USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 662 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+ 178:sc= 1.53 (180deg=0.596) USER MOD Set 1.2: A 62 SER OG : rot 77:sc= 2.05 USER MOD Set 2.1: A 48 CYS SG : rot -62:sc= 0.76 USER MOD Set 2.2: A 54 SER OG : rot 112:sc= 1.25 USER MOD Set 2.3: A 71 ASN : amide:sc= 1.04 K(o=3.1,f=-1.5!) USER MOD Single : A 1 ALA N :NH3+ 172:sc= 1.19 (180deg=1.14) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0.375 K(o=0.38,f=-5.3!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0591 X(o=-0.059,f=-0.059) USER MOD Single : A 15 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.253 K(o=0.25,f=-2.4!) USER MOD Single : A 19 GLN : amide:sc= 0.321 X(o=0.32,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.65 K(o=1.6,f=-0.79) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 1.29 (180deg=1.15) USER MOD Single : A 35 THR OG1 : rot 27:sc= 0.719 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0.758 (180deg=0.743) USER MOD Single : A 41 ASN : amide:sc= -0.0685 X(o=-0.069,f=-0.069) USER MOD Single : A 43 THR OG1 : rot 93:sc= 1.21 USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.19) USER MOD Single : A 47 TYR OH : rot 165:sc= 0.327 USER MOD Single : A 49 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.084) USER MOD Single : A 53 GLN : amide:sc= 0.667 K(o=0.67,f=-3.4!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 64 MET CE :methyl 163:sc= -0.0595 (180deg=-0.828) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 52:sc= -0.336 USER MOD Single : A 68 HIS : no HE2:sc= 1.03 K(o=1,f=-3.1!) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= 0.778 (180deg=0.596) USER MOD Single : A 80 MET CE :methyl 177:sc= 0 (180deg=-0.0087) USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= 1.63 (180deg=1.58) USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= 1.23 (180deg=0.753) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.847 1.022 -0.465 1.00 0.00 N ATOM 2 CA ALA A 1 0.013 0.576 -1.579 1.00 0.00 C ATOM 3 C ALA A 1 0.412 1.784 -2.439 1.00 0.00 C ATOM 4 O ALA A 1 0.257 2.938 -2.020 1.00 0.00 O ATOM 5 CB ALA A 1 -0.666 -0.547 -2.390 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.226 0.192 0.035 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.288 1.599 0.196 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.634 1.589 -0.840 1.00 0.00 H new ATOM 0 HA ALA A 1 0.930 0.142 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.010 -0.856 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.862 -1.399 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.607 -0.181 -2.801 1.00 0.00 H new ATOM 13 N GLU A 2 0.986 1.540 -3.620 1.00 0.00 N ATOM 14 CA GLU A 2 1.458 2.567 -4.540 1.00 0.00 C ATOM 15 C GLU A 2 1.179 2.111 -5.974 1.00 0.00 C ATOM 16 O GLU A 2 1.172 0.909 -6.259 1.00 0.00 O ATOM 17 CB GLU A 2 2.975 2.787 -4.370 1.00 0.00 C ATOM 18 CG GLU A 2 3.411 3.300 -2.990 1.00 0.00 C ATOM 19 CD GLU A 2 4.941 3.402 -2.889 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.501 4.464 -3.240 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.590 2.437 -2.422 1.00 0.00 O ATOM 0 H GLU A 2 1.138 0.593 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 2 0.939 3.502 -4.328 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.487 1.845 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.310 3.497 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.966 4.278 -2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.037 2.630 -2.216 1.00 0.00 H new ATOM 28 N HIS A 3 1.017 3.079 -6.875 1.00 0.00 N ATOM 29 CA HIS A 3 0.964 2.906 -8.319 1.00 0.00 C ATOM 30 C HIS A 3 1.716 4.083 -8.935 1.00 0.00 C ATOM 31 O HIS A 3 1.748 5.174 -8.355 1.00 0.00 O ATOM 32 CB HIS A 3 -0.490 2.905 -8.817 1.00 0.00 C ATOM 33 CG HIS A 3 -1.267 1.659 -8.474 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.225 0.457 -9.146 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.187 1.526 -7.469 1.00 0.00 C ATOM 36 CE1 HIS A 3 -2.095 -0.380 -8.556 1.00 0.00 C ATOM 37 NE2 HIS A 3 -2.712 0.226 -7.524 1.00 0.00 N ATOM 0 H HIS A 3 0.914 4.055 -6.599 1.00 0.00 H new ATOM 0 HA HIS A 3 1.411 1.953 -8.603 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.006 3.767 -8.395 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.490 3.032 -9.900 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.461 2.290 -6.757 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.275 -1.399 -8.867 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.417 -0.178 -6.908 1.00 0.00 H new ATOM 45 N TRP A 4 2.265 3.886 -10.131 1.00 0.00 N ATOM 46 CA TRP A 4 2.982 4.909 -10.876 1.00 0.00 C ATOM 47 C TRP A 4 2.303 5.055 -12.226 1.00 0.00 C ATOM 48 O TRP A 4 1.739 4.089 -12.742 1.00 0.00 O ATOM 49 CB TRP A 4 4.453 4.519 -11.043 1.00 0.00 C ATOM 50 CG TRP A 4 5.244 4.465 -9.771 1.00 0.00 C ATOM 51 CD1 TRP A 4 6.059 5.442 -9.318 1.00 0.00 C ATOM 52 CD2 TRP A 4 5.295 3.408 -8.762 1.00 0.00 C ATOM 53 NE1 TRP A 4 6.595 5.079 -8.101 1.00 0.00 N ATOM 54 CE2 TRP A 4 6.146 3.839 -7.699 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.705 2.131 -8.632 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.384 3.050 -6.562 1.00 0.00 C ATOM 57 CZ3 TRP A 4 4.935 1.333 -7.495 1.00 0.00 C ATOM 58 CH2 TRP A 4 5.772 1.790 -6.461 1.00 0.00 C ATOM 0 H TRP A 4 2.221 2.990 -10.617 1.00 0.00 H new ATOM 0 HA TRP A 4 2.959 5.858 -10.341 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.502 3.542 -11.525 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.927 5.231 -11.718 1.00 0.00 H new ATOM 0 HD1 TRP A 4 6.261 6.370 -9.833 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.243 5.656 -7.565 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.066 1.760 -9.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.030 3.408 -5.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 4.466 0.364 -7.416 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.944 1.173 -5.591 1.00 0.00 H new ATOM 69 N ILE A 5 2.355 6.249 -12.810 1.00 0.00 N ATOM 70 CA ILE A 5 1.612 6.563 -14.019 1.00 0.00 C ATOM 71 C ILE A 5 2.531 7.411 -14.895 1.00 0.00 C ATOM 72 O ILE A 5 3.029 8.449 -14.453 1.00 0.00 O ATOM 73 CB ILE A 5 0.304 7.324 -13.688 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.523 6.829 -12.474 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.584 7.369 -14.938 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.282 5.506 -12.651 1.00 0.00 C ATOM 0 H ILE A 5 2.915 7.024 -12.455 1.00 0.00 H new ATOM 0 HA ILE A 5 1.317 5.651 -14.537 1.00 0.00 H new ATOM 0 HB ILE A 5 0.643 8.312 -13.378 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.150 6.724 -11.623 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.245 7.604 -12.215 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.506 7.904 -14.710 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.056 7.883 -15.741 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.822 6.353 -15.252 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.820 5.270 -11.733 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.991 5.601 -13.473 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.574 4.707 -12.872 1.00 0.00 H new ATOM 88 N ASP A 6 2.764 6.960 -16.123 1.00 0.00 N ATOM 89 CA ASP A 6 3.383 7.777 -17.154 1.00 0.00 C ATOM 90 C ASP A 6 2.256 8.639 -17.701 1.00 0.00 C ATOM 91 O ASP A 6 1.339 8.117 -18.338 1.00 0.00 O ATOM 92 CB ASP A 6 3.957 6.906 -18.276 1.00 0.00 C ATOM 93 CG ASP A 6 4.181 7.696 -19.578 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.370 8.932 -19.542 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.149 7.048 -20.646 1.00 0.00 O ATOM 0 H ASP A 6 2.528 6.016 -16.429 1.00 0.00 H new ATOM 0 HA ASP A 6 4.209 8.365 -16.755 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.903 6.475 -17.949 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.278 6.076 -18.471 1.00 0.00 H new ATOM 100 N VAL A 7 2.304 9.941 -17.443 1.00 0.00 N ATOM 101 CA VAL A 7 1.245 10.861 -17.858 1.00 0.00 C ATOM 102 C VAL A 7 1.635 11.691 -19.085 1.00 0.00 C ATOM 103 O VAL A 7 1.031 12.733 -19.343 1.00 0.00 O ATOM 104 CB VAL A 7 0.714 11.680 -16.667 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.128 10.776 -15.574 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.805 12.551 -16.040 1.00 0.00 C ATOM 0 H VAL A 7 3.072 10.389 -16.943 1.00 0.00 H new ATOM 0 HA VAL A 7 0.398 10.266 -18.200 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.070 12.320 -17.071 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.236 11.390 -14.750 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.697 10.195 -15.986 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.901 10.100 -15.208 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.387 13.112 -15.204 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.616 11.917 -15.683 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.190 13.246 -16.787 1.00 0.00 H new ATOM 116 N ARG A 8 2.616 11.247 -19.874 1.00 0.00 N ATOM 117 CA ARG A 8 3.005 11.914 -21.113 1.00 0.00 C ATOM 118 C ARG A 8 2.529 11.091 -22.310 1.00 0.00 C ATOM 119 O ARG A 8 1.813 10.098 -22.161 1.00 0.00 O ATOM 120 CB ARG A 8 4.526 12.140 -21.118 1.00 0.00 C ATOM 121 CG ARG A 8 4.891 13.474 -21.790 1.00 0.00 C ATOM 122 CD ARG A 8 6.403 13.631 -21.945 1.00 0.00 C ATOM 123 NE ARG A 8 6.716 14.776 -22.816 1.00 0.00 N ATOM 124 CZ ARG A 8 7.188 14.731 -24.071 1.00 0.00 C ATOM 125 NH1 ARG A 8 7.507 13.574 -24.645 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.341 15.857 -24.756 1.00 0.00 N ATOM 0 H ARG A 8 3.163 10.411 -19.668 1.00 0.00 H new ATOM 0 HA ARG A 8 2.531 12.893 -21.185 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.900 12.132 -20.094 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.016 11.320 -21.643 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.417 13.530 -22.770 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.498 14.300 -21.197 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.862 13.775 -20.967 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.828 12.720 -22.366 1.00 0.00 H new ATOM 0 HE ARG A 8 6.557 15.704 -22.423 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.394 12.701 -24.130 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.864 13.560 -25.600 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.100 16.751 -24.328 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.699 15.829 -25.711 1.00 0.00 H new ATOM 140 N VAL A 9 2.893 11.528 -23.512 1.00 0.00 N ATOM 141 CA VAL A 9 2.594 10.812 -24.745 1.00 0.00 C ATOM 142 C VAL A 9 3.418 9.510 -24.808 1.00 0.00 C ATOM 143 O VAL A 9 4.497 9.445 -24.210 1.00 0.00 O ATOM 144 CB VAL A 9 2.863 11.729 -25.959 1.00 0.00 C ATOM 145 CG1 VAL A 9 1.738 12.763 -26.107 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.211 12.470 -25.875 1.00 0.00 C ATOM 0 H VAL A 9 3.408 12.396 -23.657 1.00 0.00 H new ATOM 0 HA VAL A 9 1.540 10.534 -24.768 1.00 0.00 H new ATOM 0 HB VAL A 9 2.900 11.073 -26.829 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.942 13.402 -26.966 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.788 12.249 -26.254 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.684 13.374 -25.206 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.338 13.096 -26.758 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.228 13.094 -24.982 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.023 11.744 -25.826 1.00 0.00 H new ATOM 156 N PRO A 10 2.976 8.497 -25.581 1.00 0.00 N ATOM 157 CA PRO A 10 3.733 7.272 -25.840 1.00 0.00 C ATOM 158 C PRO A 10 5.157 7.469 -26.378 1.00 0.00 C ATOM 159 O PRO A 10 5.931 6.517 -26.351 1.00 0.00 O ATOM 160 CB PRO A 10 2.896 6.464 -26.837 1.00 0.00 C ATOM 161 CG PRO A 10 1.471 6.930 -26.559 1.00 0.00 C ATOM 162 CD PRO A 10 1.657 8.401 -26.197 1.00 0.00 C ATOM 0 HA PRO A 10 3.890 6.766 -24.888 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.191 6.666 -27.867 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.006 5.391 -26.678 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.828 6.807 -27.431 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.014 6.368 -25.744 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.593 9.033 -27.083 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.880 8.736 -25.510 1.00 0.00 H new ATOM 170 N GLU A 11 5.526 8.668 -26.846 1.00 0.00 N ATOM 171 CA GLU A 11 6.864 9.006 -27.332 1.00 0.00 C ATOM 172 C GLU A 11 7.961 8.561 -26.356 1.00 0.00 C ATOM 173 O GLU A 11 9.011 8.091 -26.798 1.00 0.00 O ATOM 174 CB GLU A 11 6.916 10.527 -27.562 1.00 0.00 C ATOM 175 CG GLU A 11 8.231 11.034 -28.170 1.00 0.00 C ATOM 176 CD GLU A 11 8.220 12.566 -28.315 1.00 0.00 C ATOM 177 OE1 GLU A 11 8.283 13.274 -27.282 1.00 0.00 O ATOM 178 OE2 GLU A 11 8.163 13.073 -29.459 1.00 0.00 O ATOM 0 H GLU A 11 4.878 9.454 -26.897 1.00 0.00 H new ATOM 0 HA GLU A 11 7.053 8.474 -28.264 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.094 10.811 -28.219 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.752 11.032 -26.610 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.067 10.731 -27.540 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.385 10.574 -29.146 1.00 0.00 H new ATOM 185 N GLN A 12 7.726 8.679 -25.041 1.00 0.00 N ATOM 186 CA GLN A 12 8.656 8.142 -24.050 1.00 0.00 C ATOM 187 C GLN A 12 8.439 6.635 -23.879 1.00 0.00 C ATOM 188 O GLN A 12 9.399 5.875 -23.967 1.00 0.00 O ATOM 189 CB GLN A 12 8.588 8.905 -22.712 1.00 0.00 C ATOM 190 CG GLN A 12 7.194 9.106 -22.095 1.00 0.00 C ATOM 191 CD GLN A 12 7.310 9.628 -20.664 1.00 0.00 C ATOM 192 OE1 GLN A 12 7.347 10.834 -20.432 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.424 8.742 -19.686 1.00 0.00 N ATOM 0 H GLN A 12 6.905 9.138 -24.646 1.00 0.00 H new ATOM 0 HA GLN A 12 9.670 8.291 -24.421 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.206 8.375 -21.988 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.039 9.887 -22.858 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.621 9.809 -22.699 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.648 8.162 -22.101 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.391 7.744 -19.895 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.545 9.057 -18.724 1.00 0.00 H new ATOM 202 N TYR A 13 7.191 6.188 -23.702 1.00 0.00 N ATOM 203 CA TYR A 13 6.855 4.806 -23.358 1.00 0.00 C ATOM 204 C TYR A 13 7.433 3.806 -24.366 1.00 0.00 C ATOM 205 O TYR A 13 7.943 2.753 -23.983 1.00 0.00 O ATOM 206 CB TYR A 13 5.326 4.678 -23.255 1.00 0.00 C ATOM 207 CG TYR A 13 4.830 3.479 -22.465 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.572 2.254 -23.108 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.592 3.604 -21.082 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.078 1.160 -22.373 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.102 2.516 -20.339 1.00 0.00 C ATOM 212 CZ TYR A 13 3.844 1.284 -20.984 1.00 0.00 C ATOM 213 OH TYR A 13 3.362 0.218 -20.283 1.00 0.00 O ATOM 0 H TYR A 13 6.372 6.789 -23.796 1.00 0.00 H new ATOM 0 HA TYR A 13 7.307 4.563 -22.396 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.932 5.584 -22.796 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.913 4.626 -24.262 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.753 2.153 -24.168 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.788 4.544 -20.588 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.877 0.223 -22.871 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.923 2.620 -19.279 1.00 0.00 H new ATOM 0 HH TYR A 13 3.257 0.466 -19.341 1.00 0.00 H new ATOM 223 N GLN A 14 7.406 4.160 -25.654 1.00 0.00 N ATOM 224 CA GLN A 14 7.913 3.355 -26.759 1.00 0.00 C ATOM 225 C GLN A 14 9.438 3.145 -26.721 1.00 0.00 C ATOM 226 O GLN A 14 9.942 2.351 -27.516 1.00 0.00 O ATOM 227 CB GLN A 14 7.486 4.012 -28.087 1.00 0.00 C ATOM 228 CG GLN A 14 5.976 3.895 -28.368 1.00 0.00 C ATOM 229 CD GLN A 14 5.519 2.448 -28.574 1.00 0.00 C ATOM 230 OE1 GLN A 14 6.006 1.739 -29.452 1.00 0.00 O ATOM 231 NE2 GLN A 14 4.580 1.969 -27.772 1.00 0.00 N ATOM 0 H GLN A 14 7.015 5.050 -25.963 1.00 0.00 H new ATOM 0 HA GLN A 14 7.480 2.359 -26.666 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.764 5.066 -28.069 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.038 3.551 -28.906 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.422 4.331 -27.537 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.730 4.478 -29.255 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.179 2.562 -27.045 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.258 1.007 -27.881 1.00 0.00 H new ATOM 240 N GLN A 15 10.177 3.812 -25.824 1.00 0.00 N ATOM 241 CA GLN A 15 11.628 3.678 -25.708 1.00 0.00 C ATOM 242 C GLN A 15 12.082 3.421 -24.269 1.00 0.00 C ATOM 243 O GLN A 15 13.079 2.723 -24.094 1.00 0.00 O ATOM 244 CB GLN A 15 12.347 4.869 -26.373 1.00 0.00 C ATOM 245 CG GLN A 15 11.930 6.250 -25.842 1.00 0.00 C ATOM 246 CD GLN A 15 12.615 7.396 -26.588 1.00 0.00 C ATOM 247 OE1 GLN A 15 13.838 7.467 -26.681 1.00 0.00 O ATOM 248 NE2 GLN A 15 11.844 8.320 -27.140 1.00 0.00 N ATOM 0 H GLN A 15 9.775 4.466 -25.153 1.00 0.00 H new ATOM 0 HA GLN A 15 11.923 2.785 -26.259 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.422 4.751 -26.234 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.159 4.836 -27.446 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.849 6.358 -25.930 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.171 6.316 -24.781 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.829 8.253 -27.058 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.265 9.099 -27.647 1.00 0.00 H new ATOM 257 N GLU A 16 11.370 3.902 -23.247 1.00 0.00 N ATOM 258 CA GLU A 16 11.545 3.494 -21.854 1.00 0.00 C ATOM 259 C GLU A 16 10.355 4.007 -21.036 1.00 0.00 C ATOM 260 O GLU A 16 9.874 5.122 -21.243 1.00 0.00 O ATOM 261 CB GLU A 16 12.882 3.969 -21.238 1.00 0.00 C ATOM 262 CG GLU A 16 13.053 5.496 -21.179 1.00 0.00 C ATOM 263 CD GLU A 16 14.510 5.896 -20.882 1.00 0.00 C ATOM 264 OE1 GLU A 16 14.885 6.015 -19.695 1.00 0.00 O ATOM 265 OE2 GLU A 16 15.291 6.114 -21.837 1.00 0.00 O ATOM 0 H GLU A 16 10.639 4.603 -23.370 1.00 0.00 H new ATOM 0 HA GLU A 16 11.583 2.405 -21.829 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.964 3.568 -20.228 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.704 3.547 -21.816 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.742 5.934 -22.128 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.399 5.906 -20.409 1.00 0.00 H new ATOM 272 N HIS A 17 9.908 3.217 -20.066 1.00 0.00 N ATOM 273 CA HIS A 17 8.947 3.623 -19.057 1.00 0.00 C ATOM 274 C HIS A 17 9.323 2.953 -17.746 1.00 0.00 C ATOM 275 O HIS A 17 9.928 1.880 -17.751 1.00 0.00 O ATOM 276 CB HIS A 17 7.517 3.249 -19.469 1.00 0.00 C ATOM 277 CG HIS A 17 7.259 1.766 -19.589 1.00 0.00 C ATOM 278 ND1 HIS A 17 6.872 0.918 -18.573 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.333 1.017 -20.734 1.00 0.00 C ATOM 280 CE1 HIS A 17 6.716 -0.308 -19.098 1.00 0.00 C ATOM 281 NE2 HIS A 17 6.996 -0.306 -20.415 1.00 0.00 N ATOM 0 H HIS A 17 10.215 2.250 -19.960 1.00 0.00 H new ATOM 0 HA HIS A 17 8.972 4.707 -18.944 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.823 3.666 -18.739 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.295 3.721 -20.426 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.730 1.176 -17.597 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.604 1.383 -21.713 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.407 -1.179 -18.539 1.00 0.00 H new ATOM 289 N VAL A 18 8.951 3.574 -16.630 1.00 0.00 N ATOM 290 CA VAL A 18 9.103 3.007 -15.297 1.00 0.00 C ATOM 291 C VAL A 18 8.396 1.646 -15.288 1.00 0.00 C ATOM 292 O VAL A 18 7.261 1.528 -15.761 1.00 0.00 O ATOM 293 CB VAL A 18 8.560 4.040 -14.285 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.352 3.468 -12.876 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.520 5.240 -14.202 1.00 0.00 C ATOM 0 H VAL A 18 8.528 4.502 -16.629 1.00 0.00 H new ATOM 0 HA VAL A 18 10.137 2.815 -15.010 1.00 0.00 H new ATOM 0 HB VAL A 18 7.581 4.345 -14.654 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.969 4.249 -12.219 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.636 2.647 -12.919 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.302 3.101 -12.488 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.133 5.966 -13.487 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.503 4.898 -13.877 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.605 5.707 -15.183 1.00 0.00 H new ATOM 305 N GLN A 19 9.075 0.610 -14.781 1.00 0.00 N ATOM 306 CA GLN A 19 8.592 -0.769 -14.829 1.00 0.00 C ATOM 307 C GLN A 19 7.235 -0.914 -14.134 1.00 0.00 C ATOM 308 O GLN A 19 6.406 -1.718 -14.562 1.00 0.00 O ATOM 309 CB GLN A 19 9.668 -1.694 -14.222 1.00 0.00 C ATOM 310 CG GLN A 19 9.350 -3.200 -14.297 1.00 0.00 C ATOM 311 CD GLN A 19 8.755 -3.763 -13.002 1.00 0.00 C ATOM 312 OE1 GLN A 19 9.473 -4.234 -12.123 1.00 0.00 O ATOM 313 NE2 GLN A 19 7.441 -3.735 -12.846 1.00 0.00 N ATOM 0 H GLN A 19 9.981 0.709 -14.323 1.00 0.00 H new ATOM 0 HA GLN A 19 8.425 -1.063 -15.865 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.613 -1.512 -14.734 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.813 -1.420 -13.177 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.652 -3.376 -15.115 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.263 -3.745 -14.535 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.849 -3.343 -13.578 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.021 -4.105 -11.994 1.00 0.00 H new ATOM 322 N GLY A 20 7.002 -0.135 -13.077 1.00 0.00 N ATOM 323 CA GLY A 20 5.772 -0.160 -12.295 1.00 0.00 C ATOM 324 C GLY A 20 4.722 0.833 -12.798 1.00 0.00 C ATOM 325 O GLY A 20 3.765 1.091 -12.067 1.00 0.00 O ATOM 0 H GLY A 20 7.681 0.545 -12.736 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.353 -1.166 -12.319 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.005 0.063 -11.254 1.00 0.00 H new ATOM 329 N ALA A 21 4.890 1.409 -13.997 1.00 0.00 N ATOM 330 CA ALA A 21 4.020 2.456 -14.524 1.00 0.00 C ATOM 331 C ALA A 21 3.330 2.034 -15.820 1.00 0.00 C ATOM 332 O ALA A 21 3.706 1.056 -16.470 1.00 0.00 O ATOM 333 CB ALA A 21 4.797 3.763 -14.728 1.00 0.00 C ATOM 0 H ALA A 21 5.646 1.153 -14.632 1.00 0.00 H new ATOM 0 HA ALA A 21 3.241 2.626 -13.781 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.127 4.527 -15.121 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.206 4.096 -13.774 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.611 3.596 -15.434 1.00 0.00 H new ATOM 339 N ILE A 22 2.318 2.819 -16.182 1.00 0.00 N ATOM 340 CA ILE A 22 1.356 2.574 -17.247 1.00 0.00 C ATOM 341 C ILE A 22 1.060 3.921 -17.915 1.00 0.00 C ATOM 342 O ILE A 22 1.028 4.946 -17.230 1.00 0.00 O ATOM 343 CB ILE A 22 0.082 1.915 -16.654 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.445 2.639 -15.384 1.00 0.00 C ATOM 345 CG2 ILE A 22 0.359 0.427 -16.361 1.00 0.00 C ATOM 346 CD1 ILE A 22 -1.762 2.070 -14.845 1.00 0.00 C ATOM 0 H ILE A 22 2.139 3.702 -15.705 1.00 0.00 H new ATOM 0 HA ILE A 22 1.747 1.885 -17.996 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.707 2.004 -17.400 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.312 2.578 -14.603 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.584 3.696 -15.612 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.536 -0.035 -15.945 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.633 -0.081 -17.286 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.177 0.343 -15.645 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.064 2.628 -13.959 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.535 2.156 -15.609 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.625 1.021 -14.584 1.00 0.00 H new ATOM 358 N ASN A 23 0.894 3.935 -19.242 1.00 0.00 N ATOM 359 CA ASN A 23 0.707 5.167 -20.005 1.00 0.00 C ATOM 360 C ASN A 23 -0.743 5.641 -19.897 1.00 0.00 C ATOM 361 O ASN A 23 -1.654 4.970 -20.392 1.00 0.00 O ATOM 362 CB ASN A 23 1.100 4.971 -21.477 1.00 0.00 C ATOM 363 CG ASN A 23 0.895 6.271 -22.248 1.00 0.00 C ATOM 364 OD1 ASN A 23 -0.057 6.410 -23.007 1.00 0.00 O ATOM 365 ND2 ASN A 23 1.758 7.249 -22.044 1.00 0.00 N ATOM 0 H ASN A 23 0.886 3.091 -19.814 1.00 0.00 H new ATOM 0 HA ASN A 23 1.359 5.931 -19.582 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.142 4.658 -21.545 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.499 4.177 -21.920 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.639 8.142 -22.522 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.543 7.112 -21.408 1.00 0.00 H new ATOM 372 N ILE A 24 -0.952 6.798 -19.271 1.00 0.00 N ATOM 373 CA ILE A 24 -2.244 7.460 -19.107 1.00 0.00 C ATOM 374 C ILE A 24 -2.011 8.967 -19.332 1.00 0.00 C ATOM 375 O ILE A 24 -1.829 9.701 -18.360 1.00 0.00 O ATOM 376 CB ILE A 24 -2.880 7.154 -17.726 1.00 0.00 C ATOM 377 CG1 ILE A 24 -2.883 5.648 -17.374 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.309 7.717 -17.717 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.636 5.300 -16.085 1.00 0.00 C ATOM 0 H ILE A 24 -0.189 7.324 -18.845 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.963 7.084 -19.834 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.271 7.632 -16.959 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.328 5.095 -18.201 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.852 5.307 -17.281 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.775 7.512 -16.753 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.277 8.794 -17.883 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.891 7.245 -18.509 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.588 4.224 -15.915 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.179 5.822 -15.244 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.678 5.606 -16.178 1.00 0.00 H new ATOM 391 N PRO A 25 -1.935 9.436 -20.592 1.00 0.00 N ATOM 392 CA PRO A 25 -1.533 10.798 -20.925 1.00 0.00 C ATOM 393 C PRO A 25 -2.341 11.878 -20.201 1.00 0.00 C ATOM 394 O PRO A 25 -3.521 11.700 -19.891 1.00 0.00 O ATOM 395 CB PRO A 25 -1.687 10.924 -22.445 1.00 0.00 C ATOM 396 CG PRO A 25 -1.531 9.486 -22.930 1.00 0.00 C ATOM 397 CD PRO A 25 -2.196 8.691 -21.812 1.00 0.00 C ATOM 0 HA PRO A 25 -0.507 10.964 -20.596 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.657 11.339 -22.719 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.928 11.578 -22.874 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.021 9.325 -23.890 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.484 9.211 -23.057 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.267 8.589 -21.987 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.786 7.683 -21.751 1.00 0.00 H new ATOM 405 N LEU A 26 -1.714 13.043 -20.028 1.00 0.00 N ATOM 406 CA LEU A 26 -2.257 14.236 -19.380 1.00 0.00 C ATOM 407 C LEU A 26 -3.672 14.587 -19.854 1.00 0.00 C ATOM 408 O LEU A 26 -4.510 14.986 -19.049 1.00 0.00 O ATOM 409 CB LEU A 26 -1.283 15.397 -19.667 1.00 0.00 C ATOM 410 CG LEU A 26 -1.665 16.738 -19.014 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.542 16.656 -17.493 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.747 17.850 -19.530 1.00 0.00 C ATOM 0 H LEU A 26 -0.759 13.186 -20.356 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.348 14.047 -18.310 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.289 15.112 -19.323 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.218 15.540 -20.746 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.700 16.959 -19.275 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.817 17.615 -17.054 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.208 15.880 -17.115 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.514 16.415 -17.224 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.023 18.796 -19.064 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.287 17.612 -19.283 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.851 17.935 -20.612 1.00 0.00 H new ATOM 424 N LYS A 27 -3.948 14.426 -21.152 1.00 0.00 N ATOM 425 CA LYS A 27 -5.238 14.768 -21.753 1.00 0.00 C ATOM 426 C LYS A 27 -6.374 13.837 -21.308 1.00 0.00 C ATOM 427 O LYS A 27 -7.536 14.164 -21.548 1.00 0.00 O ATOM 428 CB LYS A 27 -5.109 14.764 -23.289 1.00 0.00 C ATOM 429 CG LYS A 27 -4.061 15.750 -23.847 1.00 0.00 C ATOM 430 CD LYS A 27 -4.284 17.229 -23.484 1.00 0.00 C ATOM 431 CE LYS A 27 -5.638 17.754 -23.990 1.00 0.00 C ATOM 432 NZ LYS A 27 -5.822 19.200 -23.706 1.00 0.00 N ATOM 0 H LYS A 27 -3.275 14.051 -21.820 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.504 15.765 -21.403 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.852 13.757 -23.616 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.080 15.002 -23.723 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.077 15.450 -23.487 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.044 15.659 -24.933 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.232 17.347 -22.402 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.481 17.831 -23.910 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.713 17.584 -25.064 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.443 17.188 -23.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.748 19.509 -24.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.777 19.361 -22.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.070 19.744 -24.175 1.00 0.00 H new ATOM 446 N GLU A 28 -6.072 12.699 -20.676 1.00 0.00 N ATOM 447 CA GLU A 28 -7.049 11.664 -20.335 1.00 0.00 C ATOM 448 C GLU A 28 -6.998 11.294 -18.848 1.00 0.00 C ATOM 449 O GLU A 28 -7.964 10.731 -18.327 1.00 0.00 O ATOM 450 CB GLU A 28 -6.788 10.406 -21.175 1.00 0.00 C ATOM 451 CG GLU A 28 -6.748 10.632 -22.694 1.00 0.00 C ATOM 452 CD GLU A 28 -6.654 9.304 -23.468 1.00 0.00 C ATOM 453 OE1 GLU A 28 -5.903 8.395 -23.044 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.330 9.165 -24.515 1.00 0.00 O ATOM 0 H GLU A 28 -5.123 12.468 -20.382 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.039 12.066 -20.551 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.839 9.971 -20.863 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.563 9.673 -20.953 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.643 11.171 -23.005 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.894 11.260 -22.946 1.00 0.00 H new ATOM 461 N VAL A 29 -5.899 11.615 -18.153 1.00 0.00 N ATOM 462 CA VAL A 29 -5.659 11.265 -16.751 1.00 0.00 C ATOM 463 C VAL A 29 -6.843 11.622 -15.836 1.00 0.00 C ATOM 464 O VAL A 29 -7.143 10.870 -14.909 1.00 0.00 O ATOM 465 CB VAL A 29 -4.307 11.880 -16.295 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.393 13.368 -15.918 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.712 11.084 -15.126 1.00 0.00 C ATOM 0 H VAL A 29 -5.130 12.142 -18.566 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.580 10.181 -16.665 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.652 11.815 -17.164 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.409 13.723 -15.611 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.733 13.943 -16.780 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.097 13.495 -15.096 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.766 11.533 -14.824 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.406 11.099 -14.285 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.541 10.053 -15.437 1.00 0.00 H new ATOM 477 N LYS A 30 -7.551 12.724 -16.127 1.00 0.00 N ATOM 478 CA LYS A 30 -8.677 13.217 -15.331 1.00 0.00 C ATOM 479 C LYS A 30 -9.785 12.176 -15.179 1.00 0.00 C ATOM 480 O LYS A 30 -10.484 12.184 -14.167 1.00 0.00 O ATOM 481 CB LYS A 30 -9.238 14.501 -15.970 1.00 0.00 C ATOM 482 CG LYS A 30 -10.014 15.350 -14.951 1.00 0.00 C ATOM 483 CD LYS A 30 -10.425 16.698 -15.555 1.00 0.00 C ATOM 484 CE LYS A 30 -10.930 17.638 -14.451 1.00 0.00 C ATOM 485 NZ LYS A 30 -11.300 18.973 -14.977 1.00 0.00 N ATOM 0 H LYS A 30 -7.350 13.307 -16.940 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.303 13.432 -14.330 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.419 15.089 -16.385 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.894 14.238 -16.800 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.902 14.809 -14.623 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.398 15.517 -14.067 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.576 17.150 -16.068 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.205 16.548 -16.301 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.795 17.190 -13.962 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.157 17.751 -13.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.472 19.623 -14.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.525 19.341 -15.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.163 18.893 -15.552 1.00 0.00 H new ATOM 499 N GLU A 31 -9.950 11.292 -16.165 1.00 0.00 N ATOM 500 CA GLU A 31 -11.019 10.301 -16.183 1.00 0.00 C ATOM 501 C GLU A 31 -10.428 8.896 -16.100 1.00 0.00 C ATOM 502 O GLU A 31 -10.932 8.069 -15.342 1.00 0.00 O ATOM 503 CB GLU A 31 -11.873 10.470 -17.450 1.00 0.00 C ATOM 504 CG GLU A 31 -12.634 11.805 -17.467 1.00 0.00 C ATOM 505 CD GLU A 31 -13.554 11.913 -18.696 1.00 0.00 C ATOM 506 OE1 GLU A 31 -14.736 11.504 -18.617 1.00 0.00 O ATOM 507 OE2 GLU A 31 -13.117 12.425 -19.752 1.00 0.00 O ATOM 0 H GLU A 31 -9.338 11.246 -16.979 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.665 10.450 -15.317 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.231 10.409 -18.329 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.585 9.648 -17.518 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.227 11.899 -16.557 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.923 12.631 -17.470 1.00 0.00 H new ATOM 514 N ARG A 32 -9.326 8.621 -16.811 1.00 0.00 N ATOM 515 CA ARG A 32 -8.718 7.288 -16.828 1.00 0.00 C ATOM 516 C ARG A 32 -8.165 6.866 -15.465 1.00 0.00 C ATOM 517 O ARG A 32 -7.963 5.669 -15.254 1.00 0.00 O ATOM 518 CB ARG A 32 -7.636 7.201 -17.912 1.00 0.00 C ATOM 519 CG ARG A 32 -8.216 7.087 -19.332 1.00 0.00 C ATOM 520 CD ARG A 32 -7.115 6.960 -20.397 1.00 0.00 C ATOM 521 NE ARG A 32 -6.353 5.700 -20.286 1.00 0.00 N ATOM 522 CZ ARG A 32 -5.165 5.462 -20.860 1.00 0.00 C ATOM 523 NH1 ARG A 32 -4.657 6.296 -21.762 1.00 0.00 N ATOM 524 NH2 ARG A 32 -4.465 4.390 -20.508 1.00 0.00 N ATOM 0 H ARG A 32 -8.837 9.309 -17.384 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.514 6.583 -17.067 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.000 8.085 -17.855 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.000 6.338 -17.715 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.874 6.220 -19.386 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.827 7.964 -19.545 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.566 7.020 -21.388 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.430 7.803 -20.307 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.763 4.951 -19.728 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.173 7.135 -22.029 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.751 6.097 -22.187 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.831 3.751 -19.803 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.561 4.206 -20.943 1.00 0.00 H new ATOM 538 N ILE A 33 -7.959 7.789 -14.520 1.00 0.00 N ATOM 539 CA ILE A 33 -7.649 7.434 -13.135 1.00 0.00 C ATOM 540 C ILE A 33 -8.714 6.481 -12.562 1.00 0.00 C ATOM 541 O ILE A 33 -8.365 5.551 -11.835 1.00 0.00 O ATOM 542 CB ILE A 33 -7.452 8.717 -12.293 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.969 8.438 -10.854 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.720 9.589 -12.236 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.614 7.723 -10.790 1.00 0.00 C ATOM 0 H ILE A 33 -8.002 8.793 -14.693 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.708 6.885 -13.098 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.667 9.263 -12.816 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.898 9.382 -10.314 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.715 7.832 -10.340 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.525 10.476 -11.633 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.999 9.891 -13.245 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.534 9.018 -11.790 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.338 7.560 -9.748 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.685 6.763 -11.302 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.855 8.337 -11.275 1.00 0.00 H new ATOM 557 N ALA A 34 -9.991 6.635 -12.942 1.00 0.00 N ATOM 558 CA ALA A 34 -11.089 5.788 -12.477 1.00 0.00 C ATOM 559 C ALA A 34 -11.004 4.345 -13.003 1.00 0.00 C ATOM 560 O ALA A 34 -11.779 3.492 -12.571 1.00 0.00 O ATOM 561 CB ALA A 34 -12.428 6.425 -12.868 1.00 0.00 C ATOM 0 H ALA A 34 -10.290 7.363 -13.591 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.009 5.721 -11.392 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.246 5.794 -12.521 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.510 7.410 -12.409 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.481 6.525 -13.952 1.00 0.00 H new ATOM 567 N THR A 35 -10.071 4.053 -13.909 1.00 0.00 N ATOM 568 CA THR A 35 -9.826 2.739 -14.483 1.00 0.00 C ATOM 569 C THR A 35 -8.380 2.286 -14.198 1.00 0.00 C ATOM 570 O THR A 35 -7.895 1.338 -14.820 1.00 0.00 O ATOM 571 CB THR A 35 -10.200 2.779 -15.983 1.00 0.00 C ATOM 572 OG1 THR A 35 -9.845 4.001 -16.610 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.712 2.612 -16.177 1.00 0.00 C ATOM 0 H THR A 35 -9.438 4.763 -14.277 1.00 0.00 H new ATOM 0 HA THR A 35 -10.455 1.981 -14.017 1.00 0.00 H new ATOM 0 HB THR A 35 -9.643 1.959 -16.436 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.087 4.403 -16.137 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.948 2.644 -17.241 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.028 1.654 -15.764 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.236 3.419 -15.665 1.00 0.00 H new ATOM 581 N ALA A 36 -7.692 2.938 -13.247 1.00 0.00 N ATOM 582 CA ALA A 36 -6.325 2.612 -12.852 1.00 0.00 C ATOM 583 C ALA A 36 -6.192 2.591 -11.328 1.00 0.00 C ATOM 584 O ALA A 36 -5.726 1.593 -10.777 1.00 0.00 O ATOM 585 CB ALA A 36 -5.363 3.629 -13.476 1.00 0.00 C ATOM 0 H ALA A 36 -8.084 3.721 -12.725 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.072 1.616 -13.215 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.341 3.390 -13.184 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.448 3.592 -14.562 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.615 4.630 -13.127 1.00 0.00 H new ATOM 591 N VAL A 37 -6.641 3.649 -10.644 1.00 0.00 N ATOM 592 CA VAL A 37 -6.628 3.765 -9.189 1.00 0.00 C ATOM 593 C VAL A 37 -7.924 4.485 -8.752 1.00 0.00 C ATOM 594 O VAL A 37 -7.877 5.632 -8.302 1.00 0.00 O ATOM 595 CB VAL A 37 -5.328 4.422 -8.666 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.122 4.056 -7.188 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.045 4.051 -9.432 1.00 0.00 C ATOM 0 H VAL A 37 -7.034 4.470 -11.105 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.619 2.776 -8.730 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.479 5.491 -8.816 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.206 4.520 -6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.969 4.415 -6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.045 2.973 -7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.193 4.564 -8.985 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.888 2.974 -9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.144 4.352 -10.475 1.00 0.00 H new ATOM 607 N PRO A 38 -9.107 3.856 -8.919 1.00 0.00 N ATOM 608 CA PRO A 38 -10.378 4.469 -8.541 1.00 0.00 C ATOM 609 C PRO A 38 -10.466 4.739 -7.033 1.00 0.00 C ATOM 610 O PRO A 38 -11.138 5.685 -6.619 1.00 0.00 O ATOM 611 CB PRO A 38 -11.470 3.502 -9.010 1.00 0.00 C ATOM 612 CG PRO A 38 -10.760 2.152 -9.095 1.00 0.00 C ATOM 613 CD PRO A 38 -9.328 2.525 -9.470 1.00 0.00 C ATOM 0 HA PRO A 38 -10.490 5.447 -9.008 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.303 3.471 -8.308 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.878 3.799 -9.976 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.800 1.617 -8.146 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.216 1.505 -9.845 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.617 1.809 -9.059 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.194 2.522 -10.552 1.00 0.00 H new ATOM 621 N ASP A 39 -9.783 3.940 -6.205 1.00 0.00 N ATOM 622 CA ASP A 39 -9.605 4.224 -4.784 1.00 0.00 C ATOM 623 C ASP A 39 -8.540 5.311 -4.634 1.00 0.00 C ATOM 624 O ASP A 39 -7.364 5.022 -4.407 1.00 0.00 O ATOM 625 CB ASP A 39 -9.243 2.956 -3.997 1.00 0.00 C ATOM 626 CG ASP A 39 -8.992 3.265 -2.508 1.00 0.00 C ATOM 627 OD1 ASP A 39 -9.562 4.244 -1.975 1.00 0.00 O ATOM 628 OD2 ASP A 39 -8.262 2.489 -1.849 1.00 0.00 O ATOM 0 H ASP A 39 -9.337 3.074 -6.508 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.544 4.583 -4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.050 2.228 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.352 2.500 -4.430 1.00 0.00 H new ATOM 633 N LYS A 40 -8.951 6.571 -4.822 1.00 0.00 N ATOM 634 CA LYS A 40 -8.071 7.745 -4.862 1.00 0.00 C ATOM 635 C LYS A 40 -7.146 7.846 -3.641 1.00 0.00 C ATOM 636 O LYS A 40 -6.084 8.460 -3.741 1.00 0.00 O ATOM 637 CB LYS A 40 -8.904 9.038 -4.969 1.00 0.00 C ATOM 638 CG LYS A 40 -9.925 9.069 -6.121 1.00 0.00 C ATOM 639 CD LYS A 40 -10.699 10.398 -6.140 1.00 0.00 C ATOM 640 CE LYS A 40 -11.881 10.316 -7.118 1.00 0.00 C ATOM 641 NZ LYS A 40 -12.729 11.537 -7.097 1.00 0.00 N ATOM 0 H LYS A 40 -9.934 6.809 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.442 7.623 -5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.436 9.187 -4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.223 9.881 -5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.410 8.931 -7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.624 8.239 -6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.063 10.629 -5.139 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.033 11.210 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.502 10.160 -8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.493 9.449 -6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.565 11.389 -7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.033 11.732 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.183 12.345 -7.458 1.00 0.00 H new ATOM 655 N ASN A 41 -7.558 7.275 -2.501 1.00 0.00 N ATOM 656 CA ASN A 41 -6.799 7.291 -1.256 1.00 0.00 C ATOM 657 C ASN A 41 -5.502 6.486 -1.344 1.00 0.00 C ATOM 658 O ASN A 41 -4.583 6.748 -0.569 1.00 0.00 O ATOM 659 CB ASN A 41 -7.666 6.762 -0.105 1.00 0.00 C ATOM 660 CG ASN A 41 -6.935 6.860 1.232 1.00 0.00 C ATOM 661 OD1 ASN A 41 -6.536 7.941 1.655 1.00 0.00 O ATOM 662 ND2 ASN A 41 -6.747 5.751 1.927 1.00 0.00 N ATOM 0 H ASN A 41 -8.447 6.781 -2.423 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.520 8.328 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.595 7.330 -0.056 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.937 5.724 -0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.266 5.788 2.826 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.083 4.859 1.565 1.00 0.00 H new ATOM 669 N ASP A 42 -5.403 5.503 -2.242 1.00 0.00 N ATOM 670 CA ASP A 42 -4.151 4.774 -2.444 1.00 0.00 C ATOM 671 C ASP A 42 -3.129 5.680 -3.145 1.00 0.00 C ATOM 672 O ASP A 42 -3.519 6.583 -3.887 1.00 0.00 O ATOM 673 CB ASP A 42 -4.393 3.500 -3.254 1.00 0.00 C ATOM 674 CG ASP A 42 -3.159 2.598 -3.175 1.00 0.00 C ATOM 675 OD1 ASP A 42 -2.820 2.176 -2.047 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.540 2.310 -4.220 1.00 0.00 O ATOM 0 H ASP A 42 -6.172 5.195 -2.838 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.752 4.482 -1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.266 2.973 -2.869 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.605 3.753 -4.293 1.00 0.00 H new ATOM 681 N THR A 43 -1.831 5.483 -2.908 1.00 0.00 N ATOM 682 CA THR A 43 -0.808 6.406 -3.396 1.00 0.00 C ATOM 683 C THR A 43 -0.715 6.334 -4.928 1.00 0.00 C ATOM 684 O THR A 43 -0.684 5.237 -5.495 1.00 0.00 O ATOM 685 CB THR A 43 0.553 6.091 -2.744 1.00 0.00 C ATOM 686 OG1 THR A 43 0.412 5.607 -1.419 1.00 0.00 O ATOM 687 CG2 THR A 43 1.466 7.320 -2.720 1.00 0.00 C ATOM 0 H THR A 43 -1.464 4.691 -2.380 1.00 0.00 H new ATOM 0 HA THR A 43 -1.088 7.422 -3.119 1.00 0.00 H new ATOM 0 HB THR A 43 1.004 5.313 -3.360 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.385 4.627 -1.430 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.416 7.059 -2.253 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.645 7.661 -3.740 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.989 8.117 -2.150 1.00 0.00 H new ATOM 695 N VAL A 44 -0.590 7.483 -5.600 1.00 0.00 N ATOM 696 CA VAL A 44 -0.425 7.564 -7.050 1.00 0.00 C ATOM 697 C VAL A 44 0.759 8.490 -7.312 1.00 0.00 C ATOM 698 O VAL A 44 0.832 9.580 -6.745 1.00 0.00 O ATOM 699 CB VAL A 44 -1.716 8.073 -7.734 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.621 7.959 -9.264 1.00 0.00 C ATOM 701 CG2 VAL A 44 -2.969 7.310 -7.286 1.00 0.00 C ATOM 0 H VAL A 44 -0.601 8.395 -5.143 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.233 6.578 -7.474 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.808 9.116 -7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.544 8.325 -9.714 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.782 8.555 -9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.470 6.916 -9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.843 7.712 -7.799 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.858 6.253 -7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.098 7.422 -6.209 1.00 0.00 H new ATOM 711 N LYS A 45 1.686 8.061 -8.168 1.00 0.00 N ATOM 712 CA LYS A 45 2.943 8.753 -8.429 1.00 0.00 C ATOM 713 C LYS A 45 3.049 8.995 -9.927 1.00 0.00 C ATOM 714 O LYS A 45 3.487 8.126 -10.683 1.00 0.00 O ATOM 715 CB LYS A 45 4.101 7.938 -7.829 1.00 0.00 C ATOM 716 CG LYS A 45 4.197 8.198 -6.317 1.00 0.00 C ATOM 717 CD LYS A 45 5.330 7.402 -5.661 1.00 0.00 C ATOM 718 CE LYS A 45 5.460 7.825 -4.191 1.00 0.00 C ATOM 719 NZ LYS A 45 6.474 7.025 -3.464 1.00 0.00 N ATOM 0 H LYS A 45 1.579 7.204 -8.710 1.00 0.00 H new ATOM 0 HA LYS A 45 2.988 9.730 -7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.944 6.876 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.038 8.211 -8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.356 9.262 -6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.250 7.935 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.125 6.333 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.268 7.580 -6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.729 8.880 -4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.494 7.718 -3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.762 7.530 -2.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.069 6.103 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.304 6.880 -4.073 1.00 0.00 H new ATOM 733 N VAL A 46 2.556 10.148 -10.372 1.00 0.00 N ATOM 734 CA VAL A 46 2.620 10.536 -11.777 1.00 0.00 C ATOM 735 C VAL A 46 4.060 10.978 -12.091 1.00 0.00 C ATOM 736 O VAL A 46 4.700 11.595 -11.238 1.00 0.00 O ATOM 737 CB VAL A 46 1.552 11.617 -12.079 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.127 11.069 -11.889 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.644 12.887 -11.222 1.00 0.00 C ATOM 0 H VAL A 46 2.103 10.837 -9.771 1.00 0.00 H new ATOM 0 HA VAL A 46 2.384 9.699 -12.434 1.00 0.00 H new ATOM 0 HB VAL A 46 1.761 11.885 -13.115 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.597 11.854 -12.109 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.033 10.228 -12.564 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.001 10.736 -10.859 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.853 13.579 -11.511 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.530 12.625 -10.170 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.614 13.360 -11.375 1.00 0.00 H new ATOM 749 N TYR A 47 4.572 10.700 -13.294 1.00 0.00 N ATOM 750 CA TYR A 47 5.851 11.206 -13.792 1.00 0.00 C ATOM 751 C TYR A 47 5.746 11.434 -15.310 1.00 0.00 C ATOM 752 O TYR A 47 4.846 10.891 -15.962 1.00 0.00 O ATOM 753 CB TYR A 47 7.013 10.253 -13.445 1.00 0.00 C ATOM 754 CG TYR A 47 7.196 9.124 -14.436 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.377 7.981 -14.384 1.00 0.00 C ATOM 756 CD2 TYR A 47 8.132 9.275 -15.475 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.496 6.990 -15.373 1.00 0.00 C ATOM 758 CE2 TYR A 47 8.245 8.293 -16.468 1.00 0.00 C ATOM 759 CZ TYR A 47 7.434 7.140 -16.416 1.00 0.00 C ATOM 760 OH TYR A 47 7.554 6.179 -17.374 1.00 0.00 O ATOM 0 H TYR A 47 4.093 10.100 -13.966 1.00 0.00 H new ATOM 0 HA TYR A 47 6.071 12.155 -13.302 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.937 10.828 -13.389 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.840 9.830 -12.455 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.659 7.866 -13.586 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.765 10.150 -15.507 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.868 6.112 -15.335 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.953 8.419 -17.274 1.00 0.00 H new ATOM 0 HH TYR A 47 8.058 6.537 -18.135 1.00 0.00 H new ATOM 770 N CYS A 48 6.663 12.220 -15.883 1.00 0.00 N ATOM 771 CA CYS A 48 6.766 12.448 -17.324 1.00 0.00 C ATOM 772 C CYS A 48 8.211 12.803 -17.686 1.00 0.00 C ATOM 773 O CYS A 48 9.018 13.075 -16.802 1.00 0.00 O ATOM 774 CB CYS A 48 5.820 13.591 -17.728 1.00 0.00 C ATOM 775 SG CYS A 48 6.383 15.150 -16.998 1.00 0.00 S ATOM 0 H CYS A 48 7.368 12.725 -15.345 1.00 0.00 H new ATOM 0 HA CYS A 48 6.481 11.543 -17.861 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.787 13.680 -18.814 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.806 13.369 -17.395 1.00 0.00 H new ATOM 0 HG CYS A 48 6.359 15.056 -15.702 1.00 0.00 H new ATOM 781 N ASN A 49 8.528 12.895 -18.978 1.00 0.00 N ATOM 782 CA ASN A 49 9.853 13.232 -19.511 1.00 0.00 C ATOM 783 C ASN A 49 10.491 14.507 -18.927 1.00 0.00 C ATOM 784 O ASN A 49 11.720 14.612 -18.924 1.00 0.00 O ATOM 785 CB ASN A 49 9.760 13.354 -21.043 1.00 0.00 C ATOM 786 CG ASN A 49 11.130 13.547 -21.694 1.00 0.00 C ATOM 787 OD1 ASN A 49 12.088 12.846 -21.383 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.257 14.496 -22.608 1.00 0.00 N ATOM 0 H ASN A 49 7.841 12.730 -19.714 1.00 0.00 H new ATOM 0 HA ASN A 49 10.513 12.419 -19.208 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.290 12.458 -21.449 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.116 14.195 -21.300 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.158 14.650 -23.061 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.454 15.073 -22.859 1.00 0.00 H new ATOM 795 N ALA A 50 9.695 15.468 -18.439 1.00 0.00 N ATOM 796 CA ALA A 50 10.173 16.802 -18.059 1.00 0.00 C ATOM 797 C ALA A 50 9.772 17.232 -16.636 1.00 0.00 C ATOM 798 O ALA A 50 10.107 18.342 -16.223 1.00 0.00 O ATOM 799 CB ALA A 50 9.670 17.811 -19.101 1.00 0.00 C ATOM 0 H ALA A 50 8.693 15.339 -18.296 1.00 0.00 H new ATOM 0 HA ALA A 50 11.262 16.770 -18.043 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.015 18.810 -18.836 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.057 17.542 -20.084 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.580 17.798 -19.124 1.00 0.00 H new ATOM 805 N GLY A 51 9.038 16.402 -15.888 1.00 0.00 N ATOM 806 CA GLY A 51 8.568 16.671 -14.527 1.00 0.00 C ATOM 807 C GLY A 51 7.410 17.672 -14.459 1.00 0.00 C ATOM 808 O GLY A 51 6.499 17.500 -13.648 1.00 0.00 O ATOM 0 H GLY A 51 8.743 15.487 -16.229 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.253 15.733 -14.070 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.400 17.051 -13.934 1.00 0.00 H new ATOM 812 N ARG A 52 7.395 18.702 -15.312 1.00 0.00 N ATOM 813 CA ARG A 52 6.349 19.720 -15.305 1.00 0.00 C ATOM 814 C ARG A 52 4.993 19.124 -15.637 1.00 0.00 C ATOM 815 O ARG A 52 4.012 19.494 -14.992 1.00 0.00 O ATOM 816 CB ARG A 52 6.687 20.866 -16.286 1.00 0.00 C ATOM 817 CG ARG A 52 5.555 21.907 -16.435 1.00 0.00 C ATOM 818 CD ARG A 52 5.294 22.664 -15.121 1.00 0.00 C ATOM 819 NE ARG A 52 4.029 23.425 -15.136 1.00 0.00 N ATOM 820 CZ ARG A 52 2.921 23.114 -14.445 1.00 0.00 C ATOM 821 NH1 ARG A 52 2.773 21.937 -13.850 1.00 0.00 N ATOM 822 NH2 ARG A 52 1.917 23.971 -14.329 1.00 0.00 N ATOM 0 H ARG A 52 8.109 18.850 -16.025 1.00 0.00 H new ATOM 0 HA ARG A 52 6.300 20.130 -14.296 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.591 21.371 -15.944 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.910 20.441 -17.265 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.817 22.619 -17.218 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.641 21.406 -16.753 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.274 21.952 -14.296 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.121 23.348 -14.932 1.00 0.00 H new ATOM 0 HE ARG A 52 3.994 24.259 -15.722 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.514 21.238 -13.910 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.919 21.731 -13.332 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.976 24.889 -14.770 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.085 23.713 -13.799 1.00 0.00 H new ATOM 836 N GLN A 53 4.918 18.260 -16.648 1.00 0.00 N ATOM 837 CA GLN A 53 3.640 17.767 -17.148 1.00 0.00 C ATOM 838 C GLN A 53 3.025 16.775 -16.156 1.00 0.00 C ATOM 839 O GLN A 53 1.804 16.716 -16.038 1.00 0.00 O ATOM 840 CB GLN A 53 3.779 17.170 -18.557 1.00 0.00 C ATOM 841 CG GLN A 53 4.468 18.106 -19.566 1.00 0.00 C ATOM 842 CD GLN A 53 4.495 17.503 -20.971 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.505 16.963 -21.417 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.392 17.571 -21.700 1.00 0.00 N ATOM 0 H GLN A 53 5.732 17.887 -17.137 1.00 0.00 H new ATOM 0 HA GLN A 53 2.956 18.611 -17.237 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.345 16.241 -18.493 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.788 16.914 -18.932 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.945 19.062 -19.591 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.487 18.308 -19.237 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.558 18.021 -21.322 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.376 17.174 -22.639 1.00 0.00 H new ATOM 853 N SER A 54 3.826 16.047 -15.375 1.00 0.00 N ATOM 854 CA SER A 54 3.308 15.279 -14.253 1.00 0.00 C ATOM 855 C SER A 54 2.844 16.222 -13.146 1.00 0.00 C ATOM 856 O SER A 54 1.836 15.948 -12.499 1.00 0.00 O ATOM 857 CB SER A 54 4.323 14.234 -13.798 1.00 0.00 C ATOM 858 OG SER A 54 5.663 14.663 -13.949 1.00 0.00 O ATOM 0 H SER A 54 4.835 15.977 -15.503 1.00 0.00 H new ATOM 0 HA SER A 54 2.429 14.714 -14.562 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.141 13.990 -12.751 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.174 13.318 -14.369 1.00 0.00 H new ATOM 0 HG SER A 54 6.066 14.796 -13.065 1.00 0.00 H new ATOM 864 N GLY A 55 3.499 17.374 -12.992 1.00 0.00 N ATOM 865 CA GLY A 55 3.001 18.474 -12.184 1.00 0.00 C ATOM 866 C GLY A 55 1.587 18.859 -12.639 1.00 0.00 C ATOM 867 O GLY A 55 0.676 18.923 -11.817 1.00 0.00 O ATOM 0 H GLY A 55 4.399 17.565 -13.432 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.988 18.187 -11.132 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.667 19.332 -12.273 1.00 0.00 H new ATOM 871 N GLN A 56 1.366 19.026 -13.949 1.00 0.00 N ATOM 872 CA GLN A 56 0.049 19.353 -14.497 1.00 0.00 C ATOM 873 C GLN A 56 -0.952 18.230 -14.230 1.00 0.00 C ATOM 874 O GLN A 56 -2.089 18.509 -13.861 1.00 0.00 O ATOM 875 CB GLN A 56 0.103 19.606 -16.009 1.00 0.00 C ATOM 876 CG GLN A 56 0.997 20.778 -16.425 1.00 0.00 C ATOM 877 CD GLN A 56 0.935 21.019 -17.933 1.00 0.00 C ATOM 878 OE1 GLN A 56 1.749 20.502 -18.692 1.00 0.00 O ATOM 879 NE2 GLN A 56 -0.028 21.796 -18.404 1.00 0.00 N ATOM 0 H GLN A 56 2.096 18.938 -14.656 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.273 20.265 -13.995 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.457 18.702 -16.504 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.909 19.791 -16.370 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.686 21.680 -15.898 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.026 20.575 -16.129 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.699 22.221 -17.764 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.099 21.970 -19.407 1.00 0.00 H new ATOM 888 N ALA A 57 -0.555 16.964 -14.384 1.00 0.00 N ATOM 889 CA ALA A 57 -1.444 15.849 -14.078 1.00 0.00 C ATOM 890 C ALA A 57 -1.827 15.861 -12.601 1.00 0.00 C ATOM 891 O ALA A 57 -2.958 15.525 -12.257 1.00 0.00 O ATOM 892 CB ALA A 57 -0.788 14.521 -14.448 1.00 0.00 C ATOM 0 H ALA A 57 0.370 16.691 -14.716 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.351 15.961 -14.672 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.467 13.702 -14.212 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.564 14.511 -15.515 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.136 14.401 -13.882 1.00 0.00 H new ATOM 898 N LYS A 58 -0.910 16.280 -11.727 1.00 0.00 N ATOM 899 CA LYS A 58 -1.204 16.393 -10.303 1.00 0.00 C ATOM 900 C LYS A 58 -2.199 17.532 -10.093 1.00 0.00 C ATOM 901 O LYS A 58 -3.142 17.356 -9.328 1.00 0.00 O ATOM 902 CB LYS A 58 0.100 16.522 -9.486 1.00 0.00 C ATOM 903 CG LYS A 58 -0.093 16.239 -7.983 1.00 0.00 C ATOM 904 CD LYS A 58 -0.504 17.475 -7.168 1.00 0.00 C ATOM 905 CE LYS A 58 -1.015 17.057 -5.782 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.723 18.169 -5.101 1.00 0.00 N ATOM 0 H LYS A 58 0.041 16.546 -11.983 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.680 15.486 -9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.842 15.831 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.501 17.528 -9.611 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.853 15.467 -7.863 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.836 15.839 -7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.347 18.147 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.281 18.026 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.687 16.205 -5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.176 16.729 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.083 17.840 -4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.064 18.960 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.518 18.487 -5.691 1.00 0.00 H new ATOM 920 N GLU A 59 -2.052 18.668 -10.780 1.00 0.00 N ATOM 921 CA GLU A 59 -3.010 19.774 -10.715 1.00 0.00 C ATOM 922 C GLU A 59 -4.403 19.310 -11.180 1.00 0.00 C ATOM 923 O GLU A 59 -5.397 19.590 -10.507 1.00 0.00 O ATOM 924 CB GLU A 59 -2.516 20.972 -11.551 1.00 0.00 C ATOM 925 CG GLU A 59 -1.271 21.660 -10.966 1.00 0.00 C ATOM 926 CD GLU A 59 -0.678 22.698 -11.938 1.00 0.00 C ATOM 927 OE1 GLU A 59 -1.165 23.852 -11.973 1.00 0.00 O ATOM 928 OE2 GLU A 59 0.296 22.380 -12.660 1.00 0.00 O ATOM 0 H GLU A 59 -1.262 18.847 -11.399 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.092 20.100 -9.678 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.291 20.631 -12.562 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.320 21.703 -11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.534 22.149 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.517 20.908 -10.733 1.00 0.00 H new ATOM 935 N ILE A 60 -4.485 18.553 -12.281 1.00 0.00 N ATOM 936 CA ILE A 60 -5.733 17.975 -12.786 1.00 0.00 C ATOM 937 C ILE A 60 -6.352 17.079 -11.709 1.00 0.00 C ATOM 938 O ILE A 60 -7.529 17.225 -11.371 1.00 0.00 O ATOM 939 CB ILE A 60 -5.465 17.203 -14.107 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.195 18.189 -15.266 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.626 16.270 -14.491 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.855 17.495 -16.593 1.00 0.00 C ATOM 0 H ILE A 60 -3.673 18.322 -12.854 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.447 18.767 -13.013 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.584 16.585 -13.932 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.073 18.819 -15.409 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.372 18.848 -14.988 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.387 15.755 -15.421 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.780 15.536 -13.700 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.535 16.856 -14.624 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.678 18.247 -17.362 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.959 16.887 -16.467 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.687 16.858 -16.894 1.00 0.00 H new ATOM 954 N LEU A 61 -5.572 16.142 -11.167 1.00 0.00 N ATOM 955 CA LEU A 61 -6.087 15.170 -10.214 1.00 0.00 C ATOM 956 C LEU A 61 -6.448 15.843 -8.886 1.00 0.00 C ATOM 957 O LEU A 61 -7.358 15.384 -8.196 1.00 0.00 O ATOM 958 CB LEU A 61 -5.091 14.011 -10.036 1.00 0.00 C ATOM 959 CG LEU A 61 -4.971 13.097 -11.281 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.856 12.064 -11.086 1.00 0.00 C ATOM 961 CD2 LEU A 61 -6.277 12.364 -11.602 1.00 0.00 C ATOM 0 H LEU A 61 -4.579 16.040 -11.376 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.009 14.744 -10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.109 14.421 -9.801 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.398 13.408 -9.182 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.735 13.752 -12.120 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.787 11.431 -11.971 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.907 12.578 -10.932 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.080 11.447 -10.216 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.136 11.738 -12.483 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.561 11.740 -10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.065 13.092 -11.797 1.00 0.00 H new ATOM 973 N SER A 62 -5.807 16.962 -8.542 1.00 0.00 N ATOM 974 CA SER A 62 -6.181 17.754 -7.379 1.00 0.00 C ATOM 975 C SER A 62 -7.612 18.274 -7.519 1.00 0.00 C ATOM 976 O SER A 62 -8.365 18.232 -6.546 1.00 0.00 O ATOM 977 CB SER A 62 -5.184 18.891 -7.139 1.00 0.00 C ATOM 978 OG SER A 62 -3.877 18.367 -6.974 1.00 0.00 O ATOM 0 H SER A 62 -5.016 17.340 -9.064 1.00 0.00 H new ATOM 0 HA SER A 62 -6.148 17.109 -6.501 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.203 19.585 -7.980 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.472 19.456 -6.253 1.00 0.00 H new ATOM 0 HG SER A 62 -3.514 18.113 -7.848 1.00 0.00 H new ATOM 984 N GLU A 63 -8.019 18.693 -8.723 1.00 0.00 N ATOM 985 CA GLU A 63 -9.383 19.142 -8.970 1.00 0.00 C ATOM 986 C GLU A 63 -10.360 17.961 -8.882 1.00 0.00 C ATOM 987 O GLU A 63 -11.430 18.104 -8.286 1.00 0.00 O ATOM 988 CB GLU A 63 -9.460 19.853 -10.333 1.00 0.00 C ATOM 989 CG GLU A 63 -10.805 20.569 -10.524 1.00 0.00 C ATOM 990 CD GLU A 63 -10.862 21.329 -11.858 1.00 0.00 C ATOM 991 OE1 GLU A 63 -10.466 22.516 -11.910 1.00 0.00 O ATOM 992 OE2 GLU A 63 -11.329 20.748 -12.864 1.00 0.00 O ATOM 0 H GLU A 63 -7.414 18.728 -9.543 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.674 19.859 -8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.648 20.576 -10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.318 19.125 -11.132 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.614 19.839 -10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.966 21.266 -9.701 1.00 0.00 H new ATOM 999 N MET A 64 -10.003 16.792 -9.436 1.00 0.00 N ATOM 1000 CA MET A 64 -10.916 15.642 -9.463 1.00 0.00 C ATOM 1001 C MET A 64 -11.061 14.959 -8.091 1.00 0.00 C ATOM 1002 O MET A 64 -12.020 14.209 -7.890 1.00 0.00 O ATOM 1003 CB MET A 64 -10.586 14.685 -10.625 1.00 0.00 C ATOM 1004 CG MET A 64 -9.537 13.602 -10.347 1.00 0.00 C ATOM 1005 SD MET A 64 -10.079 12.092 -9.496 1.00 0.00 S ATOM 1006 CE MET A 64 -11.273 11.429 -10.693 1.00 0.00 C ATOM 0 H MET A 64 -9.095 16.620 -9.868 1.00 0.00 H new ATOM 0 HA MET A 64 -11.916 16.022 -9.673 1.00 0.00 H new ATOM 0 HB2 MET A 64 -11.509 14.194 -10.934 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.244 15.282 -11.471 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.098 13.309 -11.301 1.00 0.00 H new ATOM 0 HG3 MET A 64 -8.741 14.052 -9.754 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.465 10.379 -10.472 1.00 0.00 H new ATOM 0 HE2 MET A 64 -12.205 11.990 -10.626 1.00 0.00 H new ATOM 0 HE3 MET A 64 -10.866 11.519 -11.700 1.00 0.00 H new ATOM 1016 N GLY A 65 -10.156 15.220 -7.138 1.00 0.00 N ATOM 1017 CA GLY A 65 -10.328 14.835 -5.737 1.00 0.00 C ATOM 1018 C GLY A 65 -9.143 14.071 -5.153 1.00 0.00 C ATOM 1019 O GLY A 65 -9.356 13.028 -4.533 1.00 0.00 O ATOM 0 H GLY A 65 -9.279 15.708 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.497 15.733 -5.142 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.223 14.220 -5.647 1.00 0.00 H new ATOM 1023 N TYR A 66 -7.908 14.533 -5.379 1.00 0.00 N ATOM 1024 CA TYR A 66 -6.715 13.887 -4.834 1.00 0.00 C ATOM 1025 C TYR A 66 -6.771 13.727 -3.305 1.00 0.00 C ATOM 1026 O TYR A 66 -7.429 14.499 -2.601 1.00 0.00 O ATOM 1027 CB TYR A 66 -5.430 14.642 -5.229 1.00 0.00 C ATOM 1028 CG TYR A 66 -4.965 15.734 -4.267 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -5.795 16.830 -3.954 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -3.715 15.611 -3.622 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -5.385 17.792 -3.015 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -3.307 16.557 -2.665 1.00 0.00 C ATOM 1033 CZ TYR A 66 -4.143 17.656 -2.356 1.00 0.00 C ATOM 1034 OH TYR A 66 -3.764 18.586 -1.435 1.00 0.00 O ATOM 0 H TYR A 66 -7.711 15.361 -5.942 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.692 12.890 -5.274 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.625 13.915 -5.336 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.585 15.093 -6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -6.754 16.931 -4.440 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.066 14.783 -3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.021 18.637 -2.797 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.356 16.445 -2.166 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.885 18.348 -1.072 1.00 0.00 H new ATOM 1044 N THR A 67 -5.990 12.770 -2.802 1.00 0.00 N ATOM 1045 CA THR A 67 -5.699 12.586 -1.381 1.00 0.00 C ATOM 1046 C THR A 67 -4.226 12.187 -1.207 1.00 0.00 C ATOM 1047 O THR A 67 -3.533 12.795 -0.389 1.00 0.00 O ATOM 1048 CB THR A 67 -6.660 11.550 -0.761 1.00 0.00 C ATOM 1049 OG1 THR A 67 -7.019 10.560 -1.705 1.00 0.00 O ATOM 1050 CG2 THR A 67 -7.959 12.181 -0.262 1.00 0.00 C ATOM 0 H THR A 67 -5.528 12.079 -3.393 1.00 0.00 H new ATOM 0 HA THR A 67 -5.859 13.524 -0.849 1.00 0.00 H new ATOM 0 HB THR A 67 -6.116 11.116 0.078 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.209 10.183 -2.108 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.599 11.408 0.164 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.732 12.926 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.474 12.660 -1.095 1.00 0.00 H new ATOM 1058 N HIS A 68 -3.713 11.255 -2.029 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.314 10.809 -2.007 1.00 0.00 C ATOM 1060 C HIS A 68 -1.739 10.697 -3.430 1.00 0.00 C ATOM 1061 O HIS A 68 -0.955 9.795 -3.733 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.183 9.503 -1.200 1.00 0.00 C ATOM 1063 CG HIS A 68 -2.571 9.633 0.255 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -3.527 8.894 0.910 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -2.025 10.486 1.178 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -3.568 9.295 2.190 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -2.665 10.271 2.408 1.00 0.00 N ATOM 0 H HIS A 68 -4.272 10.783 -2.740 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.711 11.562 -1.499 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.806 8.738 -1.664 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.152 9.154 -1.260 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.107 8.165 0.494 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.237 11.201 0.991 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.232 8.892 2.940 1.00 0.00 H new ATOM 1075 N VAL A 69 -2.152 11.598 -4.326 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.515 11.757 -5.631 1.00 0.00 C ATOM 1077 C VAL A 69 -0.321 12.693 -5.418 1.00 0.00 C ATOM 1078 O VAL A 69 -0.463 13.728 -4.762 1.00 0.00 O ATOM 1079 CB VAL A 69 -2.503 12.339 -6.664 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.878 12.402 -8.065 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.811 11.530 -6.753 1.00 0.00 C ATOM 0 H VAL A 69 -2.934 12.234 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.190 10.795 -6.028 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.734 13.345 -6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.601 12.817 -8.768 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.992 13.036 -8.040 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.597 11.398 -8.384 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.469 11.983 -7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.585 10.505 -7.046 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.305 11.529 -5.781 1.00 0.00 H new ATOM 1091 N GLU A 70 0.836 12.370 -5.994 1.00 0.00 N ATOM 1092 CA GLU A 70 2.043 13.182 -5.927 1.00 0.00 C ATOM 1093 C GLU A 70 2.736 13.155 -7.289 1.00 0.00 C ATOM 1094 O GLU A 70 2.694 12.143 -7.996 1.00 0.00 O ATOM 1095 CB GLU A 70 2.996 12.623 -4.852 1.00 0.00 C ATOM 1096 CG GLU A 70 2.496 12.770 -3.404 1.00 0.00 C ATOM 1097 CD GLU A 70 2.306 14.228 -2.931 1.00 0.00 C ATOM 1098 OE1 GLU A 70 2.873 15.170 -3.530 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.626 14.438 -1.900 1.00 0.00 O ATOM 0 H GLU A 70 0.960 11.513 -6.534 1.00 0.00 H new ATOM 0 HA GLU A 70 1.778 14.206 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.170 11.566 -5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.958 13.128 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.546 12.244 -3.307 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.203 12.276 -2.738 1.00 0.00 H new ATOM 1106 N ASN A 71 3.387 14.263 -7.656 1.00 0.00 N ATOM 1107 CA ASN A 71 4.292 14.287 -8.799 1.00 0.00 C ATOM 1108 C ASN A 71 5.611 13.694 -8.323 1.00 0.00 C ATOM 1109 O ASN A 71 6.269 14.263 -7.449 1.00 0.00 O ATOM 1110 CB ASN A 71 4.504 15.711 -9.332 1.00 0.00 C ATOM 1111 CG ASN A 71 5.497 15.748 -10.496 1.00 0.00 C ATOM 1112 OD1 ASN A 71 5.856 14.731 -11.081 1.00 0.00 O ATOM 1113 ND2 ASN A 71 5.949 16.925 -10.879 1.00 0.00 N ATOM 0 H ASN A 71 3.300 15.157 -7.173 1.00 0.00 H new ATOM 0 HA ASN A 71 3.870 13.713 -9.624 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.548 16.122 -9.658 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.867 16.349 -8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.598 16.992 -11.663 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.650 17.770 -10.392 1.00 0.00 H new ATOM 1120 N ALA A 72 5.974 12.536 -8.866 1.00 0.00 N ATOM 1121 CA ALA A 72 7.188 11.827 -8.503 1.00 0.00 C ATOM 1122 C ALA A 72 8.442 12.600 -8.923 1.00 0.00 C ATOM 1123 O ALA A 72 9.473 12.490 -8.257 1.00 0.00 O ATOM 1124 CB ALA A 72 7.163 10.460 -9.182 1.00 0.00 C ATOM 0 H ALA A 72 5.423 12.060 -9.580 1.00 0.00 H new ATOM 0 HA ALA A 72 7.226 11.718 -7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.067 9.909 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.289 9.902 -8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.115 10.591 -10.263 1.00 0.00 H new ATOM 1130 N GLY A 73 8.366 13.360 -10.019 1.00 0.00 N ATOM 1131 CA GLY A 73 9.499 14.028 -10.639 1.00 0.00 C ATOM 1132 C GLY A 73 9.462 13.801 -12.145 1.00 0.00 C ATOM 1133 O GLY A 73 8.448 13.360 -12.696 1.00 0.00 O ATOM 0 H GLY A 73 7.487 13.528 -10.508 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.469 15.096 -10.421 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.432 13.644 -10.226 1.00 0.00 H new ATOM 1137 N GLY A 74 10.579 14.088 -12.813 1.00 0.00 N ATOM 1138 CA GLY A 74 10.749 13.761 -14.219 1.00 0.00 C ATOM 1139 C GLY A 74 11.306 12.349 -14.379 1.00 0.00 C ATOM 1140 O GLY A 74 11.934 11.815 -13.467 1.00 0.00 O ATOM 0 H GLY A 74 11.385 14.551 -12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.792 13.841 -14.735 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.423 14.479 -14.686 1.00 0.00 H new ATOM 1144 N LEU A 75 11.146 11.757 -15.565 1.00 0.00 N ATOM 1145 CA LEU A 75 11.675 10.439 -15.953 1.00 0.00 C ATOM 1146 C LEU A 75 13.168 10.301 -15.625 1.00 0.00 C ATOM 1147 O LEU A 75 13.636 9.225 -15.256 1.00 0.00 O ATOM 1148 CB LEU A 75 11.436 10.276 -17.471 1.00 0.00 C ATOM 1149 CG LEU A 75 12.141 9.095 -18.175 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.732 7.715 -17.648 1.00 0.00 C ATOM 1151 CD2 LEU A 75 11.841 9.157 -19.677 1.00 0.00 C ATOM 0 H LEU A 75 10.621 12.200 -16.318 1.00 0.00 H new ATOM 0 HA LEU A 75 11.163 9.659 -15.390 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.363 10.175 -17.635 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.748 11.197 -17.963 1.00 0.00 H new ATOM 0 HG LEU A 75 13.205 9.206 -17.966 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.272 6.942 -18.195 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.973 7.645 -16.587 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.660 7.576 -17.787 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.335 8.327 -20.181 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.765 9.090 -19.836 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.209 10.099 -20.083 1.00 0.00 H new ATOM 1163 N LYS A 76 13.903 11.410 -15.738 1.00 0.00 N ATOM 1164 CA LYS A 76 15.332 11.519 -15.452 1.00 0.00 C ATOM 1165 C LYS A 76 15.651 11.324 -13.960 1.00 0.00 C ATOM 1166 O LYS A 76 16.827 11.219 -13.611 1.00 0.00 O ATOM 1167 CB LYS A 76 15.817 12.899 -15.939 1.00 0.00 C ATOM 1168 CG LYS A 76 15.653 13.087 -17.462 1.00 0.00 C ATOM 1169 CD LYS A 76 15.783 14.564 -17.861 1.00 0.00 C ATOM 1170 CE LYS A 76 15.667 14.793 -19.378 1.00 0.00 C ATOM 1171 NZ LYS A 76 14.368 14.354 -19.950 1.00 0.00 N ATOM 0 H LYS A 76 13.498 12.295 -16.045 1.00 0.00 H new ATOM 0 HA LYS A 76 15.856 10.722 -15.979 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.260 13.679 -15.419 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.866 13.025 -15.673 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.407 12.499 -17.986 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.680 12.708 -17.774 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.010 15.141 -17.353 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.744 14.944 -17.515 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.807 15.853 -19.588 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.474 14.259 -19.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.222 14.812 -20.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.374 13.321 -20.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.597 14.620 -19.305 1.00 0.00 H new ATOM 1185 N ASP A 77 14.643 11.284 -13.082 1.00 0.00 N ATOM 1186 CA ASP A 77 14.791 11.284 -11.629 1.00 0.00 C ATOM 1187 C ASP A 77 14.090 10.096 -10.962 1.00 0.00 C ATOM 1188 O ASP A 77 14.569 9.657 -9.916 1.00 0.00 O ATOM 1189 CB ASP A 77 14.270 12.605 -11.050 1.00 0.00 C ATOM 1190 CG ASP A 77 14.489 12.673 -9.528 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.651 12.833 -9.089 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.500 12.620 -8.765 1.00 0.00 O ATOM 0 H ASP A 77 13.668 11.250 -13.378 1.00 0.00 H new ATOM 0 HA ASP A 77 15.855 11.182 -11.414 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.778 13.441 -11.530 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.208 12.708 -11.272 1.00 0.00 H new ATOM 1197 N ILE A 78 13.020 9.519 -11.541 1.00 0.00 N ATOM 1198 CA ILE A 78 12.481 8.245 -11.054 1.00 0.00 C ATOM 1199 C ILE A 78 13.494 7.152 -11.435 1.00 0.00 C ATOM 1200 O ILE A 78 13.426 6.562 -12.517 1.00 0.00 O ATOM 1201 CB ILE A 78 11.036 7.956 -11.549 1.00 0.00 C ATOM 1202 CG1 ILE A 78 9.975 8.957 -11.035 1.00 0.00 C ATOM 1203 CG2 ILE A 78 10.571 6.579 -11.031 1.00 0.00 C ATOM 1204 CD1 ILE A 78 10.042 10.350 -11.651 1.00 0.00 C ATOM 0 H ILE A 78 12.520 9.913 -12.338 1.00 0.00 H new ATOM 0 HA ILE A 78 12.365 8.279 -9.971 1.00 0.00 H new ATOM 0 HB ILE A 78 11.100 8.021 -12.635 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.985 8.541 -11.224 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.081 9.050 -9.954 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.558 6.382 -11.381 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.241 5.805 -11.404 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.585 6.576 -9.941 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.257 10.975 -11.224 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.015 10.795 -11.440 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.902 10.278 -12.730 1.00 0.00 H new ATOM 1216 N ALA A 79 14.458 6.878 -10.553 1.00 0.00 N ATOM 1217 CA ALA A 79 15.551 5.927 -10.761 1.00 0.00 C ATOM 1218 C ALA A 79 15.123 4.460 -10.565 1.00 0.00 C ATOM 1219 O ALA A 79 15.932 3.609 -10.187 1.00 0.00 O ATOM 1220 CB ALA A 79 16.725 6.321 -9.853 1.00 0.00 C ATOM 0 H ALA A 79 14.500 7.330 -9.640 1.00 0.00 H new ATOM 0 HA ALA A 79 15.866 5.983 -11.803 1.00 0.00 H new ATOM 0 HB1 ALA A 79 17.548 5.621 -9.997 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.058 7.328 -10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 79 16.404 6.294 -8.812 1.00 0.00 H new ATOM 1226 N MET A 80 13.845 4.166 -10.797 1.00 0.00 N ATOM 1227 CA MET A 80 13.322 2.800 -10.821 1.00 0.00 C ATOM 1228 C MET A 80 13.791 2.101 -12.107 1.00 0.00 C ATOM 1229 O MET A 80 14.064 2.797 -13.095 1.00 0.00 O ATOM 1230 CB MET A 80 11.785 2.819 -10.778 1.00 0.00 C ATOM 1231 CG MET A 80 11.247 3.333 -9.437 1.00 0.00 C ATOM 1232 SD MET A 80 9.443 3.512 -9.350 1.00 0.00 S ATOM 1233 CE MET A 80 8.905 1.779 -9.387 1.00 0.00 C ATOM 0 H MET A 80 13.135 4.877 -10.976 1.00 0.00 H new ATOM 0 HA MET A 80 13.692 2.260 -9.950 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.409 3.450 -11.584 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.406 1.813 -10.957 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.567 2.651 -8.649 1.00 0.00 H new ATOM 0 HG3 MET A 80 11.703 4.300 -9.227 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.821 1.732 -9.286 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.201 1.326 -10.333 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.369 1.236 -8.564 1.00 0.00 H new ATOM 1243 N PRO A 81 13.853 0.754 -12.131 1.00 0.00 N ATOM 1244 CA PRO A 81 14.049 -0.022 -13.354 1.00 0.00 C ATOM 1245 C PRO A 81 13.023 0.350 -14.430 1.00 0.00 C ATOM 1246 O PRO A 81 11.915 0.803 -14.112 1.00 0.00 O ATOM 1247 CB PRO A 81 13.899 -1.494 -12.948 1.00 0.00 C ATOM 1248 CG PRO A 81 14.241 -1.494 -11.461 1.00 0.00 C ATOM 1249 CD PRO A 81 13.715 -0.141 -10.990 1.00 0.00 C ATOM 0 HA PRO A 81 15.028 0.180 -13.788 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.887 -1.858 -13.126 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.573 -2.137 -13.514 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.760 -2.319 -10.936 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.314 -1.591 -11.293 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.675 -0.214 -10.673 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.284 0.224 -10.135 1.00 0.00 H new ATOM 1257 N LYS A 82 13.363 0.129 -15.704 1.00 0.00 N ATOM 1258 CA LYS A 82 12.534 0.539 -16.830 1.00 0.00 C ATOM 1259 C LYS A 82 12.390 -0.601 -17.830 1.00 0.00 C ATOM 1260 O LYS A 82 13.245 -1.485 -17.914 1.00 0.00 O ATOM 1261 CB LYS A 82 13.118 1.812 -17.477 1.00 0.00 C ATOM 1262 CG LYS A 82 13.088 2.983 -16.482 1.00 0.00 C ATOM 1263 CD LYS A 82 13.664 4.291 -17.029 1.00 0.00 C ATOM 1264 CE LYS A 82 13.566 5.403 -15.969 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.378 5.141 -14.753 1.00 0.00 N ATOM 0 H LYS A 82 14.225 -0.341 -15.979 1.00 0.00 H new ATOM 0 HA LYS A 82 11.532 0.779 -16.474 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.143 1.626 -17.799 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.546 2.069 -18.368 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.057 3.155 -16.173 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.645 2.700 -15.589 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.705 4.145 -17.318 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.123 4.587 -17.927 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.886 6.346 -16.413 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.522 5.526 -15.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.187 5.876 -14.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.129 4.210 -14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.388 5.154 -15.001 1.00 0.00 H new ATOM 1279 N VAL A 83 11.297 -0.560 -18.582 1.00 0.00 N ATOM 1280 CA VAL A 83 10.889 -1.521 -19.604 1.00 0.00 C ATOM 1281 C VAL A 83 10.478 -0.678 -20.827 1.00 0.00 C ATOM 1282 O VAL A 83 10.498 0.554 -20.755 1.00 0.00 O ATOM 1283 CB VAL A 83 9.785 -2.440 -19.010 1.00 0.00 C ATOM 1284 CG1 VAL A 83 9.219 -3.478 -19.993 1.00 0.00 C ATOM 1285 CG2 VAL A 83 10.317 -3.228 -17.798 1.00 0.00 C ATOM 0 H VAL A 83 10.623 0.200 -18.488 1.00 0.00 H new ATOM 0 HA VAL A 83 11.671 -2.209 -19.927 1.00 0.00 H new ATOM 0 HB VAL A 83 8.987 -1.749 -18.738 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.456 -4.074 -19.493 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.777 -2.966 -20.848 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.022 -4.130 -20.336 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.525 -3.863 -17.401 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.158 -3.848 -18.108 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.644 -2.531 -17.026 1.00 0.00 H new ATOM 1295 N LYS A 84 10.171 -1.295 -21.971 1.00 0.00 N ATOM 1296 CA LYS A 84 9.914 -0.594 -23.230 1.00 0.00 C ATOM 1297 C LYS A 84 8.552 -1.018 -23.772 1.00 0.00 C ATOM 1298 O LYS A 84 8.159 -2.178 -23.612 1.00 0.00 O ATOM 1299 CB LYS A 84 11.016 -0.917 -24.255 1.00 0.00 C ATOM 1300 CG LYS A 84 12.434 -0.610 -23.748 1.00 0.00 C ATOM 1301 CD LYS A 84 13.482 -0.853 -24.845 1.00 0.00 C ATOM 1302 CE LYS A 84 14.899 -0.509 -24.361 1.00 0.00 C ATOM 1303 NZ LYS A 84 15.202 0.941 -24.454 1.00 0.00 N ATOM 0 H LYS A 84 10.093 -2.309 -22.049 1.00 0.00 H new ATOM 0 HA LYS A 84 9.915 0.481 -23.051 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.955 -1.972 -24.522 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.833 -0.346 -25.166 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.487 0.426 -23.414 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.657 -1.235 -22.884 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.447 -1.897 -25.157 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.240 -0.250 -25.720 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.014 -0.834 -23.327 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.625 -1.066 -24.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.009 1.167 -23.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.438 1.184 -25.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.372 1.489 -24.151 1.00 0.00 H new ATOM 1317 N GLY A 85 7.858 -0.085 -24.426 1.00 0.00 N ATOM 1318 CA GLY A 85 6.616 -0.352 -25.139 1.00 0.00 C ATOM 1319 C GLY A 85 6.831 -1.449 -26.177 1.00 0.00 C ATOM 1320 O GLY A 85 7.839 -1.391 -26.912 1.00 0.00 O ATOM 1321 OXT GLY A 85 5.985 -2.361 -26.262 1.00 0.00 O ATOM 0 H GLY A 85 8.151 0.891 -24.474 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.841 -0.654 -24.434 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.265 0.557 -25.627 1.00 0.00 H new TER 1325 GLY A 85