USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 491 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 21:sc= 0.264 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.8!) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -1.51 K(o=-1.5,f=-5.2!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 17 LYS NZ :NH3+ 178:sc= 0.491 (180deg=0.433) USER MOD Single : A 28 TYR OH : rot 150:sc= -0.168 USER MOD Single : A 31 THR OG1 : rot 69:sc= 1.25 USER MOD Single : A 35 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.9) USER MOD Single : A 37 MET CE :methyl -170:sc= -7.87! (180deg=-8.59!) USER MOD Single : A 38 LYS NZ :NH3+ -134:sc= -0.412 (180deg=-1.76!) USER MOD Single : A 39 ASN : amide:sc= -1.45 X(o=-1.4,f=-1.7) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= -0.136 (180deg=-0.534) USER MOD Single : A 50 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 110:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.987 -12.974 11.255 1.00 0.00 N ATOM 2 CA GLY A 1 -28.546 -12.026 12.201 1.00 0.00 C ATOM 3 C GLY A 1 -27.497 -11.096 12.778 1.00 0.00 C ATOM 4 O GLY A 1 -26.880 -11.401 13.799 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.744 -13.587 10.889 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.547 -12.459 10.466 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.269 -13.557 11.731 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.318 -11.436 11.707 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.031 -12.570 13.012 1.00 0.00 H new ATOM 8 N SER A 2 -27.292 -9.958 12.122 1.00 0.00 N ATOM 9 CA SER A 2 -26.306 -8.982 12.573 1.00 0.00 C ATOM 10 C SER A 2 -26.621 -8.506 13.987 1.00 0.00 C ATOM 11 O SER A 2 -27.776 -8.507 14.412 1.00 0.00 O ATOM 12 CB SER A 2 -26.266 -7.788 11.617 1.00 0.00 C ATOM 13 OG SER A 2 -25.777 -8.170 10.343 1.00 0.00 O ATOM 0 H SER A 2 -27.795 -9.689 11.277 1.00 0.00 H new ATOM 0 HA SER A 2 -25.329 -9.465 12.581 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.266 -7.367 11.515 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.632 -7.006 12.034 1.00 0.00 H new ATOM 0 HG SER A 2 -25.763 -7.390 9.750 1.00 0.00 H new ATOM 19 N SER A 3 -25.584 -8.100 14.712 1.00 0.00 N ATOM 20 CA SER A 3 -25.747 -7.624 16.081 1.00 0.00 C ATOM 21 C SER A 3 -24.707 -6.559 16.414 1.00 0.00 C ATOM 22 O SER A 3 -23.533 -6.693 16.072 1.00 0.00 O ATOM 23 CB SER A 3 -25.633 -8.790 17.066 1.00 0.00 C ATOM 24 OG SER A 3 -26.715 -9.692 16.915 1.00 0.00 O ATOM 0 H SER A 3 -24.622 -8.091 14.374 1.00 0.00 H new ATOM 0 HA SER A 3 -26.738 -7.179 16.169 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.692 -9.316 16.905 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.614 -8.408 18.087 1.00 0.00 H new ATOM 0 HG SER A 3 -26.618 -10.429 17.554 1.00 0.00 H new ATOM 30 N GLY A 4 -25.148 -5.499 17.085 1.00 0.00 N ATOM 31 CA GLY A 4 -24.244 -4.425 17.453 1.00 0.00 C ATOM 32 C GLY A 4 -23.500 -3.859 16.260 1.00 0.00 C ATOM 33 O GLY A 4 -22.269 -3.861 16.230 1.00 0.00 O ATOM 0 H GLY A 4 -26.115 -5.365 17.380 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.809 -3.628 17.936 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.525 -4.794 18.184 1.00 0.00 H new ATOM 37 N SER A 5 -24.247 -3.374 15.274 1.00 0.00 N ATOM 38 CA SER A 5 -23.650 -2.807 14.070 1.00 0.00 C ATOM 39 C SER A 5 -22.852 -1.550 14.400 1.00 0.00 C ATOM 40 O SER A 5 -23.366 -0.619 15.021 1.00 0.00 O ATOM 41 CB SER A 5 -24.735 -2.481 13.042 1.00 0.00 C ATOM 42 OG SER A 5 -25.604 -1.469 13.522 1.00 0.00 O ATOM 0 H SER A 5 -25.267 -3.362 15.285 1.00 0.00 H new ATOM 0 HA SER A 5 -22.971 -3.547 13.648 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.272 -2.156 12.110 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.308 -3.380 12.816 1.00 0.00 H new ATOM 0 HG SER A 5 -25.158 -0.967 14.236 1.00 0.00 H new ATOM 48 N SER A 6 -21.591 -1.529 13.980 1.00 0.00 N ATOM 49 CA SER A 6 -20.719 -0.389 14.233 1.00 0.00 C ATOM 50 C SER A 6 -20.640 0.518 13.009 1.00 0.00 C ATOM 51 O SER A 6 -19.724 0.402 12.195 1.00 0.00 O ATOM 52 CB SER A 6 -19.318 -0.867 14.619 1.00 0.00 C ATOM 53 OG SER A 6 -19.381 -2.007 15.458 1.00 0.00 O ATOM 0 H SER A 6 -21.151 -2.290 13.462 1.00 0.00 H new ATOM 0 HA SER A 6 -21.141 0.182 15.060 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.751 -1.105 13.719 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.785 -0.065 15.129 1.00 0.00 H new ATOM 0 HG SER A 6 -18.473 -2.294 15.689 1.00 0.00 H new ATOM 59 N GLY A 7 -21.608 1.420 12.885 1.00 0.00 N ATOM 60 CA GLY A 7 -21.631 2.334 11.757 1.00 0.00 C ATOM 61 C GLY A 7 -22.685 3.413 11.906 1.00 0.00 C ATOM 62 O GLY A 7 -23.759 3.326 11.313 1.00 0.00 O ATOM 0 H GLY A 7 -22.377 1.535 13.545 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.651 2.800 11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.818 1.772 10.842 1.00 0.00 H new ATOM 66 N ASN A 8 -22.378 4.432 12.702 1.00 0.00 N ATOM 67 CA ASN A 8 -23.309 5.531 12.929 1.00 0.00 C ATOM 68 C ASN A 8 -22.897 6.766 12.134 1.00 0.00 C ATOM 69 O ASN A 8 -23.743 7.520 11.655 1.00 0.00 O ATOM 70 CB ASN A 8 -23.377 5.870 14.420 1.00 0.00 C ATOM 71 CG ASN A 8 -24.400 5.028 15.158 1.00 0.00 C ATOM 72 OD1 ASN A 8 -25.374 4.559 14.570 1.00 0.00 O ATOM 73 ND2 ASN A 8 -24.182 4.834 16.454 1.00 0.00 N ATOM 0 H ASN A 8 -21.492 4.519 13.200 1.00 0.00 H new ATOM 0 HA ASN A 8 -24.295 5.214 12.590 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -22.395 5.720 14.869 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -23.625 6.925 14.539 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -24.836 4.277 17.003 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -23.360 5.242 16.900 1.00 0.00 H new ATOM 80 N GLY A 9 -21.589 6.966 11.997 1.00 0.00 N ATOM 81 CA GLY A 9 -21.087 8.110 11.259 1.00 0.00 C ATOM 82 C GLY A 9 -20.046 7.723 10.227 1.00 0.00 C ATOM 83 O GLY A 9 -20.258 6.804 9.437 1.00 0.00 O ATOM 0 H GLY A 9 -20.869 6.356 12.384 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -21.918 8.611 10.762 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -20.654 8.827 11.957 1.00 0.00 H new ATOM 87 N MET A 10 -18.919 8.426 10.233 1.00 0.00 N ATOM 88 CA MET A 10 -17.841 8.151 9.290 1.00 0.00 C ATOM 89 C MET A 10 -17.333 6.721 9.447 1.00 0.00 C ATOM 90 O MET A 10 -16.844 6.118 8.492 1.00 0.00 O ATOM 91 CB MET A 10 -16.691 9.139 9.494 1.00 0.00 C ATOM 92 CG MET A 10 -17.106 10.594 9.347 1.00 0.00 C ATOM 93 SD MET A 10 -17.651 10.996 7.676 1.00 0.00 S ATOM 94 CE MET A 10 -18.687 12.422 7.992 1.00 0.00 C ATOM 0 H MET A 10 -18.728 9.191 10.880 1.00 0.00 H new ATOM 0 HA MET A 10 -18.236 8.269 8.281 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.266 8.989 10.487 1.00 0.00 H new ATOM 0 HB3 MET A 10 -15.903 8.920 8.774 1.00 0.00 H new ATOM 0 HG2 MET A 10 -17.911 10.811 10.049 1.00 0.00 H new ATOM 0 HG3 MET A 10 -16.267 11.236 9.616 1.00 0.00 H new ATOM 0 HE1 MET A 10 -19.099 12.788 7.052 1.00 0.00 H new ATOM 0 HE2 MET A 10 -19.501 12.140 8.660 1.00 0.00 H new ATOM 0 HE3 MET A 10 -18.092 13.208 8.457 1.00 0.00 H new ATOM 104 N ASP A 11 -17.452 6.186 10.657 1.00 0.00 N ATOM 105 CA ASP A 11 -17.005 4.827 10.939 1.00 0.00 C ATOM 106 C ASP A 11 -17.599 3.841 9.938 1.00 0.00 C ATOM 107 O ASP A 11 -16.960 2.856 9.569 1.00 0.00 O ATOM 108 CB ASP A 11 -17.394 4.424 12.362 1.00 0.00 C ATOM 109 CG ASP A 11 -16.473 5.023 13.406 1.00 0.00 C ATOM 110 OD1 ASP A 11 -15.280 4.652 13.429 1.00 0.00 O ATOM 111 OD2 ASP A 11 -16.944 5.865 14.200 1.00 0.00 O ATOM 0 H ASP A 11 -17.854 6.673 11.458 1.00 0.00 H new ATOM 0 HA ASP A 11 -15.919 4.802 10.847 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -18.418 4.742 12.559 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -17.376 3.337 12.446 1.00 0.00 H new ATOM 116 N GLU A 12 -18.825 4.113 9.503 1.00 0.00 N ATOM 117 CA GLU A 12 -19.505 3.248 8.546 1.00 0.00 C ATOM 118 C GLU A 12 -18.633 3.003 7.318 1.00 0.00 C ATOM 119 O GLU A 12 -18.709 1.947 6.691 1.00 0.00 O ATOM 120 CB GLU A 12 -20.838 3.868 8.122 1.00 0.00 C ATOM 121 CG GLU A 12 -20.688 5.044 7.171 1.00 0.00 C ATOM 122 CD GLU A 12 -21.885 5.974 7.199 1.00 0.00 C ATOM 123 OE1 GLU A 12 -22.876 5.644 7.884 1.00 0.00 O ATOM 124 OE2 GLU A 12 -21.832 7.030 6.536 1.00 0.00 O ATOM 0 H GLU A 12 -19.368 4.925 9.798 1.00 0.00 H new ATOM 0 HA GLU A 12 -19.695 2.291 9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -21.450 3.102 7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -21.375 4.197 9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.791 5.605 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.547 4.670 6.157 1.00 0.00 H new ATOM 131 N GLU A 13 -17.804 3.987 6.982 1.00 0.00 N ATOM 132 CA GLU A 13 -16.918 3.879 5.829 1.00 0.00 C ATOM 133 C GLU A 13 -15.591 3.237 6.222 1.00 0.00 C ATOM 134 O GLU A 13 -14.928 2.606 5.399 1.00 0.00 O ATOM 135 CB GLU A 13 -16.669 5.259 5.218 1.00 0.00 C ATOM 136 CG GLU A 13 -15.987 5.210 3.862 1.00 0.00 C ATOM 137 CD GLU A 13 -16.974 5.124 2.714 1.00 0.00 C ATOM 138 OE1 GLU A 13 -17.754 6.082 2.529 1.00 0.00 O ATOM 139 OE2 GLU A 13 -16.966 4.099 2.001 1.00 0.00 O ATOM 0 H GLU A 13 -17.728 4.867 7.492 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.404 3.244 5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.621 5.780 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.056 5.845 5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.369 6.099 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.319 4.350 3.827 1.00 0.00 H new ATOM 146 N GLN A 14 -15.209 3.405 7.484 1.00 0.00 N ATOM 147 CA GLN A 14 -13.961 2.843 7.985 1.00 0.00 C ATOM 148 C GLN A 14 -14.059 1.327 8.116 1.00 0.00 C ATOM 149 O GLN A 14 -13.115 0.604 7.796 1.00 0.00 O ATOM 150 CB GLN A 14 -13.606 3.462 9.338 1.00 0.00 C ATOM 151 CG GLN A 14 -13.625 4.982 9.337 1.00 0.00 C ATOM 152 CD GLN A 14 -12.659 5.577 8.331 1.00 0.00 C ATOM 153 OE1 GLN A 14 -12.782 5.350 7.127 1.00 0.00 O ATOM 154 NE2 GLN A 14 -11.692 6.343 8.821 1.00 0.00 N ATOM 0 H GLN A 14 -15.746 3.926 8.178 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.174 3.076 7.268 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.307 3.099 10.089 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.615 3.120 9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.634 5.329 9.115 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.375 5.345 10.334 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.629 6.504 9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.012 6.771 8.192 1.00 0.00 H new ATOM 163 N ARG A 15 -15.207 0.852 8.588 1.00 0.00 N ATOM 164 CA ARG A 15 -15.428 -0.578 8.762 1.00 0.00 C ATOM 165 C ARG A 15 -15.107 -1.339 7.478 1.00 0.00 C ATOM 166 O ARG A 15 -14.649 -2.480 7.521 1.00 0.00 O ATOM 167 CB ARG A 15 -16.876 -0.846 9.177 1.00 0.00 C ATOM 168 CG ARG A 15 -17.877 -0.666 8.047 1.00 0.00 C ATOM 169 CD ARG A 15 -19.245 -0.263 8.573 1.00 0.00 C ATOM 170 NE ARG A 15 -20.017 -1.416 9.031 1.00 0.00 N ATOM 171 CZ ARG A 15 -21.333 -1.396 9.206 1.00 0.00 C ATOM 172 NH1 ARG A 15 -22.022 -0.289 8.961 1.00 0.00 N ATOM 173 NH2 ARG A 15 -21.965 -2.485 9.625 1.00 0.00 N ATOM 0 H ARG A 15 -15.998 1.437 8.857 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.761 -0.929 9.549 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.953 -1.863 9.560 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -17.140 -0.176 9.995 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -17.514 0.094 7.355 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -17.962 -1.595 7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.124 0.442 9.395 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.797 0.254 7.788 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.518 -2.284 9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -21.541 0.550 8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -23.033 -0.277 9.096 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.440 -3.339 9.813 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -22.976 -2.468 9.759 1.00 0.00 H new ATOM 187 N GLN A 16 -15.352 -0.698 6.340 1.00 0.00 N ATOM 188 CA GLN A 16 -15.090 -1.314 5.045 1.00 0.00 C ATOM 189 C GLN A 16 -13.595 -1.345 4.749 1.00 0.00 C ATOM 190 O GLN A 16 -13.044 -2.383 4.384 1.00 0.00 O ATOM 191 CB GLN A 16 -15.826 -0.557 3.938 1.00 0.00 C ATOM 192 CG GLN A 16 -17.313 -0.387 4.202 1.00 0.00 C ATOM 193 CD GLN A 16 -18.056 0.185 3.011 1.00 0.00 C ATOM 194 OE1 GLN A 16 -17.554 0.171 1.887 1.00 0.00 O ATOM 195 NE2 GLN A 16 -19.260 0.692 3.251 1.00 0.00 N ATOM 0 H GLN A 16 -15.731 0.247 6.289 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.456 -2.340 5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.372 0.427 3.818 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.691 -1.087 2.995 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -17.744 -1.353 4.464 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -17.453 0.269 5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -19.638 0.683 4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.807 1.090 2.488 1.00 0.00 H new ATOM 204 N LYS A 17 -12.942 -0.198 4.909 1.00 0.00 N ATOM 205 CA LYS A 17 -11.509 -0.093 4.660 1.00 0.00 C ATOM 206 C LYS A 17 -10.741 -1.156 5.439 1.00 0.00 C ATOM 207 O LYS A 17 -9.742 -1.690 4.958 1.00 0.00 O ATOM 208 CB LYS A 17 -11.005 1.300 5.045 1.00 0.00 C ATOM 209 CG LYS A 17 -11.493 2.401 4.120 1.00 0.00 C ATOM 210 CD LYS A 17 -11.561 3.741 4.834 1.00 0.00 C ATOM 211 CE LYS A 17 -11.834 4.878 3.861 1.00 0.00 C ATOM 212 NZ LYS A 17 -10.573 5.480 3.344 1.00 0.00 N ATOM 0 H LYS A 17 -13.383 0.671 5.210 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.338 -0.254 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.324 1.524 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.915 1.295 5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.826 2.479 3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.479 2.143 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.345 3.712 5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.622 3.925 5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.428 4.507 3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.427 5.646 4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.801 6.228 2.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.033 5.887 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.003 4.745 2.878 1.00 0.00 H new ATOM 226 N ARG A 18 -11.216 -1.459 6.643 1.00 0.00 N ATOM 227 CA ARG A 18 -10.574 -2.459 7.487 1.00 0.00 C ATOM 228 C ARG A 18 -10.436 -3.787 6.749 1.00 0.00 C ATOM 229 O ARG A 18 -9.485 -4.536 6.970 1.00 0.00 O ATOM 230 CB ARG A 18 -11.374 -2.659 8.775 1.00 0.00 C ATOM 231 CG ARG A 18 -11.327 -1.465 9.714 1.00 0.00 C ATOM 232 CD ARG A 18 -9.912 -1.195 10.202 1.00 0.00 C ATOM 233 NE ARG A 18 -9.251 -2.413 10.664 1.00 0.00 N ATOM 234 CZ ARG A 18 -9.500 -2.984 11.838 1.00 0.00 C ATOM 235 NH1 ARG A 18 -10.391 -2.450 12.662 1.00 0.00 N ATOM 236 NH2 ARG A 18 -8.858 -4.091 12.188 1.00 0.00 N ATOM 0 H ARG A 18 -12.043 -1.026 7.055 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.577 -2.099 7.739 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.413 -2.868 8.519 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.992 -3.536 9.297 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.711 -0.583 9.202 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.979 -1.647 10.568 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.329 -0.750 9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.941 -0.468 11.014 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.561 -2.849 10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.887 -1.599 12.395 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.581 -2.890 13.563 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.173 -4.505 11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.050 -4.528 13.089 1.00 0.00 H new ATOM 250 N ARG A 19 -11.394 -4.073 5.872 1.00 0.00 N ATOM 251 CA ARG A 19 -11.381 -5.311 5.103 1.00 0.00 C ATOM 252 C ARG A 19 -10.335 -5.251 3.993 1.00 0.00 C ATOM 253 O ARG A 19 -9.583 -6.202 3.784 1.00 0.00 O ATOM 254 CB ARG A 19 -12.762 -5.578 4.503 1.00 0.00 C ATOM 255 CG ARG A 19 -13.832 -5.869 5.543 1.00 0.00 C ATOM 256 CD ARG A 19 -13.670 -7.260 6.136 1.00 0.00 C ATOM 257 NE ARG A 19 -14.327 -7.382 7.434 1.00 0.00 N ATOM 258 CZ ARG A 19 -14.074 -8.359 8.297 1.00 0.00 C ATOM 259 NH1 ARG A 19 -13.182 -9.294 8.001 1.00 0.00 N ATOM 260 NH2 ARG A 19 -14.713 -8.402 9.459 1.00 0.00 N ATOM 0 H ARG A 19 -12.188 -3.464 5.677 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.122 -6.126 5.779 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.066 -4.713 3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.694 -6.423 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -13.780 -5.125 6.338 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.818 -5.779 5.087 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -14.085 -7.997 5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.609 -7.487 6.244 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.018 -6.678 7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.688 -9.264 7.109 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.989 -10.044 8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.400 -7.684 9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.518 -9.153 10.121 1.00 0.00 H new ATOM 274 N ARG A 20 -10.296 -4.127 3.285 1.00 0.00 N ATOM 275 CA ARG A 20 -9.344 -3.943 2.196 1.00 0.00 C ATOM 276 C ARG A 20 -7.919 -4.221 2.666 1.00 0.00 C ATOM 277 O ARG A 20 -7.097 -4.744 1.913 1.00 0.00 O ATOM 278 CB ARG A 20 -9.441 -2.522 1.640 1.00 0.00 C ATOM 279 CG ARG A 20 -10.818 -2.172 1.098 1.00 0.00 C ATOM 280 CD ARG A 20 -10.808 -0.837 0.370 1.00 0.00 C ATOM 281 NE ARG A 20 -10.316 -0.964 -0.999 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.400 0.006 -1.903 1.00 0.00 C ATOM 283 NH1 ARG A 20 -10.953 1.168 -1.584 1.00 0.00 N ATOM 284 NH2 ARG A 20 -9.930 -0.186 -3.129 1.00 0.00 N ATOM 0 H ARG A 20 -10.912 -3.330 3.446 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.592 -4.652 1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.179 -1.815 2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.705 -2.401 0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.152 -2.956 0.418 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.534 -2.135 1.919 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.817 -0.424 0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.182 -0.131 0.916 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.884 -1.846 -1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.315 1.319 -0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.016 1.911 -2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.504 -1.079 -3.378 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.995 0.559 -3.823 1.00 0.00 H new ATOM 298 N ILE A 21 -7.634 -3.867 3.915 1.00 0.00 N ATOM 299 CA ILE A 21 -6.310 -4.078 4.485 1.00 0.00 C ATOM 300 C ILE A 21 -6.091 -5.545 4.838 1.00 0.00 C ATOM 301 O ILE A 21 -5.009 -6.091 4.622 1.00 0.00 O ATOM 302 CB ILE A 21 -6.096 -3.220 5.746 1.00 0.00 C ATOM 303 CG1 ILE A 21 -6.371 -1.747 5.440 1.00 0.00 C ATOM 304 CG2 ILE A 21 -4.682 -3.402 6.277 1.00 0.00 C ATOM 305 CD1 ILE A 21 -6.387 -0.867 6.670 1.00 0.00 C ATOM 0 H ILE A 21 -8.303 -3.433 4.551 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.588 -3.778 3.725 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.796 -3.548 6.514 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.611 -1.380 4.750 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.331 -1.663 4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.546 -2.789 7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.520 -4.450 6.529 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.965 -3.097 5.515 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.588 0.164 6.377 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.166 -1.209 7.352 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.419 -0.921 7.168 1.00 0.00 H new ATOM 317 N GLU A 22 -7.126 -6.178 5.381 1.00 0.00 N ATOM 318 CA GLU A 22 -7.046 -7.583 5.763 1.00 0.00 C ATOM 319 C GLU A 22 -6.698 -8.455 4.561 1.00 0.00 C ATOM 320 O GLU A 22 -5.638 -9.081 4.519 1.00 0.00 O ATOM 321 CB GLU A 22 -8.371 -8.044 6.375 1.00 0.00 C ATOM 322 CG GLU A 22 -8.591 -7.550 7.794 1.00 0.00 C ATOM 323 CD GLU A 22 -7.753 -8.302 8.810 1.00 0.00 C ATOM 324 OE1 GLU A 22 -7.277 -9.409 8.485 1.00 0.00 O ATOM 325 OE2 GLU A 22 -7.574 -7.782 9.932 1.00 0.00 O ATOM 0 H GLU A 22 -8.029 -5.741 5.566 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.255 -7.687 6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.192 -7.697 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.404 -9.133 6.369 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.352 -6.488 7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.645 -7.652 8.051 1.00 0.00 H new ATOM 332 N VAL A 23 -7.598 -8.492 3.583 1.00 0.00 N ATOM 333 CA VAL A 23 -7.386 -9.286 2.379 1.00 0.00 C ATOM 334 C VAL A 23 -6.031 -8.983 1.751 1.00 0.00 C ATOM 335 O VAL A 23 -5.315 -9.890 1.327 1.00 0.00 O ATOM 336 CB VAL A 23 -8.491 -9.030 1.337 1.00 0.00 C ATOM 337 CG1 VAL A 23 -8.238 -9.847 0.079 1.00 0.00 C ATOM 338 CG2 VAL A 23 -9.859 -9.347 1.922 1.00 0.00 C ATOM 0 H VAL A 23 -8.481 -7.981 3.601 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.416 -10.333 2.681 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.473 -7.974 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.029 -9.653 -0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.276 -9.566 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.228 -10.908 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.628 -9.160 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.892 -10.394 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.039 -8.714 2.791 1.00 0.00 H new ATOM 348 N ALA A 24 -5.684 -7.701 1.696 1.00 0.00 N ATOM 349 CA ALA A 24 -4.413 -7.278 1.122 1.00 0.00 C ATOM 350 C ALA A 24 -3.238 -7.855 1.905 1.00 0.00 C ATOM 351 O ALA A 24 -2.289 -8.382 1.322 1.00 0.00 O ATOM 352 CB ALA A 24 -4.330 -5.759 1.086 1.00 0.00 C ATOM 0 H ALA A 24 -6.265 -6.938 2.042 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.358 -7.659 0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.376 -5.457 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.144 -5.364 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.411 -5.366 2.099 1.00 0.00 H new ATOM 358 N LEU A 25 -3.307 -7.751 3.228 1.00 0.00 N ATOM 359 CA LEU A 25 -2.248 -8.262 4.091 1.00 0.00 C ATOM 360 C LEU A 25 -2.025 -9.753 3.855 1.00 0.00 C ATOM 361 O LEU A 25 -0.907 -10.187 3.577 1.00 0.00 O ATOM 362 CB LEU A 25 -2.595 -8.013 5.560 1.00 0.00 C ATOM 363 CG LEU A 25 -2.116 -6.685 6.147 1.00 0.00 C ATOM 364 CD1 LEU A 25 -2.577 -6.542 7.589 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.601 -6.578 6.056 1.00 0.00 C ATOM 0 H LEU A 25 -4.085 -7.318 3.726 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.327 -7.732 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.678 -8.067 5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.173 -8.823 6.155 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.553 -5.873 5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.227 -5.591 7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.666 -6.573 7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.169 -7.359 8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.277 -5.627 6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.144 -7.396 6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.294 -6.634 5.012 1.00 0.00 H new ATOM 377 N ILE A 26 -3.096 -10.531 3.967 1.00 0.00 N ATOM 378 CA ILE A 26 -3.018 -11.972 3.762 1.00 0.00 C ATOM 379 C ILE A 26 -2.418 -12.302 2.400 1.00 0.00 C ATOM 380 O ILE A 26 -1.413 -13.006 2.308 1.00 0.00 O ATOM 381 CB ILE A 26 -4.405 -12.632 3.873 1.00 0.00 C ATOM 382 CG1 ILE A 26 -5.037 -12.317 5.231 1.00 0.00 C ATOM 383 CG2 ILE A 26 -4.293 -14.136 3.671 1.00 0.00 C ATOM 384 CD1 ILE A 26 -6.453 -11.795 5.131 1.00 0.00 C ATOM 0 H ILE A 26 -4.028 -10.188 4.199 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.372 -12.368 4.546 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.048 -12.227 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.033 -13.219 5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.422 -11.580 5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.281 -14.589 3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.880 -14.341 2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.637 -14.558 4.433 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.838 -11.593 6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.461 -10.875 4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.082 -12.540 4.644 1.00 0.00 H new ATOM 396 N GLU A 27 -3.040 -11.787 1.344 1.00 0.00 N ATOM 397 CA GLU A 27 -2.566 -12.027 -0.014 1.00 0.00 C ATOM 398 C GLU A 27 -1.082 -11.691 -0.139 1.00 0.00 C ATOM 399 O GLU A 27 -0.320 -12.425 -0.769 1.00 0.00 O ATOM 400 CB GLU A 27 -3.374 -11.197 -1.014 1.00 0.00 C ATOM 401 CG GLU A 27 -4.779 -11.725 -1.248 1.00 0.00 C ATOM 402 CD GLU A 27 -4.791 -13.025 -2.029 1.00 0.00 C ATOM 403 OE1 GLU A 27 -4.237 -13.051 -3.148 1.00 0.00 O ATOM 404 OE2 GLU A 27 -5.355 -14.017 -1.521 1.00 0.00 O ATOM 0 H GLU A 27 -3.873 -11.201 1.403 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.702 -13.085 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.436 -10.170 -0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.842 -11.170 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.270 -11.878 -0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.359 -10.976 -1.787 1.00 0.00 H new ATOM 411 N TYR A 28 -0.681 -10.578 0.465 1.00 0.00 N ATOM 412 CA TYR A 28 0.710 -10.143 0.419 1.00 0.00 C ATOM 413 C TYR A 28 1.621 -11.156 1.107 1.00 0.00 C ATOM 414 O TYR A 28 2.618 -11.599 0.536 1.00 0.00 O ATOM 415 CB TYR A 28 0.860 -8.773 1.081 1.00 0.00 C ATOM 416 CG TYR A 28 2.151 -8.068 0.730 1.00 0.00 C ATOM 417 CD1 TYR A 28 2.606 -8.025 -0.582 1.00 0.00 C ATOM 418 CD2 TYR A 28 2.916 -7.447 1.709 1.00 0.00 C ATOM 419 CE1 TYR A 28 3.785 -7.382 -0.908 1.00 0.00 C ATOM 420 CE2 TYR A 28 4.095 -6.802 1.392 1.00 0.00 C ATOM 421 CZ TYR A 28 4.526 -6.772 0.082 1.00 0.00 C ATOM 422 OH TYR A 28 5.701 -6.131 -0.237 1.00 0.00 O ATOM 0 H TYR A 28 -1.299 -9.961 0.992 1.00 0.00 H new ATOM 0 HA TYR A 28 1.006 -10.068 -0.627 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.020 -8.143 0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.804 -8.894 2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.029 -8.502 -1.360 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.583 -7.469 2.736 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.124 -7.357 -1.933 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.677 -6.323 2.166 1.00 0.00 H new ATOM 0 HH TYR A 28 5.850 -5.391 0.388 1.00 0.00 H new ATOM 432 N ARG A 29 1.270 -11.518 2.336 1.00 0.00 N ATOM 433 CA ARG A 29 2.054 -12.477 3.104 1.00 0.00 C ATOM 434 C ARG A 29 2.298 -13.749 2.297 1.00 0.00 C ATOM 435 O ARG A 29 3.438 -14.184 2.135 1.00 0.00 O ATOM 436 CB ARG A 29 1.342 -12.820 4.413 1.00 0.00 C ATOM 437 CG ARG A 29 2.290 -13.161 5.551 1.00 0.00 C ATOM 438 CD ARG A 29 1.531 -13.542 6.813 1.00 0.00 C ATOM 439 NE ARG A 29 2.426 -13.749 7.948 1.00 0.00 N ATOM 440 CZ ARG A 29 2.076 -14.403 9.050 1.00 0.00 C ATOM 441 NH1 ARG A 29 0.856 -14.910 9.165 1.00 0.00 N ATOM 442 NH2 ARG A 29 2.947 -14.551 10.040 1.00 0.00 N ATOM 0 H ARG A 29 0.447 -11.161 2.822 1.00 0.00 H new ATOM 0 HA ARG A 29 3.017 -12.021 3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.720 -11.976 4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.674 -13.664 4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.938 -13.985 5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.935 -12.307 5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.814 -12.758 7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.959 -14.452 6.631 1.00 0.00 H new ATOM 0 HE ARG A 29 3.372 -13.371 7.892 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.184 -14.798 8.406 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.590 -15.412 10.012 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.886 -14.162 9.955 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.677 -15.053 10.886 1.00 0.00 H new ATOM 456 N GLU A 30 1.219 -14.341 1.794 1.00 0.00 N ATOM 457 CA GLU A 30 1.316 -15.564 1.006 1.00 0.00 C ATOM 458 C GLU A 30 2.224 -15.361 -0.203 1.00 0.00 C ATOM 459 O GLU A 30 3.154 -16.134 -0.433 1.00 0.00 O ATOM 460 CB GLU A 30 -0.073 -16.012 0.545 1.00 0.00 C ATOM 461 CG GLU A 30 -0.964 -16.492 1.677 1.00 0.00 C ATOM 462 CD GLU A 30 -0.643 -17.909 2.112 1.00 0.00 C ATOM 463 OE1 GLU A 30 0.207 -18.074 3.012 1.00 0.00 O ATOM 464 OE2 GLU A 30 -1.242 -18.852 1.553 1.00 0.00 O ATOM 0 H GLU A 30 0.268 -13.993 1.918 1.00 0.00 H new ATOM 0 HA GLU A 30 1.749 -16.340 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.563 -15.182 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.037 -16.814 -0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.856 -15.821 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.006 -16.440 1.361 1.00 0.00 H new ATOM 471 N THR A 31 1.948 -14.314 -0.975 1.00 0.00 N ATOM 472 CA THR A 31 2.737 -14.009 -2.161 1.00 0.00 C ATOM 473 C THR A 31 4.221 -13.914 -1.825 1.00 0.00 C ATOM 474 O THR A 31 5.074 -14.341 -2.605 1.00 0.00 O ATOM 475 CB THR A 31 2.285 -12.688 -2.813 1.00 0.00 C ATOM 476 OG1 THR A 31 0.893 -12.757 -3.144 1.00 0.00 O ATOM 477 CG2 THR A 31 3.096 -12.398 -4.067 1.00 0.00 C ATOM 0 H THR A 31 1.183 -13.663 -0.799 1.00 0.00 H new ATOM 0 HA THR A 31 2.578 -14.826 -2.864 1.00 0.00 H new ATOM 0 HB THR A 31 2.449 -11.881 -2.099 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.361 -12.759 -2.321 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.759 -11.461 -4.510 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.152 -12.318 -3.807 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.959 -13.208 -4.784 1.00 0.00 H new ATOM 485 N LEU A 32 4.524 -13.353 -0.659 1.00 0.00 N ATOM 486 CA LEU A 32 5.906 -13.202 -0.219 1.00 0.00 C ATOM 487 C LEU A 32 6.533 -14.560 0.082 1.00 0.00 C ATOM 488 O LEU A 32 7.647 -14.850 -0.352 1.00 0.00 O ATOM 489 CB LEU A 32 5.973 -12.311 1.023 1.00 0.00 C ATOM 490 CG LEU A 32 5.723 -10.820 0.793 1.00 0.00 C ATOM 491 CD1 LEU A 32 5.830 -10.053 2.101 1.00 0.00 C ATOM 492 CD2 LEU A 32 6.701 -10.268 -0.234 1.00 0.00 C ATOM 0 H LEU A 32 3.831 -12.995 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 32 6.469 -12.733 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.243 -12.674 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.957 -12.428 1.477 1.00 0.00 H new ATOM 0 HG LEU A 32 4.712 -10.696 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.649 -8.994 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.089 -10.431 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.828 -10.184 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.509 -9.206 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.721 -10.405 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.575 -10.798 -1.178 1.00 0.00 H new ATOM 504 N GLU A 33 5.807 -15.389 0.826 1.00 0.00 N ATOM 505 CA GLU A 33 6.292 -16.717 1.183 1.00 0.00 C ATOM 506 C GLU A 33 6.605 -17.536 -0.066 1.00 0.00 C ATOM 507 O GLU A 33 7.600 -18.259 -0.113 1.00 0.00 O ATOM 508 CB GLU A 33 5.257 -17.449 2.040 1.00 0.00 C ATOM 509 CG GLU A 33 5.262 -17.021 3.498 1.00 0.00 C ATOM 510 CD GLU A 33 4.249 -17.781 4.333 1.00 0.00 C ATOM 511 OE1 GLU A 33 3.950 -18.943 3.988 1.00 0.00 O ATOM 512 OE2 GLU A 33 3.756 -17.214 5.330 1.00 0.00 O ATOM 0 H GLU A 33 4.882 -15.165 1.193 1.00 0.00 H new ATOM 0 HA GLU A 33 7.210 -16.598 1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.265 -17.277 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.444 -18.521 1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.258 -17.174 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.051 -15.953 3.560 1.00 0.00 H new ATOM 519 N GLU A 34 5.748 -17.417 -1.075 1.00 0.00 N ATOM 520 CA GLU A 34 5.932 -18.147 -2.323 1.00 0.00 C ATOM 521 C GLU A 34 6.952 -17.448 -3.217 1.00 0.00 C ATOM 522 O GLU A 34 7.593 -18.079 -4.057 1.00 0.00 O ATOM 523 CB GLU A 34 4.599 -18.284 -3.061 1.00 0.00 C ATOM 524 CG GLU A 34 3.689 -19.354 -2.481 1.00 0.00 C ATOM 525 CD GLU A 34 3.880 -20.704 -3.144 1.00 0.00 C ATOM 526 OE1 GLU A 34 4.096 -20.736 -4.374 1.00 0.00 O ATOM 527 OE2 GLU A 34 3.815 -21.729 -2.433 1.00 0.00 O ATOM 0 H GLU A 34 4.920 -16.822 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 34 6.308 -19.141 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.080 -17.326 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.795 -18.514 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.880 -19.448 -1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.651 -19.042 -2.593 1.00 0.00 H new ATOM 534 N GLN A 35 7.094 -16.139 -3.031 1.00 0.00 N ATOM 535 CA GLN A 35 8.035 -15.354 -3.821 1.00 0.00 C ATOM 536 C GLN A 35 9.474 -15.746 -3.504 1.00 0.00 C ATOM 537 O GLN A 35 10.401 -15.380 -4.225 1.00 0.00 O ATOM 538 CB GLN A 35 7.831 -13.860 -3.559 1.00 0.00 C ATOM 539 CG GLN A 35 6.973 -13.170 -4.607 1.00 0.00 C ATOM 540 CD GLN A 35 6.843 -11.679 -4.364 1.00 0.00 C ATOM 541 OE1 GLN A 35 7.397 -11.144 -3.403 1.00 0.00 O ATOM 542 NE2 GLN A 35 6.109 -10.999 -5.237 1.00 0.00 N ATOM 0 H GLN A 35 6.570 -15.601 -2.341 1.00 0.00 H new ATOM 0 HA GLN A 35 7.846 -15.561 -4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.368 -13.731 -2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.804 -13.371 -3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.406 -13.337 -5.593 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.981 -13.621 -4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.668 -11.483 -6.019 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.986 -9.993 -5.126 1.00 0.00 H new ATOM 551 N GLY A 36 9.653 -16.493 -2.419 1.00 0.00 N ATOM 552 CA GLY A 36 10.982 -16.923 -2.024 1.00 0.00 C ATOM 553 C GLY A 36 11.395 -16.366 -0.676 1.00 0.00 C ATOM 554 O GLY A 36 12.570 -16.407 -0.315 1.00 0.00 O ATOM 0 H GLY A 36 8.901 -16.808 -1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.013 -18.012 -1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.702 -16.608 -2.780 1.00 0.00 H new ATOM 558 N MET A 37 10.426 -15.843 0.068 1.00 0.00 N ATOM 559 CA MET A 37 10.696 -15.275 1.384 1.00 0.00 C ATOM 560 C MET A 37 10.562 -16.336 2.472 1.00 0.00 C ATOM 561 O MET A 37 9.458 -16.785 2.783 1.00 0.00 O ATOM 562 CB MET A 37 9.742 -14.114 1.667 1.00 0.00 C ATOM 563 CG MET A 37 9.729 -13.057 0.574 1.00 0.00 C ATOM 564 SD MET A 37 10.490 -11.508 1.097 1.00 0.00 S ATOM 565 CE MET A 37 9.421 -11.047 2.458 1.00 0.00 C ATOM 0 H MET A 37 9.448 -15.801 -0.217 1.00 0.00 H new ATOM 0 HA MET A 37 11.721 -14.903 1.389 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.733 -14.506 1.794 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.023 -13.646 2.610 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.255 -13.438 -0.301 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.700 -12.867 0.270 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.650 -10.029 2.772 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.380 -11.103 2.138 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.581 -11.729 3.293 1.00 0.00 H new ATOM 575 N LYS A 38 11.692 -16.733 3.047 1.00 0.00 N ATOM 576 CA LYS A 38 11.701 -17.741 4.101 1.00 0.00 C ATOM 577 C LYS A 38 12.285 -17.173 5.391 1.00 0.00 C ATOM 578 O LYS A 38 12.844 -17.907 6.205 1.00 0.00 O ATOM 579 CB LYS A 38 12.507 -18.964 3.659 1.00 0.00 C ATOM 580 CG LYS A 38 12.063 -19.534 2.323 1.00 0.00 C ATOM 581 CD LYS A 38 12.477 -20.989 2.172 1.00 0.00 C ATOM 582 CE LYS A 38 11.470 -21.925 2.823 1.00 0.00 C ATOM 583 NZ LYS A 38 11.778 -22.157 4.261 1.00 0.00 N ATOM 0 H LYS A 38 12.614 -16.372 2.801 1.00 0.00 H new ATOM 0 HA LYS A 38 10.671 -18.042 4.290 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.560 -18.691 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.423 -19.739 4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.980 -19.452 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.495 -18.946 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.572 -21.234 1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.458 -21.138 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.469 -21.504 2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.465 -22.878 2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.709 -23.173 4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.742 -21.826 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.099 -21.634 4.850 1.00 0.00 H new ATOM 597 N ASN A 39 12.149 -15.863 5.571 1.00 0.00 N ATOM 598 CA ASN A 39 12.663 -15.198 6.763 1.00 0.00 C ATOM 599 C ASN A 39 11.603 -14.290 7.378 1.00 0.00 C ATOM 600 O ASN A 39 10.767 -13.711 6.684 1.00 0.00 O ATOM 601 CB ASN A 39 13.912 -14.384 6.419 1.00 0.00 C ATOM 602 CG ASN A 39 15.109 -14.779 7.262 1.00 0.00 C ATOM 603 OD1 ASN A 39 15.379 -15.964 7.461 1.00 0.00 O ATOM 604 ND2 ASN A 39 15.835 -13.785 7.762 1.00 0.00 N ATOM 0 H ASN A 39 11.687 -15.241 4.907 1.00 0.00 H new ATOM 0 HA ASN A 39 12.927 -15.964 7.492 1.00 0.00 H new ATOM 0 HB2 ASN A 39 14.152 -14.521 5.365 1.00 0.00 H new ATOM 0 HB3 ASN A 39 13.703 -13.324 6.564 1.00 0.00 H new ATOM 0 HD21 ASN A 39 16.653 -13.990 8.336 1.00 0.00 H new ATOM 0 HD22 ASN A 39 15.575 -12.817 7.572 1.00 0.00 H new ATOM 611 N PRO A 40 11.637 -14.160 8.713 1.00 0.00 N ATOM 612 CA PRO A 40 10.688 -13.322 9.451 1.00 0.00 C ATOM 613 C PRO A 40 10.912 -11.834 9.203 1.00 0.00 C ATOM 614 O PRO A 40 9.972 -11.097 8.908 1.00 0.00 O ATOM 615 CB PRO A 40 10.973 -13.668 10.915 1.00 0.00 C ATOM 616 CG PRO A 40 12.387 -14.137 10.925 1.00 0.00 C ATOM 617 CD PRO A 40 12.606 -14.820 9.603 1.00 0.00 C ATOM 0 HA PRO A 40 9.658 -13.509 9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.839 -12.800 11.560 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.297 -14.442 11.278 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.075 -13.301 11.051 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.565 -14.823 11.753 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.629 -14.692 9.249 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.424 -15.893 9.670 1.00 0.00 H new ATOM 625 N GLU A 41 12.163 -11.401 9.322 1.00 0.00 N ATOM 626 CA GLU A 41 12.509 -10.000 9.111 1.00 0.00 C ATOM 627 C GLU A 41 12.015 -9.517 7.750 1.00 0.00 C ATOM 628 O GLU A 41 11.407 -8.453 7.642 1.00 0.00 O ATOM 629 CB GLU A 41 14.023 -9.805 9.214 1.00 0.00 C ATOM 630 CG GLU A 41 14.634 -10.429 10.458 1.00 0.00 C ATOM 631 CD GLU A 41 16.012 -9.880 10.769 1.00 0.00 C ATOM 632 OE1 GLU A 41 16.096 -8.775 11.345 1.00 0.00 O ATOM 633 OE2 GLU A 41 17.008 -10.556 10.437 1.00 0.00 O ATOM 0 H GLU A 41 12.953 -11.999 9.563 1.00 0.00 H new ATOM 0 HA GLU A 41 12.020 -9.410 9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.497 -10.235 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.245 -8.738 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.976 -10.253 11.309 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.699 -11.509 10.324 1.00 0.00 H new ATOM 640 N GLU A 42 12.281 -10.308 6.715 1.00 0.00 N ATOM 641 CA GLU A 42 11.865 -9.960 5.362 1.00 0.00 C ATOM 642 C GLU A 42 10.354 -9.754 5.293 1.00 0.00 C ATOM 643 O GLU A 42 9.879 -8.648 5.035 1.00 0.00 O ATOM 644 CB GLU A 42 12.286 -11.053 4.378 1.00 0.00 C ATOM 645 CG GLU A 42 13.011 -10.522 3.152 1.00 0.00 C ATOM 646 CD GLU A 42 13.599 -11.628 2.297 1.00 0.00 C ATOM 647 OE1 GLU A 42 13.868 -12.719 2.843 1.00 0.00 O ATOM 648 OE2 GLU A 42 13.790 -11.404 1.084 1.00 0.00 O ATOM 0 H GLU A 42 12.782 -11.193 6.788 1.00 0.00 H new ATOM 0 HA GLU A 42 12.355 -9.026 5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.933 -11.764 4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.401 -11.602 4.057 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.318 -9.933 2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.809 -9.850 3.469 1.00 0.00 H new ATOM 655 N ILE A 43 9.606 -10.827 5.526 1.00 0.00 N ATOM 656 CA ILE A 43 8.150 -10.764 5.491 1.00 0.00 C ATOM 657 C ILE A 43 7.627 -9.637 6.375 1.00 0.00 C ATOM 658 O ILE A 43 6.892 -8.764 5.914 1.00 0.00 O ATOM 659 CB ILE A 43 7.518 -12.093 5.946 1.00 0.00 C ATOM 660 CG1 ILE A 43 8.019 -13.246 5.074 1.00 0.00 C ATOM 661 CG2 ILE A 43 6.000 -12.003 5.894 1.00 0.00 C ATOM 662 CD1 ILE A 43 7.430 -14.588 5.450 1.00 0.00 C ATOM 0 H ILE A 43 9.984 -11.750 5.741 1.00 0.00 H new ATOM 0 HA ILE A 43 7.867 -10.572 4.456 1.00 0.00 H new ATOM 0 HB ILE A 43 7.816 -12.286 6.977 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.781 -13.033 4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.105 -13.301 5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.568 -12.950 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.660 -11.204 6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.683 -11.790 4.873 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.830 -15.358 4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.690 -14.823 6.482 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.345 -14.551 5.349 1.00 0.00 H new ATOM 674 N GLU A 44 8.013 -9.661 7.647 1.00 0.00 N ATOM 675 CA GLU A 44 7.584 -8.640 8.595 1.00 0.00 C ATOM 676 C GLU A 44 7.862 -7.241 8.051 1.00 0.00 C ATOM 677 O GLU A 44 7.024 -6.345 8.156 1.00 0.00 O ATOM 678 CB GLU A 44 8.294 -8.828 9.937 1.00 0.00 C ATOM 679 CG GLU A 44 7.798 -10.028 10.725 1.00 0.00 C ATOM 680 CD GLU A 44 6.536 -9.729 11.511 1.00 0.00 C ATOM 681 OE1 GLU A 44 6.631 -9.030 12.542 1.00 0.00 O ATOM 682 OE2 GLU A 44 5.454 -10.194 11.096 1.00 0.00 O ATOM 0 H GLU A 44 8.622 -10.376 8.044 1.00 0.00 H new ATOM 0 HA GLU A 44 6.509 -8.746 8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.364 -8.937 9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.160 -7.929 10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.608 -10.854 10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.579 -10.356 11.411 1.00 0.00 H new ATOM 689 N ARG A 45 9.044 -7.063 7.470 1.00 0.00 N ATOM 690 CA ARG A 45 9.433 -5.774 6.911 1.00 0.00 C ATOM 691 C ARG A 45 8.454 -5.332 5.828 1.00 0.00 C ATOM 692 O ARG A 45 7.809 -4.291 5.946 1.00 0.00 O ATOM 693 CB ARG A 45 10.848 -5.851 6.334 1.00 0.00 C ATOM 694 CG ARG A 45 11.280 -4.587 5.609 1.00 0.00 C ATOM 695 CD ARG A 45 12.787 -4.394 5.674 1.00 0.00 C ATOM 696 NE ARG A 45 13.194 -3.089 5.160 1.00 0.00 N ATOM 697 CZ ARG A 45 13.074 -1.959 5.848 1.00 0.00 C ATOM 698 NH1 ARG A 45 12.562 -1.974 7.070 1.00 0.00 N ATOM 699 NH2 ARG A 45 13.468 -0.811 5.312 1.00 0.00 N ATOM 0 H ARG A 45 9.748 -7.795 7.374 1.00 0.00 H new ATOM 0 HA ARG A 45 9.415 -5.038 7.715 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.550 -6.054 7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.904 -6.693 5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.963 -4.638 4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.782 -3.724 6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.122 -4.498 6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.278 -5.179 5.099 1.00 0.00 H new ATOM 0 HE ARG A 45 13.592 -3.043 4.222 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.259 -2.855 7.485 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.471 -1.105 7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.863 -0.796 4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.376 0.057 5.840 1.00 0.00 H new ATOM 713 N LYS A 46 8.348 -6.132 4.772 1.00 0.00 N ATOM 714 CA LYS A 46 7.448 -5.825 3.667 1.00 0.00 C ATOM 715 C LYS A 46 6.018 -5.640 4.165 1.00 0.00 C ATOM 716 O LYS A 46 5.399 -4.601 3.934 1.00 0.00 O ATOM 717 CB LYS A 46 7.494 -6.941 2.620 1.00 0.00 C ATOM 718 CG LYS A 46 8.834 -7.059 1.915 1.00 0.00 C ATOM 719 CD LYS A 46 8.763 -8.020 0.740 1.00 0.00 C ATOM 720 CE LYS A 46 10.079 -8.069 -0.020 1.00 0.00 C ATOM 721 NZ LYS A 46 10.525 -6.713 -0.445 1.00 0.00 N ATOM 0 H LYS A 46 8.875 -6.998 4.658 1.00 0.00 H new ATOM 0 HA LYS A 46 7.779 -4.892 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.262 -7.890 3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.717 -6.763 1.877 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.149 -6.076 1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.589 -7.402 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.512 -9.018 1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.963 -7.713 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.845 -8.523 0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.968 -8.706 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.985 -6.775 -1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 9.702 -6.080 -0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.200 -6.336 0.250 1.00 0.00 H new ATOM 735 N VAL A 47 5.500 -6.653 4.852 1.00 0.00 N ATOM 736 CA VAL A 47 4.144 -6.600 5.386 1.00 0.00 C ATOM 737 C VAL A 47 3.920 -5.326 6.192 1.00 0.00 C ATOM 738 O VAL A 47 2.951 -4.601 5.968 1.00 0.00 O ATOM 739 CB VAL A 47 3.844 -7.819 6.279 1.00 0.00 C ATOM 740 CG1 VAL A 47 2.441 -7.725 6.858 1.00 0.00 C ATOM 741 CG2 VAL A 47 4.020 -9.110 5.494 1.00 0.00 C ATOM 0 H VAL A 47 5.999 -7.520 5.052 1.00 0.00 H new ATOM 0 HA VAL A 47 3.467 -6.610 4.532 1.00 0.00 H new ATOM 0 HB VAL A 47 4.553 -7.824 7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.247 -8.595 7.486 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.355 -6.819 7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.714 -7.694 6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.804 -9.961 6.140 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.336 -9.116 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.046 -9.179 5.133 1.00 0.00 H new ATOM 751 N GLU A 48 4.822 -5.060 7.131 1.00 0.00 N ATOM 752 CA GLU A 48 4.722 -3.872 7.971 1.00 0.00 C ATOM 753 C GLU A 48 4.562 -2.616 7.120 1.00 0.00 C ATOM 754 O GLU A 48 3.620 -1.844 7.306 1.00 0.00 O ATOM 755 CB GLU A 48 5.961 -3.744 8.861 1.00 0.00 C ATOM 756 CG GLU A 48 5.888 -2.585 9.841 1.00 0.00 C ATOM 757 CD GLU A 48 7.075 -2.544 10.785 1.00 0.00 C ATOM 758 OE1 GLU A 48 8.132 -2.012 10.385 1.00 0.00 O ATOM 759 OE2 GLU A 48 6.947 -3.044 11.922 1.00 0.00 O ATOM 0 H GLU A 48 5.630 -5.650 7.329 1.00 0.00 H new ATOM 0 HA GLU A 48 3.839 -3.977 8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.096 -4.672 9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.841 -3.620 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.837 -1.648 9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.969 -2.662 10.422 1.00 0.00 H new ATOM 766 N ILE A 49 5.487 -2.418 6.188 1.00 0.00 N ATOM 767 CA ILE A 49 5.448 -1.256 5.308 1.00 0.00 C ATOM 768 C ILE A 49 4.114 -1.166 4.575 1.00 0.00 C ATOM 769 O ILE A 49 3.558 -0.082 4.408 1.00 0.00 O ATOM 770 CB ILE A 49 6.588 -1.295 4.273 1.00 0.00 C ATOM 771 CG1 ILE A 49 7.945 -1.343 4.979 1.00 0.00 C ATOM 772 CG2 ILE A 49 6.508 -0.088 3.351 1.00 0.00 C ATOM 773 CD1 ILE A 49 9.065 -1.854 4.100 1.00 0.00 C ATOM 0 H ILE A 49 6.273 -3.047 6.022 1.00 0.00 H new ATOM 0 HA ILE A 49 5.572 -0.377 5.940 1.00 0.00 H new ATOM 0 HB ILE A 49 6.480 -2.196 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.198 -0.343 5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.865 -1.981 5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.320 -0.130 2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.552 -0.093 2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.594 0.826 3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.997 -1.861 4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.834 -2.866 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.172 -1.203 3.232 1.00 0.00 H new ATOM 785 N ASN A 50 3.606 -2.314 4.140 1.00 0.00 N ATOM 786 CA ASN A 50 2.335 -2.366 3.425 1.00 0.00 C ATOM 787 C ASN A 50 1.183 -1.945 4.333 1.00 0.00 C ATOM 788 O ASN A 50 0.414 -1.043 3.999 1.00 0.00 O ATOM 789 CB ASN A 50 2.086 -3.776 2.887 1.00 0.00 C ATOM 790 CG ASN A 50 1.530 -3.766 1.476 1.00 0.00 C ATOM 791 OD1 ASN A 50 1.787 -2.844 0.702 1.00 0.00 O ATOM 792 ND2 ASN A 50 0.764 -4.796 1.135 1.00 0.00 N ATOM 0 H ASN A 50 4.054 -3.221 4.270 1.00 0.00 H new ATOM 0 HA ASN A 50 2.388 -1.670 2.588 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.020 -4.338 2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.390 -4.296 3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.362 -4.845 0.199 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.578 -5.538 1.809 1.00 0.00 H new ATOM 799 N ARG A 51 1.071 -2.603 5.482 1.00 0.00 N ATOM 800 CA ARG A 51 0.013 -2.298 6.437 1.00 0.00 C ATOM 801 C ARG A 51 -0.020 -0.805 6.752 1.00 0.00 C ATOM 802 O ARG A 51 -1.086 -0.189 6.780 1.00 0.00 O ATOM 803 CB ARG A 51 0.213 -3.098 7.725 1.00 0.00 C ATOM 804 CG ARG A 51 -0.912 -2.922 8.732 1.00 0.00 C ATOM 805 CD ARG A 51 -0.552 -3.528 10.080 1.00 0.00 C ATOM 806 NE ARG A 51 -0.200 -4.941 9.969 1.00 0.00 N ATOM 807 CZ ARG A 51 0.401 -5.627 10.935 1.00 0.00 C ATOM 808 NH1 ARG A 51 0.714 -5.033 12.078 1.00 0.00 N ATOM 809 NH2 ARG A 51 0.689 -6.910 10.758 1.00 0.00 N ATOM 0 H ARG A 51 1.700 -3.351 5.774 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.940 -2.579 5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.304 -4.155 7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.153 -2.797 8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.129 -1.861 8.855 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.819 -3.391 8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.285 -2.979 10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.394 -3.417 10.764 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.428 -5.428 9.102 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.493 -4.047 12.217 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.175 -5.562 12.818 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.449 -7.370 9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.150 -7.436 11.500 1.00 0.00 H new ATOM 823 N LYS A 52 1.153 -0.230 6.991 1.00 0.00 N ATOM 824 CA LYS A 52 1.260 1.190 7.304 1.00 0.00 C ATOM 825 C LYS A 52 0.831 2.044 6.115 1.00 0.00 C ATOM 826 O LYS A 52 0.080 3.007 6.269 1.00 0.00 O ATOM 827 CB LYS A 52 2.696 1.539 7.703 1.00 0.00 C ATOM 828 CG LYS A 52 3.129 0.918 9.020 1.00 0.00 C ATOM 829 CD LYS A 52 4.534 1.350 9.405 1.00 0.00 C ATOM 830 CE LYS A 52 4.608 2.848 9.657 1.00 0.00 C ATOM 831 NZ LYS A 52 5.906 3.245 10.269 1.00 0.00 N ATOM 0 H LYS A 52 2.044 -0.726 6.974 1.00 0.00 H new ATOM 0 HA LYS A 52 0.594 1.402 8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.373 1.209 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.792 2.623 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.431 1.206 9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.090 -0.168 8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.848 0.814 10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.229 1.079 8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.472 3.381 8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.791 3.146 10.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.916 4.273 10.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.025 2.756 11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.685 2.984 9.631 1.00 0.00 H new ATOM 845 N ARG A 53 1.310 1.682 4.929 1.00 0.00 N ATOM 846 CA ARG A 53 0.975 2.415 3.714 1.00 0.00 C ATOM 847 C ARG A 53 -0.534 2.438 3.492 1.00 0.00 C ATOM 848 O ARG A 53 -1.135 3.503 3.343 1.00 0.00 O ATOM 849 CB ARG A 53 1.670 1.785 2.505 1.00 0.00 C ATOM 850 CG ARG A 53 2.071 2.793 1.440 1.00 0.00 C ATOM 851 CD ARG A 53 2.978 2.165 0.393 1.00 0.00 C ATOM 852 NE ARG A 53 2.300 1.109 -0.355 1.00 0.00 N ATOM 853 CZ ARG A 53 2.935 0.224 -1.116 1.00 0.00 C ATOM 854 NH1 ARG A 53 4.255 0.267 -1.228 1.00 0.00 N ATOM 855 NH2 ARG A 53 2.248 -0.707 -1.766 1.00 0.00 N ATOM 0 H ARG A 53 1.931 0.886 4.784 1.00 0.00 H new ATOM 0 HA ARG A 53 1.323 3.441 3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.559 1.254 2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.006 1.044 2.060 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.177 3.190 0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.582 3.635 1.908 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.322 2.935 -0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.863 1.754 0.879 1.00 0.00 H new ATOM 0 HE ARG A 53 1.284 1.048 -0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.786 0.981 -0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.740 -0.414 -1.813 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.232 -0.743 -1.682 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.736 -1.386 -2.350 1.00 0.00 H new ATOM 869 N LEU A 54 -1.142 1.257 3.469 1.00 0.00 N ATOM 870 CA LEU A 54 -2.581 1.140 3.265 1.00 0.00 C ATOM 871 C LEU A 54 -3.347 1.925 4.325 1.00 0.00 C ATOM 872 O LEU A 54 -4.230 2.720 4.005 1.00 0.00 O ATOM 873 CB LEU A 54 -3.004 -0.330 3.297 1.00 0.00 C ATOM 874 CG LEU A 54 -2.694 -1.144 2.040 1.00 0.00 C ATOM 875 CD1 LEU A 54 -2.722 -2.633 2.350 1.00 0.00 C ATOM 876 CD2 LEU A 54 -3.681 -0.810 0.931 1.00 0.00 C ATOM 0 H LEU A 54 -0.660 0.366 3.589 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.819 1.558 2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.516 -0.809 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.078 -0.375 3.479 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.693 -0.883 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.499 -3.197 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.976 -2.860 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.711 -2.910 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.445 -1.399 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.693 -1.043 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.613 0.251 0.691 1.00 0.00 H new ATOM 888 N GLU A 55 -3.001 1.696 5.588 1.00 0.00 N ATOM 889 CA GLU A 55 -3.656 2.383 6.696 1.00 0.00 C ATOM 890 C GLU A 55 -3.648 3.894 6.479 1.00 0.00 C ATOM 891 O GLU A 55 -4.667 4.562 6.656 1.00 0.00 O ATOM 892 CB GLU A 55 -2.963 2.043 8.017 1.00 0.00 C ATOM 893 CG GLU A 55 -3.534 0.813 8.704 1.00 0.00 C ATOM 894 CD GLU A 55 -3.123 0.715 10.160 1.00 0.00 C ATOM 895 OE1 GLU A 55 -1.905 0.732 10.436 1.00 0.00 O ATOM 896 OE2 GLU A 55 -4.020 0.622 11.024 1.00 0.00 O ATOM 0 H GLU A 55 -2.272 1.041 5.870 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.691 2.044 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.901 1.885 7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.044 2.896 8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.622 0.837 8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.202 -0.081 8.176 1.00 0.00 H new ATOM 903 N VAL A 56 -2.491 4.425 6.096 1.00 0.00 N ATOM 904 CA VAL A 56 -2.350 5.856 5.855 1.00 0.00 C ATOM 905 C VAL A 56 -3.042 6.266 4.560 1.00 0.00 C ATOM 906 O VAL A 56 -3.438 7.420 4.394 1.00 0.00 O ATOM 907 CB VAL A 56 -0.868 6.270 5.786 1.00 0.00 C ATOM 908 CG1 VAL A 56 -0.742 7.773 5.590 1.00 0.00 C ATOM 909 CG2 VAL A 56 -0.132 5.824 7.040 1.00 0.00 C ATOM 0 H VAL A 56 -1.638 3.886 5.946 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.823 6.367 6.694 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.410 5.777 4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.312 8.047 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.233 8.061 4.660 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.215 8.290 6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.914 6.125 6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.589 6.288 7.914 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.193 4.740 7.131 1.00 0.00 H new ATOM 919 N ASP A 57 -3.184 5.314 3.645 1.00 0.00 N ATOM 920 CA ASP A 57 -3.830 5.575 2.364 1.00 0.00 C ATOM 921 C ASP A 57 -5.339 5.721 2.536 1.00 0.00 C ATOM 922 O ASP A 57 -5.984 6.485 1.817 1.00 0.00 O ATOM 923 CB ASP A 57 -3.524 4.449 1.375 1.00 0.00 C ATOM 924 CG ASP A 57 -3.488 4.933 -0.061 1.00 0.00 C ATOM 925 OD1 ASP A 57 -2.629 5.781 -0.380 1.00 0.00 O ATOM 926 OD2 ASP A 57 -4.318 4.463 -0.866 1.00 0.00 O ATOM 0 H ASP A 57 -2.860 4.354 3.766 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.435 6.511 1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.564 3.999 1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.278 3.668 1.473 1.00 0.00 H new ATOM 931 N TYR A 58 -5.894 4.984 3.491 1.00 0.00 N ATOM 932 CA TYR A 58 -7.328 5.029 3.755 1.00 0.00 C ATOM 933 C TYR A 58 -7.644 6.010 4.879 1.00 0.00 C ATOM 934 O TYR A 58 -8.679 5.906 5.537 1.00 0.00 O ATOM 935 CB TYR A 58 -7.845 3.636 4.117 1.00 0.00 C ATOM 936 CG TYR A 58 -7.628 2.608 3.030 1.00 0.00 C ATOM 937 CD1 TYR A 58 -8.238 2.742 1.789 1.00 0.00 C ATOM 938 CD2 TYR A 58 -6.815 1.502 3.244 1.00 0.00 C ATOM 939 CE1 TYR A 58 -8.044 1.805 0.793 1.00 0.00 C ATOM 940 CE2 TYR A 58 -6.614 0.560 2.253 1.00 0.00 C ATOM 941 CZ TYR A 58 -7.231 0.716 1.030 1.00 0.00 C ATOM 942 OH TYR A 58 -7.034 -0.220 0.040 1.00 0.00 O ATOM 0 H TYR A 58 -5.373 4.348 4.095 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.828 5.370 2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.350 3.299 5.028 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.910 3.699 4.338 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.875 3.593 1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.332 1.376 4.202 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.526 1.924 -0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.977 -0.293 2.435 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.114 -0.157 -0.291 1.00 0.00 H new ATOM 952 N GLY A 59 -6.743 6.964 5.095 1.00 0.00 N ATOM 953 CA GLY A 59 -6.943 7.951 6.139 1.00 0.00 C ATOM 954 C GLY A 59 -7.251 7.319 7.483 1.00 0.00 C ATOM 955 O GLY A 59 -7.926 7.920 8.320 1.00 0.00 O ATOM 0 H GLY A 59 -5.878 7.070 4.565 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.049 8.568 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.761 8.614 5.856 1.00 0.00 H new ATOM 959 N LEU A 60 -6.756 6.104 7.690 1.00 0.00 N ATOM 960 CA LEU A 60 -6.983 5.389 8.941 1.00 0.00 C ATOM 961 C LEU A 60 -5.880 5.693 9.950 1.00 0.00 C ATOM 962 O LEU A 60 -6.088 5.600 11.159 1.00 0.00 O ATOM 963 CB LEU A 60 -7.053 3.882 8.684 1.00 0.00 C ATOM 964 CG LEU A 60 -8.174 3.411 7.757 1.00 0.00 C ATOM 965 CD1 LEU A 60 -7.997 1.942 7.409 1.00 0.00 C ATOM 966 CD2 LEU A 60 -9.533 3.649 8.399 1.00 0.00 C ATOM 0 H LEU A 60 -6.195 5.593 7.008 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.933 5.726 9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.101 3.561 8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.164 3.375 9.642 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.124 3.990 6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.804 1.625 6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.040 1.800 6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.020 1.347 8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.319 3.308 7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.594 3.097 9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.661 4.713 8.596 1.00 0.00 H new ATOM 978 N SER A 61 -4.706 6.058 9.443 1.00 0.00 N ATOM 979 CA SER A 61 -3.569 6.375 10.300 1.00 0.00 C ATOM 980 C SER A 61 -2.963 7.723 9.921 1.00 0.00 C ATOM 981 O SER A 61 -2.154 8.281 10.662 1.00 0.00 O ATOM 982 CB SER A 61 -2.507 5.279 10.200 1.00 0.00 C ATOM 983 OG SER A 61 -1.699 5.244 11.364 1.00 0.00 O ATOM 0 H SER A 61 -4.518 6.141 8.444 1.00 0.00 H new ATOM 0 HA SER A 61 -3.925 6.433 11.329 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.990 4.312 10.060 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.882 5.453 9.324 1.00 0.00 H new ATOM 0 HG SER A 61 -1.029 4.534 11.276 1.00 0.00 H new TER 989 SER A 61