USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 651 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 95 THR OG1 : rot 37:sc= 0.336 USER MOD Set 1.2: A 98 ASN : amide:sc= 0 K(o=0.34,f=-0.61) USER MOD Set 2.1: A 32 ASN : amide:sc= -0.0784 X(o=-0.092,f=-0.067) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.0139 K(o=-0.092,f=-1.1) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -61:sc= 0.174 USER MOD Single : A 27 ASN : amide:sc= -0.305 K(o=-0.3,f=-1.4) USER MOD Single : A 34 GLN : amide:sc= -1.13 K(o=-1.1,f=-10!) USER MOD Single : A 37 SER OG : rot -102:sc= 0.48 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -172:sc= 0.839 USER MOD Single : A 68 GLN :FLIP amide:sc=-0.000395 F(o=-1.6,f=-0.00039) USER MOD Single : A 82 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.018) USER MOD Single : A 84 GLN : amide:sc= -1.16 K(o=-1.2,f=-6.5!) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.031 F(o=-0.6,f=-0.031) USER MOD Single : A 87 LYS NZ :NH3+ -117:sc= 0.81 (180deg=-0.165) USER MOD Single : A 90 GLN : amide:sc= 0.234 X(o=0.23,f=-0.1) USER MOD Single : A 91 LYS NZ :NH3+ 148:sc= 0.556 (180deg=0.138) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -30:sc= 0.232 USER MOD Single : A 106 GLN : amide:sc= -0.139 K(o=-0.14,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 11.975 -16.905 1.361 1.00 0.00 N ATOM 2 CA MET A 21 12.207 -16.441 -0.034 1.00 0.00 C ATOM 3 C MET A 21 10.865 -16.119 -0.720 1.00 0.00 C ATOM 4 O MET A 21 9.854 -16.775 -0.443 1.00 0.00 O ATOM 5 CB MET A 21 12.987 -17.531 -0.837 1.00 0.00 C ATOM 6 CG MET A 21 13.202 -17.217 -2.325 1.00 0.00 C ATOM 7 SD MET A 21 14.127 -18.506 -3.186 1.00 0.00 S ATOM 8 CE MET A 21 14.029 -17.956 -4.892 1.00 0.00 C ATOM 0 HA MET A 21 12.807 -15.531 -0.009 1.00 0.00 H new ATOM 0 HB2 MET A 21 13.960 -17.678 -0.369 1.00 0.00 H new ATOM 0 HB3 MET A 21 12.448 -18.475 -0.755 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.233 -17.087 -2.808 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.734 -16.270 -2.419 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.559 -18.661 -5.533 1.00 0.00 H new ATOM 0 HE2 MET A 21 12.984 -17.903 -5.198 1.00 0.00 H new ATOM 0 HE3 MET A 21 14.484 -16.970 -4.983 1.00 0.00 H new ATOM 18 N ALA A 22 10.861 -15.098 -1.610 1.00 0.00 N ATOM 19 CA ALA A 22 9.708 -14.789 -2.470 1.00 0.00 C ATOM 20 C ALA A 22 9.445 -15.977 -3.416 1.00 0.00 C ATOM 21 O ALA A 22 10.159 -16.164 -4.404 1.00 0.00 O ATOM 22 CB ALA A 22 9.971 -13.499 -3.267 1.00 0.00 C ATOM 0 H ALA A 22 11.655 -14.472 -1.747 1.00 0.00 H new ATOM 0 HA ALA A 22 8.824 -14.628 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.111 -13.281 -3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.133 -12.671 -2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.856 -13.630 -3.890 1.00 0.00 H new ATOM 28 N SER A 23 8.438 -16.791 -3.066 1.00 0.00 N ATOM 29 CA SER A 23 8.105 -18.035 -3.776 1.00 0.00 C ATOM 30 C SER A 23 6.647 -18.416 -3.474 1.00 0.00 C ATOM 31 O SER A 23 6.112 -18.058 -2.416 1.00 0.00 O ATOM 32 CB SER A 23 9.076 -19.172 -3.371 1.00 0.00 C ATOM 33 OG SER A 23 9.038 -19.402 -1.975 1.00 0.00 O ATOM 0 H SER A 23 7.825 -16.602 -2.273 1.00 0.00 H new ATOM 0 HA SER A 23 8.214 -17.880 -4.849 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.811 -20.087 -3.901 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.091 -18.912 -3.672 1.00 0.00 H new ATOM 0 HG SER A 23 9.309 -18.588 -1.502 1.00 0.00 H new ATOM 39 N GLY A 24 6.011 -19.114 -4.425 1.00 0.00 N ATOM 40 CA GLY A 24 4.589 -19.470 -4.343 1.00 0.00 C ATOM 41 C GLY A 24 3.681 -18.355 -4.869 1.00 0.00 C ATOM 42 O GLY A 24 2.689 -18.631 -5.560 1.00 0.00 O ATOM 0 H GLY A 24 6.469 -19.448 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.411 -20.381 -4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.330 -19.688 -3.307 1.00 0.00 H new ATOM 46 N TRP A 25 4.033 -17.086 -4.545 1.00 0.00 N ATOM 47 CA TRP A 25 3.228 -15.900 -4.901 1.00 0.00 C ATOM 48 C TRP A 25 3.141 -15.703 -6.435 1.00 0.00 C ATOM 49 O TRP A 25 2.085 -15.362 -6.969 1.00 0.00 O ATOM 50 CB TRP A 25 3.794 -14.622 -4.208 1.00 0.00 C ATOM 51 CG TRP A 25 5.101 -14.108 -4.781 1.00 0.00 C ATOM 52 CD1 TRP A 25 6.325 -14.707 -4.713 1.00 0.00 C ATOM 53 CD2 TRP A 25 5.297 -12.882 -5.513 1.00 0.00 C ATOM 54 NE1 TRP A 25 7.258 -13.938 -5.359 1.00 0.00 N ATOM 55 CE2 TRP A 25 6.656 -12.812 -5.853 1.00 0.00 C ATOM 56 CE3 TRP A 25 4.449 -11.834 -5.899 1.00 0.00 C ATOM 57 CZ2 TRP A 25 7.191 -11.751 -6.571 1.00 0.00 C ATOM 58 CZ3 TRP A 25 4.980 -10.781 -6.620 1.00 0.00 C ATOM 59 CH2 TRP A 25 6.345 -10.744 -6.946 1.00 0.00 C ATOM 0 H TRP A 25 4.884 -16.860 -4.029 1.00 0.00 H new ATOM 0 HA TRP A 25 2.214 -16.071 -4.538 1.00 0.00 H new ATOM 0 HB2 TRP A 25 3.048 -13.830 -4.276 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.938 -14.835 -3.149 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.529 -15.648 -4.223 1.00 0.00 H new ATOM 0 HE1 TRP A 25 8.247 -14.169 -5.456 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.401 -11.849 -5.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 8.240 -11.722 -6.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.335 -9.975 -6.937 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.734 -9.905 -7.503 1.00 0.00 H new ATOM 70 N ALA A 26 4.268 -15.937 -7.130 1.00 0.00 N ATOM 71 CA ALA A 26 4.382 -15.749 -8.588 1.00 0.00 C ATOM 72 C ALA A 26 5.033 -16.980 -9.212 1.00 0.00 C ATOM 73 O ALA A 26 4.519 -17.549 -10.177 1.00 0.00 O ATOM 74 CB ALA A 26 5.182 -14.474 -8.910 1.00 0.00 C ATOM 0 H ALA A 26 5.130 -16.264 -6.694 1.00 0.00 H new ATOM 0 HA ALA A 26 3.386 -15.628 -9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.255 -14.353 -9.991 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.676 -13.609 -8.482 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.183 -14.556 -8.486 1.00 0.00 H new ATOM 80 N ASN A 27 6.171 -17.397 -8.634 1.00 0.00 N ATOM 81 CA ASN A 27 6.919 -18.578 -9.099 1.00 0.00 C ATOM 82 C ASN A 27 6.457 -19.835 -8.340 1.00 0.00 C ATOM 83 O ASN A 27 6.320 -19.821 -7.120 1.00 0.00 O ATOM 84 CB ASN A 27 8.452 -18.356 -8.942 1.00 0.00 C ATOM 85 CG ASN A 27 8.908 -18.091 -7.504 1.00 0.00 C ATOM 86 OD1 ASN A 27 9.262 -19.009 -6.766 1.00 0.00 O ATOM 87 ND2 ASN A 27 8.884 -16.833 -7.093 1.00 0.00 N ATOM 0 H ASN A 27 6.597 -16.928 -7.835 1.00 0.00 H new ATOM 0 HA ASN A 27 6.713 -18.727 -10.159 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.975 -19.235 -9.320 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.751 -17.514 -9.566 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.164 -16.602 -6.140 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.585 -16.094 -7.730 1.00 0.00 H new ATOM 94 N ASP A 28 6.197 -20.908 -9.088 1.00 0.00 N ATOM 95 CA ASP A 28 5.809 -22.232 -8.555 1.00 0.00 C ATOM 96 C ASP A 28 6.316 -23.291 -9.541 1.00 0.00 C ATOM 97 O ASP A 28 6.909 -22.937 -10.541 1.00 0.00 O ATOM 98 CB ASP A 28 4.257 -22.318 -8.396 1.00 0.00 C ATOM 99 CG ASP A 28 3.772 -23.501 -7.532 1.00 0.00 C ATOM 100 OD1 ASP A 28 3.751 -23.371 -6.290 1.00 0.00 O ATOM 101 OD2 ASP A 28 3.421 -24.572 -8.095 1.00 0.00 O ATOM 0 H ASP A 28 6.249 -20.889 -10.106 1.00 0.00 H new ATOM 0 HA ASP A 28 6.246 -22.395 -7.570 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.897 -21.389 -7.954 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.806 -22.397 -9.385 1.00 0.00 H new ATOM 106 N ASP A 29 6.064 -24.576 -9.277 1.00 0.00 N ATOM 107 CA ASP A 29 6.430 -25.673 -10.202 1.00 0.00 C ATOM 108 C ASP A 29 5.543 -25.604 -11.451 1.00 0.00 C ATOM 109 O ASP A 29 6.020 -25.724 -12.581 1.00 0.00 O ATOM 110 CB ASP A 29 6.280 -27.049 -9.510 1.00 0.00 C ATOM 111 CG ASP A 29 6.570 -28.243 -10.448 1.00 0.00 C ATOM 112 OD1 ASP A 29 7.758 -28.523 -10.713 1.00 0.00 O ATOM 113 OD2 ASP A 29 5.616 -28.906 -10.915 1.00 0.00 O ATOM 0 H ASP A 29 5.604 -24.893 -8.424 1.00 0.00 H new ATOM 0 HA ASP A 29 7.474 -25.556 -10.493 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.957 -27.094 -8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.267 -27.142 -9.118 1.00 0.00 H new ATOM 118 N ALA A 30 4.249 -25.348 -11.209 1.00 0.00 N ATOM 119 CA ALA A 30 3.223 -25.246 -12.263 1.00 0.00 C ATOM 120 C ALA A 30 3.309 -23.901 -13.034 1.00 0.00 C ATOM 121 O ALA A 30 2.530 -23.668 -13.967 1.00 0.00 O ATOM 122 CB ALA A 30 1.831 -25.432 -11.632 1.00 0.00 C ATOM 0 H ALA A 30 3.880 -25.204 -10.269 1.00 0.00 H new ATOM 0 HA ALA A 30 3.401 -26.034 -12.995 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.068 -25.358 -12.406 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.774 -26.412 -11.159 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.665 -24.658 -10.883 1.00 0.00 H new ATOM 128 N VAL A 31 4.234 -23.007 -12.607 1.00 0.00 N ATOM 129 CA VAL A 31 4.528 -21.726 -13.298 1.00 0.00 C ATOM 130 C VAL A 31 5.940 -21.782 -13.942 1.00 0.00 C ATOM 131 O VAL A 31 6.179 -21.209 -15.017 1.00 0.00 O ATOM 132 CB VAL A 31 4.433 -20.505 -12.305 1.00 0.00 C ATOM 133 CG1 VAL A 31 4.676 -19.155 -13.030 1.00 0.00 C ATOM 134 CG2 VAL A 31 3.072 -20.496 -11.560 1.00 0.00 C ATOM 0 H VAL A 31 4.799 -23.154 -11.771 1.00 0.00 H new ATOM 0 HA VAL A 31 3.781 -21.583 -14.079 1.00 0.00 H new ATOM 0 HB VAL A 31 5.224 -20.627 -11.565 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.602 -18.338 -12.312 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.670 -19.156 -13.478 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.927 -19.021 -13.810 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.034 -19.643 -10.882 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.261 -20.420 -12.284 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.963 -21.418 -10.989 1.00 0.00 H new ATOM 144 N ASN A 32 6.857 -22.511 -13.283 1.00 0.00 N ATOM 145 CA ASN A 32 8.270 -22.637 -13.714 1.00 0.00 C ATOM 146 C ASN A 32 8.429 -23.736 -14.776 1.00 0.00 C ATOM 147 O ASN A 32 9.481 -23.854 -15.383 1.00 0.00 O ATOM 148 CB ASN A 32 9.203 -22.888 -12.493 1.00 0.00 C ATOM 149 CG ASN A 32 10.701 -22.893 -12.830 1.00 0.00 C ATOM 150 OD1 ASN A 32 11.333 -21.842 -12.906 1.00 0.00 O ATOM 151 ND2 ASN A 32 11.276 -24.069 -13.052 1.00 0.00 N ATOM 0 H ASN A 32 6.644 -23.033 -12.433 1.00 0.00 H new ATOM 0 HA ASN A 32 8.568 -21.694 -14.171 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.014 -22.120 -11.743 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.941 -23.845 -12.042 1.00 0.00 H new ATOM 0 HD21 ASN A 32 12.266 -24.115 -13.292 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.728 -24.926 -12.982 1.00 0.00 H new ATOM 158 N GLU A 33 7.372 -24.526 -15.019 1.00 0.00 N ATOM 159 CA GLU A 33 7.369 -25.523 -16.107 1.00 0.00 C ATOM 160 C GLU A 33 7.162 -24.816 -17.473 1.00 0.00 C ATOM 161 O GLU A 33 7.510 -25.363 -18.524 1.00 0.00 O ATOM 162 CB GLU A 33 6.323 -26.644 -15.816 1.00 0.00 C ATOM 163 CG GLU A 33 4.824 -26.288 -15.992 1.00 0.00 C ATOM 164 CD GLU A 33 4.257 -26.622 -17.389 1.00 0.00 C ATOM 165 OE1 GLU A 33 4.062 -27.829 -17.681 1.00 0.00 O ATOM 166 OE2 GLU A 33 4.025 -25.703 -18.199 1.00 0.00 O ATOM 0 H GLU A 33 6.508 -24.496 -14.478 1.00 0.00 H new ATOM 0 HA GLU A 33 8.337 -26.021 -16.160 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.546 -27.490 -16.467 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.470 -26.983 -14.791 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.244 -26.822 -15.239 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.690 -25.223 -15.802 1.00 0.00 H new ATOM 173 N GLN A 34 6.608 -23.577 -17.426 1.00 0.00 N ATOM 174 CA GLN A 34 6.534 -22.662 -18.589 1.00 0.00 C ATOM 175 C GLN A 34 7.913 -22.009 -18.822 1.00 0.00 C ATOM 176 O GLN A 34 8.269 -21.662 -19.948 1.00 0.00 O ATOM 177 CB GLN A 34 5.463 -21.539 -18.383 1.00 0.00 C ATOM 178 CG GLN A 34 3.972 -21.986 -18.347 1.00 0.00 C ATOM 179 CD GLN A 34 3.476 -22.543 -17.000 1.00 0.00 C ATOM 180 OE1 GLN A 34 4.220 -23.134 -16.240 1.00 0.00 O ATOM 181 NE2 GLN A 34 2.199 -22.340 -16.690 1.00 0.00 N ATOM 0 H GLN A 34 6.200 -23.186 -16.577 1.00 0.00 H new ATOM 0 HA GLN A 34 6.240 -23.254 -19.456 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.686 -21.025 -17.448 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.579 -20.809 -19.184 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.349 -21.134 -18.619 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.821 -22.748 -19.112 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.589 -21.842 -17.339 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.829 -22.682 -15.803 1.00 0.00 H new ATOM 190 N ILE A 35 8.661 -21.813 -17.719 1.00 0.00 N ATOM 191 CA ILE A 35 10.052 -21.313 -17.756 1.00 0.00 C ATOM 192 C ILE A 35 10.990 -22.446 -18.237 1.00 0.00 C ATOM 193 O ILE A 35 11.970 -22.206 -18.949 1.00 0.00 O ATOM 194 CB ILE A 35 10.489 -20.781 -16.332 1.00 0.00 C ATOM 195 CG1 ILE A 35 9.524 -19.651 -15.840 1.00 0.00 C ATOM 196 CG2 ILE A 35 11.964 -20.310 -16.290 1.00 0.00 C ATOM 197 CD1 ILE A 35 9.446 -18.419 -16.739 1.00 0.00 C ATOM 0 H ILE A 35 8.319 -21.997 -16.776 1.00 0.00 H new ATOM 0 HA ILE A 35 10.118 -20.479 -18.454 1.00 0.00 H new ATOM 0 HB ILE A 35 10.416 -21.626 -15.647 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.523 -20.070 -15.739 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.839 -19.335 -14.846 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.205 -19.956 -15.287 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.619 -21.142 -16.548 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.108 -19.500 -17.005 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.751 -17.698 -16.309 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.434 -17.966 -16.822 1.00 0.00 H new ATOM 0 HD13 ILE A 35 9.097 -18.713 -17.729 1.00 0.00 H new ATOM 209 N ASN A 36 10.621 -23.689 -17.879 1.00 0.00 N ATOM 210 CA ASN A 36 11.319 -24.922 -18.291 1.00 0.00 C ATOM 211 C ASN A 36 10.681 -25.492 -19.571 1.00 0.00 C ATOM 212 O ASN A 36 10.726 -26.700 -19.810 1.00 0.00 O ATOM 213 CB ASN A 36 11.283 -25.967 -17.132 1.00 0.00 C ATOM 214 CG ASN A 36 12.182 -25.610 -15.938 1.00 0.00 C ATOM 215 OD1 ASN A 36 12.482 -24.441 -15.679 1.00 0.00 O ATOM 216 ND2 ASN A 36 12.610 -26.623 -15.194 1.00 0.00 N ATOM 0 H ASN A 36 9.813 -23.869 -17.283 1.00 0.00 H new ATOM 0 HA ASN A 36 12.361 -24.688 -18.509 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.256 -26.070 -16.782 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.585 -26.938 -17.523 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.203 -26.446 -14.384 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.345 -27.579 -15.433 1.00 0.00 H new ATOM 223 N SER A 37 10.161 -24.591 -20.434 1.00 0.00 N ATOM 224 CA SER A 37 9.594 -24.952 -21.752 1.00 0.00 C ATOM 225 C SER A 37 10.676 -25.446 -22.743 1.00 0.00 C ATOM 226 O SER A 37 10.375 -25.780 -23.887 1.00 0.00 O ATOM 227 CB SER A 37 8.809 -23.748 -22.333 1.00 0.00 C ATOM 228 OG SER A 37 9.606 -22.574 -22.361 1.00 0.00 O ATOM 0 H SER A 37 10.123 -23.591 -20.235 1.00 0.00 H new ATOM 0 HA SER A 37 8.909 -25.787 -21.604 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.472 -23.985 -23.342 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.917 -23.570 -21.733 1.00 0.00 H new ATOM 0 HG SER A 37 9.360 -21.994 -21.610 1.00 0.00 H new ATOM 234 N THR A 38 11.931 -25.480 -22.276 1.00 0.00 N ATOM 235 CA THR A 38 13.061 -26.088 -22.984 1.00 0.00 C ATOM 236 C THR A 38 12.887 -27.625 -23.087 1.00 0.00 C ATOM 237 O THR A 38 13.292 -28.249 -24.079 1.00 0.00 O ATOM 238 CB THR A 38 14.392 -25.754 -22.241 1.00 0.00 C ATOM 239 OG1 THR A 38 14.495 -24.334 -22.043 1.00 0.00 O ATOM 240 CG2 THR A 38 15.610 -26.261 -23.019 1.00 0.00 C ATOM 0 H THR A 38 12.193 -25.077 -21.376 1.00 0.00 H new ATOM 0 HA THR A 38 13.095 -25.678 -23.993 1.00 0.00 H new ATOM 0 HB THR A 38 14.376 -26.259 -21.275 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.331 -24.129 -21.575 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.520 -26.012 -22.473 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.542 -27.343 -23.137 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.636 -25.790 -24.002 1.00 0.00 H new ATOM 248 N ILE A 39 12.266 -28.213 -22.045 1.00 0.00 N ATOM 249 CA ILE A 39 12.014 -29.661 -21.951 1.00 0.00 C ATOM 250 C ILE A 39 10.928 -30.074 -22.971 1.00 0.00 C ATOM 251 O ILE A 39 11.068 -31.079 -23.678 1.00 0.00 O ATOM 252 CB ILE A 39 11.604 -30.101 -20.476 1.00 0.00 C ATOM 253 CG1 ILE A 39 12.817 -30.003 -19.469 1.00 0.00 C ATOM 254 CG2 ILE A 39 11.005 -31.536 -20.446 1.00 0.00 C ATOM 255 CD1 ILE A 39 13.339 -28.603 -19.170 1.00 0.00 C ATOM 0 H ILE A 39 11.923 -27.690 -21.239 1.00 0.00 H new ATOM 0 HA ILE A 39 12.943 -30.179 -22.189 1.00 0.00 H new ATOM 0 HB ILE A 39 10.835 -29.399 -20.153 1.00 0.00 H new ATOM 0 HG12 ILE A 39 12.518 -30.464 -18.528 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.640 -30.597 -19.867 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.739 -31.798 -19.422 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.114 -31.572 -21.073 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.742 -32.246 -20.822 1.00 0.00 H new ATOM 0 HD11 ILE A 39 14.170 -28.667 -18.467 1.00 0.00 H new ATOM 0 HD12 ILE A 39 13.680 -28.137 -20.094 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.541 -28.002 -18.734 1.00 0.00 H new ATOM 267 N GLU A 40 9.869 -29.249 -23.083 1.00 0.00 N ATOM 268 CA GLU A 40 8.742 -29.518 -24.007 1.00 0.00 C ATOM 269 C GLU A 40 9.173 -29.192 -25.450 1.00 0.00 C ATOM 270 O GLU A 40 8.653 -29.766 -26.404 1.00 0.00 O ATOM 271 CB GLU A 40 7.478 -28.710 -23.599 1.00 0.00 C ATOM 272 CG GLU A 40 7.512 -27.212 -23.958 1.00 0.00 C ATOM 273 CD GLU A 40 6.345 -26.408 -23.372 1.00 0.00 C ATOM 274 OE1 GLU A 40 6.287 -26.258 -22.133 1.00 0.00 O ATOM 275 OE2 GLU A 40 5.491 -25.920 -24.139 1.00 0.00 O ATOM 0 H GLU A 40 9.767 -28.388 -22.545 1.00 0.00 H new ATOM 0 HA GLU A 40 8.479 -30.574 -23.948 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.608 -29.162 -24.076 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.337 -28.806 -22.522 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.450 -26.784 -23.603 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.504 -27.108 -25.043 1.00 0.00 H new ATOM 282 N ASP A 41 10.136 -28.253 -25.571 1.00 0.00 N ATOM 283 CA ASP A 41 10.817 -27.917 -26.838 1.00 0.00 C ATOM 284 C ASP A 41 11.651 -29.119 -27.311 1.00 0.00 C ATOM 285 O ASP A 41 11.676 -29.440 -28.504 1.00 0.00 O ATOM 286 CB ASP A 41 11.725 -26.683 -26.621 1.00 0.00 C ATOM 287 CG ASP A 41 12.447 -26.175 -27.881 1.00 0.00 C ATOM 288 OD1 ASP A 41 13.564 -26.651 -28.188 1.00 0.00 O ATOM 289 OD2 ASP A 41 11.916 -25.272 -28.553 1.00 0.00 O ATOM 0 H ASP A 41 10.466 -27.700 -24.780 1.00 0.00 H new ATOM 0 HA ASP A 41 10.077 -27.682 -27.603 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.119 -25.872 -26.216 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.473 -26.929 -25.867 1.00 0.00 H new ATOM 294 N ALA A 42 12.301 -29.788 -26.345 1.00 0.00 N ATOM 295 CA ALA A 42 13.127 -30.984 -26.591 1.00 0.00 C ATOM 296 C ALA A 42 12.275 -32.147 -27.128 1.00 0.00 C ATOM 297 O ALA A 42 12.746 -32.956 -27.933 1.00 0.00 O ATOM 298 CB ALA A 42 13.860 -31.388 -25.303 1.00 0.00 C ATOM 0 H ALA A 42 12.269 -29.513 -25.363 1.00 0.00 H new ATOM 0 HA ALA A 42 13.867 -30.743 -27.354 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.468 -32.272 -25.493 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.502 -30.569 -24.977 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.131 -31.609 -24.524 1.00 0.00 H new ATOM 304 N ILE A 43 11.016 -32.226 -26.662 1.00 0.00 N ATOM 305 CA ILE A 43 10.049 -33.235 -27.139 1.00 0.00 C ATOM 306 C ILE A 43 9.298 -32.717 -28.406 1.00 0.00 C ATOM 307 O ILE A 43 8.745 -33.507 -29.180 1.00 0.00 O ATOM 308 CB ILE A 43 9.028 -33.641 -26.006 1.00 0.00 C ATOM 309 CG1 ILE A 43 9.743 -33.892 -24.637 1.00 0.00 C ATOM 310 CG2 ILE A 43 8.203 -34.889 -26.410 1.00 0.00 C ATOM 311 CD1 ILE A 43 10.741 -35.041 -24.615 1.00 0.00 C ATOM 0 H ILE A 43 10.641 -31.599 -25.950 1.00 0.00 H new ATOM 0 HA ILE A 43 10.608 -34.131 -27.410 1.00 0.00 H new ATOM 0 HB ILE A 43 8.348 -32.798 -25.883 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.262 -32.979 -24.346 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.982 -34.081 -23.880 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.510 -35.142 -25.608 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.643 -34.676 -27.320 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.876 -35.728 -26.586 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.177 -35.126 -23.619 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.231 -35.971 -24.868 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.531 -34.851 -25.342 1.00 0.00 H new ATOM 323 N ALA A 44 9.291 -31.378 -28.612 1.00 0.00 N ATOM 324 CA ALA A 44 8.642 -30.730 -29.778 1.00 0.00 C ATOM 325 C ALA A 44 9.376 -31.105 -31.070 1.00 0.00 C ATOM 326 O ALA A 44 8.780 -31.649 -32.000 1.00 0.00 O ATOM 327 CB ALA A 44 8.588 -29.205 -29.600 1.00 0.00 C ATOM 0 H ALA A 44 9.735 -30.717 -27.975 1.00 0.00 H new ATOM 0 HA ALA A 44 7.616 -31.092 -29.846 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.108 -28.754 -30.468 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.017 -28.963 -28.703 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.601 -28.814 -29.502 1.00 0.00 H new ATOM 333 N ARG A 45 10.690 -30.845 -31.105 1.00 0.00 N ATOM 334 CA ARG A 45 11.548 -31.212 -32.256 1.00 0.00 C ATOM 335 C ARG A 45 11.792 -32.740 -32.347 1.00 0.00 C ATOM 336 O ARG A 45 12.372 -33.224 -33.326 1.00 0.00 O ATOM 337 CB ARG A 45 12.876 -30.380 -32.237 1.00 0.00 C ATOM 338 CG ARG A 45 13.626 -30.254 -30.879 1.00 0.00 C ATOM 339 CD ARG A 45 14.236 -31.559 -30.347 1.00 0.00 C ATOM 340 NE ARG A 45 15.237 -32.121 -31.254 1.00 0.00 N ATOM 341 CZ ARG A 45 15.769 -33.347 -31.161 1.00 0.00 C ATOM 342 NH1 ARG A 45 15.408 -34.182 -30.190 1.00 0.00 N ATOM 343 NH2 ARG A 45 16.661 -33.737 -32.055 1.00 0.00 N ATOM 0 H ARG A 45 11.191 -30.379 -30.348 1.00 0.00 H new ATOM 0 HA ARG A 45 11.015 -30.952 -33.171 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.561 -30.823 -32.960 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.648 -29.374 -32.590 1.00 0.00 H new ATOM 0 HG2 ARG A 45 14.422 -29.517 -30.989 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.932 -29.865 -30.133 1.00 0.00 H new ATOM 0 HD2 ARG A 45 14.695 -31.372 -29.376 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.442 -32.289 -30.190 1.00 0.00 H new ATOM 0 HE ARG A 45 15.557 -31.530 -32.021 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.715 -33.893 -29.500 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.824 -35.112 -30.136 1.00 0.00 H new ATOM 0 HH21 ARG A 45 16.939 -33.106 -32.807 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.072 -34.669 -31.993 1.00 0.00 H new ATOM 357 N ALA A 46 11.343 -33.482 -31.314 1.00 0.00 N ATOM 358 CA ALA A 46 11.467 -34.948 -31.250 1.00 0.00 C ATOM 359 C ALA A 46 10.269 -35.665 -31.913 1.00 0.00 C ATOM 360 O ALA A 46 10.458 -36.531 -32.769 1.00 0.00 O ATOM 361 CB ALA A 46 11.604 -35.410 -29.794 1.00 0.00 C ATOM 0 H ALA A 46 10.883 -33.077 -30.499 1.00 0.00 H new ATOM 0 HA ALA A 46 12.365 -35.217 -31.806 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.695 -36.496 -29.764 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.492 -34.959 -29.351 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.723 -35.104 -29.231 1.00 0.00 H new ATOM 367 N ARG A 47 9.031 -35.310 -31.492 1.00 0.00 N ATOM 368 CA ARG A 47 7.795 -36.020 -31.920 1.00 0.00 C ATOM 369 C ARG A 47 6.662 -35.044 -32.281 1.00 0.00 C ATOM 370 O ARG A 47 5.657 -35.446 -32.884 1.00 0.00 O ATOM 371 CB ARG A 47 7.346 -37.021 -30.807 1.00 0.00 C ATOM 372 CG ARG A 47 6.819 -36.422 -29.461 1.00 0.00 C ATOM 373 CD ARG A 47 5.281 -36.243 -29.421 1.00 0.00 C ATOM 374 NE ARG A 47 4.765 -35.957 -28.057 1.00 0.00 N ATOM 375 CZ ARG A 47 3.792 -36.662 -27.434 1.00 0.00 C ATOM 376 NH1 ARG A 47 3.290 -37.763 -27.984 1.00 0.00 N ATOM 377 NH2 ARG A 47 3.345 -36.280 -26.247 1.00 0.00 N ATOM 0 H ARG A 47 8.859 -34.533 -30.854 1.00 0.00 H new ATOM 0 HA ARG A 47 8.024 -36.579 -32.827 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.562 -37.655 -31.222 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.192 -37.669 -30.578 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.122 -37.072 -28.640 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.293 -35.455 -29.293 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.998 -35.429 -30.089 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.805 -37.147 -29.801 1.00 0.00 H new ATOM 0 HE ARG A 47 5.175 -35.171 -27.553 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.638 -38.086 -28.887 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.557 -38.285 -27.503 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.734 -35.451 -25.798 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.612 -36.815 -25.782 1.00 0.00 H new ATOM 391 N GLY A 48 6.829 -33.767 -31.920 1.00 0.00 N ATOM 392 CA GLY A 48 5.782 -32.762 -32.104 1.00 0.00 C ATOM 393 C GLY A 48 4.896 -32.635 -30.873 1.00 0.00 C ATOM 394 O GLY A 48 3.671 -32.774 -30.963 1.00 0.00 O ATOM 0 H GLY A 48 7.684 -33.406 -31.497 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.239 -31.797 -32.324 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.170 -33.028 -32.966 1.00 0.00 H new ATOM 398 N GLU A 49 5.547 -32.419 -29.714 1.00 0.00 N ATOM 399 CA GLU A 49 4.877 -32.187 -28.422 1.00 0.00 C ATOM 400 C GLU A 49 4.053 -30.885 -28.470 1.00 0.00 C ATOM 401 O GLU A 49 2.829 -30.917 -28.667 1.00 0.00 O ATOM 402 CB GLU A 49 5.934 -32.127 -27.284 1.00 0.00 C ATOM 403 CG GLU A 49 5.363 -32.043 -25.855 1.00 0.00 C ATOM 404 CD GLU A 49 4.583 -33.307 -25.457 1.00 0.00 C ATOM 405 OE1 GLU A 49 5.205 -34.292 -25.012 1.00 0.00 O ATOM 406 OE2 GLU A 49 3.353 -33.347 -25.636 1.00 0.00 O ATOM 0 H GLU A 49 6.565 -32.401 -29.649 1.00 0.00 H new ATOM 0 HA GLU A 49 4.194 -33.013 -28.222 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.567 -33.011 -27.353 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.575 -31.262 -27.452 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.179 -31.887 -25.150 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.706 -31.176 -25.780 1.00 0.00 H new ATOM 413 N ILE A 50 4.737 -29.734 -28.315 1.00 0.00 N ATOM 414 CA ILE A 50 4.102 -28.410 -28.349 1.00 0.00 C ATOM 415 C ILE A 50 4.677 -27.598 -29.526 1.00 0.00 C ATOM 416 O ILE A 50 5.898 -27.497 -29.666 1.00 0.00 O ATOM 417 CB ILE A 50 4.274 -27.635 -26.984 1.00 0.00 C ATOM 418 CG1 ILE A 50 3.548 -28.391 -25.824 1.00 0.00 C ATOM 419 CG2 ILE A 50 3.775 -26.162 -27.071 1.00 0.00 C ATOM 420 CD1 ILE A 50 2.041 -28.589 -26.009 1.00 0.00 C ATOM 0 H ILE A 50 5.745 -29.701 -28.163 1.00 0.00 H new ATOM 0 HA ILE A 50 3.030 -28.546 -28.494 1.00 0.00 H new ATOM 0 HB ILE A 50 5.342 -27.601 -26.771 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.013 -29.369 -25.704 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.714 -27.843 -24.897 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.915 -25.673 -26.107 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.343 -25.630 -27.834 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.717 -26.151 -27.333 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.636 -29.123 -25.149 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.554 -27.618 -26.095 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.859 -29.168 -26.915 1.00 0.00 H new ATOM 432 N PRO A 51 3.786 -27.051 -30.414 1.00 0.00 N ATOM 433 CA PRO A 51 4.161 -26.087 -31.482 1.00 0.00 C ATOM 434 C PRO A 51 4.912 -24.819 -30.979 1.00 0.00 C ATOM 435 O PRO A 51 5.254 -24.683 -29.798 1.00 0.00 O ATOM 436 CB PRO A 51 2.794 -25.702 -32.104 1.00 0.00 C ATOM 437 CG PRO A 51 1.889 -26.851 -31.809 1.00 0.00 C ATOM 438 CD PRO A 51 2.342 -27.391 -30.472 1.00 0.00 C ATOM 0 HA PRO A 51 4.869 -26.537 -32.178 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.411 -24.778 -31.670 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.883 -25.537 -33.178 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.848 -26.530 -31.770 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.959 -27.614 -32.584 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.791 -26.933 -29.650 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.183 -28.467 -30.402 1.00 0.00 H new ATOM 446 N ARG A 52 5.127 -23.876 -31.904 1.00 0.00 N ATOM 447 CA ARG A 52 5.855 -22.615 -31.648 1.00 0.00 C ATOM 448 C ARG A 52 4.914 -21.529 -31.076 1.00 0.00 C ATOM 449 O ARG A 52 4.959 -20.362 -31.485 1.00 0.00 O ATOM 450 CB ARG A 52 6.527 -22.161 -32.981 1.00 0.00 C ATOM 451 CG ARG A 52 7.509 -23.202 -33.570 1.00 0.00 C ATOM 452 CD ARG A 52 8.675 -23.489 -32.610 1.00 0.00 C ATOM 453 NE ARG A 52 9.469 -24.670 -33.003 1.00 0.00 N ATOM 454 CZ ARG A 52 10.369 -25.278 -32.210 1.00 0.00 C ATOM 455 NH1 ARG A 52 10.582 -24.838 -30.980 1.00 0.00 N ATOM 456 NH2 ARG A 52 11.026 -26.342 -32.636 1.00 0.00 N ATOM 0 H ARG A 52 4.798 -23.963 -32.866 1.00 0.00 H new ATOM 0 HA ARG A 52 6.624 -22.776 -30.893 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.750 -21.951 -33.716 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.062 -21.227 -32.808 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.974 -24.128 -33.781 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.901 -22.837 -34.519 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.327 -22.617 -32.569 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.282 -23.641 -31.605 1.00 0.00 H new ATOM 0 HE ARG A 52 9.325 -25.050 -33.939 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.062 -24.034 -30.629 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.266 -25.303 -30.383 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.852 -26.708 -33.572 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.707 -26.798 -32.029 1.00 0.00 H new ATOM 470 N GLY A 53 4.096 -21.925 -30.081 1.00 0.00 N ATOM 471 CA GLY A 53 3.043 -21.061 -29.527 1.00 0.00 C ATOM 472 C GLY A 53 1.823 -21.001 -30.443 1.00 0.00 C ATOM 473 O GLY A 53 0.993 -20.096 -30.328 1.00 0.00 O ATOM 0 H GLY A 53 4.148 -22.845 -29.644 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.745 -21.433 -28.547 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.437 -20.056 -29.379 1.00 0.00 H new ATOM 477 N GLU A 54 1.727 -21.984 -31.354 1.00 0.00 N ATOM 478 CA GLU A 54 0.747 -21.991 -32.454 1.00 0.00 C ATOM 479 C GLU A 54 -0.587 -22.640 -32.018 1.00 0.00 C ATOM 480 O GLU A 54 -0.786 -22.952 -30.837 1.00 0.00 O ATOM 481 CB GLU A 54 1.361 -22.736 -33.672 1.00 0.00 C ATOM 482 CG GLU A 54 2.724 -22.184 -34.138 1.00 0.00 C ATOM 483 CD GLU A 54 3.400 -23.075 -35.191 1.00 0.00 C ATOM 484 OE1 GLU A 54 4.075 -24.054 -34.806 1.00 0.00 O ATOM 485 OE2 GLU A 54 3.257 -22.811 -36.400 1.00 0.00 O ATOM 0 H GLU A 54 2.333 -22.804 -31.348 1.00 0.00 H new ATOM 0 HA GLU A 54 0.520 -20.963 -32.736 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.478 -23.789 -33.417 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.659 -22.686 -34.504 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.584 -21.185 -34.550 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.384 -22.084 -33.276 1.00 0.00 H new ATOM 492 N SER A 55 -1.490 -22.815 -32.996 1.00 0.00 N ATOM 493 CA SER A 55 -2.847 -23.338 -32.792 1.00 0.00 C ATOM 494 C SER A 55 -2.855 -24.726 -32.114 1.00 0.00 C ATOM 495 O SER A 55 -2.106 -25.626 -32.510 1.00 0.00 O ATOM 496 CB SER A 55 -3.538 -23.404 -34.161 1.00 0.00 C ATOM 497 OG SER A 55 -3.511 -22.137 -34.794 1.00 0.00 O ATOM 0 H SER A 55 -1.291 -22.591 -33.971 1.00 0.00 H new ATOM 0 HA SER A 55 -3.382 -22.670 -32.117 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.040 -24.142 -34.790 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.570 -23.733 -34.038 1.00 0.00 H new ATOM 0 HG SER A 55 -4.058 -22.166 -35.607 1.00 0.00 H new ATOM 503 N LEU A 56 -3.708 -24.871 -31.087 1.00 0.00 N ATOM 504 CA LEU A 56 -3.876 -26.127 -30.327 1.00 0.00 C ATOM 505 C LEU A 56 -5.162 -26.860 -30.776 1.00 0.00 C ATOM 506 O LEU A 56 -5.875 -26.388 -31.667 1.00 0.00 O ATOM 507 CB LEU A 56 -3.834 -25.836 -28.783 1.00 0.00 C ATOM 508 CG LEU A 56 -4.663 -24.627 -28.229 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.166 -24.795 -28.442 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.364 -24.354 -26.739 1.00 0.00 C ATOM 0 H LEU A 56 -4.307 -24.115 -30.756 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.046 -26.801 -30.540 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.172 -26.734 -28.267 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.792 -25.680 -28.503 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.342 -23.762 -28.809 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.690 -23.928 -28.039 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.375 -24.882 -29.508 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.508 -25.695 -27.931 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.960 -23.508 -26.397 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.615 -25.236 -26.150 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.305 -24.125 -26.616 1.00 0.00 H new ATOM 522 N ASP A 57 -5.457 -28.004 -30.132 1.00 0.00 N ATOM 523 CA ASP A 57 -6.623 -28.861 -30.466 1.00 0.00 C ATOM 524 C ASP A 57 -7.603 -28.990 -29.273 1.00 0.00 C ATOM 525 O ASP A 57 -8.643 -29.655 -29.387 1.00 0.00 O ATOM 526 CB ASP A 57 -6.136 -30.261 -30.926 1.00 0.00 C ATOM 527 CG ASP A 57 -5.367 -31.036 -29.835 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.224 -30.647 -29.511 1.00 0.00 O ATOM 529 OD2 ASP A 57 -5.912 -32.025 -29.290 1.00 0.00 O ATOM 0 H ASP A 57 -4.895 -28.366 -29.362 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.167 -28.384 -31.281 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.997 -30.851 -31.241 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.493 -30.144 -31.799 1.00 0.00 H new ATOM 534 N GLU A 58 -7.285 -28.304 -28.152 1.00 0.00 N ATOM 535 CA GLU A 58 -8.065 -28.360 -26.887 1.00 0.00 C ATOM 536 C GLU A 58 -8.181 -26.949 -26.273 1.00 0.00 C ATOM 537 O GLU A 58 -7.188 -26.364 -25.844 1.00 0.00 O ATOM 538 CB GLU A 58 -7.419 -29.324 -25.856 1.00 0.00 C ATOM 539 CG GLU A 58 -7.453 -30.806 -26.246 1.00 0.00 C ATOM 540 CD GLU A 58 -6.775 -31.699 -25.202 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.526 -31.712 -25.141 1.00 0.00 O ATOM 542 OE2 GLU A 58 -7.483 -32.371 -24.421 1.00 0.00 O ATOM 0 H GLU A 58 -6.473 -27.689 -28.096 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.058 -28.740 -27.130 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.381 -29.027 -25.704 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.928 -29.204 -24.900 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.488 -31.122 -26.373 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.959 -30.937 -27.209 1.00 0.00 H new ATOM 549 N CYS A 59 -9.412 -26.422 -26.288 1.00 0.00 N ATOM 550 CA CYS A 59 -9.806 -25.142 -25.656 1.00 0.00 C ATOM 551 C CYS A 59 -9.319 -25.024 -24.199 1.00 0.00 C ATOM 552 O CYS A 59 -9.592 -25.910 -23.399 1.00 0.00 O ATOM 553 CB CYS A 59 -11.339 -25.075 -25.706 1.00 0.00 C ATOM 554 SG CYS A 59 -12.103 -23.638 -24.907 1.00 0.00 S ATOM 0 H CYS A 59 -10.192 -26.885 -26.754 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.344 -24.316 -26.196 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.649 -25.091 -26.751 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.737 -25.977 -25.242 1.00 0.00 H new ATOM 559 N GLU A 60 -8.619 -23.924 -23.851 1.00 0.00 N ATOM 560 CA GLU A 60 -8.102 -23.718 -22.472 1.00 0.00 C ATOM 561 C GLU A 60 -9.228 -23.355 -21.458 1.00 0.00 C ATOM 562 O GLU A 60 -8.994 -23.331 -20.248 1.00 0.00 O ATOM 563 CB GLU A 60 -6.998 -22.633 -22.461 1.00 0.00 C ATOM 564 CG GLU A 60 -7.466 -21.230 -22.887 1.00 0.00 C ATOM 565 CD GLU A 60 -6.381 -20.164 -22.724 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.362 -20.234 -23.436 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.536 -19.252 -21.893 1.00 0.00 O ATOM 0 H GLU A 60 -8.397 -23.167 -24.497 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.675 -24.668 -22.150 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.579 -22.571 -21.457 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.192 -22.948 -23.124 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.785 -21.260 -23.929 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.337 -20.948 -22.295 1.00 0.00 H new ATOM 574 N GLU A 61 -10.442 -23.088 -21.971 1.00 0.00 N ATOM 575 CA GLU A 61 -11.616 -22.701 -21.162 1.00 0.00 C ATOM 576 C GLU A 61 -12.368 -23.937 -20.668 1.00 0.00 C ATOM 577 O GLU A 61 -12.585 -24.121 -19.467 1.00 0.00 O ATOM 578 CB GLU A 61 -12.571 -21.834 -22.023 1.00 0.00 C ATOM 579 CG GLU A 61 -11.953 -20.552 -22.576 1.00 0.00 C ATOM 580 CD GLU A 61 -11.778 -19.436 -21.535 1.00 0.00 C ATOM 581 OE1 GLU A 61 -10.822 -19.487 -20.741 1.00 0.00 O ATOM 582 OE2 GLU A 61 -12.599 -18.493 -21.520 1.00 0.00 O ATOM 0 H GLU A 61 -10.640 -23.135 -22.971 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.269 -22.134 -20.298 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.931 -22.436 -22.857 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.441 -21.571 -21.421 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.980 -20.788 -23.006 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.579 -20.181 -23.388 1.00 0.00 H new ATOM 589 N CYS A 62 -12.747 -24.796 -21.629 1.00 0.00 N ATOM 590 CA CYS A 62 -13.676 -25.911 -21.364 1.00 0.00 C ATOM 591 C CYS A 62 -13.181 -27.242 -21.963 1.00 0.00 C ATOM 592 O CYS A 62 -13.930 -28.219 -21.989 1.00 0.00 O ATOM 593 CB CYS A 62 -15.083 -25.542 -21.901 1.00 0.00 C ATOM 594 SG CYS A 62 -15.253 -25.500 -23.709 1.00 0.00 S ATOM 0 H CYS A 62 -12.426 -24.741 -22.596 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.727 -26.064 -20.286 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.802 -26.258 -21.504 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.357 -24.564 -21.506 1.00 0.00 H new ATOM 599 N GLY A 63 -11.908 -27.271 -22.414 1.00 0.00 N ATOM 600 CA GLY A 63 -11.291 -28.466 -23.032 1.00 0.00 C ATOM 601 C GLY A 63 -12.045 -29.031 -24.232 1.00 0.00 C ATOM 602 O GLY A 63 -11.960 -30.222 -24.520 1.00 0.00 O ATOM 0 H GLY A 63 -11.280 -26.469 -22.360 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.278 -28.213 -23.344 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.206 -29.246 -22.275 1.00 0.00 H new ATOM 606 N ALA A 64 -12.800 -28.163 -24.919 1.00 0.00 N ATOM 607 CA ALA A 64 -13.596 -28.549 -26.101 1.00 0.00 C ATOM 608 C ALA A 64 -12.696 -28.730 -27.341 1.00 0.00 C ATOM 609 O ALA A 64 -11.677 -28.028 -27.460 1.00 0.00 O ATOM 610 CB ALA A 64 -14.670 -27.489 -26.366 1.00 0.00 C ATOM 0 H ALA A 64 -12.879 -27.176 -24.675 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.078 -29.506 -25.900 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.257 -27.776 -27.239 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.325 -27.410 -25.498 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.193 -26.526 -26.549 1.00 0.00 H new ATOM 616 N PRO A 65 -13.073 -29.652 -28.291 1.00 0.00 N ATOM 617 CA PRO A 65 -12.313 -29.871 -29.542 1.00 0.00 C ATOM 618 C PRO A 65 -12.273 -28.592 -30.411 1.00 0.00 C ATOM 619 O PRO A 65 -13.312 -28.105 -30.880 1.00 0.00 O ATOM 620 CB PRO A 65 -13.075 -31.028 -30.245 1.00 0.00 C ATOM 621 CG PRO A 65 -14.447 -30.996 -29.650 1.00 0.00 C ATOM 622 CD PRO A 65 -14.259 -30.552 -28.219 1.00 0.00 C ATOM 0 HA PRO A 65 -11.267 -30.117 -29.361 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.108 -30.882 -31.325 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.589 -31.987 -30.068 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.094 -30.306 -30.193 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.918 -31.978 -29.697 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.138 -30.029 -27.841 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.082 -31.398 -27.555 1.00 0.00 H new ATOM 630 N ILE A 66 -11.068 -28.021 -30.533 1.00 0.00 N ATOM 631 CA ILE A 66 -10.798 -26.856 -31.382 1.00 0.00 C ATOM 632 C ILE A 66 -10.967 -27.243 -32.866 1.00 0.00 C ATOM 633 O ILE A 66 -10.263 -28.141 -33.346 1.00 0.00 O ATOM 634 CB ILE A 66 -9.346 -26.317 -31.112 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.207 -25.874 -29.633 1.00 0.00 C ATOM 636 CG2 ILE A 66 -8.970 -25.165 -32.077 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.806 -24.534 -29.306 1.00 0.00 C ATOM 0 H ILE A 66 -10.243 -28.360 -30.038 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.508 -26.064 -31.144 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.646 -27.131 -31.301 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.675 -26.627 -28.999 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.148 -25.853 -29.375 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.959 -24.821 -31.857 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.016 -25.523 -33.106 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.670 -24.339 -31.948 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.656 -24.317 -28.248 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.323 -23.763 -29.907 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.874 -24.549 -29.526 1.00 0.00 H new ATOM 649 N PRO A 67 -11.910 -26.581 -33.610 1.00 0.00 N ATOM 650 CA PRO A 67 -12.147 -26.883 -35.028 1.00 0.00 C ATOM 651 C PRO A 67 -11.032 -26.286 -35.916 1.00 0.00 C ATOM 652 O PRO A 67 -10.440 -25.244 -35.574 1.00 0.00 O ATOM 653 CB PRO A 67 -13.527 -26.238 -35.291 1.00 0.00 C ATOM 654 CG PRO A 67 -13.581 -25.073 -34.357 1.00 0.00 C ATOM 655 CD PRO A 67 -12.791 -25.484 -33.131 1.00 0.00 C ATOM 0 HA PRO A 67 -12.137 -27.948 -35.261 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.625 -25.919 -36.329 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.337 -26.941 -35.096 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.152 -24.183 -34.818 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.611 -24.831 -34.095 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.209 -24.651 -32.735 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.448 -25.823 -32.330 1.00 0.00 H new ATOM 663 N GLN A 68 -10.758 -26.956 -37.050 1.00 0.00 N ATOM 664 CA GLN A 68 -9.674 -26.573 -37.975 1.00 0.00 C ATOM 665 C GLN A 68 -9.876 -25.156 -38.533 1.00 0.00 C ATOM 666 O GLN A 68 -8.901 -24.485 -38.878 1.00 0.00 O ATOM 667 CB GLN A 68 -9.533 -27.631 -39.120 1.00 0.00 C ATOM 668 CG GLN A 68 -10.766 -27.792 -40.057 1.00 0.00 C ATOM 669 CD GLN A 68 -10.683 -27.045 -41.405 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.849 -26.017 -41.507 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -11.331 -27.436 -42.378 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.281 -27.778 -37.352 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.741 -26.557 -37.412 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.670 -27.364 -39.730 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.316 -28.599 -38.668 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.910 -28.853 -40.259 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.652 -27.446 -39.524 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.967 -28.227 -42.282 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.231 -26.968 -43.279 1.00 0.00 H new ATOM 680 N ALA A 69 -11.152 -24.718 -38.606 1.00 0.00 N ATOM 681 CA ALA A 69 -11.535 -23.382 -39.105 1.00 0.00 C ATOM 682 C ALA A 69 -10.944 -22.285 -38.205 1.00 0.00 C ATOM 683 O ALA A 69 -10.442 -21.276 -38.695 1.00 0.00 O ATOM 684 CB ALA A 69 -13.071 -23.258 -39.197 1.00 0.00 C ATOM 0 H ALA A 69 -11.949 -25.286 -38.318 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.127 -23.253 -40.108 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.335 -22.267 -39.566 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.457 -24.015 -39.880 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.508 -23.405 -38.209 1.00 0.00 H new ATOM 690 N ARG A 70 -10.987 -22.510 -36.879 1.00 0.00 N ATOM 691 CA ARG A 70 -10.397 -21.586 -35.890 1.00 0.00 C ATOM 692 C ARG A 70 -8.863 -21.646 -35.923 1.00 0.00 C ATOM 693 O ARG A 70 -8.196 -20.647 -35.659 1.00 0.00 O ATOM 694 CB ARG A 70 -10.932 -21.900 -34.468 1.00 0.00 C ATOM 695 CG ARG A 70 -12.430 -21.567 -34.242 1.00 0.00 C ATOM 696 CD ARG A 70 -12.736 -20.051 -34.140 1.00 0.00 C ATOM 697 NE ARG A 70 -12.599 -19.323 -35.419 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.571 -17.983 -35.547 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.667 -17.185 -34.494 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.468 -17.440 -36.741 1.00 0.00 N ATOM 0 H ARG A 70 -11.428 -23.331 -36.464 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.695 -20.571 -36.154 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.776 -22.959 -34.263 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.338 -21.344 -33.742 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.012 -21.989 -35.061 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.765 -22.056 -33.327 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.751 -19.920 -33.766 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.066 -19.604 -33.406 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.520 -19.879 -36.271 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.765 -17.583 -33.560 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.643 -16.173 -34.617 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.410 -18.034 -37.568 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.447 -16.425 -36.840 1.00 0.00 H new ATOM 714 N ARG A 71 -8.316 -22.831 -36.247 1.00 0.00 N ATOM 715 CA ARG A 71 -6.857 -23.063 -36.287 1.00 0.00 C ATOM 716 C ARG A 71 -6.188 -22.343 -37.475 1.00 0.00 C ATOM 717 O ARG A 71 -5.055 -21.865 -37.356 1.00 0.00 O ATOM 718 CB ARG A 71 -6.546 -24.585 -36.315 1.00 0.00 C ATOM 719 CG ARG A 71 -7.082 -25.347 -35.086 1.00 0.00 C ATOM 720 CD ARG A 71 -6.587 -26.798 -34.976 1.00 0.00 C ATOM 721 NE ARG A 71 -7.042 -27.660 -36.081 1.00 0.00 N ATOM 722 CZ ARG A 71 -7.644 -28.855 -35.940 1.00 0.00 C ATOM 723 NH1 ARG A 71 -8.035 -29.287 -34.748 1.00 0.00 N ATOM 724 NH2 ARG A 71 -7.885 -29.592 -37.008 1.00 0.00 N ATOM 0 H ARG A 71 -8.869 -23.654 -36.488 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.435 -22.638 -35.377 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.977 -25.019 -37.217 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.467 -24.726 -36.377 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.793 -24.807 -34.184 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.171 -25.349 -35.121 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.497 -26.801 -34.949 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.930 -27.220 -34.032 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.888 -27.323 -37.031 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.881 -28.711 -33.921 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.490 -30.196 -34.659 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.615 -29.255 -37.932 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.341 -30.499 -36.909 1.00 0.00 H new ATOM 738 N GLU A 72 -6.890 -22.271 -38.615 1.00 0.00 N ATOM 739 CA GLU A 72 -6.385 -21.581 -39.821 1.00 0.00 C ATOM 740 C GLU A 72 -6.687 -20.068 -39.762 1.00 0.00 C ATOM 741 O GLU A 72 -5.866 -19.250 -40.203 1.00 0.00 O ATOM 742 CB GLU A 72 -6.977 -22.217 -41.102 1.00 0.00 C ATOM 743 CG GLU A 72 -8.515 -22.247 -41.150 1.00 0.00 C ATOM 744 CD GLU A 72 -9.107 -22.851 -42.427 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.544 -23.829 -42.965 1.00 0.00 O ATOM 746 OE2 GLU A 72 -10.165 -22.375 -42.883 1.00 0.00 O ATOM 0 H GLU A 72 -7.815 -22.684 -38.732 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.302 -21.701 -39.852 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.610 -21.666 -41.968 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.604 -23.237 -41.191 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.880 -22.814 -40.294 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.888 -21.229 -41.040 1.00 0.00 H new ATOM 753 N ALA A 73 -7.863 -19.708 -39.202 1.00 0.00 N ATOM 754 CA ALA A 73 -8.292 -18.299 -39.059 1.00 0.00 C ATOM 755 C ALA A 73 -7.434 -17.568 -38.021 1.00 0.00 C ATOM 756 O ALA A 73 -7.124 -16.377 -38.177 1.00 0.00 O ATOM 757 CB ALA A 73 -9.773 -18.214 -38.664 1.00 0.00 C ATOM 0 H ALA A 73 -8.538 -20.381 -38.839 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.159 -17.815 -40.026 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.064 -17.168 -38.565 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.382 -18.689 -39.433 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.926 -18.724 -37.713 1.00 0.00 H new ATOM 763 N ILE A 74 -7.068 -18.296 -36.952 1.00 0.00 N ATOM 764 CA ILE A 74 -6.263 -17.763 -35.845 1.00 0.00 C ATOM 765 C ILE A 74 -4.985 -18.617 -35.704 1.00 0.00 C ATOM 766 O ILE A 74 -5.052 -19.721 -35.147 1.00 0.00 O ATOM 767 CB ILE A 74 -7.058 -17.781 -34.484 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.498 -17.210 -34.667 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.287 -17.020 -33.369 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.367 -17.278 -33.430 1.00 0.00 C ATOM 0 H ILE A 74 -7.325 -19.276 -36.833 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.012 -16.726 -36.070 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.150 -18.820 -34.168 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.424 -16.170 -34.986 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.991 -17.756 -35.471 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.862 -17.051 -32.443 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.317 -17.492 -33.210 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.141 -15.983 -33.671 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.349 -16.859 -33.651 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.477 -18.317 -33.120 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.902 -16.707 -32.627 1.00 0.00 H new ATOM 782 N PRO A 75 -3.814 -18.147 -36.241 1.00 0.00 N ATOM 783 CA PRO A 75 -2.516 -18.808 -36.003 1.00 0.00 C ATOM 784 C PRO A 75 -2.075 -18.618 -34.534 1.00 0.00 C ATOM 785 O PRO A 75 -1.353 -17.671 -34.195 1.00 0.00 O ATOM 786 CB PRO A 75 -1.564 -18.125 -37.022 1.00 0.00 C ATOM 787 CG PRO A 75 -2.178 -16.780 -37.281 1.00 0.00 C ATOM 788 CD PRO A 75 -3.677 -16.963 -37.132 1.00 0.00 C ATOM 0 HA PRO A 75 -2.536 -19.888 -36.145 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.556 -18.028 -36.618 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.485 -18.707 -37.940 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.804 -16.039 -36.574 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.927 -16.423 -38.280 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.144 -16.080 -36.696 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.155 -17.133 -38.097 1.00 0.00 H new ATOM 796 N GLY A 76 -2.569 -19.509 -33.669 1.00 0.00 N ATOM 797 CA GLY A 76 -2.375 -19.412 -32.221 1.00 0.00 C ATOM 798 C GLY A 76 -3.705 -19.364 -31.484 1.00 0.00 C ATOM 799 O GLY A 76 -3.845 -18.641 -30.486 1.00 0.00 O ATOM 0 H GLY A 76 -3.117 -20.320 -33.956 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.795 -20.266 -31.872 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.796 -18.518 -31.989 1.00 0.00 H new ATOM 803 N VAL A 77 -4.691 -20.138 -31.979 1.00 0.00 N ATOM 804 CA VAL A 77 -6.012 -20.246 -31.334 1.00 0.00 C ATOM 805 C VAL A 77 -5.885 -21.048 -30.032 1.00 0.00 C ATOM 806 O VAL A 77 -5.116 -22.008 -29.966 1.00 0.00 O ATOM 807 CB VAL A 77 -7.090 -20.902 -32.275 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.719 -22.348 -32.666 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.506 -20.841 -31.645 1.00 0.00 C ATOM 0 H VAL A 77 -4.596 -20.698 -32.826 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.355 -19.235 -31.116 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.105 -20.314 -33.193 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.492 -22.759 -33.315 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.765 -22.349 -33.192 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.638 -22.959 -31.767 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.225 -21.303 -32.321 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.505 -21.376 -30.696 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.784 -19.801 -31.475 1.00 0.00 H new ATOM 819 N ARG A 78 -6.619 -20.617 -28.999 1.00 0.00 N ATOM 820 CA ARG A 78 -6.646 -21.278 -27.681 1.00 0.00 C ATOM 821 C ARG A 78 -8.076 -21.331 -27.118 1.00 0.00 C ATOM 822 O ARG A 78 -8.303 -21.782 -25.992 1.00 0.00 O ATOM 823 CB ARG A 78 -5.606 -20.625 -26.704 1.00 0.00 C ATOM 824 CG ARG A 78 -5.201 -19.163 -27.011 1.00 0.00 C ATOM 825 CD ARG A 78 -6.302 -18.136 -26.734 1.00 0.00 C ATOM 826 NE ARG A 78 -6.520 -17.954 -25.288 1.00 0.00 N ATOM 827 CZ ARG A 78 -7.009 -16.851 -24.704 1.00 0.00 C ATOM 828 NH1 ARG A 78 -7.355 -15.797 -25.417 1.00 0.00 N ATOM 829 NH2 ARG A 78 -7.129 -16.806 -23.395 1.00 0.00 N ATOM 0 H ARG A 78 -7.217 -19.793 -29.051 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.335 -22.316 -27.800 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.015 -20.662 -25.694 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.704 -21.237 -26.705 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.324 -18.908 -26.416 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.908 -19.091 -28.058 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.032 -17.181 -27.185 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.230 -18.460 -27.205 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.278 -18.735 -24.679 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.252 -15.812 -26.432 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.725 -14.967 -24.954 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.851 -17.608 -22.829 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.500 -15.969 -22.945 1.00 0.00 H new ATOM 843 N LEU A 79 -9.050 -20.931 -27.950 1.00 0.00 N ATOM 844 CA LEU A 79 -10.476 -20.870 -27.578 1.00 0.00 C ATOM 845 C LEU A 79 -11.323 -21.582 -28.642 1.00 0.00 C ATOM 846 O LEU A 79 -11.178 -21.299 -29.838 1.00 0.00 O ATOM 847 CB LEU A 79 -10.924 -19.393 -27.468 1.00 0.00 C ATOM 848 CG LEU A 79 -10.118 -18.515 -26.479 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.421 -17.024 -26.680 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.367 -18.944 -25.028 1.00 0.00 C ATOM 0 H LEU A 79 -8.870 -20.637 -28.910 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.614 -21.364 -26.616 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.864 -18.940 -28.458 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.973 -19.372 -27.171 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.060 -18.665 -26.691 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.839 -16.436 -25.970 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.156 -16.733 -27.696 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.483 -16.843 -26.516 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.788 -18.310 -24.357 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.427 -18.845 -24.796 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.063 -19.983 -24.898 1.00 0.00 H new ATOM 862 N CYS A 80 -12.189 -22.525 -28.211 1.00 0.00 N ATOM 863 CA CYS A 80 -13.137 -23.218 -29.119 1.00 0.00 C ATOM 864 C CYS A 80 -14.164 -22.204 -29.610 1.00 0.00 C ATOM 865 O CYS A 80 -14.397 -21.232 -28.904 1.00 0.00 O ATOM 866 CB CYS A 80 -13.837 -24.395 -28.403 1.00 0.00 C ATOM 867 SG CYS A 80 -15.113 -23.894 -27.209 1.00 0.00 S ATOM 0 H CYS A 80 -12.253 -22.826 -27.239 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.589 -23.634 -29.964 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.292 -25.042 -29.153 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.084 -24.989 -27.884 1.00 0.00 H new ATOM 872 N ILE A 81 -14.813 -22.463 -30.764 1.00 0.00 N ATOM 873 CA ILE A 81 -15.676 -21.474 -31.469 1.00 0.00 C ATOM 874 C ILE A 81 -16.749 -20.821 -30.540 1.00 0.00 C ATOM 875 O ILE A 81 -17.128 -19.659 -30.730 1.00 0.00 O ATOM 876 CB ILE A 81 -16.356 -22.152 -32.724 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.244 -21.139 -33.526 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.155 -23.422 -32.321 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.963 -21.719 -34.735 1.00 0.00 C ATOM 0 H ILE A 81 -14.758 -23.364 -31.240 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.028 -20.661 -31.798 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.555 -22.469 -33.392 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.988 -20.718 -32.849 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.614 -20.314 -33.860 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.609 -23.863 -33.208 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.481 -24.145 -31.861 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.936 -23.150 -31.610 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.549 -20.938 -35.219 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.230 -22.113 -35.440 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.625 -22.523 -34.413 1.00 0.00 H new ATOM 891 N HIS A 82 -17.150 -21.560 -29.496 1.00 0.00 N ATOM 892 CA HIS A 82 -18.154 -21.122 -28.504 1.00 0.00 C ATOM 893 C HIS A 82 -17.549 -20.076 -27.524 1.00 0.00 C ATOM 894 O HIS A 82 -18.131 -19.010 -27.305 1.00 0.00 O ATOM 895 CB HIS A 82 -18.714 -22.354 -27.727 1.00 0.00 C ATOM 896 CG HIS A 82 -19.027 -23.547 -28.590 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.221 -23.721 -29.242 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.270 -24.625 -28.910 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.188 -24.848 -29.921 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.015 -25.421 -29.734 1.00 0.00 N ATOM 0 H HIS A 82 -16.783 -22.493 -29.310 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.977 -20.642 -29.034 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.989 -22.650 -26.969 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.620 -22.054 -27.201 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.262 -24.819 -28.575 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -20.989 -25.239 -30.531 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -18.714 -26.309 -30.137 1.00 0.00 H new ATOM 909 N CYS A 83 -16.360 -20.381 -26.954 1.00 0.00 N ATOM 910 CA CYS A 83 -15.635 -19.444 -26.061 1.00 0.00 C ATOM 911 C CYS A 83 -14.898 -18.368 -26.884 1.00 0.00 C ATOM 912 O CYS A 83 -14.484 -17.352 -26.334 1.00 0.00 O ATOM 913 CB CYS A 83 -14.608 -20.183 -25.170 1.00 0.00 C ATOM 914 SG CYS A 83 -15.255 -21.595 -24.224 1.00 0.00 S ATOM 0 H CYS A 83 -15.881 -21.270 -27.096 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.381 -18.974 -25.421 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.794 -20.536 -25.803 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.180 -19.466 -24.470 1.00 0.00 H new ATOM 919 N GLN A 84 -14.701 -18.615 -28.193 1.00 0.00 N ATOM 920 CA GLN A 84 -13.928 -17.708 -29.050 1.00 0.00 C ATOM 921 C GLN A 84 -14.806 -16.528 -29.477 1.00 0.00 C ATOM 922 O GLN A 84 -14.371 -15.396 -29.376 1.00 0.00 O ATOM 923 CB GLN A 84 -13.343 -18.450 -30.301 1.00 0.00 C ATOM 924 CG GLN A 84 -11.964 -17.943 -30.793 1.00 0.00 C ATOM 925 CD GLN A 84 -11.882 -16.427 -31.011 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.190 -15.926 -32.086 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.447 -15.689 -29.993 1.00 0.00 N ATOM 0 H GLN A 84 -15.068 -19.435 -28.676 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.081 -17.334 -28.475 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.258 -19.511 -30.065 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.056 -18.362 -31.120 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.205 -18.234 -30.067 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.720 -18.445 -31.729 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.198 -16.135 -29.110 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.363 -14.678 -30.096 1.00 0.00 H new ATOM 936 N GLN A 85 -16.047 -16.817 -29.920 1.00 0.00 N ATOM 937 CA GLN A 85 -16.963 -15.798 -30.494 1.00 0.00 C ATOM 938 C GLN A 85 -17.201 -14.614 -29.520 1.00 0.00 C ATOM 939 O GLN A 85 -17.247 -13.454 -29.945 1.00 0.00 O ATOM 940 CB GLN A 85 -18.310 -16.455 -30.913 1.00 0.00 C ATOM 941 CG GLN A 85 -19.101 -17.111 -29.759 1.00 0.00 C ATOM 942 CD GLN A 85 -20.362 -17.844 -30.223 1.00 0.00 C ATOM 943 OE1 GLN A 85 -20.211 -19.105 -30.593 1.00 0.00 O flip ATOM 944 NE2 GLN A 85 -21.454 -17.278 -30.269 1.00 0.00 N flip ATOM 0 H GLN A 85 -16.445 -17.756 -29.892 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.483 -15.387 -31.382 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.938 -15.696 -31.379 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -18.108 -17.211 -31.672 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.452 -17.815 -29.238 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.381 -16.343 -29.038 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -21.537 -16.304 -29.976 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -22.276 -17.783 -30.600 1.00 0.00 H new ATOM 953 N GLU A 86 -17.333 -14.931 -28.216 1.00 0.00 N ATOM 954 CA GLU A 86 -17.505 -13.919 -27.144 1.00 0.00 C ATOM 955 C GLU A 86 -16.209 -13.098 -26.918 1.00 0.00 C ATOM 956 O GLU A 86 -16.265 -11.873 -26.775 1.00 0.00 O ATOM 957 CB GLU A 86 -17.969 -14.591 -25.823 1.00 0.00 C ATOM 958 CG GLU A 86 -17.092 -15.770 -25.364 1.00 0.00 C ATOM 959 CD GLU A 86 -17.454 -16.327 -23.981 1.00 0.00 C ATOM 960 OE1 GLU A 86 -18.654 -16.554 -23.715 1.00 0.00 O ATOM 961 OE2 GLU A 86 -16.541 -16.538 -23.153 1.00 0.00 O ATOM 0 H GLU A 86 -17.324 -15.892 -27.873 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.280 -13.225 -27.469 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.986 -13.839 -25.034 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.993 -14.944 -25.950 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.170 -16.572 -26.097 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -16.050 -15.449 -25.352 1.00 0.00 H new ATOM 968 N LYS A 87 -15.044 -13.783 -26.914 1.00 0.00 N ATOM 969 CA LYS A 87 -13.727 -13.139 -26.690 1.00 0.00 C ATOM 970 C LYS A 87 -13.274 -12.361 -27.939 1.00 0.00 C ATOM 971 O LYS A 87 -12.440 -11.452 -27.856 1.00 0.00 O ATOM 972 CB LYS A 87 -12.668 -14.185 -26.274 1.00 0.00 C ATOM 973 CG LYS A 87 -13.004 -14.949 -24.971 1.00 0.00 C ATOM 974 CD LYS A 87 -13.223 -14.024 -23.751 1.00 0.00 C ATOM 975 CE LYS A 87 -13.543 -14.808 -22.467 1.00 0.00 C ATOM 976 NZ LYS A 87 -12.424 -15.704 -22.064 1.00 0.00 N ATOM 0 H LYS A 87 -14.988 -14.790 -27.065 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.835 -12.425 -25.873 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.549 -14.906 -27.083 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.708 -13.683 -26.150 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.902 -15.545 -25.130 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.195 -15.645 -24.749 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.329 -13.421 -23.591 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.039 -13.334 -23.964 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.755 -14.108 -21.659 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.445 -15.401 -22.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.742 -16.694 -22.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.624 -15.576 -22.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.123 -15.470 -21.097 1.00 0.00 H new ATOM 990 N ASP A 88 -13.830 -12.746 -29.088 1.00 0.00 N ATOM 991 CA ASP A 88 -13.558 -12.118 -30.388 1.00 0.00 C ATOM 992 C ASP A 88 -14.121 -10.681 -30.409 1.00 0.00 C ATOM 993 O ASP A 88 -13.562 -9.796 -31.061 1.00 0.00 O ATOM 994 CB ASP A 88 -14.181 -12.987 -31.514 1.00 0.00 C ATOM 995 CG ASP A 88 -13.892 -12.483 -32.941 1.00 0.00 C ATOM 996 OD1 ASP A 88 -12.836 -12.845 -33.517 1.00 0.00 O ATOM 997 OD2 ASP A 88 -14.723 -11.739 -33.502 1.00 0.00 O ATOM 0 H ASP A 88 -14.495 -13.517 -29.146 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.482 -12.055 -30.553 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.806 -14.006 -31.419 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.260 -13.029 -31.368 1.00 0.00 H new ATOM 1002 N LEU A 89 -15.222 -10.472 -29.657 1.00 0.00 N ATOM 1003 CA LEU A 89 -15.848 -9.143 -29.475 1.00 0.00 C ATOM 1004 C LEU A 89 -14.925 -8.222 -28.659 1.00 0.00 C ATOM 1005 O LEU A 89 -14.861 -7.016 -28.892 1.00 0.00 O ATOM 1006 CB LEU A 89 -17.204 -9.273 -28.723 1.00 0.00 C ATOM 1007 CG LEU A 89 -18.186 -10.365 -29.236 1.00 0.00 C ATOM 1008 CD1 LEU A 89 -19.498 -10.367 -28.420 1.00 0.00 C ATOM 1009 CD2 LEU A 89 -18.452 -10.225 -30.758 1.00 0.00 C ATOM 0 H LEU A 89 -15.703 -11.220 -29.158 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.016 -8.718 -30.465 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.993 -9.472 -27.672 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -17.712 -8.310 -28.769 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.709 -11.334 -29.085 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -20.163 -11.141 -28.803 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -19.274 -10.566 -27.372 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -19.983 -9.395 -28.509 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -19.142 -11.005 -31.080 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -18.888 -9.247 -30.963 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -17.513 -10.325 -31.302 1.00 0.00 H new ATOM 1021 N GLN A 90 -14.202 -8.839 -27.710 1.00 0.00 N ATOM 1022 CA GLN A 90 -13.414 -8.131 -26.682 1.00 0.00 C ATOM 1023 C GLN A 90 -12.106 -7.568 -27.268 1.00 0.00 C ATOM 1024 O GLN A 90 -11.428 -6.758 -26.628 1.00 0.00 O ATOM 1025 CB GLN A 90 -13.122 -9.092 -25.489 1.00 0.00 C ATOM 1026 CG GLN A 90 -14.354 -9.902 -25.023 1.00 0.00 C ATOM 1027 CD GLN A 90 -15.541 -9.048 -24.568 1.00 0.00 C ATOM 1028 OE1 GLN A 90 -15.376 -7.977 -23.983 1.00 0.00 O ATOM 1029 NE2 GLN A 90 -16.752 -9.498 -24.874 1.00 0.00 N ATOM 0 H GLN A 90 -14.146 -9.855 -27.632 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.997 -7.284 -26.320 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.332 -9.785 -25.778 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -12.744 -8.509 -24.649 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -14.679 -10.547 -25.839 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -14.055 -10.553 -24.202 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -16.857 -10.389 -25.359 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -17.577 -8.953 -24.624 1.00 0.00 H new ATOM 1038 N LYS A 91 -11.755 -8.032 -28.480 1.00 0.00 N ATOM 1039 CA LYS A 91 -10.606 -7.525 -29.231 1.00 0.00 C ATOM 1040 C LYS A 91 -10.986 -6.185 -29.902 1.00 0.00 C ATOM 1041 O LYS A 91 -11.962 -6.146 -30.655 1.00 0.00 O ATOM 1042 CB LYS A 91 -10.160 -8.553 -30.307 1.00 0.00 C ATOM 1043 CG LYS A 91 -9.790 -9.948 -29.754 1.00 0.00 C ATOM 1044 CD LYS A 91 -9.331 -10.938 -30.859 1.00 0.00 C ATOM 1045 CE LYS A 91 -10.366 -11.091 -31.993 1.00 0.00 C ATOM 1046 NZ LYS A 91 -10.004 -12.165 -32.948 1.00 0.00 N ATOM 0 H LYS A 91 -12.265 -8.771 -28.963 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.774 -7.367 -28.545 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.963 -8.667 -31.035 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.300 -8.149 -30.841 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.994 -9.841 -29.017 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.652 -10.367 -29.234 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.386 -10.593 -31.280 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.143 -11.914 -30.411 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.344 -11.306 -31.562 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.455 -10.146 -32.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.870 -12.601 -33.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.451 -11.762 -33.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.437 -12.887 -32.460 1.00 0.00 H new ATOM 1060 N PRO A 92 -10.221 -5.070 -29.659 1.00 0.00 N ATOM 1061 CA PRO A 92 -10.440 -3.775 -30.365 1.00 0.00 C ATOM 1062 C PRO A 92 -9.912 -3.787 -31.823 1.00 0.00 C ATOM 1063 O PRO A 92 -9.990 -2.769 -32.516 1.00 0.00 O ATOM 1064 CB PRO A 92 -9.663 -2.774 -29.472 1.00 0.00 C ATOM 1065 CG PRO A 92 -8.544 -3.580 -28.889 1.00 0.00 C ATOM 1066 CD PRO A 92 -9.106 -4.970 -28.665 1.00 0.00 C ATOM 0 HA PRO A 92 -11.495 -3.529 -30.482 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -9.285 -1.934 -30.054 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.302 -2.360 -28.692 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.690 -3.608 -29.565 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.195 -3.144 -27.953 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.351 -5.738 -28.832 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.468 -5.095 -27.644 1.00 0.00 H new ATOM 1074 N ALA A 93 -9.370 -4.960 -32.242 1.00 0.00 N ATOM 1075 CA ALA A 93 -8.770 -5.200 -33.578 1.00 0.00 C ATOM 1076 C ALA A 93 -7.442 -4.430 -33.757 1.00 0.00 C ATOM 1077 O ALA A 93 -6.898 -4.369 -34.860 1.00 0.00 O ATOM 1078 CB ALA A 93 -9.770 -4.908 -34.718 1.00 0.00 C ATOM 0 H ALA A 93 -9.338 -5.785 -31.643 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.529 -6.262 -33.636 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.291 -5.096 -35.679 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -10.640 -5.556 -34.613 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.085 -3.866 -34.667 1.00 0.00 H new ATOM 1084 N TYR A 94 -6.914 -3.875 -32.646 1.00 0.00 N ATOM 1085 CA TYR A 94 -5.623 -3.167 -32.624 1.00 0.00 C ATOM 1086 C TYR A 94 -4.964 -3.329 -31.249 1.00 0.00 C ATOM 1087 O TYR A 94 -5.603 -3.777 -30.291 1.00 0.00 O ATOM 1088 CB TYR A 94 -5.800 -1.653 -32.988 1.00 0.00 C ATOM 1089 CG TYR A 94 -6.496 -0.756 -31.924 1.00 0.00 C ATOM 1090 CD1 TYR A 94 -5.773 -0.174 -30.868 1.00 0.00 C ATOM 1091 CD2 TYR A 94 -7.866 -0.479 -31.985 1.00 0.00 C ATOM 1092 CE1 TYR A 94 -6.385 0.631 -29.926 1.00 0.00 C ATOM 1093 CE2 TYR A 94 -8.481 0.333 -31.042 1.00 0.00 C ATOM 1094 CZ TYR A 94 -7.734 0.885 -30.015 1.00 0.00 C ATOM 1095 OH TYR A 94 -8.339 1.701 -29.080 1.00 0.00 O ATOM 0 H TYR A 94 -7.375 -3.907 -31.737 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.972 -3.608 -33.379 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.815 -1.235 -33.194 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.373 -1.590 -33.913 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.712 -0.361 -30.791 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.457 -0.906 -32.782 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.805 1.060 -29.122 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.540 0.534 -31.109 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.294 1.781 -29.284 1.00 0.00 H new ATOM 1105 N THR A 95 -3.676 -2.982 -31.172 1.00 0.00 N ATOM 1106 CA THR A 95 -2.951 -2.813 -29.914 1.00 0.00 C ATOM 1107 C THR A 95 -2.219 -1.465 -29.967 1.00 0.00 C ATOM 1108 O THR A 95 -1.261 -1.300 -30.731 1.00 0.00 O ATOM 1109 CB THR A 95 -1.938 -3.985 -29.646 1.00 0.00 C ATOM 1110 OG1 THR A 95 -1.058 -4.157 -30.765 1.00 0.00 O ATOM 1111 CG2 THR A 95 -2.657 -5.317 -29.343 1.00 0.00 C ATOM 0 H THR A 95 -3.101 -2.808 -31.996 1.00 0.00 H new ATOM 0 HA THR A 95 -3.663 -2.833 -29.089 1.00 0.00 H new ATOM 0 HB THR A 95 -1.359 -3.708 -28.765 1.00 0.00 H new ATOM 0 HG1 THR A 95 -0.839 -3.281 -31.146 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.917 -6.097 -29.165 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.282 -5.200 -28.458 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.280 -5.595 -30.193 1.00 0.00 H new ATOM 1119 N GLY A 96 -2.696 -0.487 -29.169 1.00 0.00 N ATOM 1120 CA GLY A 96 -2.113 0.862 -29.124 1.00 0.00 C ATOM 1121 C GLY A 96 -0.872 0.954 -28.231 1.00 0.00 C ATOM 1122 O GLY A 96 -0.731 1.885 -27.425 1.00 0.00 O ATOM 0 H GLY A 96 -3.491 -0.613 -28.543 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.848 1.170 -30.135 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.865 1.564 -28.763 1.00 0.00 H new ATOM 1126 N TYR A 97 0.021 -0.035 -28.388 1.00 0.00 N ATOM 1127 CA TYR A 97 1.301 -0.136 -27.679 1.00 0.00 C ATOM 1128 C TYR A 97 2.253 -1.034 -28.480 1.00 0.00 C ATOM 1129 O TYR A 97 3.469 -0.811 -28.487 1.00 0.00 O ATOM 1130 CB TYR A 97 1.156 -0.661 -26.220 1.00 0.00 C ATOM 1131 CG TYR A 97 0.382 -1.979 -26.064 1.00 0.00 C ATOM 1132 CD1 TYR A 97 -0.989 -1.997 -26.253 1.00 0.00 C ATOM 1133 CD2 TYR A 97 1.011 -3.189 -25.729 1.00 0.00 C ATOM 1134 CE1 TYR A 97 -1.722 -3.153 -26.111 1.00 0.00 C ATOM 1135 CE2 TYR A 97 0.278 -4.356 -25.583 1.00 0.00 C ATOM 1136 CZ TYR A 97 -1.085 -4.338 -25.778 1.00 0.00 C ATOM 1137 OH TYR A 97 -1.808 -5.504 -25.634 1.00 0.00 O ATOM 0 H TYR A 97 -0.135 -0.810 -29.033 1.00 0.00 H new ATOM 0 HA TYR A 97 1.709 0.872 -27.598 1.00 0.00 H new ATOM 0 HB2 TYR A 97 2.153 -0.794 -25.800 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.658 0.105 -25.625 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.496 -1.081 -26.518 1.00 0.00 H new ATOM 0 HD2 TYR A 97 2.081 -3.210 -25.583 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -2.792 -3.137 -26.259 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.775 -5.277 -25.317 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.202 -6.238 -25.400 1.00 0.00 H new ATOM 1147 N ASN A 98 1.662 -2.058 -29.148 1.00 0.00 N ATOM 1148 CA ASN A 98 2.381 -3.102 -29.912 1.00 0.00 C ATOM 1149 C ASN A 98 3.237 -3.997 -28.994 1.00 0.00 C ATOM 1150 O ASN A 98 3.403 -3.713 -27.800 1.00 0.00 O ATOM 1151 CB ASN A 98 3.222 -2.508 -31.089 1.00 0.00 C ATOM 1152 CG ASN A 98 2.364 -1.827 -32.167 1.00 0.00 C ATOM 1153 OD1 ASN A 98 1.217 -2.208 -32.412 1.00 0.00 O ATOM 1154 ND2 ASN A 98 2.924 -0.825 -32.829 1.00 0.00 N ATOM 0 H ASN A 98 0.650 -2.180 -29.169 1.00 0.00 H new ATOM 0 HA ASN A 98 1.618 -3.736 -30.363 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.933 -1.784 -30.689 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.805 -3.306 -31.549 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.404 -0.346 -33.564 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.875 -0.533 -32.603 1.00 0.00 H new ATOM 1161 N ARG A 99 3.760 -5.103 -29.553 1.00 0.00 N ATOM 1162 CA ARG A 99 4.545 -6.101 -28.792 1.00 0.00 C ATOM 1163 C ARG A 99 5.647 -6.726 -29.664 1.00 0.00 C ATOM 1164 O ARG A 99 5.590 -6.693 -30.898 1.00 0.00 O ATOM 1165 CB ARG A 99 3.615 -7.222 -28.222 1.00 0.00 C ATOM 1166 CG ARG A 99 2.835 -6.843 -26.941 1.00 0.00 C ATOM 1167 CD ARG A 99 1.788 -7.907 -26.550 1.00 0.00 C ATOM 1168 NE ARG A 99 2.358 -9.269 -26.546 1.00 0.00 N ATOM 1169 CZ ARG A 99 1.819 -10.344 -27.154 1.00 0.00 C ATOM 1170 NH1 ARG A 99 0.628 -10.272 -27.736 1.00 0.00 N ATOM 1171 NH2 ARG A 99 2.474 -11.495 -27.165 1.00 0.00 N ATOM 0 H ARG A 99 3.653 -5.333 -30.541 1.00 0.00 H new ATOM 0 HA ARG A 99 5.019 -5.580 -27.960 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.899 -7.505 -28.994 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.222 -8.103 -28.011 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.537 -6.709 -26.118 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.336 -5.886 -27.093 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.390 -7.678 -25.562 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.952 -7.866 -27.248 1.00 0.00 H new ATOM 0 HE ARG A 99 3.233 -9.408 -26.041 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.108 -9.394 -27.727 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.233 -11.094 -28.192 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.386 -11.567 -26.713 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.067 -12.309 -27.625 1.00 0.00 H new ATOM 1185 N ARG A 100 6.660 -7.275 -28.986 1.00 0.00 N ATOM 1186 CA ARG A 100 7.739 -8.066 -29.610 1.00 0.00 C ATOM 1187 C ARG A 100 7.459 -9.575 -29.447 1.00 0.00 C ATOM 1188 O ARG A 100 8.046 -10.409 -30.147 1.00 0.00 O ATOM 1189 CB ARG A 100 9.097 -7.701 -28.953 1.00 0.00 C ATOM 1190 CG ARG A 100 9.470 -6.202 -29.050 1.00 0.00 C ATOM 1191 CD ARG A 100 9.615 -5.712 -30.499 1.00 0.00 C ATOM 1192 NE ARG A 100 10.697 -6.401 -31.221 1.00 0.00 N ATOM 1193 CZ ARG A 100 11.121 -6.097 -32.454 1.00 0.00 C ATOM 1194 NH1 ARG A 100 10.579 -5.101 -33.145 1.00 0.00 N ATOM 1195 NH2 ARG A 100 12.079 -6.818 -33.002 1.00 0.00 N ATOM 0 H ARG A 100 6.760 -7.184 -27.975 1.00 0.00 H new ATOM 0 HA ARG A 100 7.781 -7.835 -30.674 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.068 -7.989 -27.902 1.00 0.00 H new ATOM 0 HB3 ARG A 100 9.884 -8.290 -29.423 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.706 -5.610 -28.547 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.407 -6.031 -28.519 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.674 -5.866 -31.027 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.808 -4.639 -30.499 1.00 0.00 H new ATOM 0 HE ARG A 100 11.162 -7.173 -30.743 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.824 -4.550 -32.738 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.918 -4.887 -34.083 1.00 0.00 H new ATOM 0 HH21 ARG A 100 12.489 -7.598 -32.487 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.411 -6.596 -33.941 1.00 0.00 H new ATOM 1209 N GLY A 101 6.541 -9.889 -28.517 1.00 0.00 N ATOM 1210 CA GLY A 101 6.183 -11.265 -28.169 1.00 0.00 C ATOM 1211 C GLY A 101 5.972 -11.419 -26.670 1.00 0.00 C ATOM 1212 O GLY A 101 5.217 -12.298 -26.230 1.00 0.00 O ATOM 0 H GLY A 101 6.026 -9.187 -27.985 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.274 -11.551 -28.698 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.970 -11.943 -28.499 1.00 0.00 H new ATOM 1216 N SER A 102 6.659 -10.554 -25.893 1.00 0.00 N ATOM 1217 CA SER A 102 6.579 -10.519 -24.423 1.00 0.00 C ATOM 1218 C SER A 102 5.128 -10.290 -23.945 1.00 0.00 C ATOM 1219 O SER A 102 4.449 -9.363 -24.409 1.00 0.00 O ATOM 1220 CB SER A 102 7.503 -9.402 -23.878 1.00 0.00 C ATOM 1221 OG SER A 102 8.825 -9.526 -24.390 1.00 0.00 O ATOM 0 H SER A 102 7.292 -9.853 -26.278 1.00 0.00 H new ATOM 0 HA SER A 102 6.908 -11.484 -24.038 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.097 -8.427 -24.148 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.527 -9.447 -22.789 1.00 0.00 H new ATOM 0 HG SER A 102 9.384 -8.806 -24.030 1.00 0.00 H new ATOM 1227 N LYS A 103 4.667 -11.166 -23.039 1.00 0.00 N ATOM 1228 CA LYS A 103 3.310 -11.123 -22.467 1.00 0.00 C ATOM 1229 C LYS A 103 3.378 -10.866 -20.958 1.00 0.00 C ATOM 1230 O LYS A 103 4.397 -11.145 -20.310 1.00 0.00 O ATOM 1231 CB LYS A 103 2.571 -12.458 -22.746 1.00 0.00 C ATOM 1232 CG LYS A 103 2.394 -12.771 -24.247 1.00 0.00 C ATOM 1233 CD LYS A 103 1.755 -14.149 -24.517 1.00 0.00 C ATOM 1234 CE LYS A 103 2.623 -15.317 -24.019 1.00 0.00 C ATOM 1235 NZ LYS A 103 2.017 -16.630 -24.350 1.00 0.00 N ATOM 0 H LYS A 103 5.232 -11.934 -22.678 1.00 0.00 H new ATOM 0 HA LYS A 103 2.758 -10.309 -22.937 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.123 -13.273 -22.277 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.589 -12.425 -22.273 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.775 -11.997 -24.701 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.367 -12.728 -24.736 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.780 -14.194 -24.031 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.583 -14.261 -25.587 1.00 0.00 H new ATOM 0 HE2 LYS A 103 3.615 -15.250 -24.467 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.755 -15.238 -22.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.630 -17.394 -23.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.081 -16.703 -23.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.915 -16.715 -25.381 1.00 0.00 H new ATOM 1249 N ASP A 104 2.275 -10.344 -20.412 1.00 0.00 N ATOM 1250 CA ASP A 104 2.122 -10.082 -18.974 1.00 0.00 C ATOM 1251 C ASP A 104 0.677 -10.387 -18.553 1.00 0.00 C ATOM 1252 O ASP A 104 -0.232 -10.370 -19.398 1.00 0.00 O ATOM 1253 CB ASP A 104 2.493 -8.607 -18.654 1.00 0.00 C ATOM 1254 CG ASP A 104 2.622 -8.337 -17.145 1.00 0.00 C ATOM 1255 OD1 ASP A 104 3.683 -8.671 -16.573 1.00 0.00 O ATOM 1256 OD2 ASP A 104 1.673 -7.803 -16.529 1.00 0.00 O ATOM 0 H ASP A 104 1.454 -10.088 -20.960 1.00 0.00 H new ATOM 0 HA ASP A 104 2.797 -10.727 -18.412 1.00 0.00 H new ATOM 0 HB2 ASP A 104 3.435 -8.360 -19.144 1.00 0.00 H new ATOM 0 HB3 ASP A 104 1.733 -7.947 -19.073 1.00 0.00 H new ATOM 1261 N SER A 105 0.467 -10.664 -17.255 1.00 0.00 N ATOM 1262 CA SER A 105 -0.856 -11.051 -16.721 1.00 0.00 C ATOM 1263 C SER A 105 -1.032 -10.590 -15.251 1.00 0.00 C ATOM 1264 O SER A 105 -2.083 -10.841 -14.643 1.00 0.00 O ATOM 1265 CB SER A 105 -1.022 -12.595 -16.849 1.00 0.00 C ATOM 1266 OG SER A 105 -2.343 -13.028 -16.539 1.00 0.00 O ATOM 0 H SER A 105 1.202 -10.627 -16.548 1.00 0.00 H new ATOM 0 HA SER A 105 -1.633 -10.554 -17.302 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.771 -12.901 -17.865 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.315 -13.090 -16.183 1.00 0.00 H new ATOM 0 HG SER A 105 -2.739 -12.423 -15.878 1.00 0.00 H new ATOM 1272 N GLN A 106 -0.016 -9.889 -14.695 1.00 0.00 N ATOM 1273 CA GLN A 106 0.008 -9.503 -13.271 1.00 0.00 C ATOM 1274 C GLN A 106 0.833 -8.218 -13.076 1.00 0.00 C ATOM 1275 O GLN A 106 1.913 -8.069 -13.646 1.00 0.00 O ATOM 1276 CB GLN A 106 0.566 -10.661 -12.375 1.00 0.00 C ATOM 1277 CG GLN A 106 2.024 -11.118 -12.653 1.00 0.00 C ATOM 1278 CD GLN A 106 2.227 -11.861 -13.983 1.00 0.00 C ATOM 1279 OE1 GLN A 106 2.518 -11.260 -15.022 1.00 0.00 O ATOM 1280 NE2 GLN A 106 2.059 -13.175 -13.961 1.00 0.00 N ATOM 0 H GLN A 106 0.802 -9.579 -15.219 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.018 -9.309 -12.959 1.00 0.00 H new ATOM 0 HB2 GLN A 106 0.501 -10.347 -11.333 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -0.089 -11.525 -12.489 1.00 0.00 H new ATOM 0 HG2 GLN A 106 2.672 -10.242 -12.640 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.348 -11.766 -11.839 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.819 -13.644 -13.088 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.170 -13.718 -14.817 1.00 0.00 H new ATOM 1289 N LEU A 107 0.307 -7.305 -12.243 1.00 0.00 N ATOM 1290 CA LEU A 107 0.919 -5.992 -11.960 1.00 0.00 C ATOM 1291 C LEU A 107 1.015 -5.787 -10.430 1.00 0.00 C ATOM 1292 O LEU A 107 0.881 -4.669 -9.910 1.00 0.00 O ATOM 1293 CB LEU A 107 0.117 -4.836 -12.664 1.00 0.00 C ATOM 1294 CG LEU A 107 -1.389 -4.618 -12.257 1.00 0.00 C ATOM 1295 CD1 LEU A 107 -1.893 -3.236 -12.727 1.00 0.00 C ATOM 1296 CD2 LEU A 107 -2.315 -5.734 -12.796 1.00 0.00 C ATOM 0 H LEU A 107 -0.567 -7.458 -11.740 1.00 0.00 H new ATOM 0 HA LEU A 107 1.929 -5.966 -12.370 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.649 -3.903 -12.481 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.149 -5.016 -13.739 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.426 -4.660 -11.168 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.935 -3.110 -12.434 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.290 -2.453 -12.268 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.810 -3.168 -13.812 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.341 -5.536 -12.487 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.261 -5.757 -13.884 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.995 -6.696 -12.397 1.00 0.00 H new ATOM 1308 N ARG A 108 1.300 -6.896 -9.724 1.00 0.00 N ATOM 1309 CA ARG A 108 1.404 -6.926 -8.251 1.00 0.00 C ATOM 1310 C ARG A 108 2.839 -6.521 -7.831 1.00 0.00 C ATOM 1311 O ARG A 108 3.759 -7.367 -7.939 1.00 0.00 O ATOM 1312 CB ARG A 108 1.059 -8.348 -7.732 1.00 0.00 C ATOM 1313 CG ARG A 108 -0.263 -8.933 -8.264 1.00 0.00 C ATOM 1314 CD ARG A 108 -0.386 -10.431 -7.949 1.00 0.00 C ATOM 1315 NE ARG A 108 0.781 -11.181 -8.450 1.00 0.00 N ATOM 1316 CZ ARG A 108 1.121 -12.419 -8.089 1.00 0.00 C ATOM 1317 NH1 ARG A 108 0.355 -13.138 -7.275 1.00 0.00 N ATOM 1318 NH2 ARG A 108 2.230 -12.942 -8.573 1.00 0.00 N ATOM 1319 OXT ARG A 108 3.051 -5.357 -7.429 1.00 0.00 O ATOM 0 H ARG A 108 1.466 -7.803 -10.161 1.00 0.00 H new ATOM 0 HA ARG A 108 0.698 -6.220 -7.814 1.00 0.00 H new ATOM 0 HB2 ARG A 108 1.872 -9.023 -8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 108 1.014 -8.320 -6.643 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.103 -8.397 -7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.321 -8.781 -9.342 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -0.477 -10.572 -6.872 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -1.296 -10.826 -8.400 1.00 0.00 H new ATOM 0 HE ARG A 108 1.379 -10.713 -9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -0.514 -12.745 -6.913 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.636 -14.083 -7.013 1.00 0.00 H new ATOM 0 HH21 ARG A 108 2.812 -12.401 -9.212 1.00 0.00 H new ATOM 0 HH22 ARG A 108 2.506 -13.888 -8.308 1.00 0.00 H new TER 1333 ARG A 108 HETATM 1334 ZN ZN A 109 -14.449 -23.650 -24.970 1.00 0.00 ZN