOM 0 HA PRO A 59 -11.282 -14.056 19.425 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.809 -14.621 18.028 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.101 -15.757 18.364 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.390 -14.551 15.803 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.575 -15.804 16.113 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.157 -13.107 15.366 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.327 -14.284 15.930 1.00 0.00 H new ATOM 935 N LEU A 60 -9.119 -11.824 18.413 1.00 0.00 N ATOM 936 CA LEU A 60 -8.232 -10.771 18.977 1.00 0.00 C ATOM 937 C LEU A 60 -9.051 -9.815 19.844 1.00 0.00 C ATOM 938 O LEU A 60 -8.589 -9.329 20.855 1.00 0.00 O ATOM 939 CB LEU A 60 -7.661 -10.038 17.764 1.00 0.00 C ATOM 940 CG LEU A 60 -6.431 -10.787 17.255 1.00 0.00 C ATOM 941 CD1 LEU A 60 -6.851 -12.167 16.750 1.00 0.00 C ATOM 942 CD2 LEU A 60 -5.789 -9.996 16.112 1.00 0.00 C ATOM 0 H LEU A 60 -9.168 -11.856 17.395 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.444 -11.184 19.607 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.413 -9.972 16.977 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.393 -9.017 18.035 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.711 -10.900 18.065 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.975 -12.704 16.386 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.308 -12.729 17.564 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.570 -12.054 15.939 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.911 -10.530 15.748 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.507 -9.883 15.300 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.491 -9.012 16.473 1.00 0.00 H new ATOM 954 N CYS A 61 -10.270 -9.547 19.460 1.00 0.00 N ATOM 955 CA CYS A 61 -11.119 -8.626 20.269 1.00 0.00 C ATOM 956 C CYS A 61 -11.440 -9.259 21.625 1.00 0.00 C ATOM 957 O CYS A 61 -11.631 -8.574 22.611 1.00 0.00 O ATOM 958 CB CYS A 61 -12.397 -8.442 19.448 1.00 0.00 C ATOM 959 SG CYS A 61 -13.529 -7.336 20.327 1.00 0.00 S ATOM 0 H CYS A 61 -10.714 -9.925 18.623 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.623 -7.676 20.470 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.156 -8.029 18.469 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.874 -9.407 19.278 1.00 0.00 H new ATOM 964 N LYS A 62 -11.492 -10.561 21.688 1.00 0.00 N ATOM 965 CA LYS A 62 -11.791 -11.233 22.983 1.00 0.00 C ATOM 966 C LYS A 62 -10.503 -11.819 23.553 1.00 0.00 C ATOM 967 O LYS A 62 -10.518 -12.759 24.323 1.00 0.00 O ATOM 968 CB LYS A 62 -12.780 -12.348 22.638 1.00 0.00 C ATOM 969 CG LYS A 62 -14.068 -11.738 22.082 1.00 0.00 C ATOM 970 CD LYS A 62 -15.094 -12.848 21.842 1.00 0.00 C ATOM 971 CE LYS A 62 -16.337 -12.259 21.171 1.00 0.00 C ATOM 972 NZ LYS A 62 -17.489 -12.898 21.870 1.00 0.00 N ATOM 0 H LYS A 62 -11.340 -11.188 20.898 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.202 -10.551 23.727 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.340 -13.024 21.905 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.000 -12.940 23.526 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.467 -11.004 22.782 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.861 -11.211 21.150 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.663 -13.626 21.213 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.366 -13.317 22.788 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.365 -11.174 21.274 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.351 -12.479 20.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.380 -12.545 21.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.439 -13.930 21.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.452 -12.666 22.883 1.00 0.00 H new ATOM 986 N GLU A 63 -9.387 -11.272 23.165 1.00 0.00 N ATOM 987 CA GLU A 63 -8.086 -11.793 23.659 1.00 0.00 C ATOM 988 C GLU A 63 -7.362 -10.731 24.486 1.00 0.00 C ATOM 989 O GLU A 63 -7.373 -9.566 24.142 1.00 0.00 O ATOM 990 CB GLU A 63 -7.295 -12.095 22.386 1.00 0.00 C ATOM 991 CG GLU A 63 -7.128 -13.605 22.207 1.00 0.00 C ATOM 992 CD GLU A 63 -8.336 -14.347 22.788 1.00 0.00 C ATOM 993 OE1 GLU A 63 -9.447 -14.023 22.402 1.00 0.00 O ATOM 994 OE2 GLU A 63 -8.128 -15.227 23.607 1.00 0.00 O ATOM 0 H GLU A 63 -9.321 -10.482 22.523 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.205 -12.666 24.301 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.810 -11.675 21.522 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.316 -11.618 22.437 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.021 -13.843 21.149 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.216 -13.938 22.702 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.738 -11.168 25.546 1.00 0.00 N ATOM 1002 CA PRO A 64 -5.984 -10.243 26.415 1.00 0.00 C ATOM 1003 C PRO A 64 -4.815 -9.636 25.632 1.00 0.00 C ATOM 1004 O PRO A 64 -4.397 -8.524 25.883 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.486 -11.162 27.534 1.00 0.00 C ATOM 1006 CG PRO A 64 -5.982 -12.595 27.255 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.757 -12.598 25.931 1.00 0.00 C ATOM 0 HA PRO A 64 -6.568 -9.402 26.788 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.397 -11.142 27.583 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.855 -10.816 28.499 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.138 -13.283 27.201 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.622 -12.939 28.068 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.277 -13.227 25.181 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.773 -12.971 26.056 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.282 -10.368 24.687 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.135 -9.837 23.891 1.00 0.00 C ATOM 1017 C ASN A 65 -3.632 -8.884 22.798 1.00 0.00 C ATOM 1018 O ASN A 65 -2.852 -8.236 22.129 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.483 -11.073 23.270 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.026 -12.021 24.379 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -1.864 -11.616 25.513 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -1.808 -13.276 24.098 1.00 0.00 N ATOM 0 H ASN A 65 -4.590 -11.307 24.433 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.437 -9.269 24.506 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.191 -11.579 22.613 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.632 -10.778 22.656 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.502 -13.917 24.830 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.944 -13.617 23.146 1.00 0.00 H new ATOM 1029 N ALA A 66 -4.921 -8.788 22.613 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.456 -7.871 21.565 1.00 0.00 C ATOM 1031 C ALA A 66 -4.756 -6.514 21.649 1.00 0.00 C ATOM 1032 O ALA A 66 -4.444 -5.899 20.648 1.00 0.00 O ATOM 1033 CB ALA A 66 -6.941 -7.723 21.888 1.00 0.00 C ATOM 0 H ALA A 66 -5.625 -9.303 23.141 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.294 -8.255 20.558 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.408 -7.060 21.159 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.421 -8.701 21.849 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.056 -7.302 22.887 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.510 -6.041 22.839 1.00 0.00 N ATOM 1040 CA GLN A 67 -3.833 -4.723 22.995 1.00 0.00 C ATOM 1041 C GLN A 67 -2.448 -4.755 22.341 1.00 0.00 C ATOM 1042 O GLN A 67 -2.040 -3.815 21.688 1.00 0.00 O ATOM 1043 CB GLN A 67 -3.707 -4.520 24.504 1.00 0.00 C ATOM 1044 CG GLN A 67 -5.101 -4.374 25.117 1.00 0.00 C ATOM 1045 CD GLN A 67 -4.976 -4.181 26.629 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -3.940 -4.450 27.205 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -5.995 -3.722 27.302 1.00 0.00 N ATOM 0 H GLN A 67 -4.749 -6.511 23.712 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.389 -3.916 22.518 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.187 -5.366 24.953 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.111 -3.632 24.714 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.618 -3.523 24.673 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.699 -5.259 24.901 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.865 -3.496 26.820 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.922 -3.589 28.311 1.00 0.00 H new ATOM 1056 N GLU A 68 -1.726 -5.830 22.503 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.374 -5.918 21.882 1.00 0.00 C ATOM 1058 C GLU A 68 -0.503 -6.285 20.402 1.00 0.00 C ATOM 1059 O GLU A 68 0.231 -5.801 19.564 1.00 0.00 O ATOM 1060 CB GLU A 68 0.350 -7.026 22.650 1.00 0.00 C ATOM 1061 CG GLU A 68 1.794 -7.128 22.155 1.00 0.00 C ATOM 1062 CD GLU A 68 2.473 -8.337 22.803 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.810 -9.032 23.553 1.00 0.00 O ATOM 1064 OE2 GLU A 68 3.647 -8.544 22.538 1.00 0.00 O ATOM 0 H GLU A 68 -2.013 -6.650 23.038 1.00 0.00 H new ATOM 0 HA GLU A 68 0.167 -4.973 21.933 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.335 -6.813 23.719 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.163 -7.977 22.508 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.811 -7.227 21.070 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.339 -6.217 22.401 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.436 -7.138 20.076 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.616 -7.535 18.651 1.00 0.00 C ATOM 1073 C ILE A 69 -2.086 -6.336 17.824 1.00 0.00 C ATOM 1074 O ILE A 69 -1.637 -6.120 16.717 1.00 0.00 O ATOM 1075 CB ILE A 69 -2.688 -8.625 18.672 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.187 -9.819 19.486 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -2.986 -9.072 17.240 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.311 -10.848 19.626 1.00 0.00 C ATOM 0 H ILE A 69 -2.080 -7.576 20.734 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.688 -7.887 18.202 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.597 -8.232 19.128 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.325 -10.271 18.996 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.857 -9.489 20.471 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.750 -9.849 17.253 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.344 -8.221 16.660 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.077 -9.465 16.785 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.955 -11.699 20.206 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.160 -10.392 20.135 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.620 -11.187 18.637 1.00 0.00 H new ATOM 1090 N LEU A 70 -2.993 -5.558 18.348 1.00 0.00 N ATOM 1091 CA LEU A 70 -3.493 -4.381 17.582 1.00 0.00 C ATOM 1092 C LEU A 70 -2.336 -3.463 17.184 1.00 0.00 C ATOM 1093 O LEU A 70 -2.122 -3.194 16.018 1.00 0.00 O ATOM 1094 CB LEU A 70 -4.436 -3.654 18.535 1.00 0.00 C ATOM 1095 CG LEU A 70 -4.651 -2.224 18.035 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -5.890 -2.181 17.143 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -4.834 -1.291 19.227 1.00 0.00 C ATOM 0 H LEU A 70 -3.409 -5.686 19.271 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.990 -4.682 16.660 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.389 -4.179 18.593 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.017 -3.641 19.541 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.783 -1.901 17.460 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.046 -1.163 16.785 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.749 -2.847 16.292 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.761 -2.502 17.714 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.987 -0.272 18.871 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.701 -1.607 19.807 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.945 -1.326 19.856 1.00 0.00 H new ATOM 1109 N GLN A 71 -1.586 -2.977 18.137 1.00 0.00 N ATOM 1110 CA GLN A 71 -0.448 -2.079 17.796 1.00 0.00 C ATOM 1111 C GLN A 71 0.364 -2.696 16.658 1.00 0.00 C ATOM 1112 O GLN A 71 1.113 -2.024 15.973 1.00 0.00 O ATOM 1113 CB GLN A 71 0.384 -1.989 19.076 1.00 0.00 C ATOM 1114 CG GLN A 71 -0.451 -1.333 20.179 1.00 0.00 C ATOM 1115 CD GLN A 71 0.350 -1.317 21.482 1.00 0.00 C ATOM 1116 OE1 GLN A 71 1.328 -2.025 21.617 1.00 0.00 O ATOM 1117 NE2 GLN A 71 -0.027 -0.532 22.455 1.00 0.00 N ATOM 0 H GLN A 71 -1.712 -3.163 19.132 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.772 -1.093 17.462 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.701 -2.984 19.388 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.289 -1.408 18.895 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.719 -0.316 19.891 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.383 -1.881 20.319 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.848 0.062 22.342 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.500 -0.513 23.328 1.00 0.00 H new ATOM 1126 N ARG A 72 0.190 -3.969 16.430 1.00 0.00 N ATOM 1127 CA ARG A 72 0.923 -4.634 15.318 1.00 0.00 C ATOM 1128 C ARG A 72 0.113 -4.473 14.037 1.00 0.00 C ATOM 1129 O ARG A 72 0.573 -3.903 13.066 1.00 0.00 O ATOM 1130 CB ARG A 72 1.021 -6.108 15.719 1.00 0.00 C ATOM 1131 CG ARG A 72 2.007 -6.826 14.795 1.00 0.00 C ATOM 1132 CD ARG A 72 2.025 -8.320 15.129 1.00 0.00 C ATOM 1133 NE ARG A 72 2.569 -8.395 16.514 1.00 0.00 N ATOM 1134 CZ ARG A 72 3.741 -8.928 16.728 1.00 0.00 C ATOM 1135 NH1 ARG A 72 4.788 -8.482 16.087 1.00 0.00 N ATOM 1136 NH2 ARG A 72 3.870 -9.902 17.585 1.00 0.00 N ATOM 0 H ARG A 72 -0.429 -4.577 16.967 1.00 0.00 H new ATOM 0 HA ARG A 72 1.912 -4.211 15.144 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.350 -6.193 16.755 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.040 -6.578 15.657 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.719 -6.679 13.754 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.005 -6.404 14.913 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.025 -8.750 15.073 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.649 -8.874 14.428 1.00 0.00 H new ATOM 0 HE ARG A 72 2.025 -8.029 17.296 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.690 -7.717 15.419 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.704 -8.898 16.254 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.054 -10.249 18.090 1.00 0.00 H new ATOM 0 HH22 ARG A 72 4.787 -10.317 17.751 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.105 -4.941 14.035 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.950 -4.779 12.826 1.00 0.00 C ATOM 1152 C LEU A 73 -1.924 -3.309 12.418 1.00 0.00 C ATOM 1153 O LEU A 73 -1.657 -2.971 11.282 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.356 -5.193 13.259 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.337 -6.648 13.732 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.760 -7.091 14.070 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.774 -7.537 12.621 1.00 0.00 C ATOM 0 H LEU A 73 -1.547 -5.426 14.816 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.610 -5.374 11.979 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.707 -4.543 14.061 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.052 -5.079 12.428 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.710 -6.735 14.619 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.748 -8.127 14.407 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.160 -6.457 14.861 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.388 -7.005 13.183 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.760 -8.574 12.957 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.401 -7.451 11.734 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.759 -7.220 12.380 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.186 -2.430 13.347 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.160 -0.980 13.023 1.00 0.00 C ATOM 1171 C GLU A 74 -0.800 -0.616 12.421 1.00 0.00 C ATOM 1172 O GLU A 74 -0.718 -0.073 11.335 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.371 -0.273 14.362 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.801 -0.518 14.848 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.099 0.389 16.044 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -3.160 0.949 16.586 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.260 0.507 16.398 1.00 0.00 O ATOM 0 H GLU A 74 -2.416 -2.656 14.315 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.920 -0.694 12.296 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.657 -0.643 15.098 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.191 0.796 14.253 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.509 -0.319 14.043 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.926 -1.563 15.131 1.00 0.00 H new ATOM 1184 N GLU A 75 0.273 -0.917 13.109 1.00 0.00 N ATOM 1185 CA GLU A 75 1.619 -0.590 12.559 1.00 0.00 C ATOM 1186 C GLU A 75 1.843 -1.330 11.237 1.00 0.00 C ATOM 1187 O GLU A 75 2.157 -0.735 10.226 1.00 0.00 O ATOM 1188 CB GLU A 75 2.606 -1.075 13.622 1.00 0.00 C ATOM 1189 CG GLU A 75 4.030 -0.690 13.213 1.00 0.00 C ATOM 1190 CD GLU A 75 5.022 -1.283 14.214 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.582 -1.985 15.110 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.206 -1.025 14.069 1.00 0.00 O ATOM 0 H GLU A 75 0.273 -1.372 14.022 1.00 0.00 H new ATOM 0 HA GLU A 75 1.735 0.473 12.350 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.362 -0.633 14.588 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.530 -2.156 13.738 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.244 -1.058 12.210 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.131 0.395 13.183 1.00 0.00 H new ATOM 1199 N ILE A 76 1.679 -2.626 11.235 1.00 0.00 N ATOM 1200 CA ILE A 76 1.878 -3.398 9.974 1.00 0.00 C ATOM 1201 C ILE A 76 0.867 -2.941 8.924 1.00 0.00 C ATOM 1202 O ILE A 76 1.152 -2.908 7.744 1.00 0.00 O ATOM 1203 CB ILE A 76 1.636 -4.859 10.357 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.647 -5.277 11.426 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.804 -5.745 9.121 1.00 0.00 C ATOM 1206 CD1 ILE A 76 4.051 -4.848 10.994 1.00 0.00 C ATOM 0 H ILE A 76 1.417 -3.182 12.049 1.00 0.00 H new ATOM 0 HA ILE A 76 2.871 -3.254 9.549 1.00 0.00 H new ATOM 0 HB ILE A 76 0.625 -4.971 10.748 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.393 -4.819 12.382 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.613 -6.357 11.571 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.632 -6.786 9.394 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.085 -5.446 8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.815 -5.635 8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.773 -5.145 11.755 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.303 -5.327 10.048 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.079 -3.765 10.871 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.310 -2.576 9.346 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.335 -2.109 8.374 1.00 0.00 C ATOM 1220 C ALA A 77 -0.800 -0.895 7.616 1.00 0.00 C ATOM 1221 O ALA A 77 -1.080 -0.701 6.449 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.546 -1.724 9.224 1.00 0.00 C ATOM 0 H ALA A 77 -0.607 -2.581 10.322 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.591 -2.868 7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.347 -1.368 8.576 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.890 -2.595 9.782 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.265 -0.934 9.921 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.026 -0.076 8.274 1.00 0.00 N ATOM 1229 CA GLU A 78 0.536 1.128 7.599 1.00 0.00 C ATOM 1230 C GLU A 78 1.370 0.714 6.382 1.00 0.00 C ATOM 1231 O GLU A 78 1.335 1.352 5.349 1.00 0.00 O ATOM 1232 CB GLU A 78 1.419 1.798 8.652 1.00 0.00 C ATOM 1233 CG GLU A 78 1.917 3.143 8.118 1.00 0.00 C ATOM 1234 CD GLU A 78 2.867 3.775 9.138 1.00 0.00 C ATOM 1235 OE1 GLU A 78 3.115 3.149 10.155 1.00 0.00 O ATOM 1236 OE2 GLU A 78 3.330 4.875 8.883 1.00 0.00 O ATOM 0 H GLU A 78 0.242 -0.189 9.252 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.243 1.798 7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.856 1.946 9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.265 1.155 8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.429 3.002 7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.073 3.807 7.930 1.00 0.00 H new ATOM 1243 N ASP A 79 2.122 -0.349 6.494 1.00 0.00 N ATOM 1244 CA ASP A 79 2.956 -0.796 5.339 1.00 0.00 C ATOM 1245 C ASP A 79 3.035 -2.325 5.299 1.00 0.00 C ATOM 1246 O ASP A 79 2.907 -2.980 6.313 1.00 0.00 O ATOM 1247 CB ASP A 79 4.341 -0.201 5.591 1.00 0.00 C ATOM 1248 CG ASP A 79 4.893 -0.735 6.914 1.00 0.00 C ATOM 1249 OD1 ASP A 79 4.213 -0.595 7.917 1.00 0.00 O ATOM 1250 OD2 ASP A 79 5.986 -1.277 6.900 1.00 0.00 O ATOM 0 H ASP A 79 2.195 -0.926 7.332 1.00 0.00 H new ATOM 0 HA ASP A 79 2.539 -0.472 4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.014 -0.460 4.773 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.281 0.887 5.622 1.00 0.00 H new ATOM 1255 N PRO A 80 3.248 -2.843 4.120 1.00 0.00 N ATOM 1256 CA PRO A 80 3.350 -4.309 3.933 1.00 0.00 C ATOM 1257 C PRO A 80 4.486 -4.881 4.784 1.00 0.00 C ATOM 1258 O PRO A 80 4.290 -5.793 5.564 1.00 0.00 O ATOM 1259 CB PRO A 80 3.655 -4.436 2.438 1.00 0.00 C ATOM 1260 CG PRO A 80 3.715 -3.024 1.822 1.00 0.00 C ATOM 1261 CD PRO A 80 3.404 -1.995 2.915 1.00 0.00 C ATOM 0 HA PRO A 80 2.456 -4.855 4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.603 -4.954 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.886 -5.031 1.945 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.702 -2.838 1.399 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.997 -2.937 1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.210 -1.270 3.031 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.497 -1.431 2.695 1.00 0.00 H new ATOM 1269 N GLY A 81 5.674 -4.358 4.644 1.00 0.00 N ATOM 1270 CA GLY A 81 6.814 -4.881 5.448 1.00 0.00 C ATOM 1271 C GLY A 81 7.278 -6.216 4.864 1.00 0.00 C ATOM 1272 O GLY A 81 7.345 -6.391 3.664 1.00 0.00 O ATOM 0 H GLY A 81 5.904 -3.593 4.009 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.635 -4.164 5.443 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.511 -5.012 6.487 1.00 0.00 H new ATOM 1276 N THR A 82 7.601 -7.159 5.706 1.00 0.00 N ATOM 1277 CA THR A 82 8.061 -8.484 5.202 1.00 0.00 C ATOM 1278 C THR A 82 6.860 -9.336 4.786 1.00 0.00 C ATOM 1279 O THR A 82 6.983 -10.272 4.020 1.00 0.00 O ATOM 1280 CB THR A 82 8.787 -9.122 6.386 1.00 0.00 C ATOM 1281 OG1 THR A 82 7.853 -9.399 7.420 1.00 0.00 O ATOM 1282 CG2 THR A 82 9.860 -8.164 6.907 1.00 0.00 C ATOM 0 H THR A 82 7.566 -7.069 6.721 1.00 0.00 H new ATOM 0 HA THR A 82 8.705 -8.395 4.327 1.00 0.00 H new ATOM 0 HB THR A 82 9.259 -10.051 6.065 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.333 -9.659 8.234 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.377 -8.621 7.751 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.577 -7.954 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.392 -7.233 7.228 1.00 0.00 H new ATOM 1290 N CYS A 83 5.698 -9.020 5.284 1.00 0.00 N ATOM 1291 CA CYS A 83 4.496 -9.816 4.913 1.00 0.00 C ATOM 1292 C CYS A 83 4.340 -9.848 3.390 1.00 0.00 C ATOM 1293 O CYS A 83 4.242 -10.897 2.785 1.00 0.00 O ATOM 1294 CB CYS A 83 3.318 -9.090 5.563 1.00 0.00 C ATOM 1295 SG CYS A 83 1.766 -9.681 4.840 1.00 0.00 S ATOM 0 H CYS A 83 5.529 -8.248 5.929 1.00 0.00 H new ATOM 0 HA CYS A 83 4.564 -10.851 5.248 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.319 -9.264 6.639 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.414 -8.014 5.414 1.00 0.00 H new ATOM 1300 N GLU A 84 4.309 -8.701 2.769 1.00 0.00 N ATOM 1301 CA GLU A 84 4.148 -8.652 1.287 1.00 0.00 C ATOM 1302 C GLU A 84 5.239 -9.469 0.588 1.00 0.00 C ATOM 1303 O GLU A 84 5.029 -10.007 -0.482 1.00 0.00 O ATOM 1304 CB GLU A 84 4.282 -7.173 0.930 1.00 0.00 C ATOM 1305 CG GLU A 84 4.015 -6.981 -0.565 1.00 0.00 C ATOM 1306 CD GLU A 84 4.252 -5.518 -0.940 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.624 -4.754 -0.064 1.00 0.00 O ATOM 1308 OE2 GLU A 84 4.060 -5.184 -2.098 1.00 0.00 O ATOM 0 H GLU A 84 4.388 -7.792 3.225 1.00 0.00 H new ATOM 0 HA GLU A 84 3.195 -9.074 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.577 -6.582 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.281 -6.817 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.670 -7.628 -1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.990 -7.267 -0.802 1.00 0.00 H new ATOM 1315 N ILE A 85 6.405 -9.564 1.169 1.00 0.00 N ATOM 1316 CA ILE A 85 7.495 -10.343 0.511 1.00 0.00 C ATOM 1317 C ILE A 85 7.587 -11.746 1.117 1.00 0.00 C ATOM 1318 O ILE A 85 8.562 -12.450 0.932 1.00 0.00 O ATOM 1319 CB ILE A 85 8.775 -9.548 0.779 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.095 -9.579 2.273 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.577 -8.098 0.334 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.224 -8.592 2.574 1.00 0.00 C ATOM 0 H ILE A 85 6.649 -9.140 2.064 1.00 0.00 H new ATOM 0 HA ILE A 85 7.320 -10.475 -0.557 1.00 0.00 H new ATOM 0 HB ILE A 85 9.599 -9.993 0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.208 -9.320 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.388 -10.585 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.488 -7.531 0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.350 -8.072 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.751 -7.656 0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.452 -8.614 3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.112 -8.871 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.913 -7.586 2.290 1.00 0.00 H new ATOM 1334 N CYS A 86 6.580 -12.162 1.835 1.00 0.00 N ATOM 1335 CA CYS A 86 6.609 -13.522 2.446 1.00 0.00 C ATOM 1336 C CYS A 86 7.914 -13.732 3.217 1.00 0.00 C ATOM 1337 O CYS A 86 8.348 -14.847 3.428 1.00 0.00 O ATOM 1338 CB CYS A 86 6.526 -14.491 1.266 1.00 0.00 C ATOM 1339 SG CYS A 86 5.263 -13.926 0.097 1.00 0.00 S ATOM 0 H CYS A 86 5.738 -11.619 2.025 1.00 0.00 H new ATOM 0 HA CYS A 86 5.794 -13.670 3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.493 -14.555 0.768 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.283 -15.492 1.622 1.00 0.00 H new ATOM 1344 N ALA A 87 8.545 -12.672 3.638 1.00 0.00 N ATOM 1345 CA ALA A 87 9.822 -12.820 4.394 1.00 0.00 C ATOM 1346 C ALA A 87 9.545 -13.372 5.795 1.00 0.00 C ATOM 1347 O ALA A 87 10.448 -13.765 6.507 1.00 0.00 O ATOM 1348 CB ALA A 87 10.403 -11.408 4.476 1.00 0.00 C ATOM 0 H ALA A 87 8.234 -11.712 3.492 1.00 0.00 H new ATOM 0 HA ALA A 87 10.510 -13.513 3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.347 -11.434 5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.575 -11.026 3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.702 -10.756 4.997 1.00 0.00 H new ATOM 1354 N TYR A 88 8.302 -13.410 6.195 1.00 0.00 N ATOM 1355 CA TYR A 88 7.971 -13.943 7.549 1.00 0.00 C ATOM 1356 C TYR A 88 6.572 -14.564 7.543 1.00 0.00 C ATOM 1357 O TYR A 88 5.833 -14.447 6.585 1.00 0.00 O ATOM 1358 CB TYR A 88 8.014 -12.727 8.477 1.00 0.00 C ATOM 1359 CG TYR A 88 9.444 -12.441 8.873 1.00 0.00 C ATOM 1360 CD1 TYR A 88 10.278 -11.722 8.010 1.00 0.00 C ATOM 1361 CD2 TYR A 88 9.934 -12.892 10.104 1.00 0.00 C ATOM 1362 CE1 TYR A 88 11.603 -11.453 8.376 1.00 0.00 C ATOM 1363 CE2 TYR A 88 11.258 -12.623 10.472 1.00 0.00 C ATOM 1364 CZ TYR A 88 12.093 -11.904 9.607 1.00 0.00 C ATOM 1365 OH TYR A 88 13.399 -11.639 9.970 1.00 0.00 O ATOM 0 H TYR A 88 7.503 -13.096 5.644 1.00 0.00 H new ATOM 0 HA TYR A 88 8.664 -14.722 7.867 1.00 0.00 H new ATOM 0 HB2 TYR A 88 7.584 -11.859 7.976 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.410 -12.913 9.365 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.900 -11.374 7.060 1.00 0.00 H new ATOM 0 HD2 TYR A 88 9.291 -13.448 10.770 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.246 -10.898 7.709 1.00 0.00 H new ATOM 0 HE2 TYR A 88 11.635 -12.970 11.423 1.00 0.00 H new ATOM 0 HH TYR A 88 13.577 -12.021 10.855 1.00 0.00 H new ATOM 1375 N ALA A 89 6.201 -15.224 8.606 1.00 0.00 N ATOM 1376 CA ALA A 89 4.848 -15.849 8.660 1.00 0.00 C ATOM 1377 C ALA A 89 3.786 -14.786 8.951 1.00 0.00 C ATOM 1378 O ALA A 89 2.614 -15.082 9.076 1.00 0.00 O ATOM 1379 CB ALA A 89 4.924 -16.860 9.804 1.00 0.00 C ATOM 0 H ALA A 89 6.775 -15.358 9.439 1.00 0.00 H new ATOM 0 HA ALA A 89 4.573 -16.322 7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.963 -17.364 9.908 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.698 -17.596 9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.165 -16.342 10.732 1.00 0.00 H new ATOM 1385 N ALA A 90 4.187 -13.549 9.063 1.00 0.00 N ATOM 1386 CA ALA A 90 3.200 -12.468 9.347 1.00 0.00 C ATOM 1387 C ALA A 90 2.225 -12.317 8.178 1.00 0.00 C ATOM 1388 O ALA A 90 1.219 -11.642 8.280 1.00 0.00 O ATOM 1389 CB ALA A 90 4.039 -11.201 9.515 1.00 0.00 C ATOM 0 H ALA A 90 5.155 -13.240 8.970 1.00 0.00 H new ATOM 0 HA ALA A 90 2.600 -12.680 10.232 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.384 -10.356 9.727 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.738 -11.334 10.341 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.594 -11.008 8.597 1.00 0.00 H new ATOM 1395 N CYS A 91 2.513 -12.936 7.065 1.00 0.00 N ATOM 1396 CA CYS A 91 1.599 -12.821 5.893 1.00 0.00 C ATOM 1397 C CYS A 91 0.859 -14.140 5.663 1.00 0.00 C ATOM 1398 O CYS A 91 0.942 -15.058 6.455 1.00 0.00 O ATOM 1399 CB CYS A 91 2.511 -12.505 4.710 1.00 0.00 C ATOM 1400 SG CYS A 91 1.656 -11.388 3.572 1.00 0.00 S ATOM 0 H CYS A 91 3.340 -13.515 6.917 1.00 0.00 H new ATOM 0 HA CYS A 91 0.838 -12.054 6.039 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.435 -12.046 5.062 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.788 -13.425 4.195 1.00 0.00 H new ATOM 1405 N THR A 92 0.135 -14.241 4.583 1.00 0.00 N ATOM 1406 CA THR A 92 -0.613 -15.502 4.303 1.00 0.00 C ATOM 1407 C THR A 92 -0.771 -15.724 2.792 1.00 0.00 C ATOM 1408 O THR A 92 -1.093 -16.810 2.350 1.00 0.00 O ATOM 1409 CB THR A 92 -1.977 -15.302 4.962 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.844 -14.408 6.060 1.00 0.00 O ATOM 1411 CG2 THR A 92 -2.506 -16.648 5.459 1.00 0.00 C ATOM 0 H THR A 92 0.028 -13.507 3.883 1.00 0.00 H new ATOM 0 HA THR A 92 -0.092 -16.378 4.688 1.00 0.00 H new ATOM 0 HB THR A 92 -2.675 -14.885 4.236 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.886 -13.484 5.736 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.479 -16.505 5.929 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.607 -17.333 4.617 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.810 -17.067 6.186 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.553 -14.711 1.998 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.698 -14.878 0.524 1.00 0.00 C ATOM 1421 C GLY A 93 0.391 -15.817 -0.001 1.00 0.00 C ATOM 1422 O GLY A 93 0.248 -16.426 -1.042 1.00 0.00 O ATOM 0 H GLY A 93 -0.281 -13.777 2.305 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.683 -15.282 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.625 -13.909 0.030 1.00 0.00 H new ATOM 1426 N CYS A 94 1.480 -15.938 0.708 1.00 0.00 N ATOM 1427 CA CYS A 94 2.574 -16.835 0.246 1.00 0.00 C ATOM 1428 C CYS A 94 2.945 -17.832 1.346 1.00 0.00 C ATOM 1429 O CYS A 94 2.881 -17.458 2.505 1.00 0.00 O ATOM 1430 CB CYS A 94 3.752 -15.906 -0.054 1.00 0.00 C ATOM 1431 SG CYS A 94 3.832 -14.585 1.184 1.00 0.00 S ATOM 1432 OXT CYS A 94 3.286 -18.955 1.010 1.00 0.00 O ATOM 0 H CYS A 94 1.658 -15.454 1.588 1.00 0.00 H new ATOM 0 HA CYS A 94 2.284 -17.420 -0.627 1.00 0.00 H new ATOM 0 HB2 CYS A 94 4.683 -16.474 -0.053 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.642 -15.476 -1.050 1.00 0.00 H new