USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 797 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 MET CE :methyl 159:sc= -0.325 (180deg=0) USER MOD Set 1.2: A 82 MET CE :methyl 180:sc= -4.8 (180deg=-3.96) USER MOD Set 1.3: A 86 MET CE :methyl 162:sc= -8.65! (180deg=-6.87!) USER MOD Set 2.1: A 70 SER OG : rot 91:sc= 1.1 USER MOD Set 2.2: A 72 THR OG1 : rot 180:sc= -0.444 USER MOD Set 3.1: A 46 MET CE :methyl -159:sc= -2.74! (180deg=-3.89) USER MOD Set 3.2: A 51 GLN : amide:sc= -1.29 K(o=-4,f=-5.8!) USER MOD Set 4.1: A 38 SER OG : rot 180:sc= 0.448 USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= 0.0173 USER MOD Set 4.3: A 55 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.942) USER MOD Set 5.1: A 4 THR OG1 : rot -95:sc= -1.66 USER MOD Set 5.2: A 6 GLN : amide:sc= -1.84 K(o=-4.6,f=-17!) USER MOD Set 5.3: A 7 GLN : amide:sc= -1.13 K(o=-4.6,f=-16!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0539 USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= -0.598 (180deg=-0.646) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 173:sc= -8.76! (180deg=-9.06!) USER MOD Single : A 52 ASN : amide:sc= -0.28 K(o=-0.28,f=0.53) USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00151 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -139:sc= -0.303 (180deg=-2.48!) USER MOD Single : A 85 GLN : amide:sc= -2.7 X(o=-2.7,f=-2.8) USER MOD Single : A 87 LYS NZ :NH3+ -122:sc= -1.66! (180deg=-3.98!) USER MOD Single : B 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 117 SER OG : rot 180:sc= 0.024 USER MOD Single : B 121 MET CE :methyl 161:sc= -6.56! (180deg=-8.04!) USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.38) USER MOD Single : B 131 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.456) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -25.149 2.037 -9.576 1.00 0.00 N ATOM 2 CA ALA A 1 -24.058 1.044 -9.755 1.00 0.00 C ATOM 3 C ALA A 1 -22.849 1.399 -8.897 1.00 0.00 C ATOM 4 O ALA A 1 -22.433 2.557 -8.840 1.00 0.00 O ATOM 5 CB ALA A 1 -23.657 0.960 -11.220 1.00 0.00 C ATOM 0 H1 ALA A 1 -25.960 1.773 -10.171 1.00 0.00 H new ATOM 0 H2 ALA A 1 -25.442 2.054 -8.578 1.00 0.00 H new ATOM 0 H3 ALA A 1 -24.809 2.980 -9.853 1.00 0.00 H new ATOM 0 HA ALA A 1 -24.429 0.071 -9.433 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -22.857 0.229 -11.337 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -24.517 0.655 -11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -23.309 1.936 -11.559 1.00 0.00 H new ATOM 13 N SER A 2 -22.287 0.395 -8.231 1.00 0.00 N ATOM 14 CA SER A 2 -21.124 0.602 -7.375 1.00 0.00 C ATOM 15 C SER A 2 -20.474 -0.728 -7.007 1.00 0.00 C ATOM 16 O SER A 2 -20.989 -1.796 -7.340 1.00 0.00 O ATOM 17 CB SER A 2 -21.526 1.354 -6.106 1.00 0.00 C ATOM 18 OG SER A 2 -20.507 2.252 -5.700 1.00 0.00 O ATOM 0 H SER A 2 -22.618 -0.569 -8.268 1.00 0.00 H new ATOM 0 HA SER A 2 -20.399 1.199 -7.929 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.450 1.904 -6.283 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.727 0.642 -5.306 1.00 0.00 H new ATOM 0 HG SER A 2 -20.789 2.722 -4.888 1.00 0.00 H new ATOM 24 N MET A 3 -19.340 -0.655 -6.317 1.00 0.00 N ATOM 25 CA MET A 3 -18.619 -1.853 -5.903 1.00 0.00 C ATOM 26 C MET A 3 -17.798 -1.583 -4.646 1.00 0.00 C ATOM 27 O MET A 3 -17.848 -2.349 -3.683 1.00 0.00 O ATOM 28 CB MET A 3 -17.705 -2.339 -7.028 1.00 0.00 C ATOM 29 CG MET A 3 -16.863 -1.235 -7.647 1.00 0.00 C ATOM 30 SD MET A 3 -16.321 -1.630 -9.321 1.00 0.00 S ATOM 31 CE MET A 3 -16.054 0.011 -9.987 1.00 0.00 C ATOM 0 H MET A 3 -18.901 0.221 -6.033 1.00 0.00 H new ATOM 0 HA MET A 3 -19.351 -2.629 -5.680 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.044 -3.114 -6.639 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.314 -2.800 -7.806 1.00 0.00 H new ATOM 0 HG2 MET A 3 -17.440 -0.310 -7.665 1.00 0.00 H new ATOM 0 HG3 MET A 3 -15.990 -1.054 -7.020 1.00 0.00 H new ATOM 0 HE1 MET A 3 -15.715 -0.066 -11.020 1.00 0.00 H new ATOM 0 HE2 MET A 3 -16.987 0.574 -9.953 1.00 0.00 H new ATOM 0 HE3 MET A 3 -15.298 0.526 -9.394 1.00 0.00 H new ATOM 41 N THR A 4 -17.044 -0.489 -4.663 1.00 0.00 N ATOM 42 CA THR A 4 -16.213 -0.115 -3.525 1.00 0.00 C ATOM 43 C THR A 4 -15.510 1.214 -3.779 1.00 0.00 C ATOM 44 O THR A 4 -14.741 1.350 -4.730 1.00 0.00 O ATOM 45 CB THR A 4 -15.179 -1.206 -3.240 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.304 -0.808 -2.199 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.331 -1.557 -4.442 1.00 0.00 C ATOM 0 H THR A 4 -16.991 0.154 -5.453 1.00 0.00 H new ATOM 0 HA THR A 4 -16.861 -0.003 -2.656 1.00 0.00 H new ATOM 0 HB THR A 4 -15.758 -2.085 -2.956 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.498 -0.406 -2.585 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.619 -2.337 -4.170 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.972 -1.916 -5.247 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.790 -0.672 -4.776 1.00 0.00 H new ATOM 55 N ASP A 5 -15.782 2.193 -2.921 1.00 0.00 N ATOM 56 CA ASP A 5 -15.178 3.515 -3.050 1.00 0.00 C ATOM 57 C ASP A 5 -14.184 3.786 -1.922 1.00 0.00 C ATOM 58 O ASP A 5 -13.596 4.865 -1.849 1.00 0.00 O ATOM 59 CB ASP A 5 -16.261 4.593 -3.055 1.00 0.00 C ATOM 60 CG ASP A 5 -17.275 4.400 -1.944 1.00 0.00 C ATOM 61 OD1 ASP A 5 -16.855 4.182 -0.788 1.00 0.00 O ATOM 62 OD2 ASP A 5 -18.489 4.466 -2.229 1.00 0.00 O ATOM 0 H ASP A 5 -16.417 2.096 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.636 3.542 -3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.795 5.573 -2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.774 4.584 -4.017 1.00 0.00 H new ATOM 67 N GLN A 6 -13.999 2.804 -1.041 1.00 0.00 N ATOM 68 CA GLN A 6 -13.077 2.943 0.082 1.00 0.00 C ATOM 69 C GLN A 6 -11.690 3.371 -0.394 1.00 0.00 C ATOM 70 O GLN A 6 -10.964 4.060 0.322 1.00 0.00 O ATOM 71 CB GLN A 6 -12.980 1.625 0.851 1.00 0.00 C ATOM 72 CG GLN A 6 -12.691 0.424 -0.033 1.00 0.00 C ATOM 73 CD GLN A 6 -13.370 -0.839 0.460 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.710 -1.789 0.880 1.00 0.00 O ATOM 75 NE2 GLN A 6 -14.697 -0.854 0.411 1.00 0.00 N ATOM 0 H GLN A 6 -14.476 1.904 -1.084 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.466 3.717 0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.195 1.710 1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.915 1.456 1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.022 0.637 -1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.614 0.260 -0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.203 -0.043 0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.210 -1.676 0.729 1.00 0.00 H new ATOM 84 N GLN A 7 -11.332 2.962 -1.607 1.00 0.00 N ATOM 85 CA GLN A 7 -10.034 3.309 -2.179 1.00 0.00 C ATOM 86 C GLN A 7 -9.993 4.784 -2.570 1.00 0.00 C ATOM 87 O GLN A 7 -8.923 5.388 -2.649 1.00 0.00 O ATOM 88 CB GLN A 7 -9.731 2.434 -3.402 1.00 0.00 C ATOM 89 CG GLN A 7 -10.287 1.022 -3.299 1.00 0.00 C ATOM 90 CD GLN A 7 -11.602 0.858 -4.033 1.00 0.00 C ATOM 91 OE1 GLN A 7 -12.675 0.915 -3.431 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.527 0.652 -5.343 1.00 0.00 N ATOM 0 H GLN A 7 -11.921 2.391 -2.213 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.272 3.128 -1.421 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.143 2.913 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.651 2.380 -3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.559 0.319 -3.704 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.427 0.767 -2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.617 0.612 -5.802 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.380 0.534 -5.890 1.00 0.00 H new ATOM 101 N ALA A 8 -11.166 5.361 -2.805 1.00 0.00 N ATOM 102 CA ALA A 8 -11.268 6.764 -3.180 1.00 0.00 C ATOM 103 C ALA A 8 -11.115 7.659 -1.959 1.00 0.00 C ATOM 104 O ALA A 8 -10.299 8.581 -1.951 1.00 0.00 O ATOM 105 CB ALA A 8 -12.595 7.032 -3.874 1.00 0.00 C ATOM 0 H ALA A 8 -12.061 4.876 -2.742 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.460 6.993 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.656 8.085 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.666 6.419 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.415 6.785 -3.200 1.00 0.00 H new ATOM 111 N GLU A 9 -11.896 7.376 -0.920 1.00 0.00 N ATOM 112 CA GLU A 9 -11.829 8.153 0.310 1.00 0.00 C ATOM 113 C GLU A 9 -10.411 8.128 0.863 1.00 0.00 C ATOM 114 O GLU A 9 -9.885 9.149 1.296 1.00 0.00 O ATOM 115 CB GLU A 9 -12.807 7.606 1.350 1.00 0.00 C ATOM 116 CG GLU A 9 -14.239 7.513 0.849 1.00 0.00 C ATOM 117 CD GLU A 9 -15.025 6.410 1.531 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.619 6.677 2.597 1.00 0.00 O ATOM 119 OE2 GLU A 9 -15.045 5.280 1.000 1.00 0.00 O ATOM 0 H GLU A 9 -12.579 6.618 -0.907 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.108 9.182 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.475 6.616 1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.781 8.245 2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.740 8.467 1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.233 7.338 -0.227 1.00 0.00 H new ATOM 126 N ALA A 10 -9.794 6.948 0.824 1.00 0.00 N ATOM 127 CA ALA A 10 -8.429 6.764 1.298 1.00 0.00 C ATOM 128 C ALA A 10 -7.523 7.901 0.838 1.00 0.00 C ATOM 129 O ALA A 10 -6.939 8.614 1.654 1.00 0.00 O ATOM 130 CB ALA A 10 -7.897 5.432 0.799 1.00 0.00 C ATOM 0 H ALA A 10 -10.227 6.097 0.464 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.437 6.770 2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.875 5.293 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.525 4.625 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.908 5.421 -0.291 1.00 0.00 H new ATOM 136 N ARG A 11 -7.415 8.067 -0.478 1.00 0.00 N ATOM 137 CA ARG A 11 -6.585 9.120 -1.053 1.00 0.00 C ATOM 138 C ARG A 11 -6.959 10.482 -0.472 1.00 0.00 C ATOM 139 O ARG A 11 -6.134 11.394 -0.417 1.00 0.00 O ATOM 140 CB ARG A 11 -6.735 9.142 -2.576 1.00 0.00 C ATOM 141 CG ARG A 11 -5.418 9.328 -3.314 1.00 0.00 C ATOM 142 CD ARG A 11 -5.183 8.230 -4.340 1.00 0.00 C ATOM 143 NE ARG A 11 -5.182 8.749 -5.707 1.00 0.00 N ATOM 144 CZ ARG A 11 -4.765 8.055 -6.762 1.00 0.00 C ATOM 145 NH1 ARG A 11 -4.314 6.815 -6.615 1.00 0.00 N ATOM 146 NH2 ARG A 11 -4.797 8.602 -7.969 1.00 0.00 N ATOM 0 H ARG A 11 -7.893 7.485 -1.166 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.545 8.910 -0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.196 8.209 -2.901 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.415 9.947 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.415 10.297 -3.812 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.598 9.336 -2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.230 7.742 -4.137 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.958 7.470 -4.241 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.521 9.699 -5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.286 6.389 -5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.996 6.288 -7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.141 9.555 -8.088 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.477 8.070 -8.779 1.00 0.00 H new ATOM 160 N ALA A 12 -8.208 10.607 -0.036 1.00 0.00 N ATOM 161 CA ALA A 12 -8.699 11.851 0.545 1.00 0.00 C ATOM 162 C ALA A 12 -8.585 11.833 2.068 1.00 0.00 C ATOM 163 O ALA A 12 -8.616 12.881 2.713 1.00 0.00 O ATOM 164 CB ALA A 12 -10.142 12.089 0.128 1.00 0.00 C ATOM 0 H ALA A 12 -8.901 9.859 -0.074 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.080 12.667 0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.499 13.021 0.567 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.201 12.154 -0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.762 11.263 0.476 1.00 0.00 H new ATOM 170 N PHE A 13 -8.461 10.638 2.638 1.00 0.00 N ATOM 171 CA PHE A 13 -8.352 10.487 4.082 1.00 0.00 C ATOM 172 C PHE A 13 -6.931 10.779 4.557 1.00 0.00 C ATOM 173 O PHE A 13 -6.730 11.389 5.607 1.00 0.00 O ATOM 174 CB PHE A 13 -8.765 9.072 4.494 1.00 0.00 C ATOM 175 CG PHE A 13 -10.021 9.030 5.319 1.00 0.00 C ATOM 176 CD1 PHE A 13 -10.116 9.755 6.497 1.00 0.00 C ATOM 177 CD2 PHE A 13 -11.103 8.266 4.918 1.00 0.00 C ATOM 178 CE1 PHE A 13 -11.271 9.718 7.258 1.00 0.00 C ATOM 179 CE2 PHE A 13 -12.260 8.225 5.674 1.00 0.00 C ATOM 180 CZ PHE A 13 -12.343 8.952 6.846 1.00 0.00 C ATOM 0 H PHE A 13 -8.434 9.760 2.119 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.022 11.207 4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.908 8.468 3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.953 8.615 5.060 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.280 10.355 6.824 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.043 7.695 4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -11.334 10.288 8.173 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -13.098 7.626 5.349 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.245 8.921 7.439 1.00 0.00 H new ATOM 190 N LEU A 14 -5.949 10.343 3.775 1.00 0.00 N ATOM 191 CA LEU A 14 -4.548 10.560 4.116 1.00 0.00 C ATOM 192 C LEU A 14 -4.050 11.884 3.548 1.00 0.00 C ATOM 193 O LEU A 14 -4.606 12.405 2.580 1.00 0.00 O ATOM 194 CB LEU A 14 -3.688 9.409 3.588 1.00 0.00 C ATOM 195 CG LEU A 14 -4.203 8.008 3.932 1.00 0.00 C ATOM 196 CD1 LEU A 14 -4.377 7.175 2.670 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.259 7.315 4.905 1.00 0.00 C ATOM 0 H LEU A 14 -6.097 9.838 2.901 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.465 10.597 5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.615 9.497 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.679 9.517 3.985 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.177 8.110 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.743 6.184 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.094 7.662 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.418 7.083 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.641 6.321 5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.271 7.227 4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.188 7.900 5.822 1.00 0.00 H new ATOM 209 N SER A 15 -2.999 12.424 4.155 1.00 0.00 N ATOM 210 CA SER A 15 -2.423 13.688 3.708 1.00 0.00 C ATOM 211 C SER A 15 -1.613 13.491 2.434 1.00 0.00 C ATOM 212 O SER A 15 -1.112 12.397 2.170 1.00 0.00 O ATOM 213 CB SER A 15 -1.530 14.283 4.801 1.00 0.00 C ATOM 214 OG SER A 15 -1.828 13.717 6.066 1.00 0.00 O ATOM 0 H SER A 15 -2.528 12.007 4.958 1.00 0.00 H new ATOM 0 HA SER A 15 -3.241 14.378 3.500 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.483 14.105 4.557 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.669 15.363 4.840 1.00 0.00 H new ATOM 0 HG SER A 15 -1.244 14.112 6.747 1.00 0.00 H new ATOM 220 N GLU A 16 -1.474 14.557 1.649 1.00 0.00 N ATOM 221 CA GLU A 16 -0.706 14.493 0.410 1.00 0.00 C ATOM 222 C GLU A 16 0.657 13.858 0.665 1.00 0.00 C ATOM 223 O GLU A 16 1.242 13.232 -0.218 1.00 0.00 O ATOM 224 CB GLU A 16 -0.533 15.894 -0.185 1.00 0.00 C ATOM 225 CG GLU A 16 -1.403 16.148 -1.405 1.00 0.00 C ATOM 226 CD GLU A 16 -2.065 17.511 -1.377 1.00 0.00 C ATOM 227 OE1 GLU A 16 -2.957 17.720 -0.527 1.00 0.00 O ATOM 228 OE2 GLU A 16 -1.692 18.370 -2.203 1.00 0.00 O ATOM 0 H GLU A 16 -1.881 15.471 1.848 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.252 13.877 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.767 16.636 0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.512 16.037 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.794 16.063 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.171 15.377 -1.466 1.00 0.00 H new ATOM 235 N GLU A 17 1.147 14.020 1.891 1.00 0.00 N ATOM 236 CA GLU A 17 2.431 13.463 2.287 1.00 0.00 C ATOM 237 C GLU A 17 2.412 11.942 2.176 1.00 0.00 C ATOM 238 O GLU A 17 3.331 11.337 1.627 1.00 0.00 O ATOM 239 CB GLU A 17 2.756 13.876 3.724 1.00 0.00 C ATOM 240 CG GLU A 17 3.596 15.139 3.818 1.00 0.00 C ATOM 241 CD GLU A 17 2.781 16.399 3.599 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.255 16.579 2.480 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.669 17.205 4.546 1.00 0.00 O ATOM 0 H GLU A 17 0.669 14.536 2.629 1.00 0.00 H new ATOM 0 HA GLU A 17 3.200 13.851 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.824 14.028 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.285 13.060 4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.070 15.183 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.396 15.095 3.079 1.00 0.00 H new ATOM 250 N MET A 18 1.355 11.333 2.703 1.00 0.00 N ATOM 251 CA MET A 18 1.208 9.883 2.666 1.00 0.00 C ATOM 252 C MET A 18 1.026 9.390 1.233 1.00 0.00 C ATOM 253 O MET A 18 1.404 8.266 0.901 1.00 0.00 O ATOM 254 CB MET A 18 0.018 9.450 3.526 1.00 0.00 C ATOM 255 CG MET A 18 0.261 8.168 4.308 1.00 0.00 C ATOM 256 SD MET A 18 1.204 8.442 5.823 1.00 0.00 S ATOM 257 CE MET A 18 0.671 7.049 6.816 1.00 0.00 C ATOM 0 H MET A 18 0.586 11.822 3.162 1.00 0.00 H new ATOM 0 HA MET A 18 2.118 9.438 3.068 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.224 10.251 4.225 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.852 9.314 2.884 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.697 7.714 4.559 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.795 7.458 3.676 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.405 6.858 7.599 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.294 7.274 7.271 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.577 6.166 6.184 1.00 0.00 H new ATOM 267 N ILE A 19 0.449 10.239 0.385 1.00 0.00 N ATOM 268 CA ILE A 19 0.223 9.888 -1.013 1.00 0.00 C ATOM 269 C ILE A 19 1.540 9.849 -1.778 1.00 0.00 C ATOM 270 O ILE A 19 1.930 8.814 -2.316 1.00 0.00 O ATOM 271 CB ILE A 19 -0.739 10.888 -1.694 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.181 10.609 -1.265 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.609 10.818 -3.212 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.191 11.543 -1.892 1.00 0.00 C ATOM 0 H ILE A 19 0.130 11.173 0.642 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.233 8.898 -1.031 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.469 11.896 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.437 9.582 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.250 10.688 -0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.296 11.531 -3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.413 11.062 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.852 9.811 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.191 11.286 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.961 12.570 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.151 11.447 -2.977 1.00 0.00 H new ATOM 286 N ALA A 20 2.221 10.989 -1.819 1.00 0.00 N ATOM 287 CA ALA A 20 3.497 11.094 -2.513 1.00 0.00 C ATOM 288 C ALA A 20 4.427 9.948 -2.125 1.00 0.00 C ATOM 289 O ALA A 20 5.278 9.529 -2.909 1.00 0.00 O ATOM 290 CB ALA A 20 4.141 12.435 -2.207 1.00 0.00 C ATOM 0 H ALA A 20 1.909 11.854 -1.378 1.00 0.00 H new ATOM 0 HA ALA A 20 3.316 11.025 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.095 12.508 -2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.484 13.239 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.307 12.522 -1.133 1.00 0.00 H new ATOM 296 N GLU A 21 4.241 9.435 -0.913 1.00 0.00 N ATOM 297 CA GLU A 21 5.042 8.328 -0.415 1.00 0.00 C ATOM 298 C GLU A 21 4.405 7.002 -0.820 1.00 0.00 C ATOM 299 O GLU A 21 5.100 6.015 -1.063 1.00 0.00 O ATOM 300 CB GLU A 21 5.173 8.411 1.106 1.00 0.00 C ATOM 301 CG GLU A 21 5.630 9.774 1.600 1.00 0.00 C ATOM 302 CD GLU A 21 7.140 9.889 1.683 1.00 0.00 C ATOM 303 OE1 GLU A 21 7.808 9.700 0.645 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.654 10.169 2.786 1.00 0.00 O ATOM 0 H GLU A 21 3.538 9.772 -0.256 1.00 0.00 H new ATOM 0 HA GLU A 21 6.039 8.389 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.211 8.172 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.881 7.654 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.247 10.545 0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.200 9.962 2.584 1.00 0.00 H new ATOM 311 N PHE A 22 3.077 6.998 -0.906 1.00 0.00 N ATOM 312 CA PHE A 22 2.335 5.807 -1.301 1.00 0.00 C ATOM 313 C PHE A 22 2.786 5.341 -2.681 1.00 0.00 C ATOM 314 O PHE A 22 2.834 4.145 -2.965 1.00 0.00 O ATOM 315 CB PHE A 22 0.833 6.104 -1.325 1.00 0.00 C ATOM 316 CG PHE A 22 0.097 5.639 -0.100 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.160 4.316 0.302 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.661 6.528 0.645 1.00 0.00 C ATOM 319 CE1 PHE A 22 -0.521 3.887 1.426 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.344 6.104 1.769 1.00 0.00 C ATOM 321 CZ PHE A 22 -1.274 4.783 2.160 1.00 0.00 C ATOM 0 H PHE A 22 2.493 7.810 -0.706 1.00 0.00 H new ATOM 0 HA PHE A 22 2.532 5.018 -0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.688 7.178 -1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.393 5.629 -2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.747 3.612 -0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.719 7.564 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.464 2.852 1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.932 6.806 2.341 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.807 4.450 3.038 1.00 0.00 H new ATOM 331 N LYS A 23 3.115 6.307 -3.533 1.00 0.00 N ATOM 332 CA LYS A 23 3.564 6.019 -4.889 1.00 0.00 C ATOM 333 C LYS A 23 5.033 5.600 -4.910 1.00 0.00 C ATOM 334 O LYS A 23 5.530 5.102 -5.920 1.00 0.00 O ATOM 335 CB LYS A 23 3.358 7.246 -5.780 1.00 0.00 C ATOM 336 CG LYS A 23 3.734 7.009 -7.232 1.00 0.00 C ATOM 337 CD LYS A 23 5.153 7.471 -7.523 1.00 0.00 C ATOM 338 CE LYS A 23 5.239 8.212 -8.848 1.00 0.00 C ATOM 339 NZ LYS A 23 6.543 8.914 -9.008 1.00 0.00 N ATOM 0 H LYS A 23 3.078 7.301 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 23 2.970 5.189 -5.272 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.313 7.551 -5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.951 8.073 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.641 5.948 -7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.037 7.540 -7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.497 8.121 -6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.820 6.609 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.103 7.507 -9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.427 8.936 -8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.625 9.278 -9.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.596 9.706 -8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.320 8.249 -8.821 1.00 0.00 H new ATOM 353 N ALA A 24 5.728 5.812 -3.793 1.00 0.00 N ATOM 354 CA ALA A 24 7.144 5.462 -3.685 1.00 0.00 C ATOM 355 C ALA A 24 7.438 4.076 -4.255 1.00 0.00 C ATOM 356 O ALA A 24 8.055 3.947 -5.312 1.00 0.00 O ATOM 357 CB ALA A 24 7.592 5.528 -2.232 1.00 0.00 C ATOM 0 H ALA A 24 5.333 6.225 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 24 7.703 6.188 -4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.648 5.265 -2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.444 6.539 -1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.005 4.827 -1.638 1.00 0.00 H new ATOM 363 N ALA A 25 7.007 3.045 -3.538 1.00 0.00 N ATOM 364 CA ALA A 25 7.236 1.668 -3.960 1.00 0.00 C ATOM 365 C ALA A 25 6.283 1.241 -5.077 1.00 0.00 C ATOM 366 O ALA A 25 6.368 0.116 -5.571 1.00 0.00 O ATOM 367 CB ALA A 25 7.106 0.734 -2.765 1.00 0.00 C ATOM 0 H ALA A 25 6.496 3.137 -2.660 1.00 0.00 H new ATOM 0 HA ALA A 25 8.247 1.608 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.278 -0.293 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.842 1.006 -2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.104 0.820 -2.344 1.00 0.00 H new ATOM 373 N PHE A 26 5.380 2.134 -5.475 1.00 0.00 N ATOM 374 CA PHE A 26 4.418 1.829 -6.535 1.00 0.00 C ATOM 375 C PHE A 26 5.116 1.277 -7.777 1.00 0.00 C ATOM 376 O PHE A 26 4.520 0.532 -8.555 1.00 0.00 O ATOM 377 CB PHE A 26 3.619 3.079 -6.902 1.00 0.00 C ATOM 378 CG PHE A 26 2.560 2.832 -7.939 1.00 0.00 C ATOM 379 CD1 PHE A 26 2.904 2.641 -9.268 1.00 0.00 C ATOM 380 CD2 PHE A 26 1.222 2.792 -7.585 1.00 0.00 C ATOM 381 CE1 PHE A 26 1.931 2.413 -10.224 1.00 0.00 C ATOM 382 CE2 PHE A 26 0.245 2.565 -8.536 1.00 0.00 C ATOM 383 CZ PHE A 26 0.600 2.375 -9.857 1.00 0.00 C ATOM 0 H PHE A 26 5.293 3.071 -5.082 1.00 0.00 H new ATOM 0 HA PHE A 26 3.739 1.065 -6.157 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.149 3.477 -6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.304 3.843 -7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.943 2.671 -9.560 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.938 2.940 -6.553 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.212 2.265 -11.256 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.795 2.536 -8.246 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.162 2.197 -10.602 1.00 0.00 H new ATOM 393 N ASP A 27 6.380 1.646 -7.958 1.00 0.00 N ATOM 394 CA ASP A 27 7.153 1.187 -9.107 1.00 0.00 C ATOM 395 C ASP A 27 7.782 -0.176 -8.834 1.00 0.00 C ATOM 396 O ASP A 27 7.744 -1.068 -9.682 1.00 0.00 O ATOM 397 CB ASP A 27 8.241 2.202 -9.454 1.00 0.00 C ATOM 398 CG ASP A 27 7.672 3.557 -9.827 1.00 0.00 C ATOM 399 OD1 ASP A 27 6.510 3.608 -10.285 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.386 4.568 -9.662 1.00 0.00 O ATOM 0 H ASP A 27 6.891 2.261 -7.324 1.00 0.00 H new ATOM 0 HA ASP A 27 6.473 1.089 -9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.913 2.315 -8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.838 1.821 -10.283 1.00 0.00 H new ATOM 405 N MET A 28 8.362 -0.329 -7.648 1.00 0.00 N ATOM 406 CA MET A 28 9.002 -1.584 -7.267 1.00 0.00 C ATOM 407 C MET A 28 7.967 -2.689 -7.075 1.00 0.00 C ATOM 408 O MET A 28 8.254 -3.865 -7.297 1.00 0.00 O ATOM 409 CB MET A 28 9.810 -1.398 -5.982 1.00 0.00 C ATOM 410 CG MET A 28 10.883 -0.327 -6.088 1.00 0.00 C ATOM 411 SD MET A 28 12.087 -0.677 -7.384 1.00 0.00 S ATOM 412 CE MET A 28 13.164 0.747 -7.239 1.00 0.00 C ATOM 0 H MET A 28 8.402 0.399 -6.935 1.00 0.00 H new ATOM 0 HA MET A 28 9.674 -1.878 -8.073 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.131 -1.141 -5.169 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.279 -2.346 -5.717 1.00 0.00 H new ATOM 0 HG2 MET A 28 10.412 0.636 -6.286 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.399 -0.239 -5.132 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.962 0.676 -7.978 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.589 1.657 -7.412 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.596 0.776 -6.239 1.00 0.00 H new ATOM 422 N PHE A 29 6.765 -2.305 -6.661 1.00 0.00 N ATOM 423 CA PHE A 29 5.688 -3.265 -6.440 1.00 0.00 C ATOM 424 C PHE A 29 5.372 -4.037 -7.717 1.00 0.00 C ATOM 425 O PHE A 29 5.738 -5.203 -7.857 1.00 0.00 O ATOM 426 CB PHE A 29 4.430 -2.549 -5.947 1.00 0.00 C ATOM 427 CG PHE A 29 4.449 -2.233 -4.480 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.555 -3.243 -3.539 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.359 -0.922 -4.043 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.570 -2.950 -2.188 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.374 -0.624 -2.697 1.00 0.00 C ATOM 432 CZ PHE A 29 4.480 -1.638 -1.766 1.00 0.00 C ATOM 0 H PHE A 29 6.511 -1.336 -6.471 1.00 0.00 H new ATOM 0 HA PHE A 29 6.021 -3.972 -5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.308 -1.622 -6.507 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.561 -3.170 -6.164 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.627 -4.271 -3.864 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.276 -0.123 -4.765 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.652 -3.746 -1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.303 0.403 -2.371 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.492 -1.406 -0.711 1.00 0.00 H new ATOM 442 N ASP A 30 4.684 -3.376 -8.643 1.00 0.00 N ATOM 443 CA ASP A 30 4.307 -3.995 -9.907 1.00 0.00 C ATOM 444 C ASP A 30 5.525 -4.548 -10.639 1.00 0.00 C ATOM 445 O ASP A 30 6.444 -3.808 -10.989 1.00 0.00 O ATOM 446 CB ASP A 30 3.582 -2.988 -10.800 1.00 0.00 C ATOM 447 CG ASP A 30 2.128 -2.815 -10.409 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.430 -3.838 -10.248 1.00 0.00 O ATOM 449 OD2 ASP A 30 1.686 -1.655 -10.264 1.00 0.00 O ATOM 0 H ASP A 30 4.376 -2.409 -8.540 1.00 0.00 H new ATOM 0 HA ASP A 30 3.636 -4.824 -9.681 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.088 -2.024 -10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.640 -3.318 -11.837 1.00 0.00 H new ATOM 454 N ALA A 31 5.516 -5.853 -10.868 1.00 0.00 N ATOM 455 CA ALA A 31 6.610 -6.519 -11.564 1.00 0.00 C ATOM 456 C ALA A 31 6.307 -6.642 -13.053 1.00 0.00 C ATOM 457 O ALA A 31 7.149 -6.339 -13.897 1.00 0.00 O ATOM 458 CB ALA A 31 6.859 -7.891 -10.960 1.00 0.00 C ATOM 0 H ALA A 31 4.760 -6.475 -10.581 1.00 0.00 H new ATOM 0 HA ALA A 31 7.510 -5.915 -11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.678 -8.378 -11.489 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.120 -7.783 -9.907 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.958 -8.497 -11.050 1.00 0.00 H new ATOM 464 N ASP A 32 5.094 -7.086 -13.365 1.00 0.00 N ATOM 465 CA ASP A 32 4.667 -7.249 -14.748 1.00 0.00 C ATOM 466 C ASP A 32 3.829 -6.056 -15.196 1.00 0.00 C ATOM 467 O ASP A 32 3.812 -5.704 -16.376 1.00 0.00 O ATOM 468 CB ASP A 32 3.863 -8.540 -14.907 1.00 0.00 C ATOM 469 CG ASP A 32 2.660 -8.588 -13.983 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.656 -7.851 -12.975 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.723 -9.363 -14.270 1.00 0.00 O ATOM 0 H ASP A 32 4.387 -7.340 -12.675 1.00 0.00 H new ATOM 0 HA ASP A 32 5.556 -7.306 -15.376 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.528 -8.632 -15.940 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.508 -9.395 -14.704 1.00 0.00 H new ATOM 476 N GLY A 33 3.136 -5.438 -14.245 1.00 0.00 N ATOM 477 CA GLY A 33 2.306 -4.290 -14.559 1.00 0.00 C ATOM 478 C GLY A 33 0.995 -4.682 -15.211 1.00 0.00 C ATOM 479 O GLY A 33 0.570 -4.063 -16.186 1.00 0.00 O ATOM 0 H GLY A 33 3.135 -5.712 -13.262 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.101 -3.733 -13.645 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.853 -3.621 -15.224 1.00 0.00 H new ATOM 483 N GLY A 34 0.352 -5.713 -14.672 1.00 0.00 N ATOM 484 CA GLY A 34 -0.912 -6.166 -15.223 1.00 0.00 C ATOM 485 C GLY A 34 -1.681 -7.054 -14.265 1.00 0.00 C ATOM 486 O GLY A 34 -2.456 -7.911 -14.689 1.00 0.00 O ATOM 0 H GLY A 34 0.683 -6.242 -13.865 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.523 -5.301 -15.480 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.726 -6.711 -16.148 1.00 0.00 H new ATOM 490 N GLY A 35 -1.468 -6.851 -12.968 1.00 0.00 N ATOM 491 CA GLY A 35 -2.156 -7.650 -11.971 1.00 0.00 C ATOM 492 C GLY A 35 -2.067 -7.053 -10.581 1.00 0.00 C ATOM 493 O GLY A 35 -2.115 -7.775 -9.585 1.00 0.00 O ATOM 0 H GLY A 35 -0.832 -6.148 -12.591 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.204 -7.751 -12.252 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.731 -8.654 -11.959 1.00 0.00 H new ATOM 497 N ASP A 36 -1.937 -5.732 -10.509 1.00 0.00 N ATOM 498 CA ASP A 36 -1.842 -5.038 -9.229 1.00 0.00 C ATOM 499 C ASP A 36 -0.741 -5.641 -8.357 1.00 0.00 C ATOM 500 O ASP A 36 0.126 -6.365 -8.846 1.00 0.00 O ATOM 501 CB ASP A 36 -3.182 -5.097 -8.493 1.00 0.00 C ATOM 502 CG ASP A 36 -4.349 -4.722 -9.384 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.149 -3.916 -10.317 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.464 -5.234 -9.148 1.00 0.00 O ATOM 0 H ASP A 36 -1.895 -5.120 -11.324 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.589 -3.997 -9.429 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.335 -6.103 -8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.152 -4.424 -7.636 1.00 0.00 H new ATOM 509 N ILE A 37 -0.782 -5.331 -7.066 1.00 0.00 N ATOM 510 CA ILE A 37 0.207 -5.832 -6.123 1.00 0.00 C ATOM 511 C ILE A 37 -0.247 -7.140 -5.482 1.00 0.00 C ATOM 512 O ILE A 37 -1.366 -7.242 -4.978 1.00 0.00 O ATOM 513 CB ILE A 37 0.476 -4.792 -5.023 1.00 0.00 C ATOM 514 CG1 ILE A 37 0.905 -3.465 -5.652 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.526 -5.298 -4.046 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.382 -2.441 -4.648 1.00 0.00 C ATOM 0 H ILE A 37 -1.494 -4.732 -6.648 1.00 0.00 H new ATOM 0 HA ILE A 37 1.125 -6.019 -6.681 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.445 -4.628 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.703 -3.655 -6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.066 -3.050 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.700 -4.546 -3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.176 -6.219 -3.580 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.456 -5.493 -4.580 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.669 -1.527 -5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.580 -2.221 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.242 -2.835 -4.107 1.00 0.00 H new ATOM 528 N SER A 38 0.634 -8.134 -5.500 1.00 0.00 N ATOM 529 CA SER A 38 0.333 -9.436 -4.916 1.00 0.00 C ATOM 530 C SER A 38 1.079 -9.619 -3.595 1.00 0.00 C ATOM 531 O SER A 38 1.572 -8.653 -3.014 1.00 0.00 O ATOM 532 CB SER A 38 0.708 -10.554 -5.891 1.00 0.00 C ATOM 533 OG SER A 38 0.283 -11.816 -5.409 1.00 0.00 O ATOM 0 H SER A 38 1.564 -8.063 -5.913 1.00 0.00 H new ATOM 0 HA SER A 38 -0.738 -9.484 -4.719 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.253 -10.361 -6.863 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.788 -10.563 -6.040 1.00 0.00 H new ATOM 0 HG SER A 38 0.533 -12.513 -6.051 1.00 0.00 H new ATOM 539 N THR A 39 1.155 -10.860 -3.126 1.00 0.00 N ATOM 540 CA THR A 39 1.839 -11.162 -1.873 1.00 0.00 C ATOM 541 C THR A 39 3.351 -11.014 -2.023 1.00 0.00 C ATOM 542 O THR A 39 4.025 -10.508 -1.127 1.00 0.00 O ATOM 543 CB THR A 39 1.498 -12.580 -1.413 1.00 0.00 C ATOM 544 OG1 THR A 39 1.570 -13.490 -2.495 1.00 0.00 O ATOM 545 CG2 THR A 39 0.118 -12.696 -0.805 1.00 0.00 C ATOM 0 H THR A 39 0.752 -11.672 -3.594 1.00 0.00 H new ATOM 0 HA THR A 39 1.497 -10.449 -1.123 1.00 0.00 H new ATOM 0 HB THR A 39 2.236 -12.820 -0.647 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.350 -14.391 -2.180 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.060 -13.727 -0.500 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.048 -12.043 0.065 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.630 -12.401 -1.541 1.00 0.00 H new ATOM 553 N LYS A 40 3.876 -11.462 -3.159 1.00 0.00 N ATOM 554 CA LYS A 40 5.309 -11.382 -3.423 1.00 0.00 C ATOM 555 C LYS A 40 5.738 -9.945 -3.705 1.00 0.00 C ATOM 556 O LYS A 40 6.810 -9.512 -3.284 1.00 0.00 O ATOM 557 CB LYS A 40 5.680 -12.279 -4.605 1.00 0.00 C ATOM 558 CG LYS A 40 6.039 -13.699 -4.202 1.00 0.00 C ATOM 559 CD LYS A 40 6.723 -14.444 -5.337 1.00 0.00 C ATOM 560 CE LYS A 40 6.749 -15.943 -5.085 1.00 0.00 C ATOM 561 NZ LYS A 40 5.663 -16.649 -5.819 1.00 0.00 N ATOM 0 H LYS A 40 3.331 -11.884 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 40 5.835 -11.726 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.844 -12.309 -5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.523 -11.837 -5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.696 -13.677 -3.332 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.136 -14.234 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.202 -14.240 -6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.742 -14.076 -5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.715 -16.346 -5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.648 -16.133 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.716 -17.669 -5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.740 -16.283 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.774 -16.489 -6.841 1.00 0.00 H new ATOM 575 N GLU A 41 4.895 -9.212 -4.424 1.00 0.00 N ATOM 576 CA GLU A 41 5.188 -7.825 -4.768 1.00 0.00 C ATOM 577 C GLU A 41 5.401 -6.977 -3.518 1.00 0.00 C ATOM 578 O GLU A 41 6.076 -5.948 -3.564 1.00 0.00 O ATOM 579 CB GLU A 41 4.050 -7.237 -5.606 1.00 0.00 C ATOM 580 CG GLU A 41 3.853 -7.942 -6.938 1.00 0.00 C ATOM 581 CD GLU A 41 2.944 -7.175 -7.877 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.006 -5.929 -7.878 1.00 0.00 O ATOM 583 OE2 GLU A 41 2.167 -7.822 -8.612 1.00 0.00 O ATOM 0 H GLU A 41 4.003 -9.555 -4.780 1.00 0.00 H new ATOM 0 HA GLU A 41 6.110 -7.813 -5.350 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.123 -7.291 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.251 -6.181 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.822 -8.086 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.434 -8.933 -6.762 1.00 0.00 H new ATOM 590 N LEU A 42 4.819 -7.408 -2.403 1.00 0.00 N ATOM 591 CA LEU A 42 4.947 -6.678 -1.147 1.00 0.00 C ATOM 592 C LEU A 42 6.280 -6.976 -0.466 1.00 0.00 C ATOM 593 O LEU A 42 7.080 -6.073 -0.228 1.00 0.00 O ATOM 594 CB LEU A 42 3.787 -7.022 -0.210 1.00 0.00 C ATOM 595 CG LEU A 42 2.904 -5.837 0.186 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.738 -4.741 0.832 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.164 -5.297 -1.028 1.00 0.00 C ATOM 0 H LEU A 42 4.256 -8.256 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 42 4.915 -5.613 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.163 -7.776 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.192 -7.473 0.696 1.00 0.00 H new ATOM 0 HG LEU A 42 2.169 -6.183 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.093 -3.907 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.225 -5.133 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.495 -4.397 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.540 -4.454 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.885 -4.967 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.536 -6.082 -1.450 1.00 0.00 H new ATOM 609 N GLY A 43 6.510 -8.247 -0.153 1.00 0.00 N ATOM 610 CA GLY A 43 7.747 -8.639 0.501 1.00 0.00 C ATOM 611 C GLY A 43 8.977 -8.090 -0.198 1.00 0.00 C ATOM 612 O GLY A 43 9.999 -7.835 0.437 1.00 0.00 O ATOM 0 H GLY A 43 5.863 -9.013 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.734 -8.290 1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.807 -9.727 0.533 1.00 0.00 H new ATOM 616 N THR A 44 8.875 -7.909 -1.510 1.00 0.00 N ATOM 617 CA THR A 44 9.983 -7.387 -2.303 1.00 0.00 C ATOM 618 C THR A 44 10.440 -6.025 -1.779 1.00 0.00 C ATOM 619 O THR A 44 11.481 -5.910 -1.132 1.00 0.00 O ATOM 620 CB THR A 44 9.564 -7.284 -3.778 1.00 0.00 C ATOM 621 OG1 THR A 44 9.828 -8.498 -4.456 1.00 0.00 O ATOM 622 CG2 THR A 44 10.260 -6.174 -4.545 1.00 0.00 C ATOM 0 H THR A 44 8.034 -8.117 -2.049 1.00 0.00 H new ATOM 0 HA THR A 44 10.824 -8.075 -2.219 1.00 0.00 H new ATOM 0 HB THR A 44 8.498 -7.059 -3.750 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.554 -8.416 -5.393 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.909 -6.169 -5.577 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.035 -5.214 -4.080 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.337 -6.341 -4.529 1.00 0.00 H new ATOM 630 N VAL A 45 9.655 -4.998 -2.079 1.00 0.00 N ATOM 631 CA VAL A 45 9.968 -3.636 -1.663 1.00 0.00 C ATOM 632 C VAL A 45 10.004 -3.502 -0.142 1.00 0.00 C ATOM 633 O VAL A 45 10.693 -2.635 0.394 1.00 0.00 O ATOM 634 CB VAL A 45 8.935 -2.645 -2.232 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.532 -3.035 -1.793 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.263 -1.218 -1.814 1.00 0.00 C ATOM 0 H VAL A 45 8.790 -5.084 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 45 10.958 -3.403 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 45 8.978 -2.689 -3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.812 -2.326 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.302 -4.036 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.475 -3.023 -0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.519 -0.537 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.255 -1.146 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.250 -0.947 -2.188 1.00 0.00 H new ATOM 646 N MET A 46 9.255 -4.351 0.548 1.00 0.00 N ATOM 647 CA MET A 46 9.204 -4.305 2.004 1.00 0.00 C ATOM 648 C MET A 46 10.456 -4.919 2.626 1.00 0.00 C ATOM 649 O MET A 46 10.891 -4.499 3.698 1.00 0.00 O ATOM 650 CB MET A 46 7.954 -5.027 2.512 1.00 0.00 C ATOM 651 CG MET A 46 6.705 -4.160 2.482 1.00 0.00 C ATOM 652 SD MET A 46 5.871 -4.068 4.078 1.00 0.00 S ATOM 653 CE MET A 46 6.342 -2.426 4.617 1.00 0.00 C ATOM 0 H MET A 46 8.676 -5.077 0.126 1.00 0.00 H new ATOM 0 HA MET A 46 9.160 -3.258 2.304 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.785 -5.917 1.905 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.128 -5.366 3.533 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.976 -3.154 2.161 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.013 -4.556 1.739 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.235 -2.354 5.699 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.379 -2.236 4.341 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.699 -1.688 4.139 1.00 0.00 H new ATOM 663 N ARG A 47 11.031 -5.911 1.954 1.00 0.00 N ATOM 664 CA ARG A 47 12.232 -6.574 2.455 1.00 0.00 C ATOM 665 C ARG A 47 13.496 -5.844 2.009 1.00 0.00 C ATOM 666 O ARG A 47 14.526 -5.906 2.680 1.00 0.00 O ATOM 667 CB ARG A 47 12.278 -8.027 1.977 1.00 0.00 C ATOM 668 CG ARG A 47 11.233 -8.917 2.632 1.00 0.00 C ATOM 669 CD ARG A 47 11.145 -10.273 1.951 1.00 0.00 C ATOM 670 NE ARG A 47 12.343 -11.079 2.176 1.00 0.00 N ATOM 671 CZ ARG A 47 13.403 -11.085 1.369 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.425 -10.329 0.278 1.00 0.00 N ATOM 673 NH2 ARG A 47 14.446 -11.853 1.655 1.00 0.00 N ATOM 0 H ARG A 47 10.687 -6.273 1.065 1.00 0.00 H new ATOM 0 HA ARG A 47 12.191 -6.554 3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.137 -8.050 0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.268 -8.436 2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.479 -9.054 3.685 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.261 -8.426 2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.272 -10.809 2.323 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.999 -10.132 0.880 1.00 0.00 H new ATOM 0 HE ARG A 47 12.369 -11.675 3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.626 -9.737 0.052 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.241 -10.340 -0.334 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.435 -12.437 2.491 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.259 -11.859 1.039 1.00 0.00 H new ATOM 687 N MET A 48 13.417 -5.159 0.874 1.00 0.00 N ATOM 688 CA MET A 48 14.562 -4.426 0.346 1.00 0.00 C ATOM 689 C MET A 48 14.563 -2.973 0.820 1.00 0.00 C ATOM 690 O MET A 48 15.343 -2.155 0.331 1.00 0.00 O ATOM 691 CB MET A 48 14.565 -4.473 -1.183 1.00 0.00 C ATOM 692 CG MET A 48 13.386 -3.750 -1.817 1.00 0.00 C ATOM 693 SD MET A 48 13.895 -2.525 -3.041 1.00 0.00 S ATOM 694 CE MET A 48 12.500 -1.404 -2.991 1.00 0.00 C ATOM 0 H MET A 48 12.574 -5.096 0.303 1.00 0.00 H new ATOM 0 HA MET A 48 15.464 -4.907 0.723 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.491 -4.031 -1.550 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.559 -5.514 -1.506 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.730 -4.480 -2.291 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.805 -3.258 -1.037 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.716 -0.526 -3.600 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.615 -1.907 -3.381 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.318 -1.095 -1.962 1.00 0.00 H new ATOM 704 N LEU A 49 13.689 -2.654 1.770 1.00 0.00 N ATOM 705 CA LEU A 49 13.602 -1.297 2.298 1.00 0.00 C ATOM 706 C LEU A 49 13.894 -1.272 3.795 1.00 0.00 C ATOM 707 O LEU A 49 14.577 -0.376 4.289 1.00 0.00 O ATOM 708 CB LEU A 49 12.215 -0.711 2.026 1.00 0.00 C ATOM 709 CG LEU A 49 12.006 -0.177 0.610 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.629 0.457 0.479 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.097 0.821 0.247 1.00 0.00 C ATOM 0 H LEU A 49 13.033 -3.314 2.188 1.00 0.00 H new ATOM 0 HA LEU A 49 14.352 -0.689 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.468 -1.480 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.034 0.098 2.734 1.00 0.00 H new ATOM 0 HG LEU A 49 12.066 -1.013 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.496 0.832 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.863 -0.289 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.540 1.282 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.931 1.190 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.073 1.657 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.070 0.332 0.300 1.00 0.00 H new ATOM 723 N GLY A 50 13.372 -2.261 4.513 1.00 0.00 N ATOM 724 CA GLY A 50 13.591 -2.329 5.947 1.00 0.00 C ATOM 725 C GLY A 50 12.610 -3.252 6.643 1.00 0.00 C ATOM 726 O GLY A 50 12.967 -3.945 7.596 1.00 0.00 O ATOM 0 H GLY A 50 12.803 -3.015 4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.607 -2.673 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.507 -1.329 6.372 1.00 0.00 H new ATOM 730 N GLN A 51 11.369 -3.263 6.166 1.00 0.00 N ATOM 731 CA GLN A 51 10.335 -4.109 6.751 1.00 0.00 C ATOM 732 C GLN A 51 10.630 -5.583 6.495 1.00 0.00 C ATOM 733 O GLN A 51 11.405 -5.924 5.602 1.00 0.00 O ATOM 734 CB GLN A 51 8.963 -3.744 6.179 1.00 0.00 C ATOM 735 CG GLN A 51 7.831 -3.879 7.183 1.00 0.00 C ATOM 736 CD GLN A 51 7.908 -2.846 8.290 1.00 0.00 C ATOM 737 OE1 GLN A 51 8.776 -2.915 9.161 1.00 0.00 O ATOM 738 NE2 GLN A 51 6.997 -1.880 8.262 1.00 0.00 N ATOM 0 H GLN A 51 11.056 -2.697 5.378 1.00 0.00 H new ATOM 0 HA GLN A 51 10.328 -3.940 7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.992 -2.718 5.813 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.755 -4.383 5.321 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.877 -3.781 6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.855 -4.877 7.620 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.296 -1.862 7.521 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.999 -1.157 8.981 1.00 0.00 H new ATOM 747 N ASN A 52 10.011 -6.453 7.285 1.00 0.00 N ATOM 748 CA ASN A 52 10.214 -7.888 7.137 1.00 0.00 C ATOM 749 C ASN A 52 8.925 -8.658 7.421 1.00 0.00 C ATOM 750 O ASN A 52 8.882 -9.511 8.308 1.00 0.00 O ATOM 751 CB ASN A 52 11.326 -8.366 8.068 1.00 0.00 C ATOM 752 CG ASN A 52 11.126 -7.899 9.496 1.00 0.00 C ATOM 753 OD1 ASN A 52 10.331 -8.470 10.243 1.00 0.00 O ATOM 754 ND2 ASN A 52 11.849 -6.854 9.883 1.00 0.00 N ATOM 0 H ASN A 52 9.367 -6.191 8.031 1.00 0.00 H new ATOM 0 HA ASN A 52 10.507 -8.081 6.105 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.370 -9.455 8.048 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.285 -8.001 7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.757 -6.494 10.833 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.496 -6.412 9.230 1.00 0.00 H new ATOM 761 N PRO A 53 7.857 -8.367 6.663 1.00 0.00 N ATOM 762 CA PRO A 53 6.564 -9.036 6.831 1.00 0.00 C ATOM 763 C PRO A 53 6.578 -10.461 6.286 1.00 0.00 C ATOM 764 O PRO A 53 6.605 -10.672 5.074 1.00 0.00 O ATOM 765 CB PRO A 53 5.616 -8.162 6.013 1.00 0.00 C ATOM 766 CG PRO A 53 6.476 -7.580 4.947 1.00 0.00 C ATOM 767 CD PRO A 53 7.825 -7.366 5.579 1.00 0.00 C ATOM 0 HA PRO A 53 6.282 -9.135 7.879 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.801 -8.749 5.590 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.163 -7.384 6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.547 -8.252 4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.062 -6.640 4.581 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.633 -7.522 4.864 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.932 -6.352 5.965 1.00 0.00 H new ATOM 775 N THR A 54 6.562 -11.437 7.190 1.00 0.00 N ATOM 776 CA THR A 54 6.574 -12.843 6.799 1.00 0.00 C ATOM 777 C THR A 54 5.412 -13.162 5.864 1.00 0.00 C ATOM 778 O THR A 54 4.604 -12.290 5.542 1.00 0.00 O ATOM 779 CB THR A 54 6.507 -13.737 8.038 1.00 0.00 C ATOM 780 OG1 THR A 54 5.446 -13.338 8.888 1.00 0.00 O ATOM 781 CG2 THR A 54 7.780 -13.726 8.855 1.00 0.00 C ATOM 0 H THR A 54 6.541 -11.280 8.198 1.00 0.00 H new ATOM 0 HA THR A 54 7.505 -13.037 6.267 1.00 0.00 H new ATOM 0 HB THR A 54 6.349 -14.746 7.657 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.419 -13.923 9.674 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.664 -14.381 9.719 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.609 -14.078 8.241 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.986 -12.711 9.195 1.00 0.00 H new ATOM 789 N LYS A 55 5.335 -14.417 5.431 1.00 0.00 N ATOM 790 CA LYS A 55 4.271 -14.851 4.532 1.00 0.00 C ATOM 791 C LYS A 55 2.898 -14.581 5.140 1.00 0.00 C ATOM 792 O LYS A 55 1.989 -14.107 4.459 1.00 0.00 O ATOM 793 CB LYS A 55 4.418 -16.341 4.217 1.00 0.00 C ATOM 794 CG LYS A 55 3.725 -16.762 2.931 1.00 0.00 C ATOM 795 CD LYS A 55 4.464 -16.250 1.704 1.00 0.00 C ATOM 796 CE LYS A 55 3.744 -15.070 1.071 1.00 0.00 C ATOM 797 NZ LYS A 55 3.804 -15.115 -0.415 1.00 0.00 N ATOM 0 H LYS A 55 5.996 -15.150 5.688 1.00 0.00 H new ATOM 0 HA LYS A 55 4.356 -14.280 3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.478 -16.586 4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.012 -16.921 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.661 -17.849 2.891 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.703 -16.382 2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.475 -15.953 1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.559 -17.054 0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.702 -15.066 1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.190 -14.140 1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.941 -14.153 -0.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.598 -15.717 -0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.915 -15.506 -0.787 1.00 0.00 H new ATOM 811 N CYS A 56 2.758 -14.882 6.427 1.00 0.00 N ATOM 812 CA CYS A 56 1.498 -14.668 7.129 1.00 0.00 C ATOM 813 C CYS A 56 1.258 -13.182 7.369 1.00 0.00 C ATOM 814 O CYS A 56 0.115 -12.725 7.414 1.00 0.00 O ATOM 815 CB CYS A 56 1.499 -15.420 8.461 1.00 0.00 C ATOM 816 SG CYS A 56 1.863 -17.184 8.311 1.00 0.00 S ATOM 0 H CYS A 56 3.501 -15.275 7.005 1.00 0.00 H new ATOM 0 HA CYS A 56 0.691 -15.052 6.505 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.234 -14.963 9.124 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.525 -15.300 8.935 1.00 0.00 H new ATOM 0 HG CYS A 56 1.843 -17.733 9.489 1.00 0.00 H new ATOM 822 N GLU A 57 2.343 -12.430 7.522 1.00 0.00 N ATOM 823 CA GLU A 57 2.257 -10.993 7.757 1.00 0.00 C ATOM 824 C GLU A 57 1.486 -10.303 6.636 1.00 0.00 C ATOM 825 O GLU A 57 0.464 -9.661 6.874 1.00 0.00 O ATOM 826 CB GLU A 57 3.659 -10.393 7.872 1.00 0.00 C ATOM 827 CG GLU A 57 3.822 -9.455 9.056 1.00 0.00 C ATOM 828 CD GLU A 57 3.655 -7.998 8.673 1.00 0.00 C ATOM 829 OE1 GLU A 57 3.039 -7.728 7.620 1.00 0.00 O ATOM 830 OE2 GLU A 57 4.140 -7.127 9.425 1.00 0.00 O ATOM 0 H GLU A 57 3.295 -12.793 7.487 1.00 0.00 H new ATOM 0 HA GLU A 57 1.721 -10.833 8.692 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.386 -11.201 7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.890 -9.851 6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.090 -9.712 9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.808 -9.600 9.497 1.00 0.00 H new ATOM 837 N LEU A 58 1.986 -10.440 5.412 1.00 0.00 N ATOM 838 CA LEU A 58 1.346 -9.831 4.253 1.00 0.00 C ATOM 839 C LEU A 58 0.018 -10.515 3.947 1.00 0.00 C ATOM 840 O LEU A 58 -0.921 -9.882 3.465 1.00 0.00 O ATOM 841 CB LEU A 58 2.271 -9.908 3.035 1.00 0.00 C ATOM 842 CG LEU A 58 3.722 -9.497 3.295 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.633 -10.035 2.203 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.839 -7.984 3.391 1.00 0.00 C ATOM 0 H LEU A 58 2.832 -10.967 5.198 1.00 0.00 H new ATOM 0 HA LEU A 58 1.149 -8.784 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.262 -10.930 2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.865 -9.272 2.249 1.00 0.00 H new ATOM 0 HG LEU A 58 4.036 -9.927 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.661 -9.733 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.572 -11.123 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.320 -9.635 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.878 -7.710 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.506 -7.533 2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.217 -7.622 4.210 1.00 0.00 H new ATOM 856 N ASP A 59 -0.053 -11.810 4.234 1.00 0.00 N ATOM 857 CA ASP A 59 -1.268 -12.581 3.995 1.00 0.00 C ATOM 858 C ASP A 59 -2.397 -12.121 4.909 1.00 0.00 C ATOM 859 O ASP A 59 -3.571 -12.339 4.613 1.00 0.00 O ATOM 860 CB ASP A 59 -1.001 -14.073 4.203 1.00 0.00 C ATOM 861 CG ASP A 59 -0.593 -14.771 2.921 1.00 0.00 C ATOM 862 OD1 ASP A 59 0.548 -14.552 2.462 1.00 0.00 O ATOM 863 OD2 ASP A 59 -1.414 -15.538 2.375 1.00 0.00 O ATOM 0 H ASP A 59 0.716 -12.348 4.632 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.574 -12.415 2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.215 -14.198 4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.897 -14.548 4.603 1.00 0.00 H new ATOM 868 N ALA A 60 -2.039 -11.483 6.018 1.00 0.00 N ATOM 869 CA ALA A 60 -3.031 -10.995 6.963 1.00 0.00 C ATOM 870 C ALA A 60 -3.576 -9.640 6.525 1.00 0.00 C ATOM 871 O ALA A 60 -4.739 -9.318 6.772 1.00 0.00 O ATOM 872 CB ALA A 60 -2.435 -10.904 8.359 1.00 0.00 C ATOM 0 H ALA A 60 -1.072 -11.293 6.282 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.859 -11.703 6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.190 -10.537 9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.099 -11.891 8.676 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.588 -10.218 8.349 1.00 0.00 H new ATOM 878 N ILE A 61 -2.730 -8.854 5.869 1.00 0.00 N ATOM 879 CA ILE A 61 -3.123 -7.539 5.390 1.00 0.00 C ATOM 880 C ILE A 61 -3.862 -7.654 4.058 1.00 0.00 C ATOM 881 O ILE A 61 -5.009 -7.223 3.936 1.00 0.00 O ATOM 882 CB ILE A 61 -1.891 -6.619 5.235 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.395 -6.164 6.610 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.213 -5.415 4.365 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.318 -7.056 7.189 1.00 0.00 C ATOM 0 H ILE A 61 -1.765 -9.108 5.657 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.793 -7.098 6.128 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.102 -7.188 4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.010 -5.147 6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.239 -6.132 7.299 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.328 -4.785 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.522 -5.753 3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.020 -4.842 4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.014 -6.674 8.164 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.706 -8.069 7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.542 -7.069 6.520 1.00 0.00 H new ATOM 897 N ILE A 62 -3.198 -8.242 3.064 1.00 0.00 N ATOM 898 CA ILE A 62 -3.792 -8.421 1.739 1.00 0.00 C ATOM 899 C ILE A 62 -5.224 -8.943 1.842 1.00 0.00 C ATOM 900 O ILE A 62 -6.123 -8.458 1.155 1.00 0.00 O ATOM 901 CB ILE A 62 -2.955 -9.390 0.878 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.567 -8.799 0.626 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.662 -9.690 -0.440 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.707 -9.645 -0.285 1.00 0.00 C ATOM 0 H ILE A 62 -2.248 -8.603 3.151 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.805 -7.442 1.260 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.842 -10.330 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.677 -7.806 0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.056 -8.672 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.054 -10.375 -1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.631 -10.147 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.807 -8.763 -0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.262 -9.165 -0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.566 -10.630 0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.197 -9.751 -1.253 1.00 0.00 H new ATOM 916 N CYS A 63 -5.429 -9.930 2.709 1.00 0.00 N ATOM 917 CA CYS A 63 -6.752 -10.510 2.903 1.00 0.00 C ATOM 918 C CYS A 63 -7.737 -9.440 3.364 1.00 0.00 C ATOM 919 O CYS A 63 -8.887 -9.410 2.925 1.00 0.00 O ATOM 920 CB CYS A 63 -6.692 -11.647 3.926 1.00 0.00 C ATOM 921 SG CYS A 63 -7.380 -13.209 3.330 1.00 0.00 S ATOM 0 H CYS A 63 -4.697 -10.344 3.287 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.095 -10.915 1.951 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.654 -11.806 4.216 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.231 -11.343 4.824 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.283 -14.110 4.262 1.00 0.00 H new ATOM 927 N GLU A 64 -7.272 -8.558 4.241 1.00 0.00 N ATOM 928 CA GLU A 64 -8.105 -7.477 4.751 1.00 0.00 C ATOM 929 C GLU A 64 -8.234 -6.373 3.708 1.00 0.00 C ATOM 930 O GLU A 64 -9.272 -5.718 3.604 1.00 0.00 O ATOM 931 CB GLU A 64 -7.515 -6.912 6.045 1.00 0.00 C ATOM 932 CG GLU A 64 -8.063 -7.569 7.302 1.00 0.00 C ATOM 933 CD GLU A 64 -7.024 -8.410 8.020 1.00 0.00 C ATOM 934 OE1 GLU A 64 -6.182 -7.829 8.736 1.00 0.00 O ATOM 935 OE2 GLU A 64 -7.055 -9.649 7.868 1.00 0.00 O ATOM 0 H GLU A 64 -6.322 -8.571 4.613 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.096 -7.876 4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.432 -7.034 6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.715 -5.841 6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.433 -6.799 7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.914 -8.197 7.038 1.00 0.00 H new ATOM 942 N VAL A 65 -7.173 -6.181 2.931 1.00 0.00 N ATOM 943 CA VAL A 65 -7.163 -5.167 1.885 1.00 0.00 C ATOM 944 C VAL A 65 -8.149 -5.528 0.778 1.00 0.00 C ATOM 945 O VAL A 65 -9.038 -4.745 0.442 1.00 0.00 O ATOM 946 CB VAL A 65 -5.754 -5.003 1.275 1.00 0.00 C ATOM 947 CG1 VAL A 65 -5.786 -4.054 0.084 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.768 -4.513 2.325 1.00 0.00 C ATOM 0 H VAL A 65 -6.308 -6.716 3.007 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.459 -4.224 2.344 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.422 -5.979 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.782 -3.954 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.455 -4.451 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.144 -3.077 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.781 -4.404 1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.098 -3.549 2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.717 -5.234 3.141 1.00 0.00 H new ATOM 958 N ASP A 66 -7.980 -6.719 0.217 1.00 0.00 N ATOM 959 CA ASP A 66 -8.847 -7.192 -0.855 1.00 0.00 C ATOM 960 C ASP A 66 -10.263 -7.434 -0.344 1.00 0.00 C ATOM 961 O ASP A 66 -10.482 -8.259 0.542 1.00 0.00 O ATOM 962 CB ASP A 66 -8.283 -8.477 -1.459 1.00 0.00 C ATOM 963 CG ASP A 66 -7.155 -8.206 -2.436 1.00 0.00 C ATOM 964 OD1 ASP A 66 -5.995 -8.094 -1.987 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.432 -8.107 -3.649 1.00 0.00 O ATOM 0 H ASP A 66 -7.249 -7.376 0.487 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.887 -6.422 -1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.921 -9.123 -0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.081 -9.017 -1.969 1.00 0.00 H new ATOM 970 N GLU A 67 -11.222 -6.711 -0.914 1.00 0.00 N ATOM 971 CA GLU A 67 -12.618 -6.848 -0.519 1.00 0.00 C ATOM 972 C GLU A 67 -13.397 -7.661 -1.548 1.00 0.00 C ATOM 973 O GLU A 67 -14.601 -7.476 -1.717 1.00 0.00 O ATOM 974 CB GLU A 67 -13.259 -5.469 -0.350 1.00 0.00 C ATOM 975 CG GLU A 67 -13.208 -4.945 1.076 1.00 0.00 C ATOM 976 CD GLU A 67 -14.180 -5.661 1.994 1.00 0.00 C ATOM 977 OE1 GLU A 67 -13.928 -6.839 2.323 1.00 0.00 O ATOM 978 OE2 GLU A 67 -15.192 -5.042 2.385 1.00 0.00 O ATOM 0 H GLU A 67 -11.057 -6.025 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.650 -7.376 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.755 -4.760 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.299 -5.519 -0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.196 -5.058 1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.432 -3.878 1.076 1.00 0.00 H new ATOM 985 N ASP A 68 -12.701 -8.564 -2.233 1.00 0.00 N ATOM 986 CA ASP A 68 -13.331 -9.404 -3.244 1.00 0.00 C ATOM 987 C ASP A 68 -12.546 -10.697 -3.454 1.00 0.00 C ATOM 988 O ASP A 68 -12.602 -11.300 -4.526 1.00 0.00 O ATOM 989 CB ASP A 68 -13.446 -8.643 -4.567 1.00 0.00 C ATOM 990 CG ASP A 68 -12.111 -8.105 -5.048 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.381 -7.507 -4.229 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.796 -8.282 -6.243 1.00 0.00 O ATOM 0 H ASP A 68 -11.703 -8.732 -2.106 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.329 -9.664 -2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.862 -9.304 -5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.145 -7.815 -4.446 1.00 0.00 H new ATOM 997 N GLY A 69 -11.817 -11.120 -2.423 1.00 0.00 N ATOM 998 CA GLY A 69 -11.032 -12.342 -2.515 1.00 0.00 C ATOM 999 C GLY A 69 -10.206 -12.413 -3.786 1.00 0.00 C ATOM 1000 O GLY A 69 -10.309 -13.373 -4.549 1.00 0.00 O ATOM 0 H GLY A 69 -11.756 -10.639 -1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.370 -12.409 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.700 -13.202 -2.472 1.00 0.00 H new ATOM 1004 N SER A 70 -9.390 -11.389 -4.015 1.00 0.00 N ATOM 1005 CA SER A 70 -8.548 -11.335 -5.205 1.00 0.00 C ATOM 1006 C SER A 70 -7.067 -11.349 -4.842 1.00 0.00 C ATOM 1007 O SER A 70 -6.227 -11.754 -5.647 1.00 0.00 O ATOM 1008 CB SER A 70 -8.859 -10.076 -6.016 1.00 0.00 C ATOM 1009 OG SER A 70 -9.197 -8.992 -5.168 1.00 0.00 O ATOM 0 H SER A 70 -9.294 -10.586 -3.393 1.00 0.00 H new ATOM 0 HA SER A 70 -8.765 -12.221 -5.802 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.995 -9.809 -6.625 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.683 -10.276 -6.701 1.00 0.00 H new ATOM 0 HG SER A 70 -8.388 -8.484 -4.948 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.748 -10.891 -3.636 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.363 -10.849 -3.208 1.00 0.00 C ATOM 1017 C GLY A 71 -4.557 -9.822 -3.981 1.00 0.00 C ATOM 1018 O GLY A 71 -3.328 -9.795 -3.898 1.00 0.00 O ATOM 0 H GLY A 71 -7.421 -10.549 -2.950 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.320 -10.617 -2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.914 -11.834 -3.338 1.00 0.00 H new ATOM 1022 N THR A 72 -5.250 -8.975 -4.742 1.00 0.00 N ATOM 1023 CA THR A 72 -4.594 -7.945 -5.535 1.00 0.00 C ATOM 1024 C THR A 72 -4.910 -6.555 -4.993 1.00 0.00 C ATOM 1025 O THR A 72 -6.038 -6.278 -4.585 1.00 0.00 O ATOM 1026 CB THR A 72 -5.031 -8.052 -6.996 1.00 0.00 C ATOM 1027 OG1 THR A 72 -6.444 -8.109 -7.092 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.474 -9.272 -7.696 1.00 0.00 C ATOM 0 H THR A 72 -6.267 -8.985 -4.824 1.00 0.00 H new ATOM 0 HA THR A 72 -3.517 -8.098 -5.471 1.00 0.00 H new ATOM 0 HB THR A 72 -4.637 -7.160 -7.484 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.705 -8.176 -8.034 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.821 -9.289 -8.729 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.385 -9.235 -7.680 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.814 -10.172 -7.184 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.904 -5.687 -4.990 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.068 -4.326 -4.493 1.00 0.00 C ATOM 1038 C ILE A 73 -4.113 -3.317 -5.636 1.00 0.00 C ATOM 1039 O ILE A 73 -3.073 -2.878 -6.127 1.00 0.00 O ATOM 1040 CB ILE A 73 -2.922 -3.941 -3.542 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.698 -5.039 -2.500 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.221 -2.611 -2.865 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.436 -4.850 -1.688 1.00 0.00 C ATOM 0 H ILE A 73 -2.965 -5.902 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.015 -4.301 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.008 -3.833 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.554 -5.069 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.655 -6.004 -3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.401 -2.351 -2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.331 -1.834 -3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.145 -2.694 -2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.340 -5.664 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.572 -4.850 -2.353 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.485 -3.900 -1.156 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.321 -2.944 -6.049 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.496 -1.978 -7.131 1.00 0.00 C ATOM 1057 C ASP A 74 -4.699 -0.704 -6.862 1.00 0.00 C ATOM 1058 O ASP A 74 -4.011 -0.594 -5.846 1.00 0.00 O ATOM 1059 CB ASP A 74 -6.977 -1.640 -7.305 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.362 -1.463 -8.762 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -6.500 -1.032 -9.555 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -8.525 -1.758 -9.109 1.00 0.00 O ATOM 0 H ASP A 74 -6.193 -3.295 -5.652 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.122 -2.429 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.582 -2.433 -6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.205 -0.725 -6.758 1.00 0.00 H new ATOM 1067 N PHE A 75 -4.796 0.258 -7.776 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.083 1.525 -7.634 1.00 0.00 C ATOM 1069 C PHE A 75 -4.349 2.154 -6.269 1.00 0.00 C ATOM 1070 O PHE A 75 -3.508 2.090 -5.371 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.496 2.493 -8.745 1.00 0.00 C ATOM 1072 CG PHE A 75 -4.007 2.088 -10.107 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -4.744 1.214 -10.890 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -2.811 2.581 -10.603 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -4.297 0.840 -12.143 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -2.358 2.211 -11.855 1.00 0.00 C ATOM 1077 CZ PHE A 75 -3.103 1.339 -12.626 1.00 0.00 C ATOM 0 H PHE A 75 -5.361 0.185 -8.622 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.015 1.322 -7.715 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.583 2.567 -8.766 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.113 3.486 -8.511 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.678 0.821 -10.517 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.226 3.263 -10.004 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.881 0.158 -12.744 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.424 2.602 -12.230 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.752 1.048 -13.605 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.521 2.760 -6.119 1.00 0.00 N ATOM 1088 CA GLU A 76 -5.897 3.399 -4.863 1.00 0.00 C ATOM 1089 C GLU A 76 -5.939 2.384 -3.726 1.00 0.00 C ATOM 1090 O GLU A 76 -5.736 2.731 -2.562 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.264 4.069 -4.997 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.262 5.289 -5.902 1.00 0.00 C ATOM 1093 CD GLU A 76 -7.308 4.925 -7.373 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -7.871 3.860 -7.703 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -6.783 5.704 -8.195 1.00 0.00 O ATOM 0 H GLU A 76 -6.228 2.822 -6.852 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.144 4.153 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.978 3.342 -5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.613 4.363 -4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.119 5.917 -5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.368 5.881 -5.706 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.214 1.131 -4.070 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.294 0.063 -3.080 1.00 0.00 C ATOM 1104 C GLU A 77 -5.041 0.007 -2.210 1.00 0.00 C ATOM 1105 O GLU A 77 -5.086 -0.495 -1.088 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.513 -1.285 -3.772 1.00 0.00 C ATOM 1107 CG GLU A 77 -7.940 -1.793 -3.668 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.072 -3.253 -4.057 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.462 -4.105 -3.377 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -8.784 -3.545 -5.039 1.00 0.00 O ATOM 0 H GLU A 77 -6.386 0.829 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.143 0.277 -2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.244 -1.192 -4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.840 -2.023 -3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.295 -1.660 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.583 -1.191 -4.310 1.00 0.00 H new ATOM 1117 N PHE A 78 -3.927 0.522 -2.727 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.669 0.521 -1.982 1.00 0.00 C ATOM 1119 C PHE A 78 -2.701 1.539 -0.843 1.00 0.00 C ATOM 1120 O PHE A 78 -1.870 1.492 0.064 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.492 0.816 -2.910 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.160 0.721 -2.223 1.00 0.00 C ATOM 1123 CD1 PHE A 78 0.280 -0.487 -1.706 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.647 1.838 -2.088 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.500 -0.578 -1.067 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.869 1.752 -1.450 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.297 0.543 -0.939 1.00 0.00 C ATOM 0 H PHE A 78 -3.869 0.943 -3.654 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.541 -0.473 -1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.513 0.117 -3.746 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.608 1.816 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.338 -1.367 -1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.317 2.786 -2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.831 -1.525 -0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.490 2.630 -1.351 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.253 0.474 -0.440 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.669 2.445 -0.878 1.00 0.00 N ATOM 1138 CA LEU A 79 -3.808 3.445 0.172 1.00 0.00 C ATOM 1139 C LEU A 79 -4.818 2.966 1.205 1.00 0.00 C ATOM 1140 O LEU A 79 -4.556 3.000 2.407 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.244 4.791 -0.411 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.281 5.399 -1.436 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -3.818 5.221 -2.847 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.044 6.874 -1.139 1.00 0.00 C ATOM 0 H LEU A 79 -4.367 2.508 -1.619 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.839 3.583 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.219 4.667 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.373 5.499 0.408 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.328 4.875 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.120 5.659 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.935 4.159 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.785 5.717 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.358 7.288 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.992 7.411 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.613 6.980 -0.143 1.00 0.00 H new ATOM 1156 N VAL A 80 -5.967 2.507 0.722 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.019 2.008 1.598 1.00 0.00 C ATOM 1158 C VAL A 80 -6.514 0.850 2.447 1.00 0.00 C ATOM 1159 O VAL A 80 -6.906 0.697 3.604 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.255 1.549 0.795 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -7.983 0.237 0.074 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -9.464 1.424 1.710 1.00 0.00 C ATOM 0 H VAL A 80 -6.193 2.470 -0.272 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.311 2.833 2.248 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.471 2.304 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.870 -0.063 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.148 0.367 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.735 -0.534 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.328 1.100 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.256 0.692 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.676 2.391 2.167 1.00 0.00 H new ATOM 1172 N MET A 81 -5.636 0.035 1.865 1.00 0.00 N ATOM 1173 CA MET A 81 -5.072 -1.111 2.567 1.00 0.00 C ATOM 1174 C MET A 81 -4.579 -0.703 3.946 1.00 0.00 C ATOM 1175 O MET A 81 -4.774 -1.418 4.927 1.00 0.00 O ATOM 1176 CB MET A 81 -3.917 -1.715 1.767 1.00 0.00 C ATOM 1177 CG MET A 81 -3.051 -0.693 1.063 1.00 0.00 C ATOM 1178 SD MET A 81 -1.335 -1.219 0.927 1.00 0.00 S ATOM 1179 CE MET A 81 -0.899 -1.309 2.656 1.00 0.00 C ATOM 0 H MET A 81 -5.301 0.149 0.908 1.00 0.00 H new ATOM 0 HA MET A 81 -5.857 -1.859 2.678 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.292 -2.303 2.439 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.323 -2.403 1.026 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.451 -0.508 0.066 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.096 0.252 1.605 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.103 -0.906 2.800 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.611 -0.728 3.242 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.922 -2.348 2.984 1.00 0.00 H new ATOM 1189 N MET A 82 -3.942 0.457 4.007 1.00 0.00 N ATOM 1190 CA MET A 82 -3.417 0.979 5.258 1.00 0.00 C ATOM 1191 C MET A 82 -4.493 1.742 6.023 1.00 0.00 C ATOM 1192 O MET A 82 -4.512 1.741 7.250 1.00 0.00 O ATOM 1193 CB MET A 82 -2.216 1.883 4.992 1.00 0.00 C ATOM 1194 CG MET A 82 -0.906 1.290 5.487 1.00 0.00 C ATOM 1195 SD MET A 82 0.256 2.547 6.040 1.00 0.00 S ATOM 1196 CE MET A 82 0.188 3.664 4.649 1.00 0.00 C ATOM 0 H MET A 82 -3.776 1.057 3.199 1.00 0.00 H new ATOM 0 HA MET A 82 -3.095 0.137 5.870 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.141 2.073 3.921 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.379 2.846 5.476 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.110 0.602 6.308 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.451 0.706 4.687 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.855 4.508 4.827 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.499 3.140 3.746 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.832 4.028 4.524 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.390 2.390 5.286 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.471 3.153 5.898 1.00 0.00 C ATOM 1208 C VAL A 83 -7.311 2.269 6.816 1.00 0.00 C ATOM 1209 O VAL A 83 -7.878 2.740 7.802 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.388 3.786 4.821 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.637 4.408 5.440 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.626 4.821 4.008 1.00 0.00 C ATOM 0 H VAL A 83 -5.389 2.402 4.266 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.012 3.948 6.486 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.711 2.986 4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.255 4.842 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.204 3.639 5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.345 5.188 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.288 5.253 3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.264 5.608 4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.779 4.344 3.514 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.398 0.990 6.477 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.185 0.049 7.263 1.00 0.00 C ATOM 1224 C ARG A 84 -7.410 -0.481 8.468 1.00 0.00 C ATOM 1225 O ARG A 84 -8.007 -0.963 9.430 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.641 -1.116 6.385 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.344 -0.678 5.110 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.303 -1.747 4.615 1.00 0.00 C ATOM 1229 NE ARG A 84 -10.586 -1.615 3.187 1.00 0.00 N ATOM 1230 CZ ARG A 84 -9.683 -1.816 2.231 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -8.434 -2.138 2.544 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -10.028 -1.691 0.957 1.00 0.00 N ATOM 0 H ARG A 84 -6.935 0.581 5.665 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.055 0.587 7.640 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.775 -1.723 6.122 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.313 -1.752 6.960 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.890 0.248 5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.604 -0.465 4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.879 -2.732 4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.235 -1.684 5.176 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.531 -1.353 2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.162 -2.233 3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.747 -2.291 1.806 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.986 -1.441 0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.336 -1.845 0.224 1.00 0.00 H new ATOM 1246 N GLN A 85 -6.084 -0.392 8.420 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.252 -0.868 9.522 1.00 0.00 C ATOM 1248 C GLN A 85 -4.544 0.292 10.214 1.00 0.00 C ATOM 1249 O GLN A 85 -3.770 0.090 11.150 1.00 0.00 O ATOM 1250 CB GLN A 85 -4.213 -1.880 9.026 1.00 0.00 C ATOM 1251 CG GLN A 85 -4.656 -2.672 7.806 1.00 0.00 C ATOM 1252 CD GLN A 85 -6.018 -3.314 7.989 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -6.473 -3.522 9.114 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -6.676 -3.631 6.880 1.00 0.00 N ATOM 0 H GLN A 85 -5.565 0.002 7.636 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.910 -1.358 10.240 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.290 -1.351 8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.983 -2.575 9.834 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.683 -2.012 6.939 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.919 -3.447 7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.260 -3.440 5.968 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.597 -4.065 6.940 1.00 0.00 H new ATOM 1263 N MET A 86 -4.807 1.508 9.745 1.00 0.00 N ATOM 1264 CA MET A 86 -4.188 2.692 10.317 1.00 0.00 C ATOM 1265 C MET A 86 -5.238 3.614 10.940 1.00 0.00 C ATOM 1266 O MET A 86 -4.942 4.367 11.867 1.00 0.00 O ATOM 1267 CB MET A 86 -3.356 3.412 9.241 1.00 0.00 C ATOM 1268 CG MET A 86 -4.107 4.454 8.426 1.00 0.00 C ATOM 1269 SD MET A 86 -3.048 5.820 7.912 1.00 0.00 S ATOM 1270 CE MET A 86 -2.148 5.064 6.559 1.00 0.00 C ATOM 0 H MET A 86 -5.444 1.696 8.971 1.00 0.00 H new ATOM 0 HA MET A 86 -3.517 2.392 11.122 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.508 3.896 9.725 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.950 2.665 8.559 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.538 3.980 7.544 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.937 4.843 9.016 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.700 5.842 5.941 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.364 4.421 6.958 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.832 4.469 5.954 1.00 0.00 H new ATOM 1280 N LYS A 87 -6.469 3.539 10.434 1.00 0.00 N ATOM 1281 CA LYS A 87 -7.558 4.358 10.955 1.00 0.00 C ATOM 1282 C LYS A 87 -8.629 3.486 11.603 1.00 0.00 C ATOM 1283 O LYS A 87 -9.486 2.927 10.919 1.00 0.00 O ATOM 1284 CB LYS A 87 -8.180 5.191 9.835 1.00 0.00 C ATOM 1285 CG LYS A 87 -7.214 6.182 9.210 1.00 0.00 C ATOM 1286 CD LYS A 87 -6.948 5.862 7.750 1.00 0.00 C ATOM 1287 CE LYS A 87 -7.568 6.904 6.834 1.00 0.00 C ATOM 1288 NZ LYS A 87 -7.096 8.280 7.161 1.00 0.00 N ATOM 0 H LYS A 87 -6.734 2.921 9.667 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.146 5.026 11.711 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.554 4.522 9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.039 5.733 10.230 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.622 7.189 9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.274 6.172 9.762 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.873 5.815 7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.353 4.878 7.512 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.320 6.671 5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.654 6.862 6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.913 8.883 7.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.457 8.242 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.588 8.676 6.344 1.00 0.00 H new ATOM 1302 N GLU A 88 -8.574 3.371 12.926 1.00 0.00 N ATOM 1303 CA GLU A 88 -9.542 2.565 13.663 1.00 0.00 C ATOM 1304 C GLU A 88 -9.474 1.104 13.229 1.00 0.00 C ATOM 1305 O GLU A 88 -8.571 0.707 12.492 1.00 0.00 O ATOM 1306 CB GLU A 88 -10.956 3.109 13.448 1.00 0.00 C ATOM 1307 CG GLU A 88 -11.803 3.124 14.711 1.00 0.00 C ATOM 1308 CD GLU A 88 -13.283 2.968 14.422 1.00 0.00 C ATOM 1309 OE1 GLU A 88 -13.626 2.468 13.330 1.00 0.00 O ATOM 1310 OE2 GLU A 88 -14.100 3.347 15.288 1.00 0.00 O ATOM 0 H GLU A 88 -7.871 3.825 13.509 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.296 2.622 14.723 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.890 4.123 13.053 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.457 2.505 12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.479 2.320 15.371 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.637 4.060 15.244 1.00 0.00 H new ATOM 1317 N ASP A 89 -10.435 0.308 13.689 1.00 0.00 N ATOM 1318 CA ASP A 89 -10.482 -1.109 13.346 1.00 0.00 C ATOM 1319 C ASP A 89 -11.585 -1.384 12.328 1.00 0.00 C ATOM 1320 O ASP A 89 -12.520 -0.597 12.184 1.00 0.00 O ATOM 1321 CB ASP A 89 -10.709 -1.951 14.603 1.00 0.00 C ATOM 1322 CG ASP A 89 -9.408 -2.427 15.221 1.00 0.00 C ATOM 1323 OD1 ASP A 89 -8.623 -3.093 14.513 1.00 0.00 O ATOM 1324 OD2 ASP A 89 -9.175 -2.134 16.413 1.00 0.00 O ATOM 0 H ASP A 89 -11.190 0.620 14.299 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.525 -1.384 12.902 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -11.263 -1.364 15.335 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -11.327 -2.814 14.353 1.00 0.00 H new ATOM 1329 N ALA A 90 -11.468 -2.506 11.626 1.00 0.00 N ATOM 1330 CA ALA A 90 -12.454 -2.885 10.622 1.00 0.00 C ATOM 1331 C ALA A 90 -13.531 -3.782 11.221 1.00 0.00 C ATOM 1332 O ALA A 90 -13.284 -4.999 11.347 1.00 0.00 O ATOM 1333 CB ALA A 90 -11.775 -3.582 9.453 1.00 0.00 C ATOM 1334 OXT ALA A 90 -14.614 -3.260 11.561 1.00 0.00 O ATOM 0 H ALA A 90 -10.700 -3.168 11.734 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.935 -1.976 10.260 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.523 -3.860 8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.047 -2.908 9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.267 -4.478 9.809 1.00 0.00 H new TER 1340 ALA A 90 ATOM 1341 N ARG B 115 2.184 -1.984 10.214 1.00 0.00 N ATOM 1342 CA ARG B 115 1.007 -1.865 9.313 1.00 0.00 C ATOM 1343 C ARG B 115 0.478 -0.435 9.283 1.00 0.00 C ATOM 1344 O ARG B 115 0.358 0.170 8.217 1.00 0.00 O ATOM 1345 CB ARG B 115 -0.083 -2.821 9.803 1.00 0.00 C ATOM 1346 CG ARG B 115 0.366 -4.271 9.874 1.00 0.00 C ATOM 1347 CD ARG B 115 -0.417 -5.045 10.923 1.00 0.00 C ATOM 1348 NE ARG B 115 0.423 -6.004 11.636 1.00 0.00 N ATOM 1349 CZ ARG B 115 1.255 -5.672 12.620 1.00 0.00 C ATOM 1350 NH1 ARG B 115 1.361 -4.408 13.011 1.00 0.00 N ATOM 1351 NH2 ARG B 115 1.984 -6.607 13.215 1.00 0.00 N ATOM 0 HA ARG B 115 1.307 -2.126 8.298 1.00 0.00 H new ATOM 0 HB2 ARG B 115 -0.415 -2.504 10.791 1.00 0.00 H new ATOM 0 HB3 ARG B 115 -0.944 -2.748 9.139 1.00 0.00 H new ATOM 0 HG2 ARG B 115 0.235 -4.742 8.900 1.00 0.00 H new ATOM 0 HG3 ARG B 115 1.430 -4.313 10.108 1.00 0.00 H new ATOM 0 HD2 ARG B 115 -0.856 -4.347 11.636 1.00 0.00 H new ATOM 0 HD3 ARG B 115 -1.242 -5.572 10.444 1.00 0.00 H new ATOM 0 HE ARG B 115 0.369 -6.985 11.364 1.00 0.00 H new ATOM 0 HH11 ARG B 115 0.803 -3.685 12.557 1.00 0.00 H new ATOM 0 HH12 ARG B 115 2.000 -4.160 13.766 1.00 0.00 H new ATOM 0 HH21 ARG B 115 1.907 -7.580 12.918 1.00 0.00 H new ATOM 0 HH22 ARG B 115 2.622 -6.353 13.969 1.00 0.00 H new ATOM 1367 N MET B 116 0.167 0.103 10.458 1.00 0.00 N ATOM 1368 CA MET B 116 -0.347 1.464 10.562 1.00 0.00 C ATOM 1369 C MET B 116 0.677 2.471 10.049 1.00 0.00 C ATOM 1370 O MET B 116 0.508 3.050 8.976 1.00 0.00 O ATOM 1371 CB MET B 116 -0.715 1.786 12.014 1.00 0.00 C ATOM 1372 CG MET B 116 -1.127 3.234 12.232 1.00 0.00 C ATOM 1373 SD MET B 116 -1.625 3.567 13.933 1.00 0.00 S ATOM 1374 CE MET B 116 -2.061 5.301 13.825 1.00 0.00 C ATOM 0 H MET B 116 0.262 -0.382 11.350 1.00 0.00 H new ATOM 0 HA MET B 116 -1.243 1.536 9.945 1.00 0.00 H new ATOM 0 HB2 MET B 116 -1.531 1.134 12.326 1.00 0.00 H new ATOM 0 HB3 MET B 116 0.137 1.559 12.655 1.00 0.00 H new ATOM 0 HG2 MET B 116 -0.296 3.888 11.966 1.00 0.00 H new ATOM 0 HG3 MET B 116 -1.951 3.478 11.562 1.00 0.00 H new ATOM 0 HE1 MET B 116 -2.390 5.655 14.802 1.00 0.00 H new ATOM 0 HE2 MET B 116 -1.192 5.876 13.505 1.00 0.00 H new ATOM 0 HE3 MET B 116 -2.867 5.429 13.102 1.00 0.00 H new ATOM 1384 N SER B 117 1.737 2.675 10.823 1.00 0.00 N ATOM 1385 CA SER B 117 2.787 3.614 10.447 1.00 0.00 C ATOM 1386 C SER B 117 3.724 3.004 9.414 1.00 0.00 C ATOM 1387 O SER B 117 4.930 2.895 9.637 1.00 0.00 O ATOM 1388 CB SER B 117 3.577 4.052 11.680 1.00 0.00 C ATOM 1389 OG SER B 117 3.829 2.957 12.543 1.00 0.00 O ATOM 0 H SER B 117 1.892 2.203 11.714 1.00 0.00 H new ATOM 0 HA SER B 117 2.312 4.488 10.002 1.00 0.00 H new ATOM 0 HB2 SER B 117 4.522 4.499 11.370 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.021 4.821 12.217 1.00 0.00 H new ATOM 0 HG SER B 117 4.337 3.265 13.322 1.00 0.00 H new ATOM 1395 N ALA B 118 3.164 2.626 8.270 1.00 0.00 N ATOM 1396 CA ALA B 118 3.952 2.048 7.192 1.00 0.00 C ATOM 1397 C ALA B 118 4.610 3.145 6.359 1.00 0.00 C ATOM 1398 O ALA B 118 5.315 2.862 5.390 1.00 0.00 O ATOM 1399 CB ALA B 118 3.083 1.161 6.315 1.00 0.00 C ATOM 0 H ALA B 118 2.168 2.710 8.067 1.00 0.00 H new ATOM 0 HA ALA B 118 4.738 1.434 7.632 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.688 0.737 5.514 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.661 0.356 6.917 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.276 1.754 5.885 1.00 0.00 H new ATOM 1405 N ASP B 119 4.376 4.402 6.745 1.00 0.00 N ATOM 1406 CA ASP B 119 4.944 5.546 6.041 1.00 0.00 C ATOM 1407 C ASP B 119 6.427 5.333 5.758 1.00 0.00 C ATOM 1408 O ASP B 119 6.964 5.857 4.783 1.00 0.00 O ATOM 1409 CB ASP B 119 4.750 6.821 6.864 1.00 0.00 C ATOM 1410 CG ASP B 119 5.058 8.075 6.068 1.00 0.00 C ATOM 1411 OD1 ASP B 119 4.345 8.339 5.077 1.00 0.00 O ATOM 1412 OD2 ASP B 119 6.013 8.791 6.436 1.00 0.00 O ATOM 0 H ASP B 119 3.794 4.650 7.545 1.00 0.00 H new ATOM 0 HA ASP B 119 4.424 5.649 5.089 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.722 6.865 7.223 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.394 6.784 7.743 1.00 0.00 H new ATOM 1417 N ALA B 120 7.085 4.557 6.616 1.00 0.00 N ATOM 1418 CA ALA B 120 8.507 4.272 6.452 1.00 0.00 C ATOM 1419 C ALA B 120 8.804 3.765 5.045 1.00 0.00 C ATOM 1420 O ALA B 120 9.417 4.467 4.240 1.00 0.00 O ATOM 1421 CB ALA B 120 8.970 3.264 7.492 1.00 0.00 C ATOM 0 H ALA B 120 6.657 4.116 7.430 1.00 0.00 H new ATOM 0 HA ALA B 120 9.058 5.201 6.599 1.00 0.00 H new ATOM 0 HB1 ALA B 120 10.033 3.063 7.356 1.00 0.00 H new ATOM 0 HB2 ALA B 120 8.802 3.668 8.490 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.407 2.338 7.377 1.00 0.00 H new ATOM 1427 N MET B 121 8.357 2.548 4.745 1.00 0.00 N ATOM 1428 CA MET B 121 8.571 1.967 3.423 1.00 0.00 C ATOM 1429 C MET B 121 8.036 2.907 2.351 1.00 0.00 C ATOM 1430 O MET B 121 8.581 2.991 1.250 1.00 0.00 O ATOM 1431 CB MET B 121 7.881 0.604 3.315 1.00 0.00 C ATOM 1432 CG MET B 121 7.908 0.011 1.911 1.00 0.00 C ATOM 1433 SD MET B 121 6.330 -0.720 1.432 1.00 0.00 S ATOM 1434 CE MET B 121 5.214 0.642 1.753 1.00 0.00 C ATOM 0 H MET B 121 7.848 1.949 5.395 1.00 0.00 H new ATOM 0 HA MET B 121 9.642 1.826 3.275 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.362 -0.092 4.003 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.845 0.705 3.637 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.174 0.791 1.197 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.687 -0.750 1.857 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.283 0.485 1.209 1.00 0.00 H new ATOM 0 HE2 MET B 121 5.005 0.697 2.821 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.674 1.574 1.424 1.00 0.00 H new ATOM 1444 N LEU B 122 6.967 3.618 2.689 1.00 0.00 N ATOM 1445 CA LEU B 122 6.355 4.560 1.767 1.00 0.00 C ATOM 1446 C LEU B 122 7.312 5.711 1.479 1.00 0.00 C ATOM 1447 O LEU B 122 7.360 6.227 0.365 1.00 0.00 O ATOM 1448 CB LEU B 122 5.043 5.092 2.349 1.00 0.00 C ATOM 1449 CG LEU B 122 3.822 4.188 2.147 1.00 0.00 C ATOM 1450 CD1 LEU B 122 3.886 2.977 3.068 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.537 4.968 2.387 1.00 0.00 C ATOM 0 H LEU B 122 6.507 3.558 3.597 1.00 0.00 H new ATOM 0 HA LEU B 122 6.138 4.045 0.831 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.179 5.257 3.418 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.833 6.063 1.901 1.00 0.00 H new ATOM 0 HG LEU B 122 3.828 3.834 1.116 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.009 2.350 2.907 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.787 2.403 2.852 1.00 0.00 H new ATOM 0 HD13 LEU B 122 3.908 3.310 4.106 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.680 4.311 2.239 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.529 5.351 3.407 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.481 5.801 1.686 1.00 0.00 H new ATOM 1463 N ARG B 123 8.078 6.106 2.493 1.00 0.00 N ATOM 1464 CA ARG B 123 9.041 7.193 2.346 1.00 0.00 C ATOM 1465 C ARG B 123 10.407 6.664 1.909 1.00 0.00 C ATOM 1466 O ARG B 123 11.319 7.441 1.622 1.00 0.00 O ATOM 1467 CB ARG B 123 9.176 7.961 3.663 1.00 0.00 C ATOM 1468 CG ARG B 123 10.137 9.136 3.584 1.00 0.00 C ATOM 1469 CD ARG B 123 11.459 8.825 4.269 1.00 0.00 C ATOM 1470 NE ARG B 123 12.592 9.429 3.573 1.00 0.00 N ATOM 1471 CZ ARG B 123 13.823 9.490 4.075 1.00 0.00 C ATOM 1472 NH1 ARG B 123 14.082 8.988 5.278 1.00 0.00 N ATOM 1473 NH2 ARG B 123 14.797 10.055 3.376 1.00 0.00 N ATOM 0 H ARG B 123 8.050 5.690 3.424 1.00 0.00 H new ATOM 0 HA ARG B 123 8.672 7.867 1.573 1.00 0.00 H new ATOM 0 HB2 ARG B 123 8.194 8.325 3.965 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.515 7.276 4.441 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.318 9.389 2.539 1.00 0.00 H new ATOM 0 HG3 ARG B 123 9.682 10.011 4.049 1.00 0.00 H new ATOM 0 HD2 ARG B 123 11.429 9.188 5.296 1.00 0.00 H new ATOM 0 HD3 ARG B 123 11.597 7.745 4.317 1.00 0.00 H new ATOM 0 HE ARG B 123 12.430 9.827 2.648 1.00 0.00 H new ATOM 0 HH11 ARG B 123 13.336 8.554 5.821 1.00 0.00 H new ATOM 0 HH12 ARG B 123 15.027 9.037 5.658 1.00 0.00 H new ATOM 0 HH21 ARG B 123 14.603 10.443 2.453 1.00 0.00 H new ATOM 0 HH22 ARG B 123 15.740 10.102 3.761 1.00 0.00 H new ATOM 1487 N ALA B 124 10.547 5.340 1.867 1.00 0.00 N ATOM 1488 CA ALA B 124 11.803 4.712 1.474 1.00 0.00 C ATOM 1489 C ALA B 124 12.233 5.140 0.075 1.00 0.00 C ATOM 1490 O ALA B 124 13.199 5.884 -0.089 1.00 0.00 O ATOM 1491 CB ALA B 124 11.674 3.198 1.541 1.00 0.00 C ATOM 0 H ALA B 124 9.803 4.682 2.101 1.00 0.00 H new ATOM 0 HA ALA B 124 12.572 5.041 2.173 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.617 2.739 1.246 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.428 2.899 2.560 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.884 2.870 0.866 1.00 0.00 H new ATOM 1497 N LEU B 125 11.515 4.650 -0.929 1.00 0.00 N ATOM 1498 CA LEU B 125 11.825 4.965 -2.318 1.00 0.00 C ATOM 1499 C LEU B 125 11.310 6.351 -2.705 1.00 0.00 C ATOM 1500 O LEU B 125 11.766 6.935 -3.687 1.00 0.00 O ATOM 1501 CB LEU B 125 11.228 3.898 -3.235 1.00 0.00 C ATOM 1502 CG LEU B 125 11.578 2.461 -2.847 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.530 1.496 -3.370 1.00 0.00 C ATOM 1504 CD2 LEU B 125 12.959 2.088 -3.364 1.00 0.00 C ATOM 0 H LEU B 125 10.713 4.032 -0.806 1.00 0.00 H new ATOM 0 HA LEU B 125 12.909 4.974 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.143 4.006 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.570 4.080 -4.254 1.00 0.00 H new ATOM 0 HG LEU B 125 11.591 2.393 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.797 0.479 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.558 1.749 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.481 1.566 -4.457 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.190 1.062 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU B 125 12.976 2.174 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.702 2.760 -2.935 1.00 0.00 H new ATOM 1516 N LEU B 126 10.365 6.872 -1.924 1.00 0.00 N ATOM 1517 CA LEU B 126 9.792 8.192 -2.182 1.00 0.00 C ATOM 1518 C LEU B 126 9.020 8.213 -3.499 1.00 0.00 C ATOM 1519 O LEU B 126 7.791 8.276 -3.507 1.00 0.00 O ATOM 1520 CB LEU B 126 10.891 9.258 -2.203 1.00 0.00 C ATOM 1521 CG LEU B 126 11.676 9.402 -0.897 1.00 0.00 C ATOM 1522 CD1 LEU B 126 12.979 10.149 -1.137 1.00 0.00 C ATOM 1523 CD2 LEU B 126 10.836 10.114 0.152 1.00 0.00 C ATOM 0 H LEU B 126 9.980 6.399 -1.106 1.00 0.00 H new ATOM 0 HA LEU B 126 9.095 8.415 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU B 126 11.590 9.022 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU B 126 10.439 10.220 -2.446 1.00 0.00 H new ATOM 0 HG LEU B 126 11.916 8.405 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU B 126 13.524 10.242 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU B 126 13.587 9.599 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU B 126 12.762 11.142 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU B 126 11.409 10.208 1.074 1.00 0.00 H new ATOM 0 HD22 LEU B 126 10.566 11.106 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU B 126 9.930 9.539 0.345 1.00 0.00 H new ATOM 1535 N GLY B 127 9.748 8.164 -4.610 1.00 0.00 N ATOM 1536 CA GLY B 127 9.114 8.181 -5.914 1.00 0.00 C ATOM 1537 C GLY B 127 9.745 9.189 -6.853 1.00 0.00 C ATOM 1538 O GLY B 127 10.894 9.029 -7.266 1.00 0.00 O ATOM 0 H GLY B 127 10.767 8.113 -4.630 1.00 0.00 H new ATOM 0 HA2 GLY B 127 9.176 7.187 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY B 127 8.055 8.412 -5.797 1.00 0.00 H new ATOM 1542 N SER B 128 8.994 10.232 -7.191 1.00 0.00 N ATOM 1543 CA SER B 128 9.487 11.272 -8.086 1.00 0.00 C ATOM 1544 C SER B 128 8.951 12.640 -7.680 1.00 0.00 C ATOM 1545 O SER B 128 7.808 12.984 -7.978 1.00 0.00 O ATOM 1546 CB SER B 128 9.087 10.963 -9.530 1.00 0.00 C ATOM 1547 OG SER B 128 9.761 9.813 -10.012 1.00 0.00 O ATOM 0 H SER B 128 8.041 10.379 -6.858 1.00 0.00 H new ATOM 0 HA SER B 128 10.574 11.292 -8.013 1.00 0.00 H new ATOM 0 HB2 SER B 128 8.010 10.807 -9.587 1.00 0.00 H new ATOM 0 HB3 SER B 128 9.319 11.817 -10.166 1.00 0.00 H new ATOM 0 HG SER B 128 9.487 9.636 -10.936 1.00 0.00 H new ATOM 1553 N LYS B 129 9.785 13.418 -6.997 1.00 0.00 N ATOM 1554 CA LYS B 129 9.396 14.750 -6.549 1.00 0.00 C ATOM 1555 C LYS B 129 10.550 15.736 -6.710 1.00 0.00 C ATOM 1556 O LYS B 129 10.671 16.694 -5.946 1.00 0.00 O ATOM 1557 CB LYS B 129 8.939 14.706 -5.089 1.00 0.00 C ATOM 1558 CG LYS B 129 7.439 14.884 -4.916 1.00 0.00 C ATOM 1559 CD LYS B 129 6.974 14.399 -3.552 1.00 0.00 C ATOM 1560 CE LYS B 129 6.827 15.550 -2.570 1.00 0.00 C ATOM 1561 NZ LYS B 129 5.398 15.859 -2.285 1.00 0.00 N ATOM 0 H LYS B 129 10.735 13.148 -6.742 1.00 0.00 H new ATOM 0 HA LYS B 129 8.566 15.089 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS B 129 9.236 13.752 -4.652 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.456 15.487 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS B 129 7.180 15.936 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS B 129 6.914 14.334 -5.697 1.00 0.00 H new ATOM 0 HD2 LYS B 129 6.019 13.883 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS B 129 7.688 13.674 -3.160 1.00 0.00 H new ATOM 0 HE2 LYS B 129 7.337 15.300 -1.639 1.00 0.00 H new ATOM 0 HE3 LYS B 129 7.316 16.436 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 5.341 16.649 -1.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 4.917 16.122 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 4.937 15.022 -1.876 1.00 0.00 H new ATOM 1575 N HIS B 130 11.394 15.494 -7.708 1.00 0.00 N ATOM 1576 CA HIS B 130 12.537 16.360 -7.969 1.00 0.00 C ATOM 1577 C HIS B 130 12.149 17.510 -8.893 1.00 0.00 C ATOM 1578 O HIS B 130 12.015 17.329 -10.103 1.00 0.00 O ATOM 1579 CB HIS B 130 13.682 15.556 -8.588 1.00 0.00 C ATOM 1580 CG HIS B 130 14.577 14.911 -7.576 1.00 0.00 C ATOM 1581 ND1 HIS B 130 14.985 15.543 -6.421 1.00 0.00 N ATOM 1582 CD2 HIS B 130 15.144 13.682 -7.551 1.00 0.00 C ATOM 1583 CE1 HIS B 130 15.765 14.731 -5.729 1.00 0.00 C ATOM 1584 NE2 HIS B 130 15.876 13.595 -6.393 1.00 0.00 N ATOM 0 H HIS B 130 11.307 14.705 -8.349 1.00 0.00 H new ATOM 0 HA HIS B 130 12.869 16.778 -7.019 1.00 0.00 H new ATOM 0 HB2 HIS B 130 13.265 14.785 -9.236 1.00 0.00 H new ATOM 0 HB3 HIS B 130 14.278 16.215 -9.220 1.00 0.00 H new ATOM 0 HD2 HIS B 130 15.040 12.913 -8.302 1.00 0.00 H new ATOM 0 HE1 HIS B 130 16.232 14.958 -4.782 1.00 0.00 H new ATOM 0 HE2 HIS B 130 16.418 12.784 -6.094 1.00 0.00 H new ATOM 1593 N LYS B 131 11.971 18.694 -8.315 1.00 0.00 N ATOM 1594 CA LYS B 131 11.598 19.873 -9.087 1.00 0.00 C ATOM 1595 C LYS B 131 12.831 20.685 -9.469 1.00 0.00 C ATOM 1596 O LYS B 131 12.950 21.056 -10.656 1.00 0.00 O ATOM 1597 CB LYS B 131 10.627 20.745 -8.289 1.00 0.00 C ATOM 1598 CG LYS B 131 9.173 20.328 -8.437 1.00 0.00 C ATOM 1599 CD LYS B 131 8.886 19.032 -7.693 1.00 0.00 C ATOM 1600 CE LYS B 131 7.588 19.117 -6.905 1.00 0.00 C ATOM 1601 NZ LYS B 131 6.814 17.846 -6.973 1.00 0.00 N ATOM 1602 OXT LYS B 131 13.669 20.943 -8.579 1.00 0.00 O ATOM 0 H LYS B 131 12.079 18.862 -7.315 1.00 0.00 H new ATOM 0 HA LYS B 131 11.108 19.538 -10.001 1.00 0.00 H new ATOM 0 HB2 LYS B 131 10.901 20.709 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS B 131 10.734 21.781 -8.610 1.00 0.00 H new ATOM 0 HG2 LYS B 131 8.526 21.118 -8.056 1.00 0.00 H new ATOM 0 HG3 LYS B 131 8.935 20.203 -9.493 1.00 0.00 H new ATOM 0 HD2 LYS B 131 8.828 18.208 -8.404 1.00 0.00 H new ATOM 0 HD3 LYS B 131 9.710 18.810 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS B 131 7.810 19.352 -5.864 1.00 0.00 H new ATOM 0 HE3 LYS B 131 6.980 19.934 -7.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 6.114 17.824 -6.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 6.325 17.786 -7.889 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 7.462 17.039 -6.874 1.00 0.00 H new TER 1616 LYS B 131 HETATM 1617 CA CA A 132 -8.847 -6.295 -4.462 1.00 0.00 CA HETATM 1618 CA CA A 133 2.347 -6.469 -10.550 1.00 0.00 CA