USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 647 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 17 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 20 THR OG1 : rot -105:sc= 1.26 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.16 (180deg=0.686) USER MOD Single : A 4 SER OG : rot 50:sc= 0.139 USER MOD Single : A 9 TYR OH : rot 1:sc= 0.891 USER MOD Single : A 11 CYS SG : rot -101:sc= 0.851 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0.25) USER MOD Single : A 30 SER OG : rot 54:sc= 1.25 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0434 K(o=-0.043,f=-0.8) USER MOD Single : A 46 THR OG1 : rot -62:sc= 1.8 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -124:sc= 1.29 USER MOD Single : A 58 SER OG : rot -102:sc= 1.29 USER MOD Single : A 59 ASN : amide:sc= -0.0531 X(o=-0.053,f=-0.053) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.8 K(o=0.8,f=0) USER MOD Single : A 70 MET CE :methyl 173:sc= 0 (180deg=-0.0541) USER MOD Single : A 71 ASN : amide:sc= -0.0321 K(o=-0.032,f=-0.89) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 87 SER OG : rot 93:sc= 1.24 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.279 8.146 -10.572 1.00 0.00 N ATOM 2 CA MET A 1 13.864 7.436 -11.795 1.00 0.00 C ATOM 3 C MET A 1 12.423 6.968 -11.660 1.00 0.00 C ATOM 4 O MET A 1 12.158 5.906 -11.092 1.00 0.00 O ATOM 5 CB MET A 1 14.786 6.258 -12.156 1.00 0.00 C ATOM 6 CG MET A 1 16.168 6.698 -12.652 1.00 0.00 C ATOM 7 SD MET A 1 17.248 7.461 -11.414 1.00 0.00 S ATOM 8 CE MET A 1 18.621 7.941 -12.495 1.00 0.00 C ATOM 0 H1 MET A 1 15.315 8.120 -10.490 1.00 0.00 H new ATOM 0 H2 MET A 1 13.960 9.135 -10.619 1.00 0.00 H new ATOM 0 H3 MET A 1 13.855 7.685 -9.742 1.00 0.00 H new ATOM 0 HA MET A 1 13.944 8.147 -12.617 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.908 5.620 -11.281 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.307 5.654 -12.926 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.679 5.828 -13.064 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.031 7.404 -13.471 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.394 8.433 -11.905 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.037 7.053 -12.971 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.259 8.627 -13.261 1.00 0.00 H new ATOM 20 N ALA A 2 11.491 7.761 -12.189 1.00 0.00 N ATOM 21 CA ALA A 2 10.087 7.399 -12.329 1.00 0.00 C ATOM 22 C ALA A 2 9.927 6.457 -13.535 1.00 0.00 C ATOM 23 O ALA A 2 9.838 6.890 -14.687 1.00 0.00 O ATOM 24 CB ALA A 2 9.260 8.684 -12.448 1.00 0.00 C ATOM 0 H ALA A 2 11.700 8.696 -12.540 1.00 0.00 H new ATOM 0 HA ALA A 2 9.722 6.858 -11.456 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.205 8.429 -12.554 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.399 9.290 -11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.587 9.247 -13.322 1.00 0.00 H new ATOM 30 N GLU A 3 9.966 5.157 -13.252 1.00 0.00 N ATOM 31 CA GLU A 3 9.868 4.050 -14.205 1.00 0.00 C ATOM 32 C GLU A 3 8.479 3.412 -14.150 1.00 0.00 C ATOM 33 O GLU A 3 8.145 2.687 -13.213 1.00 0.00 O ATOM 34 CB GLU A 3 10.939 2.984 -13.907 1.00 0.00 C ATOM 35 CG GLU A 3 12.351 3.398 -14.330 1.00 0.00 C ATOM 36 CD GLU A 3 12.453 3.639 -15.839 1.00 0.00 C ATOM 37 OE1 GLU A 3 12.050 2.752 -16.634 1.00 0.00 O ATOM 38 OE2 GLU A 3 12.929 4.729 -16.235 1.00 0.00 O ATOM 0 H GLU A 3 10.073 4.826 -12.293 1.00 0.00 H new ATOM 0 HA GLU A 3 10.034 4.451 -15.205 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.937 2.768 -12.839 1.00 0.00 H new ATOM 0 HB3 GLU A 3 10.672 2.060 -14.419 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.637 4.306 -13.798 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.059 2.622 -14.039 1.00 0.00 H new ATOM 45 N SER A 4 7.650 3.714 -15.144 1.00 0.00 N ATOM 46 CA SER A 4 6.641 2.774 -15.652 1.00 0.00 C ATOM 47 C SER A 4 6.497 2.812 -17.185 1.00 0.00 C ATOM 48 O SER A 4 5.494 3.337 -17.684 1.00 0.00 O ATOM 49 CB SER A 4 5.306 2.986 -14.926 1.00 0.00 C ATOM 50 OG SER A 4 4.874 4.332 -15.047 1.00 0.00 O ATOM 0 H SER A 4 7.654 4.614 -15.623 1.00 0.00 H new ATOM 0 HA SER A 4 6.989 1.765 -15.430 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.551 2.318 -15.342 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.415 2.728 -13.873 1.00 0.00 H new ATOM 0 HG SER A 4 4.907 4.603 -15.988 1.00 0.00 H new ATOM 56 N ASP A 5 7.449 2.271 -17.955 1.00 0.00 N ATOM 57 CA ASP A 5 7.257 2.034 -19.400 1.00 0.00 C ATOM 58 C ASP A 5 6.972 0.551 -19.666 1.00 0.00 C ATOM 59 O ASP A 5 5.824 0.178 -19.921 1.00 0.00 O ATOM 60 CB ASP A 5 8.446 2.541 -20.237 1.00 0.00 C ATOM 61 CG ASP A 5 8.517 4.065 -20.333 1.00 0.00 C ATOM 62 OD1 ASP A 5 7.894 4.659 -21.245 1.00 0.00 O ATOM 63 OD2 ASP A 5 9.225 4.682 -19.507 1.00 0.00 O ATOM 0 H ASP A 5 8.364 1.987 -17.605 1.00 0.00 H new ATOM 0 HA ASP A 5 6.389 2.612 -19.717 1.00 0.00 H new ATOM 0 HB2 ASP A 5 9.373 2.169 -19.800 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.377 2.124 -21.242 1.00 0.00 H new ATOM 68 N GLY A 6 7.999 -0.297 -19.554 1.00 0.00 N ATOM 69 CA GLY A 6 7.888 -1.759 -19.638 1.00 0.00 C ATOM 70 C GLY A 6 7.958 -2.463 -18.278 1.00 0.00 C ATOM 71 O GLY A 6 7.519 -3.608 -18.154 1.00 0.00 O ATOM 0 H GLY A 6 8.956 0.021 -19.398 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.945 -2.015 -20.122 1.00 0.00 H new ATOM 0 HA3 GLY A 6 8.687 -2.139 -20.275 1.00 0.00 H new ATOM 75 N ALA A 7 8.494 -1.786 -17.260 1.00 0.00 N ATOM 76 CA ALA A 7 8.718 -2.309 -15.912 1.00 0.00 C ATOM 77 C ALA A 7 8.541 -1.208 -14.852 1.00 0.00 C ATOM 78 O ALA A 7 8.921 -0.057 -15.084 1.00 0.00 O ATOM 79 CB ALA A 7 10.127 -2.915 -15.850 1.00 0.00 C ATOM 0 H ALA A 7 8.796 -0.817 -17.358 1.00 0.00 H new ATOM 0 HA ALA A 7 7.979 -3.080 -15.694 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.310 -3.310 -14.851 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.209 -3.721 -16.579 1.00 0.00 H new ATOM 0 HB3 ALA A 7 10.865 -2.145 -16.076 1.00 0.00 H new ATOM 85 N GLU A 8 7.962 -1.565 -13.703 1.00 0.00 N ATOM 86 CA GLU A 8 7.683 -0.650 -12.584 1.00 0.00 C ATOM 87 C GLU A 8 7.925 -1.299 -11.207 1.00 0.00 C ATOM 88 O GLU A 8 7.862 -2.523 -11.069 1.00 0.00 O ATOM 89 CB GLU A 8 6.263 -0.071 -12.731 1.00 0.00 C ATOM 90 CG GLU A 8 5.102 -1.070 -12.701 1.00 0.00 C ATOM 91 CD GLU A 8 3.798 -0.330 -13.018 1.00 0.00 C ATOM 92 OE1 GLU A 8 3.483 -0.138 -14.217 1.00 0.00 O ATOM 93 OE2 GLU A 8 3.071 0.075 -12.084 1.00 0.00 O ATOM 0 H GLU A 8 7.665 -2.523 -13.516 1.00 0.00 H new ATOM 0 HA GLU A 8 8.394 0.175 -12.631 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.108 0.654 -11.932 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.215 0.477 -13.672 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.270 -1.864 -13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.038 -1.543 -11.721 1.00 0.00 H new ATOM 100 N TYR A 9 8.167 -0.489 -10.172 1.00 0.00 N ATOM 101 CA TYR A 9 8.234 -0.912 -8.765 1.00 0.00 C ATOM 102 C TYR A 9 7.035 -0.332 -7.991 1.00 0.00 C ATOM 103 O TYR A 9 7.131 0.667 -7.274 1.00 0.00 O ATOM 104 CB TYR A 9 9.626 -0.637 -8.139 1.00 0.00 C ATOM 105 CG TYR A 9 10.528 0.419 -8.775 1.00 0.00 C ATOM 106 CD1 TYR A 9 10.085 1.743 -8.949 1.00 0.00 C ATOM 107 CD2 TYR A 9 11.833 0.074 -9.179 1.00 0.00 C ATOM 108 CE1 TYR A 9 10.911 2.704 -9.568 1.00 0.00 C ATOM 109 CE2 TYR A 9 12.669 1.030 -9.790 1.00 0.00 C ATOM 110 CZ TYR A 9 12.204 2.345 -10.007 1.00 0.00 C ATOM 111 OH TYR A 9 12.999 3.245 -10.651 1.00 0.00 O ATOM 0 H TYR A 9 8.327 0.511 -10.291 1.00 0.00 H new ATOM 0 HA TYR A 9 8.139 -1.996 -8.700 1.00 0.00 H new ATOM 0 HB2 TYR A 9 9.469 -0.352 -7.099 1.00 0.00 H new ATOM 0 HB3 TYR A 9 10.176 -1.578 -8.132 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.101 2.027 -8.605 1.00 0.00 H new ATOM 0 HD2 TYR A 9 12.195 -0.931 -9.019 1.00 0.00 H new ATOM 0 HE1 TYR A 9 10.555 3.714 -9.706 1.00 0.00 H new ATOM 0 HE2 TYR A 9 13.669 0.756 -10.093 1.00 0.00 H new ATOM 0 HH TYR A 9 12.531 4.103 -10.722 1.00 0.00 H new ATOM 121 N ARG A 10 5.878 -0.992 -8.148 1.00 0.00 N ATOM 122 CA ARG A 10 4.563 -0.617 -7.593 1.00 0.00 C ATOM 123 C ARG A 10 3.782 -1.862 -7.161 1.00 0.00 C ATOM 124 O ARG A 10 3.873 -2.904 -7.817 1.00 0.00 O ATOM 125 CB ARG A 10 3.804 0.199 -8.660 1.00 0.00 C ATOM 126 CG ARG A 10 2.411 0.697 -8.230 1.00 0.00 C ATOM 127 CD ARG A 10 1.700 1.525 -9.312 1.00 0.00 C ATOM 128 NE ARG A 10 2.240 2.893 -9.424 1.00 0.00 N ATOM 129 CZ ARG A 10 3.177 3.335 -10.243 1.00 0.00 C ATOM 130 NH1 ARG A 10 3.760 2.602 -11.141 1.00 0.00 N ATOM 131 NH2 ARG A 10 3.587 4.564 -10.173 1.00 0.00 N ATOM 0 H ARG A 10 5.829 -1.851 -8.696 1.00 0.00 H new ATOM 0 HA ARG A 10 4.689 -0.005 -6.700 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.412 1.060 -8.937 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.694 -0.414 -9.554 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.790 -0.161 -7.972 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.511 1.301 -7.328 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.797 1.020 -10.273 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.635 1.576 -9.085 1.00 0.00 H new ATOM 0 HE ARG A 10 1.840 3.584 -8.790 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.501 1.621 -11.245 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.477 3.007 -11.743 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.185 5.197 -9.481 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.311 4.897 -10.809 1.00 0.00 H new ATOM 145 N CYS A 11 2.991 -1.755 -6.094 1.00 0.00 N ATOM 146 CA CYS A 11 2.141 -2.843 -5.601 1.00 0.00 C ATOM 147 C CYS A 11 0.791 -2.361 -5.037 1.00 0.00 C ATOM 148 O CYS A 11 0.675 -1.259 -4.494 1.00 0.00 O ATOM 149 CB CYS A 11 2.921 -3.674 -4.565 1.00 0.00 C ATOM 150 SG CYS A 11 3.342 -2.688 -3.107 1.00 0.00 S ATOM 0 H CYS A 11 2.920 -0.902 -5.540 1.00 0.00 H new ATOM 0 HA CYS A 11 1.886 -3.470 -6.455 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.324 -4.535 -4.264 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.833 -4.061 -5.019 1.00 0.00 H new ATOM 0 HG CYS A 11 4.583 -2.307 -3.184 1.00 0.00 H new ATOM 156 N PHE A 12 -0.222 -3.221 -5.139 1.00 0.00 N ATOM 157 CA PHE A 12 -1.484 -3.116 -4.397 1.00 0.00 C ATOM 158 C PHE A 12 -1.284 -3.492 -2.916 1.00 0.00 C ATOM 159 O PHE A 12 -0.508 -4.398 -2.598 1.00 0.00 O ATOM 160 CB PHE A 12 -2.505 -4.020 -5.099 1.00 0.00 C ATOM 161 CG PHE A 12 -3.961 -3.910 -4.688 1.00 0.00 C ATOM 162 CD1 PHE A 12 -4.644 -2.686 -4.813 1.00 0.00 C ATOM 163 CD2 PHE A 12 -4.677 -5.071 -4.332 1.00 0.00 C ATOM 164 CE1 PHE A 12 -6.030 -2.619 -4.584 1.00 0.00 C ATOM 165 CE2 PHE A 12 -6.064 -5.007 -4.113 1.00 0.00 C ATOM 166 CZ PHE A 12 -6.741 -3.782 -4.244 1.00 0.00 C ATOM 0 H PHE A 12 -0.189 -4.033 -5.756 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.851 -2.090 -4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.445 -3.822 -6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.194 -5.054 -4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.101 -1.793 -5.086 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.158 -6.012 -4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.547 -1.675 -4.669 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.610 -5.899 -3.844 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.808 -3.735 -4.083 1.00 0.00 H new ATOM 176 N VAL A 13 -1.965 -2.771 -2.020 1.00 0.00 N ATOM 177 CA VAL A 13 -1.844 -2.854 -0.551 1.00 0.00 C ATOM 178 C VAL A 13 -3.201 -2.688 0.131 1.00 0.00 C ATOM 179 O VAL A 13 -4.019 -1.885 -0.314 1.00 0.00 O ATOM 180 CB VAL A 13 -0.883 -1.786 0.027 1.00 0.00 C ATOM 181 CG1 VAL A 13 0.548 -2.311 0.094 1.00 0.00 C ATOM 182 CG2 VAL A 13 -0.890 -0.444 -0.720 1.00 0.00 C ATOM 0 H VAL A 13 -2.653 -2.076 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.438 -3.845 -0.348 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.267 -1.590 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.200 -1.539 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.583 -3.193 0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.885 -2.577 -0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.188 0.241 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.596 -0.603 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.892 -0.015 -0.689 1.00 0.00 H new ATOM 192 N GLY A 14 -3.439 -3.370 1.254 1.00 0.00 N ATOM 193 CA GLY A 14 -4.629 -3.096 2.068 1.00 0.00 C ATOM 194 C GLY A 14 -4.596 -3.635 3.494 1.00 0.00 C ATOM 195 O GLY A 14 -4.399 -4.831 3.716 1.00 0.00 O ATOM 0 H GLY A 14 -2.834 -4.106 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.776 -2.017 2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.498 -3.516 1.561 1.00 0.00 H new ATOM 199 N SER A 15 -4.800 -2.725 4.448 1.00 0.00 N ATOM 200 CA SER A 15 -4.936 -2.961 5.899 1.00 0.00 C ATOM 201 C SER A 15 -5.586 -1.760 6.609 1.00 0.00 C ATOM 202 O SER A 15 -5.315 -1.483 7.777 1.00 0.00 O ATOM 203 CB SER A 15 -3.569 -3.242 6.527 1.00 0.00 C ATOM 204 OG SER A 15 -2.733 -2.106 6.478 1.00 0.00 O ATOM 0 H SER A 15 -4.881 -1.734 4.219 1.00 0.00 H new ATOM 0 HA SER A 15 -5.582 -3.829 6.027 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.701 -3.553 7.563 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.090 -4.070 6.004 1.00 0.00 H new ATOM 0 HG SER A 15 -1.869 -2.318 6.888 1.00 0.00 H new ATOM 210 N LEU A 16 -6.355 -0.962 5.868 1.00 0.00 N ATOM 211 CA LEU A 16 -6.816 0.360 6.304 1.00 0.00 C ATOM 212 C LEU A 16 -8.226 0.302 6.917 1.00 0.00 C ATOM 213 O LEU A 16 -8.963 -0.684 6.805 1.00 0.00 O ATOM 214 CB LEU A 16 -6.714 1.395 5.155 1.00 0.00 C ATOM 215 CG LEU A 16 -5.469 1.336 4.255 1.00 0.00 C ATOM 216 CD1 LEU A 16 -5.577 2.464 3.236 1.00 0.00 C ATOM 217 CD2 LEU A 16 -4.153 1.486 5.010 1.00 0.00 C ATOM 0 H LEU A 16 -6.681 -1.217 4.936 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.150 0.697 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.593 1.281 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.765 2.391 5.594 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.449 0.350 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.705 2.448 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.480 2.331 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.622 3.421 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.322 1.434 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.135 2.448 5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.060 0.684 5.742 1.00 0.00 H new ATOM 229 N SER A 17 -8.592 1.419 7.534 1.00 0.00 N ATOM 230 CA SER A 17 -9.908 1.748 8.105 1.00 0.00 C ATOM 231 C SER A 17 -10.270 3.190 7.732 1.00 0.00 C ATOM 232 O SER A 17 -9.448 3.885 7.132 1.00 0.00 O ATOM 233 CB SER A 17 -9.884 1.583 9.633 1.00 0.00 C ATOM 234 OG SER A 17 -8.958 2.475 10.232 1.00 0.00 O ATOM 0 H SER A 17 -7.929 2.184 7.662 1.00 0.00 H new ATOM 0 HA SER A 17 -10.658 1.069 7.701 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.880 1.764 10.036 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.620 0.556 9.886 1.00 0.00 H new ATOM 0 HG SER A 17 -8.965 2.349 11.204 1.00 0.00 H new ATOM 240 N TRP A 18 -11.455 3.689 8.095 1.00 0.00 N ATOM 241 CA TRP A 18 -11.799 5.123 7.991 1.00 0.00 C ATOM 242 C TRP A 18 -10.763 6.089 8.624 1.00 0.00 C ATOM 243 O TRP A 18 -10.714 7.272 8.263 1.00 0.00 O ATOM 244 CB TRP A 18 -13.187 5.345 8.618 1.00 0.00 C ATOM 245 CG TRP A 18 -13.305 5.064 10.091 1.00 0.00 C ATOM 246 CD1 TRP A 18 -13.779 3.923 10.640 1.00 0.00 C ATOM 247 CD2 TRP A 18 -12.975 5.927 11.226 1.00 0.00 C ATOM 248 NE1 TRP A 18 -13.720 4.000 12.017 1.00 0.00 N ATOM 249 CE2 TRP A 18 -13.248 5.222 12.436 1.00 0.00 C ATOM 250 CE3 TRP A 18 -12.481 7.241 11.357 1.00 0.00 C ATOM 251 CZ2 TRP A 18 -13.038 5.786 13.703 1.00 0.00 C ATOM 252 CZ3 TRP A 18 -12.261 7.821 12.622 1.00 0.00 C ATOM 253 CH2 TRP A 18 -12.539 7.097 13.794 1.00 0.00 C ATOM 0 H TRP A 18 -12.209 3.114 8.471 1.00 0.00 H new ATOM 0 HA TRP A 18 -11.797 5.367 6.929 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -13.480 6.380 8.443 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -13.905 4.717 8.091 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -14.150 3.075 10.083 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.993 3.244 12.646 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -12.266 7.816 10.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.257 5.221 14.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -11.876 8.828 12.691 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.370 7.546 14.761 1.00 0.00 H new ATOM 264 N ASN A 19 -9.923 5.611 9.554 1.00 0.00 N ATOM 265 CA ASN A 19 -8.919 6.415 10.258 1.00 0.00 C ATOM 266 C ASN A 19 -7.520 6.390 9.595 1.00 0.00 C ATOM 267 O ASN A 19 -6.816 7.405 9.625 1.00 0.00 O ATOM 268 CB ASN A 19 -8.901 5.959 11.726 1.00 0.00 C ATOM 269 CG ASN A 19 -8.221 6.977 12.623 1.00 0.00 C ATOM 270 OD1 ASN A 19 -8.809 7.964 13.033 1.00 0.00 O ATOM 271 ND2 ASN A 19 -6.963 6.790 12.934 1.00 0.00 N ATOM 0 H ASN A 19 -9.925 4.633 9.842 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.201 7.466 10.201 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.923 5.797 12.069 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.383 5.003 11.803 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.476 7.469 13.519 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.470 5.965 12.592 1.00 0.00 H new ATOM 278 N THR A 20 -7.120 5.285 8.955 1.00 0.00 N ATOM 279 CA THR A 20 -5.860 5.193 8.181 1.00 0.00 C ATOM 280 C THR A 20 -6.000 5.813 6.789 1.00 0.00 C ATOM 281 O THR A 20 -7.084 5.800 6.203 1.00 0.00 O ATOM 282 CB THR A 20 -5.368 3.746 7.972 1.00 0.00 C ATOM 283 OG1 THR A 20 -5.973 2.811 8.834 1.00 0.00 O ATOM 284 CG2 THR A 20 -3.851 3.611 8.104 1.00 0.00 C ATOM 0 H THR A 20 -7.660 4.419 8.955 1.00 0.00 H new ATOM 0 HA THR A 20 -5.137 5.739 8.787 1.00 0.00 H new ATOM 0 HB THR A 20 -5.667 3.518 6.949 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.337 2.551 9.533 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.563 2.571 7.947 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.364 4.239 7.358 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.543 3.926 9.101 1.00 0.00 H new ATOM 292 N ASP A 21 -4.901 6.298 6.206 1.00 0.00 N ATOM 293 CA ASP A 21 -4.873 6.706 4.794 1.00 0.00 C ATOM 294 C ASP A 21 -3.484 6.534 4.124 1.00 0.00 C ATOM 295 O ASP A 21 -2.645 5.783 4.627 1.00 0.00 O ATOM 296 CB ASP A 21 -5.420 8.146 4.693 1.00 0.00 C ATOM 297 CG ASP A 21 -4.565 9.149 5.469 1.00 0.00 C ATOM 298 OD1 ASP A 21 -3.419 9.411 5.052 1.00 0.00 O ATOM 299 OD2 ASP A 21 -5.032 9.711 6.489 1.00 0.00 O ATOM 0 H ASP A 21 -4.012 6.419 6.691 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.516 6.035 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.463 8.443 3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.441 8.172 5.074 1.00 0.00 H new ATOM 304 N ASP A 22 -3.227 7.218 2.994 1.00 0.00 N ATOM 305 CA ASP A 22 -1.924 7.225 2.301 1.00 0.00 C ATOM 306 C ASP A 22 -0.729 7.504 3.225 1.00 0.00 C ATOM 307 O ASP A 22 0.342 6.947 2.997 1.00 0.00 O ATOM 308 CB ASP A 22 -1.887 8.241 1.138 1.00 0.00 C ATOM 309 CG ASP A 22 -2.430 9.633 1.484 1.00 0.00 C ATOM 310 OD1 ASP A 22 -3.638 9.875 1.275 1.00 0.00 O ATOM 311 OD2 ASP A 22 -1.643 10.525 1.889 1.00 0.00 O ATOM 0 H ASP A 22 -3.930 7.791 2.528 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.826 6.211 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.857 8.343 0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.462 7.839 0.304 1.00 0.00 H new ATOM 316 N ARG A 23 -0.892 8.302 4.288 1.00 0.00 N ATOM 317 CA ARG A 23 0.182 8.592 5.253 1.00 0.00 C ATOM 318 C ARG A 23 0.641 7.335 6.002 1.00 0.00 C ATOM 319 O ARG A 23 1.843 7.179 6.238 1.00 0.00 O ATOM 320 CB ARG A 23 -0.278 9.727 6.194 1.00 0.00 C ATOM 321 CG ARG A 23 0.888 10.546 6.768 1.00 0.00 C ATOM 322 CD ARG A 23 1.573 9.947 8.003 1.00 0.00 C ATOM 323 NE ARG A 23 2.947 10.458 8.128 1.00 0.00 N ATOM 324 CZ ARG A 23 4.024 9.996 7.523 1.00 0.00 C ATOM 325 NH1 ARG A 23 4.039 8.915 6.806 1.00 0.00 N ATOM 326 NH2 ARG A 23 5.147 10.634 7.607 1.00 0.00 N ATOM 0 H ARG A 23 -1.773 8.767 4.506 1.00 0.00 H new ATOM 0 HA ARG A 23 1.066 8.934 4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.948 10.393 5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.852 9.299 7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.637 10.676 5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.519 11.539 7.025 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.003 10.195 8.899 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.588 8.860 7.926 1.00 0.00 H new ATOM 0 HE ARG A 23 3.081 11.256 8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.185 8.371 6.686 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.905 8.609 6.363 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.203 11.500 8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.976 10.271 7.137 1.00 0.00 H new ATOM 340 N GLY A 24 -0.276 6.415 6.305 1.00 0.00 N ATOM 341 CA GLY A 24 0.029 5.132 6.946 1.00 0.00 C ATOM 342 C GLY A 24 0.758 4.160 6.012 1.00 0.00 C ATOM 343 O GLY A 24 1.711 3.501 6.434 1.00 0.00 O ATOM 0 H GLY A 24 -1.269 6.541 6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.643 5.309 7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.898 4.673 7.289 1.00 0.00 H new ATOM 347 N LEU A 25 0.368 4.126 4.730 1.00 0.00 N ATOM 348 CA LEU A 25 1.082 3.375 3.682 1.00 0.00 C ATOM 349 C LEU A 25 2.473 3.964 3.384 1.00 0.00 C ATOM 350 O LEU A 25 3.438 3.217 3.228 1.00 0.00 O ATOM 351 CB LEU A 25 0.242 3.325 2.391 1.00 0.00 C ATOM 352 CG LEU A 25 -1.092 2.563 2.494 1.00 0.00 C ATOM 353 CD1 LEU A 25 -1.845 2.692 1.170 1.00 0.00 C ATOM 354 CD2 LEU A 25 -0.875 1.077 2.795 1.00 0.00 C ATOM 0 H LEU A 25 -0.456 4.620 4.387 1.00 0.00 H new ATOM 0 HA LEU A 25 1.230 2.363 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.032 4.347 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.842 2.866 1.606 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.665 2.998 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.791 2.155 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.039 3.744 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.243 2.269 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.840 0.574 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.284 0.627 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.346 0.971 3.742 1.00 0.00 H new ATOM 366 N GLU A 26 2.600 5.293 3.361 1.00 0.00 N ATOM 367 CA GLU A 26 3.881 5.992 3.195 1.00 0.00 C ATOM 368 C GLU A 26 4.850 5.622 4.331 1.00 0.00 C ATOM 369 O GLU A 26 6.005 5.273 4.075 1.00 0.00 O ATOM 370 CB GLU A 26 3.631 7.513 3.137 1.00 0.00 C ATOM 371 CG GLU A 26 4.839 8.284 2.593 1.00 0.00 C ATOM 372 CD GLU A 26 4.713 9.799 2.777 1.00 0.00 C ATOM 373 OE1 GLU A 26 3.714 10.394 2.306 1.00 0.00 O ATOM 374 OE2 GLU A 26 5.642 10.408 3.361 1.00 0.00 O ATOM 0 H GLU A 26 1.805 5.925 3.458 1.00 0.00 H new ATOM 0 HA GLU A 26 4.346 5.682 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.763 7.712 2.508 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.391 7.877 4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.742 7.936 3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.958 8.061 1.533 1.00 0.00 H new ATOM 381 N ALA A 27 4.372 5.617 5.581 1.00 0.00 N ATOM 382 CA ALA A 27 5.152 5.196 6.746 1.00 0.00 C ATOM 383 C ALA A 27 5.570 3.714 6.677 1.00 0.00 C ATOM 384 O ALA A 27 6.702 3.383 7.029 1.00 0.00 O ATOM 385 CB ALA A 27 4.327 5.474 8.007 1.00 0.00 C ATOM 0 H ALA A 27 3.422 5.909 5.812 1.00 0.00 H new ATOM 0 HA ALA A 27 6.080 5.767 6.767 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.892 5.166 8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.108 6.540 8.071 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.393 4.914 7.962 1.00 0.00 H new ATOM 391 N ALA A 28 4.702 2.830 6.173 1.00 0.00 N ATOM 392 CA ALA A 28 4.943 1.385 6.135 1.00 0.00 C ATOM 393 C ALA A 28 6.177 0.978 5.301 1.00 0.00 C ATOM 394 O ALA A 28 6.858 0.011 5.660 1.00 0.00 O ATOM 395 CB ALA A 28 3.675 0.691 5.618 1.00 0.00 C ATOM 0 H ALA A 28 3.803 3.102 5.776 1.00 0.00 H new ATOM 0 HA ALA A 28 5.171 1.062 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.838 -0.386 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.842 0.911 6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.443 1.055 4.617 1.00 0.00 H new ATOM 401 N PHE A 29 6.497 1.706 4.222 1.00 0.00 N ATOM 402 CA PHE A 29 7.710 1.498 3.408 1.00 0.00 C ATOM 403 C PHE A 29 8.840 2.524 3.647 1.00 0.00 C ATOM 404 O PHE A 29 9.968 2.277 3.221 1.00 0.00 O ATOM 405 CB PHE A 29 7.309 1.383 1.925 1.00 0.00 C ATOM 406 CG PHE A 29 8.463 1.229 0.940 1.00 0.00 C ATOM 407 CD1 PHE A 29 9.095 2.366 0.393 1.00 0.00 C ATOM 408 CD2 PHE A 29 8.919 -0.052 0.578 1.00 0.00 C ATOM 409 CE1 PHE A 29 10.175 2.222 -0.495 1.00 0.00 C ATOM 410 CE2 PHE A 29 9.998 -0.198 -0.314 1.00 0.00 C ATOM 411 CZ PHE A 29 10.633 0.940 -0.841 1.00 0.00 C ATOM 0 H PHE A 29 5.912 2.470 3.882 1.00 0.00 H new ATOM 0 HA PHE A 29 8.160 0.561 3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.643 0.528 1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.738 2.270 1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.747 3.353 0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.438 -0.928 0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.653 3.097 -0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 29 10.338 -1.184 -0.593 1.00 0.00 H new ATOM 0 HZ PHE A 29 11.472 0.829 -1.511 1.00 0.00 H new ATOM 421 N SER A 30 8.605 3.653 4.331 1.00 0.00 N ATOM 422 CA SER A 30 9.588 4.754 4.420 1.00 0.00 C ATOM 423 C SER A 30 10.986 4.357 4.953 1.00 0.00 C ATOM 424 O SER A 30 11.961 5.049 4.641 1.00 0.00 O ATOM 425 CB SER A 30 9.046 5.910 5.277 1.00 0.00 C ATOM 426 OG SER A 30 8.146 6.711 4.534 1.00 0.00 O ATOM 0 H SER A 30 7.737 3.833 4.836 1.00 0.00 H new ATOM 0 HA SER A 30 9.729 5.061 3.384 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.542 5.510 6.157 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.874 6.522 5.634 1.00 0.00 H new ATOM 0 HG SER A 30 7.441 6.145 4.155 1.00 0.00 H new ATOM 432 N SER A 31 11.116 3.248 5.698 1.00 0.00 N ATOM 433 CA SER A 31 12.391 2.696 6.202 1.00 0.00 C ATOM 434 C SER A 31 13.159 1.819 5.192 1.00 0.00 C ATOM 435 O SER A 31 14.330 1.501 5.422 1.00 0.00 O ATOM 436 CB SER A 31 12.150 1.873 7.476 1.00 0.00 C ATOM 437 OG SER A 31 11.461 2.614 8.471 1.00 0.00 O ATOM 0 H SER A 31 10.310 2.689 5.978 1.00 0.00 H new ATOM 0 HA SER A 31 13.014 3.568 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.575 0.981 7.227 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.107 1.535 7.874 1.00 0.00 H new ATOM 0 HG SER A 31 11.327 2.053 9.263 1.00 0.00 H new ATOM 443 N PHE A 32 12.548 1.433 4.068 1.00 0.00 N ATOM 444 CA PHE A 32 13.160 0.612 3.011 1.00 0.00 C ATOM 445 C PHE A 32 13.777 1.467 1.893 1.00 0.00 C ATOM 446 O PHE A 32 14.880 1.175 1.417 1.00 0.00 O ATOM 447 CB PHE A 32 12.115 -0.363 2.450 1.00 0.00 C ATOM 448 CG PHE A 32 11.659 -1.440 3.420 1.00 0.00 C ATOM 449 CD1 PHE A 32 10.680 -1.155 4.392 1.00 0.00 C ATOM 450 CD2 PHE A 32 12.208 -2.734 3.348 1.00 0.00 C ATOM 451 CE1 PHE A 32 10.259 -2.154 5.289 1.00 0.00 C ATOM 452 CE2 PHE A 32 11.786 -3.734 4.245 1.00 0.00 C ATOM 453 CZ PHE A 32 10.812 -3.443 5.215 1.00 0.00 C ATOM 0 H PHE A 32 11.583 1.690 3.859 1.00 0.00 H new ATOM 0 HA PHE A 32 13.980 0.046 3.453 1.00 0.00 H new ATOM 0 HB2 PHE A 32 11.244 0.207 2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.528 -0.844 1.563 1.00 0.00 H new ATOM 0 HD1 PHE A 32 10.251 -0.166 4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 32 12.956 -2.961 2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.511 -1.930 6.035 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.211 -4.725 4.187 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.489 -4.210 5.903 1.00 0.00 H new ATOM 463 N GLY A 33 13.112 2.555 1.508 1.00 0.00 N ATOM 464 CA GLY A 33 13.587 3.482 0.479 1.00 0.00 C ATOM 465 C GLY A 33 12.676 4.699 0.327 1.00 0.00 C ATOM 466 O GLY A 33 11.895 5.018 1.225 1.00 0.00 O ATOM 0 H GLY A 33 12.213 2.823 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.594 3.814 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.653 2.959 -0.475 1.00 0.00 H new ATOM 470 N GLU A 34 12.766 5.388 -0.809 1.00 0.00 N ATOM 471 CA GLU A 34 11.953 6.580 -1.087 1.00 0.00 C ATOM 472 C GLU A 34 10.629 6.235 -1.783 1.00 0.00 C ATOM 473 O GLU A 34 10.601 5.480 -2.760 1.00 0.00 O ATOM 474 CB GLU A 34 12.755 7.607 -1.896 1.00 0.00 C ATOM 475 CG GLU A 34 14.004 8.085 -1.146 1.00 0.00 C ATOM 476 CD GLU A 34 14.716 9.170 -1.951 1.00 0.00 C ATOM 477 OE1 GLU A 34 14.165 10.293 -2.057 1.00 0.00 O ATOM 478 OE2 GLU A 34 15.797 8.870 -2.518 1.00 0.00 O ATOM 0 H GLU A 34 13.403 5.139 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 34 11.694 7.025 -0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.051 7.166 -2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.120 8.463 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.724 8.473 -0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.679 7.246 -0.975 1.00 0.00 H new ATOM 485 N ILE A 35 9.532 6.820 -1.298 1.00 0.00 N ATOM 486 CA ILE A 35 8.191 6.712 -1.883 1.00 0.00 C ATOM 487 C ILE A 35 8.088 7.570 -3.142 1.00 0.00 C ATOM 488 O ILE A 35 8.482 8.741 -3.125 1.00 0.00 O ATOM 489 CB ILE A 35 7.130 7.152 -0.845 1.00 0.00 C ATOM 490 CG1 ILE A 35 7.100 6.188 0.358 1.00 0.00 C ATOM 491 CG2 ILE A 35 5.725 7.313 -1.462 1.00 0.00 C ATOM 492 CD1 ILE A 35 6.459 4.829 0.073 1.00 0.00 C ATOM 0 H ILE A 35 9.552 7.401 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 35 8.009 5.673 -2.159 1.00 0.00 H new ATOM 0 HB ILE A 35 7.430 8.138 -0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.121 6.027 0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.559 6.665 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.022 7.623 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.757 8.068 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.403 6.362 -1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.483 4.219 0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.425 4.973 -0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.012 4.325 -0.720 1.00 0.00 H new ATOM 504 N LEU A 36 7.479 7.016 -4.194 1.00 0.00 N ATOM 505 CA LEU A 36 7.052 7.757 -5.383 1.00 0.00 C ATOM 506 C LEU A 36 5.517 7.818 -5.545 1.00 0.00 C ATOM 507 O LEU A 36 5.046 8.725 -6.234 1.00 0.00 O ATOM 508 CB LEU A 36 7.784 7.220 -6.631 1.00 0.00 C ATOM 509 CG LEU A 36 9.318 7.405 -6.645 1.00 0.00 C ATOM 510 CD1 LEU A 36 9.902 6.922 -7.976 1.00 0.00 C ATOM 511 CD2 LEU A 36 9.754 8.865 -6.491 1.00 0.00 C ATOM 0 H LEU A 36 7.265 6.020 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 36 7.344 8.799 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.565 6.157 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.370 7.712 -7.511 1.00 0.00 H new ATOM 0 HG LEU A 36 9.683 6.826 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.983 7.059 -7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.671 5.866 -8.113 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.468 7.497 -8.794 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.842 8.924 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.345 9.455 -7.311 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.385 9.257 -5.543 1.00 0.00 H new ATOM 523 N ASP A 37 4.717 6.984 -4.861 1.00 0.00 N ATOM 524 CA ASP A 37 3.245 7.129 -4.785 1.00 0.00 C ATOM 525 C ASP A 37 2.660 6.509 -3.504 1.00 0.00 C ATOM 526 O ASP A 37 3.132 5.454 -3.083 1.00 0.00 O ATOM 527 CB ASP A 37 2.534 6.420 -5.954 1.00 0.00 C ATOM 528 CG ASP A 37 2.789 7.031 -7.327 1.00 0.00 C ATOM 529 OD1 ASP A 37 2.158 8.068 -7.659 1.00 0.00 O ATOM 530 OD2 ASP A 37 3.565 6.439 -8.112 1.00 0.00 O ATOM 0 H ASP A 37 5.072 6.182 -4.339 1.00 0.00 H new ATOM 0 HA ASP A 37 3.074 8.205 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.849 5.377 -5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.461 6.425 -5.764 1.00 0.00 H new ATOM 535 N ALA A 38 1.565 7.070 -2.974 1.00 0.00 N ATOM 536 CA ALA A 38 0.629 6.383 -2.089 1.00 0.00 C ATOM 537 C ALA A 38 -0.821 6.806 -2.425 1.00 0.00 C ATOM 538 O ALA A 38 -1.096 7.987 -2.672 1.00 0.00 O ATOM 539 CB ALA A 38 1.011 6.665 -0.631 1.00 0.00 C ATOM 0 H ALA A 38 1.303 8.039 -3.157 1.00 0.00 H new ATOM 0 HA ALA A 38 0.683 5.304 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.314 6.154 0.033 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.022 6.304 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.968 7.738 -0.445 1.00 0.00 H new ATOM 545 N LYS A 39 -1.740 5.836 -2.449 1.00 0.00 N ATOM 546 CA LYS A 39 -3.166 5.960 -2.814 1.00 0.00 C ATOM 547 C LYS A 39 -4.041 5.403 -1.693 1.00 0.00 C ATOM 548 O LYS A 39 -3.714 4.353 -1.152 1.00 0.00 O ATOM 549 CB LYS A 39 -3.390 5.207 -4.147 1.00 0.00 C ATOM 550 CG LYS A 39 -4.821 4.733 -4.491 1.00 0.00 C ATOM 551 CD LYS A 39 -5.763 5.879 -4.867 1.00 0.00 C ATOM 552 CE LYS A 39 -7.147 5.297 -5.164 1.00 0.00 C ATOM 553 NZ LYS A 39 -8.101 6.361 -5.532 1.00 0.00 N ATOM 0 H LYS A 39 -1.498 4.877 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.443 7.006 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.051 5.855 -4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.741 4.331 -4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.773 4.025 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.234 4.197 -3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.823 6.601 -4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.382 6.412 -5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.074 4.573 -5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.515 4.760 -4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.032 5.940 -5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.186 7.038 -4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.759 6.856 -6.380 1.00 0.00 H new ATOM 567 N ILE A 40 -5.175 6.043 -1.412 1.00 0.00 N ATOM 568 CA ILE A 40 -6.263 5.511 -0.574 1.00 0.00 C ATOM 569 C ILE A 40 -7.544 5.381 -1.414 1.00 0.00 C ATOM 570 O ILE A 40 -7.853 6.275 -2.209 1.00 0.00 O ATOM 571 CB ILE A 40 -6.427 6.404 0.686 1.00 0.00 C ATOM 572 CG1 ILE A 40 -6.934 5.669 1.944 1.00 0.00 C ATOM 573 CG2 ILE A 40 -7.257 7.674 0.447 1.00 0.00 C ATOM 574 CD1 ILE A 40 -8.236 4.867 1.845 1.00 0.00 C ATOM 0 H ILE A 40 -5.374 6.977 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.028 4.509 -0.216 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.400 6.706 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.148 4.987 2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.060 6.410 2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.326 8.244 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.777 8.283 -0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.258 7.397 0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.457 4.411 2.810 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -9.052 5.532 1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.126 4.087 1.092 1.00 0.00 H new ATOM 586 N ILE A 41 -8.309 4.297 -1.252 1.00 0.00 N ATOM 587 CA ILE A 41 -9.682 4.186 -1.776 1.00 0.00 C ATOM 588 C ILE A 41 -10.731 4.048 -0.651 1.00 0.00 C ATOM 589 O ILE A 41 -10.759 3.082 0.122 1.00 0.00 O ATOM 590 CB ILE A 41 -9.786 3.122 -2.892 1.00 0.00 C ATOM 591 CG1 ILE A 41 -11.243 3.042 -3.393 1.00 0.00 C ATOM 592 CG2 ILE A 41 -9.181 1.772 -2.467 1.00 0.00 C ATOM 593 CD1 ILE A 41 -11.425 2.243 -4.692 1.00 0.00 C ATOM 0 H ILE A 41 -7.995 3.465 -0.752 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.931 5.129 -2.262 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.175 3.426 -3.742 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.858 2.591 -2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.617 4.054 -3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.278 1.057 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.127 1.906 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.710 1.396 -1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.479 2.238 -4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.841 2.705 -5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.085 1.219 -4.540 1.00 0.00 H new ATOM 605 N ASN A 42 -11.616 5.045 -0.580 1.00 0.00 N ATOM 606 CA ASN A 42 -12.775 5.098 0.315 1.00 0.00 C ATOM 607 C ASN A 42 -13.874 6.061 -0.205 1.00 0.00 C ATOM 608 O ASN A 42 -13.617 6.970 -0.998 1.00 0.00 O ATOM 609 CB ASN A 42 -12.300 5.461 1.747 1.00 0.00 C ATOM 610 CG ASN A 42 -11.624 6.821 1.907 1.00 0.00 C ATOM 611 OD1 ASN A 42 -11.626 7.670 1.028 1.00 0.00 O ATOM 612 ND2 ASN A 42 -11.020 7.085 3.037 1.00 0.00 N ATOM 0 H ASN A 42 -11.541 5.874 -1.170 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.242 4.114 0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.162 5.426 2.413 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.606 4.691 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.562 7.986 3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.007 6.390 3.783 1.00 0.00 H new ATOM 619 N ASP A 43 -15.108 5.885 0.264 1.00 0.00 N ATOM 620 CA ASP A 43 -16.052 6.997 0.490 1.00 0.00 C ATOM 621 C ASP A 43 -16.717 6.841 1.863 1.00 0.00 C ATOM 622 O ASP A 43 -17.324 5.804 2.129 1.00 0.00 O ATOM 623 CB ASP A 43 -17.127 7.069 -0.609 1.00 0.00 C ATOM 624 CG ASP A 43 -17.760 8.449 -0.753 1.00 0.00 C ATOM 625 OD1 ASP A 43 -17.007 9.446 -0.884 1.00 0.00 O ATOM 626 OD2 ASP A 43 -19.010 8.529 -0.722 1.00 0.00 O ATOM 0 H ASP A 43 -15.490 4.969 0.501 1.00 0.00 H new ATOM 0 HA ASP A 43 -15.485 7.927 0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -16.681 6.782 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -17.908 6.341 -0.390 1.00 0.00 H new ATOM 631 N ARG A 44 -16.643 7.858 2.727 1.00 0.00 N ATOM 632 CA ARG A 44 -17.299 7.833 4.044 1.00 0.00 C ATOM 633 C ARG A 44 -18.804 8.092 3.922 1.00 0.00 C ATOM 634 O ARG A 44 -19.608 7.440 4.583 1.00 0.00 O ATOM 635 CB ARG A 44 -16.595 8.846 4.964 1.00 0.00 C ATOM 636 CG ARG A 44 -17.005 8.657 6.429 1.00 0.00 C ATOM 637 CD ARG A 44 -16.310 9.671 7.348 1.00 0.00 C ATOM 638 NE ARG A 44 -16.666 9.437 8.759 1.00 0.00 N ATOM 639 CZ ARG A 44 -17.830 9.644 9.343 1.00 0.00 C ATOM 640 NH1 ARG A 44 -18.817 10.251 8.750 1.00 0.00 N ATOM 641 NH2 ARG A 44 -18.008 9.224 10.555 1.00 0.00 N ATOM 0 H ARG A 44 -16.130 8.719 2.537 1.00 0.00 H new ATOM 0 HA ARG A 44 -17.206 6.841 4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -15.515 8.734 4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.839 9.859 4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -18.086 8.763 6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.756 7.645 6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.229 9.597 7.225 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -16.595 10.683 7.060 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.923 9.071 9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.707 10.589 7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -19.700 10.389 9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.254 8.741 11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.902 9.376 11.021 1.00 0.00 H new ATOM 655 N GLU A 45 -19.173 9.004 3.026 1.00 0.00 N ATOM 656 CA GLU A 45 -20.534 9.504 2.787 1.00 0.00 C ATOM 657 C GLU A 45 -21.485 8.426 2.231 1.00 0.00 C ATOM 658 O GLU A 45 -22.612 8.275 2.713 1.00 0.00 O ATOM 659 CB GLU A 45 -20.374 10.695 1.832 1.00 0.00 C ATOM 660 CG GLU A 45 -21.604 11.598 1.675 1.00 0.00 C ATOM 661 CD GLU A 45 -21.201 12.909 0.979 1.00 0.00 C ATOM 662 OE1 GLU A 45 -20.491 13.741 1.596 1.00 0.00 O ATOM 663 OE2 GLU A 45 -21.521 13.103 -0.218 1.00 0.00 O ATOM 0 H GLU A 45 -18.492 9.444 2.407 1.00 0.00 H new ATOM 0 HA GLU A 45 -21.006 9.805 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -19.541 11.306 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -20.100 10.313 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -22.370 11.087 1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -22.037 11.812 2.652 1.00 0.00 H new ATOM 670 N THR A 46 -21.007 7.611 1.283 1.00 0.00 N ATOM 671 CA THR A 46 -21.688 6.397 0.783 1.00 0.00 C ATOM 672 C THR A 46 -21.240 5.100 1.483 1.00 0.00 C ATOM 673 O THR A 46 -21.471 3.999 0.982 1.00 0.00 O ATOM 674 CB THR A 46 -21.666 6.291 -0.753 1.00 0.00 C ATOM 675 OG1 THR A 46 -20.355 6.272 -1.270 1.00 0.00 O ATOM 676 CG2 THR A 46 -22.405 7.449 -1.423 1.00 0.00 C ATOM 0 H THR A 46 -20.111 7.777 0.826 1.00 0.00 H new ATOM 0 HA THR A 46 -22.734 6.520 1.063 1.00 0.00 H new ATOM 0 HB THR A 46 -22.167 5.349 -0.976 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.904 7.113 -1.048 1.00 0.00 H new ATOM 0 HG21 THR A 46 -22.362 7.330 -2.506 1.00 0.00 H new ATOM 0 HG22 THR A 46 -23.446 7.452 -1.099 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.935 8.392 -1.143 1.00 0.00 H new ATOM 684 N GLY A 47 -20.583 5.207 2.647 1.00 0.00 N ATOM 685 CA GLY A 47 -20.350 4.089 3.576 1.00 0.00 C ATOM 686 C GLY A 47 -19.333 3.026 3.138 1.00 0.00 C ATOM 687 O GLY A 47 -19.251 1.973 3.778 1.00 0.00 O ATOM 0 H GLY A 47 -20.191 6.089 2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.020 4.502 4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -21.304 3.593 3.757 1.00 0.00 H new ATOM 691 N ARG A 48 -18.565 3.282 2.072 1.00 0.00 N ATOM 692 CA ARG A 48 -17.668 2.339 1.381 1.00 0.00 C ATOM 693 C ARG A 48 -16.187 2.651 1.618 1.00 0.00 C ATOM 694 O ARG A 48 -15.454 3.045 0.710 1.00 0.00 O ATOM 695 CB ARG A 48 -18.025 2.271 -0.119 1.00 0.00 C ATOM 696 CG ARG A 48 -18.162 3.643 -0.791 1.00 0.00 C ATOM 697 CD ARG A 48 -18.015 3.630 -2.315 1.00 0.00 C ATOM 698 NE ARG A 48 -18.955 2.728 -3.003 1.00 0.00 N ATOM 699 CZ ARG A 48 -20.176 2.999 -3.423 1.00 0.00 C ATOM 700 NH1 ARG A 48 -20.796 4.114 -3.174 1.00 0.00 N ATOM 701 NH2 ARG A 48 -20.787 2.110 -4.143 1.00 0.00 N ATOM 0 H ARG A 48 -18.550 4.206 1.641 1.00 0.00 H new ATOM 0 HA ARG A 48 -17.825 1.350 1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -17.257 1.698 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -18.962 1.726 -0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.137 4.060 -0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -17.410 4.313 -0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.159 4.643 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -16.996 3.337 -2.568 1.00 0.00 H new ATOM 0 HE ARG A 48 -18.622 1.780 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.338 4.841 -2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.741 4.262 -3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.323 1.230 -4.370 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.732 2.290 -4.483 1.00 0.00 H new ATOM 715 N SER A 49 -15.702 2.412 2.831 1.00 0.00 N ATOM 716 CA SER A 49 -14.259 2.287 3.069 1.00 0.00 C ATOM 717 C SER A 49 -13.805 0.935 2.515 1.00 0.00 C ATOM 718 O SER A 49 -14.126 -0.112 3.080 1.00 0.00 O ATOM 719 CB SER A 49 -13.891 2.460 4.553 1.00 0.00 C ATOM 720 OG SER A 49 -14.213 3.773 4.967 1.00 0.00 O ATOM 0 H SER A 49 -16.279 2.301 3.665 1.00 0.00 H new ATOM 0 HA SER A 49 -13.735 3.091 2.553 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.431 1.733 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.828 2.271 4.700 1.00 0.00 H new ATOM 0 HG SER A 49 -13.981 3.884 5.913 1.00 0.00 H new ATOM 726 N ARG A 50 -13.083 0.932 1.385 1.00 0.00 N ATOM 727 CA ARG A 50 -12.497 -0.299 0.817 1.00 0.00 C ATOM 728 C ARG A 50 -11.337 -0.803 1.676 1.00 0.00 C ATOM 729 O ARG A 50 -11.109 -2.006 1.766 1.00 0.00 O ATOM 730 CB ARG A 50 -12.022 -0.050 -0.625 1.00 0.00 C ATOM 731 CG ARG A 50 -13.131 0.265 -1.643 1.00 0.00 C ATOM 732 CD ARG A 50 -13.837 -0.979 -2.186 1.00 0.00 C ATOM 733 NE ARG A 50 -14.856 -1.538 -1.275 1.00 0.00 N ATOM 734 CZ ARG A 50 -16.152 -1.276 -1.305 1.00 0.00 C ATOM 735 NH1 ARG A 50 -16.683 -0.390 -2.092 1.00 0.00 N ATOM 736 NH2 ARG A 50 -16.983 -1.902 -0.532 1.00 0.00 N ATOM 0 H ARG A 50 -12.888 1.772 0.841 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.271 -1.067 0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -11.314 0.779 -0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -11.479 -0.931 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.869 0.915 -1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.700 0.821 -2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.311 -0.730 -3.135 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.091 -1.746 -2.394 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.531 -2.185 -0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.093 0.145 -2.729 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.690 -0.229 -2.073 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.641 -2.612 0.116 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.979 -1.684 -0.571 1.00 0.00 H new ATOM 750 N GLY A 51 -10.626 0.117 2.330 1.00 0.00 N ATOM 751 CA GLY A 51 -9.544 -0.202 3.268 1.00 0.00 C ATOM 752 C GLY A 51 -8.224 -0.582 2.576 1.00 0.00 C ATOM 753 O GLY A 51 -7.394 -1.288 3.147 1.00 0.00 O ATOM 0 H GLY A 51 -10.786 1.119 2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.371 0.657 3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.860 -1.026 3.908 1.00 0.00 H new ATOM 757 N PHE A 52 -8.061 -0.142 1.327 1.00 0.00 N ATOM 758 CA PHE A 52 -7.029 -0.552 0.374 1.00 0.00 C ATOM 759 C PHE A 52 -6.436 0.665 -0.354 1.00 0.00 C ATOM 760 O PHE A 52 -6.914 1.796 -0.209 1.00 0.00 O ATOM 761 CB PHE A 52 -7.628 -1.581 -0.612 1.00 0.00 C ATOM 762 CG PHE A 52 -7.417 -3.032 -0.217 1.00 0.00 C ATOM 763 CD1 PHE A 52 -8.150 -3.601 0.841 1.00 0.00 C ATOM 764 CD2 PHE A 52 -6.460 -3.816 -0.892 1.00 0.00 C ATOM 765 CE1 PHE A 52 -7.923 -4.934 1.228 1.00 0.00 C ATOM 766 CE2 PHE A 52 -6.238 -5.152 -0.514 1.00 0.00 C ATOM 767 CZ PHE A 52 -6.966 -5.709 0.551 1.00 0.00 C ATOM 0 H PHE A 52 -8.688 0.557 0.928 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.206 -1.025 0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.698 -1.395 -0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.190 -1.419 -1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -8.891 -3.011 1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.893 -3.388 -1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.484 -5.362 2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.509 -5.749 -1.041 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.790 -6.732 0.849 1.00 0.00 H new ATOM 777 N GLY A 53 -5.383 0.420 -1.131 1.00 0.00 N ATOM 778 CA GLY A 53 -4.660 1.417 -1.902 1.00 0.00 C ATOM 779 C GLY A 53 -3.612 0.824 -2.846 1.00 0.00 C ATOM 780 O GLY A 53 -3.418 -0.390 -2.934 1.00 0.00 O ATOM 0 H GLY A 53 -4.998 -0.518 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.373 2.000 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.169 2.108 -1.216 1.00 0.00 H new ATOM 784 N PHE A 54 -2.887 1.710 -3.523 1.00 0.00 N ATOM 785 CA PHE A 54 -1.617 1.408 -4.194 1.00 0.00 C ATOM 786 C PHE A 54 -0.461 2.150 -3.508 1.00 0.00 C ATOM 787 O PHE A 54 -0.656 3.214 -2.915 1.00 0.00 O ATOM 788 CB PHE A 54 -1.694 1.743 -5.694 1.00 0.00 C ATOM 789 CG PHE A 54 -2.596 0.834 -6.511 1.00 0.00 C ATOM 790 CD1 PHE A 54 -2.148 -0.447 -6.889 1.00 0.00 C ATOM 791 CD2 PHE A 54 -3.865 1.275 -6.934 1.00 0.00 C ATOM 792 CE1 PHE A 54 -2.965 -1.283 -7.672 1.00 0.00 C ATOM 793 CE2 PHE A 54 -4.687 0.437 -7.710 1.00 0.00 C ATOM 794 CZ PHE A 54 -4.239 -0.844 -8.076 1.00 0.00 C ATOM 0 H PHE A 54 -3.170 2.685 -3.625 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.425 0.338 -4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.043 2.770 -5.804 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.688 1.702 -6.112 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.173 -0.789 -6.576 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.209 2.262 -6.661 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.614 -2.262 -7.963 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.662 0.778 -8.024 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.872 -1.490 -8.666 1.00 0.00 H new ATOM 804 N VAL A 55 0.756 1.621 -3.631 1.00 0.00 N ATOM 805 CA VAL A 55 2.001 2.294 -3.226 1.00 0.00 C ATOM 806 C VAL A 55 3.090 2.032 -4.273 1.00 0.00 C ATOM 807 O VAL A 55 3.132 0.946 -4.862 1.00 0.00 O ATOM 808 CB VAL A 55 2.400 1.882 -1.790 1.00 0.00 C ATOM 809 CG1 VAL A 55 2.741 0.394 -1.661 1.00 0.00 C ATOM 810 CG2 VAL A 55 3.568 2.699 -1.228 1.00 0.00 C ATOM 0 H VAL A 55 0.913 0.692 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 55 1.853 3.373 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 55 1.506 2.093 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.012 0.171 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.875 -0.204 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.579 0.155 -2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.797 2.359 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.444 2.566 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.295 3.754 -1.203 1.00 0.00 H new ATOM 820 N SER A 56 3.951 3.019 -4.543 1.00 0.00 N ATOM 821 CA SER A 56 5.094 2.860 -5.455 1.00 0.00 C ATOM 822 C SER A 56 6.414 3.325 -4.837 1.00 0.00 C ATOM 823 O SER A 56 6.476 4.283 -4.058 1.00 0.00 O ATOM 824 CB SER A 56 4.825 3.449 -6.852 1.00 0.00 C ATOM 825 OG SER A 56 5.340 4.757 -7.016 1.00 0.00 O ATOM 0 H SER A 56 3.877 3.952 -4.136 1.00 0.00 H new ATOM 0 HA SER A 56 5.214 1.788 -5.612 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.265 2.796 -7.605 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.750 3.464 -7.032 1.00 0.00 H new ATOM 0 HG SER A 56 4.617 5.362 -7.284 1.00 0.00 H new ATOM 831 N PHE A 57 7.468 2.595 -5.187 1.00 0.00 N ATOM 832 CA PHE A 57 8.812 2.664 -4.621 1.00 0.00 C ATOM 833 C PHE A 57 9.792 3.260 -5.636 1.00 0.00 C ATOM 834 O PHE A 57 9.386 3.755 -6.690 1.00 0.00 O ATOM 835 CB PHE A 57 9.238 1.261 -4.148 1.00 0.00 C ATOM 836 CG PHE A 57 8.164 0.458 -3.430 1.00 0.00 C ATOM 837 CD1 PHE A 57 7.464 1.020 -2.345 1.00 0.00 C ATOM 838 CD2 PHE A 57 7.853 -0.848 -3.855 1.00 0.00 C ATOM 839 CE1 PHE A 57 6.490 0.271 -1.664 1.00 0.00 C ATOM 840 CE2 PHE A 57 6.880 -1.600 -3.170 1.00 0.00 C ATOM 841 CZ PHE A 57 6.211 -1.046 -2.066 1.00 0.00 C ATOM 0 H PHE A 57 7.402 1.892 -5.923 1.00 0.00 H new ATOM 0 HA PHE A 57 8.817 3.326 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.575 0.691 -5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.095 1.366 -3.482 1.00 0.00 H new ATOM 0 HD1 PHE A 57 7.677 2.032 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.362 -1.273 -4.708 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.956 0.707 -0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.648 -2.604 -3.494 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.482 -1.632 -1.526 1.00 0.00 H new ATOM 851 N SER A 58 11.084 3.243 -5.308 1.00 0.00 N ATOM 852 CA SER A 58 12.156 3.809 -6.138 1.00 0.00 C ATOM 853 C SER A 58 13.281 2.833 -6.512 1.00 0.00 C ATOM 854 O SER A 58 14.085 3.189 -7.371 1.00 0.00 O ATOM 855 CB SER A 58 12.718 5.066 -5.463 1.00 0.00 C ATOM 856 OG SER A 58 12.834 4.881 -4.063 1.00 0.00 O ATOM 0 H SER A 58 11.425 2.828 -4.441 1.00 0.00 H new ATOM 0 HA SER A 58 11.693 4.061 -7.092 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.695 5.304 -5.884 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.067 5.916 -5.669 1.00 0.00 H new ATOM 0 HG SER A 58 12.091 5.333 -3.611 1.00 0.00 H new ATOM 862 N ASN A 59 13.358 1.628 -5.924 1.00 0.00 N ATOM 863 CA ASN A 59 14.362 0.609 -6.274 1.00 0.00 C ATOM 864 C ASN A 59 13.845 -0.839 -6.212 1.00 0.00 C ATOM 865 O ASN A 59 13.008 -1.196 -5.381 1.00 0.00 O ATOM 866 CB ASN A 59 15.605 0.733 -5.373 1.00 0.00 C ATOM 867 CG ASN A 59 16.353 2.037 -5.542 1.00 0.00 C ATOM 868 OD1 ASN A 59 16.407 2.874 -4.648 1.00 0.00 O ATOM 869 ND2 ASN A 59 16.977 2.227 -6.678 1.00 0.00 N ATOM 0 H ASN A 59 12.720 1.331 -5.186 1.00 0.00 H new ATOM 0 HA ASN A 59 14.616 0.812 -7.314 1.00 0.00 H new ATOM 0 HB2 ASN A 59 15.299 0.633 -4.332 1.00 0.00 H new ATOM 0 HB3 ASN A 59 16.282 -0.094 -5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 59 17.516 3.080 -6.827 1.00 0.00 H new ATOM 0 HD22 ASN A 59 16.924 1.522 -7.413 1.00 0.00 H new ATOM 876 N GLU A 60 14.437 -1.702 -7.040 1.00 0.00 N ATOM 877 CA GLU A 60 14.093 -3.130 -7.171 1.00 0.00 C ATOM 878 C GLU A 60 14.500 -3.973 -5.949 1.00 0.00 C ATOM 879 O GLU A 60 13.738 -4.829 -5.493 1.00 0.00 O ATOM 880 CB GLU A 60 14.801 -3.714 -8.404 1.00 0.00 C ATOM 881 CG GLU A 60 14.325 -3.166 -9.754 1.00 0.00 C ATOM 882 CD GLU A 60 13.044 -3.859 -10.221 1.00 0.00 C ATOM 883 OE1 GLU A 60 13.101 -5.081 -10.507 1.00 0.00 O ATOM 884 OE2 GLU A 60 11.985 -3.201 -10.338 1.00 0.00 O ATOM 0 H GLU A 60 15.196 -1.422 -7.662 1.00 0.00 H new ATOM 0 HA GLU A 60 13.008 -3.176 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 60 15.871 -3.526 -8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.666 -4.796 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.150 -2.093 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.107 -3.304 -10.500 1.00 0.00 H new ATOM 891 N GLN A 61 15.695 -3.752 -5.394 1.00 0.00 N ATOM 892 CA GLN A 61 16.176 -4.499 -4.222 1.00 0.00 C ATOM 893 C GLN A 61 15.423 -4.094 -2.944 1.00 0.00 C ATOM 894 O GLN A 61 15.094 -4.958 -2.124 1.00 0.00 O ATOM 895 CB GLN A 61 17.696 -4.314 -4.083 1.00 0.00 C ATOM 896 CG GLN A 61 18.460 -5.075 -5.180 1.00 0.00 C ATOM 897 CD GLN A 61 19.911 -4.623 -5.274 1.00 0.00 C ATOM 898 OE1 GLN A 61 20.809 -5.171 -4.640 1.00 0.00 O ATOM 899 NE2 GLN A 61 20.191 -3.606 -6.053 1.00 0.00 N ATOM 0 H GLN A 61 16.355 -3.055 -5.740 1.00 0.00 H new ATOM 0 HA GLN A 61 15.972 -5.559 -4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.941 -3.253 -4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 61 18.018 -4.666 -3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 61 18.425 -6.145 -4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 61 17.968 -4.920 -6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 61 19.448 -3.148 -6.581 1.00 0.00 H new ATOM 0 HE22 GLN A 61 21.152 -3.273 -6.131 1.00 0.00 H new ATOM 908 N ALA A 62 15.065 -2.807 -2.830 1.00 0.00 N ATOM 909 CA ALA A 62 14.187 -2.282 -1.782 1.00 0.00 C ATOM 910 C ALA A 62 12.776 -2.886 -1.873 1.00 0.00 C ATOM 911 O ALA A 62 12.238 -3.342 -0.865 1.00 0.00 O ATOM 912 CB ALA A 62 14.135 -0.752 -1.895 1.00 0.00 C ATOM 0 H ALA A 62 15.386 -2.089 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 62 14.591 -2.563 -0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.483 -0.352 -1.118 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.138 -0.344 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.746 -0.472 -2.874 1.00 0.00 H new ATOM 918 N MET A 63 12.206 -2.966 -3.084 1.00 0.00 N ATOM 919 CA MET A 63 10.914 -3.619 -3.322 1.00 0.00 C ATOM 920 C MET A 63 10.921 -5.081 -2.854 1.00 0.00 C ATOM 921 O MET A 63 9.956 -5.513 -2.238 1.00 0.00 O ATOM 922 CB MET A 63 10.531 -3.504 -4.809 1.00 0.00 C ATOM 923 CG MET A 63 9.177 -4.157 -5.115 1.00 0.00 C ATOM 924 SD MET A 63 8.594 -3.930 -6.813 1.00 0.00 S ATOM 925 CE MET A 63 7.105 -4.964 -6.766 1.00 0.00 C ATOM 0 H MET A 63 12.630 -2.578 -3.927 1.00 0.00 H new ATOM 0 HA MET A 63 10.157 -3.105 -2.729 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.497 -2.452 -5.092 1.00 0.00 H new ATOM 0 HB3 MET A 63 11.304 -3.973 -5.418 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.250 -5.225 -4.910 1.00 0.00 H new ATOM 0 HG3 MET A 63 8.431 -3.751 -4.432 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.615 -4.940 -7.739 1.00 0.00 H new ATOM 0 HE2 MET A 63 7.382 -5.990 -6.524 1.00 0.00 H new ATOM 0 HE3 MET A 63 6.422 -4.584 -6.006 1.00 0.00 H new ATOM 935 N GLN A 64 11.996 -5.843 -3.069 1.00 0.00 N ATOM 936 CA GLN A 64 12.037 -7.263 -2.689 1.00 0.00 C ATOM 937 C GLN A 64 12.324 -7.496 -1.193 1.00 0.00 C ATOM 938 O GLN A 64 11.826 -8.478 -0.635 1.00 0.00 O ATOM 939 CB GLN A 64 13.051 -8.006 -3.558 1.00 0.00 C ATOM 940 CG GLN A 64 12.620 -8.130 -5.032 1.00 0.00 C ATOM 941 CD GLN A 64 13.790 -8.475 -5.950 1.00 0.00 C ATOM 942 OE1 GLN A 64 14.055 -9.625 -6.284 1.00 0.00 O ATOM 943 NE2 GLN A 64 14.561 -7.490 -6.359 1.00 0.00 N ATOM 0 H GLN A 64 12.853 -5.502 -3.505 1.00 0.00 H new ATOM 0 HA GLN A 64 11.038 -7.662 -2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 64 14.009 -7.488 -3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 64 13.208 -9.004 -3.148 1.00 0.00 H new ATOM 0 HG2 GLN A 64 11.853 -8.899 -5.120 1.00 0.00 H new ATOM 0 HG3 GLN A 64 12.170 -7.192 -5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 64 14.349 -6.530 -6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.370 -7.687 -6.948 1.00 0.00 H new ATOM 952 N ASP A 65 13.070 -6.606 -0.522 1.00 0.00 N ATOM 953 CA ASP A 65 13.192 -6.623 0.949 1.00 0.00 C ATOM 954 C ASP A 65 11.842 -6.248 1.595 1.00 0.00 C ATOM 955 O ASP A 65 11.458 -6.829 2.610 1.00 0.00 O ATOM 956 CB ASP A 65 14.340 -5.691 1.399 1.00 0.00 C ATOM 957 CG ASP A 65 14.703 -5.774 2.898 1.00 0.00 C ATOM 958 OD1 ASP A 65 14.641 -6.877 3.498 1.00 0.00 O ATOM 959 OD2 ASP A 65 15.105 -4.739 3.487 1.00 0.00 O ATOM 0 H ASP A 65 13.601 -5.862 -0.974 1.00 0.00 H new ATOM 0 HA ASP A 65 13.444 -7.629 1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 65 15.228 -5.926 0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 65 14.065 -4.663 1.164 1.00 0.00 H new ATOM 964 N ALA A 66 11.076 -5.351 0.963 1.00 0.00 N ATOM 965 CA ALA A 66 9.739 -4.978 1.417 1.00 0.00 C ATOM 966 C ALA A 66 8.693 -6.076 1.158 1.00 0.00 C ATOM 967 O ALA A 66 8.087 -6.558 2.103 1.00 0.00 O ATOM 968 CB ALA A 66 9.349 -3.635 0.794 1.00 0.00 C ATOM 0 H ALA A 66 11.372 -4.863 0.118 1.00 0.00 H new ATOM 0 HA ALA A 66 9.762 -4.866 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.351 -3.354 1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.064 -2.871 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.354 -3.723 -0.292 1.00 0.00 H new ATOM 974 N ILE A 67 8.475 -6.518 -0.085 1.00 0.00 N ATOM 975 CA ILE A 67 7.416 -7.478 -0.458 1.00 0.00 C ATOM 976 C ILE A 67 7.530 -8.817 0.298 1.00 0.00 C ATOM 977 O ILE A 67 6.500 -9.350 0.719 1.00 0.00 O ATOM 978 CB ILE A 67 7.375 -7.655 -2.000 1.00 0.00 C ATOM 979 CG1 ILE A 67 6.917 -6.368 -2.737 1.00 0.00 C ATOM 980 CG2 ILE A 67 6.492 -8.834 -2.449 1.00 0.00 C ATOM 981 CD1 ILE A 67 5.450 -5.960 -2.562 1.00 0.00 C ATOM 0 H ILE A 67 9.038 -6.216 -0.880 1.00 0.00 H new ATOM 0 HA ILE A 67 6.459 -7.062 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 67 8.406 -7.872 -2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.543 -5.542 -2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.109 -6.499 -3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.505 -8.905 -3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.876 -9.760 -2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.469 -8.673 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.257 -5.047 -3.125 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.804 -6.757 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.245 -5.785 -1.506 1.00 0.00 H new ATOM 993 N GLU A 68 8.741 -9.337 0.555 1.00 0.00 N ATOM 994 CA GLU A 68 8.904 -10.526 1.421 1.00 0.00 C ATOM 995 C GLU A 68 8.667 -10.237 2.927 1.00 0.00 C ATOM 996 O GLU A 68 8.272 -11.139 3.672 1.00 0.00 O ATOM 997 CB GLU A 68 10.291 -11.148 1.171 1.00 0.00 C ATOM 998 CG GLU A 68 10.463 -12.529 1.836 1.00 0.00 C ATOM 999 CD GLU A 68 11.792 -13.217 1.494 1.00 0.00 C ATOM 1000 OE1 GLU A 68 12.612 -12.651 0.729 1.00 0.00 O ATOM 1001 OE2 GLU A 68 12.043 -14.347 1.978 1.00 0.00 O ATOM 0 H GLU A 68 9.614 -8.962 0.183 1.00 0.00 H new ATOM 0 HA GLU A 68 8.127 -11.240 1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.451 -11.246 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.059 -10.472 1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.392 -12.413 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.640 -13.175 1.530 1.00 0.00 H new ATOM 1008 N GLY A 69 8.878 -8.997 3.384 1.00 0.00 N ATOM 1009 CA GLY A 69 8.670 -8.541 4.772 1.00 0.00 C ATOM 1010 C GLY A 69 7.304 -7.893 5.064 1.00 0.00 C ATOM 1011 O GLY A 69 6.996 -7.604 6.221 1.00 0.00 O ATOM 0 H GLY A 69 9.212 -8.250 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.797 -9.394 5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.452 -7.824 5.021 1.00 0.00 H new ATOM 1015 N MET A 70 6.484 -7.652 4.042 1.00 0.00 N ATOM 1016 CA MET A 70 5.168 -7.007 4.135 1.00 0.00 C ATOM 1017 C MET A 70 4.034 -8.013 4.312 1.00 0.00 C ATOM 1018 O MET A 70 3.093 -7.761 5.058 1.00 0.00 O ATOM 1019 CB MET A 70 4.900 -6.228 2.838 1.00 0.00 C ATOM 1020 CG MET A 70 5.595 -4.864 2.789 1.00 0.00 C ATOM 1021 SD MET A 70 4.685 -3.533 3.614 1.00 0.00 S ATOM 1022 CE MET A 70 5.848 -2.172 3.339 1.00 0.00 C ATOM 0 H MET A 70 6.725 -7.910 3.085 1.00 0.00 H new ATOM 0 HA MET A 70 5.191 -6.355 5.008 1.00 0.00 H new ATOM 0 HB2 MET A 70 5.231 -6.826 1.989 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.825 -6.083 2.726 1.00 0.00 H new ATOM 0 HG2 MET A 70 6.579 -4.954 3.249 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.754 -4.588 1.747 1.00 0.00 H new ATOM 0 HE1 MET A 70 5.398 -1.236 3.672 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.763 -2.356 3.902 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.084 -2.104 2.277 1.00 0.00 H new ATOM 1032 N ASN A 71 4.074 -9.134 3.591 1.00 0.00 N ATOM 1033 CA ASN A 71 2.893 -9.976 3.429 1.00 0.00 C ATOM 1034 C ASN A 71 2.461 -10.607 4.766 1.00 0.00 C ATOM 1035 O ASN A 71 3.182 -11.425 5.347 1.00 0.00 O ATOM 1036 CB ASN A 71 3.179 -11.005 2.329 1.00 0.00 C ATOM 1037 CG ASN A 71 1.919 -11.622 1.750 1.00 0.00 C ATOM 1038 OD1 ASN A 71 0.875 -10.989 1.639 1.00 0.00 O ATOM 1039 ND2 ASN A 71 1.987 -12.867 1.350 1.00 0.00 N ATOM 0 H ASN A 71 4.907 -9.477 3.113 1.00 0.00 H new ATOM 0 HA ASN A 71 2.039 -9.375 3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.743 -10.526 1.529 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.811 -11.796 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.167 -13.317 0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.859 -13.387 1.446 1.00 0.00 H new ATOM 1046 N GLY A 72 1.289 -10.203 5.260 1.00 0.00 N ATOM 1047 CA GLY A 72 0.736 -10.647 6.542 1.00 0.00 C ATOM 1048 C GLY A 72 1.181 -9.857 7.779 1.00 0.00 C ATOM 1049 O GLY A 72 0.801 -10.249 8.888 1.00 0.00 O ATOM 0 H GLY A 72 0.684 -9.544 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.351 -10.603 6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.005 -11.693 6.688 1.00 0.00 H new ATOM 1053 N LYS A 73 1.950 -8.762 7.640 1.00 0.00 N ATOM 1054 CA LYS A 73 2.334 -7.903 8.782 1.00 0.00 C ATOM 1055 C LYS A 73 1.079 -7.349 9.472 1.00 0.00 C ATOM 1056 O LYS A 73 0.174 -6.846 8.806 1.00 0.00 O ATOM 1057 CB LYS A 73 3.283 -6.775 8.301 1.00 0.00 C ATOM 1058 CG LYS A 73 4.436 -6.411 9.251 1.00 0.00 C ATOM 1059 CD LYS A 73 4.011 -5.767 10.576 1.00 0.00 C ATOM 1060 CE LYS A 73 5.250 -5.322 11.360 1.00 0.00 C ATOM 1061 NZ LYS A 73 4.888 -4.806 12.699 1.00 0.00 N ATOM 0 H LYS A 73 2.321 -8.447 6.744 1.00 0.00 H new ATOM 0 HA LYS A 73 2.876 -8.495 9.520 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.709 -7.070 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.689 -5.879 8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.004 -7.315 9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.110 -5.729 8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.365 -4.911 10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.432 -6.477 11.166 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.936 -6.162 11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.777 -4.549 10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.749 -4.514 13.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.253 -3.989 12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.407 -5.552 13.240 1.00 0.00 H new ATOM 1075 N GLU A 74 1.017 -7.421 10.802 1.00 0.00 N ATOM 1076 CA GLU A 74 0.010 -6.683 11.574 1.00 0.00 C ATOM 1077 C GLU A 74 0.404 -5.198 11.619 1.00 0.00 C ATOM 1078 O GLU A 74 1.393 -4.815 12.247 1.00 0.00 O ATOM 1079 CB GLU A 74 -0.174 -7.315 12.963 1.00 0.00 C ATOM 1080 CG GLU A 74 -1.420 -6.758 13.667 1.00 0.00 C ATOM 1081 CD GLU A 74 -1.721 -7.498 14.977 1.00 0.00 C ATOM 1082 OE1 GLU A 74 -2.000 -8.720 14.938 1.00 0.00 O ATOM 1083 OE2 GLU A 74 -1.740 -6.848 16.054 1.00 0.00 O ATOM 0 H GLU A 74 1.652 -7.983 11.370 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.965 -6.745 11.091 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.262 -8.397 12.864 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.708 -7.122 13.573 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.275 -5.698 13.875 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.279 -6.838 13.000 1.00 0.00 H new ATOM 1090 N LEU A 75 -0.345 -4.368 10.894 1.00 0.00 N ATOM 1091 CA LEU A 75 -0.058 -2.963 10.633 1.00 0.00 C ATOM 1092 C LEU A 75 -1.293 -2.095 10.864 1.00 0.00 C ATOM 1093 O LEU A 75 -2.397 -2.418 10.433 1.00 0.00 O ATOM 1094 CB LEU A 75 0.508 -2.831 9.213 1.00 0.00 C ATOM 1095 CG LEU A 75 1.112 -1.435 8.964 1.00 0.00 C ATOM 1096 CD1 LEU A 75 2.469 -1.571 8.286 1.00 0.00 C ATOM 1097 CD2 LEU A 75 0.204 -0.563 8.099 1.00 0.00 C ATOM 0 H LEU A 75 -1.211 -4.675 10.452 1.00 0.00 H new ATOM 0 HA LEU A 75 0.692 -2.598 11.334 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.273 -3.591 9.055 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.283 -3.019 8.487 1.00 0.00 H new ATOM 0 HG LEU A 75 1.221 -0.951 9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.890 -0.581 8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.140 -2.144 8.926 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.350 -2.086 7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.670 0.411 7.950 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.051 -1.044 7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.757 -0.433 8.596 1.00 0.00 H new ATOM 1109 N ASP A 76 -1.094 -1.000 11.594 1.00 0.00 N ATOM 1110 CA ASP A 76 -2.152 -0.102 12.083 1.00 0.00 C ATOM 1111 C ASP A 76 -3.308 -0.813 12.836 1.00 0.00 C ATOM 1112 O ASP A 76 -4.391 -0.249 12.996 1.00 0.00 O ATOM 1113 CB ASP A 76 -2.635 0.796 10.923 1.00 0.00 C ATOM 1114 CG ASP A 76 -3.405 2.016 11.431 1.00 0.00 C ATOM 1115 OD1 ASP A 76 -2.838 2.755 12.272 1.00 0.00 O ATOM 1116 OD2 ASP A 76 -4.569 2.248 11.022 1.00 0.00 O ATOM 0 H ASP A 76 -0.161 -0.698 11.874 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.714 0.528 12.857 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.777 1.126 10.337 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.272 0.216 10.256 1.00 0.00 H new ATOM 1121 N GLY A 77 -3.090 -2.034 13.342 1.00 0.00 N ATOM 1122 CA GLY A 77 -4.119 -2.876 13.975 1.00 0.00 C ATOM 1123 C GLY A 77 -4.880 -3.843 13.047 1.00 0.00 C ATOM 1124 O GLY A 77 -5.894 -4.414 13.462 1.00 0.00 O ATOM 0 H GLY A 77 -2.171 -2.476 13.323 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.644 -3.461 14.763 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.846 -2.222 14.457 1.00 0.00 H new ATOM 1128 N ARG A 78 -4.431 -4.053 11.802 1.00 0.00 N ATOM 1129 CA ARG A 78 -5.032 -4.955 10.797 1.00 0.00 C ATOM 1130 C ARG A 78 -3.957 -5.800 10.104 1.00 0.00 C ATOM 1131 O ARG A 78 -2.787 -5.447 10.144 1.00 0.00 O ATOM 1132 CB ARG A 78 -5.762 -4.089 9.759 1.00 0.00 C ATOM 1133 CG ARG A 78 -6.892 -3.219 10.328 1.00 0.00 C ATOM 1134 CD ARG A 78 -8.101 -4.065 10.738 1.00 0.00 C ATOM 1135 NE ARG A 78 -9.173 -3.240 11.316 1.00 0.00 N ATOM 1136 CZ ARG A 78 -9.457 -3.082 12.597 1.00 0.00 C ATOM 1137 NH1 ARG A 78 -8.697 -3.534 13.554 1.00 0.00 N ATOM 1138 NH2 ARG A 78 -10.540 -2.463 12.947 1.00 0.00 N ATOM 0 H ARG A 78 -3.601 -3.579 11.447 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.726 -5.638 11.288 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.034 -3.441 9.270 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.176 -4.740 8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.525 -2.664 11.192 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.197 -2.484 9.583 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.482 -4.600 9.868 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.790 -4.817 11.463 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.762 -2.734 10.655 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.838 -4.036 13.329 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.961 -3.386 14.528 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.172 -2.098 12.234 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.761 -2.340 13.935 1.00 0.00 H new ATOM 1152 N SER A 79 -4.321 -6.900 9.446 1.00 0.00 N ATOM 1153 CA SER A 79 -3.361 -7.716 8.680 1.00 0.00 C ATOM 1154 C SER A 79 -3.238 -7.221 7.232 1.00 0.00 C ATOM 1155 O SER A 79 -4.244 -7.122 6.525 1.00 0.00 O ATOM 1156 CB SER A 79 -3.751 -9.194 8.747 1.00 0.00 C ATOM 1157 OG SER A 79 -2.644 -10.004 8.402 1.00 0.00 O ATOM 0 H SER A 79 -5.278 -7.254 9.424 1.00 0.00 H new ATOM 0 HA SER A 79 -2.376 -7.608 9.133 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.095 -9.442 9.751 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.581 -9.390 8.068 1.00 0.00 H new ATOM 0 HG SER A 79 -2.902 -10.948 8.449 1.00 0.00 H new ATOM 1163 N ILE A 80 -2.018 -6.894 6.784 1.00 0.00 N ATOM 1164 CA ILE A 80 -1.761 -6.363 5.432 1.00 0.00 C ATOM 1165 C ILE A 80 -1.518 -7.464 4.389 1.00 0.00 C ATOM 1166 O ILE A 80 -1.065 -8.568 4.703 1.00 0.00 O ATOM 1167 CB ILE A 80 -0.666 -5.263 5.463 1.00 0.00 C ATOM 1168 CG1 ILE A 80 -0.754 -4.316 4.240 1.00 0.00 C ATOM 1169 CG2 ILE A 80 0.739 -5.867 5.562 1.00 0.00 C ATOM 1170 CD1 ILE A 80 0.136 -3.073 4.350 1.00 0.00 C ATOM 0 H ILE A 80 -1.175 -6.990 7.350 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.674 -5.875 5.091 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.852 -4.671 6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.477 -4.870 3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.789 -3.999 4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.479 -5.067 5.581 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.818 -6.456 6.476 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.921 -6.508 4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.018 -2.461 3.456 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.154 -2.494 5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.178 -3.379 4.446 1.00 0.00 H new ATOM 1182 N VAL A 81 -1.814 -7.150 3.130 1.00 0.00 N ATOM 1183 CA VAL A 81 -1.572 -7.986 1.943 1.00 0.00 C ATOM 1184 C VAL A 81 -0.771 -7.164 0.934 1.00 0.00 C ATOM 1185 O VAL A 81 -0.994 -5.957 0.831 1.00 0.00 O ATOM 1186 CB VAL A 81 -2.910 -8.469 1.339 1.00 0.00 C ATOM 1187 CG1 VAL A 81 -2.728 -9.244 0.027 1.00 0.00 C ATOM 1188 CG2 VAL A 81 -3.647 -9.387 2.321 1.00 0.00 C ATOM 0 H VAL A 81 -2.252 -6.260 2.891 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.005 -8.875 2.217 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.485 -7.565 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.702 -9.557 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.244 -8.603 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.109 -10.123 0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.586 -9.716 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.027 -10.255 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.853 -8.843 3.243 1.00 0.00 H new ATOM 1198 N VAL A 82 0.145 -7.807 0.199 1.00 0.00 N ATOM 1199 CA VAL A 82 0.938 -7.174 -0.873 1.00 0.00 C ATOM 1200 C VAL A 82 0.959 -8.003 -2.161 1.00 0.00 C ATOM 1201 O VAL A 82 1.142 -9.220 -2.102 1.00 0.00 O ATOM 1202 CB VAL A 82 2.382 -6.862 -0.455 1.00 0.00 C ATOM 1203 CG1 VAL A 82 2.385 -5.692 0.525 1.00 0.00 C ATOM 1204 CG2 VAL A 82 3.139 -8.044 0.153 1.00 0.00 C ATOM 0 H VAL A 82 0.362 -8.795 0.331 1.00 0.00 H new ATOM 0 HA VAL A 82 0.426 -6.232 -1.067 1.00 0.00 H new ATOM 0 HB VAL A 82 2.913 -6.611 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.410 -5.469 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.948 -4.816 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.800 -5.954 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.149 -7.732 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.619 -8.388 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.189 -8.856 -0.572 1.00 0.00 H new ATOM 1214 N ASN A 83 0.851 -7.355 -3.327 1.00 0.00 N ATOM 1215 CA ASN A 83 1.247 -7.938 -4.621 1.00 0.00 C ATOM 1216 C ASN A 83 1.561 -6.872 -5.689 1.00 0.00 C ATOM 1217 O ASN A 83 0.964 -5.796 -5.718 1.00 0.00 O ATOM 1218 CB ASN A 83 0.188 -8.934 -5.135 1.00 0.00 C ATOM 1219 CG ASN A 83 -1.205 -8.342 -5.242 1.00 0.00 C ATOM 1220 OD1 ASN A 83 -1.500 -7.549 -6.125 1.00 0.00 O ATOM 1221 ND2 ASN A 83 -2.106 -8.733 -4.375 1.00 0.00 N ATOM 0 H ASN A 83 0.485 -6.406 -3.403 1.00 0.00 H new ATOM 0 HA ASN A 83 2.174 -8.482 -4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.493 -9.302 -6.115 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.157 -9.795 -4.467 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.060 -8.376 -4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.854 -9.395 -3.641 1.00 0.00 H new ATOM 1228 N GLU A 84 2.480 -7.194 -6.598 1.00 0.00 N ATOM 1229 CA GLU A 84 2.962 -6.333 -7.689 1.00 0.00 C ATOM 1230 C GLU A 84 1.860 -5.859 -8.648 1.00 0.00 C ATOM 1231 O GLU A 84 0.813 -6.496 -8.785 1.00 0.00 O ATOM 1232 CB GLU A 84 4.080 -7.056 -8.469 1.00 0.00 C ATOM 1233 CG GLU A 84 3.683 -8.412 -9.092 1.00 0.00 C ATOM 1234 CD GLU A 84 3.400 -8.370 -10.601 1.00 0.00 C ATOM 1235 OE1 GLU A 84 2.712 -7.445 -11.087 1.00 0.00 O ATOM 1236 OE2 GLU A 84 3.849 -9.297 -11.319 1.00 0.00 O ATOM 0 H GLU A 84 2.934 -8.107 -6.598 1.00 0.00 H new ATOM 0 HA GLU A 84 3.351 -5.430 -7.218 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.428 -6.398 -9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.923 -7.217 -7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.483 -9.129 -8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.796 -8.785 -8.581 1.00 0.00 H new ATOM 1243 N ALA A 85 2.089 -4.709 -9.288 1.00 0.00 N ATOM 1244 CA ALA A 85 1.164 -4.053 -10.218 1.00 0.00 C ATOM 1245 C ALA A 85 1.723 -3.943 -11.666 1.00 0.00 C ATOM 1246 O ALA A 85 1.329 -3.059 -12.437 1.00 0.00 O ATOM 1247 CB ALA A 85 0.764 -2.709 -9.596 1.00 0.00 C ATOM 0 H ALA A 85 2.958 -4.188 -9.168 1.00 0.00 H new ATOM 0 HA ALA A 85 0.272 -4.664 -10.351 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.074 -2.191 -10.262 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.280 -2.883 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.654 -2.097 -9.448 1.00 0.00 H new ATOM 1253 N GLN A 86 2.675 -4.810 -12.033 1.00 0.00 N ATOM 1254 CA GLN A 86 3.363 -4.836 -13.332 1.00 0.00 C ATOM 1255 C GLN A 86 2.676 -5.771 -14.344 1.00 0.00 C ATOM 1256 O GLN A 86 2.553 -5.440 -15.526 1.00 0.00 O ATOM 1257 CB GLN A 86 4.829 -5.252 -13.113 1.00 0.00 C ATOM 1258 CG GLN A 86 5.677 -5.105 -14.388 1.00 0.00 C ATOM 1259 CD GLN A 86 7.089 -5.642 -14.195 1.00 0.00 C ATOM 1260 OE1 GLN A 86 8.000 -4.926 -13.808 1.00 0.00 O ATOM 1261 NE2 GLN A 86 7.321 -6.918 -14.412 1.00 0.00 N ATOM 0 H GLN A 86 3.002 -5.545 -11.406 1.00 0.00 H new ATOM 0 HA GLN A 86 3.319 -3.835 -13.761 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.262 -4.643 -12.320 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.863 -6.288 -12.774 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.195 -5.637 -15.208 1.00 0.00 H new ATOM 0 HG3 GLN A 86 5.724 -4.054 -14.674 1.00 0.00 H new ATOM 0 HE21 GLN A 86 6.568 -7.525 -14.735 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.254 -7.300 -14.257 1.00 0.00 H new ATOM 1270 N SER A 87 2.219 -6.942 -13.898 1.00 0.00 N ATOM 1271 CA SER A 87 1.640 -7.982 -14.762 1.00 0.00 C ATOM 1272 C SER A 87 0.240 -7.631 -15.280 1.00 0.00 C ATOM 1273 O SER A 87 -0.060 -7.909 -16.443 1.00 0.00 O ATOM 1274 CB SER A 87 1.643 -9.329 -14.035 1.00 0.00 C ATOM 1275 OG SER A 87 2.980 -9.698 -13.738 1.00 0.00 O ATOM 0 H SER A 87 2.239 -7.202 -12.912 1.00 0.00 H new ATOM 0 HA SER A 87 2.272 -8.050 -15.647 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.060 -9.261 -13.117 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.172 -10.091 -14.656 1.00 0.00 H new ATOM 0 HG SER A 87 3.211 -9.392 -12.836 1.00 0.00 H new ATOM 1281 N ARG A 88 -0.586 -6.951 -14.469 1.00 0.00 N ATOM 1282 CA ARG A 88 -1.925 -6.457 -14.852 1.00 0.00 C ATOM 1283 C ARG A 88 -1.865 -5.355 -15.918 1.00 0.00 C ATOM 1284 O ARG A 88 -2.787 -5.219 -16.718 1.00 0.00 O ATOM 1285 CB ARG A 88 -2.651 -5.944 -13.591 1.00 0.00 C ATOM 1286 CG ARG A 88 -4.179 -5.835 -13.774 1.00 0.00 C ATOM 1287 CD ARG A 88 -4.829 -4.910 -12.733 1.00 0.00 C ATOM 1288 NE ARG A 88 -4.581 -3.491 -13.052 1.00 0.00 N ATOM 1289 CZ ARG A 88 -3.897 -2.599 -12.364 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -3.344 -2.816 -11.209 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -3.734 -1.417 -12.868 1.00 0.00 N ATOM 0 H ARG A 88 -0.339 -6.722 -13.506 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.475 -7.287 -15.295 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.438 -6.614 -12.758 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.253 -4.966 -13.323 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.397 -5.461 -14.774 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.623 -6.828 -13.701 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.903 -5.095 -12.698 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.434 -5.138 -11.743 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.994 -3.155 -13.922 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.423 -3.733 -10.770 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.830 -2.069 -10.741 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.132 -1.192 -13.780 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.208 -0.711 -12.353 1.00 0.00 H new ATOM 1305 N GLY A 89 -0.782 -4.575 -15.959 1.00 0.00 N ATOM 1306 CA GLY A 89 -0.623 -3.430 -16.868 1.00 0.00 C ATOM 1307 C GLY A 89 -0.329 -3.784 -18.331 1.00 0.00 C ATOM 1308 O GLY A 89 -0.180 -2.887 -19.162 1.00 0.00 O ATOM 0 H GLY A 89 0.025 -4.721 -15.352 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.533 -2.832 -16.833 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.186 -2.802 -16.495 1.00 0.00 H new ATOM 1312 N TYR A 90 -0.247 -5.071 -18.681 1.00 0.00 N ATOM 1313 CA TYR A 90 -0.049 -5.508 -20.065 1.00 0.00 C ATOM 1314 C TYR A 90 -1.295 -5.236 -20.931 1.00 0.00 C ATOM 1315 O TYR A 90 -2.426 -5.336 -20.446 1.00 0.00 O ATOM 1316 CB TYR A 90 0.369 -6.980 -20.079 1.00 0.00 C ATOM 1317 CG TYR A 90 1.072 -7.385 -21.356 1.00 0.00 C ATOM 1318 CD1 TYR A 90 2.373 -6.905 -21.606 1.00 0.00 C ATOM 1319 CD2 TYR A 90 0.437 -8.225 -22.292 1.00 0.00 C ATOM 1320 CE1 TYR A 90 3.038 -7.256 -22.795 1.00 0.00 C ATOM 1321 CE2 TYR A 90 1.110 -8.593 -23.473 1.00 0.00 C ATOM 1322 CZ TYR A 90 2.411 -8.106 -23.729 1.00 0.00 C ATOM 1323 OH TYR A 90 3.068 -8.456 -24.863 1.00 0.00 O ATOM 0 H TYR A 90 -0.316 -5.839 -18.013 1.00 0.00 H new ATOM 0 HA TYR A 90 0.755 -4.924 -20.513 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.027 -7.173 -19.232 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.515 -7.604 -19.944 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.860 -6.267 -20.884 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -0.563 -8.586 -22.104 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.029 -6.874 -22.992 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.630 -9.249 -24.184 1.00 0.00 H new ATOM 0 HH TYR A 90 2.500 -9.046 -25.401 1.00 0.00 H new ATOM 1333 N GLY A 91 -1.093 -4.852 -22.196 1.00 0.00 N ATOM 1334 CA GLY A 91 -2.154 -4.378 -23.103 1.00 0.00 C ATOM 1335 C GLY A 91 -2.578 -2.907 -22.916 1.00 0.00 C ATOM 1336 O GLY A 91 -3.390 -2.409 -23.702 1.00 0.00 O ATOM 0 H GLY A 91 -0.170 -4.861 -22.631 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.817 -4.513 -24.131 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.031 -5.011 -22.970 1.00 0.00 H new ATOM 1340 N GLY A 92 -2.040 -2.207 -21.908 1.00 0.00 N ATOM 1341 CA GLY A 92 -2.220 -0.767 -21.654 1.00 0.00 C ATOM 1342 C GLY A 92 -1.080 0.076 -22.197 1.00 0.00 C ATOM 1343 O GLY A 92 -1.206 0.611 -23.321 1.00 0.00 O ATOM 1344 OXT GLY A 92 -0.050 0.204 -21.494 1.00 0.00 O ATOM 0 H GLY A 92 -1.438 -2.649 -21.213 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.156 -0.438 -22.106 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.309 -0.601 -20.580 1.00 0.00 H new TER 1348 GLY A 92