USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 713 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 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -165:sc= -0.375 (180deg=-0.523) USER MOD Set 2.1: A 4 GLN :FLIP amide:sc= -9.61! C(o=-16!,f=-12!) USER MOD Set 2.2: A 9 SER OG : rot -59:sc= 0.873 USER MOD Set 2.3: A 92 THR OG1 : rot 124:sc= -3.26! USER MOD Single : A 1 VAL N :NH3+ 158:sc= -1.08 (180deg=-2.19!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00757 K(o=-0.0076,f=-1.4!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0255 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0716 USER MOD Single : A 16 LYS NZ :NH3+ 151:sc= -1.07 (180deg=-2.39!) USER MOD Single : A 17 LYS NZ :NH3+ -126:sc= 0.0653 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= -2.61! (180deg=-2.86!) USER MOD Single : A 22 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.16) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -4.46! C(o=-4.5!,f=-4.3!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -2.36! C(o=-2.4!,f=-2.5!) USER MOD Single : A 52 ASN : amide:sc= -2.67! C(o=-2.7!,f=-4.4!) USER MOD Single : A 65 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.9!) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 71 GLN : amide:sc= -0.408 K(o=-0.41,f=-1.4!) USER MOD Single : A 82 THR OG1 : rot -140:sc= -2.14! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.649 -11.448 -0.564 1.00 0.00 N ATOM 2 CA VAL A 1 -1.472 -12.259 0.676 1.00 0.00 C ATOM 3 C VAL A 1 -2.265 -11.639 1.830 1.00 0.00 C ATOM 4 O VAL A 1 -2.701 -10.508 1.758 1.00 0.00 O ATOM 5 CB VAL A 1 0.028 -12.215 0.969 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.764 -13.142 -0.001 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.541 -10.784 0.794 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.857 -11.629 -1.213 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.543 -11.711 -1.026 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.670 -10.438 -0.318 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.832 -13.281 0.557 1.00 0.00 H new ATOM 0 HB VAL A 1 0.208 -12.543 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.834 -13.111 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.399 -14.162 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.584 -12.814 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.610 -10.753 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.362 -10.456 -0.230 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.017 -10.123 1.484 1.00 0.00 H new ATOM 19 N THR A 2 -2.458 -12.372 2.891 1.00 0.00 N ATOM 20 CA THR A 2 -3.226 -11.824 4.046 1.00 0.00 C ATOM 21 C THR A 2 -2.340 -11.759 5.293 1.00 0.00 C ATOM 22 O THR A 2 -1.483 -12.595 5.500 1.00 0.00 O ATOM 23 CB THR A 2 -4.376 -12.809 4.260 1.00 0.00 C ATOM 24 OG1 THR A 2 -5.133 -12.918 3.062 1.00 0.00 O ATOM 25 CG2 THR A 2 -5.275 -12.312 5.393 1.00 0.00 C ATOM 0 H THR A 2 -2.118 -13.326 3.009 1.00 0.00 H new ATOM 0 HA THR A 2 -3.583 -10.811 3.858 1.00 0.00 H new ATOM 0 HB THR A 2 -3.973 -13.786 4.525 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.870 -13.550 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.094 -13.016 5.543 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.693 -12.231 6.311 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.680 -11.334 5.133 1.00 0.00 H new ATOM 33 N VAL A 3 -2.543 -10.776 6.127 1.00 0.00 N ATOM 34 CA VAL A 3 -1.716 -10.665 7.361 1.00 0.00 C ATOM 35 C VAL A 3 -2.309 -11.548 8.463 1.00 0.00 C ATOM 36 O VAL A 3 -3.459 -11.406 8.831 1.00 0.00 O ATOM 37 CB VAL A 3 -1.775 -9.180 7.744 1.00 0.00 C ATOM 38 CG1 VAL A 3 -2.141 -9.031 9.224 1.00 0.00 C ATOM 39 CG2 VAL A 3 -0.409 -8.539 7.493 1.00 0.00 C ATOM 0 H VAL A 3 -3.245 -10.046 6.007 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.688 -10.997 7.214 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.534 -8.685 7.138 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.180 -7.973 9.484 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.115 -9.485 9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.389 -9.528 9.837 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.447 -7.484 7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.346 -9.042 8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.151 -8.634 6.438 1.00 0.00 H new ATOM 49 N GLN A 4 -1.542 -12.467 8.981 1.00 0.00 N ATOM 50 CA GLN A 4 -2.075 -13.362 10.047 1.00 0.00 C ATOM 51 C GLN A 4 -1.380 -13.095 11.384 1.00 0.00 C ATOM 52 O GLN A 4 -0.172 -13.163 11.495 1.00 0.00 O ATOM 53 CB GLN A 4 -1.764 -14.778 9.565 1.00 0.00 C ATOM 54 CG GLN A 4 -2.418 -15.013 8.202 1.00 0.00 C ATOM 55 CD GLN A 4 -2.362 -16.504 7.864 1.00 0.00 C ATOM 56 OE1 GLN A 4 -3.150 -16.982 6.940 1.00 0.00 O flip ATOM 57 NE2 GLN A 4 -1.593 -17.243 8.448 1.00 0.00 N flip ATOM 0 H GLN A 4 -0.572 -12.637 8.714 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.141 -13.203 10.212 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.686 -14.919 9.491 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.132 -15.507 10.287 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.453 -14.671 8.219 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.903 -14.435 7.434 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -0.977 -16.870 9.170 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.564 -18.236 8.216 1.00 0.00 H new ATOM 66 N ASP A 5 -2.139 -12.809 12.406 1.00 0.00 N ATOM 67 CA ASP A 5 -1.531 -12.558 13.743 1.00 0.00 C ATOM 68 C ASP A 5 -1.732 -13.787 14.633 1.00 0.00 C ATOM 69 O ASP A 5 -1.518 -13.747 15.829 1.00 0.00 O ATOM 70 CB ASP A 5 -2.283 -11.353 14.306 1.00 0.00 C ATOM 71 CG ASP A 5 -3.776 -11.677 14.387 1.00 0.00 C ATOM 72 OD1 ASP A 5 -4.115 -12.843 14.279 1.00 0.00 O ATOM 73 OD2 ASP A 5 -4.553 -10.753 14.554 1.00 0.00 O ATOM 0 H ASP A 5 -3.156 -12.738 12.373 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.459 -12.368 13.688 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.900 -11.101 15.295 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.123 -10.482 13.671 1.00 0.00 H new ATOM 78 N GLY A 6 -2.145 -14.880 14.051 1.00 0.00 N ATOM 79 CA GLY A 6 -2.369 -16.120 14.845 1.00 0.00 C ATOM 80 C GLY A 6 -2.837 -17.239 13.910 1.00 0.00 C ATOM 81 O GLY A 6 -2.343 -17.389 12.810 1.00 0.00 O ATOM 0 H GLY A 6 -2.338 -14.967 13.053 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.449 -16.413 15.351 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.115 -15.941 15.619 1.00 0.00 H new ATOM 85 N ASN A 7 -3.789 -18.023 14.336 1.00 0.00 N ATOM 86 CA ASN A 7 -4.288 -19.130 13.469 1.00 0.00 C ATOM 87 C ASN A 7 -5.432 -18.631 12.580 1.00 0.00 C ATOM 88 O ASN A 7 -6.216 -19.405 12.066 1.00 0.00 O ATOM 89 CB ASN A 7 -4.793 -20.196 14.441 1.00 0.00 C ATOM 90 CG ASN A 7 -3.625 -20.721 15.277 1.00 0.00 C ATOM 91 OD1 ASN A 7 -2.478 -20.540 14.921 1.00 0.00 O ATOM 92 ND2 ASN A 7 -3.870 -21.369 16.383 1.00 0.00 N ATOM 0 H ASN A 7 -4.243 -17.946 15.246 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.514 -19.516 12.805 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.559 -19.775 15.092 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.256 -21.015 13.890 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.098 -21.723 16.948 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.833 -21.521 16.682 1.00 0.00 H new ATOM 99 N PHE A 8 -5.535 -17.343 12.400 1.00 0.00 N ATOM 100 CA PHE A 8 -6.630 -16.793 11.551 1.00 0.00 C ATOM 101 C PHE A 8 -6.053 -15.876 10.467 1.00 0.00 C ATOM 102 O PHE A 8 -4.957 -15.366 10.590 1.00 0.00 O ATOM 103 CB PHE A 8 -7.512 -16.002 12.517 1.00 0.00 C ATOM 104 CG PHE A 8 -8.149 -16.951 13.505 1.00 0.00 C ATOM 105 CD1 PHE A 8 -9.352 -17.592 13.184 1.00 0.00 C ATOM 106 CD2 PHE A 8 -7.536 -17.191 14.741 1.00 0.00 C ATOM 107 CE1 PHE A 8 -9.941 -18.473 14.098 1.00 0.00 C ATOM 108 CE2 PHE A 8 -8.125 -18.072 15.655 1.00 0.00 C ATOM 109 CZ PHE A 8 -9.328 -18.712 15.334 1.00 0.00 C ATOM 0 H PHE A 8 -4.908 -16.647 12.804 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.188 -17.574 11.034 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.916 -15.257 13.044 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.282 -15.463 11.965 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.825 -17.406 12.231 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.609 -16.696 14.989 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.868 -18.968 13.850 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.652 -18.258 16.608 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.784 -19.390 16.040 1.00 0.00 H new ATOM 119 N SER A 9 -6.782 -15.663 9.404 1.00 0.00 N ATOM 120 CA SER A 9 -6.275 -14.782 8.311 1.00 0.00 C ATOM 121 C SER A 9 -6.943 -13.405 8.381 1.00 0.00 C ATOM 122 O SER A 9 -8.139 -13.276 8.212 1.00 0.00 O ATOM 123 CB SER A 9 -6.655 -15.502 7.016 1.00 0.00 C ATOM 124 OG SER A 9 -5.949 -16.732 6.935 1.00 0.00 O ATOM 0 H SER A 9 -7.707 -16.061 9.245 1.00 0.00 H new ATOM 0 HA SER A 9 -5.201 -14.612 8.383 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.729 -15.684 6.990 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.417 -14.876 6.156 1.00 0.00 H new ATOM 0 HG SER A 9 -4.985 -16.558 6.954 1.00 0.00 H new ATOM 130 N PHE A 10 -6.177 -12.377 8.632 1.00 0.00 N ATOM 131 CA PHE A 10 -6.766 -11.008 8.720 1.00 0.00 C ATOM 132 C PHE A 10 -6.201 -10.106 7.617 1.00 0.00 C ATOM 133 O PHE A 10 -5.003 -9.988 7.452 1.00 0.00 O ATOM 134 CB PHE A 10 -6.345 -10.490 10.096 1.00 0.00 C ATOM 135 CG PHE A 10 -6.839 -11.433 11.169 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.938 -12.263 10.921 1.00 0.00 C ATOM 137 CD2 PHE A 10 -6.196 -11.476 12.412 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.394 -13.135 11.916 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.652 -12.348 13.405 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.751 -13.177 13.158 1.00 0.00 C ATOM 0 H PHE A 10 -5.169 -12.425 8.780 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.849 -11.019 8.594 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.260 -10.404 10.146 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.752 -9.492 10.260 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.434 -12.231 9.962 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.348 -10.836 12.604 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.242 -13.776 11.725 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.155 -12.382 14.363 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.103 -13.850 13.926 1.00 0.00 H new ATOM 150 N SER A 11 -7.055 -9.465 6.864 1.00 0.00 N ATOM 151 CA SER A 11 -6.566 -8.568 5.777 1.00 0.00 C ATOM 152 C SER A 11 -6.043 -7.255 6.372 1.00 0.00 C ATOM 153 O SER A 11 -6.205 -6.987 7.546 1.00 0.00 O ATOM 154 CB SER A 11 -7.789 -8.309 4.897 1.00 0.00 C ATOM 155 OG SER A 11 -7.411 -7.516 3.782 1.00 0.00 O ATOM 0 H SER A 11 -8.069 -9.524 6.955 1.00 0.00 H new ATOM 0 HA SER A 11 -5.745 -9.011 5.213 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.213 -9.254 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.563 -7.801 5.472 1.00 0.00 H new ATOM 0 HG SER A 11 -8.195 -7.351 3.217 1.00 0.00 H new ATOM 161 N LEU A 12 -5.408 -6.439 5.574 1.00 0.00 N ATOM 162 CA LEU A 12 -4.867 -5.151 6.102 1.00 0.00 C ATOM 163 C LEU A 12 -5.881 -4.016 5.903 1.00 0.00 C ATOM 164 O LEU A 12 -5.783 -2.971 6.515 1.00 0.00 O ATOM 165 CB LEU A 12 -3.601 -4.888 5.281 1.00 0.00 C ATOM 166 CG LEU A 12 -2.521 -5.903 5.665 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.958 -7.303 5.232 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.208 -5.542 4.965 1.00 0.00 C ATOM 0 H LEU A 12 -5.240 -6.607 4.582 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.661 -5.202 7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.823 -4.963 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.243 -3.874 5.461 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.375 -5.885 6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.189 -8.025 5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.893 -7.562 5.729 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.105 -7.321 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.439 -6.265 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.355 -5.559 3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.894 -4.544 5.272 1.00 0.00 H new ATOM 180 N GLU A 13 -6.850 -4.211 5.051 1.00 0.00 N ATOM 181 CA GLU A 13 -7.864 -3.141 4.814 1.00 0.00 C ATOM 182 C GLU A 13 -8.675 -2.882 6.088 1.00 0.00 C ATOM 183 O GLU A 13 -8.523 -1.865 6.736 1.00 0.00 O ATOM 184 CB GLU A 13 -8.768 -3.687 3.708 1.00 0.00 C ATOM 185 CG GLU A 13 -7.941 -3.931 2.445 1.00 0.00 C ATOM 186 CD GLU A 13 -8.858 -4.428 1.325 1.00 0.00 C ATOM 187 OE1 GLU A 13 -10.009 -4.715 1.613 1.00 0.00 O ATOM 188 OE2 GLU A 13 -8.395 -4.510 0.199 1.00 0.00 O ATOM 0 H GLU A 13 -6.985 -5.064 4.508 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.402 -2.194 4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.237 -4.616 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.571 -2.980 3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.442 -3.011 2.140 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.161 -4.666 2.644 1.00 0.00 H new ATOM 195 N SER A 14 -9.536 -3.793 6.452 1.00 0.00 N ATOM 196 CA SER A 14 -10.358 -3.597 7.683 1.00 0.00 C ATOM 197 C SER A 14 -9.497 -3.038 8.814 1.00 0.00 C ATOM 198 O SER A 14 -9.827 -2.041 9.428 1.00 0.00 O ATOM 199 CB SER A 14 -10.868 -4.989 8.047 1.00 0.00 C ATOM 200 OG SER A 14 -11.351 -5.637 6.880 1.00 0.00 O ATOM 0 H SER A 14 -9.707 -4.665 5.951 1.00 0.00 H new ATOM 0 HA SER A 14 -11.172 -2.890 7.522 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.066 -5.576 8.496 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.663 -4.914 8.789 1.00 0.00 H new ATOM 0 HG SER A 14 -11.677 -6.531 7.113 1.00 0.00 H new ATOM 206 N VAL A 15 -8.389 -3.666 9.093 1.00 0.00 N ATOM 207 CA VAL A 15 -7.510 -3.162 10.181 1.00 0.00 C ATOM 208 C VAL A 15 -7.137 -1.707 9.905 1.00 0.00 C ATOM 209 O VAL A 15 -7.259 -0.855 10.762 1.00 0.00 O ATOM 210 CB VAL A 15 -6.290 -4.075 10.145 1.00 0.00 C ATOM 211 CG1 VAL A 15 -5.180 -3.492 11.024 1.00 0.00 C ATOM 212 CG2 VAL A 15 -6.702 -5.447 10.678 1.00 0.00 C ATOM 0 H VAL A 15 -8.056 -4.504 8.616 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.985 -3.177 11.162 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.918 -4.164 9.124 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.310 -4.148 10.995 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.903 -2.505 10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.536 -3.407 12.051 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.842 -6.117 10.661 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.063 -5.346 11.701 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.494 -5.857 10.052 1.00 0.00 H new ATOM 222 N LYS A 16 -6.711 -1.406 8.710 1.00 0.00 N ATOM 223 CA LYS A 16 -6.370 0.006 8.390 1.00 0.00 C ATOM 224 C LYS A 16 -7.579 0.886 8.708 1.00 0.00 C ATOM 225 O LYS A 16 -7.496 1.832 9.466 1.00 0.00 O ATOM 226 CB LYS A 16 -6.073 0.012 6.891 1.00 0.00 C ATOM 227 CG LYS A 16 -5.844 1.449 6.421 1.00 0.00 C ATOM 228 CD LYS A 16 -5.638 1.462 4.905 1.00 0.00 C ATOM 229 CE LYS A 16 -6.949 1.086 4.212 1.00 0.00 C ATOM 230 NZ LYS A 16 -7.341 2.304 3.448 1.00 0.00 N ATOM 0 H LYS A 16 -6.585 -2.071 7.947 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.523 0.385 8.962 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.192 -0.595 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.904 -0.433 6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.698 2.071 6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.973 1.872 6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.312 2.450 4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.852 0.759 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.815 0.230 3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.715 0.811 4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.889 2.026 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.922 2.921 4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.487 2.817 3.150 1.00 0.00 H new ATOM 244 N LYS A 17 -8.713 0.560 8.146 1.00 0.00 N ATOM 245 CA LYS A 17 -9.946 1.350 8.423 1.00 0.00 C ATOM 246 C LYS A 17 -10.554 0.916 9.759 1.00 0.00 C ATOM 247 O LYS A 17 -11.684 1.238 10.068 1.00 0.00 O ATOM 248 CB LYS A 17 -10.899 1.014 7.278 1.00 0.00 C ATOM 249 CG LYS A 17 -10.305 1.496 5.956 1.00 0.00 C ATOM 250 CD LYS A 17 -11.310 1.250 4.829 1.00 0.00 C ATOM 251 CE LYS A 17 -10.647 1.531 3.482 1.00 0.00 C ATOM 252 NZ LYS A 17 -11.211 0.505 2.561 1.00 0.00 N ATOM 0 H LYS A 17 -8.838 -0.223 7.504 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.745 2.419 8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.072 -0.062 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.867 1.486 7.447 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.064 2.557 6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.374 0.969 5.749 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.665 0.220 4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.181 1.892 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.869 2.540 3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.562 1.449 3.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.435 -0.014 2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.801 -0.160 3.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.791 0.972 1.835 1.00 0.00 H new ATOM 266 N LEU A 18 -9.817 0.191 10.557 1.00 0.00 N ATOM 267 CA LEU A 18 -10.353 -0.259 11.873 1.00 0.00 C ATOM 268 C LEU A 18 -10.584 0.948 12.787 1.00 0.00 C ATOM 269 O LEU A 18 -11.520 0.983 13.561 1.00 0.00 O ATOM 270 CB LEU A 18 -9.253 -1.168 12.427 1.00 0.00 C ATOM 271 CG LEU A 18 -9.791 -2.011 13.585 1.00 0.00 C ATOM 272 CD1 LEU A 18 -8.774 -3.104 13.927 1.00 0.00 C ATOM 273 CD2 LEU A 18 -10.014 -1.125 14.812 1.00 0.00 C ATOM 0 H LEU A 18 -8.864 -0.110 10.353 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.312 -0.772 11.795 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.879 -1.820 11.637 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.411 -0.565 12.768 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.738 -2.464 13.293 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.152 -3.708 14.752 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.615 -3.739 13.055 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.829 -2.644 14.218 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.397 -1.731 15.633 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.069 -0.668 15.108 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.735 -0.344 14.570 1.00 0.00 H new ATOM 285 N LYS A 19 -9.743 1.944 12.695 1.00 0.00 N ATOM 286 CA LYS A 19 -9.918 3.154 13.551 1.00 0.00 C ATOM 287 C LYS A 19 -10.640 4.248 12.759 1.00 0.00 C ATOM 288 O LYS A 19 -10.435 4.402 11.571 1.00 0.00 O ATOM 289 CB LYS A 19 -8.499 3.598 13.910 1.00 0.00 C ATOM 290 CG LYS A 19 -7.806 2.500 14.719 1.00 0.00 C ATOM 291 CD LYS A 19 -6.420 2.984 15.154 1.00 0.00 C ATOM 292 CE LYS A 19 -5.674 1.842 15.846 1.00 0.00 C ATOM 293 NZ LYS A 19 -5.739 2.169 17.300 1.00 0.00 N ATOM 0 H LYS A 19 -8.942 1.972 12.064 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.514 2.952 14.441 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.932 3.808 13.003 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.531 4.523 14.486 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.405 2.245 15.593 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.715 1.594 14.120 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.855 3.329 14.288 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.516 3.833 15.831 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.141 0.880 15.636 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.642 1.777 15.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.339 1.383 17.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.194 3.035 17.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.730 2.317 17.578 1.00 0.00 H new ATOM 307 N ASP A 20 -11.483 5.008 13.402 1.00 0.00 N ATOM 308 CA ASP A 20 -12.213 6.086 12.674 1.00 0.00 C ATOM 309 C ASP A 20 -12.928 5.501 11.452 1.00 0.00 C ATOM 310 O ASP A 20 -12.827 6.015 10.356 1.00 0.00 O ATOM 311 CB ASP A 20 -11.131 7.075 12.239 1.00 0.00 C ATOM 312 CG ASP A 20 -10.474 7.691 13.477 1.00 0.00 C ATOM 313 OD1 ASP A 20 -11.044 7.569 14.548 1.00 0.00 O ATOM 314 OD2 ASP A 20 -9.411 8.272 13.332 1.00 0.00 O ATOM 0 H ASP A 20 -11.698 4.931 14.396 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.973 6.563 13.293 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.382 6.567 11.632 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.567 7.858 11.618 1.00 0.00 H new ATOM 319 N LEU A 21 -13.646 4.426 11.634 1.00 0.00 N ATOM 320 CA LEU A 21 -14.364 3.802 10.484 1.00 0.00 C ATOM 321 C LEU A 21 -15.723 4.480 10.276 1.00 0.00 C ATOM 322 O LEU A 21 -16.503 4.626 11.197 1.00 0.00 O ATOM 323 CB LEU A 21 -14.549 2.337 10.883 1.00 0.00 C ATOM 324 CG LEU A 21 -15.241 1.580 9.748 1.00 0.00 C ATOM 325 CD1 LEU A 21 -14.245 0.628 9.085 1.00 0.00 C ATOM 326 CD2 LEU A 21 -16.415 0.777 10.313 1.00 0.00 C ATOM 0 H LEU A 21 -13.767 3.952 12.529 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.814 3.904 9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.582 1.884 11.099 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.144 2.270 11.794 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.608 2.292 9.009 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.739 0.089 8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.409 1.199 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.876 -0.084 9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.909 0.237 9.505 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.047 0.066 11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -17.126 1.455 10.784 1.00 0.00 H new ATOM 338 N GLN A 22 -16.008 4.893 9.071 1.00 0.00 N ATOM 339 CA GLN A 22 -17.315 5.561 8.797 1.00 0.00 C ATOM 340 C GLN A 22 -18.468 4.587 9.050 1.00 0.00 C ATOM 341 O GLN A 22 -18.267 3.398 9.198 1.00 0.00 O ATOM 342 CB GLN A 22 -17.255 5.950 7.319 1.00 0.00 C ATOM 343 CG GLN A 22 -18.284 7.046 7.035 1.00 0.00 C ATOM 344 CD GLN A 22 -17.819 8.360 7.668 1.00 0.00 C ATOM 345 OE1 GLN A 22 -16.766 8.868 7.334 1.00 0.00 O ATOM 346 NE2 GLN A 22 -18.563 8.935 8.573 1.00 0.00 N ATOM 0 H GLN A 22 -15.393 4.797 8.263 1.00 0.00 H new ATOM 0 HA GLN A 22 -17.483 6.425 9.440 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.255 6.301 7.065 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.455 5.079 6.695 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -18.409 7.172 5.960 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -19.256 6.760 7.437 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -19.446 8.509 8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -18.261 9.811 9.000 1.00 0.00 H new ATOM 355 N GLU A 23 -19.675 5.080 9.103 1.00 0.00 N ATOM 356 CA GLU A 23 -20.838 4.180 9.347 1.00 0.00 C ATOM 357 C GLU A 23 -20.717 2.910 8.493 1.00 0.00 C ATOM 358 O GLU A 23 -20.749 1.814 9.017 1.00 0.00 O ATOM 359 CB GLU A 23 -22.064 4.995 8.938 1.00 0.00 C ATOM 360 CG GLU A 23 -22.827 5.434 10.191 1.00 0.00 C ATOM 361 CD GLU A 23 -23.997 4.480 10.437 1.00 0.00 C ATOM 362 OE1 GLU A 23 -25.043 4.691 9.843 1.00 0.00 O ATOM 363 OE2 GLU A 23 -23.828 3.556 11.214 1.00 0.00 O ATOM 0 H GLU A 23 -19.906 6.067 8.988 1.00 0.00 H new ATOM 0 HA GLU A 23 -20.898 3.854 10.385 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -21.758 5.868 8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -22.712 4.399 8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -22.160 5.438 11.053 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -23.194 6.453 10.068 1.00 0.00 H new ATOM 370 N PRO A 24 -20.582 3.093 7.202 1.00 0.00 N ATOM 371 CA PRO A 24 -20.454 1.941 6.278 1.00 0.00 C ATOM 372 C PRO A 24 -19.185 1.142 6.589 1.00 0.00 C ATOM 373 O PRO A 24 -18.131 1.699 6.818 1.00 0.00 O ATOM 374 CB PRO A 24 -20.350 2.617 4.908 1.00 0.00 C ATOM 375 CG PRO A 24 -20.417 4.145 5.103 1.00 0.00 C ATOM 376 CD PRO A 24 -20.551 4.449 6.601 1.00 0.00 C ATOM 0 HA PRO A 24 -21.279 1.232 6.348 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -19.416 2.339 4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -21.160 2.283 4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.520 4.616 4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.265 4.558 4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -19.713 5.038 6.972 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -21.458 5.011 6.821 1.00 0.00 H new ATOM 384 N GLN A 25 -19.275 -0.161 6.593 1.00 0.00 N ATOM 385 CA GLN A 25 -18.069 -0.989 6.884 1.00 0.00 C ATOM 386 C GLN A 25 -16.961 -0.664 5.882 1.00 0.00 C ATOM 387 O GLN A 25 -15.796 -0.605 6.221 1.00 0.00 O ATOM 388 CB GLN A 25 -18.531 -2.437 6.719 1.00 0.00 C ATOM 389 CG GLN A 25 -19.614 -2.750 7.752 1.00 0.00 C ATOM 390 CD GLN A 25 -20.090 -4.193 7.573 1.00 0.00 C ATOM 391 OE1 GLN A 25 -19.896 -4.783 6.528 1.00 0.00 O ATOM 392 NE2 GLN A 25 -20.707 -4.790 8.554 1.00 0.00 N ATOM 0 H GLN A 25 -20.129 -0.687 6.408 1.00 0.00 H new ATOM 0 HA GLN A 25 -17.668 -0.803 7.880 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -18.918 -2.593 5.712 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.687 -3.115 6.845 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.222 -2.608 8.759 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -20.452 -2.063 7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.870 -4.295 9.431 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -21.027 -5.752 8.445 1.00 0.00 H new ATOM 401 N GLU A 26 -17.322 -0.452 4.649 1.00 0.00 N ATOM 402 CA GLU A 26 -16.302 -0.128 3.611 1.00 0.00 C ATOM 403 C GLU A 26 -16.972 0.572 2.423 1.00 0.00 C ATOM 404 O GLU A 26 -17.385 -0.071 1.478 1.00 0.00 O ATOM 405 CB GLU A 26 -15.726 -1.479 3.186 1.00 0.00 C ATOM 406 CG GLU A 26 -14.717 -1.956 4.233 1.00 0.00 C ATOM 407 CD GLU A 26 -15.404 -2.925 5.198 1.00 0.00 C ATOM 408 OE1 GLU A 26 -16.572 -3.207 4.991 1.00 0.00 O ATOM 409 OE2 GLU A 26 -14.749 -3.369 6.126 1.00 0.00 O ATOM 0 H GLU A 26 -18.284 -0.489 4.312 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.527 0.543 3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.527 -2.210 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.242 -1.390 2.213 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.875 -2.447 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.315 -1.104 4.781 1.00 0.00 H new ATOM 416 N PRO A 27 -17.065 1.872 2.517 1.00 0.00 N ATOM 417 CA PRO A 27 -17.698 2.677 1.446 1.00 0.00 C ATOM 418 C PRO A 27 -16.941 2.518 0.126 1.00 0.00 C ATOM 419 O PRO A 27 -17.521 2.560 -0.942 1.00 0.00 O ATOM 420 CB PRO A 27 -17.576 4.106 1.984 1.00 0.00 C ATOM 421 CG PRO A 27 -16.872 4.061 3.355 1.00 0.00 C ATOM 422 CD PRO A 27 -16.541 2.602 3.695 1.00 0.00 C ATOM 0 HA PRO A 27 -18.725 2.384 1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -17.009 4.724 1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -18.563 4.559 2.081 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -15.961 4.659 3.331 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -17.515 4.491 4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -15.470 2.448 3.824 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -17.023 2.281 4.619 1.00 0.00 H new ATOM 430 N ARG A 28 -15.653 2.339 0.187 1.00 0.00 N ATOM 431 CA ARG A 28 -14.862 2.180 -1.067 1.00 0.00 C ATOM 432 C ARG A 28 -13.749 1.148 -0.871 1.00 0.00 C ATOM 433 O ARG A 28 -13.044 1.159 0.118 1.00 0.00 O ATOM 434 CB ARG A 28 -14.269 3.564 -1.338 1.00 0.00 C ATOM 435 CG ARG A 28 -15.400 4.558 -1.612 1.00 0.00 C ATOM 436 CD ARG A 28 -14.806 5.906 -2.023 1.00 0.00 C ATOM 437 NE ARG A 28 -15.959 6.850 -2.010 1.00 0.00 N ATOM 438 CZ ARG A 28 -16.233 7.559 -3.070 1.00 0.00 C ATOM 439 NH1 ARG A 28 -17.183 7.182 -3.881 1.00 0.00 N ATOM 440 NH2 ARG A 28 -15.557 8.648 -3.320 1.00 0.00 N ATOM 0 H ARG A 28 -15.112 2.296 1.050 1.00 0.00 H new ATOM 0 HA ARG A 28 -15.474 1.827 -1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.680 3.893 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.593 3.521 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -16.049 4.179 -2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -16.018 4.677 -0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.027 6.223 -1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.350 5.852 -3.011 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.534 6.942 -1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.712 6.332 -3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.396 7.737 -4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.815 8.944 -2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.771 9.202 -4.149 1.00 0.00 H new ATOM 454 N VAL A 29 -13.588 0.254 -1.809 1.00 0.00 N ATOM 455 CA VAL A 29 -12.520 -0.780 -1.679 1.00 0.00 C ATOM 456 C VAL A 29 -11.643 -0.790 -2.934 1.00 0.00 C ATOM 457 O VAL A 29 -12.133 -0.760 -4.045 1.00 0.00 O ATOM 458 CB VAL A 29 -13.269 -2.106 -1.540 1.00 0.00 C ATOM 459 CG1 VAL A 29 -12.266 -3.233 -1.289 1.00 0.00 C ATOM 460 CG2 VAL A 29 -14.245 -2.021 -0.365 1.00 0.00 C ATOM 0 H VAL A 29 -14.149 0.195 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.862 -0.592 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.822 -2.309 -2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.799 -4.179 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.571 -3.294 -2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.713 -3.030 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.779 -2.966 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.693 -1.818 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.960 -1.218 -0.543 1.00 0.00 H new ATOM 470 N GLY A 30 -10.350 -0.832 -2.765 1.00 0.00 N ATOM 471 CA GLY A 30 -9.445 -0.843 -3.949 1.00 0.00 C ATOM 472 C GLY A 30 -8.001 -1.043 -3.490 1.00 0.00 C ATOM 473 O GLY A 30 -7.734 -1.285 -2.329 1.00 0.00 O ATOM 0 H GLY A 30 -9.881 -0.859 -1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.734 -1.642 -4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.536 0.094 -4.498 1.00 0.00 H new ATOM 477 N LYS A 31 -7.065 -0.940 -4.391 1.00 0.00 N ATOM 478 CA LYS A 31 -5.635 -1.122 -4.010 1.00 0.00 C ATOM 479 C LYS A 31 -5.221 -0.056 -2.992 1.00 0.00 C ATOM 480 O LYS A 31 -4.256 -0.215 -2.271 1.00 0.00 O ATOM 481 CB LYS A 31 -4.858 -0.952 -5.314 1.00 0.00 C ATOM 482 CG LYS A 31 -3.363 -1.133 -5.045 1.00 0.00 C ATOM 483 CD LYS A 31 -2.575 -0.779 -6.308 1.00 0.00 C ATOM 484 CE LYS A 31 -1.100 -1.132 -6.105 1.00 0.00 C ATOM 485 NZ LYS A 31 -0.533 -1.208 -7.480 1.00 0.00 N ATOM 0 H LYS A 31 -7.228 -0.737 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.447 -2.091 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.197 -1.682 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.046 0.036 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.051 -0.496 -4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.157 -2.162 -4.750 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.976 -1.323 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.679 0.283 -6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.591 -0.375 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.989 -2.080 -5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.478 -1.446 -7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.033 -1.941 -8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.647 -0.289 -7.954 1.00 0.00 H new ATOM 499 N LEU A 32 -5.942 1.029 -2.929 1.00 0.00 N ATOM 500 CA LEU A 32 -5.588 2.104 -1.959 1.00 0.00 C ATOM 501 C LEU A 32 -5.538 1.536 -0.537 1.00 0.00 C ATOM 502 O LEU A 32 -6.541 1.131 0.015 1.00 0.00 O ATOM 503 CB LEU A 32 -6.705 3.139 -2.086 1.00 0.00 C ATOM 504 CG LEU A 32 -6.707 3.711 -3.507 1.00 0.00 C ATOM 505 CD1 LEU A 32 -7.656 4.911 -3.573 1.00 0.00 C ATOM 506 CD2 LEU A 32 -5.293 4.159 -3.878 1.00 0.00 C ATOM 0 H LEU A 32 -6.761 1.218 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.609 2.538 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.669 2.680 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.559 3.939 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.041 2.945 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.658 5.318 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.664 4.592 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.322 5.678 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.294 4.566 -4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.959 4.925 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.617 3.305 -3.831 1.00 0.00 H new ATOM 518 N ARG A 33 -4.377 1.506 0.057 1.00 0.00 N ATOM 519 CA ARG A 33 -4.260 0.967 1.442 1.00 0.00 C ATOM 520 C ARG A 33 -3.028 1.560 2.132 1.00 0.00 C ATOM 521 O ARG A 33 -2.399 2.465 1.623 1.00 0.00 O ATOM 522 CB ARG A 33 -4.111 -0.546 1.272 1.00 0.00 C ATOM 523 CG ARG A 33 -2.738 -0.859 0.674 1.00 0.00 C ATOM 524 CD ARG A 33 -2.690 -2.327 0.249 1.00 0.00 C ATOM 525 NE ARG A 33 -1.284 -2.550 -0.191 1.00 0.00 N ATOM 526 CZ ARG A 33 -1.013 -2.706 -1.457 1.00 0.00 C ATOM 527 NH1 ARG A 33 -1.680 -2.034 -2.355 1.00 0.00 N ATOM 528 NH2 ARG A 33 -0.075 -3.535 -1.828 1.00 0.00 N ATOM 0 H ARG A 33 -3.503 1.832 -0.357 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.122 1.219 2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.222 -1.044 2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.898 -0.929 0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.548 -0.214 -0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.956 -0.655 1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.955 -2.987 1.075 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.394 -2.528 -0.559 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.533 -2.581 0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.414 -1.387 -2.067 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.468 -2.156 -3.345 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.447 -4.061 -1.127 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.136 -3.656 -2.819 1.00 0.00 H new ATOM 542 N ASN A 34 -2.682 1.060 3.286 1.00 0.00 N ATOM 543 CA ASN A 34 -1.494 1.601 4.008 1.00 0.00 C ATOM 544 C ASN A 34 -1.705 3.085 4.326 1.00 0.00 C ATOM 545 O ASN A 34 -0.846 3.911 4.086 1.00 0.00 O ATOM 546 CB ASN A 34 -0.319 1.413 3.048 1.00 0.00 C ATOM 547 CG ASN A 34 -0.113 -0.080 2.780 1.00 0.00 C ATOM 548 OD1 ASN A 34 -0.589 -0.914 3.524 1.00 0.00 O ATOM 549 ND2 ASN A 34 0.582 -0.454 1.740 1.00 0.00 N ATOM 0 H ASN A 34 -3.170 0.300 3.761 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.320 1.094 4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -0.512 1.938 2.113 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.586 1.845 3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.725 -1.446 1.552 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.982 0.246 1.115 1.00 0.00 H new ATOM 556 N PHE A 35 -2.842 3.425 4.868 1.00 0.00 N ATOM 557 CA PHE A 35 -3.116 4.851 5.208 1.00 0.00 C ATOM 558 C PHE A 35 -3.587 4.966 6.661 1.00 0.00 C ATOM 559 O PHE A 35 -3.956 6.027 7.122 1.00 0.00 O ATOM 560 CB PHE A 35 -4.231 5.279 4.254 1.00 0.00 C ATOM 561 CG PHE A 35 -3.677 5.421 2.855 1.00 0.00 C ATOM 562 CD1 PHE A 35 -2.887 6.530 2.525 1.00 0.00 C ATOM 563 CD2 PHE A 35 -3.954 4.447 1.890 1.00 0.00 C ATOM 564 CE1 PHE A 35 -2.374 6.663 1.229 1.00 0.00 C ATOM 565 CE2 PHE A 35 -3.441 4.580 0.594 1.00 0.00 C ATOM 566 CZ PHE A 35 -2.651 5.687 0.264 1.00 0.00 C ATOM 0 H PHE A 35 -3.596 2.775 5.091 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.229 5.476 5.108 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.034 4.543 4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.661 6.225 4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.674 7.282 3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.563 3.593 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.765 7.518 0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.655 3.828 -0.151 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.255 5.789 -0.736 1.00 0.00 H new ATOM 576 N ALA A 36 -3.582 3.878 7.382 1.00 0.00 N ATOM 577 CA ALA A 36 -4.036 3.919 8.802 1.00 0.00 C ATOM 578 C ALA A 36 -3.079 4.764 9.650 1.00 0.00 C ATOM 579 O ALA A 36 -1.939 4.968 9.284 1.00 0.00 O ATOM 580 CB ALA A 36 -4.016 2.462 9.264 1.00 0.00 C ATOM 0 H ALA A 36 -3.283 2.961 7.049 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.024 4.369 8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.339 2.406 10.304 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.691 1.874 8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.004 2.066 9.176 1.00 0.00 H new ATOM 586 N PRO A 37 -3.585 5.229 10.765 1.00 0.00 N ATOM 587 CA PRO A 37 -2.779 6.061 11.689 1.00 0.00 C ATOM 588 C PRO A 37 -1.592 5.264 12.243 1.00 0.00 C ATOM 589 O PRO A 37 -1.069 4.380 11.593 1.00 0.00 O ATOM 590 CB PRO A 37 -3.781 6.391 12.800 1.00 0.00 C ATOM 591 CG PRO A 37 -5.130 5.724 12.466 1.00 0.00 C ATOM 592 CD PRO A 37 -4.985 4.946 11.153 1.00 0.00 C ATOM 0 HA PRO A 37 -2.347 6.944 11.217 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.411 6.033 13.761 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.905 7.470 12.888 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.429 5.053 13.271 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.911 6.478 12.373 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.160 3.879 11.292 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.692 5.289 10.398 1.00 0.00 H new ATOM 600 N ILE A 38 -1.167 5.572 13.438 1.00 0.00 N ATOM 601 CA ILE A 38 -0.016 4.834 14.036 1.00 0.00 C ATOM 602 C ILE A 38 -0.507 3.913 15.158 1.00 0.00 C ATOM 603 O ILE A 38 -1.417 4.257 15.887 1.00 0.00 O ATOM 604 CB ILE A 38 0.901 5.921 14.600 1.00 0.00 C ATOM 605 CG1 ILE A 38 1.160 6.979 13.526 1.00 0.00 C ATOM 606 CG2 ILE A 38 2.228 5.296 15.032 1.00 0.00 C ATOM 607 CD1 ILE A 38 0.042 8.023 13.557 1.00 0.00 C ATOM 0 H ILE A 38 -1.567 6.303 14.027 1.00 0.00 H new ATOM 0 HA ILE A 38 0.496 4.206 13.308 1.00 0.00 H new ATOM 0 HB ILE A 38 0.423 6.388 15.461 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.124 7.458 13.697 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.207 6.510 12.543 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.881 6.071 15.434 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.043 4.543 15.799 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.707 4.828 14.172 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.227 8.777 12.792 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.915 7.537 13.365 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.016 8.500 14.537 1.00 0.00 H new ATOM 619 N PRO A 39 0.114 2.767 15.265 1.00 0.00 N ATOM 620 CA PRO A 39 -0.263 1.787 16.310 1.00 0.00 C ATOM 621 C PRO A 39 -0.055 2.382 17.704 1.00 0.00 C ATOM 622 O PRO A 39 0.536 3.432 17.861 1.00 0.00 O ATOM 623 CB PRO A 39 0.707 0.631 16.055 1.00 0.00 C ATOM 624 CG PRO A 39 1.612 0.998 14.862 1.00 0.00 C ATOM 625 CD PRO A 39 1.220 2.391 14.353 1.00 0.00 C ATOM 0 HA PRO A 39 -1.310 1.485 16.270 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.311 0.442 16.943 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.156 -0.285 15.843 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.659 0.988 15.166 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.504 0.261 14.066 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.051 3.093 14.412 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.897 2.367 13.312 1.00 0.00 H new ATOM 633 N GLY A 40 -0.539 1.721 18.719 1.00 0.00 N ATOM 634 CA GLY A 40 -0.369 2.250 20.101 1.00 0.00 C ATOM 635 C GLY A 40 -1.745 2.475 20.733 1.00 0.00 C ATOM 636 O GLY A 40 -1.860 3.002 21.822 1.00 0.00 O ATOM 0 H GLY A 40 -1.045 0.838 18.651 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.209 1.548 20.702 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.190 3.185 20.078 1.00 0.00 H new ATOM 640 N GLU A 41 -2.789 2.079 20.058 1.00 0.00 N ATOM 641 CA GLU A 41 -4.156 2.270 20.622 1.00 0.00 C ATOM 642 C GLU A 41 -4.973 0.983 20.473 1.00 0.00 C ATOM 643 O GLU A 41 -5.855 0.901 19.640 1.00 0.00 O ATOM 644 CB GLU A 41 -4.772 3.396 19.791 1.00 0.00 C ATOM 645 CG GLU A 41 -4.975 4.630 20.674 1.00 0.00 C ATOM 646 CD GLU A 41 -5.501 5.786 19.822 1.00 0.00 C ATOM 647 OE1 GLU A 41 -4.975 5.987 18.739 1.00 0.00 O ATOM 648 OE2 GLU A 41 -6.422 6.453 20.266 1.00 0.00 O ATOM 0 H GLU A 41 -2.755 1.632 19.142 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.136 2.512 21.685 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.122 3.640 18.951 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.726 3.074 19.373 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.679 4.405 21.475 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.034 4.911 21.146 1.00 0.00 H new ATOM 655 N PRO A 42 -4.650 0.014 21.289 1.00 0.00 N ATOM 656 CA PRO A 42 -5.357 -1.286 21.256 1.00 0.00 C ATOM 657 C PRO A 42 -6.845 -1.092 21.557 1.00 0.00 C ATOM 658 O PRO A 42 -7.225 -0.233 22.327 1.00 0.00 O ATOM 659 CB PRO A 42 -4.664 -2.073 22.370 1.00 0.00 C ATOM 660 CG PRO A 42 -3.576 -1.184 23.003 1.00 0.00 C ATOM 661 CD PRO A 42 -3.565 0.172 22.284 1.00 0.00 C ATOM 0 HA PRO A 42 -5.314 -1.787 20.289 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.389 -2.377 23.125 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.221 -2.984 21.969 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.773 -1.046 24.066 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.601 -1.664 22.919 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.760 0.997 22.970 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.604 0.372 21.809 1.00 0.00 H new ATOM 669 N VAL A 43 -7.692 -1.881 20.952 1.00 0.00 N ATOM 670 CA VAL A 43 -9.154 -1.732 21.204 1.00 0.00 C ATOM 671 C VAL A 43 -9.788 -3.093 21.512 1.00 0.00 C ATOM 672 O VAL A 43 -9.717 -4.012 20.722 1.00 0.00 O ATOM 673 CB VAL A 43 -9.721 -1.167 19.901 1.00 0.00 C ATOM 674 CG1 VAL A 43 -11.212 -0.888 20.080 1.00 0.00 C ATOM 675 CG2 VAL A 43 -8.999 0.134 19.546 1.00 0.00 C ATOM 0 H VAL A 43 -7.436 -2.619 20.297 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.358 -1.087 22.059 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.576 -1.890 19.098 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.621 -0.485 19.153 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.728 -1.815 20.331 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.353 -0.165 20.883 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.405 0.534 18.617 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.142 0.860 20.347 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.934 -0.063 19.421 1.00 0.00 H new ATOM 685 N VAL A 44 -10.413 -3.226 22.651 1.00 0.00 N ATOM 686 CA VAL A 44 -11.055 -4.527 23.003 1.00 0.00 C ATOM 687 C VAL A 44 -12.102 -4.328 24.108 1.00 0.00 C ATOM 688 O VAL A 44 -11.982 -4.876 25.184 1.00 0.00 O ATOM 689 CB VAL A 44 -9.910 -5.414 23.495 1.00 0.00 C ATOM 690 CG1 VAL A 44 -10.476 -6.606 24.271 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.112 -5.929 22.295 1.00 0.00 C ATOM 0 H VAL A 44 -10.507 -2.492 23.353 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.578 -4.970 22.155 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.260 -4.831 24.147 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.657 -7.235 24.620 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.046 -6.245 25.127 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.128 -7.188 23.620 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.296 -6.561 22.645 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.767 -6.509 21.644 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.704 -5.084 21.740 1.00 0.00 H new ATOM 701 N PRO A 45 -13.106 -3.547 23.801 1.00 0.00 N ATOM 702 CA PRO A 45 -14.191 -3.278 24.776 1.00 0.00 C ATOM 703 C PRO A 45 -14.953 -4.569 25.087 1.00 0.00 C ATOM 704 O PRO A 45 -14.423 -5.656 24.974 1.00 0.00 O ATOM 705 CB PRO A 45 -15.080 -2.286 24.021 1.00 0.00 C ATOM 706 CG PRO A 45 -14.467 -2.028 22.630 1.00 0.00 C ATOM 707 CD PRO A 45 -13.208 -2.893 22.477 1.00 0.00 C ATOM 0 HA PRO A 45 -13.840 -2.897 25.735 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.089 -2.685 23.920 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.160 -1.352 24.577 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.188 -2.269 21.849 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.216 -0.973 22.518 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.311 -3.621 21.672 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.327 -2.291 22.253 1.00 0.00 H new ATOM 715 N ILE A 46 -16.196 -4.462 25.472 1.00 0.00 N ATOM 716 CA ILE A 46 -16.987 -5.688 25.779 1.00 0.00 C ATOM 717 C ILE A 46 -17.181 -6.510 24.503 1.00 0.00 C ATOM 718 O ILE A 46 -17.124 -7.724 24.517 1.00 0.00 O ATOM 719 CB ILE A 46 -18.330 -5.176 26.298 1.00 0.00 C ATOM 720 CG1 ILE A 46 -18.106 -4.365 27.576 1.00 0.00 C ATOM 721 CG2 ILE A 46 -19.247 -6.362 26.600 1.00 0.00 C ATOM 722 CD1 ILE A 46 -19.443 -3.802 28.064 1.00 0.00 C ATOM 0 H ILE A 46 -16.697 -3.581 25.587 1.00 0.00 H new ATOM 0 HA ILE A 46 -16.493 -6.332 26.506 1.00 0.00 H new ATOM 0 HB ILE A 46 -18.794 -4.543 25.542 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.662 -4.995 28.346 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -17.405 -3.552 27.386 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -20.205 -5.996 26.970 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -19.406 -6.940 25.690 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.784 -6.996 27.356 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -19.284 -3.224 28.974 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.869 -3.158 27.295 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -20.130 -4.623 28.271 1.00 0.00 H new ATOM 734 N LEU A 47 -17.402 -5.853 23.398 1.00 0.00 N ATOM 735 CA LEU A 47 -17.593 -6.586 22.113 1.00 0.00 C ATOM 736 C LEU A 47 -16.940 -5.804 20.971 1.00 0.00 C ATOM 737 O LEU A 47 -17.603 -5.337 20.066 1.00 0.00 O ATOM 738 CB LEU A 47 -19.109 -6.660 21.919 1.00 0.00 C ATOM 739 CG LEU A 47 -19.757 -7.249 23.175 1.00 0.00 C ATOM 740 CD1 LEU A 47 -21.279 -7.243 23.016 1.00 0.00 C ATOM 741 CD2 LEU A 47 -19.270 -8.686 23.373 1.00 0.00 C ATOM 0 H LEU A 47 -17.459 -4.837 23.329 1.00 0.00 H new ATOM 0 HA LEU A 47 -17.140 -7.577 22.125 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -19.510 -5.666 21.722 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -19.346 -7.276 21.052 1.00 0.00 H new ATOM 0 HG LEU A 47 -19.481 -6.649 24.042 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -21.740 -7.662 23.910 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -21.626 -6.219 22.875 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -21.557 -7.843 22.149 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -19.731 -9.106 24.267 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -19.546 -9.286 22.506 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -18.186 -8.690 23.487 1.00 0.00 H new ATOM 753 N CYS A 48 -15.643 -5.657 21.011 1.00 0.00 N ATOM 754 CA CYS A 48 -14.937 -4.900 19.935 1.00 0.00 C ATOM 755 C CYS A 48 -15.493 -3.476 19.844 1.00 0.00 C ATOM 756 O CYS A 48 -16.690 -3.265 19.847 1.00 0.00 O ATOM 757 CB CYS A 48 -15.222 -5.675 18.648 1.00 0.00 C ATOM 758 SG CYS A 48 -14.305 -7.236 18.670 1.00 0.00 S ATOM 0 H CYS A 48 -15.040 -6.029 21.744 1.00 0.00 H new ATOM 0 HA CYS A 48 -13.867 -4.812 20.124 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.291 -5.870 18.557 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -14.931 -5.082 17.781 1.00 0.00 H new ATOM 763 N SER A 49 -14.636 -2.496 19.772 1.00 0.00 N ATOM 764 CA SER A 49 -15.124 -1.089 19.687 1.00 0.00 C ATOM 765 C SER A 49 -15.901 -0.871 18.392 1.00 0.00 C ATOM 766 O SER A 49 -17.088 -0.613 18.406 1.00 0.00 O ATOM 767 CB SER A 49 -13.867 -0.224 19.705 1.00 0.00 C ATOM 768 OG SER A 49 -14.225 1.135 19.507 1.00 0.00 O ATOM 0 H SER A 49 -13.622 -2.607 19.768 1.00 0.00 H new ATOM 0 HA SER A 49 -15.799 -0.843 20.507 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.347 -0.339 20.656 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.179 -0.547 18.924 1.00 0.00 H new ATOM 0 HG SER A 49 -13.418 1.691 19.520 1.00 0.00 H new ATOM 774 N ASN A 50 -15.243 -0.976 17.274 1.00 0.00 N ATOM 775 CA ASN A 50 -15.945 -0.776 15.974 1.00 0.00 C ATOM 776 C ASN A 50 -16.705 -2.049 15.585 1.00 0.00 C ATOM 777 O ASN A 50 -16.101 -3.070 15.318 1.00 0.00 O ATOM 778 CB ASN A 50 -14.831 -0.489 14.966 1.00 0.00 C ATOM 779 CG ASN A 50 -14.516 1.008 14.965 1.00 0.00 C ATOM 780 OD1 ASN A 50 -14.871 1.717 15.887 1.00 0.00 O ATOM 781 ND2 ASN A 50 -13.860 1.524 13.962 1.00 0.00 N ATOM 0 H ASN A 50 -14.249 -1.192 17.202 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.676 0.031 16.016 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.938 -1.059 15.223 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.137 -0.808 13.970 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.645 2.521 13.952 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.562 0.930 13.188 1.00 0.00 H new ATOM 788 N PRO A 51 -18.009 -1.950 15.561 1.00 0.00 N ATOM 789 CA PRO A 51 -18.857 -3.110 15.196 1.00 0.00 C ATOM 790 C PRO A 51 -18.619 -3.520 13.739 1.00 0.00 C ATOM 791 O PRO A 51 -19.192 -4.476 13.255 1.00 0.00 O ATOM 792 CB PRO A 51 -20.273 -2.562 15.383 1.00 0.00 C ATOM 793 CG PRO A 51 -20.181 -1.096 15.848 1.00 0.00 C ATOM 794 CD PRO A 51 -18.703 -0.685 15.897 1.00 0.00 C ATOM 0 HA PRO A 51 -18.655 -4.001 15.790 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.829 -2.627 14.448 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.814 -3.158 16.118 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.731 -0.448 15.165 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.637 -0.983 16.831 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.477 0.105 15.181 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.417 -0.314 16.881 1.00 0.00 H new ATOM 802 N ASN A 52 -17.785 -2.806 13.033 1.00 0.00 N ATOM 803 CA ASN A 52 -17.526 -3.160 11.608 1.00 0.00 C ATOM 804 C ASN A 52 -16.028 -3.377 11.369 1.00 0.00 C ATOM 805 O ASN A 52 -15.548 -3.278 10.257 1.00 0.00 O ATOM 806 CB ASN A 52 -18.031 -1.962 10.807 1.00 0.00 C ATOM 807 CG ASN A 52 -19.556 -1.890 10.909 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.194 -2.846 11.304 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.171 -0.792 10.567 1.00 0.00 N ATOM 0 H ASN A 52 -17.273 -1.995 13.380 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.023 -4.086 11.319 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.586 -1.042 11.187 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.729 -2.054 9.764 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.187 -0.736 10.631 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.636 0.010 10.235 1.00 0.00 H new ATOM 816 N PHE A 53 -15.289 -3.687 12.399 1.00 0.00 N ATOM 817 CA PHE A 53 -13.828 -3.927 12.219 1.00 0.00 C ATOM 818 C PHE A 53 -13.620 -5.344 11.682 1.00 0.00 C ATOM 819 O PHE A 53 -14.580 -6.041 11.425 1.00 0.00 O ATOM 820 CB PHE A 53 -13.216 -3.771 13.620 1.00 0.00 C ATOM 821 CG PHE A 53 -13.315 -5.076 14.385 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.565 -5.554 14.796 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.153 -5.804 14.688 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.656 -6.757 15.508 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.247 -7.009 15.399 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.497 -7.483 15.808 1.00 0.00 C ATOM 0 H PHE A 53 -15.632 -3.784 13.355 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.366 -3.238 11.512 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.172 -3.469 13.537 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.734 -2.982 14.165 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.460 -4.995 14.564 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.188 -5.436 14.374 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.621 -7.125 15.826 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.354 -7.571 15.631 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.569 -8.411 16.356 1.00 0.00 H new ATOM 836 N PRO A 54 -12.382 -5.738 11.539 1.00 0.00 N ATOM 837 CA PRO A 54 -12.084 -7.097 11.044 1.00 0.00 C ATOM 838 C PRO A 54 -12.762 -8.133 11.944 1.00 0.00 C ATOM 839 O PRO A 54 -12.128 -8.789 12.744 1.00 0.00 O ATOM 840 CB PRO A 54 -10.556 -7.161 11.137 1.00 0.00 C ATOM 841 CG PRO A 54 -10.036 -5.805 11.654 1.00 0.00 C ATOM 842 CD PRO A 54 -11.230 -4.865 11.862 1.00 0.00 C ATOM 0 HA PRO A 54 -12.445 -7.304 10.036 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.251 -7.964 11.809 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.127 -7.383 10.160 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.495 -5.940 12.590 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.335 -5.373 10.940 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.279 -4.490 12.884 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.182 -3.996 11.206 1.00 0.00 H new ATOM 850 N GLU A 55 -14.056 -8.267 11.824 1.00 0.00 N ATOM 851 CA GLU A 55 -14.792 -9.245 12.672 1.00 0.00 C ATOM 852 C GLU A 55 -13.998 -10.545 12.785 1.00 0.00 C ATOM 853 O GLU A 55 -13.969 -11.175 13.822 1.00 0.00 O ATOM 854 CB GLU A 55 -16.120 -9.475 11.954 1.00 0.00 C ATOM 855 CG GLU A 55 -17.009 -10.377 12.811 1.00 0.00 C ATOM 856 CD GLU A 55 -18.322 -10.653 12.075 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.464 -10.176 10.961 1.00 0.00 O ATOM 858 OE2 GLU A 55 -19.162 -11.334 12.638 1.00 0.00 O ATOM 0 H GLU A 55 -14.636 -7.738 11.172 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.944 -8.882 13.688 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.617 -8.522 11.771 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.946 -9.935 10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.495 -11.315 13.023 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.211 -9.900 13.770 1.00 0.00 H new ATOM 865 N GLU A 56 -13.340 -10.945 11.732 1.00 0.00 N ATOM 866 CA GLU A 56 -12.535 -12.198 11.800 1.00 0.00 C ATOM 867 C GLU A 56 -11.601 -12.125 13.012 1.00 0.00 C ATOM 868 O GLU A 56 -11.089 -13.121 13.483 1.00 0.00 O ATOM 869 CB GLU A 56 -11.737 -12.229 10.496 1.00 0.00 C ATOM 870 CG GLU A 56 -12.700 -12.345 9.311 1.00 0.00 C ATOM 871 CD GLU A 56 -11.901 -12.478 8.013 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.691 -12.339 8.069 1.00 0.00 O ATOM 873 OE2 GLU A 56 -12.514 -12.717 6.985 1.00 0.00 O ATOM 0 H GLU A 56 -13.324 -10.463 10.833 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.146 -13.094 11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.136 -11.324 10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.045 -13.072 10.500 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.350 -13.211 9.441 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.344 -11.467 9.265 1.00 0.00 H new ATOM 880 N LEU A 57 -11.394 -10.940 13.522 1.00 0.00 N ATOM 881 CA LEU A 57 -10.514 -10.765 14.711 1.00 0.00 C ATOM 882 C LEU A 57 -11.369 -10.768 15.978 1.00 0.00 C ATOM 883 O LEU A 57 -10.906 -10.489 17.071 1.00 0.00 O ATOM 884 CB LEU A 57 -9.850 -9.407 14.501 1.00 0.00 C ATOM 885 CG LEU A 57 -8.776 -9.551 13.427 1.00 0.00 C ATOM 886 CD1 LEU A 57 -9.412 -10.020 12.117 1.00 0.00 C ATOM 887 CD2 LEU A 57 -8.083 -8.205 13.208 1.00 0.00 C ATOM 0 H LEU A 57 -11.802 -10.078 13.161 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.776 -11.560 14.821 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.591 -8.667 14.199 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.408 -9.054 15.433 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.041 -10.287 13.753 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.640 -10.121 11.354 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.897 -10.984 12.273 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.152 -9.290 11.790 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.316 -8.311 12.440 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.817 -7.466 12.888 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.621 -7.878 14.139 1.00 0.00 H new ATOM 899 N LYS A 58 -12.620 -11.089 15.826 1.00 0.00 N ATOM 900 CA LYS A 58 -13.538 -11.130 16.998 1.00 0.00 C ATOM 901 C LYS A 58 -12.837 -11.776 18.194 1.00 0.00 C ATOM 902 O LYS A 58 -12.823 -11.215 19.273 1.00 0.00 O ATOM 903 CB LYS A 58 -14.728 -11.979 16.548 1.00 0.00 C ATOM 904 CG LYS A 58 -16.025 -11.208 16.803 1.00 0.00 C ATOM 905 CD LYS A 58 -17.223 -12.078 16.418 1.00 0.00 C ATOM 906 CE LYS A 58 -17.082 -13.454 17.072 1.00 0.00 C ATOM 907 NZ LYS A 58 -18.450 -13.782 17.568 1.00 0.00 N ATOM 0 H LYS A 58 -13.051 -11.327 14.933 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.849 -10.134 17.312 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.637 -12.220 15.489 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.741 -12.924 17.091 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.091 -10.925 17.853 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.031 -10.285 16.223 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.150 -11.603 16.740 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.278 -12.182 15.334 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.732 -14.198 16.357 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.360 -13.432 17.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.437 -14.713 18.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.754 -13.060 18.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.114 -13.802 16.768 1.00 0.00 H new ATOM 921 N PRO A 59 -12.265 -12.934 17.973 1.00 0.00 N ATOM 922 CA PRO A 59 -11.553 -13.635 19.059 1.00 0.00 C ATOM 923 C PRO A 59 -10.508 -12.712 19.683 1.00 0.00 C ATOM 924 O PRO A 59 -10.349 -12.671 20.887 1.00 0.00 O ATOM 925 CB PRO A 59 -10.911 -14.821 18.334 1.00 0.00 C ATOM 926 CG PRO A 59 -11.300 -14.753 16.843 1.00 0.00 C ATOM 927 CD PRO A 59 -12.289 -13.596 16.646 1.00 0.00 C ATOM 0 HA PRO A 59 -12.193 -13.949 19.884 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.827 -14.790 18.444 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.250 -15.760 18.771 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.413 -14.601 16.227 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.751 -15.694 16.527 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.974 -12.922 15.849 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.286 -13.952 16.387 1.00 0.00 H new ATOM 935 N LEU A 60 -9.794 -11.961 18.884 1.00 0.00 N ATOM 936 CA LEU A 60 -8.775 -11.046 19.465 1.00 0.00 C ATOM 937 C LEU A 60 -9.447 -10.107 20.463 1.00 0.00 C ATOM 938 O LEU A 60 -8.935 -9.855 21.536 1.00 0.00 O ATOM 939 CB LEU A 60 -8.216 -10.257 18.281 1.00 0.00 C ATOM 940 CG LEU A 60 -7.194 -11.113 17.531 1.00 0.00 C ATOM 941 CD1 LEU A 60 -7.915 -12.252 16.807 1.00 0.00 C ATOM 942 CD2 LEU A 60 -6.459 -10.244 16.510 1.00 0.00 C ATOM 0 H LEU A 60 -9.873 -11.943 17.867 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.987 -11.581 19.995 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.025 -9.967 17.610 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.748 -9.338 18.632 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.478 -11.530 18.239 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.187 -12.862 16.273 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.442 -12.870 17.534 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.631 -11.837 16.098 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.730 -10.851 15.974 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.176 -9.829 15.802 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.946 -9.432 17.025 1.00 0.00 H new ATOM 954 N CYS A 61 -10.599 -9.594 20.127 1.00 0.00 N ATOM 955 CA CYS A 61 -11.301 -8.679 21.070 1.00 0.00 C ATOM 956 C CYS A 61 -11.620 -9.414 22.376 1.00 0.00 C ATOM 957 O CYS A 61 -11.778 -8.808 23.417 1.00 0.00 O ATOM 958 CB CYS A 61 -12.592 -8.280 20.352 1.00 0.00 C ATOM 959 SG CYS A 61 -12.187 -7.372 18.840 1.00 0.00 S ATOM 0 H CYS A 61 -11.082 -9.768 19.246 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.696 -7.811 21.330 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -13.175 -9.168 20.110 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.208 -7.662 21.006 1.00 0.00 H new ATOM 964 N LYS A 62 -11.720 -10.714 22.326 1.00 0.00 N ATOM 965 CA LYS A 62 -12.036 -11.485 23.564 1.00 0.00 C ATOM 966 C LYS A 62 -10.763 -12.080 24.173 1.00 0.00 C ATOM 967 O LYS A 62 -10.811 -12.768 25.173 1.00 0.00 O ATOM 968 CB LYS A 62 -12.979 -12.597 23.104 1.00 0.00 C ATOM 969 CG LYS A 62 -14.289 -11.983 22.609 1.00 0.00 C ATOM 970 CD LYS A 62 -15.274 -13.099 22.250 1.00 0.00 C ATOM 971 CE LYS A 62 -16.551 -12.484 21.675 1.00 0.00 C ATOM 972 NZ LYS A 62 -16.791 -13.223 20.402 1.00 0.00 N ATOM 0 H LYS A 62 -11.597 -11.276 21.484 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.483 -10.856 24.333 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.513 -13.177 22.307 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.175 -13.285 23.926 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.716 -11.341 23.380 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.102 -11.355 21.738 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.824 -13.776 21.524 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.509 -13.691 23.135 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.389 -12.598 22.362 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.429 -11.416 21.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.485 -12.706 19.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.898 -13.307 19.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.157 -14.173 20.616 1.00 0.00 H new ATOM 986 N GLU A 63 -9.626 -11.824 23.585 1.00 0.00 N ATOM 987 CA GLU A 63 -8.362 -12.384 24.146 1.00 0.00 C ATOM 988 C GLU A 63 -7.423 -11.250 24.577 1.00 0.00 C ATOM 989 O GLU A 63 -7.412 -10.192 23.979 1.00 0.00 O ATOM 990 CB GLU A 63 -7.747 -13.202 23.008 1.00 0.00 C ATOM 991 CG GLU A 63 -6.971 -12.278 22.069 1.00 0.00 C ATOM 992 CD GLU A 63 -6.489 -13.077 20.855 1.00 0.00 C ATOM 993 OE1 GLU A 63 -7.237 -13.921 20.392 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.381 -12.830 20.410 1.00 0.00 O ATOM 0 H GLU A 63 -9.517 -11.255 22.746 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.538 -12.996 25.031 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.083 -13.965 23.414 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.530 -13.722 22.457 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.606 -11.452 21.747 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.120 -11.841 22.592 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.667 -11.509 25.613 1.00 0.00 N ATOM 1002 CA PRO A 64 -5.715 -10.504 26.148 1.00 0.00 C ATOM 1003 C PRO A 64 -4.622 -10.174 25.125 1.00 0.00 C ATOM 1004 O PRO A 64 -3.928 -9.183 25.247 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.123 -11.220 27.365 1.00 0.00 C ATOM 1006 CG PRO A 64 -5.759 -12.619 27.477 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.727 -12.818 26.304 1.00 0.00 C ATOM 0 HA PRO A 64 -6.185 -9.550 26.387 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.041 -11.304 27.264 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.314 -10.645 28.271 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.986 -13.387 27.463 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.289 -12.718 28.424 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.414 -13.635 25.654 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.736 -13.051 26.645 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.446 -11.001 24.133 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.377 -10.734 23.126 1.00 0.00 C ATOM 1017 C ASN A 65 -3.831 -9.678 22.116 1.00 0.00 C ATOM 1018 O ASN A 65 -3.024 -9.043 21.468 1.00 0.00 O ATOM 1019 CB ASN A 65 -3.147 -12.074 22.428 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.742 -13.124 23.463 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.412 -12.793 24.585 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -2.751 -14.387 23.134 1.00 0.00 N ATOM 0 H ASN A 65 -4.993 -11.847 23.975 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.469 -10.349 23.591 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.054 -12.388 21.912 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.368 -11.974 21.672 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.481 -15.094 23.818 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.028 -14.667 22.193 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.112 -9.473 21.978 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.590 -8.445 21.012 1.00 0.00 C ATOM 1031 C ALA A 66 -4.783 -7.157 21.189 1.00 0.00 C ATOM 1032 O ALA A 66 -4.464 -6.474 20.236 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.054 -8.207 21.374 1.00 0.00 C ATOM 0 H ALA A 66 -5.843 -9.969 22.488 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.476 -8.763 19.976 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.478 -7.459 20.704 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.610 -9.139 21.275 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.121 -7.852 22.403 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.452 -6.822 22.407 1.00 0.00 N ATOM 1040 CA GLN A 67 -3.667 -5.580 22.655 1.00 0.00 C ATOM 1041 C GLN A 67 -2.311 -5.663 21.951 1.00 0.00 C ATOM 1042 O GLN A 67 -1.844 -4.705 21.366 1.00 0.00 O ATOM 1043 CB GLN A 67 -3.479 -5.526 24.171 1.00 0.00 C ATOM 1044 CG GLN A 67 -4.829 -5.274 24.843 1.00 0.00 C ATOM 1045 CD GLN A 67 -4.636 -5.191 26.359 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -3.579 -5.505 26.868 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -5.623 -4.777 27.108 1.00 0.00 N ATOM 0 H GLN A 67 -4.692 -7.356 23.242 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.170 -4.691 22.274 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.052 -6.463 24.529 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.777 -4.735 24.433 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.266 -4.348 24.470 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.525 -6.076 24.598 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.511 -4.513 26.681 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.506 -4.718 28.119 1.00 0.00 H new ATOM 1056 N GLU A 68 -1.676 -6.802 21.998 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.354 -6.944 21.327 1.00 0.00 C ATOM 1058 C GLU A 68 -0.552 -7.170 19.826 1.00 0.00 C ATOM 1059 O GLU A 68 0.232 -6.722 19.013 1.00 0.00 O ATOM 1060 CB GLU A 68 0.291 -8.166 21.981 1.00 0.00 C ATOM 1061 CG GLU A 68 0.550 -7.871 23.461 1.00 0.00 C ATOM 1062 CD GLU A 68 1.234 -9.076 24.111 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.313 -10.107 23.464 1.00 0.00 O ATOM 1064 OE2 GLU A 68 1.666 -8.946 25.245 1.00 0.00 O ATOM 0 H GLU A 68 -2.015 -7.639 22.472 1.00 0.00 H new ATOM 0 HA GLU A 68 0.267 -6.055 21.434 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.361 -9.033 21.880 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.227 -8.411 21.478 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.178 -6.985 23.562 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.390 -7.655 23.969 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.599 -7.856 19.452 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.846 -8.099 18.002 1.00 0.00 C ATOM 1073 C ILE A 69 -2.319 -6.809 17.334 1.00 0.00 C ATOM 1074 O ILE A 69 -1.803 -6.401 16.311 1.00 0.00 O ATOM 1075 CB ILE A 69 -2.946 -9.159 17.952 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.470 -10.431 18.655 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.274 -9.476 16.491 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.653 -11.384 18.839 1.00 0.00 C ATOM 0 H ILE A 69 -2.291 -8.257 20.085 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.947 -8.426 17.479 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.836 -8.783 18.456 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.688 -10.913 18.068 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.035 -10.183 19.623 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.058 -10.232 16.450 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.616 -8.570 15.990 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.381 -9.852 15.991 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.315 -12.291 19.340 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.420 -10.900 19.444 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.068 -11.641 17.864 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.299 -6.162 17.905 1.00 0.00 N ATOM 1091 CA LEU A 70 -3.806 -4.895 17.305 1.00 0.00 C ATOM 1092 C LEU A 70 -2.634 -3.969 16.975 1.00 0.00 C ATOM 1093 O LEU A 70 -2.460 -3.554 15.847 1.00 0.00 O ATOM 1094 CB LEU A 70 -4.698 -4.275 18.384 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.111 -2.859 17.967 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -3.951 -1.892 18.213 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.481 -2.845 16.483 1.00 0.00 C ATOM 0 H LEU A 70 -3.770 -6.456 18.761 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.352 -5.062 16.376 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.584 -4.892 18.535 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.166 -4.243 19.335 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.973 -2.549 18.557 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.247 -0.886 17.916 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.692 -1.896 19.272 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.087 -2.204 17.627 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.774 -1.837 16.191 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.622 -3.159 15.891 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.311 -3.529 16.309 1.00 0.00 H new ATOM 1109 N GLN A 71 -1.827 -3.648 17.947 1.00 0.00 N ATOM 1110 CA GLN A 71 -0.665 -2.752 17.681 1.00 0.00 C ATOM 1111 C GLN A 71 0.082 -3.220 16.431 1.00 0.00 C ATOM 1112 O GLN A 71 0.337 -2.451 15.524 1.00 0.00 O ATOM 1113 CB GLN A 71 0.223 -2.878 18.920 1.00 0.00 C ATOM 1114 CG GLN A 71 -0.527 -2.345 20.144 1.00 0.00 C ATOM 1115 CD GLN A 71 0.333 -2.545 21.395 1.00 0.00 C ATOM 1116 OE1 GLN A 71 1.277 -3.308 21.382 1.00 0.00 O ATOM 1117 NE2 GLN A 71 0.043 -1.885 22.483 1.00 0.00 N ATOM 0 H GLN A 71 -1.920 -3.966 18.912 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.967 -1.720 17.502 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.501 -3.920 19.076 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.148 -2.320 18.776 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.756 -1.287 20.012 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.478 -2.865 20.256 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.750 -1.244 22.494 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.610 -2.010 23.322 1.00 0.00 H new ATOM 1126 N ARG A 72 0.434 -4.476 16.374 1.00 0.00 N ATOM 1127 CA ARG A 72 1.164 -4.993 15.180 1.00 0.00 C ATOM 1128 C ARG A 72 0.336 -4.760 13.913 1.00 0.00 C ATOM 1129 O ARG A 72 0.752 -4.066 13.008 1.00 0.00 O ATOM 1130 CB ARG A 72 1.338 -6.490 15.440 1.00 0.00 C ATOM 1131 CG ARG A 72 2.223 -6.695 16.671 1.00 0.00 C ATOM 1132 CD ARG A 72 2.512 -8.187 16.852 1.00 0.00 C ATOM 1133 NE ARG A 72 3.172 -8.291 18.185 1.00 0.00 N ATOM 1134 CZ ARG A 72 4.474 -8.295 18.271 1.00 0.00 C ATOM 1135 NH1 ARG A 72 5.194 -7.799 17.302 1.00 0.00 N ATOM 1136 NH2 ARG A 72 5.058 -8.795 19.326 1.00 0.00 N ATOM 0 H ARG A 72 0.248 -5.166 17.102 1.00 0.00 H new ATOM 0 HA ARG A 72 2.120 -4.492 15.031 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.366 -6.958 15.596 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.788 -6.971 14.571 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.157 -6.145 16.556 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.727 -6.300 17.558 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.594 -8.774 16.819 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.160 -8.563 16.060 1.00 0.00 H new ATOM 0 HE ARG A 72 2.605 -8.359 19.030 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.739 -7.408 16.477 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.212 -7.802 17.370 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.496 -9.183 20.084 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.076 -8.798 19.392 1.00 0.00 H new ATOM 1150 N LEU A 73 -0.836 -5.333 13.843 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.685 -5.136 12.633 1.00 0.00 C ATOM 1152 C LEU A 73 -1.712 -3.657 12.248 1.00 0.00 C ATOM 1153 O LEU A 73 -1.406 -3.291 11.132 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.081 -5.608 13.040 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.041 -7.097 13.404 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.440 -7.692 13.241 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.066 -7.832 12.480 1.00 0.00 C ATOM 0 H LEU A 73 -1.240 -5.926 14.568 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.308 -5.686 11.771 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.438 -5.026 13.890 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.783 -5.443 12.223 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.709 -7.208 14.436 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.417 -8.751 13.499 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.135 -7.173 13.901 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.766 -7.577 12.207 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.042 -8.889 12.744 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.393 -7.723 11.446 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.068 -7.407 12.592 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.072 -2.802 13.166 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.110 -1.348 12.848 1.00 0.00 C ATOM 1171 C GLU A 74 -0.783 -0.920 12.216 1.00 0.00 C ATOM 1172 O GLU A 74 -0.754 -0.175 11.256 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.311 -0.650 14.193 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.642 -1.091 14.803 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.790 -0.652 13.892 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -4.558 0.198 13.047 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.881 -1.174 14.054 1.00 0.00 O ATOM 0 H GLU A 74 -2.340 -3.047 14.119 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.901 -1.098 12.141 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.491 -0.895 14.868 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.301 0.432 14.058 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.656 -2.174 14.928 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.763 -0.654 15.794 1.00 0.00 H new ATOM 1184 N GLU A 75 0.316 -1.385 12.746 1.00 0.00 N ATOM 1185 CA GLU A 75 1.641 -1.003 12.176 1.00 0.00 C ATOM 1186 C GLU A 75 1.800 -1.592 10.773 1.00 0.00 C ATOM 1187 O GLU A 75 2.117 -0.894 9.830 1.00 0.00 O ATOM 1188 CB GLU A 75 2.666 -1.611 13.132 1.00 0.00 C ATOM 1189 CG GLU A 75 4.062 -1.088 12.788 1.00 0.00 C ATOM 1190 CD GLU A 75 5.096 -1.769 13.686 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.697 -2.581 14.505 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.270 -1.468 13.539 1.00 0.00 O ATOM 0 H GLU A 75 0.354 -2.013 13.549 1.00 0.00 H new ATOM 0 HA GLU A 75 1.759 0.077 12.082 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.414 -1.356 14.161 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.646 -2.698 13.059 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.288 -1.285 11.740 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.101 -0.007 12.925 1.00 0.00 H new ATOM 1199 N ILE A 76 1.578 -2.869 10.624 1.00 0.00 N ATOM 1200 CA ILE A 76 1.711 -3.493 9.278 1.00 0.00 C ATOM 1201 C ILE A 76 0.645 -2.924 8.341 1.00 0.00 C ATOM 1202 O ILE A 76 0.893 -2.672 7.180 1.00 0.00 O ATOM 1203 CB ILE A 76 1.489 -4.987 9.507 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.535 -5.508 10.496 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.626 -5.734 8.180 1.00 0.00 C ATOM 1206 CD1 ILE A 76 2.291 -6.995 10.760 1.00 0.00 C ATOM 0 H ILE A 76 1.311 -3.506 11.375 1.00 0.00 H new ATOM 0 HA ILE A 76 2.681 -3.298 8.819 1.00 0.00 H new ATOM 0 HB ILE A 76 0.490 -5.149 9.912 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.537 -5.359 10.094 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.479 -4.948 11.429 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.467 -6.800 8.344 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.884 -5.361 7.474 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.625 -5.574 7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.036 -7.366 11.464 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.294 -7.131 11.180 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.369 -7.548 9.824 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.539 -2.709 8.843 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.616 -2.144 7.985 1.00 0.00 C ATOM 1220 C ALA A 77 -1.160 -0.803 7.408 1.00 0.00 C ATOM 1221 O ALA A 77 -1.473 -0.457 6.287 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.809 -1.948 8.922 1.00 0.00 C ATOM 0 H ALA A 77 -0.807 -2.900 9.809 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.866 -2.791 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.647 -1.533 8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.098 -2.908 9.349 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.533 -1.263 9.724 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.420 -0.049 8.173 1.00 0.00 N ATOM 1229 CA GLU A 78 0.065 1.272 7.681 1.00 0.00 C ATOM 1230 C GLU A 78 0.987 1.087 6.471 1.00 0.00 C ATOM 1231 O GLU A 78 0.960 1.863 5.536 1.00 0.00 O ATOM 1232 CB GLU A 78 0.837 1.869 8.859 1.00 0.00 C ATOM 1233 CG GLU A 78 1.268 3.297 8.521 1.00 0.00 C ATOM 1234 CD GLU A 78 2.149 3.841 9.648 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.401 3.102 10.586 1.00 0.00 O ATOM 1236 OE2 GLU A 78 2.557 4.987 9.555 1.00 0.00 O ATOM 0 H GLU A 78 -0.129 -0.291 9.120 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.752 1.917 7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.213 1.869 9.753 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.712 1.257 9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.815 3.310 7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.392 3.932 8.390 1.00 0.00 H new ATOM 1243 N ASP A 79 1.807 0.068 6.480 1.00 0.00 N ATOM 1244 CA ASP A 79 2.730 -0.155 5.328 1.00 0.00 C ATOM 1245 C ASP A 79 3.013 -1.650 5.151 1.00 0.00 C ATOM 1246 O ASP A 79 2.877 -2.422 6.078 1.00 0.00 O ATOM 1247 CB ASP A 79 4.010 0.595 5.696 1.00 0.00 C ATOM 1248 CG ASP A 79 4.155 1.826 4.799 1.00 0.00 C ATOM 1249 OD1 ASP A 79 4.759 1.699 3.746 1.00 0.00 O ATOM 1250 OD2 ASP A 79 3.661 2.874 5.179 1.00 0.00 O ATOM 0 H ASP A 79 1.877 -0.617 7.233 1.00 0.00 H new ATOM 0 HA ASP A 79 2.306 0.197 4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.980 0.896 6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.874 -0.059 5.577 1.00 0.00 H new ATOM 1255 N PRO A 80 3.400 -2.006 3.955 1.00 0.00 N ATOM 1256 CA PRO A 80 3.707 -3.419 3.631 1.00 0.00 C ATOM 1257 C PRO A 80 4.833 -3.949 4.521 1.00 0.00 C ATOM 1258 O PRO A 80 4.614 -4.763 5.397 1.00 0.00 O ATOM 1259 CB PRO A 80 4.153 -3.337 2.168 1.00 0.00 C ATOM 1260 CG PRO A 80 4.081 -1.868 1.709 1.00 0.00 C ATOM 1261 CD PRO A 80 3.553 -1.013 2.868 1.00 0.00 C ATOM 0 HA PRO A 80 2.867 -4.096 3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.169 -3.716 2.061 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.513 -3.960 1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.067 -1.520 1.402 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.426 -1.775 0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.251 -0.220 3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.606 -0.534 2.620 1.00 0.00 H new ATOM 1269 N GLY A 81 6.037 -3.502 4.303 1.00 0.00 N ATOM 1270 CA GLY A 81 7.173 -3.992 5.134 1.00 0.00 C ATOM 1271 C GLY A 81 7.630 -5.355 4.610 1.00 0.00 C ATOM 1272 O GLY A 81 7.679 -5.588 3.419 1.00 0.00 O ATOM 0 H GLY A 81 6.285 -2.819 3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.998 -3.281 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.867 -4.074 6.177 1.00 0.00 H new ATOM 1276 N THR A 82 7.961 -6.260 5.490 1.00 0.00 N ATOM 1277 CA THR A 82 8.411 -7.610 5.040 1.00 0.00 C ATOM 1278 C THR A 82 7.203 -8.464 4.644 1.00 0.00 C ATOM 1279 O THR A 82 7.315 -9.405 3.883 1.00 0.00 O ATOM 1280 CB THR A 82 9.120 -8.216 6.252 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.177 -8.421 7.296 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.219 -7.267 6.734 1.00 0.00 C ATOM 0 H THR A 82 7.940 -6.124 6.501 1.00 0.00 H new ATOM 0 HA THR A 82 9.064 -7.559 4.169 1.00 0.00 H new ATOM 0 HB THR A 82 9.567 -9.170 5.971 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.585 -8.186 8.156 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.722 -7.702 7.598 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.942 -7.111 5.933 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.777 -6.311 7.015 1.00 0.00 H new ATOM 1290 N CYS A 83 6.049 -8.143 5.156 1.00 0.00 N ATOM 1291 CA CYS A 83 4.839 -8.939 4.807 1.00 0.00 C ATOM 1292 C CYS A 83 4.677 -9.001 3.285 1.00 0.00 C ATOM 1293 O CYS A 83 4.529 -10.059 2.707 1.00 0.00 O ATOM 1294 CB CYS A 83 3.668 -8.192 5.448 1.00 0.00 C ATOM 1295 SG CYS A 83 2.177 -9.215 5.364 1.00 0.00 S ATOM 0 H CYS A 83 5.890 -7.367 5.799 1.00 0.00 H new ATOM 0 HA CYS A 83 4.901 -9.967 5.163 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.900 -7.954 6.486 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.502 -7.246 4.933 1.00 0.00 H new ATOM 1300 N GLU A 84 4.700 -7.871 2.634 1.00 0.00 N ATOM 1301 CA GLU A 84 4.541 -7.856 1.151 1.00 0.00 C ATOM 1302 C GLU A 84 5.582 -8.755 0.475 1.00 0.00 C ATOM 1303 O GLU A 84 5.320 -9.356 -0.549 1.00 0.00 O ATOM 1304 CB GLU A 84 4.758 -6.398 0.748 1.00 0.00 C ATOM 1305 CG GLU A 84 4.500 -6.240 -0.752 1.00 0.00 C ATOM 1306 CD GLU A 84 4.840 -4.811 -1.181 1.00 0.00 C ATOM 1307 OE1 GLU A 84 5.285 -4.051 -0.337 1.00 0.00 O ATOM 1308 OE2 GLU A 84 4.650 -4.503 -2.346 1.00 0.00 O ATOM 0 H GLU A 84 4.822 -6.955 3.065 1.00 0.00 H new ATOM 0 HA GLU A 84 3.564 -8.232 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.089 -5.750 1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.776 -6.091 0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.105 -6.953 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.457 -6.460 -0.977 1.00 0.00 H new ATOM 1315 N ILE A 85 6.762 -8.850 1.027 1.00 0.00 N ATOM 1316 CA ILE A 85 7.807 -9.708 0.394 1.00 0.00 C ATOM 1317 C ILE A 85 7.905 -11.056 1.116 1.00 0.00 C ATOM 1318 O ILE A 85 8.815 -11.828 0.888 1.00 0.00 O ATOM 1319 CB ILE A 85 9.110 -8.916 0.530 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.565 -8.913 1.992 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.880 -7.477 0.064 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.642 -7.845 2.192 1.00 0.00 C ATOM 0 H ILE A 85 7.047 -8.374 1.883 1.00 0.00 H new ATOM 0 HA ILE A 85 7.579 -9.933 -0.648 1.00 0.00 H new ATOM 0 HB ILE A 85 9.881 -9.381 -0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.717 -8.715 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.956 -9.894 2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.807 -6.911 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.562 -7.479 -0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.107 -7.015 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.965 -7.844 3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.494 -8.063 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.235 -6.866 1.937 1.00 0.00 H new ATOM 1334 N CYS A 86 6.971 -11.345 1.980 1.00 0.00 N ATOM 1335 CA CYS A 86 7.003 -12.646 2.711 1.00 0.00 C ATOM 1336 C CYS A 86 8.285 -12.768 3.538 1.00 0.00 C ATOM 1337 O CYS A 86 8.584 -13.813 4.081 1.00 0.00 O ATOM 1338 CB CYS A 86 6.968 -13.715 1.618 1.00 0.00 C ATOM 1339 SG CYS A 86 5.563 -14.820 1.901 1.00 0.00 S ATOM 0 H CYS A 86 6.186 -10.737 2.212 1.00 0.00 H new ATOM 0 HA CYS A 86 6.171 -12.743 3.408 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.884 -13.246 0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.898 -14.284 1.620 1.00 0.00 H new ATOM 1344 N ALA A 87 9.044 -11.712 3.646 1.00 0.00 N ATOM 1345 CA ALA A 87 10.300 -11.782 4.445 1.00 0.00 C ATOM 1346 C ALA A 87 9.965 -12.136 5.895 1.00 0.00 C ATOM 1347 O ALA A 87 10.824 -12.502 6.673 1.00 0.00 O ATOM 1348 CB ALA A 87 10.906 -10.382 4.360 1.00 0.00 C ATOM 0 H ALA A 87 8.850 -10.807 3.217 1.00 0.00 H new ATOM 0 HA ALA A 87 10.990 -12.541 4.076 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.837 -10.354 4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.107 -10.135 3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.206 -9.657 4.776 1.00 0.00 H new ATOM 1354 N TYR A 88 8.719 -12.026 6.260 1.00 0.00 N ATOM 1355 CA TYR A 88 8.315 -12.351 7.656 1.00 0.00 C ATOM 1356 C TYR A 88 7.034 -13.188 7.652 1.00 0.00 C ATOM 1357 O TYR A 88 6.337 -13.271 6.660 1.00 0.00 O ATOM 1358 CB TYR A 88 8.067 -10.995 8.314 1.00 0.00 C ATOM 1359 CG TYR A 88 7.959 -11.171 9.809 1.00 0.00 C ATOM 1360 CD1 TYR A 88 9.098 -11.477 10.563 1.00 0.00 C ATOM 1361 CD2 TYR A 88 6.719 -11.025 10.441 1.00 0.00 C ATOM 1362 CE1 TYR A 88 8.997 -11.637 11.950 1.00 0.00 C ATOM 1363 CE2 TYR A 88 6.618 -11.185 11.828 1.00 0.00 C ATOM 1364 CZ TYR A 88 7.756 -11.490 12.582 1.00 0.00 C ATOM 1365 OH TYR A 88 7.656 -11.647 13.950 1.00 0.00 O ATOM 0 H TYR A 88 7.960 -11.724 5.649 1.00 0.00 H new ATOM 0 HA TYR A 88 9.071 -12.931 8.185 1.00 0.00 H new ATOM 0 HB2 TYR A 88 8.880 -10.310 8.076 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.152 -10.551 7.923 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.055 -11.590 10.075 1.00 0.00 H new ATOM 0 HD2 TYR A 88 5.840 -10.789 9.859 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.875 -11.874 12.532 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.661 -11.073 12.316 1.00 0.00 H new ATOM 0 HH TYR A 88 6.726 -11.511 14.228 1.00 0.00 H new ATOM 1375 N ALA A 89 6.721 -13.810 8.754 1.00 0.00 N ATOM 1376 CA ALA A 89 5.485 -14.643 8.816 1.00 0.00 C ATOM 1377 C ALA A 89 4.242 -13.746 8.843 1.00 0.00 C ATOM 1378 O ALA A 89 3.128 -14.216 8.960 1.00 0.00 O ATOM 1379 CB ALA A 89 5.606 -15.433 10.119 1.00 0.00 C ATOM 0 H ALA A 89 7.267 -13.778 9.615 1.00 0.00 H new ATOM 0 HA ALA A 89 5.384 -15.298 7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.732 -16.073 10.239 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.505 -16.049 10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.668 -14.742 10.959 1.00 0.00 H new ATOM 1385 N ALA A 90 4.428 -12.458 8.741 1.00 0.00 N ATOM 1386 CA ALA A 90 3.261 -11.529 8.764 1.00 0.00 C ATOM 1387 C ALA A 90 2.366 -11.762 7.543 1.00 0.00 C ATOM 1388 O ALA A 90 1.156 -11.782 7.646 1.00 0.00 O ATOM 1389 CB ALA A 90 3.873 -10.130 8.718 1.00 0.00 C ATOM 0 H ALA A 90 5.338 -12.008 8.643 1.00 0.00 H new ATOM 0 HA ALA A 90 2.636 -11.676 9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.078 -9.384 8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.519 -9.987 9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.459 -10.019 7.806 1.00 0.00 H new ATOM 1395 N CYS A 91 2.949 -11.930 6.387 1.00 0.00 N ATOM 1396 CA CYS A 91 2.125 -12.150 5.162 1.00 0.00 C ATOM 1397 C CYS A 91 2.012 -13.643 4.849 1.00 0.00 C ATOM 1398 O CYS A 91 2.989 -14.301 4.551 1.00 0.00 O ATOM 1399 CB CYS A 91 2.874 -11.430 4.044 1.00 0.00 C ATOM 1400 SG CYS A 91 1.886 -10.030 3.462 1.00 0.00 S ATOM 0 H CYS A 91 3.958 -11.925 6.237 1.00 0.00 H new ATOM 0 HA CYS A 91 1.109 -11.776 5.284 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.841 -11.081 4.405 1.00 0.00 H new ATOM 0 HB3 CYS A 91 3.070 -12.118 3.221 1.00 0.00 H new ATOM 1405 N THR A 92 0.825 -14.182 4.907 1.00 0.00 N ATOM 1406 CA THR A 92 0.649 -15.631 4.606 1.00 0.00 C ATOM 1407 C THR A 92 -0.047 -15.808 3.254 1.00 0.00 C ATOM 1408 O THR A 92 -0.516 -14.859 2.657 1.00 0.00 O ATOM 1409 CB THR A 92 -0.231 -16.168 5.733 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.525 -15.589 5.639 1.00 0.00 O ATOM 1411 CG2 THR A 92 0.395 -15.815 7.082 1.00 0.00 C ATOM 0 H THR A 92 -0.030 -13.682 5.150 1.00 0.00 H new ATOM 0 HA THR A 92 1.601 -16.158 4.547 1.00 0.00 H new ATOM 0 HB THR A 92 -0.313 -17.252 5.647 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.198 -16.299 5.585 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.233 -16.198 7.886 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.386 -16.263 7.151 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.479 -14.732 7.172 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.117 -17.016 2.766 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.780 -17.253 1.454 1.00 0.00 C ATOM 1421 C GLY A 93 0.284 -17.395 0.364 1.00 0.00 C ATOM 1422 O GLY A 93 0.099 -18.093 -0.612 1.00 0.00 O ATOM 0 H GLY A 93 0.257 -17.849 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.391 -18.155 1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.450 -16.426 1.218 1.00 0.00 H new ATOM 1426 N CYS A 94 1.401 -16.738 0.524 1.00 0.00 N ATOM 1427 CA CYS A 94 2.477 -16.837 -0.503 1.00 0.00 C ATOM 1428 C CYS A 94 3.456 -17.956 -0.136 1.00 0.00 C ATOM 1429 O CYS A 94 2.994 -19.021 0.240 1.00 0.00 O ATOM 1430 CB CYS A 94 3.179 -15.480 -0.475 1.00 0.00 C ATOM 1431 SG CYS A 94 3.816 -15.162 1.189 1.00 0.00 S ATOM 1432 OXT CYS A 94 4.650 -17.729 -0.240 1.00 0.00 O ATOM 0 H CYS A 94 1.615 -16.138 1.321 1.00 0.00 H new ATOM 0 HA CYS A 94 2.083 -17.071 -1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.996 -15.466 -1.197 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.483 -14.693 -0.766 1.00 0.00 H new TER 1437 CYS A 94