USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 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 85 GLN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 150:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 163:sc= -0.714 (180deg=-1.54) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 118:sc= -4.86! USER MOD Single : A 29 THR OG1 : rot 174:sc= -0.503 USER MOD Single : A 31 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.18) USER MOD Single : A 39 TYR OH : rot -100:sc= -1.99 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 57 SER OG : rot -21:sc= 0.0629 USER MOD Single : A 58 CYS SG : rot 180:sc= 0.00129 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 106:sc= 1.2 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.547 K(o=-0.55,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.0658 X(o=-0.066,f=-0.32) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.64 K(o=-2.6,f=-1.3) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.452 15.635 25.862 1.00 0.00 N ATOM 2 CA GLY A 1 -1.077 14.583 26.645 1.00 0.00 C ATOM 3 C GLY A 1 -2.262 13.972 25.893 1.00 0.00 C ATOM 4 O GLY A 1 -2.112 13.501 24.767 1.00 0.00 O ATOM 0 H1 GLY A 1 0.349 16.034 26.393 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.109 15.241 24.962 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.147 16.384 25.670 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.345 13.807 26.869 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.416 14.987 27.599 1.00 0.00 H new ATOM 8 N SER A 2 -3.413 13.998 26.549 1.00 0.00 N ATOM 9 CA SER A 2 -4.623 13.453 25.958 1.00 0.00 C ATOM 10 C SER A 2 -5.671 14.556 25.795 1.00 0.00 C ATOM 11 O SER A 2 -6.275 14.991 26.774 1.00 0.00 O ATOM 12 CB SER A 2 -5.184 12.309 26.806 1.00 0.00 C ATOM 13 OG SER A 2 -4.467 11.094 26.605 1.00 0.00 O ATOM 0 H SER A 2 -3.533 14.388 27.484 1.00 0.00 H new ATOM 0 HA SER A 2 -4.372 13.052 24.976 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.142 12.585 27.860 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.234 12.155 26.558 1.00 0.00 H new ATOM 0 HG SER A 2 -4.854 10.389 27.165 1.00 0.00 H new ATOM 19 N SER A 3 -5.852 14.977 24.552 1.00 0.00 N ATOM 20 CA SER A 3 -6.816 16.022 24.250 1.00 0.00 C ATOM 21 C SER A 3 -7.583 15.672 22.973 1.00 0.00 C ATOM 22 O SER A 3 -7.013 15.673 21.882 1.00 0.00 O ATOM 23 CB SER A 3 -6.128 17.379 24.100 1.00 0.00 C ATOM 24 OG SER A 3 -6.114 18.109 25.324 1.00 0.00 O ATOM 0 H SER A 3 -5.348 14.614 23.743 1.00 0.00 H new ATOM 0 HA SER A 3 -7.518 16.091 25.081 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.105 17.230 23.755 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.641 17.963 23.336 1.00 0.00 H new ATOM 0 HG SER A 3 -5.665 18.969 25.187 1.00 0.00 H new ATOM 30 N GLY A 4 -8.864 15.382 23.150 1.00 0.00 N ATOM 31 CA GLY A 4 -9.714 15.031 22.026 1.00 0.00 C ATOM 32 C GLY A 4 -9.592 16.063 20.903 1.00 0.00 C ATOM 33 O GLY A 4 -10.029 17.204 21.054 1.00 0.00 O ATOM 0 H GLY A 4 -9.333 15.383 24.056 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.438 14.046 21.651 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.751 14.968 22.356 1.00 0.00 H new ATOM 37 N SER A 5 -8.997 15.626 19.804 1.00 0.00 N ATOM 38 CA SER A 5 -8.812 16.499 18.655 1.00 0.00 C ATOM 39 C SER A 5 -8.609 15.663 17.391 1.00 0.00 C ATOM 40 O SER A 5 -8.314 14.471 17.470 1.00 0.00 O ATOM 41 CB SER A 5 -7.625 17.441 18.866 1.00 0.00 C ATOM 42 OG SER A 5 -7.930 18.778 18.476 1.00 0.00 O ATOM 0 H SER A 5 -8.636 14.680 19.683 1.00 0.00 H new ATOM 0 HA SER A 5 -9.708 17.108 18.539 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.333 17.427 19.916 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.770 17.082 18.293 1.00 0.00 H new ATOM 0 HG SER A 5 -7.148 19.349 18.627 1.00 0.00 H new ATOM 48 N SER A 6 -8.776 16.320 16.252 1.00 0.00 N ATOM 49 CA SER A 6 -8.614 15.652 14.972 1.00 0.00 C ATOM 50 C SER A 6 -9.547 14.443 14.892 1.00 0.00 C ATOM 51 O SER A 6 -10.147 14.050 15.890 1.00 0.00 O ATOM 52 CB SER A 6 -7.163 15.218 14.756 1.00 0.00 C ATOM 53 OG SER A 6 -6.277 16.333 14.682 1.00 0.00 O ATOM 0 H SER A 6 -9.022 17.308 16.189 1.00 0.00 H new ATOM 0 HA SER A 6 -8.874 16.357 14.183 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.855 14.564 15.572 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.092 14.637 13.837 1.00 0.00 H new ATOM 0 HG SER A 6 -5.394 16.072 15.019 1.00 0.00 H new ATOM 59 N GLY A 7 -9.638 13.885 13.693 1.00 0.00 N ATOM 60 CA GLY A 7 -10.488 12.727 13.469 1.00 0.00 C ATOM 61 C GLY A 7 -9.970 11.510 14.236 1.00 0.00 C ATOM 62 O GLY A 7 -10.117 11.431 15.455 1.00 0.00 O ATOM 0 H GLY A 7 -9.137 14.213 12.867 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.507 12.953 13.784 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.526 12.500 12.404 1.00 0.00 H new ATOM 66 N SER A 8 -9.374 10.591 13.491 1.00 0.00 N ATOM 67 CA SER A 8 -8.832 9.381 14.085 1.00 0.00 C ATOM 68 C SER A 8 -7.387 9.617 14.527 1.00 0.00 C ATOM 69 O SER A 8 -7.034 9.354 15.676 1.00 0.00 O ATOM 70 CB SER A 8 -8.903 8.207 13.107 1.00 0.00 C ATOM 71 OG SER A 8 -10.249 7.842 12.808 1.00 0.00 O ATOM 0 H SER A 8 -9.254 10.660 12.480 1.00 0.00 H new ATOM 0 HA SER A 8 -9.435 9.129 14.957 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.386 8.471 12.185 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.380 7.350 13.531 1.00 0.00 H new ATOM 0 HG SER A 8 -10.252 7.090 12.179 1.00 0.00 H new ATOM 77 N GLU A 9 -6.588 10.108 13.591 1.00 0.00 N ATOM 78 CA GLU A 9 -5.188 10.382 13.869 1.00 0.00 C ATOM 79 C GLU A 9 -4.783 11.733 13.276 1.00 0.00 C ATOM 80 O GLU A 9 -5.626 12.608 13.083 1.00 0.00 O ATOM 81 CB GLU A 9 -4.295 9.260 13.339 1.00 0.00 C ATOM 82 CG GLU A 9 -3.315 8.784 14.414 1.00 0.00 C ATOM 83 CD GLU A 9 -1.883 9.204 14.075 1.00 0.00 C ATOM 84 OE1 GLU A 9 -1.602 9.338 12.864 1.00 0.00 O ATOM 85 OE2 GLU A 9 -1.101 9.382 15.035 1.00 0.00 O ATOM 0 H GLU A 9 -6.884 10.323 12.639 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.054 10.428 14.950 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.912 8.424 13.009 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.742 9.611 12.468 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.600 9.199 15.381 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.368 7.699 14.505 1.00 0.00 H new ATOM 92 N GLU A 10 -3.493 11.860 13.001 1.00 0.00 N ATOM 93 CA GLU A 10 -2.966 13.089 12.434 1.00 0.00 C ATOM 94 C GLU A 10 -2.118 12.782 11.198 1.00 0.00 C ATOM 95 O GLU A 10 -0.943 12.436 11.318 1.00 0.00 O ATOM 96 CB GLU A 10 -2.160 13.871 13.472 1.00 0.00 C ATOM 97 CG GLU A 10 -2.957 15.067 13.998 1.00 0.00 C ATOM 98 CD GLU A 10 -2.716 15.270 15.495 1.00 0.00 C ATOM 99 OE1 GLU A 10 -3.172 14.399 16.267 1.00 0.00 O ATOM 100 OE2 GLU A 10 -2.081 16.292 15.835 1.00 0.00 O ATOM 0 H GLU A 10 -2.797 11.131 13.161 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.805 13.714 12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.893 13.215 14.300 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.227 14.218 13.027 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.670 15.967 13.454 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.020 14.909 13.815 1.00 0.00 H new ATOM 107 N ASP A 11 -2.746 12.919 10.039 1.00 0.00 N ATOM 108 CA ASP A 11 -2.062 12.660 8.783 1.00 0.00 C ATOM 109 C ASP A 11 -1.208 13.874 8.412 1.00 0.00 C ATOM 110 O ASP A 11 -1.422 14.970 8.929 1.00 0.00 O ATOM 111 CB ASP A 11 -3.064 12.424 7.650 1.00 0.00 C ATOM 112 CG ASP A 11 -4.285 13.346 7.663 1.00 0.00 C ATOM 113 OD1 ASP A 11 -4.159 14.462 7.113 1.00 0.00 O ATOM 114 OD2 ASP A 11 -5.315 12.916 8.223 1.00 0.00 O ATOM 0 H ASP A 11 -3.720 13.206 9.943 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.445 11.771 8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.547 12.544 6.698 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.407 11.391 7.699 1.00 0.00 H new ATOM 119 N ASP A 12 -0.256 13.637 7.522 1.00 0.00 N ATOM 120 CA ASP A 12 0.632 14.698 7.076 1.00 0.00 C ATOM 121 C ASP A 12 0.374 14.987 5.597 1.00 0.00 C ATOM 122 O ASP A 12 -0.607 14.508 5.029 1.00 0.00 O ATOM 123 CB ASP A 12 2.098 14.289 7.230 1.00 0.00 C ATOM 124 CG ASP A 12 3.004 15.348 7.860 1.00 0.00 C ATOM 125 OD1 ASP A 12 3.385 16.282 7.121 1.00 0.00 O ATOM 126 OD2 ASP A 12 3.294 15.203 9.067 1.00 0.00 O ATOM 0 H ASP A 12 -0.080 12.726 7.098 1.00 0.00 H new ATOM 0 HA ASP A 12 0.437 15.580 7.687 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.145 13.385 7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.493 14.033 6.247 1.00 0.00 H new ATOM 131 N GLU A 13 1.271 15.767 5.014 1.00 0.00 N ATOM 132 CA GLU A 13 1.153 16.125 3.611 1.00 0.00 C ATOM 133 C GLU A 13 1.679 14.992 2.727 1.00 0.00 C ATOM 134 O GLU A 13 1.289 14.872 1.567 1.00 0.00 O ATOM 135 CB GLU A 13 1.884 17.436 3.314 1.00 0.00 C ATOM 136 CG GLU A 13 1.136 18.629 3.913 1.00 0.00 C ATOM 137 CD GLU A 13 -0.224 18.819 3.238 1.00 0.00 C ATOM 138 OE1 GLU A 13 -0.218 19.233 2.058 1.00 0.00 O ATOM 139 OE2 GLU A 13 -1.237 18.544 3.915 1.00 0.00 O ATOM 0 H GLU A 13 2.084 16.162 5.488 1.00 0.00 H new ATOM 0 HA GLU A 13 0.098 16.277 3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.894 17.394 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.980 17.567 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.996 18.475 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.733 19.533 3.796 1.00 0.00 H new ATOM 146 N VAL A 14 2.557 14.190 3.311 1.00 0.00 N ATOM 147 CA VAL A 14 3.141 13.070 2.592 1.00 0.00 C ATOM 148 C VAL A 14 2.139 11.916 2.553 1.00 0.00 C ATOM 149 O VAL A 14 2.007 11.237 1.535 1.00 0.00 O ATOM 150 CB VAL A 14 4.478 12.681 3.226 1.00 0.00 C ATOM 151 CG1 VAL A 14 4.263 11.961 4.558 1.00 0.00 C ATOM 152 CG2 VAL A 14 5.311 11.827 2.269 1.00 0.00 C ATOM 0 H VAL A 14 2.878 14.293 4.274 1.00 0.00 H new ATOM 0 HA VAL A 14 3.355 13.349 1.560 1.00 0.00 H new ATOM 0 HB VAL A 14 5.033 13.597 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.229 11.695 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.728 12.618 5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.678 11.056 4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.256 11.564 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.763 10.917 2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.508 12.390 1.357 1.00 0.00 H new ATOM 162 N VAL A 15 1.459 11.727 3.674 1.00 0.00 N ATOM 163 CA VAL A 15 0.471 10.666 3.781 1.00 0.00 C ATOM 164 C VAL A 15 -0.605 10.867 2.712 1.00 0.00 C ATOM 165 O VAL A 15 -0.863 9.971 1.910 1.00 0.00 O ATOM 166 CB VAL A 15 -0.096 10.621 5.201 1.00 0.00 C ATOM 167 CG1 VAL A 15 -1.395 9.813 5.247 1.00 0.00 C ATOM 168 CG2 VAL A 15 0.933 10.062 6.186 1.00 0.00 C ATOM 0 H VAL A 15 1.572 12.291 4.517 1.00 0.00 H new ATOM 0 HA VAL A 15 0.931 9.695 3.599 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.326 11.643 5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.777 9.797 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.133 10.273 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.201 8.793 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.504 10.041 7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.209 9.050 5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.820 10.696 6.184 1.00 0.00 H new ATOM 178 N ALA A 16 -1.205 12.048 2.737 1.00 0.00 N ATOM 179 CA ALA A 16 -2.248 12.377 1.781 1.00 0.00 C ATOM 180 C ALA A 16 -1.746 12.086 0.365 1.00 0.00 C ATOM 181 O ALA A 16 -2.525 11.707 -0.508 1.00 0.00 O ATOM 182 CB ALA A 16 -2.664 13.839 1.963 1.00 0.00 C ATOM 0 H ALA A 16 -0.989 12.789 3.404 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.132 11.762 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.447 14.087 1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.039 13.987 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.802 14.486 1.797 1.00 0.00 H new ATOM 188 N MET A 17 -0.448 12.274 0.181 1.00 0.00 N ATOM 189 CA MET A 17 0.167 12.036 -1.114 1.00 0.00 C ATOM 190 C MET A 17 0.021 10.571 -1.528 1.00 0.00 C ATOM 191 O MET A 17 -0.544 10.272 -2.579 1.00 0.00 O ATOM 192 CB MET A 17 1.650 12.404 -1.050 1.00 0.00 C ATOM 193 CG MET A 17 2.042 13.307 -2.221 1.00 0.00 C ATOM 194 SD MET A 17 2.993 14.697 -1.629 1.00 0.00 S ATOM 195 CE MET A 17 4.640 14.141 -2.035 1.00 0.00 C ATOM 0 H MET A 17 0.195 12.589 0.907 1.00 0.00 H new ATOM 0 HA MET A 17 -0.338 12.656 -1.855 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.862 12.911 -0.109 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.254 11.497 -1.067 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.624 12.741 -2.948 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.147 13.660 -2.734 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.325 14.989 -2.017 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.963 13.398 -1.306 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.639 13.696 -3.030 1.00 0.00 H new ATOM 205 N ILE A 18 0.543 9.695 -0.682 1.00 0.00 N ATOM 206 CA ILE A 18 0.479 8.267 -0.947 1.00 0.00 C ATOM 207 C ILE A 18 -0.974 7.869 -1.217 1.00 0.00 C ATOM 208 O ILE A 18 -1.271 7.243 -2.234 1.00 0.00 O ATOM 209 CB ILE A 18 1.132 7.481 0.191 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.641 7.728 0.234 1.00 0.00 C ATOM 211 CG2 ILE A 18 0.798 5.991 0.089 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.109 8.013 1.662 1.00 0.00 C ATOM 0 H ILE A 18 1.012 9.946 0.188 1.00 0.00 H new ATOM 0 HA ILE A 18 1.050 8.018 -1.842 1.00 0.00 H new ATOM 0 HB ILE A 18 0.721 7.840 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.167 6.857 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.894 8.570 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.274 5.454 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.282 5.856 0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.164 5.600 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.185 8.185 1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.599 8.898 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.877 7.159 2.298 1.00 0.00 H new ATOM 224 N LYS A 19 -1.840 8.246 -0.288 1.00 0.00 N ATOM 225 CA LYS A 19 -3.253 7.935 -0.412 1.00 0.00 C ATOM 226 C LYS A 19 -3.673 8.069 -1.878 1.00 0.00 C ATOM 227 O LYS A 19 -4.307 7.170 -2.430 1.00 0.00 O ATOM 228 CB LYS A 19 -4.079 8.800 0.544 1.00 0.00 C ATOM 229 CG LYS A 19 -3.751 8.468 2.002 1.00 0.00 C ATOM 230 CD LYS A 19 -4.676 9.226 2.956 1.00 0.00 C ATOM 231 CE LYS A 19 -4.859 8.459 4.267 1.00 0.00 C ATOM 232 NZ LYS A 19 -5.351 9.361 5.332 1.00 0.00 N ATOM 0 H LYS A 19 -1.590 8.764 0.554 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.443 6.903 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.878 9.854 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.141 8.640 0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.852 7.395 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.713 8.726 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.262 10.213 3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.646 9.380 2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.564 7.641 4.121 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.912 8.013 4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.470 8.824 6.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.664 10.127 5.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.266 9.767 5.048 1.00 0.00 H new ATOM 246 N GLU A 20 -3.303 9.195 -2.467 1.00 0.00 N ATOM 247 CA GLU A 20 -3.633 9.458 -3.858 1.00 0.00 C ATOM 248 C GLU A 20 -3.058 8.360 -4.755 1.00 0.00 C ATOM 249 O GLU A 20 -3.802 7.662 -5.443 1.00 0.00 O ATOM 250 CB GLU A 20 -3.132 10.837 -4.289 1.00 0.00 C ATOM 251 CG GLU A 20 -4.293 11.824 -4.428 1.00 0.00 C ATOM 252 CD GLU A 20 -4.829 12.235 -3.055 1.00 0.00 C ATOM 253 OE1 GLU A 20 -5.201 11.317 -2.294 1.00 0.00 O ATOM 254 OE2 GLU A 20 -4.855 13.457 -2.799 1.00 0.00 O ATOM 0 H GLU A 20 -2.777 9.938 -2.006 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.718 9.454 -3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.416 11.213 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.604 10.755 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.961 12.708 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.093 11.371 -5.014 1.00 0.00 H new ATOM 261 N LEU A 21 -1.739 8.241 -4.720 1.00 0.00 N ATOM 262 CA LEU A 21 -1.056 7.240 -5.522 1.00 0.00 C ATOM 263 C LEU A 21 -1.668 5.866 -5.244 1.00 0.00 C ATOM 264 O LEU A 21 -1.525 4.945 -6.047 1.00 0.00 O ATOM 265 CB LEU A 21 0.454 7.300 -5.282 1.00 0.00 C ATOM 266 CG LEU A 21 1.317 7.598 -6.510 1.00 0.00 C ATOM 267 CD1 LEU A 21 2.797 7.681 -6.134 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.064 6.574 -7.619 1.00 0.00 C ATOM 0 H LEU A 21 -1.125 8.821 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.195 7.443 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.652 8.063 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.773 6.347 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 21 1.029 8.574 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.387 7.894 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.943 8.477 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.117 6.732 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.690 6.808 -8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.307 5.576 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.015 6.608 -7.913 1.00 0.00 H new ATOM 280 N LEU A 22 -2.336 5.771 -4.103 1.00 0.00 N ATOM 281 CA LEU A 22 -2.972 4.525 -3.710 1.00 0.00 C ATOM 282 C LEU A 22 -4.382 4.466 -4.299 1.00 0.00 C ATOM 283 O LEU A 22 -4.871 3.392 -4.643 1.00 0.00 O ATOM 284 CB LEU A 22 -2.933 4.361 -2.189 1.00 0.00 C ATOM 285 CG LEU A 22 -1.629 3.812 -1.606 1.00 0.00 C ATOM 286 CD1 LEU A 22 -1.652 2.283 -1.555 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.418 4.342 -2.376 1.00 0.00 C ATOM 0 H LEU A 22 -2.450 6.536 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.424 3.674 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.131 5.331 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.747 3.699 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.538 4.167 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.714 1.919 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.481 1.952 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.778 1.887 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.496 3.937 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.489 4.038 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.396 5.430 -2.316 1.00 0.00 H new ATOM 299 N ASP A 23 -4.996 5.637 -4.397 1.00 0.00 N ATOM 300 CA ASP A 23 -6.341 5.733 -4.940 1.00 0.00 C ATOM 301 C ASP A 23 -6.266 5.827 -6.464 1.00 0.00 C ATOM 302 O ASP A 23 -7.198 5.427 -7.161 1.00 0.00 O ATOM 303 CB ASP A 23 -7.055 6.984 -4.423 1.00 0.00 C ATOM 304 CG ASP A 23 -8.143 6.722 -3.379 1.00 0.00 C ATOM 305 OD1 ASP A 23 -8.847 5.703 -3.537 1.00 0.00 O ATOM 306 OD2 ASP A 23 -8.244 7.549 -2.447 1.00 0.00 O ATOM 0 H ASP A 23 -4.587 6.526 -4.110 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.894 4.847 -4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.313 7.656 -3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.503 7.505 -5.270 1.00 0.00 H new ATOM 311 N THR A 24 -5.149 6.359 -6.939 1.00 0.00 N ATOM 312 CA THR A 24 -4.941 6.510 -8.368 1.00 0.00 C ATOM 313 C THR A 24 -5.293 5.213 -9.099 1.00 0.00 C ATOM 314 O THR A 24 -6.464 4.941 -9.356 1.00 0.00 O ATOM 315 CB THR A 24 -3.495 6.959 -8.590 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.766 6.308 -7.553 1.00 0.00 O ATOM 317 CG2 THR A 24 -3.294 8.449 -8.309 1.00 0.00 C ATOM 0 H THR A 24 -4.379 6.691 -6.359 1.00 0.00 H new ATOM 0 HA THR A 24 -5.601 7.270 -8.785 1.00 0.00 H new ATOM 0 HB THR A 24 -3.202 6.741 -9.617 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.112 5.695 -7.948 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.251 8.714 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.932 9.034 -8.972 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.556 8.662 -7.273 1.00 0.00 H new ATOM 325 N ARG A 25 -4.258 4.448 -9.413 1.00 0.00 N ATOM 326 CA ARG A 25 -4.444 3.186 -10.109 1.00 0.00 C ATOM 327 C ARG A 25 -3.772 2.050 -9.336 1.00 0.00 C ATOM 328 O ARG A 25 -3.151 1.172 -9.932 1.00 0.00 O ATOM 329 CB ARG A 25 -3.862 3.246 -11.523 1.00 0.00 C ATOM 330 CG ARG A 25 -4.761 4.066 -12.451 1.00 0.00 C ATOM 331 CD ARG A 25 -4.433 3.785 -13.919 1.00 0.00 C ATOM 332 NE ARG A 25 -5.448 4.414 -14.793 1.00 0.00 N ATOM 333 CZ ARG A 25 -5.417 4.369 -16.133 1.00 0.00 C ATOM 334 NH1 ARG A 25 -4.423 3.726 -16.758 1.00 0.00 N ATOM 335 NH2 ARG A 25 -6.381 4.969 -16.845 1.00 0.00 N ATOM 0 H ARG A 25 -3.288 4.678 -9.198 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.516 2.999 -10.177 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.866 3.688 -11.492 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.751 2.236 -11.918 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.806 3.827 -12.256 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.633 5.128 -12.243 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.443 4.173 -14.160 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.406 2.710 -14.095 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.219 4.913 -14.349 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.689 3.270 -16.215 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.399 3.692 -17.777 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.137 5.459 -16.368 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.358 4.935 -17.864 1.00 0.00 H new ATOM 349 N ILE A 26 -3.920 2.103 -8.021 1.00 0.00 N ATOM 350 CA ILE A 26 -3.335 1.089 -7.161 1.00 0.00 C ATOM 351 C ILE A 26 -4.453 0.279 -6.501 1.00 0.00 C ATOM 352 O ILE A 26 -4.616 -0.907 -6.785 1.00 0.00 O ATOM 353 CB ILE A 26 -2.367 1.726 -6.161 1.00 0.00 C ATOM 354 CG1 ILE A 26 -1.159 2.332 -6.879 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.950 0.722 -5.084 1.00 0.00 C ATOM 356 CD1 ILE A 26 -0.096 2.784 -5.877 1.00 0.00 C ATOM 0 H ILE A 26 -4.437 2.833 -7.530 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.738 0.392 -7.748 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.885 2.541 -5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.731 1.598 -7.562 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.479 3.181 -7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.262 1.201 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.833 0.379 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.457 -0.130 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.752 3.211 -6.413 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.520 3.536 -5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.239 1.928 -5.291 1.00 0.00 H new ATOM 368 N ARG A 27 -5.194 0.951 -5.633 1.00 0.00 N ATOM 369 CA ARG A 27 -6.293 0.308 -4.931 1.00 0.00 C ATOM 370 C ARG A 27 -7.350 -0.172 -5.928 1.00 0.00 C ATOM 371 O ARG A 27 -7.789 -1.319 -5.868 1.00 0.00 O ATOM 372 CB ARG A 27 -6.942 1.266 -3.930 1.00 0.00 C ATOM 373 CG ARG A 27 -8.462 1.085 -3.904 1.00 0.00 C ATOM 374 CD ARG A 27 -9.104 1.992 -2.853 1.00 0.00 C ATOM 375 NE ARG A 27 -10.088 1.225 -2.057 1.00 0.00 N ATOM 376 CZ ARG A 27 -10.999 1.785 -1.249 1.00 0.00 C ATOM 377 NH1 ARG A 27 -11.057 3.117 -1.125 1.00 0.00 N ATOM 378 NH2 ARG A 27 -11.853 1.010 -0.565 1.00 0.00 N ATOM 0 H ARG A 27 -5.056 1.934 -5.399 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.887 -0.545 -4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.534 1.089 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.699 2.295 -4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.876 1.312 -4.887 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.704 0.044 -3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.336 2.404 -2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.595 2.835 -3.339 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.072 0.208 -2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.408 3.706 -1.646 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.751 3.542 -0.510 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.809 -0.005 -0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.547 1.435 0.050 1.00 0.00 H new ATOM 392 N PRO A 28 -7.742 0.755 -6.843 1.00 0.00 N ATOM 393 CA PRO A 28 -8.739 0.438 -7.849 1.00 0.00 C ATOM 394 C PRO A 28 -8.147 -0.448 -8.948 1.00 0.00 C ATOM 395 O PRO A 28 -8.862 -0.883 -9.851 1.00 0.00 O ATOM 396 CB PRO A 28 -9.218 1.785 -8.367 1.00 0.00 C ATOM 397 CG PRO A 28 -8.147 2.789 -7.969 1.00 0.00 C ATOM 398 CD PRO A 28 -7.244 2.124 -6.942 1.00 0.00 C ATOM 0 HA PRO A 28 -9.572 -0.139 -7.448 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.350 1.763 -9.449 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.182 2.050 -7.933 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.571 3.098 -8.841 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.602 3.688 -7.552 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.201 2.144 -7.259 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.295 2.635 -5.980 1.00 0.00 H new ATOM 406 N THR A 29 -6.850 -0.688 -8.834 1.00 0.00 N ATOM 407 CA THR A 29 -6.155 -1.514 -9.807 1.00 0.00 C ATOM 408 C THR A 29 -6.079 -2.962 -9.320 1.00 0.00 C ATOM 409 O THR A 29 -6.211 -3.896 -10.110 1.00 0.00 O ATOM 410 CB THR A 29 -4.783 -0.888 -10.065 1.00 0.00 C ATOM 411 OG1 THR A 29 -5.034 0.097 -11.065 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.811 -1.861 -10.737 1.00 0.00 C ATOM 0 H THR A 29 -6.262 -0.326 -8.084 1.00 0.00 H new ATOM 0 HA THR A 29 -6.696 -1.550 -10.753 1.00 0.00 H new ATOM 0 HB THR A 29 -4.358 -0.544 -9.122 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.219 0.618 -11.223 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.853 -1.366 -10.897 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.667 -2.732 -10.097 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.220 -2.179 -11.696 1.00 0.00 H new ATOM 420 N VAL A 30 -5.866 -3.105 -8.020 1.00 0.00 N ATOM 421 CA VAL A 30 -5.771 -4.424 -7.417 1.00 0.00 C ATOM 422 C VAL A 30 -7.120 -5.134 -7.541 1.00 0.00 C ATOM 423 O VAL A 30 -7.174 -6.322 -7.856 1.00 0.00 O ATOM 424 CB VAL A 30 -5.288 -4.304 -5.970 1.00 0.00 C ATOM 425 CG1 VAL A 30 -5.350 -5.657 -5.259 1.00 0.00 C ATOM 426 CG2 VAL A 30 -3.876 -3.717 -5.910 1.00 0.00 C ATOM 0 H VAL A 30 -5.756 -2.329 -7.367 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.034 -5.032 -7.941 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.957 -3.620 -5.448 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.002 -5.545 -4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.378 -6.020 -5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.715 -6.372 -5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.557 -3.642 -4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.189 -4.365 -6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.875 -2.725 -6.362 1.00 0.00 H new ATOM 436 N GLN A 31 -8.177 -4.377 -7.285 1.00 0.00 N ATOM 437 CA GLN A 31 -9.522 -4.920 -7.363 1.00 0.00 C ATOM 438 C GLN A 31 -9.676 -5.781 -8.618 1.00 0.00 C ATOM 439 O GLN A 31 -10.079 -6.940 -8.535 1.00 0.00 O ATOM 440 CB GLN A 31 -10.567 -3.802 -7.333 1.00 0.00 C ATOM 441 CG GLN A 31 -10.547 -3.067 -5.992 1.00 0.00 C ATOM 442 CD GLN A 31 -11.418 -1.810 -6.042 1.00 0.00 C ATOM 443 OE1 GLN A 31 -12.460 -1.771 -6.675 1.00 0.00 O ATOM 444 NE2 GLN A 31 -10.934 -0.789 -5.342 1.00 0.00 N ATOM 0 H GLN A 31 -8.129 -3.392 -7.023 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.688 -5.552 -6.491 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.373 -3.097 -8.141 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.558 -4.221 -7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.905 -3.730 -5.204 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.523 -2.794 -5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.055 -0.890 -4.834 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.442 0.095 -5.312 1.00 0.00 H new ATOM 453 N GLU A 32 -9.345 -5.181 -9.753 1.00 0.00 N ATOM 454 CA GLU A 32 -9.441 -5.878 -11.023 1.00 0.00 C ATOM 455 C GLU A 32 -8.777 -7.253 -10.925 1.00 0.00 C ATOM 456 O GLU A 32 -9.202 -8.200 -11.587 1.00 0.00 O ATOM 457 CB GLU A 32 -8.823 -5.050 -12.151 1.00 0.00 C ATOM 458 CG GLU A 32 -9.896 -4.568 -13.130 1.00 0.00 C ATOM 459 CD GLU A 32 -9.269 -3.808 -14.300 1.00 0.00 C ATOM 460 OE1 GLU A 32 -9.078 -2.582 -14.143 1.00 0.00 O ATOM 461 OE2 GLU A 32 -8.995 -4.468 -15.325 1.00 0.00 O ATOM 0 H GLU A 32 -9.010 -4.220 -9.818 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.496 -6.021 -11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.297 -4.192 -11.731 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.083 -5.648 -12.683 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.460 -5.422 -13.506 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.604 -3.923 -12.610 1.00 0.00 H new ATOM 468 N ASP A 33 -7.748 -7.320 -10.096 1.00 0.00 N ATOM 469 CA ASP A 33 -7.020 -8.563 -9.902 1.00 0.00 C ATOM 470 C ASP A 33 -7.775 -9.441 -8.901 1.00 0.00 C ATOM 471 O ASP A 33 -8.293 -10.496 -9.262 1.00 0.00 O ATOM 472 CB ASP A 33 -5.621 -8.303 -9.342 1.00 0.00 C ATOM 473 CG ASP A 33 -4.513 -9.173 -9.938 1.00 0.00 C ATOM 474 OD1 ASP A 33 -4.358 -9.125 -11.177 1.00 0.00 O ATOM 475 OD2 ASP A 33 -3.846 -9.868 -9.141 1.00 0.00 O ATOM 0 H ASP A 33 -7.399 -6.533 -9.549 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.933 -9.056 -10.870 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.369 -7.256 -9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.643 -8.458 -8.263 1.00 0.00 H new ATOM 480 N GLY A 34 -7.814 -8.970 -7.663 1.00 0.00 N ATOM 481 CA GLY A 34 -8.496 -9.698 -6.607 1.00 0.00 C ATOM 482 C GLY A 34 -7.819 -9.467 -5.255 1.00 0.00 C ATOM 483 O GLY A 34 -7.219 -10.382 -4.694 1.00 0.00 O ATOM 0 H GLY A 34 -7.384 -8.093 -7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.537 -9.380 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.499 -10.763 -6.839 1.00 0.00 H new ATOM 487 N GLY A 35 -7.936 -8.239 -4.772 1.00 0.00 N ATOM 488 CA GLY A 35 -7.343 -7.877 -3.496 1.00 0.00 C ATOM 489 C GLY A 35 -7.854 -6.515 -3.021 1.00 0.00 C ATOM 490 O GLY A 35 -8.681 -5.892 -3.685 1.00 0.00 O ATOM 0 H GLY A 35 -8.433 -7.482 -5.241 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.579 -8.638 -2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.257 -7.850 -3.590 1.00 0.00 H new ATOM 494 N ASP A 36 -7.342 -6.094 -1.874 1.00 0.00 N ATOM 495 CA ASP A 36 -7.737 -4.818 -1.301 1.00 0.00 C ATOM 496 C ASP A 36 -6.554 -4.219 -0.537 1.00 0.00 C ATOM 497 O ASP A 36 -6.036 -4.835 0.393 1.00 0.00 O ATOM 498 CB ASP A 36 -8.896 -4.990 -0.319 1.00 0.00 C ATOM 499 CG ASP A 36 -8.821 -6.243 0.557 1.00 0.00 C ATOM 500 OD1 ASP A 36 -7.717 -6.825 0.621 1.00 0.00 O ATOM 501 OD2 ASP A 36 -9.870 -6.591 1.141 1.00 0.00 O ATOM 0 H ASP A 36 -6.657 -6.614 -1.326 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.050 -4.165 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.937 -4.114 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.829 -5.014 -0.882 1.00 0.00 H new ATOM 506 N VAL A 37 -6.161 -3.026 -0.958 1.00 0.00 N ATOM 507 CA VAL A 37 -5.050 -2.337 -0.324 1.00 0.00 C ATOM 508 C VAL A 37 -5.591 -1.368 0.729 1.00 0.00 C ATOM 509 O VAL A 37 -6.446 -0.536 0.432 1.00 0.00 O ATOM 510 CB VAL A 37 -4.188 -1.648 -1.386 1.00 0.00 C ATOM 511 CG1 VAL A 37 -4.823 -0.331 -1.836 1.00 0.00 C ATOM 512 CG2 VAL A 37 -2.764 -1.424 -0.873 1.00 0.00 C ATOM 0 H VAL A 37 -6.592 -2.519 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.403 -3.047 0.191 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.132 -2.306 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.191 0.138 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.808 -0.528 -2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.923 0.336 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.172 -0.933 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.793 -0.795 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.312 -2.384 -0.624 1.00 0.00 H new ATOM 522 N ILE A 38 -5.067 -1.507 1.938 1.00 0.00 N ATOM 523 CA ILE A 38 -5.486 -0.654 3.037 1.00 0.00 C ATOM 524 C ILE A 38 -4.249 -0.113 3.757 1.00 0.00 C ATOM 525 O ILE A 38 -3.703 -0.771 4.640 1.00 0.00 O ATOM 526 CB ILE A 38 -6.454 -1.401 3.956 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.382 -2.313 3.150 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.234 -0.426 4.841 1.00 0.00 C ATOM 529 CD1 ILE A 38 -6.751 -3.690 2.939 1.00 0.00 C ATOM 0 H ILE A 38 -4.356 -2.197 2.181 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.039 0.207 2.661 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.871 -2.040 4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.333 -2.421 3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.597 -1.856 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.915 -0.983 5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.538 0.143 5.457 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.806 0.257 4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.431 -4.318 2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.812 -3.581 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.559 -4.154 3.906 1.00 0.00 H new ATOM 541 N TYR A 39 -3.843 1.082 3.351 1.00 0.00 N ATOM 542 CA TYR A 39 -2.681 1.719 3.947 1.00 0.00 C ATOM 543 C TYR A 39 -2.967 2.147 5.388 1.00 0.00 C ATOM 544 O TYR A 39 -3.652 3.142 5.619 1.00 0.00 O ATOM 545 CB TYR A 39 -2.405 2.965 3.103 1.00 0.00 C ATOM 546 CG TYR A 39 -1.590 4.039 3.827 1.00 0.00 C ATOM 547 CD1 TYR A 39 -0.739 3.683 4.854 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.704 5.362 3.452 1.00 0.00 C ATOM 549 CE1 TYR A 39 0.029 4.694 5.535 1.00 0.00 C ATOM 550 CE2 TYR A 39 -0.936 6.372 4.133 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.108 5.988 5.141 1.00 0.00 C ATOM 552 OH TYR A 39 0.617 6.942 5.783 1.00 0.00 O ATOM 0 H TYR A 39 -4.298 1.625 2.617 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.835 1.031 3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.874 2.668 2.199 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.355 3.396 2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.649 2.647 5.147 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.369 5.640 2.648 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.698 4.430 6.340 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.016 7.411 3.850 1.00 0.00 H new ATOM 0 HH TYR A 39 0.050 7.396 6.441 1.00 0.00 H new ATOM 562 N ARG A 40 -2.429 1.373 6.319 1.00 0.00 N ATOM 563 CA ARG A 40 -2.618 1.659 7.730 1.00 0.00 C ATOM 564 C ARG A 40 -1.270 1.676 8.454 1.00 0.00 C ATOM 565 O ARG A 40 -0.795 0.639 8.913 1.00 0.00 O ATOM 566 CB ARG A 40 -3.528 0.617 8.386 1.00 0.00 C ATOM 567 CG ARG A 40 -4.836 0.463 7.608 1.00 0.00 C ATOM 568 CD ARG A 40 -5.757 1.663 7.843 1.00 0.00 C ATOM 569 NE ARG A 40 -7.114 1.367 7.331 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.015 2.303 7.005 1.00 0.00 C ATOM 571 NH1 ARG A 40 -7.709 3.601 7.135 1.00 0.00 N ATOM 572 NH2 ARG A 40 -9.222 1.941 6.548 1.00 0.00 N ATOM 0 H ARG A 40 -1.862 0.548 6.123 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.089 2.639 7.809 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.013 -0.343 8.432 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.744 0.913 9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.621 0.367 6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.341 -0.453 7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.803 1.894 8.907 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.355 2.544 7.343 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.380 0.389 7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.790 3.876 7.482 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.395 4.314 6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.454 0.953 6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.908 2.654 6.300 1.00 0.00 H new ATOM 586 N GLY A 41 -0.693 2.866 8.533 1.00 0.00 N ATOM 587 CA GLY A 41 0.591 3.032 9.192 1.00 0.00 C ATOM 588 C GLY A 41 1.705 3.270 8.171 1.00 0.00 C ATOM 589 O GLY A 41 1.753 2.610 7.133 1.00 0.00 O ATOM 0 H GLY A 41 -1.091 3.724 8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.542 3.872 9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.818 2.145 9.783 1.00 0.00 H new ATOM 593 N PHE A 42 2.574 4.214 8.500 1.00 0.00 N ATOM 594 CA PHE A 42 3.686 4.546 7.624 1.00 0.00 C ATOM 595 C PHE A 42 4.938 4.892 8.433 1.00 0.00 C ATOM 596 O PHE A 42 5.007 5.951 9.055 1.00 0.00 O ATOM 597 CB PHE A 42 3.264 5.772 6.812 1.00 0.00 C ATOM 598 CG PHE A 42 4.298 6.220 5.778 1.00 0.00 C ATOM 599 CD1 PHE A 42 4.275 5.699 4.522 1.00 0.00 C ATOM 600 CD2 PHE A 42 5.242 7.140 6.115 1.00 0.00 C ATOM 601 CE1 PHE A 42 5.235 6.114 3.563 1.00 0.00 C ATOM 602 CE2 PHE A 42 6.203 7.555 5.155 1.00 0.00 C ATOM 603 CZ PHE A 42 6.179 7.034 3.899 1.00 0.00 C ATOM 0 H PHE A 42 2.531 4.760 9.361 1.00 0.00 H new ATOM 0 HA PHE A 42 3.923 3.695 6.985 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.327 5.552 6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.068 6.598 7.496 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.526 4.969 4.254 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.261 7.555 7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.216 5.699 2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.953 8.285 5.423 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.909 7.351 3.169 1.00 0.00 H new ATOM 613 N GLU A 43 5.896 3.978 8.400 1.00 0.00 N ATOM 614 CA GLU A 43 7.141 4.172 9.123 1.00 0.00 C ATOM 615 C GLU A 43 8.330 3.755 8.254 1.00 0.00 C ATOM 616 O GLU A 43 8.200 2.884 7.395 1.00 0.00 O ATOM 617 CB GLU A 43 7.133 3.404 10.445 1.00 0.00 C ATOM 618 CG GLU A 43 6.397 4.192 11.532 1.00 0.00 C ATOM 619 CD GLU A 43 7.370 5.061 12.332 1.00 0.00 C ATOM 620 OE1 GLU A 43 8.133 5.807 11.680 1.00 0.00 O ATOM 621 OE2 GLU A 43 7.328 4.962 13.577 1.00 0.00 O ATOM 0 H GLU A 43 5.835 3.101 7.884 1.00 0.00 H new ATOM 0 HA GLU A 43 7.241 5.232 9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.653 2.436 10.304 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.157 3.209 10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.632 4.821 11.076 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.884 3.502 12.202 1.00 0.00 H new ATOM 628 N ASP A 44 9.461 4.396 8.508 1.00 0.00 N ATOM 629 CA ASP A 44 10.672 4.102 7.760 1.00 0.00 C ATOM 630 C ASP A 44 10.317 3.892 6.287 1.00 0.00 C ATOM 631 O ASP A 44 10.991 3.140 5.584 1.00 0.00 O ATOM 632 CB ASP A 44 11.339 2.824 8.272 1.00 0.00 C ATOM 633 CG ASP A 44 12.761 2.587 7.760 1.00 0.00 C ATOM 634 OD1 ASP A 44 13.655 3.347 8.194 1.00 0.00 O ATOM 635 OD2 ASP A 44 12.923 1.653 6.945 1.00 0.00 O ATOM 0 H ASP A 44 9.565 5.118 9.221 1.00 0.00 H new ATOM 0 HA ASP A 44 11.357 4.941 7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.362 2.855 9.361 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.721 1.972 7.990 1.00 0.00 H new ATOM 640 N GLY A 45 9.260 4.569 5.863 1.00 0.00 N ATOM 641 CA GLY A 45 8.808 4.466 4.486 1.00 0.00 C ATOM 642 C GLY A 45 7.878 3.264 4.302 1.00 0.00 C ATOM 643 O GLY A 45 6.861 3.360 3.617 1.00 0.00 O ATOM 0 H GLY A 45 8.703 5.191 6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.287 5.380 4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.668 4.370 3.823 1.00 0.00 H new ATOM 647 N ILE A 46 8.260 2.161 4.928 1.00 0.00 N ATOM 648 CA ILE A 46 7.475 0.942 4.842 1.00 0.00 C ATOM 649 C ILE A 46 5.994 1.280 5.029 1.00 0.00 C ATOM 650 O ILE A 46 5.537 1.484 6.153 1.00 0.00 O ATOM 651 CB ILE A 46 7.995 -0.103 5.831 1.00 0.00 C ATOM 652 CG1 ILE A 46 9.424 -0.524 5.481 1.00 0.00 C ATOM 653 CG2 ILE A 46 7.048 -1.302 5.912 1.00 0.00 C ATOM 654 CD1 ILE A 46 9.436 -1.490 4.294 1.00 0.00 C ATOM 0 H ILE A 46 9.103 2.086 5.497 1.00 0.00 H new ATOM 0 HA ILE A 46 7.579 0.492 3.855 1.00 0.00 H new ATOM 0 HB ILE A 46 8.025 0.350 6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.019 0.358 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.889 -0.998 6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.442 -2.029 6.622 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.065 -0.967 6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.962 -1.765 4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.463 -1.773 4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.861 -2.381 4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.992 -1.004 3.425 1.00 0.00 H new ATOM 666 N VAL A 47 5.286 1.332 3.911 1.00 0.00 N ATOM 667 CA VAL A 47 3.867 1.643 3.938 1.00 0.00 C ATOM 668 C VAL A 47 3.081 0.391 4.332 1.00 0.00 C ATOM 669 O VAL A 47 3.046 -0.586 3.583 1.00 0.00 O ATOM 670 CB VAL A 47 3.432 2.221 2.589 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.955 2.618 2.613 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.311 3.409 2.193 1.00 0.00 C ATOM 0 H VAL A 47 5.668 1.164 2.980 1.00 0.00 H new ATOM 0 HA VAL A 47 3.659 2.407 4.687 1.00 0.00 H new ATOM 0 HB VAL A 47 3.558 1.444 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.672 3.026 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.346 1.740 2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.793 3.371 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.981 3.801 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.231 4.189 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.349 3.084 2.116 1.00 0.00 H new ATOM 682 N ARG A 48 2.471 0.458 5.506 1.00 0.00 N ATOM 683 CA ARG A 48 1.689 -0.658 6.008 1.00 0.00 C ATOM 684 C ARG A 48 0.370 -0.771 5.241 1.00 0.00 C ATOM 685 O ARG A 48 -0.514 0.071 5.392 1.00 0.00 O ATOM 686 CB ARG A 48 1.391 -0.495 7.500 1.00 0.00 C ATOM 687 CG ARG A 48 2.488 -1.134 8.353 1.00 0.00 C ATOM 688 CD ARG A 48 2.109 -1.123 9.835 1.00 0.00 C ATOM 689 NE ARG A 48 3.030 -0.245 10.587 1.00 0.00 N ATOM 690 CZ ARG A 48 4.237 -0.625 11.030 1.00 0.00 C ATOM 691 NH1 ARG A 48 4.673 -1.870 10.799 1.00 0.00 N ATOM 692 NH2 ARG A 48 5.006 0.240 11.705 1.00 0.00 N ATOM 0 H ARG A 48 2.503 1.269 6.124 1.00 0.00 H new ATOM 0 HA ARG A 48 2.276 -1.565 5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.307 0.564 7.744 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.430 -0.953 7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.657 -2.160 8.025 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.425 -0.595 8.210 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.083 -0.774 9.954 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.150 -2.135 10.237 1.00 0.00 H new ATOM 0 HE ARG A 48 2.728 0.710 10.781 1.00 0.00 H new ATOM 0 HH11 ARG A 48 4.087 -2.529 10.286 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.591 -2.160 11.136 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.673 1.188 11.882 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.924 -0.049 12.042 1.00 0.00 H new ATOM 706 N LEU A 49 0.279 -1.817 4.433 1.00 0.00 N ATOM 707 CA LEU A 49 -0.916 -2.051 3.642 1.00 0.00 C ATOM 708 C LEU A 49 -1.360 -3.505 3.813 1.00 0.00 C ATOM 709 O LEU A 49 -0.544 -4.421 3.726 1.00 0.00 O ATOM 710 CB LEU A 49 -0.681 -1.646 2.185 1.00 0.00 C ATOM 711 CG LEU A 49 0.230 -0.438 1.962 1.00 0.00 C ATOM 712 CD1 LEU A 49 1.361 -0.777 0.990 1.00 0.00 C ATOM 713 CD2 LEU A 49 -0.575 0.780 1.504 1.00 0.00 C ATOM 0 H LEU A 49 1.015 -2.513 4.309 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.735 -1.425 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.256 -2.499 1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.648 -1.436 1.727 1.00 0.00 H new ATOM 0 HG LEU A 49 0.691 -0.178 2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.994 0.099 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.957 -1.594 1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.939 -1.078 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.097 1.625 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.084 0.549 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.313 1.035 2.264 1.00 0.00 H new ATOM 725 N LYS A 50 -2.652 -3.671 4.052 1.00 0.00 N ATOM 726 CA LYS A 50 -3.215 -4.998 4.237 1.00 0.00 C ATOM 727 C LYS A 50 -3.724 -5.523 2.892 1.00 0.00 C ATOM 728 O LYS A 50 -4.931 -5.640 2.684 1.00 0.00 O ATOM 729 CB LYS A 50 -4.281 -4.981 5.333 1.00 0.00 C ATOM 730 CG LYS A 50 -4.856 -6.381 5.562 1.00 0.00 C ATOM 731 CD LYS A 50 -5.774 -6.404 6.785 1.00 0.00 C ATOM 732 CE LYS A 50 -7.094 -5.688 6.494 1.00 0.00 C ATOM 733 NZ LYS A 50 -7.641 -5.087 7.730 1.00 0.00 N ATOM 0 H LYS A 50 -3.326 -2.908 4.122 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.448 -5.692 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.848 -4.606 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.082 -4.296 5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.412 -6.698 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.043 -7.094 5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.972 -7.436 7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.275 -5.926 7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.936 -4.912 5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.813 -6.393 6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.537 -4.605 7.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.810 -5.834 8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.961 -4.399 8.112 1.00 0.00 H new ATOM 747 N LEU A 51 -2.779 -5.824 2.014 1.00 0.00 N ATOM 748 CA LEU A 51 -3.116 -6.332 0.696 1.00 0.00 C ATOM 749 C LEU A 51 -3.231 -7.857 0.756 1.00 0.00 C ATOM 750 O LEU A 51 -2.574 -8.501 1.573 1.00 0.00 O ATOM 751 CB LEU A 51 -2.113 -5.832 -0.345 1.00 0.00 C ATOM 752 CG LEU A 51 -1.029 -6.828 -0.764 1.00 0.00 C ATOM 753 CD1 LEU A 51 -1.390 -7.506 -2.088 1.00 0.00 C ATOM 754 CD2 LEU A 51 0.343 -6.154 -0.821 1.00 0.00 C ATOM 0 H LEU A 51 -1.779 -5.726 2.190 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.086 -5.950 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.664 -5.529 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.626 -4.939 0.048 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.972 -7.610 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.604 -8.209 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.333 -8.042 -1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.491 -6.751 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.095 -6.884 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.319 -5.340 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.595 -5.757 0.163 1.00 0.00 H new ATOM 766 N GLN A 52 -4.072 -8.390 -0.118 1.00 0.00 N ATOM 767 CA GLN A 52 -4.282 -9.827 -0.174 1.00 0.00 C ATOM 768 C GLN A 52 -4.801 -10.234 -1.554 1.00 0.00 C ATOM 769 O GLN A 52 -5.828 -9.732 -2.009 1.00 0.00 O ATOM 770 CB GLN A 52 -5.239 -10.285 0.928 1.00 0.00 C ATOM 771 CG GLN A 52 -4.582 -11.337 1.823 1.00 0.00 C ATOM 772 CD GLN A 52 -5.574 -12.442 2.190 1.00 0.00 C ATOM 773 OE1 GLN A 52 -5.780 -13.396 1.457 1.00 0.00 O ATOM 774 NE2 GLN A 52 -6.177 -12.262 3.362 1.00 0.00 N ATOM 0 H GLN A 52 -4.616 -7.853 -0.793 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.325 -10.321 -0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.542 -9.429 1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.144 -10.697 0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.723 -11.770 1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.207 -10.864 2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.959 -11.441 3.927 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.857 -12.945 3.696 1.00 0.00 H new ATOM 783 N GLY A 53 -4.066 -11.139 -2.184 1.00 0.00 N ATOM 784 CA GLY A 53 -4.439 -11.619 -3.504 1.00 0.00 C ATOM 785 C GLY A 53 -4.422 -13.148 -3.556 1.00 0.00 C ATOM 786 O GLY A 53 -4.125 -13.804 -2.558 1.00 0.00 O ATOM 0 H GLY A 53 -3.214 -11.552 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.434 -11.254 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.751 -11.218 -4.248 1.00 0.00 H new ATOM 790 N SER A 54 -4.744 -13.672 -4.729 1.00 0.00 N ATOM 791 CA SER A 54 -4.770 -15.112 -4.924 1.00 0.00 C ATOM 792 C SER A 54 -3.391 -15.605 -5.367 1.00 0.00 C ATOM 793 O SER A 54 -3.059 -16.774 -5.186 1.00 0.00 O ATOM 794 CB SER A 54 -5.832 -15.509 -5.953 1.00 0.00 C ATOM 795 OG SER A 54 -5.587 -16.802 -6.500 1.00 0.00 O ATOM 0 H SER A 54 -4.989 -13.125 -5.555 1.00 0.00 H new ATOM 0 HA SER A 54 -5.029 -15.581 -3.975 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.816 -15.494 -5.483 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.851 -14.773 -6.757 1.00 0.00 H new ATOM 0 HG SER A 54 -6.287 -17.020 -7.151 1.00 0.00 H new ATOM 801 N CYS A 55 -2.626 -14.687 -5.940 1.00 0.00 N ATOM 802 CA CYS A 55 -1.291 -15.014 -6.410 1.00 0.00 C ATOM 803 C CYS A 55 -0.291 -14.642 -5.314 1.00 0.00 C ATOM 804 O CYS A 55 0.750 -14.048 -5.593 1.00 0.00 O ATOM 805 CB CYS A 55 -0.971 -14.317 -7.735 1.00 0.00 C ATOM 806 SG CYS A 55 -0.897 -15.547 -9.088 1.00 0.00 S ATOM 0 H CYS A 55 -2.905 -13.717 -6.089 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.226 -16.083 -6.612 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.732 -13.568 -7.954 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.019 -13.791 -7.658 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.627 -14.945 -10.208 1.00 0.00 H new ATOM 812 N THR A 56 -0.642 -15.006 -4.089 1.00 0.00 N ATOM 813 CA THR A 56 0.212 -14.718 -2.950 1.00 0.00 C ATOM 814 C THR A 56 0.894 -15.996 -2.457 1.00 0.00 C ATOM 815 O THR A 56 1.728 -15.950 -1.554 1.00 0.00 O ATOM 816 CB THR A 56 -0.641 -14.034 -1.880 1.00 0.00 C ATOM 817 OG1 THR A 56 -0.761 -12.689 -2.337 1.00 0.00 O ATOM 818 CG2 THR A 56 0.087 -13.908 -0.541 1.00 0.00 C ATOM 0 H THR A 56 -1.506 -15.498 -3.861 1.00 0.00 H new ATOM 0 HA THR A 56 1.021 -14.041 -3.224 1.00 0.00 H new ATOM 0 HB THR A 56 -1.564 -14.597 -1.740 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.302 -12.175 -1.702 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.563 -13.416 0.182 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.350 -14.900 -0.175 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.994 -13.318 -0.674 1.00 0.00 H new ATOM 826 N SER A 57 0.515 -17.105 -3.073 1.00 0.00 N ATOM 827 CA SER A 57 1.079 -18.394 -2.709 1.00 0.00 C ATOM 828 C SER A 57 2.529 -18.484 -3.187 1.00 0.00 C ATOM 829 O SER A 57 3.292 -19.325 -2.715 1.00 0.00 O ATOM 830 CB SER A 57 0.256 -19.542 -3.295 1.00 0.00 C ATOM 831 OG SER A 57 0.778 -20.816 -2.929 1.00 0.00 O ATOM 0 H SER A 57 -0.176 -17.138 -3.822 1.00 0.00 H new ATOM 0 HA SER A 57 1.054 -18.483 -1.623 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.775 -19.461 -2.951 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.237 -19.457 -4.381 1.00 0.00 H new ATOM 0 HG SER A 57 1.719 -20.722 -2.672 1.00 0.00 H new ATOM 837 N CYS A 58 2.868 -17.605 -4.120 1.00 0.00 N ATOM 838 CA CYS A 58 4.213 -17.574 -4.667 1.00 0.00 C ATOM 839 C CYS A 58 4.748 -16.146 -4.549 1.00 0.00 C ATOM 840 O CYS A 58 4.105 -15.199 -4.999 1.00 0.00 O ATOM 841 CB CYS A 58 4.248 -18.078 -6.111 1.00 0.00 C ATOM 842 SG CYS A 58 2.798 -17.443 -7.031 1.00 0.00 S ATOM 0 H CYS A 58 2.233 -16.909 -4.511 1.00 0.00 H new ATOM 0 HA CYS A 58 4.854 -18.249 -4.100 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.168 -17.752 -6.596 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.249 -19.168 -6.125 1.00 0.00 H new ATOM 0 HG CYS A 58 2.838 -17.875 -8.256 1.00 0.00 H new ATOM 848 N PRO A 59 5.951 -16.032 -3.923 1.00 0.00 N ATOM 849 CA PRO A 59 6.579 -14.736 -3.739 1.00 0.00 C ATOM 850 C PRO A 59 7.174 -14.224 -5.052 1.00 0.00 C ATOM 851 O PRO A 59 7.478 -13.039 -5.181 1.00 0.00 O ATOM 852 CB PRO A 59 7.626 -14.955 -2.658 1.00 0.00 C ATOM 853 CG PRO A 59 7.863 -16.456 -2.607 1.00 0.00 C ATOM 854 CD PRO A 59 6.740 -17.133 -3.377 1.00 0.00 C ATOM 0 HA PRO A 59 5.870 -13.965 -3.438 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.547 -14.422 -2.892 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.278 -14.581 -1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.830 -16.705 -3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.882 -16.804 -1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.131 -17.771 -4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.138 -17.767 -2.725 1.00 0.00 H new ATOM 862 N SER A 60 7.325 -15.142 -5.995 1.00 0.00 N ATOM 863 CA SER A 60 7.879 -14.799 -7.294 1.00 0.00 C ATOM 864 C SER A 60 7.015 -13.728 -7.964 1.00 0.00 C ATOM 865 O SER A 60 7.496 -12.634 -8.258 1.00 0.00 O ATOM 866 CB SER A 60 7.983 -16.033 -8.191 1.00 0.00 C ATOM 867 OG SER A 60 9.301 -16.577 -8.199 1.00 0.00 O ATOM 0 H SER A 60 7.073 -16.124 -5.885 1.00 0.00 H new ATOM 0 HA SER A 60 8.885 -14.406 -7.144 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.280 -16.791 -7.847 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.694 -15.768 -9.208 1.00 0.00 H new ATOM 0 HG SER A 60 9.326 -17.365 -8.782 1.00 0.00 H new ATOM 873 N SER A 61 5.757 -14.079 -8.184 1.00 0.00 N ATOM 874 CA SER A 61 4.823 -13.161 -8.814 1.00 0.00 C ATOM 875 C SER A 61 4.637 -11.921 -7.938 1.00 0.00 C ATOM 876 O SER A 61 4.520 -10.808 -8.448 1.00 0.00 O ATOM 877 CB SER A 61 3.475 -13.837 -9.070 1.00 0.00 C ATOM 878 OG SER A 61 3.080 -13.740 -10.436 1.00 0.00 O ATOM 0 H SER A 61 5.362 -14.987 -7.937 1.00 0.00 H new ATOM 0 HA SER A 61 5.236 -12.859 -9.776 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.536 -14.887 -8.784 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.714 -13.378 -8.439 1.00 0.00 H new ATOM 0 HG SER A 61 2.216 -14.185 -10.559 1.00 0.00 H new ATOM 884 N ILE A 62 4.618 -12.154 -6.633 1.00 0.00 N ATOM 885 CA ILE A 62 4.448 -11.070 -5.681 1.00 0.00 C ATOM 886 C ILE A 62 5.636 -10.112 -5.789 1.00 0.00 C ATOM 887 O ILE A 62 5.465 -8.940 -6.119 1.00 0.00 O ATOM 888 CB ILE A 62 4.230 -11.623 -4.272 1.00 0.00 C ATOM 889 CG1 ILE A 62 2.750 -11.923 -4.023 1.00 0.00 C ATOM 890 CG2 ILE A 62 4.810 -10.679 -3.216 1.00 0.00 C ATOM 891 CD1 ILE A 62 2.457 -12.031 -2.525 1.00 0.00 C ATOM 0 H ILE A 62 4.718 -13.078 -6.213 1.00 0.00 H new ATOM 0 HA ILE A 62 3.552 -10.495 -5.914 1.00 0.00 H new ATOM 0 HB ILE A 62 4.768 -12.567 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.137 -11.136 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.475 -12.854 -4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.641 -11.096 -2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.881 -10.560 -3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.322 -9.707 -3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.399 -12.245 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.054 -12.835 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.710 -11.090 -2.036 1.00 0.00 H new ATOM 903 N ILE A 63 6.814 -10.647 -5.503 1.00 0.00 N ATOM 904 CA ILE A 63 8.030 -9.854 -5.564 1.00 0.00 C ATOM 905 C ILE A 63 8.173 -9.254 -6.964 1.00 0.00 C ATOM 906 O ILE A 63 8.946 -8.318 -7.165 1.00 0.00 O ATOM 907 CB ILE A 63 9.236 -10.689 -5.126 1.00 0.00 C ATOM 908 CG1 ILE A 63 9.101 -11.123 -3.666 1.00 0.00 C ATOM 909 CG2 ILE A 63 10.545 -9.938 -5.383 1.00 0.00 C ATOM 910 CD1 ILE A 63 10.082 -12.250 -3.337 1.00 0.00 C ATOM 0 H ILE A 63 6.952 -11.620 -5.229 1.00 0.00 H new ATOM 0 HA ILE A 63 7.977 -9.020 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 63 9.261 -11.596 -5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.286 -10.272 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.081 -11.456 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.386 -10.553 -5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.638 -9.722 -6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.545 -9.004 -4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.966 -12.540 -2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.878 -13.108 -3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.102 -11.905 -3.506 1.00 0.00 H new ATOM 922 N THR A 64 7.416 -9.816 -7.895 1.00 0.00 N ATOM 923 CA THR A 64 7.450 -9.348 -9.269 1.00 0.00 C ATOM 924 C THR A 64 6.412 -8.244 -9.482 1.00 0.00 C ATOM 925 O THR A 64 6.693 -7.240 -10.135 1.00 0.00 O ATOM 926 CB THR A 64 7.246 -10.557 -10.186 1.00 0.00 C ATOM 927 OG1 THR A 64 8.493 -11.245 -10.134 1.00 0.00 O ATOM 928 CG2 THR A 64 7.102 -10.160 -11.656 1.00 0.00 C ATOM 0 H THR A 64 6.776 -10.591 -7.724 1.00 0.00 H new ATOM 0 HA THR A 64 8.413 -8.898 -9.509 1.00 0.00 H new ATOM 0 HB THR A 64 6.359 -11.107 -9.870 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.397 -12.056 -9.592 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.960 -11.055 -12.262 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.241 -9.502 -11.772 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.003 -9.640 -11.982 1.00 0.00 H new ATOM 936 N LEU A 65 5.234 -8.466 -8.917 1.00 0.00 N ATOM 937 CA LEU A 65 4.153 -7.502 -9.036 1.00 0.00 C ATOM 938 C LEU A 65 4.208 -6.532 -7.855 1.00 0.00 C ATOM 939 O LEU A 65 4.486 -5.348 -8.032 1.00 0.00 O ATOM 940 CB LEU A 65 2.809 -8.220 -9.181 1.00 0.00 C ATOM 941 CG LEU A 65 2.142 -8.123 -10.554 1.00 0.00 C ATOM 942 CD1 LEU A 65 3.066 -8.653 -11.652 1.00 0.00 C ATOM 943 CD2 LEU A 65 0.785 -8.831 -10.555 1.00 0.00 C ATOM 0 H LEU A 65 5.004 -9.299 -8.376 1.00 0.00 H new ATOM 0 HA LEU A 65 4.270 -6.908 -9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.955 -9.274 -8.944 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.122 -7.818 -8.436 1.00 0.00 H new ATOM 0 HG LEU A 65 1.957 -7.071 -10.770 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.567 -8.572 -12.618 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.985 -8.067 -11.668 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.305 -9.698 -11.453 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.332 -8.747 -11.543 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.924 -9.883 -10.307 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.132 -8.367 -9.816 1.00 0.00 H new ATOM 955 N LYS A 66 3.939 -7.070 -6.674 1.00 0.00 N ATOM 956 CA LYS A 66 3.955 -6.267 -5.465 1.00 0.00 C ATOM 957 C LYS A 66 5.172 -5.339 -5.489 1.00 0.00 C ATOM 958 O LYS A 66 5.025 -4.118 -5.507 1.00 0.00 O ATOM 959 CB LYS A 66 3.890 -7.164 -4.226 1.00 0.00 C ATOM 960 CG LYS A 66 4.714 -6.574 -3.079 1.00 0.00 C ATOM 961 CD LYS A 66 4.231 -7.105 -1.727 1.00 0.00 C ATOM 962 CE LYS A 66 5.243 -8.086 -1.131 1.00 0.00 C ATOM 963 NZ LYS A 66 5.693 -7.620 0.200 1.00 0.00 N ATOM 0 H LYS A 66 3.709 -8.053 -6.530 1.00 0.00 H new ATOM 0 HA LYS A 66 3.071 -5.632 -5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.853 -7.281 -3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.262 -8.158 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.766 -6.823 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.639 -5.487 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.077 -6.273 -1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.268 -7.600 -1.850 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.792 -9.075 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.100 -8.184 -1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.379 -8.297 0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.141 -6.686 0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.875 -7.549 0.838 1.00 0.00 H new ATOM 977 N SER A 67 6.345 -5.954 -5.489 1.00 0.00 N ATOM 978 CA SER A 67 7.586 -5.198 -5.511 1.00 0.00 C ATOM 979 C SER A 67 7.557 -4.179 -6.651 1.00 0.00 C ATOM 980 O SER A 67 7.805 -2.994 -6.434 1.00 0.00 O ATOM 981 CB SER A 67 8.793 -6.126 -5.660 1.00 0.00 C ATOM 982 OG SER A 67 9.904 -5.684 -4.884 1.00 0.00 O ATOM 0 H SER A 67 6.463 -6.967 -5.474 1.00 0.00 H new ATOM 0 HA SER A 67 7.682 -4.670 -4.562 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.515 -7.135 -5.354 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.082 -6.180 -6.710 1.00 0.00 H new ATOM 0 HG SER A 67 10.654 -6.303 -5.004 1.00 0.00 H new ATOM 988 N GLY A 68 7.251 -4.676 -7.840 1.00 0.00 N ATOM 989 CA GLY A 68 7.186 -3.823 -9.014 1.00 0.00 C ATOM 990 C GLY A 68 6.368 -2.562 -8.731 1.00 0.00 C ATOM 991 O GLY A 68 6.745 -1.466 -9.144 1.00 0.00 O ATOM 0 H GLY A 68 7.045 -5.659 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.194 -3.545 -9.322 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.739 -4.372 -9.843 1.00 0.00 H new ATOM 995 N ILE A 69 5.262 -2.758 -8.029 1.00 0.00 N ATOM 996 CA ILE A 69 4.386 -1.650 -7.686 1.00 0.00 C ATOM 997 C ILE A 69 5.132 -0.683 -6.764 1.00 0.00 C ATOM 998 O ILE A 69 5.271 0.498 -7.079 1.00 0.00 O ATOM 999 CB ILE A 69 3.071 -2.168 -7.100 1.00 0.00 C ATOM 1000 CG1 ILE A 69 2.286 -2.972 -8.139 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.242 -1.022 -6.516 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.546 -4.139 -7.484 1.00 0.00 C ATOM 0 H ILE A 69 4.952 -3.668 -7.688 1.00 0.00 H new ATOM 0 HA ILE A 69 4.111 -1.091 -8.580 1.00 0.00 H new ATOM 0 HB ILE A 69 3.306 -2.846 -6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.572 -2.321 -8.644 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.967 -3.350 -8.901 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.313 -1.417 -6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.808 -0.530 -5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.015 -0.301 -7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.996 -4.694 -8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.265 -4.801 -7.001 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.848 -3.756 -6.739 1.00 0.00 H new ATOM 1014 N GLN A 70 5.591 -1.220 -5.643 1.00 0.00 N ATOM 1015 CA GLN A 70 6.320 -0.420 -4.674 1.00 0.00 C ATOM 1016 C GLN A 70 7.237 0.574 -5.387 1.00 0.00 C ATOM 1017 O GLN A 70 7.351 1.727 -4.974 1.00 0.00 O ATOM 1018 CB GLN A 70 7.114 -1.308 -3.715 1.00 0.00 C ATOM 1019 CG GLN A 70 8.084 -0.478 -2.872 1.00 0.00 C ATOM 1020 CD GLN A 70 9.534 -0.882 -3.147 1.00 0.00 C ATOM 1021 OE1 GLN A 70 10.091 -1.762 -2.512 1.00 0.00 O ATOM 1022 NE2 GLN A 70 10.112 -0.192 -4.126 1.00 0.00 N ATOM 0 H GLN A 70 5.472 -2.199 -5.384 1.00 0.00 H new ATOM 0 HA GLN A 70 5.598 0.143 -4.082 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.428 -1.847 -3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.668 -2.056 -4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.950 0.581 -3.093 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.859 -0.613 -1.814 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.588 0.532 -4.618 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.079 -0.387 -4.385 1.00 0.00 H new ATOM 1031 N ASN A 71 7.869 0.092 -6.448 1.00 0.00 N ATOM 1032 CA ASN A 71 8.772 0.923 -7.223 1.00 0.00 C ATOM 1033 C ASN A 71 8.038 2.189 -7.670 1.00 0.00 C ATOM 1034 O ASN A 71 8.405 3.296 -7.275 1.00 0.00 O ATOM 1035 CB ASN A 71 9.256 0.192 -8.477 1.00 0.00 C ATOM 1036 CG ASN A 71 10.780 0.263 -8.600 1.00 0.00 C ATOM 1037 OD1 ASN A 71 11.515 0.059 -7.648 1.00 0.00 O ATOM 1038 ND2 ASN A 71 11.211 0.563 -9.822 1.00 0.00 N ATOM 0 H ASN A 71 7.772 -0.865 -6.788 1.00 0.00 H new ATOM 0 HA ASN A 71 9.628 1.166 -6.593 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.939 -0.850 -8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.795 0.634 -9.360 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.212 0.634 -10.007 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.541 0.722 -10.574 1.00 0.00 H new ATOM 1045 N MET A 72 7.014 1.985 -8.485 1.00 0.00 N ATOM 1046 CA MET A 72 6.224 3.096 -8.989 1.00 0.00 C ATOM 1047 C MET A 72 5.877 4.075 -7.865 1.00 0.00 C ATOM 1048 O MET A 72 6.092 5.280 -7.998 1.00 0.00 O ATOM 1049 CB MET A 72 4.936 2.563 -9.618 1.00 0.00 C ATOM 1050 CG MET A 72 3.911 3.685 -9.801 1.00 0.00 C ATOM 1051 SD MET A 72 2.787 3.274 -11.125 1.00 0.00 S ATOM 1052 CE MET A 72 1.595 2.292 -10.226 1.00 0.00 C ATOM 0 H MET A 72 6.713 1.066 -8.809 1.00 0.00 H new ATOM 0 HA MET A 72 6.812 3.626 -9.739 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.159 2.108 -10.583 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.515 1.780 -8.987 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.356 3.836 -8.875 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.421 4.622 -10.024 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.816 1.951 -10.908 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.093 1.429 -9.784 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.147 2.896 -9.437 1.00 0.00 H new ATOM 1062 N LEU A 73 5.347 3.523 -6.784 1.00 0.00 N ATOM 1063 CA LEU A 73 4.968 4.333 -5.639 1.00 0.00 C ATOM 1064 C LEU A 73 6.203 5.061 -5.104 1.00 0.00 C ATOM 1065 O LEU A 73 6.148 6.257 -4.818 1.00 0.00 O ATOM 1066 CB LEU A 73 4.257 3.477 -4.589 1.00 0.00 C ATOM 1067 CG LEU A 73 3.516 4.241 -3.490 1.00 0.00 C ATOM 1068 CD1 LEU A 73 4.401 4.422 -2.256 1.00 0.00 C ATOM 1069 CD2 LEU A 73 2.984 5.576 -4.014 1.00 0.00 C ATOM 0 H LEU A 73 5.171 2.524 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 73 4.249 5.097 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.543 2.830 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.995 2.828 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 73 2.654 3.648 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.850 4.968 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.689 3.445 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.295 4.982 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.462 6.099 -3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.816 6.187 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.295 5.395 -4.839 1.00 0.00 H new ATOM 1081 N GLN A 74 7.288 4.311 -4.986 1.00 0.00 N ATOM 1082 CA GLN A 74 8.534 4.870 -4.490 1.00 0.00 C ATOM 1083 C GLN A 74 9.037 5.964 -5.434 1.00 0.00 C ATOM 1084 O GLN A 74 9.256 7.099 -5.014 1.00 0.00 O ATOM 1085 CB GLN A 74 9.590 3.779 -4.304 1.00 0.00 C ATOM 1086 CG GLN A 74 9.890 3.551 -2.821 1.00 0.00 C ATOM 1087 CD GLN A 74 11.019 4.468 -2.344 1.00 0.00 C ATOM 1088 OE1 GLN A 74 12.174 4.083 -2.267 1.00 0.00 O ATOM 1089 NE2 GLN A 74 10.622 5.697 -2.029 1.00 0.00 N ATOM 0 H GLN A 74 7.330 3.320 -5.225 1.00 0.00 H new ATOM 0 HA GLN A 74 8.346 5.317 -3.514 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.241 2.850 -4.755 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.505 4.062 -4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.992 3.737 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.169 2.510 -2.658 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.639 5.954 -2.117 1.00 0.00 H new ATOM 0 HE22 GLN A 74 11.301 6.383 -1.700 1.00 0.00 H new ATOM 1098 N PHE A 75 9.206 5.585 -6.693 1.00 0.00 N ATOM 1099 CA PHE A 75 9.678 6.519 -7.699 1.00 0.00 C ATOM 1100 C PHE A 75 9.072 7.908 -7.486 1.00 0.00 C ATOM 1101 O PHE A 75 9.784 8.910 -7.504 1.00 0.00 O ATOM 1102 CB PHE A 75 9.226 5.981 -9.058 1.00 0.00 C ATOM 1103 CG PHE A 75 9.117 7.050 -10.147 1.00 0.00 C ATOM 1104 CD1 PHE A 75 7.999 7.821 -10.232 1.00 0.00 C ATOM 1105 CD2 PHE A 75 10.136 7.229 -11.028 1.00 0.00 C ATOM 1106 CE1 PHE A 75 7.898 8.814 -11.243 1.00 0.00 C ATOM 1107 CE2 PHE A 75 10.035 8.221 -12.038 1.00 0.00 C ATOM 1108 CZ PHE A 75 8.918 8.993 -12.125 1.00 0.00 C ATOM 0 H PHE A 75 9.024 4.643 -7.038 1.00 0.00 H new ATOM 0 HA PHE A 75 10.762 6.612 -7.639 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.928 5.214 -9.385 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.257 5.496 -8.941 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.189 7.678 -9.532 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.023 6.616 -10.960 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.011 9.427 -11.311 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.845 8.363 -12.738 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.841 9.748 -12.894 1.00 0.00 H new ATOM 1118 N TYR A 76 7.761 7.922 -7.290 1.00 0.00 N ATOM 1119 CA TYR A 76 7.051 9.171 -7.074 1.00 0.00 C ATOM 1120 C TYR A 76 7.328 9.725 -5.676 1.00 0.00 C ATOM 1121 O TYR A 76 7.766 10.865 -5.531 1.00 0.00 O ATOM 1122 CB TYR A 76 5.563 8.835 -7.190 1.00 0.00 C ATOM 1123 CG TYR A 76 5.057 8.741 -8.631 1.00 0.00 C ATOM 1124 CD1 TYR A 76 5.135 9.839 -9.463 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.522 7.558 -9.099 1.00 0.00 C ATOM 1126 CE1 TYR A 76 4.660 9.751 -10.819 1.00 0.00 C ATOM 1127 CE2 TYR A 76 4.045 7.469 -10.456 1.00 0.00 C ATOM 1128 CZ TYR A 76 4.138 8.570 -11.249 1.00 0.00 C ATOM 1129 OH TYR A 76 3.689 8.487 -12.530 1.00 0.00 O ATOM 0 H TYR A 76 7.173 7.089 -7.276 1.00 0.00 H new ATOM 0 HA TYR A 76 7.368 9.922 -7.797 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.375 7.886 -6.687 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.987 9.595 -6.662 1.00 0.00 H new ATOM 0 HD1 TYR A 76 5.553 10.765 -9.097 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.461 6.698 -8.448 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.717 10.603 -11.480 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.624 6.549 -10.834 1.00 0.00 H new ATOM 0 HH TYR A 76 3.345 7.585 -12.698 1.00 0.00 H new ATOM 1139 N ILE A 77 7.062 8.892 -4.680 1.00 0.00 N ATOM 1140 CA ILE A 77 7.277 9.283 -3.297 1.00 0.00 C ATOM 1141 C ILE A 77 8.569 8.643 -2.785 1.00 0.00 C ATOM 1142 O ILE A 77 8.631 7.430 -2.594 1.00 0.00 O ATOM 1143 CB ILE A 77 6.048 8.953 -2.449 1.00 0.00 C ATOM 1144 CG1 ILE A 77 4.776 9.518 -3.083 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.232 9.433 -1.008 1.00 0.00 C ATOM 1146 CD1 ILE A 77 4.646 11.018 -2.810 1.00 0.00 C ATOM 0 H ILE A 77 6.699 7.947 -4.804 1.00 0.00 H new ATOM 0 HA ILE A 77 7.405 10.363 -3.222 1.00 0.00 H new ATOM 0 HB ILE A 77 5.937 7.869 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.792 9.341 -4.158 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.905 8.996 -2.687 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.344 9.186 -0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.101 8.943 -0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.382 10.513 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.733 11.394 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.606 11.190 -1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.506 11.540 -3.229 1.00 0.00 H new ATOM 1158 N PRO A 78 9.595 9.510 -2.572 1.00 0.00 N ATOM 1159 CA PRO A 78 10.881 9.040 -2.086 1.00 0.00 C ATOM 1160 C PRO A 78 10.814 8.700 -0.596 1.00 0.00 C ATOM 1161 O PRO A 78 11.790 8.224 -0.019 1.00 0.00 O ATOM 1162 CB PRO A 78 11.854 10.168 -2.394 1.00 0.00 C ATOM 1163 CG PRO A 78 10.999 11.406 -2.615 1.00 0.00 C ATOM 1164 CD PRO A 78 9.558 10.953 -2.788 1.00 0.00 C ATOM 0 HA PRO A 78 11.199 8.114 -2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.552 10.317 -1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.448 9.941 -3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.086 12.086 -1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.336 11.950 -3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.900 11.444 -2.071 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.183 11.195 -3.783 1.00 0.00 H new ATOM 1172 N GLU A 79 9.650 8.957 -0.015 1.00 0.00 N ATOM 1173 CA GLU A 79 9.442 8.683 1.396 1.00 0.00 C ATOM 1174 C GLU A 79 9.402 7.174 1.645 1.00 0.00 C ATOM 1175 O GLU A 79 10.296 6.622 2.284 1.00 0.00 O ATOM 1176 CB GLU A 79 8.165 9.358 1.903 1.00 0.00 C ATOM 1177 CG GLU A 79 8.147 10.842 1.537 1.00 0.00 C ATOM 1178 CD GLU A 79 8.266 11.717 2.786 1.00 0.00 C ATOM 1179 OE1 GLU A 79 8.754 11.185 3.807 1.00 0.00 O ATOM 1180 OE2 GLU A 79 7.865 12.898 2.694 1.00 0.00 O ATOM 0 H GLU A 79 8.842 9.352 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 79 10.280 9.100 1.954 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.293 8.864 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.095 9.246 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.969 11.062 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.223 11.079 1.010 1.00 0.00 H new ATOM 1187 N VAL A 80 8.354 6.550 1.127 1.00 0.00 N ATOM 1188 CA VAL A 80 8.185 5.115 1.284 1.00 0.00 C ATOM 1189 C VAL A 80 9.524 4.418 1.038 1.00 0.00 C ATOM 1190 O VAL A 80 10.413 4.980 0.397 1.00 0.00 O ATOM 1191 CB VAL A 80 7.072 4.615 0.361 1.00 0.00 C ATOM 1192 CG1 VAL A 80 7.135 5.310 -1.001 1.00 0.00 C ATOM 1193 CG2 VAL A 80 7.132 3.095 0.204 1.00 0.00 C ATOM 0 H VAL A 80 7.614 7.012 0.598 1.00 0.00 H new ATOM 0 HA VAL A 80 7.877 4.876 2.302 1.00 0.00 H new ATOM 0 HB VAL A 80 6.117 4.867 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.333 4.936 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.020 6.386 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.097 5.104 -1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.330 2.766 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.094 2.811 -0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.015 2.624 1.180 1.00 0.00 H new ATOM 1203 N GLU A 81 9.628 3.204 1.558 1.00 0.00 N ATOM 1204 CA GLU A 81 10.845 2.425 1.402 1.00 0.00 C ATOM 1205 C GLU A 81 10.513 1.021 0.891 1.00 0.00 C ATOM 1206 O GLU A 81 11.166 0.519 -0.024 1.00 0.00 O ATOM 1207 CB GLU A 81 11.626 2.359 2.716 1.00 0.00 C ATOM 1208 CG GLU A 81 12.406 3.654 2.956 1.00 0.00 C ATOM 1209 CD GLU A 81 13.900 3.371 3.125 1.00 0.00 C ATOM 1210 OE1 GLU A 81 14.395 2.484 2.397 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.512 4.048 3.978 1.00 0.00 O ATOM 0 H GLU A 81 8.890 2.741 2.088 1.00 0.00 H new ATOM 0 HA GLU A 81 11.478 2.919 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.938 2.186 3.544 1.00 0.00 H new ATOM 0 HB3 GLU A 81 12.315 1.515 2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.254 4.335 2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.024 4.153 3.846 1.00 0.00 H new ATOM 1218 N GLY A 82 9.500 0.427 1.504 1.00 0.00 N ATOM 1219 CA GLY A 82 9.074 -0.909 1.122 1.00 0.00 C ATOM 1220 C GLY A 82 7.574 -1.094 1.354 1.00 0.00 C ATOM 1221 O GLY A 82 6.862 -0.130 1.633 1.00 0.00 O ATOM 0 H GLY A 82 8.962 0.846 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.307 -1.082 0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.629 -1.650 1.698 1.00 0.00 H new ATOM 1225 N VAL A 83 7.136 -2.338 1.230 1.00 0.00 N ATOM 1226 CA VAL A 83 5.732 -2.661 1.423 1.00 0.00 C ATOM 1227 C VAL A 83 5.616 -3.884 2.334 1.00 0.00 C ATOM 1228 O VAL A 83 6.510 -4.729 2.364 1.00 0.00 O ATOM 1229 CB VAL A 83 5.051 -2.859 0.067 1.00 0.00 C ATOM 1230 CG1 VAL A 83 3.607 -3.333 0.245 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.109 -1.579 -0.768 1.00 0.00 C ATOM 0 H VAL A 83 7.729 -3.135 0.998 1.00 0.00 H new ATOM 0 HA VAL A 83 5.214 -1.838 1.916 1.00 0.00 H new ATOM 0 HB VAL A 83 5.595 -3.634 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.145 -3.466 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.599 -4.281 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.047 -2.589 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.618 -1.747 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.601 -0.774 -0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.149 -1.302 -0.937 1.00 0.00 H new ATOM 1241 N GLU A 84 4.506 -3.941 3.056 1.00 0.00 N ATOM 1242 CA GLU A 84 4.261 -5.046 3.966 1.00 0.00 C ATOM 1243 C GLU A 84 2.765 -5.359 4.031 1.00 0.00 C ATOM 1244 O GLU A 84 1.934 -4.499 3.742 1.00 0.00 O ATOM 1245 CB GLU A 84 4.819 -4.745 5.359 1.00 0.00 C ATOM 1246 CG GLU A 84 5.887 -5.765 5.755 1.00 0.00 C ATOM 1247 CD GLU A 84 5.276 -7.155 5.943 1.00 0.00 C ATOM 1248 OE1 GLU A 84 4.497 -7.306 6.909 1.00 0.00 O ATOM 1249 OE2 GLU A 84 5.600 -8.034 5.116 1.00 0.00 O ATOM 0 H GLU A 84 3.766 -3.239 3.029 1.00 0.00 H new ATOM 0 HA GLU A 84 4.780 -5.925 3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.246 -3.742 5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.010 -4.759 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.660 -5.804 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.372 -5.449 6.679 1.00 0.00 H new ATOM 1256 N GLN A 85 2.466 -6.592 4.413 1.00 0.00 N ATOM 1257 CA GLN A 85 1.084 -7.029 4.520 1.00 0.00 C ATOM 1258 C GLN A 85 0.622 -6.977 5.977 1.00 0.00 C ATOM 1259 O GLN A 85 0.794 -7.942 6.721 1.00 0.00 O ATOM 1260 CB GLN A 85 0.906 -8.433 3.938 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.546 -8.675 3.524 1.00 0.00 C ATOM 1262 CD GLN A 85 -1.222 -9.679 4.461 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -1.208 -10.879 4.242 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -1.815 -9.121 5.514 1.00 0.00 N ATOM 0 H GLN A 85 3.157 -7.303 4.652 1.00 0.00 H new ATOM 0 HA GLN A 85 0.462 -6.349 3.938 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.560 -8.558 3.075 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.206 -9.177 4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.094 -7.733 3.538 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.579 -9.048 2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.789 -8.109 5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.296 -9.706 6.198 1.00 0.00 H new ATOM 1273 N VAL A 86 0.045 -5.841 6.341 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.443 -5.651 7.696 1.00 0.00 C ATOM 1275 C VAL A 86 -1.679 -6.526 7.916 1.00 0.00 C ATOM 1276 O VAL A 86 -2.777 -6.174 7.487 1.00 0.00 O ATOM 1277 CB VAL A 86 -0.708 -4.167 7.954 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.588 -3.356 7.871 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -1.759 -3.621 6.985 1.00 0.00 C ATOM 0 H VAL A 86 -0.095 -5.043 5.721 1.00 0.00 H new ATOM 0 HA VAL A 86 0.310 -5.963 8.420 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.101 -4.068 8.966 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.372 -2.304 8.058 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.293 -3.720 8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.023 -3.466 6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.929 -2.564 7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.406 -3.740 5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.692 -4.170 7.113 1.00 0.00 H new ATOM 1289 N SER A 87 -1.460 -7.649 8.584 1.00 0.00 N ATOM 1290 CA SER A 87 -2.543 -8.576 8.866 1.00 0.00 C ATOM 1291 C SER A 87 -3.592 -7.901 9.751 1.00 0.00 C ATOM 1292 O SER A 87 -4.738 -7.727 9.338 1.00 0.00 O ATOM 1293 CB SER A 87 -2.018 -9.846 9.538 1.00 0.00 C ATOM 1294 OG SER A 87 -1.598 -10.820 8.586 1.00 0.00 O ATOM 0 H SER A 87 -0.548 -7.938 8.938 1.00 0.00 H new ATOM 0 HA SER A 87 -3.005 -8.862 7.921 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.182 -9.592 10.190 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.798 -10.270 10.171 1.00 0.00 H new ATOM 0 HG SER A 87 -1.268 -11.615 9.055 1.00 0.00 H new ATOM 1300 N GLY A 88 -3.163 -7.540 10.951 1.00 0.00 N ATOM 1301 CA GLY A 88 -4.052 -6.888 11.898 1.00 0.00 C ATOM 1302 C GLY A 88 -4.866 -7.918 12.686 1.00 0.00 C ATOM 1303 O GLY A 88 -4.847 -9.105 12.365 1.00 0.00 O ATOM 0 H GLY A 88 -2.212 -7.686 11.290 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.470 -6.276 12.587 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.726 -6.216 11.366 1.00 0.00 H new ATOM 1307 N PRO A 89 -5.578 -7.412 13.728 1.00 0.00 N ATOM 1308 CA PRO A 89 -6.395 -8.275 14.564 1.00 0.00 C ATOM 1309 C PRO A 89 -7.680 -8.683 13.839 1.00 0.00 C ATOM 1310 O PRO A 89 -8.720 -8.049 14.007 1.00 0.00 O ATOM 1311 CB PRO A 89 -6.656 -7.469 15.825 1.00 0.00 C ATOM 1312 CG PRO A 89 -6.371 -6.021 15.461 1.00 0.00 C ATOM 1313 CD PRO A 89 -5.624 -6.012 14.137 1.00 0.00 C ATOM 0 HA PRO A 89 -5.902 -9.217 14.804 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.686 -7.592 16.161 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.013 -7.800 16.640 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.301 -5.458 15.379 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.776 -5.542 16.238 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.138 -5.400 13.396 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.621 -5.600 14.251 1.00 0.00 H new ATOM 1321 N SER A 90 -7.564 -9.741 13.049 1.00 0.00 N ATOM 1322 CA SER A 90 -8.703 -10.241 12.298 1.00 0.00 C ATOM 1323 C SER A 90 -8.607 -11.761 12.153 1.00 0.00 C ATOM 1324 O SER A 90 -7.571 -12.286 11.746 1.00 0.00 O ATOM 1325 CB SER A 90 -8.787 -9.581 10.921 1.00 0.00 C ATOM 1326 OG SER A 90 -10.134 -9.461 10.467 1.00 0.00 O ATOM 0 H SER A 90 -6.700 -10.265 12.913 1.00 0.00 H new ATOM 0 HA SER A 90 -9.611 -9.991 12.847 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.330 -8.593 10.964 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.213 -10.167 10.203 1.00 0.00 H new ATOM 0 HG SER A 90 -10.145 -9.033 9.585 1.00 0.00 H new ATOM 1332 N SER A 91 -9.700 -12.427 12.495 1.00 0.00 N ATOM 1333 CA SER A 91 -9.753 -13.876 12.407 1.00 0.00 C ATOM 1334 C SER A 91 -8.644 -14.493 13.263 1.00 0.00 C ATOM 1335 O SER A 91 -7.470 -14.436 12.899 1.00 0.00 O ATOM 1336 CB SER A 91 -9.626 -14.346 10.956 1.00 0.00 C ATOM 1337 OG SER A 91 -10.717 -15.175 10.566 1.00 0.00 O ATOM 0 H SER A 91 -10.557 -11.989 12.834 1.00 0.00 H new ATOM 0 HA SER A 91 -10.721 -14.206 12.784 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.576 -13.479 10.297 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.692 -14.894 10.833 1.00 0.00 H new ATOM 0 HG SER A 91 -10.600 -15.453 9.633 1.00 0.00 H new ATOM 1343 N GLY A 92 -9.055 -15.066 14.385 1.00 0.00 N ATOM 1344 CA GLY A 92 -8.111 -15.692 15.295 1.00 0.00 C ATOM 1345 C GLY A 92 -8.488 -17.151 15.557 1.00 0.00 C ATOM 1346 O GLY A 92 -8.383 -17.630 16.685 1.00 0.00 O ATOM 0 H GLY A 92 -10.029 -15.110 14.684 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.107 -15.642 14.874 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.090 -15.143 16.237 1.00 0.00 H new TER 1350 GLY A 92