USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 917 hydrogens (30 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 82 THR OG1 : rot -105:sc= -0.495 USER MOD Set 1.2: A 84 ASN : amide:sc= -0.67 X(o=-1.2,f=-1.4) USER MOD Set 2.1: A 70 GLN : amide:sc= -2.58! C(o=-2.5!,f=-2.7!) USER MOD Set 2.2: A 74 THR OG1 : rot 85:sc= 0.0369 USER MOD Set 2.3: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 18 ASN : amide:sc= 0 K(o=-0.056,f=-1!) USER MOD Set 3.2: A 23 THR OG1 : rot 20:sc= -0.0558 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.258 X(o=0.26,f=-0.0087) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.122) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.23! C(o=-1.2!,f=-6.6!) USER MOD Single : A 28 ASN : amide:sc= -0.0822 X(o=-0.082,f=0) USER MOD Single : A 29 SER OG : rot -88:sc= 0.914 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.406 K(o=-0.41,f=-1.3!) USER MOD Single : A 38 ASN : amide:sc= -0.651 X(o=-0.65,f=-0.56) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.82! C(o=-1.8!,f=-5.9!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -67:sc= 0.853 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -139:sc= -0.462 (180deg=-1.9) USER MOD Single : A 83 ASN : amide:sc= -5.63! C(o=-5.6!,f=-2.3!) USER MOD Single : A 86 THR OG1 : rot -86:sc= 0.936 USER MOD Single : A 87 HIS : no HE2:sc= -3.98 X(o=-4,f=-4.1!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 106 ASN : amide:sc= -0.444 X(o=-0.44,f=-0.37) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -1.02 K(o=-1,f=-4.6!) USER MOD Single : A 109 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.65) USER MOD Single : A 110 ASN : amide:sc= -1.25! C(o=-1.3!,f=-6.7!) USER MOD Single : A 111 SER OG : rot 180:sc= 0.0601 USER MOD Single : A 112 LYS NZ :NH3+ -161:sc= -0.0481 (180deg=-0.594) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.884 10.154 -26.157 1.00 1.00 N ATOM 2 CA MET A 1 9.302 8.788 -25.735 1.00 1.00 C ATOM 3 C MET A 1 10.087 8.877 -24.431 1.00 1.00 C ATOM 4 O MET A 1 11.195 8.351 -24.325 1.00 1.00 O ATOM 5 CB MET A 1 10.175 8.164 -26.828 1.00 1.00 C ATOM 6 CG MET A 1 10.630 6.772 -26.385 1.00 1.00 C ATOM 7 SD MET A 1 10.379 5.596 -27.736 1.00 1.00 S ATOM 8 CE MET A 1 11.218 4.187 -26.971 1.00 1.00 C ATOM 0 H1 MET A 1 8.348 10.094 -27.046 1.00 1.00 H new ATOM 0 H2 MET A 1 8.285 10.577 -25.420 1.00 1.00 H new ATOM 0 H3 MET A 1 9.727 10.746 -26.300 1.00 1.00 H new ATOM 0 HA MET A 1 8.421 8.166 -25.580 1.00 1.00 H new ATOM 0 HB2 MET A 1 9.615 8.095 -27.761 1.00 1.00 H new ATOM 0 HB3 MET A 1 11.041 8.797 -27.022 1.00 1.00 H new ATOM 0 HG2 MET A 1 11.682 6.795 -26.100 1.00 1.00 H new ATOM 0 HG3 MET A 1 10.068 6.457 -25.506 1.00 1.00 H new ATOM 0 HE1 MET A 1 11.182 3.332 -27.646 1.00 1.00 H new ATOM 0 HE2 MET A 1 12.257 4.448 -26.770 1.00 1.00 H new ATOM 0 HE3 MET A 1 10.721 3.931 -26.035 1.00 1.00 H new ATOM 20 N ASP A 2 9.506 9.548 -23.441 1.00 1.00 N ATOM 21 CA ASP A 2 10.160 9.701 -22.147 1.00 1.00 C ATOM 22 C ASP A 2 9.891 8.481 -21.268 1.00 1.00 C ATOM 23 O ASP A 2 8.952 7.723 -21.517 1.00 1.00 O ATOM 24 CB ASP A 2 9.642 10.961 -21.451 1.00 1.00 C ATOM 25 CG ASP A 2 10.730 12.028 -21.422 1.00 1.00 C ATOM 26 OD1 ASP A 2 11.155 12.444 -22.488 1.00 1.00 O ATOM 27 OD2 ASP A 2 11.121 12.417 -20.334 1.00 1.00 O ATOM 0 H ASP A 2 8.590 9.991 -23.509 1.00 1.00 H new ATOM 0 HA ASP A 2 11.235 9.790 -22.306 1.00 1.00 H new ATOM 0 HB2 ASP A 2 8.764 11.340 -21.974 1.00 1.00 H new ATOM 0 HB3 ASP A 2 9.329 10.722 -20.435 1.00 1.00 H new ATOM 32 N PRO A 3 10.687 8.282 -20.248 1.00 1.00 N ATOM 33 CA PRO A 3 10.523 7.126 -19.316 1.00 1.00 C ATOM 34 C PRO A 3 9.273 7.266 -18.450 1.00 1.00 C ATOM 35 O PRO A 3 8.810 6.295 -17.851 1.00 1.00 O ATOM 36 CB PRO A 3 11.789 7.163 -18.458 1.00 1.00 C ATOM 37 CG PRO A 3 12.271 8.574 -18.518 1.00 1.00 C ATOM 38 CD PRO A 3 11.830 9.130 -19.873 1.00 1.00 C ATOM 0 HA PRO A 3 10.397 6.184 -19.850 1.00 1.00 H new ATOM 0 HB2 PRO A 3 11.576 6.864 -17.432 1.00 1.00 H new ATOM 0 HB3 PRO A 3 12.542 6.474 -18.840 1.00 1.00 H new ATOM 0 HG2 PRO A 3 11.850 9.162 -17.702 1.00 1.00 H new ATOM 0 HG3 PRO A 3 13.355 8.618 -18.416 1.00 1.00 H new ATOM 0 HD2 PRO A 3 11.542 10.179 -19.800 1.00 1.00 H new ATOM 0 HD3 PRO A 3 12.631 9.070 -20.610 1.00 1.00 H new ATOM 46 N GLU A 4 8.735 8.479 -18.391 1.00 1.00 N ATOM 47 CA GLU A 4 7.537 8.735 -17.598 1.00 1.00 C ATOM 48 C GLU A 4 6.300 8.197 -18.310 1.00 1.00 C ATOM 49 O GLU A 4 5.434 7.579 -17.690 1.00 1.00 O ATOM 50 CB GLU A 4 7.380 10.238 -17.362 1.00 1.00 C ATOM 51 CG GLU A 4 8.167 10.645 -16.115 1.00 1.00 C ATOM 52 CD GLU A 4 8.198 12.164 -15.992 1.00 1.00 C ATOM 53 OE1 GLU A 4 8.570 12.809 -16.958 1.00 1.00 O ATOM 54 OE2 GLU A 4 7.850 12.661 -14.934 1.00 1.00 O ATOM 0 H GLU A 4 9.105 9.295 -18.878 1.00 1.00 H new ATOM 0 HA GLU A 4 7.641 8.226 -16.640 1.00 1.00 H new ATOM 0 HB2 GLU A 4 7.740 10.792 -18.229 1.00 1.00 H new ATOM 0 HB3 GLU A 4 6.327 10.489 -17.238 1.00 1.00 H new ATOM 0 HG2 GLU A 4 7.709 10.209 -15.227 1.00 1.00 H new ATOM 0 HG3 GLU A 4 9.183 10.256 -16.173 1.00 1.00 H new ATOM 61 N LEU A 5 6.224 8.439 -19.614 1.00 1.00 N ATOM 62 CA LEU A 5 5.087 7.978 -20.404 1.00 1.00 C ATOM 63 C LEU A 5 5.113 6.458 -20.550 1.00 1.00 C ATOM 64 O LEU A 5 4.078 5.829 -20.767 1.00 1.00 O ATOM 65 CB LEU A 5 5.118 8.624 -21.791 1.00 1.00 C ATOM 66 CG LEU A 5 4.569 10.049 -21.700 1.00 1.00 C ATOM 67 CD1 LEU A 5 5.334 10.953 -22.669 1.00 1.00 C ATOM 68 CD2 LEU A 5 3.085 10.047 -22.072 1.00 1.00 C ATOM 0 H LEU A 5 6.931 8.948 -20.144 1.00 1.00 H new ATOM 0 HA LEU A 5 4.171 8.266 -19.888 1.00 1.00 H new ATOM 0 HB2 LEU A 5 6.138 8.639 -22.174 1.00 1.00 H new ATOM 0 HB3 LEU A 5 4.523 8.037 -22.491 1.00 1.00 H new ATOM 0 HG LEU A 5 4.690 10.421 -20.683 1.00 1.00 H new ATOM 0 HD11 LEU A 5 4.943 11.969 -22.605 1.00 1.00 H new ATOM 0 HD12 LEU A 5 6.392 10.954 -22.407 1.00 1.00 H new ATOM 0 HD13 LEU A 5 5.212 10.581 -23.686 1.00 1.00 H new ATOM 0 HD21 LEU A 5 2.692 11.062 -22.008 1.00 1.00 H new ATOM 0 HD22 LEU A 5 2.966 9.676 -23.090 1.00 1.00 H new ATOM 0 HD23 LEU A 5 2.538 9.402 -21.384 1.00 1.00 H new ATOM 80 N GLN A 6 6.303 5.878 -20.432 1.00 1.00 N ATOM 81 CA GLN A 6 6.449 4.432 -20.556 1.00 1.00 C ATOM 82 C GLN A 6 5.678 3.714 -19.453 1.00 1.00 C ATOM 83 O GLN A 6 4.856 2.840 -19.729 1.00 1.00 O ATOM 84 CB GLN A 6 7.930 4.049 -20.477 1.00 1.00 C ATOM 85 CG GLN A 6 8.071 2.531 -20.604 1.00 1.00 C ATOM 86 CD GLN A 6 9.466 2.177 -21.107 1.00 1.00 C ATOM 87 OE1 GLN A 6 9.633 1.816 -22.271 1.00 1.00 O ATOM 88 NE2 GLN A 6 10.484 2.261 -20.294 1.00 1.00 N ATOM 0 H GLN A 6 7.172 6.381 -20.253 1.00 1.00 H new ATOM 0 HA GLN A 6 6.043 4.128 -21.521 1.00 1.00 H new ATOM 0 HB2 GLN A 6 8.488 4.545 -21.272 1.00 1.00 H new ATOM 0 HB3 GLN A 6 8.354 4.387 -19.531 1.00 1.00 H new ATOM 0 HG2 GLN A 6 7.893 2.059 -19.638 1.00 1.00 H new ATOM 0 HG3 GLN A 6 7.319 2.144 -21.291 1.00 1.00 H new ATOM 0 HE21 GLN A 6 10.343 2.561 -19.329 1.00 1.00 H new ATOM 0 HE22 GLN A 6 11.421 2.027 -20.624 1.00 1.00 H new ATOM 97 N CYS A 7 5.949 4.086 -18.206 1.00 1.00 N ATOM 98 CA CYS A 7 5.273 3.465 -17.072 1.00 1.00 C ATOM 99 C CYS A 7 3.765 3.694 -17.153 1.00 1.00 C ATOM 100 O CYS A 7 2.977 2.851 -16.725 1.00 1.00 O ATOM 101 CB CYS A 7 5.807 4.046 -15.761 1.00 1.00 C ATOM 102 SG CYS A 7 7.617 4.043 -15.790 1.00 1.00 S ATOM 0 H CYS A 7 6.625 4.807 -17.956 1.00 1.00 H new ATOM 0 HA CYS A 7 5.469 2.393 -17.102 1.00 1.00 H new ATOM 0 HB2 CYS A 7 5.437 5.062 -15.624 1.00 1.00 H new ATOM 0 HB3 CYS A 7 5.446 3.459 -14.917 1.00 1.00 H new ATOM 107 N ILE A 8 3.374 4.840 -17.700 1.00 1.00 N ATOM 108 CA ILE A 8 1.959 5.169 -17.829 1.00 1.00 C ATOM 109 C ILE A 8 1.262 4.201 -18.778 1.00 1.00 C ATOM 110 O ILE A 8 0.092 3.869 -18.591 1.00 1.00 O ATOM 111 CB ILE A 8 1.799 6.597 -18.348 1.00 1.00 C ATOM 112 CG1 ILE A 8 1.985 7.585 -17.193 1.00 1.00 C ATOM 113 CG2 ILE A 8 0.402 6.770 -18.946 1.00 1.00 C ATOM 114 CD1 ILE A 8 2.136 9.001 -17.751 1.00 1.00 C ATOM 0 H ILE A 8 4.011 5.551 -18.059 1.00 1.00 H new ATOM 0 HA ILE A 8 1.499 5.086 -16.844 1.00 1.00 H new ATOM 0 HB ILE A 8 2.549 6.789 -19.115 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.130 7.538 -16.519 1.00 1.00 H new ATOM 0 HG13 ILE A 8 2.866 7.317 -16.610 1.00 1.00 H new ATOM 0 HG21 ILE A 8 0.288 7.789 -19.316 1.00 1.00 H new ATOM 0 HG22 ILE A 8 0.269 6.068 -19.769 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -0.348 6.577 -18.179 1.00 1.00 H new ATOM 0 HD11 ILE A 8 2.268 9.704 -16.929 1.00 1.00 H new ATOM 0 HD12 ILE A 8 3.005 9.043 -18.407 1.00 1.00 H new ATOM 0 HD13 ILE A 8 1.242 9.267 -18.315 1.00 1.00 H new ATOM 126 N ARG A 9 1.987 3.752 -19.797 1.00 1.00 N ATOM 127 CA ARG A 9 1.424 2.823 -20.770 1.00 1.00 C ATOM 128 C ARG A 9 1.238 1.442 -20.149 1.00 1.00 C ATOM 129 O ARG A 9 0.305 0.717 -20.496 1.00 1.00 O ATOM 130 CB ARG A 9 2.348 2.718 -21.985 1.00 1.00 C ATOM 131 CG ARG A 9 1.766 1.718 -22.987 1.00 1.00 C ATOM 132 CD ARG A 9 2.463 1.888 -24.338 1.00 1.00 C ATOM 133 NE ARG A 9 3.888 2.130 -24.143 1.00 1.00 N ATOM 134 CZ ARG A 9 4.745 1.125 -24.003 1.00 1.00 C ATOM 135 NH1 ARG A 9 4.317 -0.108 -24.043 1.00 1.00 N ATOM 136 NH2 ARG A 9 6.015 1.369 -23.827 1.00 1.00 N ATOM 0 H ARG A 9 2.958 4.014 -19.970 1.00 1.00 H new ATOM 0 HA ARG A 9 0.451 3.201 -21.084 1.00 1.00 H new ATOM 0 HB2 ARG A 9 2.461 3.695 -22.455 1.00 1.00 H new ATOM 0 HB3 ARG A 9 3.342 2.398 -21.672 1.00 1.00 H new ATOM 0 HG2 ARG A 9 1.901 0.700 -22.621 1.00 1.00 H new ATOM 0 HG3 ARG A 9 0.693 1.878 -23.096 1.00 1.00 H new ATOM 0 HD2 ARG A 9 2.318 0.994 -24.945 1.00 1.00 H new ATOM 0 HD3 ARG A 9 2.017 2.720 -24.883 1.00 1.00 H new ATOM 0 HE ARG A 9 4.233 3.089 -24.114 1.00 1.00 H new ATOM 0 HH11 ARG A 9 3.325 -0.299 -24.182 1.00 1.00 H new ATOM 0 HH12 ARG A 9 4.975 -0.880 -23.936 1.00 1.00 H new ATOM 0 HH21 ARG A 9 6.350 2.332 -23.797 1.00 1.00 H new ATOM 0 HH22 ARG A 9 6.673 0.597 -23.720 1.00 1.00 H new ATOM 150 N GLU A 10 2.126 1.088 -19.227 1.00 1.00 N ATOM 151 CA GLU A 10 2.044 -0.206 -18.561 1.00 1.00 C ATOM 152 C GLU A 10 0.870 -0.231 -17.588 1.00 1.00 C ATOM 153 O GLU A 10 0.095 -1.186 -17.557 1.00 1.00 O ATOM 154 CB GLU A 10 3.343 -0.488 -17.803 1.00 1.00 C ATOM 155 CG GLU A 10 4.529 -0.381 -18.767 1.00 1.00 C ATOM 156 CD GLU A 10 5.699 -1.212 -18.249 1.00 1.00 C ATOM 157 OE1 GLU A 10 5.644 -1.631 -17.105 1.00 1.00 O ATOM 158 OE2 GLU A 10 6.634 -1.416 -19.006 1.00 1.00 O ATOM 0 H GLU A 10 2.905 1.674 -18.926 1.00 1.00 H new ATOM 0 HA GLU A 10 1.892 -0.975 -19.318 1.00 1.00 H new ATOM 0 HB2 GLU A 10 3.461 0.222 -16.984 1.00 1.00 H new ATOM 0 HB3 GLU A 10 3.309 -1.483 -17.360 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.236 -0.729 -19.758 1.00 1.00 H new ATOM 0 HG3 GLU A 10 4.831 0.661 -18.871 1.00 1.00 H new ATOM 165 N CYS A 11 0.750 0.827 -16.794 1.00 1.00 N ATOM 166 CA CYS A 11 -0.332 0.921 -15.819 1.00 1.00 C ATOM 167 C CYS A 11 -1.679 0.679 -16.490 1.00 1.00 C ATOM 168 O CYS A 11 -2.540 -0.012 -15.943 1.00 1.00 O ATOM 169 CB CYS A 11 -0.327 2.303 -15.163 1.00 1.00 C ATOM 170 SG CYS A 11 0.828 2.312 -13.768 1.00 1.00 S ATOM 0 H CYS A 11 1.383 1.627 -16.805 1.00 1.00 H new ATOM 0 HA CYS A 11 -0.176 0.158 -15.057 1.00 1.00 H new ATOM 0 HB2 CYS A 11 -0.039 3.061 -15.891 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -1.330 2.557 -14.819 1.00 1.00 H new ATOM 175 N ARG A 12 -1.857 1.250 -17.675 1.00 1.00 N ATOM 176 CA ARG A 12 -3.106 1.090 -18.410 1.00 1.00 C ATOM 177 C ARG A 12 -3.240 -0.335 -18.938 1.00 1.00 C ATOM 178 O ARG A 12 -4.325 -0.917 -18.911 1.00 1.00 O ATOM 179 CB ARG A 12 -3.154 2.078 -19.580 1.00 1.00 C ATOM 180 CG ARG A 12 -4.216 3.147 -19.308 1.00 1.00 C ATOM 181 CD ARG A 12 -5.609 2.511 -19.325 1.00 1.00 C ATOM 182 NE ARG A 12 -6.432 3.124 -20.360 1.00 1.00 N ATOM 183 CZ ARG A 12 -6.387 2.698 -21.618 1.00 1.00 C ATOM 184 NH1 ARG A 12 -5.592 1.717 -21.946 1.00 1.00 N ATOM 185 NH2 ARG A 12 -7.137 3.261 -22.525 1.00 1.00 N ATOM 0 H ARG A 12 -1.158 1.824 -18.145 1.00 1.00 H new ATOM 0 HA ARG A 12 -3.934 1.291 -17.730 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -2.179 2.546 -19.714 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -3.384 1.550 -20.505 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -4.033 3.617 -18.342 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -4.156 3.933 -20.061 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -5.525 1.439 -19.505 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -6.085 2.634 -18.352 1.00 1.00 H new ATOM 0 HE ARG A 12 -7.054 3.894 -20.114 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -5.005 1.277 -21.237 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -5.557 1.390 -22.911 1.00 1.00 H new ATOM 0 HH21 ARG A 12 -7.758 4.028 -22.269 1.00 1.00 H new ATOM 0 HH22 ARG A 12 -7.102 2.934 -23.490 1.00 1.00 H new ATOM 199 N LEU A 13 -2.131 -0.892 -19.415 1.00 1.00 N ATOM 200 CA LEU A 13 -2.139 -2.250 -19.945 1.00 1.00 C ATOM 201 C LEU A 13 -2.467 -3.249 -18.840 1.00 1.00 C ATOM 202 O LEU A 13 -3.230 -4.193 -19.047 1.00 1.00 O ATOM 203 CB LEU A 13 -0.770 -2.581 -20.552 1.00 1.00 C ATOM 204 CG LEU A 13 -0.818 -3.946 -21.252 1.00 1.00 C ATOM 205 CD1 LEU A 13 -1.781 -3.898 -22.443 1.00 1.00 C ATOM 206 CD2 LEU A 13 0.583 -4.306 -21.752 1.00 1.00 C ATOM 0 H LEU A 13 -1.223 -0.428 -19.445 1.00 1.00 H new ATOM 0 HA LEU A 13 -2.903 -2.318 -20.719 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -0.484 -1.808 -21.265 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -0.010 -2.591 -19.771 1.00 1.00 H new ATOM 0 HG LEU A 13 -1.166 -4.697 -20.543 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -1.806 -4.873 -22.931 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -2.781 -3.642 -22.092 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -1.442 -3.145 -23.154 1.00 1.00 H new ATOM 0 HD21 LEU A 13 0.554 -5.275 -22.250 1.00 1.00 H new ATOM 0 HD22 LEU A 13 0.925 -3.547 -22.455 1.00 1.00 H new ATOM 0 HD23 LEU A 13 1.270 -4.353 -20.907 1.00 1.00 H new ATOM 218 N ALA A 14 -1.886 -3.033 -17.664 1.00 1.00 N ATOM 219 CA ALA A 14 -2.122 -3.919 -16.530 1.00 1.00 C ATOM 220 C ALA A 14 -3.559 -3.784 -16.036 1.00 1.00 C ATOM 221 O ALA A 14 -4.121 -4.719 -15.465 1.00 1.00 O ATOM 222 CB ALA A 14 -1.155 -3.583 -15.394 1.00 1.00 C ATOM 0 H ALA A 14 -1.252 -2.257 -17.472 1.00 1.00 H new ATOM 0 HA ALA A 14 -1.956 -4.946 -16.854 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -1.338 -4.249 -14.551 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -0.129 -3.709 -15.740 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.307 -2.550 -15.080 1.00 1.00 H new ATOM 228 N GLN A 15 -4.148 -2.613 -16.260 1.00 1.00 N ATOM 229 CA GLN A 15 -5.520 -2.364 -15.834 1.00 1.00 C ATOM 230 C GLN A 15 -6.507 -3.001 -16.807 1.00 1.00 C ATOM 231 O GLN A 15 -7.551 -3.512 -16.403 1.00 1.00 O ATOM 232 CB GLN A 15 -5.779 -0.859 -15.753 1.00 1.00 C ATOM 233 CG GLN A 15 -5.269 -0.324 -14.413 1.00 1.00 C ATOM 234 CD GLN A 15 -5.276 1.201 -14.425 1.00 1.00 C ATOM 235 OE1 GLN A 15 -6.311 1.820 -14.174 1.00 1.00 O ATOM 236 NE2 GLN A 15 -4.178 1.847 -14.704 1.00 1.00 N ATOM 0 H GLN A 15 -3.700 -1.827 -16.731 1.00 1.00 H new ATOM 0 HA GLN A 15 -5.660 -2.809 -14.849 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -5.277 -0.348 -16.575 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -6.845 -0.657 -15.855 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -5.897 -0.693 -13.602 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -4.259 -0.690 -14.226 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -3.322 1.332 -14.911 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -4.175 2.867 -14.715 1.00 1.00 H new ATOM 245 N LEU A 16 -6.168 -2.965 -18.092 1.00 1.00 N ATOM 246 CA LEU A 16 -7.031 -3.540 -19.117 1.00 1.00 C ATOM 247 C LEU A 16 -6.795 -5.042 -19.237 1.00 1.00 C ATOM 248 O LEU A 16 -5.831 -5.576 -18.686 1.00 1.00 O ATOM 249 CB LEU A 16 -6.759 -2.870 -20.465 1.00 1.00 C ATOM 250 CG LEU A 16 -8.020 -2.149 -20.944 1.00 1.00 C ATOM 251 CD1 LEU A 16 -8.372 -1.029 -19.966 1.00 1.00 C ATOM 252 CD2 LEU A 16 -7.768 -1.552 -22.331 1.00 1.00 C ATOM 0 H LEU A 16 -5.308 -2.547 -18.446 1.00 1.00 H new ATOM 0 HA LEU A 16 -8.068 -3.369 -18.829 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -5.936 -2.161 -20.371 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -6.454 -3.616 -21.198 1.00 1.00 H new ATOM 0 HG LEU A 16 -8.846 -2.858 -20.995 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -9.271 -0.516 -20.308 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -8.550 -1.452 -18.977 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -7.547 -0.319 -19.914 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -8.666 -1.038 -22.674 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -6.942 -0.843 -22.277 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -7.517 -2.350 -23.030 1.00 1.00 H new ATOM 264 N LYS A 17 -7.679 -5.719 -19.962 1.00 1.00 N ATOM 265 CA LYS A 17 -7.558 -7.161 -20.150 1.00 1.00 C ATOM 266 C LYS A 17 -7.151 -7.839 -18.845 1.00 1.00 C ATOM 267 O LYS A 17 -5.964 -7.977 -18.550 1.00 1.00 O ATOM 268 CB LYS A 17 -6.515 -7.462 -21.230 1.00 1.00 C ATOM 269 CG LYS A 17 -7.195 -7.500 -22.600 1.00 1.00 C ATOM 270 CD LYS A 17 -7.884 -6.161 -22.868 1.00 1.00 C ATOM 271 CE LYS A 17 -8.217 -6.045 -24.357 1.00 1.00 C ATOM 272 NZ LYS A 17 -9.196 -7.105 -24.732 1.00 1.00 N ATOM 0 H LYS A 17 -8.483 -5.296 -20.427 1.00 1.00 H new ATOM 0 HA LYS A 17 -8.527 -7.550 -20.462 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -5.736 -6.700 -21.220 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -6.030 -8.417 -21.026 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -6.458 -7.703 -23.377 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -7.925 -8.309 -22.633 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -8.795 -6.084 -22.274 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -7.235 -5.339 -22.565 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -8.631 -5.060 -24.572 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -7.310 -6.146 -24.952 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -9.538 -6.935 -25.699 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -8.734 -8.036 -24.686 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -10.000 -7.085 -24.072 1.00 1.00 H new ATOM 286 N ASN A 18 -8.144 -8.259 -18.069 1.00 1.00 N ATOM 287 CA ASN A 18 -7.880 -8.923 -16.798 1.00 1.00 C ATOM 288 C ASN A 18 -8.067 -10.430 -16.931 1.00 1.00 C ATOM 289 O ASN A 18 -9.090 -10.897 -17.436 1.00 1.00 O ATOM 290 CB ASN A 18 -8.823 -8.383 -15.721 1.00 1.00 C ATOM 291 CG ASN A 18 -8.107 -8.339 -14.375 1.00 1.00 C ATOM 292 OD1 ASN A 18 -8.283 -9.233 -13.547 1.00 1.00 O ATOM 293 ND2 ASN A 18 -7.302 -7.348 -14.106 1.00 1.00 N ATOM 0 H ASN A 18 -9.133 -8.153 -18.296 1.00 1.00 H new ATOM 0 HA ASN A 18 -6.848 -8.721 -16.512 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -9.165 -7.384 -15.993 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -9.708 -9.015 -15.651 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -6.818 -7.313 -13.209 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -7.157 -6.608 -14.793 1.00 1.00 H new ATOM 300 N ASN A 19 -7.076 -11.189 -16.475 1.00 1.00 N ATOM 301 CA ASN A 19 -7.143 -12.644 -16.549 1.00 1.00 C ATOM 302 C ASN A 19 -8.430 -13.154 -15.909 1.00 1.00 C ATOM 303 O ASN A 19 -9.408 -13.436 -16.602 1.00 1.00 O ATOM 304 CB ASN A 19 -5.938 -13.259 -15.837 1.00 1.00 C ATOM 305 CG ASN A 19 -4.823 -13.536 -16.840 1.00 1.00 C ATOM 306 OD1 ASN A 19 -4.420 -12.642 -17.585 1.00 1.00 O ATOM 307 ND2 ASN A 19 -4.299 -14.730 -16.906 1.00 1.00 N ATOM 0 H ASN A 19 -6.222 -10.824 -16.053 1.00 1.00 H new ATOM 0 HA ASN A 19 -7.132 -12.937 -17.599 1.00 1.00 H new ATOM 0 HB2 ASN A 19 -5.580 -12.583 -15.061 1.00 1.00 H new ATOM 0 HB3 ASN A 19 -6.231 -14.185 -15.342 1.00 1.00 H new ATOM 0 HD21 ASN A 19 -3.554 -14.924 -17.576 1.00 1.00 H new ATOM 0 HD22 ASN A 19 -4.634 -15.469 -16.288 1.00 1.00 H new ATOM 314 N SER A 20 -8.421 -13.270 -14.586 1.00 1.00 N ATOM 315 CA SER A 20 -9.594 -13.748 -13.863 1.00 1.00 C ATOM 316 C SER A 20 -10.546 -12.594 -13.564 1.00 1.00 C ATOM 317 O SER A 20 -10.118 -11.452 -13.388 1.00 1.00 O ATOM 318 CB SER A 20 -9.167 -14.411 -12.554 1.00 1.00 C ATOM 319 OG SER A 20 -8.941 -13.410 -11.572 1.00 1.00 O ATOM 0 H SER A 20 -7.621 -13.042 -13.996 1.00 1.00 H new ATOM 0 HA SER A 20 -10.110 -14.477 -14.488 1.00 1.00 H new ATOM 0 HB2 SER A 20 -9.939 -15.102 -12.214 1.00 1.00 H new ATOM 0 HB3 SER A 20 -8.261 -14.996 -12.708 1.00 1.00 H new ATOM 0 HG SER A 20 -8.669 -13.833 -10.731 1.00 1.00 H new ATOM 325 N GLY A 21 -11.838 -12.898 -13.506 1.00 1.00 N ATOM 326 CA GLY A 21 -12.842 -11.878 -13.226 1.00 1.00 C ATOM 327 C GLY A 21 -12.668 -11.314 -11.819 1.00 1.00 C ATOM 328 O GLY A 21 -11.965 -11.892 -10.990 1.00 1.00 O ATOM 0 H GLY A 21 -12.213 -13.836 -13.648 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -12.762 -11.073 -13.957 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -13.839 -12.306 -13.330 1.00 1.00 H new ATOM 332 N GLY A 22 -13.313 -10.182 -11.558 1.00 1.00 N ATOM 333 CA GLY A 22 -13.222 -9.548 -10.248 1.00 1.00 C ATOM 334 C GLY A 22 -12.255 -8.375 -10.274 1.00 1.00 C ATOM 335 O GLY A 22 -12.333 -7.508 -11.145 1.00 1.00 O ATOM 0 H GLY A 22 -13.900 -9.688 -12.230 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -14.209 -9.203 -9.938 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -12.893 -10.278 -9.509 1.00 1.00 H new ATOM 339 N THR A 23 -11.343 -8.356 -9.311 1.00 1.00 N ATOM 340 CA THR A 23 -10.360 -7.288 -9.223 1.00 1.00 C ATOM 341 C THR A 23 -11.037 -5.924 -9.309 1.00 1.00 C ATOM 342 O THR A 23 -10.391 -4.915 -9.590 1.00 1.00 O ATOM 343 CB THR A 23 -9.334 -7.425 -10.351 1.00 1.00 C ATOM 344 OG1 THR A 23 -10.007 -7.444 -11.602 1.00 1.00 O ATOM 345 CG2 THR A 23 -8.548 -8.725 -10.172 1.00 1.00 C ATOM 0 H THR A 23 -11.265 -9.066 -8.583 1.00 1.00 H new ATOM 0 HA THR A 23 -9.853 -7.367 -8.261 1.00 1.00 H new ATOM 0 HB THR A 23 -8.646 -6.580 -10.322 1.00 1.00 H new ATOM 0 HG1 THR A 23 -10.898 -7.050 -11.500 1.00 1.00 H new ATOM 0 HG21 THR A 23 -7.818 -8.822 -10.975 1.00 1.00 H new ATOM 0 HG22 THR A 23 -8.032 -8.709 -9.212 1.00 1.00 H new ATOM 0 HG23 THR A 23 -9.234 -9.572 -10.201 1.00 1.00 H new ATOM 353 N ASN A 24 -12.343 -5.901 -9.065 1.00 1.00 N ATOM 354 CA ASN A 24 -13.100 -4.656 -9.117 1.00 1.00 C ATOM 355 C ASN A 24 -12.657 -3.808 -10.305 1.00 1.00 C ATOM 356 O ASN A 24 -12.305 -4.335 -11.360 1.00 1.00 O ATOM 357 CB ASN A 24 -12.897 -3.868 -7.822 1.00 1.00 C ATOM 358 CG ASN A 24 -14.116 -2.993 -7.546 1.00 1.00 C ATOM 359 OD1 ASN A 24 -14.771 -2.528 -8.478 1.00 1.00 O ATOM 360 ND2 ASN A 24 -14.460 -2.740 -6.313 1.00 1.00 N ATOM 0 H ASN A 24 -12.896 -6.725 -8.831 1.00 1.00 H new ATOM 0 HA ASN A 24 -14.156 -4.899 -9.233 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -12.736 -4.554 -6.991 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -12.004 -3.248 -7.900 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -15.273 -2.156 -6.120 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -13.915 -3.127 -5.542 1.00 1.00 H new ATOM 367 N GLY A 25 -12.675 -2.490 -10.125 1.00 1.00 N ATOM 368 CA GLY A 25 -12.272 -1.578 -11.189 1.00 1.00 C ATOM 369 C GLY A 25 -13.489 -1.027 -11.924 1.00 1.00 C ATOM 370 O GLY A 25 -13.376 -0.104 -12.729 1.00 1.00 O ATOM 0 H GLY A 25 -12.962 -2.033 -9.259 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -11.693 -0.756 -10.769 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -11.622 -2.098 -11.893 1.00 1.00 H new ATOM 374 N ASP A 26 -14.655 -1.602 -11.643 1.00 1.00 N ATOM 375 CA ASP A 26 -15.887 -1.162 -12.285 1.00 1.00 C ATOM 376 C ASP A 26 -17.104 -1.642 -11.498 1.00 1.00 C ATOM 377 O ASP A 26 -17.932 -0.840 -11.066 1.00 1.00 O ATOM 378 CB ASP A 26 -15.956 -1.702 -13.715 1.00 1.00 C ATOM 379 CG ASP A 26 -16.001 -0.546 -14.707 1.00 1.00 C ATOM 380 OD1 ASP A 26 -16.954 0.213 -14.659 1.00 1.00 O ATOM 381 OD2 ASP A 26 -15.082 -0.437 -15.503 1.00 1.00 O ATOM 0 H ASP A 26 -14.771 -2.368 -10.980 1.00 1.00 H new ATOM 0 HA ASP A 26 -15.891 -0.072 -12.309 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -15.090 -2.332 -13.917 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -16.840 -2.329 -13.834 1.00 1.00 H new ATOM 386 N ARG A 27 -17.202 -2.954 -11.316 1.00 1.00 N ATOM 387 CA ARG A 27 -18.320 -3.532 -10.580 1.00 1.00 C ATOM 388 C ARG A 27 -18.117 -3.363 -9.078 1.00 1.00 C ATOM 389 O ARG A 27 -17.336 -4.089 -8.462 1.00 1.00 O ATOM 390 CB ARG A 27 -18.456 -5.019 -10.915 1.00 1.00 C ATOM 391 CG ARG A 27 -19.570 -5.635 -10.068 1.00 1.00 C ATOM 392 CD ARG A 27 -20.169 -6.833 -10.806 1.00 1.00 C ATOM 393 NE ARG A 27 -20.859 -6.391 -12.012 1.00 1.00 N ATOM 394 CZ ARG A 27 -21.044 -7.215 -13.038 1.00 1.00 C ATOM 395 NH1 ARG A 27 -20.608 -8.443 -12.977 1.00 1.00 N ATOM 396 NH2 ARG A 27 -21.664 -6.797 -14.108 1.00 1.00 N ATOM 0 H ARG A 27 -16.526 -3.633 -11.665 1.00 1.00 H new ATOM 0 HA ARG A 27 -19.231 -3.010 -10.873 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -18.679 -5.145 -11.975 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -17.514 -5.533 -10.724 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -19.175 -5.950 -9.102 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -20.343 -4.893 -9.870 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -19.381 -7.539 -11.068 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -20.865 -7.360 -10.153 1.00 1.00 H new ATOM 0 HE ARG A 27 -21.205 -5.433 -12.069 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -20.125 -8.772 -12.141 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -20.751 -9.075 -13.765 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -22.007 -5.838 -14.157 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -21.806 -7.430 -14.895 1.00 1.00 H new ATOM 410 N ASN A 28 -18.825 -2.401 -8.495 1.00 1.00 N ATOM 411 CA ASN A 28 -18.713 -2.146 -7.062 1.00 1.00 C ATOM 412 C ASN A 28 -19.213 -3.345 -6.264 1.00 1.00 C ATOM 413 O ASN A 28 -20.208 -3.973 -6.628 1.00 1.00 O ATOM 414 CB ASN A 28 -19.528 -0.906 -6.687 1.00 1.00 C ATOM 415 CG ASN A 28 -18.596 0.278 -6.453 1.00 1.00 C ATOM 416 OD1 ASN A 28 -18.755 1.011 -5.476 1.00 1.00 O ATOM 417 ND2 ASN A 28 -17.627 0.510 -7.295 1.00 1.00 N ATOM 0 H ASN A 28 -19.477 -1.790 -8.987 1.00 1.00 H new ATOM 0 HA ASN A 28 -17.663 -1.977 -6.823 1.00 1.00 H new ATOM 0 HB2 ASN A 28 -20.235 -0.671 -7.482 1.00 1.00 H new ATOM 0 HB3 ASN A 28 -20.113 -1.103 -5.788 1.00 1.00 H new ATOM 0 HD21 ASN A 28 -16.999 1.300 -7.145 1.00 1.00 H new ATOM 0 HD22 ASN A 28 -17.497 -0.098 -8.103 1.00 1.00 H new ATOM 424 N SER A 29 -18.512 -3.658 -5.177 1.00 1.00 N ATOM 425 CA SER A 29 -18.886 -4.784 -4.327 1.00 1.00 C ATOM 426 C SER A 29 -18.358 -6.092 -4.908 1.00 1.00 C ATOM 427 O SER A 29 -18.845 -7.173 -4.572 1.00 1.00 O ATOM 428 CB SER A 29 -20.407 -4.862 -4.183 1.00 1.00 C ATOM 429 OG SER A 29 -20.931 -5.713 -5.194 1.00 1.00 O ATOM 0 H SER A 29 -17.685 -3.149 -4.865 1.00 1.00 H new ATOM 0 HA SER A 29 -18.442 -4.629 -3.343 1.00 1.00 H new ATOM 0 HB2 SER A 29 -20.671 -5.244 -3.197 1.00 1.00 H new ATOM 0 HB3 SER A 29 -20.843 -3.867 -4.267 1.00 1.00 H new ATOM 0 HG SER A 29 -21.106 -5.190 -6.004 1.00 1.00 H new ATOM 435 N GLY A 30 -17.364 -5.987 -5.781 1.00 1.00 N ATOM 436 CA GLY A 30 -16.777 -7.168 -6.403 1.00 1.00 C ATOM 437 C GLY A 30 -16.034 -8.014 -5.375 1.00 1.00 C ATOM 438 O GLY A 30 -16.633 -8.844 -4.691 1.00 1.00 O ATOM 0 H GLY A 30 -16.949 -5.102 -6.073 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -17.560 -7.764 -6.872 1.00 1.00 H new ATOM 0 HA3 GLY A 30 -16.091 -6.864 -7.194 1.00 1.00 H new ATOM 442 N ALA A 31 -14.727 -7.798 -5.271 1.00 1.00 N ATOM 443 CA ALA A 31 -13.912 -8.546 -4.321 1.00 1.00 C ATOM 444 C ALA A 31 -13.665 -7.723 -3.062 1.00 1.00 C ATOM 445 O ALA A 31 -13.162 -6.600 -3.130 1.00 1.00 O ATOM 446 CB ALA A 31 -12.573 -8.917 -4.962 1.00 1.00 C ATOM 0 H ALA A 31 -14.212 -7.116 -5.828 1.00 1.00 H new ATOM 0 HA ALA A 31 -14.448 -9.455 -4.047 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -11.969 -9.476 -4.247 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -12.750 -9.531 -5.845 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -12.044 -8.009 -5.252 1.00 1.00 H new ATOM 452 N ASN A 32 -14.020 -8.286 -1.913 1.00 1.00 N ATOM 453 CA ASN A 32 -13.832 -7.595 -0.643 1.00 1.00 C ATOM 454 C ASN A 32 -12.399 -7.763 -0.149 1.00 1.00 C ATOM 455 O ASN A 32 -11.579 -6.853 -0.271 1.00 1.00 O ATOM 456 CB ASN A 32 -14.803 -8.146 0.403 1.00 1.00 C ATOM 457 CG ASN A 32 -16.181 -7.519 0.217 1.00 1.00 C ATOM 458 OD1 ASN A 32 -17.071 -8.134 -0.369 1.00 1.00 O ATOM 459 ND2 ASN A 32 -16.410 -6.321 0.683 1.00 1.00 N ATOM 0 H ASN A 32 -14.437 -9.213 -1.834 1.00 1.00 H new ATOM 0 HA ASN A 32 -14.030 -6.534 -0.796 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -14.872 -9.230 0.312 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -14.430 -7.934 1.405 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -17.328 -5.893 0.562 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -15.671 -5.813 1.169 1.00 1.00 H new ATOM 466 N ASN A 33 -12.104 -8.932 0.409 1.00 1.00 N ATOM 467 CA ASN A 33 -10.765 -9.208 0.918 1.00 1.00 C ATOM 468 C ASN A 33 -9.984 -10.068 -0.071 1.00 1.00 C ATOM 469 O ASN A 33 -8.759 -9.976 -0.155 1.00 1.00 O ATOM 470 CB ASN A 33 -10.856 -9.931 2.264 1.00 1.00 C ATOM 471 CG ASN A 33 -10.567 -11.417 2.078 1.00 1.00 C ATOM 472 OD1 ASN A 33 -9.408 -11.815 1.963 1.00 1.00 O ATOM 473 ND2 ASN A 33 -11.558 -12.265 2.042 1.00 1.00 N ATOM 0 H ASN A 33 -12.768 -9.698 0.520 1.00 1.00 H new ATOM 0 HA ASN A 33 -10.244 -8.260 1.050 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -10.144 -9.499 2.967 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -11.849 -9.796 2.692 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -11.373 -13.260 1.918 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -12.518 -11.932 2.138 1.00 1.00 H new ATOM 480 N GLY A 34 -10.701 -10.903 -0.816 1.00 1.00 N ATOM 481 CA GLY A 34 -10.064 -11.774 -1.796 1.00 1.00 C ATOM 482 C GLY A 34 -9.790 -13.153 -1.204 1.00 1.00 C ATOM 483 O GLY A 34 -10.697 -13.975 -1.074 1.00 1.00 O ATOM 0 H GLY A 34 -11.715 -10.995 -0.761 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -10.705 -11.871 -2.673 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.129 -11.326 -2.133 1.00 1.00 H new ATOM 487 N GLY A 35 -8.535 -13.399 -0.846 1.00 1.00 N ATOM 488 CA GLY A 35 -8.153 -14.682 -0.268 1.00 1.00 C ATOM 489 C GLY A 35 -7.807 -15.689 -1.359 1.00 1.00 C ATOM 490 O GLY A 35 -8.446 -15.722 -2.411 1.00 1.00 O ATOM 0 H GLY A 35 -7.769 -12.732 -0.945 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -7.297 -14.547 0.393 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -8.969 -15.068 0.343 1.00 1.00 H new ATOM 494 N GLY A 36 -6.795 -16.510 -1.100 1.00 1.00 N ATOM 495 CA GLY A 36 -6.373 -17.517 -2.068 1.00 1.00 C ATOM 496 C GLY A 36 -5.104 -17.078 -2.792 1.00 1.00 C ATOM 497 O GLY A 36 -4.117 -17.812 -2.823 1.00 1.00 O ATOM 0 H GLY A 36 -6.255 -16.499 -0.235 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -6.197 -18.465 -1.559 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -7.169 -17.687 -2.792 1.00 1.00 H new ATOM 501 N GLU A 37 -5.147 -15.876 -3.367 1.00 1.00 N ATOM 502 CA GLU A 37 -4.004 -15.322 -4.096 1.00 1.00 C ATOM 503 C GLU A 37 -3.204 -16.429 -4.787 1.00 1.00 C ATOM 504 O GLU A 37 -3.780 -17.328 -5.399 1.00 1.00 O ATOM 505 CB GLU A 37 -3.110 -14.532 -3.132 1.00 1.00 C ATOM 506 CG GLU A 37 -2.687 -15.422 -1.961 1.00 1.00 C ATOM 507 CD GLU A 37 -1.584 -14.739 -1.160 1.00 1.00 C ATOM 508 OE1 GLU A 37 -1.495 -13.524 -1.231 1.00 1.00 O ATOM 509 OE2 GLU A 37 -0.848 -15.439 -0.484 1.00 1.00 O ATOM 0 H GLU A 37 -5.963 -15.265 -3.342 1.00 1.00 H new ATOM 0 HA GLU A 37 -4.376 -14.650 -4.869 1.00 1.00 H new ATOM 0 HB2 GLU A 37 -2.228 -14.166 -3.658 1.00 1.00 H new ATOM 0 HB3 GLU A 37 -3.645 -13.658 -2.760 1.00 1.00 H new ATOM 0 HG2 GLU A 37 -3.544 -15.623 -1.318 1.00 1.00 H new ATOM 0 HG3 GLU A 37 -2.335 -16.384 -2.333 1.00 1.00 H new ATOM 516 N ASN A 38 -1.878 -16.364 -4.690 1.00 1.00 N ATOM 517 CA ASN A 38 -1.026 -17.370 -5.315 1.00 1.00 C ATOM 518 C ASN A 38 -1.542 -17.719 -6.707 1.00 1.00 C ATOM 519 O ASN A 38 -1.694 -18.893 -7.047 1.00 1.00 O ATOM 520 CB ASN A 38 -0.989 -18.633 -4.450 1.00 1.00 C ATOM 521 CG ASN A 38 0.028 -19.619 -5.015 1.00 1.00 C ATOM 522 OD1 ASN A 38 -0.305 -20.774 -5.276 1.00 1.00 O ATOM 523 ND2 ASN A 38 1.256 -19.229 -5.218 1.00 1.00 N ATOM 0 H ASN A 38 -1.375 -15.632 -4.189 1.00 1.00 H new ATOM 0 HA ASN A 38 -0.019 -16.962 -5.405 1.00 1.00 H new ATOM 0 HB2 ASN A 38 -0.727 -18.374 -3.424 1.00 1.00 H new ATOM 0 HB3 ASN A 38 -1.977 -19.093 -4.420 1.00 1.00 H new ATOM 0 HD21 ASN A 38 1.943 -19.882 -5.594 1.00 1.00 H new ATOM 0 HD22 ASN A 38 1.529 -18.271 -5.001 1.00 1.00 H new ATOM 530 N SER A 39 -1.810 -16.694 -7.508 1.00 1.00 N ATOM 531 CA SER A 39 -2.307 -16.904 -8.863 1.00 1.00 C ATOM 532 C SER A 39 -2.135 -15.638 -9.698 1.00 1.00 C ATOM 533 O SER A 39 -2.766 -15.482 -10.743 1.00 1.00 O ATOM 534 CB SER A 39 -3.785 -17.292 -8.822 1.00 1.00 C ATOM 535 OG SER A 39 -4.561 -16.149 -8.487 1.00 1.00 O ATOM 0 H SER A 39 -1.693 -15.715 -7.245 1.00 1.00 H new ATOM 0 HA SER A 39 -1.732 -17.709 -9.321 1.00 1.00 H new ATOM 0 HB2 SER A 39 -4.096 -17.687 -9.789 1.00 1.00 H new ATOM 0 HB3 SER A 39 -3.945 -18.082 -8.089 1.00 1.00 H new ATOM 0 HG SER A 39 -5.510 -16.394 -8.461 1.00 1.00 H new ATOM 541 N ALA A 40 -1.274 -14.741 -9.229 1.00 1.00 N ATOM 542 CA ALA A 40 -1.025 -13.491 -9.939 1.00 1.00 C ATOM 543 C ALA A 40 -0.199 -12.542 -9.075 1.00 1.00 C ATOM 544 O ALA A 40 -0.718 -11.562 -8.541 1.00 1.00 O ATOM 545 CB ALA A 40 -2.353 -12.825 -10.307 1.00 1.00 C ATOM 0 H ALA A 40 -0.740 -14.854 -8.367 1.00 1.00 H new ATOM 0 HA ALA A 40 -0.468 -13.715 -10.849 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -2.158 -11.893 -10.837 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -2.930 -13.492 -10.948 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -2.919 -12.615 -9.399 1.00 1.00 H new ATOM 551 N PRO A 41 1.067 -12.822 -8.931 1.00 1.00 N ATOM 552 CA PRO A 41 1.992 -11.983 -8.114 1.00 1.00 C ATOM 553 C PRO A 41 1.989 -10.521 -8.561 1.00 1.00 C ATOM 554 O PRO A 41 1.534 -9.647 -7.825 1.00 1.00 O ATOM 555 CB PRO A 41 3.369 -12.622 -8.331 1.00 1.00 C ATOM 556 CG PRO A 41 3.100 -14.012 -8.806 1.00 1.00 C ATOM 557 CD PRO A 41 1.757 -13.972 -9.531 1.00 1.00 C ATOM 0 HA PRO A 41 1.697 -11.959 -7.065 1.00 1.00 H new ATOM 0 HB2 PRO A 41 3.949 -12.063 -9.065 1.00 1.00 H new ATOM 0 HB3 PRO A 41 3.947 -12.629 -7.407 1.00 1.00 H new ATOM 0 HG2 PRO A 41 3.891 -14.353 -9.474 1.00 1.00 H new ATOM 0 HG3 PRO A 41 3.068 -14.708 -7.968 1.00 1.00 H new ATOM 0 HD2 PRO A 41 1.887 -13.844 -10.606 1.00 1.00 H new ATOM 0 HD3 PRO A 41 1.196 -14.895 -9.385 1.00 1.00 H new ATOM 565 N VAL A 42 2.502 -10.276 -9.769 1.00 1.00 N ATOM 566 CA VAL A 42 2.568 -8.923 -10.329 1.00 1.00 C ATOM 567 C VAL A 42 2.747 -7.878 -9.233 1.00 1.00 C ATOM 568 O VAL A 42 2.066 -6.852 -9.226 1.00 1.00 O ATOM 569 CB VAL A 42 1.300 -8.616 -11.129 1.00 1.00 C ATOM 570 CG1 VAL A 42 1.310 -9.425 -12.424 1.00 1.00 C ATOM 571 CG2 VAL A 42 0.064 -8.989 -10.307 1.00 1.00 C ATOM 0 H VAL A 42 2.879 -11.000 -10.381 1.00 1.00 H new ATOM 0 HA VAL A 42 3.433 -8.880 -10.990 1.00 1.00 H new ATOM 0 HB VAL A 42 1.270 -7.551 -11.360 1.00 1.00 H new ATOM 0 HG11 VAL A 42 0.408 -9.208 -12.996 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.186 -9.157 -13.014 1.00 1.00 H new ATOM 0 HG13 VAL A 42 1.343 -10.489 -12.188 1.00 1.00 H new ATOM 0 HG21 VAL A 42 -0.835 -8.768 -10.882 1.00 1.00 H new ATOM 0 HG22 VAL A 42 0.092 -10.053 -10.071 1.00 1.00 H new ATOM 0 HG23 VAL A 42 0.054 -8.412 -9.382 1.00 1.00 H new ATOM 581 N GLY A 43 3.664 -8.143 -8.312 1.00 1.00 N ATOM 582 CA GLY A 43 3.920 -7.214 -7.220 1.00 1.00 C ATOM 583 C GLY A 43 4.452 -7.943 -5.991 1.00 1.00 C ATOM 584 O GLY A 43 5.410 -7.498 -5.358 1.00 1.00 O ATOM 0 H GLY A 43 4.238 -8.986 -8.299 1.00 1.00 H new ATOM 0 HA2 GLY A 43 4.641 -6.461 -7.540 1.00 1.00 H new ATOM 0 HA3 GLY A 43 3.001 -6.687 -6.964 1.00 1.00 H new ATOM 588 N ALA A 44 3.824 -9.066 -5.658 1.00 1.00 N ATOM 589 CA ALA A 44 4.246 -9.849 -4.501 1.00 1.00 C ATOM 590 C ALA A 44 5.749 -10.103 -4.544 1.00 1.00 C ATOM 591 O ALA A 44 6.381 -10.318 -3.510 1.00 1.00 O ATOM 592 CB ALA A 44 3.500 -11.185 -4.475 1.00 1.00 C ATOM 0 H ALA A 44 3.029 -9.452 -6.167 1.00 1.00 H new ATOM 0 HA ALA A 44 4.011 -9.284 -3.599 1.00 1.00 H new ATOM 0 HB1 ALA A 44 3.820 -11.764 -3.609 1.00 1.00 H new ATOM 0 HB2 ALA A 44 2.427 -11.002 -4.412 1.00 1.00 H new ATOM 0 HB3 ALA A 44 3.720 -11.742 -5.385 1.00 1.00 H new ATOM 598 N ALA A 45 6.314 -10.079 -5.746 1.00 1.00 N ATOM 599 CA ALA A 45 7.744 -10.311 -5.912 1.00 1.00 C ATOM 600 C ALA A 45 8.551 -9.186 -5.268 1.00 1.00 C ATOM 601 O ALA A 45 9.656 -9.408 -4.773 1.00 1.00 O ATOM 602 CB ALA A 45 8.090 -10.398 -7.400 1.00 1.00 C ATOM 0 H ALA A 45 5.808 -9.903 -6.614 1.00 1.00 H new ATOM 0 HA ALA A 45 7.997 -11.251 -5.422 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.160 -10.571 -7.515 1.00 1.00 H new ATOM 0 HB2 ALA A 45 7.538 -11.221 -7.854 1.00 1.00 H new ATOM 0 HB3 ALA A 45 7.819 -9.464 -7.892 1.00 1.00 H new ATOM 608 N ILE A 46 7.989 -7.980 -5.278 1.00 1.00 N ATOM 609 CA ILE A 46 8.666 -6.826 -4.692 1.00 1.00 C ATOM 610 C ILE A 46 8.029 -6.450 -3.357 1.00 1.00 C ATOM 611 O ILE A 46 8.677 -5.854 -2.496 1.00 1.00 O ATOM 612 CB ILE A 46 8.585 -5.634 -5.651 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.130 -5.415 -6.071 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.432 -5.912 -6.896 1.00 1.00 C ATOM 615 CD1 ILE A 46 7.003 -4.071 -6.791 1.00 1.00 C ATOM 0 H ILE A 46 7.075 -7.777 -5.682 1.00 1.00 H new ATOM 0 HA ILE A 46 9.710 -7.088 -4.522 1.00 1.00 H new ATOM 0 HB ILE A 46 8.961 -4.743 -5.148 1.00 1.00 H new ATOM 0 HG12 ILE A 46 6.804 -6.223 -6.726 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.481 -5.433 -5.195 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.371 -5.061 -7.575 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.470 -6.068 -6.602 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.059 -6.804 -7.398 1.00 1.00 H new ATOM 0 HD11 ILE A 46 5.967 -3.915 -7.090 1.00 1.00 H new ATOM 0 HD12 ILE A 46 7.312 -3.269 -6.121 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.640 -4.070 -7.676 1.00 1.00 H new ATOM 627 N ALA A 47 6.759 -6.804 -3.191 1.00 1.00 N ATOM 628 CA ALA A 47 6.044 -6.499 -1.956 1.00 1.00 C ATOM 629 C ALA A 47 6.653 -7.253 -0.778 1.00 1.00 C ATOM 630 O ALA A 47 6.499 -6.851 0.375 1.00 1.00 O ATOM 631 CB ALA A 47 4.569 -6.877 -2.100 1.00 1.00 C ATOM 0 H ALA A 47 6.206 -7.299 -3.891 1.00 1.00 H new ATOM 0 HA ALA A 47 6.129 -5.429 -1.767 1.00 1.00 H new ATOM 0 HB1 ALA A 47 4.042 -6.646 -1.174 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.127 -6.311 -2.920 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.485 -7.944 -2.309 1.00 1.00 H new ATOM 637 N ASN A 48 7.343 -8.350 -1.075 1.00 1.00 N ATOM 638 CA ASN A 48 7.970 -9.153 -0.031 1.00 1.00 C ATOM 639 C ASN A 48 9.323 -8.567 0.349 1.00 1.00 C ATOM 640 O ASN A 48 9.933 -8.969 1.340 1.00 1.00 O ATOM 641 CB ASN A 48 8.152 -10.592 -0.517 1.00 1.00 C ATOM 642 CG ASN A 48 9.203 -10.639 -1.622 1.00 1.00 C ATOM 643 OD1 ASN A 48 9.263 -9.742 -2.462 1.00 1.00 O ATOM 644 ND2 ASN A 48 10.040 -11.640 -1.671 1.00 1.00 N ATOM 0 H ASN A 48 7.482 -8.701 -2.023 1.00 1.00 H new ATOM 0 HA ASN A 48 7.323 -9.147 0.846 1.00 1.00 H new ATOM 0 HB2 ASN A 48 8.456 -11.230 0.313 1.00 1.00 H new ATOM 0 HB3 ASN A 48 7.204 -10.982 -0.888 1.00 1.00 H new ATOM 0 HD21 ASN A 48 10.745 -11.679 -2.407 1.00 1.00 H new ATOM 0 HD22 ASN A 48 9.988 -12.383 -0.974 1.00 1.00 H new ATOM 651 N PHE A 49 9.787 -7.615 -0.450 1.00 1.00 N ATOM 652 CA PHE A 49 11.072 -6.975 -0.200 1.00 1.00 C ATOM 653 C PHE A 49 10.910 -5.800 0.759 1.00 1.00 C ATOM 654 O PHE A 49 11.870 -5.088 1.054 1.00 1.00 O ATOM 655 CB PHE A 49 11.671 -6.494 -1.523 1.00 1.00 C ATOM 656 CG PHE A 49 12.861 -7.354 -1.884 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.736 -8.748 -1.899 1.00 1.00 C ATOM 658 CD2 PHE A 49 14.087 -6.757 -2.200 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.837 -9.546 -2.232 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.188 -7.555 -2.533 1.00 1.00 C ATOM 661 CZ PHE A 49 15.063 -8.950 -2.547 1.00 1.00 C ATOM 0 H PHE A 49 9.295 -7.270 -1.274 1.00 1.00 H new ATOM 0 HA PHE A 49 11.743 -7.701 0.259 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.921 -6.543 -2.313 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.976 -5.451 -1.438 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.790 -9.208 -1.654 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.184 -5.681 -2.187 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.740 -10.622 -2.246 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.134 -7.095 -2.779 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.913 -9.566 -2.801 1.00 1.00 H new ATOM 671 N LEU A 50 9.686 -5.608 1.242 1.00 1.00 N ATOM 672 CA LEU A 50 9.392 -4.521 2.174 1.00 1.00 C ATOM 673 C LEU A 50 8.771 -5.074 3.456 1.00 1.00 C ATOM 674 O LEU A 50 7.636 -5.553 3.453 1.00 1.00 O ATOM 675 CB LEU A 50 8.427 -3.522 1.523 1.00 1.00 C ATOM 676 CG LEU A 50 9.178 -2.599 0.550 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.489 -2.631 -0.816 1.00 1.00 C ATOM 678 CD2 LEU A 50 9.159 -1.167 1.089 1.00 1.00 C ATOM 0 H LEU A 50 8.882 -6.189 1.005 1.00 1.00 H new ATOM 0 HA LEU A 50 10.324 -4.014 2.423 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.643 -4.060 0.990 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.938 -2.926 2.293 1.00 1.00 H new ATOM 0 HG LEU A 50 10.209 -2.940 0.450 1.00 1.00 H new ATOM 0 HD11 LEU A 50 9.021 -1.977 -1.507 1.00 1.00 H new ATOM 0 HD12 LEU A 50 8.496 -3.650 -1.203 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.459 -2.289 -0.712 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.691 -0.512 0.400 1.00 1.00 H new ATOM 0 HD22 LEU A 50 8.127 -0.829 1.187 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.645 -1.139 2.064 1.00 1.00 H new ATOM 690 N GLU A 51 9.527 -5.005 4.550 1.00 1.00 N ATOM 691 CA GLU A 51 9.052 -5.501 5.840 1.00 1.00 C ATOM 692 C GLU A 51 7.663 -4.933 6.153 1.00 1.00 C ATOM 693 O GLU A 51 7.311 -3.860 5.671 1.00 1.00 O ATOM 694 CB GLU A 51 10.037 -5.088 6.938 1.00 1.00 C ATOM 695 CG GLU A 51 11.153 -6.130 7.051 1.00 1.00 C ATOM 696 CD GLU A 51 10.771 -7.196 8.073 1.00 1.00 C ATOM 697 OE1 GLU A 51 10.835 -6.905 9.255 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.427 -8.292 7.659 1.00 1.00 O ATOM 0 H GLU A 51 10.468 -4.612 4.569 1.00 1.00 H new ATOM 0 HA GLU A 51 8.983 -6.588 5.798 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.461 -4.110 6.710 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.516 -4.995 7.891 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.330 -6.592 6.080 1.00 1.00 H new ATOM 0 HG3 GLU A 51 12.084 -5.647 7.348 1.00 1.00 H new ATOM 705 N PRO A 52 6.872 -5.628 6.942 1.00 1.00 N ATOM 706 CA PRO A 52 5.496 -5.165 7.309 1.00 1.00 C ATOM 707 C PRO A 52 5.505 -3.839 8.067 1.00 1.00 C ATOM 708 O PRO A 52 4.843 -2.882 7.665 1.00 1.00 O ATOM 709 CB PRO A 52 4.941 -6.291 8.190 1.00 1.00 C ATOM 710 CG PRO A 52 6.127 -7.072 8.650 1.00 1.00 C ATOM 711 CD PRO A 52 7.193 -6.921 7.570 1.00 1.00 C ATOM 0 HA PRO A 52 4.891 -4.977 6.422 1.00 1.00 H new ATOM 0 HB2 PRO A 52 4.387 -5.887 9.037 1.00 1.00 H new ATOM 0 HB3 PRO A 52 4.251 -6.922 7.629 1.00 1.00 H new ATOM 0 HG2 PRO A 52 6.490 -6.698 9.607 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.868 -8.121 8.795 1.00 1.00 H new ATOM 0 HD2 PRO A 52 8.197 -6.922 7.995 1.00 1.00 H new ATOM 0 HD3 PRO A 52 7.152 -7.738 6.849 1.00 1.00 H new ATOM 719 N GLN A 53 6.256 -3.785 9.162 1.00 1.00 N ATOM 720 CA GLN A 53 6.333 -2.561 9.955 1.00 1.00 C ATOM 721 C GLN A 53 6.893 -1.428 9.103 1.00 1.00 C ATOM 722 O GLN A 53 6.353 -0.321 9.082 1.00 1.00 O ATOM 723 CB GLN A 53 7.226 -2.782 11.176 1.00 1.00 C ATOM 724 CG GLN A 53 6.781 -4.047 11.912 1.00 1.00 C ATOM 725 CD GLN A 53 6.523 -3.732 13.382 1.00 1.00 C ATOM 726 OE1 GLN A 53 7.264 -4.186 14.254 1.00 1.00 O ATOM 727 NE2 GLN A 53 5.509 -2.981 13.711 1.00 1.00 N ATOM 0 H GLN A 53 6.813 -4.562 9.518 1.00 1.00 H new ATOM 0 HA GLN A 53 5.332 -2.294 10.293 1.00 1.00 H new ATOM 0 HB2 GLN A 53 8.267 -2.876 10.866 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.168 -1.921 11.842 1.00 1.00 H new ATOM 0 HG2 GLN A 53 5.876 -4.446 11.453 1.00 1.00 H new ATOM 0 HG3 GLN A 53 7.548 -4.817 11.826 1.00 1.00 H new ATOM 0 HE21 GLN A 53 4.896 -2.606 12.987 1.00 1.00 H new ATOM 0 HE22 GLN A 53 5.329 -2.769 14.692 1.00 1.00 H new ATOM 736 N ALA A 54 7.972 -1.723 8.389 1.00 1.00 N ATOM 737 CA ALA A 54 8.595 -0.735 7.520 1.00 1.00 C ATOM 738 C ALA A 54 7.610 -0.284 6.454 1.00 1.00 C ATOM 739 O ALA A 54 7.675 0.845 5.968 1.00 1.00 O ATOM 740 CB ALA A 54 9.832 -1.334 6.851 1.00 1.00 C ATOM 0 H ALA A 54 8.431 -2.634 8.395 1.00 1.00 H new ATOM 0 HA ALA A 54 8.891 0.124 8.122 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.292 -0.588 6.203 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.546 -1.641 7.615 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.541 -2.201 6.258 1.00 1.00 H new ATOM 746 N LEU A 55 6.699 -1.179 6.094 1.00 1.00 N ATOM 747 CA LEU A 55 5.699 -0.865 5.077 1.00 1.00 C ATOM 748 C LEU A 55 4.846 0.318 5.516 1.00 1.00 C ATOM 749 O LEU A 55 4.425 1.133 4.694 1.00 1.00 O ATOM 750 CB LEU A 55 4.797 -2.078 4.825 1.00 1.00 C ATOM 751 CG LEU A 55 4.744 -2.376 3.326 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.851 -3.592 3.077 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.173 -1.167 2.578 1.00 1.00 C ATOM 0 H LEU A 55 6.630 -2.119 6.485 1.00 1.00 H new ATOM 0 HA LEU A 55 6.220 -0.607 4.155 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.177 -2.945 5.365 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.793 -1.882 5.203 1.00 1.00 H new ATOM 0 HG LEU A 55 5.752 -2.582 2.966 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.814 -3.803 2.008 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.257 -4.456 3.604 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.845 -3.385 3.441 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.137 -1.384 1.510 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.166 -0.957 2.940 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.809 -0.299 2.751 1.00 1.00 H new ATOM 765 N GLU A 56 4.591 0.406 6.816 1.00 1.00 N ATOM 766 CA GLU A 56 3.781 1.493 7.353 1.00 1.00 C ATOM 767 C GLU A 56 4.525 2.823 7.267 1.00 1.00 C ATOM 768 O GLU A 56 3.927 3.859 6.976 1.00 1.00 O ATOM 769 CB GLU A 56 3.416 1.201 8.811 1.00 1.00 C ATOM 770 CG GLU A 56 2.118 1.931 9.171 1.00 1.00 C ATOM 771 CD GLU A 56 0.921 1.190 8.584 1.00 1.00 C ATOM 772 OE1 GLU A 56 0.621 1.415 7.423 1.00 1.00 O ATOM 773 OE2 GLU A 56 0.321 0.410 9.305 1.00 1.00 O ATOM 0 H GLU A 56 4.930 -0.257 7.513 1.00 1.00 H new ATOM 0 HA GLU A 56 2.872 1.566 6.757 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.295 0.128 8.958 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.222 1.524 9.470 1.00 1.00 H new ATOM 0 HG2 GLU A 56 2.018 1.999 10.254 1.00 1.00 H new ATOM 0 HG3 GLU A 56 2.147 2.951 8.789 1.00 1.00 H new ATOM 780 N ARG A 57 5.829 2.796 7.533 1.00 1.00 N ATOM 781 CA ARG A 57 6.628 4.011 7.492 1.00 1.00 C ATOM 782 C ARG A 57 6.564 4.665 6.116 1.00 1.00 C ATOM 783 O ARG A 57 6.196 5.834 5.998 1.00 1.00 O ATOM 784 CB ARG A 57 8.081 3.675 7.838 1.00 1.00 C ATOM 785 CG ARG A 57 8.906 4.958 7.998 1.00 1.00 C ATOM 786 CD ARG A 57 8.745 5.506 9.414 1.00 1.00 C ATOM 787 NE ARG A 57 9.177 4.515 10.394 1.00 1.00 N ATOM 788 CZ ARG A 57 9.289 4.821 11.681 1.00 1.00 C ATOM 789 NH1 ARG A 57 9.015 6.030 12.092 1.00 1.00 N ATOM 790 NH2 ARG A 57 9.671 3.914 12.537 1.00 1.00 N ATOM 0 H ARG A 57 6.348 1.952 7.777 1.00 1.00 H new ATOM 0 HA ARG A 57 6.226 4.715 8.221 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.117 3.095 8.760 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.513 3.053 7.054 1.00 1.00 H new ATOM 0 HG2 ARG A 57 9.957 4.752 7.796 1.00 1.00 H new ATOM 0 HG3 ARG A 57 8.581 5.703 7.271 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.331 6.418 9.527 1.00 1.00 H new ATOM 0 HD3 ARG A 57 7.703 5.773 9.592 1.00 1.00 H new ATOM 0 HE ARG A 57 9.397 3.568 10.084 1.00 1.00 H new ATOM 0 HH11 ARG A 57 8.715 6.740 11.424 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.101 6.264 13.081 1.00 1.00 H new ATOM 0 HH21 ARG A 57 9.884 2.969 12.218 1.00 1.00 H new ATOM 0 HH22 ARG A 57 9.757 4.150 13.526 1.00 1.00 H new ATOM 804 N LEU A 58 6.927 3.921 5.078 1.00 1.00 N ATOM 805 CA LEU A 58 6.902 4.473 3.730 1.00 1.00 C ATOM 806 C LEU A 58 5.502 4.995 3.419 1.00 1.00 C ATOM 807 O LEU A 58 5.334 6.018 2.756 1.00 1.00 O ATOM 808 CB LEU A 58 7.317 3.400 2.715 1.00 1.00 C ATOM 809 CG LEU A 58 7.183 3.934 1.281 1.00 1.00 C ATOM 810 CD1 LEU A 58 7.946 5.251 1.136 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.771 2.912 0.305 1.00 1.00 C ATOM 0 H LEU A 58 7.237 2.951 5.141 1.00 1.00 H new ATOM 0 HA LEU A 58 7.609 5.300 3.663 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.347 3.095 2.901 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.694 2.514 2.839 1.00 1.00 H new ATOM 0 HG LEU A 58 6.128 4.101 1.062 1.00 1.00 H new ATOM 0 HD11 LEU A 58 7.844 5.620 0.115 1.00 1.00 H new ATOM 0 HD12 LEU A 58 7.538 5.986 1.830 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.000 5.087 1.359 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.678 3.287 -0.714 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.824 2.751 0.538 1.00 1.00 H new ATOM 0 HD23 LEU A 58 7.231 1.970 0.396 1.00 1.00 H new ATOM 823 N SER A 59 4.498 4.283 3.917 1.00 1.00 N ATOM 824 CA SER A 59 3.112 4.686 3.715 1.00 1.00 C ATOM 825 C SER A 59 2.817 5.987 4.464 1.00 1.00 C ATOM 826 O SER A 59 2.119 6.865 3.957 1.00 1.00 O ATOM 827 CB SER A 59 2.173 3.587 4.211 1.00 1.00 C ATOM 828 OG SER A 59 1.846 3.827 5.573 1.00 1.00 O ATOM 0 H SER A 59 4.617 3.428 4.461 1.00 1.00 H new ATOM 0 HA SER A 59 2.951 4.848 2.649 1.00 1.00 H new ATOM 0 HB2 SER A 59 1.267 3.567 3.606 1.00 1.00 H new ATOM 0 HB3 SER A 59 2.648 2.612 4.106 1.00 1.00 H new ATOM 0 HG SER A 59 2.646 3.710 6.127 1.00 1.00 H new ATOM 834 N ARG A 60 3.336 6.085 5.689 1.00 1.00 N ATOM 835 CA ARG A 60 3.109 7.259 6.533 1.00 1.00 C ATOM 836 C ARG A 60 3.771 8.515 5.971 1.00 1.00 C ATOM 837 O ARG A 60 3.160 9.582 5.937 1.00 1.00 O ATOM 838 CB ARG A 60 3.656 6.996 7.936 1.00 1.00 C ATOM 839 CG ARG A 60 2.941 7.897 8.945 1.00 1.00 C ATOM 840 CD ARG A 60 1.763 7.141 9.561 1.00 1.00 C ATOM 841 NE ARG A 60 0.820 8.075 10.165 1.00 1.00 N ATOM 842 CZ ARG A 60 1.101 8.697 11.305 1.00 1.00 C ATOM 843 NH1 ARG A 60 2.244 8.486 11.898 1.00 1.00 N ATOM 844 NH2 ARG A 60 0.235 9.518 11.832 1.00 1.00 N ATOM 0 H ARG A 60 3.917 5.365 6.119 1.00 1.00 H new ATOM 0 HA ARG A 60 2.033 7.431 6.564 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.512 5.949 8.203 1.00 1.00 H new ATOM 0 HB3 ARG A 60 4.729 7.186 7.960 1.00 1.00 H new ATOM 0 HG2 ARG A 60 3.635 8.208 9.726 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.588 8.803 8.453 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.260 6.551 8.794 1.00 1.00 H new ATOM 0 HD3 ARG A 60 2.125 6.442 10.315 1.00 1.00 H new ATOM 0 HE ARG A 60 -0.072 8.254 9.704 1.00 1.00 H new ATOM 0 HH11 ARG A 60 2.921 7.844 11.486 1.00 1.00 H new ATOM 0 HH12 ARG A 60 2.460 8.963 12.773 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -0.659 9.683 11.369 1.00 1.00 H new ATOM 0 HH22 ARG A 60 0.452 9.995 12.707 1.00 1.00 H new ATOM 858 N VAL A 61 5.023 8.391 5.546 1.00 1.00 N ATOM 859 CA VAL A 61 5.748 9.537 5.004 1.00 1.00 C ATOM 860 C VAL A 61 5.165 9.965 3.661 1.00 1.00 C ATOM 861 O VAL A 61 4.979 11.155 3.407 1.00 1.00 O ATOM 862 CB VAL A 61 7.232 9.190 4.837 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.371 7.981 3.926 1.00 1.00 C ATOM 864 CG2 VAL A 61 7.967 10.383 4.223 1.00 1.00 C ATOM 0 H VAL A 61 5.553 7.520 5.565 1.00 1.00 H new ATOM 0 HA VAL A 61 5.647 10.365 5.705 1.00 1.00 H new ATOM 0 HB VAL A 61 7.664 8.960 5.811 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.426 7.734 3.807 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.847 7.132 4.365 1.00 1.00 H new ATOM 0 HG13 VAL A 61 6.940 8.208 2.951 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.022 10.138 4.104 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.536 10.614 3.249 1.00 1.00 H new ATOM 0 HG23 VAL A 61 7.867 11.248 4.878 1.00 1.00 H new ATOM 874 N ALA A 62 4.882 8.990 2.805 1.00 1.00 N ATOM 875 CA ALA A 62 4.323 9.283 1.487 1.00 1.00 C ATOM 876 C ALA A 62 3.076 10.151 1.608 1.00 1.00 C ATOM 877 O ALA A 62 2.814 10.997 0.753 1.00 1.00 O ATOM 878 CB ALA A 62 3.975 7.979 0.766 1.00 1.00 C ATOM 0 H ALA A 62 5.028 7.999 2.995 1.00 1.00 H new ATOM 0 HA ALA A 62 5.071 9.828 0.911 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.559 8.206 -0.216 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.876 7.377 0.648 1.00 1.00 H new ATOM 0 HB3 ALA A 62 3.242 7.424 1.351 1.00 1.00 H new ATOM 884 N LEU A 63 2.308 9.936 2.670 1.00 1.00 N ATOM 885 CA LEU A 63 1.088 10.708 2.885 1.00 1.00 C ATOM 886 C LEU A 63 1.413 12.187 3.064 1.00 1.00 C ATOM 887 O LEU A 63 0.537 13.042 2.933 1.00 1.00 O ATOM 888 CB LEU A 63 0.357 10.191 4.129 1.00 1.00 C ATOM 889 CG LEU A 63 -0.393 8.896 3.795 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.918 8.268 5.086 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.576 9.187 2.859 1.00 1.00 C ATOM 0 H LEU A 63 2.505 9.241 3.390 1.00 1.00 H new ATOM 0 HA LEU A 63 0.448 10.592 2.010 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.071 10.011 4.932 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -0.344 10.944 4.489 1.00 1.00 H new ATOM 0 HG LEU A 63 0.293 8.211 3.297 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.452 7.347 4.852 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -0.082 8.044 5.748 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.596 8.964 5.580 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.098 8.257 2.632 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.263 9.879 3.346 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.208 9.632 1.934 1.00 1.00 H new ATOM 903 N VAL A 64 2.673 12.478 3.371 1.00 1.00 N ATOM 904 CA VAL A 64 3.106 13.857 3.576 1.00 1.00 C ATOM 905 C VAL A 64 4.016 14.320 2.441 1.00 1.00 C ATOM 906 O VAL A 64 3.861 15.427 1.927 1.00 1.00 O ATOM 907 CB VAL A 64 3.845 13.973 4.910 1.00 1.00 C ATOM 908 CG1 VAL A 64 3.453 15.279 5.601 1.00 1.00 C ATOM 909 CG2 VAL A 64 3.462 12.792 5.804 1.00 1.00 C ATOM 0 H VAL A 64 3.410 11.781 3.483 1.00 1.00 H new ATOM 0 HA VAL A 64 2.223 14.495 3.589 1.00 1.00 H new ATOM 0 HB VAL A 64 4.920 13.966 4.732 1.00 1.00 H new ATOM 0 HG11 VAL A 64 3.980 15.360 6.551 1.00 1.00 H new ATOM 0 HG12 VAL A 64 3.721 16.122 4.964 1.00 1.00 H new ATOM 0 HG13 VAL A 64 2.378 15.287 5.781 1.00 1.00 H new ATOM 0 HG21 VAL A 64 3.987 12.871 6.756 1.00 1.00 H new ATOM 0 HG22 VAL A 64 2.386 12.803 5.981 1.00 1.00 H new ATOM 0 HG23 VAL A 64 3.739 11.859 5.313 1.00 1.00 H new ATOM 919 N ARG A 65 4.964 13.470 2.055 1.00 1.00 N ATOM 920 CA ARG A 65 5.890 13.812 0.979 1.00 1.00 C ATOM 921 C ARG A 65 6.093 12.625 0.042 1.00 1.00 C ATOM 922 O ARG A 65 7.059 11.872 0.167 1.00 1.00 O ATOM 923 CB ARG A 65 7.232 14.251 1.561 1.00 1.00 C ATOM 924 CG ARG A 65 6.999 15.219 2.723 1.00 1.00 C ATOM 925 CD ARG A 65 8.221 16.123 2.888 1.00 1.00 C ATOM 926 NE ARG A 65 8.234 16.713 4.220 1.00 1.00 N ATOM 927 CZ ARG A 65 7.489 17.777 4.508 1.00 1.00 C ATOM 928 NH1 ARG A 65 6.736 18.314 3.587 1.00 1.00 N ATOM 929 NH2 ARG A 65 7.511 18.282 5.710 1.00 1.00 N ATOM 0 H ARG A 65 5.111 12.548 2.466 1.00 1.00 H new ATOM 0 HA ARG A 65 5.461 14.635 0.407 1.00 1.00 H new ATOM 0 HB2 ARG A 65 7.791 13.381 1.906 1.00 1.00 H new ATOM 0 HB3 ARG A 65 7.834 14.732 0.790 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.110 15.822 2.535 1.00 1.00 H new ATOM 0 HG3 ARG A 65 6.818 14.663 3.643 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.133 15.547 2.728 1.00 1.00 H new ATOM 0 HD3 ARG A 65 8.205 16.910 2.134 1.00 1.00 H new ATOM 0 HE ARG A 65 8.824 16.303 4.944 1.00 1.00 H new ATOM 0 HH11 ARG A 65 6.719 17.918 2.647 1.00 1.00 H new ATOM 0 HH12 ARG A 65 6.165 19.130 3.807 1.00 1.00 H new ATOM 0 HH21 ARG A 65 8.099 17.861 6.429 1.00 1.00 H new ATOM 0 HH22 ARG A 65 6.940 19.098 5.931 1.00 1.00 H new ATOM 943 N ARG A 66 5.167 12.476 -0.897 1.00 1.00 N ATOM 944 CA ARG A 66 5.217 11.390 -1.872 1.00 1.00 C ATOM 945 C ARG A 66 6.489 11.451 -2.717 1.00 1.00 C ATOM 946 O ARG A 66 6.986 10.425 -3.180 1.00 1.00 O ATOM 947 CB ARG A 66 3.994 11.455 -2.788 1.00 1.00 C ATOM 948 CG ARG A 66 3.946 12.816 -3.489 1.00 1.00 C ATOM 949 CD ARG A 66 2.529 13.383 -3.403 1.00 1.00 C ATOM 950 NE ARG A 66 1.565 12.408 -3.901 1.00 1.00 N ATOM 951 CZ ARG A 66 0.261 12.668 -3.904 1.00 1.00 C ATOM 952 NH1 ARG A 66 -0.176 13.814 -3.461 1.00 1.00 N ATOM 953 NH2 ARG A 66 -0.580 11.777 -4.351 1.00 1.00 N ATOM 0 H ARG A 66 4.366 13.098 -1.005 1.00 1.00 H new ATOM 0 HA ARG A 66 5.219 10.450 -1.321 1.00 1.00 H new ATOM 0 HB2 ARG A 66 4.039 10.656 -3.528 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.084 11.302 -2.208 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.653 13.502 -3.023 1.00 1.00 H new ATOM 0 HG3 ARG A 66 4.245 12.711 -4.532 1.00 1.00 H new ATOM 0 HD2 ARG A 66 2.295 13.642 -2.370 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.461 14.302 -3.985 1.00 1.00 H new ATOM 0 HE ARG A 66 1.897 11.510 -4.253 1.00 1.00 H new ATOM 0 HH11 ARG A 66 0.482 14.511 -3.112 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -1.176 14.014 -3.463 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -0.237 10.881 -4.698 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -1.580 11.976 -4.353 1.00 1.00 H new ATOM 967 N ASP A 67 6.997 12.659 -2.936 1.00 1.00 N ATOM 968 CA ASP A 67 8.194 12.838 -3.754 1.00 1.00 C ATOM 969 C ASP A 67 9.349 11.984 -3.235 1.00 1.00 C ATOM 970 O ASP A 67 10.036 11.317 -4.006 1.00 1.00 O ATOM 971 CB ASP A 67 8.600 14.313 -3.754 1.00 1.00 C ATOM 972 CG ASP A 67 8.122 14.975 -2.470 1.00 1.00 C ATOM 973 OD1 ASP A 67 8.045 14.281 -1.469 1.00 1.00 O ATOM 974 OD2 ASP A 67 7.857 16.165 -2.497 1.00 1.00 O ATOM 0 H ASP A 67 6.604 13.523 -2.563 1.00 1.00 H new ATOM 0 HA ASP A 67 7.965 12.519 -4.771 1.00 1.00 H new ATOM 0 HB2 ASP A 67 9.683 14.402 -3.840 1.00 1.00 H new ATOM 0 HB3 ASP A 67 8.169 14.819 -4.618 1.00 1.00 H new ATOM 979 N ARG A 68 9.557 12.001 -1.929 1.00 1.00 N ATOM 980 CA ARG A 68 10.629 11.211 -1.331 1.00 1.00 C ATOM 981 C ARG A 68 10.280 9.727 -1.374 1.00 1.00 C ATOM 982 O ARG A 68 11.153 8.877 -1.542 1.00 1.00 O ATOM 983 CB ARG A 68 10.867 11.626 0.124 1.00 1.00 C ATOM 984 CG ARG A 68 10.417 13.071 0.348 1.00 1.00 C ATOM 985 CD ARG A 68 11.087 13.994 -0.670 1.00 1.00 C ATOM 986 NE ARG A 68 11.492 15.243 -0.035 1.00 1.00 N ATOM 987 CZ ARG A 68 12.515 15.282 0.812 1.00 1.00 C ATOM 988 NH1 ARG A 68 13.153 14.184 1.116 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.883 16.418 1.338 1.00 1.00 N ATOM 0 H ARG A 68 9.006 12.546 -1.266 1.00 1.00 H new ATOM 0 HA ARG A 68 11.537 11.392 -1.907 1.00 1.00 H new ATOM 0 HB2 ARG A 68 10.321 10.961 0.792 1.00 1.00 H new ATOM 0 HB3 ARG A 68 11.924 11.526 0.369 1.00 1.00 H new ATOM 0 HG2 ARG A 68 9.333 13.141 0.256 1.00 1.00 H new ATOM 0 HG3 ARG A 68 10.672 13.387 1.360 1.00 1.00 H new ATOM 0 HD2 ARG A 68 11.957 13.499 -1.101 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.399 14.202 -1.490 1.00 1.00 H new ATOM 0 HE ARG A 68 10.981 16.101 -0.245 1.00 1.00 H new ATOM 0 HH11 ARG A 68 12.866 13.296 0.703 1.00 1.00 H new ATOM 0 HH12 ARG A 68 13.938 14.214 1.766 1.00 1.00 H new ATOM 0 HH21 ARG A 68 12.385 17.276 1.099 1.00 1.00 H new ATOM 0 HH22 ARG A 68 13.668 16.448 1.988 1.00 1.00 H new ATOM 1003 N ALA A 69 8.999 9.435 -1.203 1.00 1.00 N ATOM 1004 CA ALA A 69 8.513 8.057 -1.201 1.00 1.00 C ATOM 1005 C ALA A 69 8.699 7.377 -2.558 1.00 1.00 C ATOM 1006 O ALA A 69 8.882 6.162 -2.625 1.00 1.00 O ATOM 1007 CB ALA A 69 7.028 8.043 -0.846 1.00 1.00 C ATOM 0 H ALA A 69 8.271 10.136 -1.063 1.00 1.00 H new ATOM 0 HA ALA A 69 9.096 7.507 -0.463 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.664 7.016 -0.844 1.00 1.00 H new ATOM 0 HB2 ALA A 69 6.886 8.480 0.142 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.472 8.623 -1.583 1.00 1.00 H new ATOM 1013 N GLN A 70 8.637 8.146 -3.637 1.00 1.00 N ATOM 1014 CA GLN A 70 8.795 7.565 -4.969 1.00 1.00 C ATOM 1015 C GLN A 70 10.257 7.232 -5.253 1.00 1.00 C ATOM 1016 O GLN A 70 10.556 6.252 -5.937 1.00 1.00 O ATOM 1017 CB GLN A 70 8.219 8.502 -6.041 1.00 1.00 C ATOM 1018 CG GLN A 70 9.273 9.502 -6.517 1.00 1.00 C ATOM 1019 CD GLN A 70 10.118 8.891 -7.629 1.00 1.00 C ATOM 1020 OE1 GLN A 70 9.584 8.252 -8.537 1.00 1.00 O ATOM 1021 NE2 GLN A 70 11.412 9.055 -7.617 1.00 1.00 N ATOM 0 H GLN A 70 8.482 9.154 -3.622 1.00 1.00 H new ATOM 0 HA GLN A 70 8.233 6.631 -5.001 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.860 7.916 -6.887 1.00 1.00 H new ATOM 0 HB3 GLN A 70 7.360 9.038 -5.637 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.787 10.409 -6.877 1.00 1.00 H new ATOM 0 HG3 GLN A 70 9.912 9.792 -5.683 1.00 1.00 H new ATOM 0 HE21 GLN A 70 11.852 9.584 -6.864 1.00 1.00 H new ATOM 0 HE22 GLN A 70 11.984 8.654 -8.360 1.00 1.00 H new ATOM 1030 N ALA A 71 11.166 8.050 -4.730 1.00 1.00 N ATOM 1031 CA ALA A 71 12.590 7.822 -4.944 1.00 1.00 C ATOM 1032 C ALA A 71 13.039 6.536 -4.247 1.00 1.00 C ATOM 1033 O ALA A 71 13.735 5.712 -4.839 1.00 1.00 O ATOM 1034 CB ALA A 71 13.389 9.014 -4.423 1.00 1.00 C ATOM 0 H ALA A 71 10.945 8.867 -4.161 1.00 1.00 H new ATOM 0 HA ALA A 71 12.771 7.712 -6.013 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.452 8.838 -4.585 1.00 1.00 H new ATOM 0 HB2 ALA A 71 13.085 9.916 -4.954 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.201 9.140 -3.357 1.00 1.00 H new ATOM 1040 N VAL A 72 12.621 6.359 -2.996 1.00 1.00 N ATOM 1041 CA VAL A 72 12.969 5.158 -2.241 1.00 1.00 C ATOM 1042 C VAL A 72 12.410 3.930 -2.949 1.00 1.00 C ATOM 1043 O VAL A 72 13.075 2.898 -3.050 1.00 1.00 O ATOM 1044 CB VAL A 72 12.402 5.230 -0.816 1.00 1.00 C ATOM 1045 CG1 VAL A 72 13.191 6.244 0.012 1.00 1.00 C ATOM 1046 CG2 VAL A 72 10.939 5.652 -0.866 1.00 1.00 C ATOM 0 H VAL A 72 12.044 7.028 -2.486 1.00 1.00 H new ATOM 0 HA VAL A 72 14.055 5.088 -2.181 1.00 1.00 H new ATOM 0 HB VAL A 72 12.484 4.246 -0.354 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.781 6.288 1.021 1.00 1.00 H new ATOM 0 HG12 VAL A 72 14.237 5.941 0.058 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.118 7.228 -0.452 1.00 1.00 H new ATOM 0 HG21 VAL A 72 10.540 5.702 0.147 1.00 1.00 H new ATOM 0 HG22 VAL A 72 10.859 6.632 -1.336 1.00 1.00 H new ATOM 0 HG23 VAL A 72 10.370 4.924 -1.445 1.00 1.00 H new ATOM 1056 N GLU A 73 11.188 4.062 -3.450 1.00 1.00 N ATOM 1057 CA GLU A 73 10.537 2.973 -4.164 1.00 1.00 C ATOM 1058 C GLU A 73 11.256 2.717 -5.487 1.00 1.00 C ATOM 1059 O GLU A 73 11.356 1.577 -5.942 1.00 1.00 O ATOM 1060 CB GLU A 73 9.066 3.335 -4.420 1.00 1.00 C ATOM 1061 CG GLU A 73 8.571 2.664 -5.704 1.00 1.00 C ATOM 1062 CD GLU A 73 7.046 2.641 -5.730 1.00 1.00 C ATOM 1063 OE1 GLU A 73 6.444 3.402 -4.991 1.00 1.00 O ATOM 1064 OE2 GLU A 73 6.503 1.849 -6.484 1.00 1.00 O ATOM 0 H GLU A 73 10.629 4.912 -3.375 1.00 1.00 H new ATOM 0 HA GLU A 73 10.581 2.066 -3.561 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.454 3.017 -3.576 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.959 4.417 -4.502 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.949 3.202 -6.573 1.00 1.00 H new ATOM 0 HG3 GLU A 73 8.959 1.647 -5.765 1.00 1.00 H new ATOM 1071 N THR A 74 11.758 3.787 -6.093 1.00 1.00 N ATOM 1072 CA THR A 74 12.471 3.671 -7.360 1.00 1.00 C ATOM 1073 C THR A 74 13.879 3.133 -7.129 1.00 1.00 C ATOM 1074 O THR A 74 14.462 2.491 -8.002 1.00 1.00 O ATOM 1075 CB THR A 74 12.542 5.036 -8.050 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.331 5.267 -8.759 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.719 5.062 -9.028 1.00 1.00 C ATOM 0 H THR A 74 11.686 4.738 -5.731 1.00 1.00 H new ATOM 0 HA THR A 74 11.930 2.975 -8.001 1.00 1.00 H new ATOM 0 HB THR A 74 12.683 5.814 -7.300 1.00 1.00 H new ATOM 0 HG1 THR A 74 10.663 5.648 -8.151 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.765 6.035 -9.516 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.647 4.884 -8.485 1.00 1.00 H new ATOM 0 HG23 THR A 74 13.584 4.285 -9.780 1.00 1.00 H new ATOM 1085 N TYR A 75 14.416 3.394 -5.943 1.00 1.00 N ATOM 1086 CA TYR A 75 15.755 2.931 -5.601 1.00 1.00 C ATOM 1087 C TYR A 75 15.791 1.404 -5.541 1.00 1.00 C ATOM 1088 O TYR A 75 16.668 0.768 -6.126 1.00 1.00 O ATOM 1089 CB TYR A 75 16.164 3.511 -4.249 1.00 1.00 C ATOM 1090 CG TYR A 75 17.487 2.927 -3.828 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.526 1.748 -3.074 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.680 3.566 -4.191 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.758 1.209 -2.682 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.910 3.026 -3.798 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.950 1.847 -3.045 1.00 1.00 C ATOM 1096 OH TYR A 75 21.162 1.315 -2.659 1.00 1.00 O ATOM 0 H TYR A 75 13.948 3.921 -5.206 1.00 1.00 H new ATOM 0 HA TYR A 75 16.453 3.266 -6.368 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.239 4.596 -4.315 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.403 3.289 -3.501 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.607 1.254 -2.795 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.650 4.475 -4.774 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.788 0.300 -2.099 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.829 3.520 -4.076 1.00 1.00 H new ATOM 0 HH TYR A 75 21.889 1.880 -2.994 1.00 1.00 H new ATOM 1106 N LEU A 76 14.829 0.828 -4.830 1.00 1.00 N ATOM 1107 CA LEU A 76 14.744 -0.623 -4.694 1.00 1.00 C ATOM 1108 C LEU A 76 14.484 -1.285 -6.043 1.00 1.00 C ATOM 1109 O LEU A 76 15.015 -2.359 -6.329 1.00 1.00 O ATOM 1110 CB LEU A 76 13.606 -0.985 -3.735 1.00 1.00 C ATOM 1111 CG LEU A 76 13.714 -2.462 -3.326 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.965 -2.693 -2.470 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.472 -2.860 -2.519 1.00 1.00 C ATOM 0 H LEU A 76 14.097 1.342 -4.339 1.00 1.00 H new ATOM 0 HA LEU A 76 15.696 -0.983 -4.303 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.649 -0.350 -2.850 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.644 -0.801 -4.213 1.00 1.00 H new ATOM 0 HG LEU A 76 13.785 -3.070 -4.228 1.00 1.00 H new ATOM 0 HD11 LEU A 76 15.025 -3.745 -2.190 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.852 -2.418 -3.041 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.908 -2.080 -1.570 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.547 -3.908 -2.228 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.404 -2.239 -1.625 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.580 -2.716 -3.129 1.00 1.00 H new ATOM 1125 N LYS A 77 13.660 -0.644 -6.868 1.00 1.00 N ATOM 1126 CA LYS A 77 13.336 -1.187 -8.177 1.00 1.00 C ATOM 1127 C LYS A 77 14.609 -1.386 -8.992 1.00 1.00 C ATOM 1128 O LYS A 77 14.759 -2.388 -9.691 1.00 1.00 O ATOM 1129 CB LYS A 77 12.357 -0.241 -8.893 1.00 1.00 C ATOM 1130 CG LYS A 77 12.714 -0.104 -10.376 1.00 1.00 C ATOM 1131 CD LYS A 77 11.572 0.602 -11.113 1.00 1.00 C ATOM 1132 CE LYS A 77 11.370 2.004 -10.536 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.761 2.886 -11.572 1.00 1.00 N ATOM 0 H LYS A 77 13.209 0.245 -6.652 1.00 1.00 H new ATOM 0 HA LYS A 77 12.858 -2.160 -8.064 1.00 1.00 H new ATOM 0 HB2 LYS A 77 11.340 -0.620 -8.793 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.379 0.740 -8.418 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.638 0.463 -10.488 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.889 -1.088 -10.811 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.799 0.666 -12.177 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.653 0.024 -11.017 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.726 1.958 -9.658 1.00 1.00 H new ATOM 0 HE3 LYS A 77 12.325 2.415 -10.209 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 10.624 3.839 -11.179 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 11.392 2.939 -12.397 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.842 2.496 -11.863 1.00 1.00 H new ATOM 1147 N LYS A 78 15.527 -0.431 -8.895 1.00 1.00 N ATOM 1148 CA LYS A 78 16.782 -0.523 -9.627 1.00 1.00 C ATOM 1149 C LYS A 78 17.623 -1.674 -9.085 1.00 1.00 C ATOM 1150 O LYS A 78 18.318 -2.355 -9.837 1.00 1.00 O ATOM 1151 CB LYS A 78 17.561 0.788 -9.500 1.00 1.00 C ATOM 1152 CG LYS A 78 17.171 1.727 -10.643 1.00 1.00 C ATOM 1153 CD LYS A 78 17.450 3.174 -10.234 1.00 1.00 C ATOM 1154 CE LYS A 78 18.931 3.330 -9.887 1.00 1.00 C ATOM 1155 NZ LYS A 78 19.120 3.150 -8.420 1.00 1.00 N ATOM 0 H LYS A 78 15.427 0.407 -8.323 1.00 1.00 H new ATOM 0 HA LYS A 78 16.560 -0.707 -10.678 1.00 1.00 H new ATOM 0 HB2 LYS A 78 17.348 1.258 -8.540 1.00 1.00 H new ATOM 0 HB3 LYS A 78 18.633 0.591 -9.527 1.00 1.00 H new ATOM 0 HG2 LYS A 78 17.735 1.477 -11.541 1.00 1.00 H new ATOM 0 HG3 LYS A 78 16.115 1.604 -10.885 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.183 3.850 -11.046 1.00 1.00 H new ATOM 0 HD3 LYS A 78 16.834 3.446 -9.377 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.523 2.595 -10.433 1.00 1.00 H new ATOM 0 HE3 LYS A 78 19.285 4.315 -10.192 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 19.804 3.851 -8.069 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 18.210 3.281 -7.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 19.478 2.192 -8.231 1.00 1.00 H new ATOM 1169 N LEU A 79 17.542 -1.890 -7.776 1.00 1.00 N ATOM 1170 CA LEU A 79 18.293 -2.968 -7.142 1.00 1.00 C ATOM 1171 C LEU A 79 17.741 -4.324 -7.570 1.00 1.00 C ATOM 1172 O LEU A 79 18.494 -5.222 -7.947 1.00 1.00 O ATOM 1173 CB LEU A 79 18.206 -2.837 -5.619 1.00 1.00 C ATOM 1174 CG LEU A 79 19.476 -2.168 -5.089 1.00 1.00 C ATOM 1175 CD1 LEU A 79 19.637 -0.792 -5.737 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.370 -2.007 -3.572 1.00 1.00 C ATOM 0 H LEU A 79 16.969 -1.338 -7.138 1.00 1.00 H new ATOM 0 HA LEU A 79 19.335 -2.896 -7.454 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.331 -2.249 -5.344 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.084 -3.821 -5.165 1.00 1.00 H new ATOM 0 HG LEU A 79 20.341 -2.786 -5.331 1.00 1.00 H new ATOM 0 HD11 LEU A 79 20.542 -0.316 -5.359 1.00 1.00 H new ATOM 0 HD12 LEU A 79 19.711 -0.906 -6.819 1.00 1.00 H new ATOM 0 HD13 LEU A 79 18.773 -0.173 -5.496 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.274 -1.531 -3.193 1.00 1.00 H new ATOM 0 HD22 LEU A 79 18.505 -1.388 -3.331 1.00 1.00 H new ATOM 0 HD23 LEU A 79 19.255 -2.987 -3.109 1.00 1.00 H new ATOM 1188 N ILE A 80 16.420 -4.465 -7.514 1.00 1.00 N ATOM 1189 CA ILE A 80 15.780 -5.715 -7.904 1.00 1.00 C ATOM 1190 C ILE A 80 15.901 -5.929 -9.410 1.00 1.00 C ATOM 1191 O ILE A 80 16.135 -7.046 -9.872 1.00 1.00 O ATOM 1192 CB ILE A 80 14.305 -5.706 -7.498 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.198 -5.505 -5.982 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.663 -7.040 -7.887 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.730 -5.332 -5.579 1.00 1.00 C ATOM 0 H ILE A 80 15.777 -3.736 -7.205 1.00 1.00 H new ATOM 0 HA ILE A 80 16.284 -6.533 -7.390 1.00 1.00 H new ATOM 0 HB ILE A 80 13.788 -4.894 -8.009 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.628 -6.361 -5.462 1.00 1.00 H new ATOM 0 HG13 ILE A 80 14.772 -4.628 -5.682 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.612 -7.036 -7.599 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.743 -7.182 -8.965 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.176 -7.854 -7.375 1.00 1.00 H new ATOM 0 HD11 ILE A 80 12.663 -5.190 -4.500 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.314 -4.462 -6.086 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.167 -6.221 -5.863 1.00 1.00 H new ATOM 1207 N ALA A 81 15.736 -4.850 -10.168 1.00 1.00 N ATOM 1208 CA ALA A 81 15.824 -4.929 -11.621 1.00 1.00 C ATOM 1209 C ALA A 81 17.261 -5.197 -12.060 1.00 1.00 C ATOM 1210 O ALA A 81 17.495 -5.799 -13.107 1.00 1.00 O ATOM 1211 CB ALA A 81 15.334 -3.621 -12.246 1.00 1.00 C ATOM 0 H ALA A 81 15.542 -3.917 -9.804 1.00 1.00 H new ATOM 0 HA ALA A 81 15.194 -5.752 -11.958 1.00 1.00 H new ATOM 0 HB1 ALA A 81 15.403 -3.688 -13.332 1.00 1.00 H new ATOM 0 HB2 ALA A 81 14.297 -3.446 -11.958 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.952 -2.795 -11.894 1.00 1.00 H new ATOM 1217 N THR A 82 18.219 -4.747 -11.255 1.00 1.00 N ATOM 1218 CA THR A 82 19.626 -4.947 -11.579 1.00 1.00 C ATOM 1219 C THR A 82 20.056 -6.373 -11.246 1.00 1.00 C ATOM 1220 O THR A 82 20.140 -7.224 -12.130 1.00 1.00 O ATOM 1221 CB THR A 82 20.494 -3.956 -10.800 1.00 1.00 C ATOM 1222 OG1 THR A 82 20.058 -3.906 -9.449 1.00 1.00 O ATOM 1223 CG2 THR A 82 20.379 -2.567 -11.432 1.00 1.00 C ATOM 0 H THR A 82 18.049 -4.247 -10.383 1.00 1.00 H new ATOM 0 HA THR A 82 19.757 -4.779 -12.648 1.00 1.00 H new ATOM 0 HB THR A 82 21.534 -4.280 -10.832 1.00 1.00 H new ATOM 0 HG1 THR A 82 19.568 -3.071 -9.294 1.00 1.00 H new ATOM 0 HG21 THR A 82 20.998 -1.862 -10.876 1.00 1.00 H new ATOM 0 HG22 THR A 82 20.717 -2.609 -12.467 1.00 1.00 H new ATOM 0 HG23 THR A 82 19.340 -2.239 -11.403 1.00 1.00 H new ATOM 1231 N ASN A 83 20.327 -6.624 -9.968 1.00 1.00 N ATOM 1232 CA ASN A 83 20.752 -7.953 -9.533 1.00 1.00 C ATOM 1233 C ASN A 83 21.196 -7.933 -8.068 1.00 1.00 C ATOM 1234 O ASN A 83 22.040 -8.728 -7.651 1.00 1.00 O ATOM 1235 CB ASN A 83 21.913 -8.436 -10.418 1.00 1.00 C ATOM 1236 CG ASN A 83 22.767 -7.245 -10.831 1.00 1.00 C ATOM 1237 OD1 ASN A 83 23.438 -7.285 -11.863 1.00 1.00 O ATOM 1238 ND2 ASN A 83 22.791 -6.180 -10.076 1.00 1.00 N ATOM 0 H ASN A 83 20.261 -5.933 -9.221 1.00 1.00 H new ATOM 0 HA ASN A 83 19.907 -8.635 -9.627 1.00 1.00 H new ATOM 0 HB2 ASN A 83 22.520 -9.161 -9.876 1.00 1.00 H new ATOM 0 HB3 ASN A 83 21.524 -8.942 -11.302 1.00 1.00 H new ATOM 0 HD21 ASN A 83 23.366 -5.380 -10.341 1.00 1.00 H new ATOM 0 HD22 ASN A 83 22.235 -6.148 -9.222 1.00 1.00 H new ATOM 1245 N ASN A 84 20.627 -7.022 -7.285 1.00 1.00 N ATOM 1246 CA ASN A 84 20.983 -6.920 -5.874 1.00 1.00 C ATOM 1247 C ASN A 84 20.111 -7.846 -5.033 1.00 1.00 C ATOM 1248 O ASN A 84 20.486 -8.216 -3.921 1.00 1.00 O ATOM 1249 CB ASN A 84 20.821 -5.478 -5.396 1.00 1.00 C ATOM 1250 CG ASN A 84 22.079 -4.681 -5.723 1.00 1.00 C ATOM 1251 OD1 ASN A 84 22.832 -4.308 -4.823 1.00 1.00 O ATOM 1252 ND2 ASN A 84 22.356 -4.400 -6.968 1.00 1.00 N ATOM 0 H ASN A 84 19.926 -6.351 -7.598 1.00 1.00 H new ATOM 0 HA ASN A 84 22.024 -7.221 -5.758 1.00 1.00 H new ATOM 0 HB2 ASN A 84 19.955 -5.021 -5.876 1.00 1.00 H new ATOM 0 HB3 ASN A 84 20.637 -5.460 -4.322 1.00 1.00 H new ATOM 0 HD21 ASN A 84 23.197 -3.871 -7.196 1.00 1.00 H new ATOM 0 HD22 ASN A 84 21.731 -4.710 -7.712 1.00 1.00 H new ATOM 1259 N VAL A 85 18.945 -8.197 -5.578 1.00 1.00 N ATOM 1260 CA VAL A 85 17.990 -9.076 -4.895 1.00 1.00 C ATOM 1261 C VAL A 85 18.697 -10.032 -3.931 1.00 1.00 C ATOM 1262 O VAL A 85 19.066 -11.149 -4.295 1.00 1.00 O ATOM 1263 CB VAL A 85 17.193 -9.886 -5.929 1.00 1.00 C ATOM 1264 CG1 VAL A 85 15.739 -9.412 -5.949 1.00 1.00 C ATOM 1265 CG2 VAL A 85 17.805 -9.689 -7.318 1.00 1.00 C ATOM 0 H VAL A 85 18.636 -7.884 -6.498 1.00 1.00 H new ATOM 0 HA VAL A 85 17.314 -8.447 -4.316 1.00 1.00 H new ATOM 0 HB VAL A 85 17.228 -10.941 -5.658 1.00 1.00 H new ATOM 0 HG11 VAL A 85 15.178 -9.990 -6.684 1.00 1.00 H new ATOM 0 HG12 VAL A 85 15.297 -9.553 -4.963 1.00 1.00 H new ATOM 0 HG13 VAL A 85 15.704 -8.355 -6.215 1.00 1.00 H new ATOM 0 HG21 VAL A 85 17.238 -10.264 -8.050 1.00 1.00 H new ATOM 0 HG22 VAL A 85 17.773 -8.632 -7.583 1.00 1.00 H new ATOM 0 HG23 VAL A 85 18.840 -10.030 -7.311 1.00 1.00 H new ATOM 1275 N THR A 86 18.877 -9.579 -2.694 1.00 1.00 N ATOM 1276 CA THR A 86 19.533 -10.392 -1.674 1.00 1.00 C ATOM 1277 C THR A 86 19.144 -9.904 -0.283 1.00 1.00 C ATOM 1278 O THR A 86 19.606 -10.439 0.725 1.00 1.00 O ATOM 1279 CB THR A 86 21.058 -10.318 -1.829 1.00 1.00 C ATOM 1280 OG1 THR A 86 21.457 -8.958 -1.896 1.00 1.00 O ATOM 1281 CG2 THR A 86 21.497 -11.044 -3.105 1.00 1.00 C ATOM 0 H THR A 86 18.579 -8.657 -2.374 1.00 1.00 H new ATOM 0 HA THR A 86 19.210 -11.425 -1.800 1.00 1.00 H new ATOM 0 HB THR A 86 21.527 -10.799 -0.971 1.00 1.00 H new ATOM 0 HG1 THR A 86 21.389 -8.642 -2.821 1.00 1.00 H new ATOM 0 HG21 THR A 86 22.581 -10.984 -3.203 1.00 1.00 H new ATOM 0 HG22 THR A 86 21.195 -12.090 -3.051 1.00 1.00 H new ATOM 0 HG23 THR A 86 21.028 -10.575 -3.970 1.00 1.00 H new ATOM 1289 N HIS A 87 18.293 -8.882 -0.235 1.00 1.00 N ATOM 1290 CA HIS A 87 17.851 -8.330 1.044 1.00 1.00 C ATOM 1291 C HIS A 87 16.505 -7.629 0.897 1.00 1.00 C ATOM 1292 O HIS A 87 16.185 -7.091 -0.163 1.00 1.00 O ATOM 1293 CB HIS A 87 18.889 -7.337 1.571 1.00 1.00 C ATOM 1294 CG HIS A 87 18.381 -6.717 2.844 1.00 1.00 C ATOM 1295 ND1 HIS A 87 18.700 -7.226 4.093 1.00 1.00 N ATOM 1296 CD2 HIS A 87 17.566 -5.636 3.076 1.00 1.00 C ATOM 1297 CE1 HIS A 87 18.086 -6.459 5.012 1.00 1.00 C ATOM 1298 NE2 HIS A 87 17.382 -5.476 4.446 1.00 1.00 N ATOM 0 H HIS A 87 17.899 -8.423 -1.056 1.00 1.00 H new ATOM 0 HA HIS A 87 17.741 -9.153 1.750 1.00 1.00 H new ATOM 0 HB2 HIS A 87 19.836 -7.845 1.753 1.00 1.00 H new ATOM 0 HB3 HIS A 87 19.080 -6.564 0.827 1.00 1.00 H new ATOM 0 HD1 HIS A 87 19.292 -8.035 4.281 1.00 1.00 H new ATOM 0 HD2 HIS A 87 17.134 -5.007 2.312 1.00 1.00 H new ATOM 0 HE1 HIS A 87 18.154 -6.619 6.078 1.00 1.00 H new ATOM 1306 N LYS A 88 15.719 -7.637 1.971 1.00 1.00 N ATOM 1307 CA LYS A 88 14.408 -6.998 1.956 1.00 1.00 C ATOM 1308 C LYS A 88 14.455 -5.650 2.671 1.00 1.00 C ATOM 1309 O LYS A 88 14.837 -5.568 3.838 1.00 1.00 O ATOM 1310 CB LYS A 88 13.379 -7.901 2.641 1.00 1.00 C ATOM 1311 CG LYS A 88 13.452 -9.306 2.036 1.00 1.00 C ATOM 1312 CD LYS A 88 13.972 -10.289 3.086 1.00 1.00 C ATOM 1313 CE LYS A 88 12.939 -10.433 4.207 1.00 1.00 C ATOM 1314 NZ LYS A 88 13.579 -10.121 5.516 1.00 1.00 N ATOM 0 H LYS A 88 15.966 -8.077 2.858 1.00 1.00 H new ATOM 0 HA LYS A 88 14.119 -6.835 0.918 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.573 -7.944 3.713 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.377 -7.490 2.515 1.00 1.00 H new ATOM 0 HG2 LYS A 88 12.466 -9.616 1.690 1.00 1.00 H new ATOM 0 HG3 LYS A 88 14.109 -9.305 1.167 1.00 1.00 H new ATOM 0 HD2 LYS A 88 14.164 -11.259 2.628 1.00 1.00 H new ATOM 0 HD3 LYS A 88 14.919 -9.935 3.493 1.00 1.00 H new ATOM 0 HE2 LYS A 88 12.100 -9.760 4.031 1.00 1.00 H new ATOM 0 HE3 LYS A 88 12.538 -11.447 4.219 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 12.877 -10.219 6.277 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 14.366 -10.780 5.684 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 13.941 -9.146 5.502 1.00 1.00 H new ATOM 1328 N ILE A 89 14.065 -4.597 1.960 1.00 1.00 N ATOM 1329 CA ILE A 89 14.067 -3.255 2.530 1.00 1.00 C ATOM 1330 C ILE A 89 13.423 -3.255 3.917 1.00 1.00 C ATOM 1331 O ILE A 89 12.558 -4.079 4.212 1.00 1.00 O ATOM 1332 CB ILE A 89 13.331 -2.287 1.579 1.00 1.00 C ATOM 1333 CG1 ILE A 89 14.372 -1.386 0.899 1.00 1.00 C ATOM 1334 CG2 ILE A 89 12.311 -1.420 2.343 1.00 1.00 C ATOM 1335 CD1 ILE A 89 13.694 -0.444 -0.095 1.00 1.00 C ATOM 0 H ILE A 89 13.745 -4.646 0.993 1.00 1.00 H new ATOM 0 HA ILE A 89 15.098 -2.919 2.645 1.00 1.00 H new ATOM 0 HB ILE A 89 12.783 -2.867 0.836 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.908 -0.807 1.651 1.00 1.00 H new ATOM 0 HG13 ILE A 89 15.111 -1.999 0.383 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.809 -0.749 1.646 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.573 -2.063 2.822 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.828 -0.834 3.102 1.00 1.00 H new ATOM 0 HD11 ILE A 89 14.446 0.188 -0.568 1.00 1.00 H new ATOM 0 HD12 ILE A 89 13.179 -1.029 -0.857 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.973 0.182 0.431 1.00 1.00 H new ATOM 1347 N THR A 90 13.848 -2.312 4.754 1.00 1.00 N ATOM 1348 CA THR A 90 13.306 -2.191 6.101 1.00 1.00 C ATOM 1349 C THR A 90 13.032 -0.724 6.433 1.00 1.00 C ATOM 1350 O THR A 90 13.336 0.169 5.641 1.00 1.00 O ATOM 1351 CB THR A 90 14.290 -2.772 7.120 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.396 -1.893 7.262 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.778 -4.138 6.636 1.00 1.00 C ATOM 0 H THR A 90 14.564 -1.623 4.523 1.00 1.00 H new ATOM 0 HA THR A 90 12.370 -2.748 6.148 1.00 1.00 H new ATOM 0 HB THR A 90 13.793 -2.887 8.083 1.00 1.00 H new ATOM 0 HG1 THR A 90 16.026 -2.263 7.915 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.479 -4.552 7.361 1.00 1.00 H new ATOM 0 HG22 THR A 90 13.927 -4.811 6.528 1.00 1.00 H new ATOM 0 HG23 THR A 90 15.276 -4.026 5.673 1.00 1.00 H new ATOM 1361 N GLU A 91 12.455 -0.485 7.606 1.00 1.00 N ATOM 1362 CA GLU A 91 12.139 0.874 8.039 1.00 1.00 C ATOM 1363 C GLU A 91 13.388 1.748 8.045 1.00 1.00 C ATOM 1364 O GLU A 91 13.317 2.961 7.845 1.00 1.00 O ATOM 1365 CB GLU A 91 11.542 0.842 9.448 1.00 1.00 C ATOM 1366 CG GLU A 91 12.635 0.476 10.455 1.00 1.00 C ATOM 1367 CD GLU A 91 13.320 1.736 10.969 1.00 1.00 C ATOM 1368 OE1 GLU A 91 12.627 2.593 11.496 1.00 1.00 O ATOM 1369 OE2 GLU A 91 14.529 1.825 10.836 1.00 1.00 O ATOM 0 H GLU A 91 12.197 -1.212 8.273 1.00 1.00 H new ATOM 0 HA GLU A 91 11.419 1.296 7.338 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.114 1.813 9.696 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.731 0.115 9.495 1.00 1.00 H new ATOM 0 HG2 GLU A 91 12.201 -0.077 11.288 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.368 -0.179 9.985 1.00 1.00 H new ATOM 1376 N ALA A 92 14.530 1.121 8.291 1.00 1.00 N ATOM 1377 CA ALA A 92 15.795 1.844 8.342 1.00 1.00 C ATOM 1378 C ALA A 92 16.344 2.078 6.942 1.00 1.00 C ATOM 1379 O ALA A 92 16.925 3.125 6.659 1.00 1.00 O ATOM 1380 CB ALA A 92 16.814 1.054 9.164 1.00 1.00 C ATOM 0 H ALA A 92 14.608 0.118 8.458 1.00 1.00 H new ATOM 0 HA ALA A 92 15.615 2.811 8.812 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.757 1.600 9.198 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.437 0.918 10.178 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.976 0.079 8.704 1.00 1.00 H new ATOM 1386 N GLU A 93 16.158 1.097 6.068 1.00 1.00 N ATOM 1387 CA GLU A 93 16.641 1.213 4.700 1.00 1.00 C ATOM 1388 C GLU A 93 15.910 2.332 3.969 1.00 1.00 C ATOM 1389 O GLU A 93 16.533 3.166 3.320 1.00 1.00 O ATOM 1390 CB GLU A 93 16.430 -0.103 3.960 1.00 1.00 C ATOM 1391 CG GLU A 93 17.046 -1.249 4.765 1.00 1.00 C ATOM 1392 CD GLU A 93 18.062 -2.000 3.909 1.00 1.00 C ATOM 1393 OE1 GLU A 93 17.642 -2.698 3.001 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.245 -1.872 4.180 1.00 1.00 O ATOM 0 H GLU A 93 15.681 0.221 6.280 1.00 1.00 H new ATOM 0 HA GLU A 93 17.705 1.446 4.728 1.00 1.00 H new ATOM 0 HB2 GLU A 93 15.365 -0.281 3.811 1.00 1.00 H new ATOM 0 HB3 GLU A 93 16.886 -0.053 2.971 1.00 1.00 H new ATOM 0 HG2 GLU A 93 17.530 -0.857 5.659 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.264 -1.931 5.099 1.00 1.00 H new ATOM 1401 N ILE A 94 14.586 2.349 4.081 1.00 1.00 N ATOM 1402 CA ILE A 94 13.794 3.377 3.416 1.00 1.00 C ATOM 1403 C ILE A 94 14.153 4.751 3.957 1.00 1.00 C ATOM 1404 O ILE A 94 14.369 5.688 3.193 1.00 1.00 O ATOM 1405 CB ILE A 94 12.304 3.113 3.642 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.818 2.067 2.638 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.517 4.410 3.447 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.591 1.341 3.194 1.00 1.00 C ATOM 0 H ILE A 94 14.044 1.672 4.619 1.00 1.00 H new ATOM 0 HA ILE A 94 14.010 3.347 2.348 1.00 1.00 H new ATOM 0 HB ILE A 94 12.150 2.747 4.657 1.00 1.00 H new ATOM 0 HG12 ILE A 94 11.569 2.547 1.691 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.613 1.350 2.433 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.456 4.220 3.608 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.864 5.157 4.161 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.669 4.779 2.433 1.00 1.00 H new ATOM 0 HD11 ILE A 94 10.251 0.598 2.473 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.854 0.846 4.129 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.794 2.061 3.376 1.00 1.00 H new ATOM 1420 N VAL A 95 14.242 4.856 5.276 1.00 1.00 N ATOM 1421 CA VAL A 95 14.600 6.114 5.913 1.00 1.00 C ATOM 1422 C VAL A 95 16.013 6.522 5.514 1.00 1.00 C ATOM 1423 O VAL A 95 16.297 7.700 5.304 1.00 1.00 O ATOM 1424 CB VAL A 95 14.510 5.975 7.436 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.433 6.996 8.109 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.069 6.227 7.885 1.00 1.00 C ATOM 0 H VAL A 95 14.071 4.087 5.924 1.00 1.00 H new ATOM 0 HA VAL A 95 13.903 6.884 5.583 1.00 1.00 H new ATOM 0 HB VAL A 95 14.816 4.969 7.721 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.364 6.891 9.192 1.00 1.00 H new ATOM 0 HG12 VAL A 95 16.461 6.821 7.793 1.00 1.00 H new ATOM 0 HG13 VAL A 95 15.132 8.003 7.822 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.003 6.128 8.969 1.00 1.00 H new ATOM 0 HG22 VAL A 95 12.768 7.233 7.593 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.408 5.499 7.414 1.00 1.00 H new ATOM 1436 N SER A 96 16.899 5.535 5.437 1.00 1.00 N ATOM 1437 CA SER A 96 18.294 5.794 5.090 1.00 1.00 C ATOM 1438 C SER A 96 18.401 6.501 3.744 1.00 1.00 C ATOM 1439 O SER A 96 19.138 7.479 3.610 1.00 1.00 O ATOM 1440 CB SER A 96 19.070 4.478 5.038 1.00 1.00 C ATOM 1441 OG SER A 96 20.112 4.584 4.076 1.00 1.00 O ATOM 0 H SER A 96 16.679 4.554 5.609 1.00 1.00 H new ATOM 0 HA SER A 96 18.719 6.442 5.856 1.00 1.00 H new ATOM 0 HB2 SER A 96 19.487 4.250 6.019 1.00 1.00 H new ATOM 0 HB3 SER A 96 18.401 3.658 4.777 1.00 1.00 H new ATOM 0 HG SER A 96 20.612 3.742 4.042 1.00 1.00 H new ATOM 1447 N ILE A 97 17.665 6.019 2.751 1.00 1.00 N ATOM 1448 CA ILE A 97 17.700 6.646 1.437 1.00 1.00 C ATOM 1449 C ILE A 97 16.896 7.944 1.471 1.00 1.00 C ATOM 1450 O ILE A 97 17.293 8.945 0.875 1.00 1.00 O ATOM 1451 CB ILE A 97 17.153 5.686 0.373 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.874 4.342 0.496 1.00 1.00 C ATOM 1453 CG2 ILE A 97 17.415 6.252 -1.026 1.00 1.00 C ATOM 1454 CD1 ILE A 97 17.571 3.487 -0.733 1.00 1.00 C ATOM 0 H ILE A 97 17.047 5.211 2.827 1.00 1.00 H new ATOM 0 HA ILE A 97 18.732 6.881 1.174 1.00 1.00 H new ATOM 0 HB ILE A 97 16.081 5.560 0.523 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.949 4.501 0.586 1.00 1.00 H new ATOM 0 HG13 ILE A 97 17.551 3.826 1.400 1.00 1.00 H new ATOM 0 HG21 ILE A 97 17.024 5.564 -1.776 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.920 7.218 -1.126 1.00 1.00 H new ATOM 0 HG23 ILE A 97 18.488 6.377 -1.173 1.00 1.00 H new ATOM 0 HD11 ILE A 97 18.085 2.530 -0.646 1.00 1.00 H new ATOM 0 HD12 ILE A 97 16.496 3.318 -0.802 1.00 1.00 H new ATOM 0 HD13 ILE A 97 17.916 4.003 -1.629 1.00 1.00 H new ATOM 1466 N LEU A 98 15.775 7.930 2.192 1.00 1.00 N ATOM 1467 CA LEU A 98 14.946 9.127 2.313 1.00 1.00 C ATOM 1468 C LEU A 98 15.805 10.274 2.830 1.00 1.00 C ATOM 1469 O LEU A 98 15.750 11.393 2.319 1.00 1.00 O ATOM 1470 CB LEU A 98 13.790 8.870 3.289 1.00 1.00 C ATOM 1471 CG LEU A 98 12.589 9.757 2.935 1.00 1.00 C ATOM 1472 CD1 LEU A 98 11.429 9.448 3.885 1.00 1.00 C ATOM 1473 CD2 LEU A 98 12.973 11.233 3.074 1.00 1.00 C ATOM 0 H LEU A 98 15.424 7.115 2.694 1.00 1.00 H new ATOM 0 HA LEU A 98 14.533 9.383 1.337 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.499 7.820 3.251 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.114 9.075 4.309 1.00 1.00 H new ATOM 0 HG LEU A 98 12.288 9.556 1.907 1.00 1.00 H new ATOM 0 HD11 LEU A 98 10.576 10.078 3.634 1.00 1.00 H new ATOM 0 HD12 LEU A 98 11.148 8.400 3.787 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.737 9.646 4.912 1.00 1.00 H new ATOM 0 HD21 LEU A 98 12.116 11.857 2.821 1.00 1.00 H new ATOM 0 HD22 LEU A 98 13.278 11.434 4.101 1.00 1.00 H new ATOM 0 HD23 LEU A 98 13.798 11.459 2.399 1.00 1.00 H new ATOM 1485 N ASN A 99 16.613 9.972 3.839 1.00 1.00 N ATOM 1486 CA ASN A 99 17.505 10.963 4.425 1.00 1.00 C ATOM 1487 C ASN A 99 18.497 11.459 3.376 1.00 1.00 C ATOM 1488 O ASN A 99 18.907 12.620 3.390 1.00 1.00 O ATOM 1489 CB ASN A 99 18.260 10.341 5.602 1.00 1.00 C ATOM 1490 CG ASN A 99 17.911 11.074 6.891 1.00 1.00 C ATOM 1491 OD1 ASN A 99 18.655 11.951 7.330 1.00 1.00 O ATOM 1492 ND2 ASN A 99 16.815 10.767 7.530 1.00 1.00 N ATOM 0 H ASN A 99 16.668 9.048 4.268 1.00 1.00 H new ATOM 0 HA ASN A 99 16.916 11.809 4.781 1.00 1.00 H new ATOM 0 HB2 ASN A 99 18.003 9.286 5.693 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.334 10.393 5.424 1.00 1.00 H new ATOM 0 HD21 ASN A 99 16.575 11.254 8.393 1.00 1.00 H new ATOM 0 HD22 ASN A 99 16.199 10.040 7.166 1.00 1.00 H new ATOM 1499 N GLY A 100 18.871 10.564 2.466 1.00 1.00 N ATOM 1500 CA GLY A 100 19.812 10.908 1.406 1.00 1.00 C ATOM 1501 C GLY A 100 19.107 11.641 0.269 1.00 1.00 C ATOM 1502 O GLY A 100 19.701 12.486 -0.402 1.00 1.00 O ATOM 0 H GLY A 100 18.539 9.600 2.441 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.608 11.534 1.810 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.282 10.002 1.024 1.00 1.00 H new ATOM 1506 N ILE A 101 17.835 11.313 0.057 1.00 1.00 N ATOM 1507 CA ILE A 101 17.055 11.945 -1.002 1.00 1.00 C ATOM 1508 C ILE A 101 16.700 13.380 -0.624 1.00 1.00 C ATOM 1509 O ILE A 101 16.664 14.267 -1.477 1.00 1.00 O ATOM 1510 CB ILE A 101 15.777 11.140 -1.254 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.120 9.910 -2.096 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.754 11.999 -2.001 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.260 8.727 -1.651 1.00 1.00 C ATOM 0 H ILE A 101 17.325 10.617 0.601 1.00 1.00 H new ATOM 0 HA ILE A 101 17.654 11.966 -1.912 1.00 1.00 H new ATOM 0 HB ILE A 101 15.351 10.831 -0.300 1.00 1.00 H new ATOM 0 HG12 ILE A 101 15.949 10.120 -3.152 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.177 9.666 -1.987 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.849 11.417 -2.175 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.511 12.878 -1.404 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.172 12.314 -2.957 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.506 7.852 -2.252 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.453 8.511 -0.600 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.206 8.973 -1.783 1.00 1.00 H new ATOM 1525 N ALA A 102 16.444 13.602 0.661 1.00 1.00 N ATOM 1526 CA ALA A 102 16.097 14.934 1.142 1.00 1.00 C ATOM 1527 C ALA A 102 17.251 15.902 0.905 1.00 1.00 C ATOM 1528 O ALA A 102 17.038 17.093 0.673 1.00 1.00 O ATOM 1529 CB ALA A 102 15.772 14.881 2.636 1.00 1.00 C ATOM 0 H ALA A 102 16.470 12.882 1.383 1.00 1.00 H new ATOM 0 HA ALA A 102 15.223 15.284 0.593 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.514 15.880 2.988 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.930 14.209 2.802 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.640 14.516 3.185 1.00 1.00 H new ATOM 1535 N LYS A 103 18.473 15.384 0.965 1.00 1.00 N ATOM 1536 CA LYS A 103 19.655 16.212 0.755 1.00 1.00 C ATOM 1537 C LYS A 103 19.857 16.490 -0.731 1.00 1.00 C ATOM 1538 O LYS A 103 20.329 17.561 -1.112 1.00 1.00 O ATOM 1539 CB LYS A 103 20.891 15.507 1.319 1.00 1.00 C ATOM 1540 CG LYS A 103 22.092 16.453 1.255 1.00 1.00 C ATOM 1541 CD LYS A 103 23.315 15.766 1.868 1.00 1.00 C ATOM 1542 CE LYS A 103 23.713 16.488 3.157 1.00 1.00 C ATOM 1543 NZ LYS A 103 24.926 15.842 3.733 1.00 1.00 N ATOM 0 H LYS A 103 18.670 14.402 1.156 1.00 1.00 H new ATOM 0 HA LYS A 103 19.510 17.160 1.273 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.710 15.201 2.349 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.098 14.601 0.749 1.00 1.00 H new ATOM 0 HG2 LYS A 103 22.297 16.729 0.221 1.00 1.00 H new ATOM 0 HG3 LYS A 103 21.872 17.375 1.793 1.00 1.00 H new ATOM 0 HD2 LYS A 103 23.091 14.720 2.079 1.00 1.00 H new ATOM 0 HD3 LYS A 103 24.145 15.778 1.161 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.911 17.540 2.951 1.00 1.00 H new ATOM 0 HE3 LYS A 103 22.893 16.452 3.875 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 25.197 16.332 4.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 24.721 14.844 3.943 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 25.707 15.898 3.049 1.00 1.00 H new ATOM 1557 N GLN A 104 19.496 15.520 -1.564 1.00 1.00 N ATOM 1558 CA GLN A 104 19.641 15.673 -3.008 1.00 1.00 C ATOM 1559 C GLN A 104 18.485 16.486 -3.578 1.00 1.00 C ATOM 1560 O GLN A 104 18.695 17.506 -4.236 1.00 1.00 O ATOM 1561 CB GLN A 104 19.678 14.297 -3.677 1.00 1.00 C ATOM 1562 CG GLN A 104 20.875 13.504 -3.147 1.00 1.00 C ATOM 1563 CD GLN A 104 21.828 13.175 -4.290 1.00 1.00 C ATOM 1564 OE1 GLN A 104 22.533 14.055 -4.785 1.00 1.00 O ATOM 1565 NE2 GLN A 104 21.896 11.952 -4.741 1.00 1.00 N ATOM 0 H GLN A 104 19.104 14.626 -1.268 1.00 1.00 H new ATOM 0 HA GLN A 104 20.574 16.200 -3.208 1.00 1.00 H new ATOM 0 HB2 GLN A 104 18.753 13.758 -3.475 1.00 1.00 H new ATOM 0 HB3 GLN A 104 19.752 14.409 -4.759 1.00 1.00 H new ATOM 0 HG2 GLN A 104 21.395 14.082 -2.383 1.00 1.00 H new ATOM 0 HG3 GLN A 104 20.532 12.585 -2.672 1.00 1.00 H new ATOM 0 HE21 GLN A 104 21.312 11.224 -4.330 1.00 1.00 H new ATOM 0 HE22 GLN A 104 22.533 11.725 -5.504 1.00 1.00 H new ATOM 1574 N GLN A 105 17.262 16.031 -3.322 1.00 1.00 N ATOM 1575 CA GLN A 105 16.078 16.725 -3.815 1.00 1.00 C ATOM 1576 C GLN A 105 16.290 17.194 -5.251 1.00 1.00 C ATOM 1577 O GLN A 105 16.795 18.291 -5.487 1.00 1.00 O ATOM 1578 CB GLN A 105 15.771 17.930 -2.923 1.00 1.00 C ATOM 1579 CG GLN A 105 14.931 17.479 -1.726 1.00 1.00 C ATOM 1580 CD GLN A 105 13.447 17.560 -2.071 1.00 1.00 C ATOM 1581 OE1 GLN A 105 12.841 16.557 -2.448 1.00 1.00 O ATOM 1582 NE2 GLN A 105 12.824 18.700 -1.960 1.00 1.00 N ATOM 0 H GLN A 105 17.066 15.190 -2.779 1.00 1.00 H new ATOM 0 HA GLN A 105 15.237 16.032 -3.792 1.00 1.00 H new ATOM 0 HB2 GLN A 105 16.699 18.386 -2.578 1.00 1.00 H new ATOM 0 HB3 GLN A 105 15.234 18.689 -3.492 1.00 1.00 H new ATOM 0 HG2 GLN A 105 15.194 16.458 -1.451 1.00 1.00 H new ATOM 0 HG3 GLN A 105 15.147 18.107 -0.862 1.00 1.00 H new ATOM 0 HE21 GLN A 105 13.329 19.529 -1.647 1.00 1.00 H new ATOM 0 HE22 GLN A 105 11.831 18.763 -2.186 1.00 1.00 H new ATOM 1591 N ASN A 106 15.900 16.355 -6.206 1.00 1.00 N ATOM 1592 CA ASN A 106 16.052 16.695 -7.616 1.00 1.00 C ATOM 1593 C ASN A 106 14.717 17.136 -8.206 1.00 1.00 C ATOM 1594 O ASN A 106 14.670 17.745 -9.276 1.00 1.00 O ATOM 1595 CB ASN A 106 16.579 15.484 -8.389 1.00 1.00 C ATOM 1596 CG ASN A 106 16.612 14.259 -7.484 1.00 1.00 C ATOM 1597 OD1 ASN A 106 17.644 13.954 -6.886 1.00 1.00 O ATOM 1598 ND2 ASN A 106 15.534 13.534 -7.342 1.00 1.00 N ATOM 0 H ASN A 106 15.480 15.442 -6.031 1.00 1.00 H new ATOM 0 HA ASN A 106 16.763 17.517 -7.700 1.00 1.00 H new ATOM 0 HB2 ASN A 106 15.944 15.290 -9.253 1.00 1.00 H new ATOM 0 HB3 ASN A 106 17.579 15.692 -8.769 1.00 1.00 H new ATOM 0 HD21 ASN A 106 15.547 12.714 -6.735 1.00 1.00 H new ATOM 0 HD22 ASN A 106 14.680 13.788 -7.838 1.00 1.00 H new ATOM 1605 N SER A 107 13.633 16.825 -7.503 1.00 1.00 N ATOM 1606 CA SER A 107 12.300 17.194 -7.967 1.00 1.00 C ATOM 1607 C SER A 107 12.074 18.694 -7.806 1.00 1.00 C ATOM 1608 O SER A 107 12.927 19.407 -7.277 1.00 1.00 O ATOM 1609 CB SER A 107 11.241 16.429 -7.175 1.00 1.00 C ATOM 1610 OG SER A 107 10.983 17.112 -5.955 1.00 1.00 O ATOM 0 H SER A 107 13.650 16.322 -6.616 1.00 1.00 H new ATOM 0 HA SER A 107 12.219 16.937 -9.023 1.00 1.00 H new ATOM 0 HB2 SER A 107 10.324 16.344 -7.759 1.00 1.00 H new ATOM 0 HB3 SER A 107 11.584 15.415 -6.972 1.00 1.00 H new ATOM 0 HG SER A 107 10.303 16.625 -5.445 1.00 1.00 H new ATOM 1616 N GLN A 108 10.919 19.165 -8.265 1.00 1.00 N ATOM 1617 CA GLN A 108 10.591 20.584 -8.166 1.00 1.00 C ATOM 1618 C GLN A 108 9.674 20.839 -6.974 1.00 1.00 C ATOM 1619 O GLN A 108 10.109 20.800 -5.824 1.00 1.00 O ATOM 1620 CB GLN A 108 9.904 21.050 -9.450 1.00 1.00 C ATOM 1621 CG GLN A 108 8.871 20.009 -9.886 1.00 1.00 C ATOM 1622 CD GLN A 108 9.428 19.173 -11.034 1.00 1.00 C ATOM 1623 OE1 GLN A 108 10.534 18.643 -10.937 1.00 1.00 O ATOM 1624 NE2 GLN A 108 8.722 19.023 -12.121 1.00 1.00 N ATOM 0 H GLN A 108 10.200 18.591 -8.706 1.00 1.00 H new ATOM 0 HA GLN A 108 11.515 21.144 -8.025 1.00 1.00 H new ATOM 0 HB2 GLN A 108 9.419 22.012 -9.286 1.00 1.00 H new ATOM 0 HB3 GLN A 108 10.643 21.196 -10.238 1.00 1.00 H new ATOM 0 HG2 GLN A 108 8.615 19.364 -9.046 1.00 1.00 H new ATOM 0 HG3 GLN A 108 7.952 20.505 -10.198 1.00 1.00 H new ATOM 0 HE21 GLN A 108 7.805 19.464 -12.199 1.00 1.00 H new ATOM 0 HE22 GLN A 108 9.087 18.465 -12.893 1.00 1.00 H new ATOM 1633 N ASN A 109 8.402 21.101 -7.258 1.00 1.00 N ATOM 1634 CA ASN A 109 7.432 21.361 -6.200 1.00 1.00 C ATOM 1635 C ASN A 109 6.009 21.237 -6.735 1.00 1.00 C ATOM 1636 O ASN A 109 5.600 21.991 -7.621 1.00 1.00 O ATOM 1637 CB ASN A 109 7.645 22.766 -5.630 1.00 1.00 C ATOM 1638 CG ASN A 109 6.348 23.282 -5.018 1.00 1.00 C ATOM 1639 OD1 ASN A 109 6.139 23.159 -3.810 1.00 1.00 O ATOM 1640 ND2 ASN A 109 5.457 23.852 -5.782 1.00 1.00 N ATOM 0 H ASN A 109 8.021 21.139 -8.203 1.00 1.00 H new ATOM 0 HA ASN A 109 7.576 20.623 -5.411 1.00 1.00 H new ATOM 0 HB2 ASN A 109 8.430 22.746 -4.875 1.00 1.00 H new ATOM 0 HB3 ASN A 109 7.978 23.441 -6.419 1.00 1.00 H new ATOM 0 HD21 ASN A 109 4.586 24.197 -5.379 1.00 1.00 H new ATOM 0 HD22 ASN A 109 5.632 23.953 -6.782 1.00 1.00 H new ATOM 1647 N ASN A 110 5.259 20.285 -6.192 1.00 1.00 N ATOM 1648 CA ASN A 110 3.882 20.071 -6.622 1.00 1.00 C ATOM 1649 C ASN A 110 3.809 19.928 -8.139 1.00 1.00 C ATOM 1650 O ASN A 110 2.897 20.451 -8.778 1.00 1.00 O ATOM 1651 CB ASN A 110 3.007 21.246 -6.176 1.00 1.00 C ATOM 1652 CG ASN A 110 3.146 21.458 -4.672 1.00 1.00 C ATOM 1653 OD1 ASN A 110 4.190 21.150 -4.096 1.00 1.00 O ATOM 1654 ND2 ASN A 110 2.151 21.966 -4.000 1.00 1.00 N ATOM 0 H ASN A 110 5.578 19.653 -5.458 1.00 1.00 H new ATOM 0 HA ASN A 110 3.518 19.151 -6.164 1.00 1.00 H new ATOM 0 HB2 ASN A 110 3.300 22.151 -6.708 1.00 1.00 H new ATOM 0 HB3 ASN A 110 1.965 21.051 -6.429 1.00 1.00 H new ATOM 0 HD21 ASN A 110 2.236 22.110 -2.994 1.00 1.00 H new ATOM 0 HD22 ASN A 110 1.288 22.220 -4.481 1.00 1.00 H new ATOM 1661 N SER A 111 4.776 19.216 -8.708 1.00 1.00 N ATOM 1662 CA SER A 111 4.809 19.011 -10.152 1.00 1.00 C ATOM 1663 C SER A 111 3.426 18.628 -10.668 1.00 1.00 C ATOM 1664 O SER A 111 2.659 19.484 -11.110 1.00 1.00 O ATOM 1665 CB SER A 111 5.809 17.908 -10.499 1.00 1.00 C ATOM 1666 OG SER A 111 5.960 17.042 -9.383 1.00 1.00 O ATOM 0 H SER A 111 5.541 18.775 -8.197 1.00 1.00 H new ATOM 0 HA SER A 111 5.117 19.942 -10.627 1.00 1.00 H new ATOM 0 HB2 SER A 111 5.461 17.346 -11.366 1.00 1.00 H new ATOM 0 HB3 SER A 111 6.771 18.345 -10.767 1.00 1.00 H new ATOM 0 HG SER A 111 6.599 16.333 -9.603 1.00 1.00 H new ATOM 1672 N LYS A 112 3.113 17.338 -10.608 1.00 1.00 N ATOM 1673 CA LYS A 112 1.817 16.854 -11.072 1.00 1.00 C ATOM 1674 C LYS A 112 0.706 17.326 -10.139 1.00 1.00 C ATOM 1675 O LYS A 112 0.809 18.390 -9.529 1.00 1.00 O ATOM 1676 CB LYS A 112 1.821 15.325 -11.133 1.00 1.00 C ATOM 1677 CG LYS A 112 0.848 14.852 -12.216 1.00 1.00 C ATOM 1678 CD LYS A 112 1.580 14.756 -13.555 1.00 1.00 C ATOM 1679 CE LYS A 112 0.568 14.486 -14.672 1.00 1.00 C ATOM 1680 NZ LYS A 112 -0.265 13.305 -14.314 1.00 1.00 N ATOM 0 H LYS A 112 3.733 16.614 -10.246 1.00 1.00 H new ATOM 0 HA LYS A 112 1.635 17.255 -12.069 1.00 1.00 H new ATOM 0 HB2 LYS A 112 2.826 14.962 -11.349 1.00 1.00 H new ATOM 0 HB3 LYS A 112 1.534 14.912 -10.166 1.00 1.00 H new ATOM 0 HG2 LYS A 112 0.432 13.881 -11.947 1.00 1.00 H new ATOM 0 HG3 LYS A 112 0.011 15.546 -12.296 1.00 1.00 H new ATOM 0 HD2 LYS A 112 2.119 15.682 -13.754 1.00 1.00 H new ATOM 0 HD3 LYS A 112 2.321 13.957 -13.520 1.00 1.00 H new ATOM 0 HE2 LYS A 112 -0.066 15.360 -14.821 1.00 1.00 H new ATOM 0 HE3 LYS A 112 1.088 14.305 -15.613 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 -0.715 12.925 -15.171 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 0.337 12.573 -13.885 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 -0.999 13.591 -13.635 1.00 1.00 H new ATOM 1694 N ILE A 113 -0.350 16.524 -10.033 1.00 1.00 N ATOM 1695 CA ILE A 113 -1.486 16.853 -9.172 1.00 1.00 C ATOM 1696 C ILE A 113 -2.252 18.060 -9.713 1.00 1.00 C ATOM 1697 O ILE A 113 -3.481 18.102 -9.648 1.00 1.00 O ATOM 1698 CB ILE A 113 -1.012 17.143 -7.744 1.00 1.00 C ATOM 1699 CG1 ILE A 113 0.064 16.125 -7.345 1.00 1.00 C ATOM 1700 CG2 ILE A 113 -2.199 17.031 -6.785 1.00 1.00 C ATOM 1701 CD1 ILE A 113 0.115 15.999 -5.821 1.00 1.00 C ATOM 0 H ILE A 113 -0.444 15.640 -10.533 1.00 1.00 H new ATOM 0 HA ILE A 113 -2.154 15.992 -9.160 1.00 1.00 H new ATOM 0 HB ILE A 113 -0.595 18.149 -7.695 1.00 1.00 H new ATOM 0 HG12 ILE A 113 -0.155 15.156 -7.793 1.00 1.00 H new ATOM 0 HG13 ILE A 113 1.035 16.440 -7.726 1.00 1.00 H new ATOM 0 HG21 ILE A 113 -1.866 17.237 -5.768 1.00 1.00 H new ATOM 0 HG22 ILE A 113 -2.965 17.752 -7.069 1.00 1.00 H new ATOM 0 HG23 ILE A 113 -2.613 16.024 -6.834 1.00 1.00 H new ATOM 0 HD11 ILE A 113 0.880 15.275 -5.541 1.00 1.00 H new ATOM 0 HD12 ILE A 113 0.355 16.968 -5.384 1.00 1.00 H new ATOM 0 HD13 ILE A 113 -0.854 15.664 -5.451 1.00 1.00 H new ATOM 1713 N ILE A 114 -1.525 19.036 -10.246 1.00 1.00 N ATOM 1714 CA ILE A 114 -2.156 20.233 -10.792 1.00 1.00 C ATOM 1715 C ILE A 114 -2.919 19.900 -12.070 1.00 1.00 C ATOM 1716 O ILE A 114 -3.963 20.488 -12.353 1.00 1.00 O ATOM 1717 CB ILE A 114 -1.095 21.292 -11.090 1.00 1.00 C ATOM 1718 CG1 ILE A 114 -0.341 21.634 -9.802 1.00 1.00 C ATOM 1719 CG2 ILE A 114 -1.770 22.553 -11.634 1.00 1.00 C ATOM 1720 CD1 ILE A 114 0.872 22.504 -10.136 1.00 1.00 C ATOM 0 H ILE A 114 -0.507 19.023 -10.312 1.00 1.00 H new ATOM 0 HA ILE A 114 -2.858 20.621 -10.054 1.00 1.00 H new ATOM 0 HB ILE A 114 -0.395 20.906 -11.831 1.00 1.00 H new ATOM 0 HG12 ILE A 114 -1.000 22.160 -9.111 1.00 1.00 H new ATOM 0 HG13 ILE A 114 -0.020 20.720 -9.303 1.00 1.00 H new ATOM 0 HG21 ILE A 114 -1.013 23.308 -11.846 1.00 1.00 H new ATOM 0 HG22 ILE A 114 -2.308 22.311 -12.550 1.00 1.00 H new ATOM 0 HG23 ILE A 114 -2.470 22.939 -10.893 1.00 1.00 H new ATOM 0 HD11 ILE A 114 1.409 22.747 -9.219 1.00 1.00 H new ATOM 0 HD12 ILE A 114 1.534 21.962 -10.811 1.00 1.00 H new ATOM 0 HD13 ILE A 114 0.539 23.424 -10.616 1.00 1.00 H new ATOM 1732 N PHE A 115 -2.390 18.952 -12.839 1.00 1.00 N ATOM 1733 CA PHE A 115 -3.031 18.548 -14.086 1.00 1.00 C ATOM 1734 C PHE A 115 -3.526 19.770 -14.854 1.00 1.00 C ATOM 1735 O PHE A 115 -4.699 19.855 -15.216 1.00 1.00 O ATOM 1736 CB PHE A 115 -4.208 17.618 -13.793 1.00 1.00 C ATOM 1737 CG PHE A 115 -4.886 17.239 -15.088 1.00 1.00 C ATOM 1738 CD1 PHE A 115 -4.202 16.465 -16.033 1.00 1.00 C ATOM 1739 CD2 PHE A 115 -6.196 17.663 -15.346 1.00 1.00 C ATOM 1740 CE1 PHE A 115 -4.828 16.114 -17.236 1.00 1.00 C ATOM 1741 CE2 PHE A 115 -6.821 17.312 -16.549 1.00 1.00 C ATOM 1742 CZ PHE A 115 -6.136 16.537 -17.493 1.00 1.00 C ATOM 0 H PHE A 115 -1.527 18.453 -12.623 1.00 1.00 H new ATOM 0 HA PHE A 115 -2.296 18.022 -14.695 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -3.859 16.723 -13.278 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -4.918 18.111 -13.129 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -3.192 16.139 -15.835 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -6.724 18.260 -14.617 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -4.301 15.517 -17.965 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -7.831 17.639 -16.749 1.00 1.00 H new ATOM 0 HZ PHE A 115 -6.618 16.266 -18.420 1.00 1.00 H new ATOM 1752 N GLU A 116 -2.621 20.713 -15.099 1.00 1.00 N ATOM 1753 CA GLU A 116 -2.978 21.927 -15.826 1.00 1.00 C ATOM 1754 C GLU A 116 -3.881 22.814 -14.978 1.00 1.00 C ATOM 1755 O GLU A 116 -4.353 23.814 -15.495 1.00 1.00 O ATOM 1756 CB GLU A 116 -3.692 21.563 -17.129 1.00 1.00 C ATOM 1757 CG GLU A 116 -3.375 22.614 -18.197 1.00 1.00 C ATOM 1758 CD GLU A 116 -4.299 22.433 -19.397 1.00 1.00 C ATOM 1759 OE1 GLU A 116 -4.146 21.442 -20.091 1.00 1.00 O ATOM 1760 OE2 GLU A 116 -5.144 23.286 -19.602 1.00 1.00 O ATOM 0 H GLU A 116 -1.645 20.662 -14.808 1.00 1.00 H new ATOM 0 HA GLU A 116 -2.063 22.474 -16.054 1.00 1.00 H new ATOM 0 HB2 GLU A 116 -3.373 20.577 -17.468 1.00 1.00 H new ATOM 0 HB3 GLU A 116 -4.768 21.510 -16.964 1.00 1.00 H new ATOM 0 HG2 GLU A 116 -3.496 23.614 -17.782 1.00 1.00 H new ATOM 0 HG3 GLU A 116 -2.335 22.523 -18.511 1.00 1.00 H new TER 1767 GLU A 116 HETATM 1768 O1 MTN A 128 2.978 2.444 -10.575 1.00 1.00 O HETATM 1769 N1 MTN A 128 4.077 2.482 -11.204 1.00 1.00 N HETATM 1770 C1 MTN A 128 4.778 1.271 -11.678 1.00 1.00 C HETATM 1771 C2 MTN A 128 5.958 1.895 -12.323 1.00 1.00 C HETATM 1772 C3 MTN A 128 5.966 3.214 -12.254 1.00 1.00 C HETATM 1773 C4 MTN A 128 7.030 4.097 -12.820 1.00 1.00 C HETATM 1774 S1 MTN A 128 8.137 3.277 -13.994 1.00 1.00 S HETATM 1775 C5 MTN A 128 4.763 3.766 -11.526 1.00 1.00 C HETATM 1776 C6 MTN A 128 5.127 4.620 -10.320 1.00 1.00 C HETATM 1777 C7 MTN A 128 3.888 4.549 -12.498 1.00 1.00 C HETATM 1778 C8 MTN A 128 3.930 0.545 -12.708 1.00 1.00 C HETATM 1779 C9 MTN A 128 5.187 0.335 -10.543 1.00 1.00 C HETATM 0 H93 MTN A 128 5.857 0.860 -9.862 1.00 1.00 H new HETATM 0 H92 MTN A 128 4.299 0.012 -10.000 1.00 1.00 H new HETATM 0 H91 MTN A 128 5.697 -0.536 -10.955 1.00 1.00 H new HETATM 0 H83 MTN A 128 2.980 0.255 -12.258 1.00 1.00 H new HETATM 0 H82 MTN A 128 3.743 1.204 -13.556 1.00 1.00 H new HETATM 0 H81 MTN A 128 4.457 -0.346 -13.050 1.00 1.00 H new HETATM 0 H73 MTN A 128 3.743 3.966 -13.407 1.00 1.00 H new HETATM 0 H72 MTN A 128 2.921 4.749 -12.037 1.00 1.00 H new HETATM 0 H71 MTN A 128 4.374 5.493 -12.746 1.00 1.00 H new HETATM 0 H63 MTN A 128 4.222 4.879 -9.771 1.00 1.00 H new HETATM 0 H62 MTN A 128 5.799 4.062 -9.668 1.00 1.00 H new HETATM 0 H61 MTN A 128 5.621 5.532 -10.656 1.00 1.00 H new HETATM 0 H42 MTN A 128 6.556 4.944 -13.317 1.00 1.00 H new HETATM 0 H41 MTN A 128 7.624 4.500 -12.000 1.00 1.00 H new HETATM 0 H2 MTN A 128 6.746 1.319 -12.809 1.00 1.00 H new HETATM 1795 O1 MTN A 129 1.427 0.124 -7.056 1.00 1.00 O HETATM 1796 N1 MTN A 129 1.072 0.976 -7.922 1.00 1.00 N HETATM 1797 C1 MTN A 129 1.379 2.417 -7.809 1.00 1.00 C HETATM 1798 C2 MTN A 129 0.748 2.910 -9.058 1.00 1.00 C HETATM 1799 C3 MTN A 129 0.175 1.961 -9.776 1.00 1.00 C HETATM 1800 C4 MTN A 129 -0.538 2.180 -11.070 1.00 1.00 C HETATM 1801 S1 MTN A 129 -0.020 1.080 -12.409 1.00 1.00 S HETATM 1802 C5 MTN A 129 0.306 0.595 -9.144 1.00 1.00 C HETATM 1803 C6 MTN A 129 -1.034 -0.079 -8.880 1.00 1.00 C HETATM 1804 C7 MTN A 129 1.191 -0.292 -10.012 1.00 1.00 C HETATM 1805 C8 MTN A 129 2.882 2.634 -7.840 1.00 1.00 C HETATM 1806 C9 MTN A 129 0.755 3.061 -6.573 1.00 1.00 C HETATM 0 H93 MTN A 129 -0.329 2.955 -6.615 1.00 1.00 H new HETATM 0 H92 MTN A 129 1.133 2.570 -5.677 1.00 1.00 H new HETATM 0 H91 MTN A 129 1.015 4.119 -6.544 1.00 1.00 H new HETATM 0 H83 MTN A 129 3.343 2.104 -7.007 1.00 1.00 H new HETATM 0 H82 MTN A 129 3.285 2.255 -8.779 1.00 1.00 H new HETATM 0 H81 MTN A 129 3.098 3.699 -7.756 1.00 1.00 H new HETATM 0 H73 MTN A 129 2.091 0.255 -10.293 1.00 1.00 H new HETATM 0 H72 MTN A 129 1.469 -1.186 -9.454 1.00 1.00 H new HETATM 0 H71 MTN A 129 0.647 -0.581 -10.911 1.00 1.00 H new HETATM 0 H63 MTN A 129 -0.874 -0.996 -8.313 1.00 1.00 H new HETATM 0 H62 MTN A 129 -1.673 0.594 -8.308 1.00 1.00 H new HETATM 0 H61 MTN A 129 -1.515 -0.317 -9.829 1.00 1.00 H new HETATM 0 H42 MTN A 129 -1.608 2.053 -10.906 1.00 1.00 H new HETATM 0 H41 MTN A 129 -0.384 3.212 -11.385 1.00 1.00 H new HETATM 0 H2 MTN A 129 0.757 3.959 -9.356 1.00 1.00 H new