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 83 ASN : amide:sc= -11.9! C(o=-12!,f=-3!) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.579 K(o=-12,f=-3) USER MOD Set 2.1: A 70 GLN : amide:sc= -2.89! C(o=-2.6!,f=-6!) USER MOD Set 2.2: A 74 THR OG1 : rot 74:sc= 0.326 USER MOD Set 3.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 32 ASN : amide:sc= 0 X(o=0,f=0.026) USER MOD Set 4.1: A 19 ASN : amide:sc= -2.26 K(o=-2.9,f=-1.3) USER MOD Set 4.2: A 24 ASN : amide:sc= -0.68 K(o=-2.9,f=-1.3) USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00449) USER MOD Single : A 1 MET N :NH3+ -144:sc= -0.113 (180deg=-0.883) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.0058 K(o=-0.0058,f=-1.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.447 K(o=-0.45,f=-2.9) USER MOD Single : A 20 SER OG : rot 180:sc= -1.22 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 28 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.0049) USER MOD Single : A 33 ASN : amide:sc= 0.615 K(o=0.61,f=-6.4!) USER MOD Single : A 38 ASN : amide:sc= -2.75! C(o=-2.8!,f=-0.21!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0311! USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0.031) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 137:sc= -0.504 (180deg=-2.11!) USER MOD Single : A 82 THR OG1 : rot -106:sc= -1.77 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0574 USER MOD Single : A 87 HIS : no HD1:sc= -2.66! C(o=-2.7!,f=-6!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0109 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= -0.16 X(o=-0.16,f=-0.027) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 106 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.2) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.57) USER MOD Single : A 109 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.5!) USER MOD Single : A 110 ASN : amide:sc= -0.0075 X(o=-0.0075,f=0.16) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -151:sc= -0.0311 (180deg=-0.899) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.953 12.592 -19.030 1.00 1.00 N ATOM 2 CA MET A 1 15.508 11.599 -18.011 1.00 1.00 C ATOM 3 C MET A 1 14.016 11.777 -17.749 1.00 1.00 C ATOM 4 O MET A 1 13.618 12.483 -16.823 1.00 1.00 O ATOM 5 CB MET A 1 16.294 11.815 -16.717 1.00 1.00 C ATOM 6 CG MET A 1 17.794 11.740 -17.011 1.00 1.00 C ATOM 7 SD MET A 1 18.566 10.535 -15.904 1.00 1.00 S ATOM 8 CE MET A 1 17.995 9.045 -16.756 1.00 1.00 C ATOM 0 H1 MET A 1 16.677 12.162 -19.640 1.00 1.00 H new ATOM 0 H2 MET A 1 15.140 12.883 -19.609 1.00 1.00 H new ATOM 0 H3 MET A 1 16.353 13.425 -18.552 1.00 1.00 H new ATOM 0 HA MET A 1 15.689 10.588 -18.377 1.00 1.00 H new ATOM 0 HB2 MET A 1 16.045 12.785 -16.286 1.00 1.00 H new ATOM 0 HB3 MET A 1 16.019 11.059 -15.982 1.00 1.00 H new ATOM 0 HG2 MET A 1 17.958 11.453 -18.050 1.00 1.00 H new ATOM 0 HG3 MET A 1 18.252 12.720 -16.875 1.00 1.00 H new ATOM 0 HE1 MET A 1 18.392 8.163 -16.253 1.00 1.00 H new ATOM 0 HE2 MET A 1 16.906 9.012 -16.740 1.00 1.00 H new ATOM 0 HE3 MET A 1 18.342 9.061 -17.789 1.00 1.00 H new ATOM 20 N ASP A 2 13.195 11.132 -18.573 1.00 1.00 N ATOM 21 CA ASP A 2 11.748 11.226 -18.421 1.00 1.00 C ATOM 22 C ASP A 2 11.083 9.898 -18.771 1.00 1.00 C ATOM 23 O ASP A 2 10.267 9.825 -19.690 1.00 1.00 O ATOM 24 CB ASP A 2 11.200 12.328 -19.328 1.00 1.00 C ATOM 25 CG ASP A 2 11.608 13.696 -18.793 1.00 1.00 C ATOM 26 OD1 ASP A 2 12.730 14.099 -19.048 1.00 1.00 O ATOM 27 OD2 ASP A 2 10.792 14.321 -18.135 1.00 1.00 O ATOM 0 H ASP A 2 13.504 10.543 -19.346 1.00 1.00 H new ATOM 0 HA ASP A 2 11.526 11.466 -17.381 1.00 1.00 H new ATOM 0 HB2 ASP A 2 11.578 12.197 -20.342 1.00 1.00 H new ATOM 0 HB3 ASP A 2 10.114 12.259 -19.382 1.00 1.00 H new ATOM 32 N PRO A 3 11.417 8.855 -18.057 1.00 1.00 N ATOM 33 CA PRO A 3 10.842 7.500 -18.295 1.00 1.00 C ATOM 34 C PRO A 3 9.400 7.394 -17.807 1.00 1.00 C ATOM 35 O PRO A 3 8.671 6.481 -18.193 1.00 1.00 O ATOM 36 CB PRO A 3 11.760 6.575 -17.494 1.00 1.00 C ATOM 37 CG PRO A 3 12.333 7.425 -16.409 1.00 1.00 C ATOM 38 CD PRO A 3 12.381 8.856 -16.946 1.00 1.00 C ATOM 0 HA PRO A 3 10.799 7.252 -19.356 1.00 1.00 H new ATOM 0 HB2 PRO A 3 11.205 5.733 -17.081 1.00 1.00 H new ATOM 0 HB3 PRO A 3 12.546 6.160 -18.125 1.00 1.00 H new ATOM 0 HG2 PRO A 3 11.719 7.370 -15.510 1.00 1.00 H new ATOM 0 HG3 PRO A 3 13.331 7.081 -16.135 1.00 1.00 H new ATOM 0 HD2 PRO A 3 12.104 9.579 -16.179 1.00 1.00 H new ATOM 0 HD3 PRO A 3 13.382 9.120 -17.287 1.00 1.00 H new ATOM 46 N GLU A 4 8.998 8.332 -16.956 1.00 1.00 N ATOM 47 CA GLU A 4 7.641 8.334 -16.423 1.00 1.00 C ATOM 48 C GLU A 4 6.620 8.209 -17.550 1.00 1.00 C ATOM 49 O GLU A 4 5.542 7.645 -17.364 1.00 1.00 O ATOM 50 CB GLU A 4 7.387 9.626 -15.644 1.00 1.00 C ATOM 51 CG GLU A 4 8.533 9.861 -14.658 1.00 1.00 C ATOM 52 CD GLU A 4 8.125 10.904 -13.623 1.00 1.00 C ATOM 53 OE1 GLU A 4 7.230 11.680 -13.913 1.00 1.00 O ATOM 54 OE2 GLU A 4 8.716 10.912 -12.555 1.00 1.00 O ATOM 0 H GLU A 4 9.587 9.095 -16.623 1.00 1.00 H new ATOM 0 HA GLU A 4 7.534 7.479 -15.755 1.00 1.00 H new ATOM 0 HB2 GLU A 4 7.306 10.468 -16.332 1.00 1.00 H new ATOM 0 HB3 GLU A 4 6.440 9.560 -15.108 1.00 1.00 H new ATOM 0 HG2 GLU A 4 8.794 8.926 -14.161 1.00 1.00 H new ATOM 0 HG3 GLU A 4 9.421 10.196 -15.193 1.00 1.00 H new ATOM 61 N LEU A 5 6.969 8.737 -18.719 1.00 1.00 N ATOM 62 CA LEU A 5 6.075 8.677 -19.870 1.00 1.00 C ATOM 63 C LEU A 5 5.670 7.235 -20.157 1.00 1.00 C ATOM 64 O LEU A 5 4.492 6.939 -20.353 1.00 1.00 O ATOM 65 CB LEU A 5 6.765 9.271 -21.099 1.00 1.00 C ATOM 66 CG LEU A 5 5.859 10.328 -21.732 1.00 1.00 C ATOM 67 CD1 LEU A 5 6.546 10.918 -22.964 1.00 1.00 C ATOM 68 CD2 LEU A 5 4.536 9.683 -22.148 1.00 1.00 C ATOM 0 H LEU A 5 7.857 9.208 -18.894 1.00 1.00 H new ATOM 0 HA LEU A 5 5.180 9.256 -19.643 1.00 1.00 H new ATOM 0 HB2 LEU A 5 7.718 9.717 -20.814 1.00 1.00 H new ATOM 0 HB3 LEU A 5 6.984 8.485 -21.822 1.00 1.00 H new ATOM 0 HG LEU A 5 5.666 11.120 -21.009 1.00 1.00 H new ATOM 0 HD11 LEU A 5 5.900 11.671 -23.415 1.00 1.00 H new ATOM 0 HD12 LEU A 5 7.489 11.378 -22.669 1.00 1.00 H new ATOM 0 HD13 LEU A 5 6.739 10.126 -23.687 1.00 1.00 H new ATOM 0 HD21 LEU A 5 3.890 10.436 -22.599 1.00 1.00 H new ATOM 0 HD22 LEU A 5 4.729 8.890 -22.871 1.00 1.00 H new ATOM 0 HD23 LEU A 5 4.045 9.262 -21.271 1.00 1.00 H new ATOM 80 N GLN A 6 6.654 6.342 -20.182 1.00 1.00 N ATOM 81 CA GLN A 6 6.387 4.933 -20.445 1.00 1.00 C ATOM 82 C GLN A 6 5.542 4.332 -19.326 1.00 1.00 C ATOM 83 O GLN A 6 4.505 3.719 -19.578 1.00 1.00 O ATOM 84 CB GLN A 6 7.705 4.164 -20.562 1.00 1.00 C ATOM 85 CG GLN A 6 8.517 4.720 -21.734 1.00 1.00 C ATOM 86 CD GLN A 6 8.427 3.775 -22.926 1.00 1.00 C ATOM 87 OE1 GLN A 6 8.959 2.665 -22.881 1.00 1.00 O ATOM 88 NE2 GLN A 6 7.783 4.149 -23.998 1.00 1.00 N ATOM 0 H GLN A 6 7.636 6.567 -20.025 1.00 1.00 H new ATOM 0 HA GLN A 6 5.838 4.855 -21.383 1.00 1.00 H new ATOM 0 HB2 GLN A 6 8.274 4.253 -19.637 1.00 1.00 H new ATOM 0 HB3 GLN A 6 7.507 3.103 -20.714 1.00 1.00 H new ATOM 0 HG2 GLN A 6 8.142 5.705 -22.012 1.00 1.00 H new ATOM 0 HG3 GLN A 6 9.558 4.847 -21.438 1.00 1.00 H new ATOM 0 HE21 GLN A 6 7.343 5.068 -24.034 1.00 1.00 H new ATOM 0 HE22 GLN A 6 7.720 3.522 -24.800 1.00 1.00 H new ATOM 97 N CYS A 7 5.994 4.513 -18.089 1.00 1.00 N ATOM 98 CA CYS A 7 5.270 3.986 -16.937 1.00 1.00 C ATOM 99 C CYS A 7 3.854 4.553 -16.891 1.00 1.00 C ATOM 100 O CYS A 7 2.918 3.880 -16.459 1.00 1.00 O ATOM 101 CB CYS A 7 6.007 4.346 -15.647 1.00 1.00 C ATOM 102 SG CYS A 7 5.056 5.590 -14.738 1.00 1.00 S ATOM 0 H CYS A 7 6.851 5.016 -17.859 1.00 1.00 H new ATOM 0 HA CYS A 7 5.214 2.902 -17.032 1.00 1.00 H new ATOM 0 HB2 CYS A 7 6.143 3.456 -15.033 1.00 1.00 H new ATOM 0 HB3 CYS A 7 7.001 4.729 -15.878 1.00 1.00 H new ATOM 107 N ILE A 8 3.707 5.793 -17.344 1.00 1.00 N ATOM 108 CA ILE A 8 2.401 6.442 -17.356 1.00 1.00 C ATOM 109 C ILE A 8 1.502 5.814 -18.416 1.00 1.00 C ATOM 110 O ILE A 8 0.308 5.615 -18.192 1.00 1.00 O ATOM 111 CB ILE A 8 2.563 7.937 -17.640 1.00 1.00 C ATOM 112 CG1 ILE A 8 2.974 8.657 -16.353 1.00 1.00 C ATOM 113 CG2 ILE A 8 1.237 8.509 -18.141 1.00 1.00 C ATOM 114 CD1 ILE A 8 3.456 10.069 -16.689 1.00 1.00 C ATOM 0 H ILE A 8 4.470 6.366 -17.705 1.00 1.00 H new ATOM 0 HA ILE A 8 1.939 6.307 -16.378 1.00 1.00 H new ATOM 0 HB ILE A 8 3.330 8.081 -18.400 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.130 8.704 -15.665 1.00 1.00 H new ATOM 0 HG13 ILE A 8 3.765 8.101 -15.850 1.00 1.00 H new ATOM 0 HG21 ILE A 8 1.353 9.574 -18.343 1.00 1.00 H new ATOM 0 HG22 ILE A 8 0.942 7.996 -19.056 1.00 1.00 H new ATOM 0 HG23 ILE A 8 0.469 8.366 -17.381 1.00 1.00 H new ATOM 0 HD11 ILE A 8 3.749 10.581 -15.772 1.00 1.00 H new ATOM 0 HD12 ILE A 8 4.312 10.011 -17.361 1.00 1.00 H new ATOM 0 HD13 ILE A 8 2.651 10.623 -17.173 1.00 1.00 H new ATOM 126 N ARG A 9 2.085 5.509 -19.571 1.00 1.00 N ATOM 127 CA ARG A 9 1.330 4.906 -20.663 1.00 1.00 C ATOM 128 C ARG A 9 0.850 3.511 -20.283 1.00 1.00 C ATOM 129 O ARG A 9 -0.231 3.084 -20.687 1.00 1.00 O ATOM 130 CB ARG A 9 2.205 4.822 -21.916 1.00 1.00 C ATOM 131 CG ARG A 9 1.332 4.493 -23.129 1.00 1.00 C ATOM 132 CD ARG A 9 2.204 4.441 -24.385 1.00 1.00 C ATOM 133 NE ARG A 9 1.915 5.582 -25.247 1.00 1.00 N ATOM 134 CZ ARG A 9 0.861 5.582 -26.056 1.00 1.00 C ATOM 135 NH1 ARG A 9 0.064 4.549 -26.092 1.00 1.00 N ATOM 136 NH2 ARG A 9 0.623 6.616 -26.817 1.00 1.00 N ATOM 0 H ARG A 9 3.072 5.668 -19.774 1.00 1.00 H new ATOM 0 HA ARG A 9 0.460 5.531 -20.865 1.00 1.00 H new ATOM 0 HB2 ARG A 9 2.724 5.768 -22.074 1.00 1.00 H new ATOM 0 HB3 ARG A 9 2.970 4.056 -21.787 1.00 1.00 H new ATOM 0 HG2 ARG A 9 0.831 3.536 -22.981 1.00 1.00 H new ATOM 0 HG3 ARG A 9 0.553 5.246 -23.245 1.00 1.00 H new ATOM 0 HD2 ARG A 9 3.258 4.445 -24.105 1.00 1.00 H new ATOM 0 HD3 ARG A 9 2.021 3.512 -24.925 1.00 1.00 H new ATOM 0 HE ARG A 9 2.533 6.394 -25.228 1.00 1.00 H new ATOM 0 HH11 ARG A 9 0.250 3.740 -25.499 1.00 1.00 H new ATOM 0 HH12 ARG A 9 -0.745 4.550 -26.713 1.00 1.00 H new ATOM 0 HH21 ARG A 9 1.246 7.423 -26.790 1.00 1.00 H new ATOM 0 HH22 ARG A 9 -0.186 6.617 -27.438 1.00 1.00 H new ATOM 150 N GLU A 10 1.662 2.803 -19.504 1.00 1.00 N ATOM 151 CA GLU A 10 1.307 1.453 -19.078 1.00 1.00 C ATOM 152 C GLU A 10 0.131 1.489 -18.106 1.00 1.00 C ATOM 153 O GLU A 10 -0.715 0.595 -18.111 1.00 1.00 O ATOM 154 CB GLU A 10 2.509 0.784 -18.407 1.00 1.00 C ATOM 155 CG GLU A 10 3.473 0.272 -19.479 1.00 1.00 C ATOM 156 CD GLU A 10 4.663 -0.422 -18.824 1.00 1.00 C ATOM 157 OE1 GLU A 10 4.475 -1.501 -18.289 1.00 1.00 O ATOM 158 OE2 GLU A 10 5.749 0.133 -18.875 1.00 1.00 O ATOM 0 H GLU A 10 2.561 3.137 -19.158 1.00 1.00 H new ATOM 0 HA GLU A 10 1.017 0.879 -19.958 1.00 1.00 H new ATOM 0 HB2 GLU A 10 3.017 1.495 -17.755 1.00 1.00 H new ATOM 0 HB3 GLU A 10 2.175 -0.042 -17.779 1.00 1.00 H new ATOM 0 HG2 GLU A 10 2.957 -0.422 -20.142 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.820 1.102 -20.094 1.00 1.00 H new ATOM 165 N CYS A 11 0.085 2.525 -17.278 1.00 1.00 N ATOM 166 CA CYS A 11 -0.995 2.664 -16.305 1.00 1.00 C ATOM 167 C CYS A 11 -2.223 3.295 -16.952 1.00 1.00 C ATOM 168 O CYS A 11 -3.357 2.978 -16.592 1.00 1.00 O ATOM 169 CB CYS A 11 -0.532 3.533 -15.133 1.00 1.00 C ATOM 170 SG CYS A 11 -1.347 2.980 -13.615 1.00 1.00 S ATOM 0 H CYS A 11 0.775 3.276 -17.259 1.00 1.00 H new ATOM 0 HA CYS A 11 -1.260 1.671 -15.941 1.00 1.00 H new ATOM 0 HB2 CYS A 11 0.550 3.467 -15.022 1.00 1.00 H new ATOM 0 HB3 CYS A 11 -0.769 4.579 -15.326 1.00 1.00 H new ATOM 175 N ARG A 12 -1.990 4.190 -17.906 1.00 1.00 N ATOM 176 CA ARG A 12 -3.088 4.859 -18.595 1.00 1.00 C ATOM 177 C ARG A 12 -4.029 3.839 -19.226 1.00 1.00 C ATOM 178 O ARG A 12 -5.240 4.049 -19.279 1.00 1.00 O ATOM 179 CB ARG A 12 -2.535 5.786 -19.680 1.00 1.00 C ATOM 180 CG ARG A 12 -3.636 6.741 -20.145 1.00 1.00 C ATOM 181 CD ARG A 12 -3.369 7.162 -21.591 1.00 1.00 C ATOM 182 NE ARG A 12 -2.026 7.717 -21.715 1.00 1.00 N ATOM 183 CZ ARG A 12 -1.540 8.082 -22.898 1.00 1.00 C ATOM 184 NH1 ARG A 12 -2.268 7.948 -23.971 1.00 1.00 N ATOM 185 NH2 ARG A 12 -0.333 8.573 -22.984 1.00 1.00 N ATOM 0 H ARG A 12 -1.059 4.467 -18.218 1.00 1.00 H new ATOM 0 HA ARG A 12 -3.646 5.445 -17.865 1.00 1.00 H new ATOM 0 HB2 ARG A 12 -1.688 6.352 -19.293 1.00 1.00 H new ATOM 0 HB3 ARG A 12 -2.168 5.199 -20.522 1.00 1.00 H new ATOM 0 HG2 ARG A 12 -4.609 6.255 -20.070 1.00 1.00 H new ATOM 0 HG3 ARG A 12 -3.667 7.619 -19.499 1.00 1.00 H new ATOM 0 HD2 ARG A 12 -3.478 6.303 -22.253 1.00 1.00 H new ATOM 0 HD3 ARG A 12 -4.106 7.901 -21.904 1.00 1.00 H new ATOM 0 HE ARG A 12 -1.450 7.827 -20.881 1.00 1.00 H new ATOM 0 HH11 ARG A 12 -3.210 7.563 -23.903 1.00 1.00 H new ATOM 0 HH12 ARG A 12 -1.895 8.228 -24.878 1.00 1.00 H new ATOM 0 HH21 ARG A 12 0.237 8.676 -22.144 1.00 1.00 H new ATOM 0 HH22 ARG A 12 0.040 8.853 -23.891 1.00 1.00 H new ATOM 199 N LEU A 13 -3.463 2.735 -19.704 1.00 1.00 N ATOM 200 CA LEU A 13 -4.266 1.690 -20.330 1.00 1.00 C ATOM 201 C LEU A 13 -5.139 0.988 -19.296 1.00 1.00 C ATOM 202 O LEU A 13 -6.349 0.858 -19.476 1.00 1.00 O ATOM 203 CB LEU A 13 -3.351 0.667 -21.007 1.00 1.00 C ATOM 204 CG LEU A 13 -4.040 0.106 -22.251 1.00 1.00 C ATOM 205 CD1 LEU A 13 -3.148 -0.960 -22.890 1.00 1.00 C ATOM 206 CD2 LEU A 13 -5.378 -0.525 -21.855 1.00 1.00 C ATOM 0 H LEU A 13 -2.462 2.542 -19.671 1.00 1.00 H new ATOM 0 HA LEU A 13 -4.912 2.153 -21.076 1.00 1.00 H new ATOM 0 HB2 LEU A 13 -2.406 1.135 -21.282 1.00 1.00 H new ATOM 0 HB3 LEU A 13 -3.116 -0.141 -20.314 1.00 1.00 H new ATOM 0 HG LEU A 13 -4.214 0.913 -22.963 1.00 1.00 H new ATOM 0 HD11 LEU A 13 -3.638 -1.361 -23.777 1.00 1.00 H new ATOM 0 HD12 LEU A 13 -2.194 -0.515 -23.173 1.00 1.00 H new ATOM 0 HD13 LEU A 13 -2.975 -1.765 -22.176 1.00 1.00 H new ATOM 0 HD21 LEU A 13 -5.869 -0.925 -22.742 1.00 1.00 H new ATOM 0 HD22 LEU A 13 -5.203 -1.331 -21.143 1.00 1.00 H new ATOM 0 HD23 LEU A 13 -6.016 0.231 -21.398 1.00 1.00 H new ATOM 218 N ALA A 14 -4.516 0.532 -18.213 1.00 1.00 N ATOM 219 CA ALA A 14 -5.249 -0.159 -17.160 1.00 1.00 C ATOM 220 C ALA A 14 -6.237 0.785 -16.483 1.00 1.00 C ATOM 221 O ALA A 14 -7.318 0.371 -16.063 1.00 1.00 O ATOM 222 CB ALA A 14 -4.272 -0.710 -16.120 1.00 1.00 C ATOM 0 H ALA A 14 -3.515 0.628 -18.043 1.00 1.00 H new ATOM 0 HA ALA A 14 -5.804 -0.982 -17.611 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -4.827 -1.225 -15.336 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -3.587 -1.410 -16.599 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -3.705 0.112 -15.683 1.00 1.00 H new ATOM 228 N GLN A 15 -5.860 2.056 -16.379 1.00 1.00 N ATOM 229 CA GLN A 15 -6.723 3.048 -15.748 1.00 1.00 C ATOM 230 C GLN A 15 -7.957 3.310 -16.606 1.00 1.00 C ATOM 231 O GLN A 15 -8.985 3.768 -16.107 1.00 1.00 O ATOM 232 CB GLN A 15 -5.953 4.355 -15.546 1.00 1.00 C ATOM 233 CG GLN A 15 -6.614 5.171 -14.434 1.00 1.00 C ATOM 234 CD GLN A 15 -5.996 4.811 -13.087 1.00 1.00 C ATOM 235 OE1 GLN A 15 -5.763 3.636 -12.803 1.00 1.00 O ATOM 236 NE2 GLN A 15 -5.713 5.758 -12.235 1.00 1.00 N ATOM 0 H GLN A 15 -4.971 2.421 -16.720 1.00 1.00 H new ATOM 0 HA GLN A 15 -7.044 2.661 -14.781 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -4.916 4.142 -15.288 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -5.939 4.928 -16.473 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -6.488 6.236 -14.629 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -7.686 4.975 -14.416 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -5.906 6.731 -12.471 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -5.298 5.525 -11.333 1.00 1.00 H new ATOM 245 N LEU A 16 -7.848 3.017 -17.897 1.00 1.00 N ATOM 246 CA LEU A 16 -8.964 3.226 -18.815 1.00 1.00 C ATOM 247 C LEU A 16 -10.013 2.133 -18.640 1.00 1.00 C ATOM 248 O LEU A 16 -9.685 0.988 -18.329 1.00 1.00 O ATOM 249 CB LEU A 16 -8.460 3.226 -20.260 1.00 1.00 C ATOM 250 CG LEU A 16 -8.338 4.665 -20.765 1.00 1.00 C ATOM 251 CD1 LEU A 16 -7.452 4.693 -22.012 1.00 1.00 C ATOM 252 CD2 LEU A 16 -9.727 5.206 -21.118 1.00 1.00 C ATOM 0 H LEU A 16 -7.006 2.637 -18.330 1.00 1.00 H new ATOM 0 HA LEU A 16 -9.419 4.190 -18.590 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -7.493 2.727 -20.318 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -9.146 2.665 -20.894 1.00 1.00 H new ATOM 0 HG LEU A 16 -7.894 5.285 -19.986 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -7.364 5.718 -22.373 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -6.462 4.310 -21.764 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -7.897 4.072 -22.789 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -9.638 6.231 -21.477 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -10.172 4.586 -21.896 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -10.361 5.186 -20.232 1.00 1.00 H new ATOM 264 N LYS A 17 -11.276 2.494 -18.840 1.00 1.00 N ATOM 265 CA LYS A 17 -12.367 1.537 -18.703 1.00 1.00 C ATOM 266 C LYS A 17 -12.340 0.885 -17.325 1.00 1.00 C ATOM 267 O LYS A 17 -12.042 -0.303 -17.196 1.00 1.00 O ATOM 268 CB LYS A 17 -12.254 0.458 -19.782 1.00 1.00 C ATOM 269 CG LYS A 17 -12.312 1.108 -21.165 1.00 1.00 C ATOM 270 CD LYS A 17 -11.747 0.142 -22.208 1.00 1.00 C ATOM 271 CE LYS A 17 -11.860 0.770 -23.599 1.00 1.00 C ATOM 272 NZ LYS A 17 -10.609 0.510 -24.365 1.00 1.00 N ATOM 0 H LYS A 17 -11.568 3.437 -19.096 1.00 1.00 H new ATOM 0 HA LYS A 17 -13.310 2.072 -18.820 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -11.319 -0.090 -19.666 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -13.063 -0.264 -19.674 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -13.341 1.367 -21.414 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -11.740 2.036 -21.166 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -10.705 -0.084 -21.983 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -12.292 -0.802 -22.178 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -12.717 0.354 -24.129 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -12.030 1.843 -23.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -10.686 0.937 -25.310 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -9.800 0.927 -23.861 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -10.466 -0.516 -24.459 1.00 1.00 H new ATOM 286 N ASN A 18 -12.654 1.670 -16.298 1.00 1.00 N ATOM 287 CA ASN A 18 -12.664 1.161 -14.930 1.00 1.00 C ATOM 288 C ASN A 18 -14.096 0.986 -14.435 1.00 1.00 C ATOM 289 O ASN A 18 -15.031 0.890 -15.231 1.00 1.00 O ATOM 290 CB ASN A 18 -11.919 2.129 -14.008 1.00 1.00 C ATOM 291 CG ASN A 18 -11.148 1.350 -12.949 1.00 1.00 C ATOM 292 OD1 ASN A 18 -11.493 0.209 -12.640 1.00 1.00 O ATOM 293 ND2 ASN A 18 -10.116 1.901 -12.370 1.00 1.00 N ATOM 0 H ASN A 18 -12.903 2.655 -16.386 1.00 1.00 H new ATOM 0 HA ASN A 18 -12.166 0.192 -14.919 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -11.233 2.744 -14.591 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -12.627 2.806 -13.530 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -9.594 1.386 -11.661 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -9.831 2.846 -12.627 1.00 1.00 H new ATOM 300 N ASN A 19 -14.262 0.944 -13.117 1.00 1.00 N ATOM 301 CA ASN A 19 -15.585 0.781 -12.529 1.00 1.00 C ATOM 302 C ASN A 19 -15.663 1.490 -11.179 1.00 1.00 C ATOM 303 O ASN A 19 -16.558 2.302 -10.944 1.00 1.00 O ATOM 304 CB ASN A 19 -15.895 -0.706 -12.342 1.00 1.00 C ATOM 305 CG ASN A 19 -14.998 -1.543 -13.247 1.00 1.00 C ATOM 306 OD1 ASN A 19 -14.016 -2.124 -12.784 1.00 1.00 O ATOM 307 ND2 ASN A 19 -15.277 -1.642 -14.518 1.00 1.00 N ATOM 0 H ASN A 19 -13.502 1.020 -12.441 1.00 1.00 H new ATOM 0 HA ASN A 19 -16.318 1.224 -13.204 1.00 1.00 H new ATOM 0 HB2 ASN A 19 -15.742 -0.990 -11.301 1.00 1.00 H new ATOM 0 HB3 ASN A 19 -16.942 -0.900 -12.574 1.00 1.00 H new ATOM 0 HD21 ASN A 19 -14.681 -2.201 -15.129 1.00 1.00 H new ATOM 0 HD22 ASN A 19 -16.091 -1.160 -14.901 1.00 1.00 H new ATOM 314 N SER A 20 -14.720 1.177 -10.297 1.00 1.00 N ATOM 315 CA SER A 20 -14.692 1.792 -8.974 1.00 1.00 C ATOM 316 C SER A 20 -15.807 1.229 -8.098 1.00 1.00 C ATOM 317 O SER A 20 -16.974 1.583 -8.259 1.00 1.00 O ATOM 318 CB SER A 20 -14.853 3.307 -9.099 1.00 1.00 C ATOM 319 OG SER A 20 -14.467 3.715 -10.405 1.00 1.00 O ATOM 0 H SER A 20 -13.971 0.507 -10.471 1.00 1.00 H new ATOM 0 HA SER A 20 -13.732 1.567 -8.509 1.00 1.00 H new ATOM 0 HB2 SER A 20 -15.888 3.591 -8.908 1.00 1.00 H new ATOM 0 HB3 SER A 20 -14.241 3.812 -8.352 1.00 1.00 H new ATOM 0 HG SER A 20 -14.571 4.686 -10.488 1.00 1.00 H new ATOM 325 N GLY A 21 -15.437 0.351 -7.171 1.00 1.00 N ATOM 326 CA GLY A 21 -16.416 -0.255 -6.275 1.00 1.00 C ATOM 327 C GLY A 21 -16.835 -1.632 -6.777 1.00 1.00 C ATOM 328 O GLY A 21 -17.140 -1.807 -7.957 1.00 1.00 O ATOM 0 H GLY A 21 -14.476 0.045 -7.021 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -15.994 -0.342 -5.274 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -17.291 0.390 -6.197 1.00 1.00 H new ATOM 332 N GLY A 22 -16.850 -2.607 -5.873 1.00 1.00 N ATOM 333 CA GLY A 22 -17.235 -3.965 -6.237 1.00 1.00 C ATOM 334 C GLY A 22 -16.188 -4.611 -7.131 1.00 1.00 C ATOM 335 O GLY A 22 -15.425 -3.925 -7.811 1.00 1.00 O ATOM 0 H GLY A 22 -16.602 -2.483 -4.891 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -17.366 -4.563 -5.335 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -18.196 -3.948 -6.751 1.00 1.00 H new ATOM 339 N THR A 23 -16.157 -5.936 -7.121 1.00 1.00 N ATOM 340 CA THR A 23 -15.204 -6.676 -7.932 1.00 1.00 C ATOM 341 C THR A 23 -13.777 -6.229 -7.626 1.00 1.00 C ATOM 342 O THR A 23 -13.521 -5.595 -6.603 1.00 1.00 O ATOM 343 CB THR A 23 -15.501 -6.463 -9.418 1.00 1.00 C ATOM 344 OG1 THR A 23 -16.777 -5.853 -9.561 1.00 1.00 O ATOM 345 CG2 THR A 23 -15.495 -7.810 -10.140 1.00 1.00 C ATOM 0 H THR A 23 -16.780 -6.519 -6.561 1.00 1.00 H new ATOM 0 HA THR A 23 -15.300 -7.735 -7.693 1.00 1.00 H new ATOM 0 HB THR A 23 -14.738 -5.818 -9.852 1.00 1.00 H new ATOM 0 HG1 THR A 23 -16.968 -5.714 -10.512 1.00 1.00 H new ATOM 0 HG21 THR A 23 -15.707 -7.657 -11.198 1.00 1.00 H new ATOM 0 HG22 THR A 23 -14.517 -8.278 -10.030 1.00 1.00 H new ATOM 0 HG23 THR A 23 -16.257 -8.458 -9.708 1.00 1.00 H new ATOM 353 N ASN A 24 -12.853 -6.564 -8.521 1.00 1.00 N ATOM 354 CA ASN A 24 -11.455 -6.193 -8.337 1.00 1.00 C ATOM 355 C ASN A 24 -11.035 -6.383 -6.884 1.00 1.00 C ATOM 356 O ASN A 24 -11.364 -7.392 -6.260 1.00 1.00 O ATOM 357 CB ASN A 24 -11.244 -4.733 -8.745 1.00 1.00 C ATOM 358 CG ASN A 24 -11.873 -4.476 -10.110 1.00 1.00 C ATOM 359 OD1 ASN A 24 -11.232 -4.689 -11.140 1.00 1.00 O ATOM 360 ND2 ASN A 24 -13.097 -4.029 -10.181 1.00 1.00 N ATOM 0 H ASN A 24 -13.045 -7.088 -9.375 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.842 -6.839 -8.966 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -11.687 -4.071 -8.001 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -10.178 -4.507 -8.778 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -13.525 -3.855 -11.091 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -13.626 -3.853 -9.327 1.00 1.00 H new ATOM 367 N GLY A 25 -10.307 -5.408 -6.350 1.00 1.00 N ATOM 368 CA GLY A 25 -9.848 -5.478 -4.968 1.00 1.00 C ATOM 369 C GLY A 25 -9.977 -4.124 -4.281 1.00 1.00 C ATOM 370 O GLY A 25 -8.982 -3.540 -3.848 1.00 1.00 O ATOM 0 H GLY A 25 -10.024 -4.565 -6.850 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -10.430 -6.222 -4.425 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -8.809 -5.805 -4.942 1.00 1.00 H new ATOM 374 N ASP A 26 -11.206 -3.627 -4.186 1.00 1.00 N ATOM 375 CA ASP A 26 -11.451 -2.338 -3.549 1.00 1.00 C ATOM 376 C ASP A 26 -12.923 -2.201 -3.170 1.00 1.00 C ATOM 377 O ASP A 26 -13.632 -1.345 -3.701 1.00 1.00 O ATOM 378 CB ASP A 26 -11.057 -1.204 -4.497 1.00 1.00 C ATOM 379 CG ASP A 26 -11.554 -1.506 -5.906 1.00 1.00 C ATOM 380 OD1 ASP A 26 -10.889 -2.260 -6.599 1.00 1.00 O ATOM 381 OD2 ASP A 26 -12.591 -0.979 -6.273 1.00 1.00 O ATOM 0 H ASP A 26 -12.042 -4.093 -4.539 1.00 1.00 H new ATOM 0 HA ASP A 26 -10.847 -2.279 -2.643 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -11.481 -0.263 -4.147 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -9.974 -1.083 -4.503 1.00 1.00 H new ATOM 386 N ARG A 27 -13.374 -3.047 -2.250 1.00 1.00 N ATOM 387 CA ARG A 27 -14.763 -3.010 -1.808 1.00 1.00 C ATOM 388 C ARG A 27 -14.982 -1.862 -0.827 1.00 1.00 C ATOM 389 O ARG A 27 -15.378 -0.764 -1.220 1.00 1.00 O ATOM 390 CB ARG A 27 -15.134 -4.334 -1.137 1.00 1.00 C ATOM 391 CG ARG A 27 -15.525 -5.355 -2.206 1.00 1.00 C ATOM 392 CD ARG A 27 -15.681 -6.734 -1.563 1.00 1.00 C ATOM 393 NE ARG A 27 -16.862 -7.407 -2.092 1.00 1.00 N ATOM 394 CZ ARG A 27 -16.818 -8.065 -3.245 1.00 1.00 C ATOM 395 NH1 ARG A 27 -15.705 -8.118 -3.926 1.00 1.00 N ATOM 396 NH2 ARG A 27 -17.888 -8.661 -3.700 1.00 1.00 N ATOM 0 H ARG A 27 -12.803 -3.762 -1.799 1.00 1.00 H new ATOM 0 HA ARG A 27 -15.398 -2.855 -2.680 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -14.292 -4.707 -0.553 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -15.961 -4.183 -0.443 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -16.458 -5.057 -2.684 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -14.764 -5.390 -2.986 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -14.793 -7.336 -1.757 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -15.766 -6.631 -0.481 1.00 1.00 H new ATOM 0 HE ARG A 27 -17.736 -7.372 -1.568 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -14.868 -7.654 -3.573 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -15.672 -8.624 -4.811 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -18.758 -8.621 -3.170 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -17.853 -9.166 -4.586 1.00 1.00 H new ATOM 410 N ASN A 28 -14.723 -2.124 0.449 1.00 1.00 N ATOM 411 CA ASN A 28 -14.895 -1.104 1.478 1.00 1.00 C ATOM 412 C ASN A 28 -13.841 -1.260 2.570 1.00 1.00 C ATOM 413 O ASN A 28 -13.057 -2.209 2.554 1.00 1.00 O ATOM 414 CB ASN A 28 -16.292 -1.217 2.095 1.00 1.00 C ATOM 415 CG ASN A 28 -17.310 -0.505 1.212 1.00 1.00 C ATOM 416 OD1 ASN A 28 -17.643 0.655 1.458 1.00 1.00 O ATOM 417 ND2 ASN A 28 -17.830 -1.133 0.193 1.00 1.00 N ATOM 0 H ASN A 28 -14.396 -3.026 0.794 1.00 1.00 H new ATOM 0 HA ASN A 28 -14.779 -0.124 1.015 1.00 1.00 H new ATOM 0 HB2 ASN A 28 -16.566 -2.266 2.207 1.00 1.00 H new ATOM 0 HB3 ASN A 28 -16.294 -0.779 3.093 1.00 1.00 H new ATOM 0 HD21 ASN A 28 -18.513 -0.663 -0.401 1.00 1.00 H new ATOM 0 HD22 ASN A 28 -17.553 -2.094 -0.009 1.00 1.00 H new ATOM 424 N SER A 29 -13.833 -0.322 3.514 1.00 1.00 N ATOM 425 CA SER A 29 -12.874 -0.357 4.614 1.00 1.00 C ATOM 426 C SER A 29 -11.508 -0.834 4.130 1.00 1.00 C ATOM 427 O SER A 29 -11.224 -2.033 4.126 1.00 1.00 O ATOM 428 CB SER A 29 -13.379 -1.287 5.717 1.00 1.00 C ATOM 429 OG SER A 29 -12.476 -1.249 6.814 1.00 1.00 O ATOM 0 H SER A 29 -14.477 0.468 3.539 1.00 1.00 H new ATOM 0 HA SER A 29 -12.770 0.654 5.008 1.00 1.00 H new ATOM 0 HB2 SER A 29 -14.374 -0.981 6.040 1.00 1.00 H new ATOM 0 HB3 SER A 29 -13.466 -2.305 5.338 1.00 1.00 H new ATOM 0 HG SER A 29 -12.798 -1.843 7.524 1.00 1.00 H new ATOM 435 N GLY A 30 -10.666 0.109 3.723 1.00 1.00 N ATOM 436 CA GLY A 30 -9.332 -0.227 3.239 1.00 1.00 C ATOM 437 C GLY A 30 -8.641 -1.204 4.181 1.00 1.00 C ATOM 438 O GLY A 30 -9.130 -1.474 5.279 1.00 1.00 O ATOM 0 H GLY A 30 -10.881 1.106 3.718 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -9.402 -0.664 2.243 1.00 1.00 H new ATOM 0 HA3 GLY A 30 -8.735 0.680 3.148 1.00 1.00 H new ATOM 442 N ALA A 31 -7.501 -1.731 3.747 1.00 1.00 N ATOM 443 CA ALA A 31 -6.749 -2.679 4.563 1.00 1.00 C ATOM 444 C ALA A 31 -6.400 -2.063 5.914 1.00 1.00 C ATOM 445 O ALA A 31 -5.585 -1.145 5.996 1.00 1.00 O ATOM 446 CB ALA A 31 -5.466 -3.089 3.838 1.00 1.00 C ATOM 0 H ALA A 31 -7.080 -1.520 2.842 1.00 1.00 H new ATOM 0 HA ALA A 31 -7.369 -3.560 4.728 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -4.910 -3.797 4.454 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -5.719 -3.557 2.887 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -4.853 -2.206 3.657 1.00 1.00 H new ATOM 452 N ASN A 32 -7.020 -2.578 6.970 1.00 1.00 N ATOM 453 CA ASN A 32 -6.766 -2.070 8.314 1.00 1.00 C ATOM 454 C ASN A 32 -5.504 -2.701 8.895 1.00 1.00 C ATOM 455 O ASN A 32 -4.397 -2.207 8.680 1.00 1.00 O ATOM 456 CB ASN A 32 -7.957 -2.381 9.223 1.00 1.00 C ATOM 457 CG ASN A 32 -9.036 -1.319 9.052 1.00 1.00 C ATOM 458 OD1 ASN A 32 -9.785 -1.344 8.075 1.00 1.00 O ATOM 459 ND2 ASN A 32 -9.165 -0.381 9.951 1.00 1.00 N ATOM 0 H ASN A 32 -7.696 -3.340 6.923 1.00 1.00 H new ATOM 0 HA ASN A 32 -6.626 -0.991 8.254 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -8.362 -3.364 8.982 1.00 1.00 H new ATOM 0 HB3 ASN A 32 -7.632 -2.416 10.263 1.00 1.00 H new ATOM 0 HD21 ASN A 32 -9.887 0.332 9.844 1.00 1.00 H new ATOM 0 HD22 ASN A 32 -8.544 -0.361 10.760 1.00 1.00 H new ATOM 466 N ASN A 33 -5.680 -3.793 9.631 1.00 1.00 N ATOM 467 CA ASN A 33 -4.549 -4.483 10.239 1.00 1.00 C ATOM 468 C ASN A 33 -4.058 -5.609 9.335 1.00 1.00 C ATOM 469 O ASN A 33 -4.649 -5.879 8.288 1.00 1.00 O ATOM 470 CB ASN A 33 -4.956 -5.057 11.597 1.00 1.00 C ATOM 471 CG ASN A 33 -3.752 -5.090 12.533 1.00 1.00 C ATOM 472 OD1 ASN A 33 -2.609 -5.016 12.081 1.00 1.00 O ATOM 473 ND2 ASN A 33 -3.941 -5.197 13.820 1.00 1.00 N ATOM 0 H ASN A 33 -6.588 -4.217 9.820 1.00 1.00 H new ATOM 0 HA ASN A 33 -3.741 -3.764 10.376 1.00 1.00 H new ATOM 0 HB2 ASN A 33 -5.750 -4.451 12.034 1.00 1.00 H new ATOM 0 HB3 ASN A 33 -5.356 -6.063 11.470 1.00 1.00 H new ATOM 0 HD21 ASN A 33 -3.141 -5.219 14.453 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -4.888 -5.258 14.193 1.00 1.00 H new ATOM 480 N GLY A 34 -2.978 -6.264 9.747 1.00 1.00 N ATOM 481 CA GLY A 34 -2.418 -7.362 8.965 1.00 1.00 C ATOM 482 C GLY A 34 -2.796 -8.708 9.572 1.00 1.00 C ATOM 483 O GLY A 34 -3.912 -8.891 10.056 1.00 1.00 O ATOM 0 H GLY A 34 -2.476 -6.057 10.610 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -2.782 -7.306 7.939 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -1.333 -7.269 8.924 1.00 1.00 H new ATOM 487 N GLY A 35 -1.858 -9.649 9.542 1.00 1.00 N ATOM 488 CA GLY A 35 -2.103 -10.976 10.092 1.00 1.00 C ATOM 489 C GLY A 35 -2.489 -11.960 8.993 1.00 1.00 C ATOM 490 O GLY A 35 -3.651 -12.033 8.592 1.00 1.00 O ATOM 0 H GLY A 35 -0.927 -9.518 9.145 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -1.210 -11.331 10.606 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -2.899 -10.924 10.835 1.00 1.00 H new ATOM 494 N GLY A 36 -1.508 -12.715 8.510 1.00 1.00 N ATOM 495 CA GLY A 36 -1.757 -13.692 7.456 1.00 1.00 C ATOM 496 C GLY A 36 -2.150 -13.001 6.154 1.00 1.00 C ATOM 497 O GLY A 36 -1.305 -12.421 5.473 1.00 1.00 O ATOM 0 H GLY A 36 -0.540 -12.670 8.829 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -0.864 -14.296 7.296 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -2.551 -14.372 7.765 1.00 1.00 H new ATOM 501 N GLU A 37 -3.441 -13.067 5.826 1.00 1.00 N ATOM 502 CA GLU A 37 -3.959 -12.449 4.606 1.00 1.00 C ATOM 503 C GLU A 37 -2.934 -12.511 3.477 1.00 1.00 C ATOM 504 O GLU A 37 -2.092 -11.623 3.341 1.00 1.00 O ATOM 505 CB GLU A 37 -4.330 -10.990 4.879 1.00 1.00 C ATOM 506 CG GLU A 37 -5.265 -10.484 3.779 1.00 1.00 C ATOM 507 CD GLU A 37 -5.077 -8.984 3.584 1.00 1.00 C ATOM 508 OE1 GLU A 37 -5.163 -8.263 4.564 1.00 1.00 O ATOM 509 OE2 GLU A 37 -4.849 -8.578 2.455 1.00 1.00 O ATOM 0 H GLU A 37 -4.147 -13.542 6.389 1.00 1.00 H new ATOM 0 HA GLU A 37 -4.845 -13.004 4.297 1.00 1.00 H new ATOM 0 HB2 GLU A 37 -4.815 -10.903 5.851 1.00 1.00 H new ATOM 0 HB3 GLU A 37 -3.430 -10.376 4.916 1.00 1.00 H new ATOM 0 HG2 GLU A 37 -5.060 -11.009 2.846 1.00 1.00 H new ATOM 0 HG3 GLU A 37 -6.301 -10.698 4.044 1.00 1.00 H new ATOM 516 N ASN A 38 -3.009 -13.566 2.673 1.00 1.00 N ATOM 517 CA ASN A 38 -2.082 -13.735 1.559 1.00 1.00 C ATOM 518 C ASN A 38 -2.483 -12.847 0.386 1.00 1.00 C ATOM 519 O ASN A 38 -3.441 -12.080 0.474 1.00 1.00 O ATOM 520 CB ASN A 38 -2.063 -15.197 1.112 1.00 1.00 C ATOM 521 CG ASN A 38 -3.387 -15.867 1.465 1.00 1.00 C ATOM 522 OD1 ASN A 38 -3.403 -17.015 1.910 1.00 1.00 O ATOM 523 ND2 ASN A 38 -4.505 -15.215 1.294 1.00 1.00 N ATOM 0 H ASN A 38 -3.697 -14.313 2.770 1.00 1.00 H new ATOM 0 HA ASN A 38 -1.086 -13.445 1.894 1.00 1.00 H new ATOM 0 HB2 ASN A 38 -1.892 -15.255 0.037 1.00 1.00 H new ATOM 0 HB3 ASN A 38 -1.239 -15.723 1.595 1.00 1.00 H new ATOM 0 HD21 ASN A 38 -5.394 -15.656 1.529 1.00 1.00 H new ATOM 0 HD22 ASN A 38 -4.490 -14.264 0.925 1.00 1.00 H new ATOM 530 N SER A 39 -1.742 -12.957 -0.713 1.00 1.00 N ATOM 531 CA SER A 39 -2.027 -12.160 -1.900 1.00 1.00 C ATOM 532 C SER A 39 -1.924 -13.017 -3.158 1.00 1.00 C ATOM 533 O SER A 39 -2.777 -13.867 -3.412 1.00 1.00 O ATOM 534 CB SER A 39 -1.045 -10.993 -1.993 1.00 1.00 C ATOM 535 OG SER A 39 0.275 -11.500 -2.147 1.00 1.00 O ATOM 0 H SER A 39 -0.945 -13.586 -0.805 1.00 1.00 H new ATOM 0 HA SER A 39 -3.043 -11.773 -1.820 1.00 1.00 H new ATOM 0 HB2 SER A 39 -1.302 -10.353 -2.837 1.00 1.00 H new ATOM 0 HB3 SER A 39 -1.108 -10.377 -1.096 1.00 1.00 H new ATOM 0 HG SER A 39 0.907 -10.754 -2.209 1.00 1.00 H new ATOM 541 N ALA A 40 -0.872 -12.789 -3.941 1.00 1.00 N ATOM 542 CA ALA A 40 -0.656 -13.544 -5.176 1.00 1.00 C ATOM 543 C ALA A 40 0.579 -13.013 -5.906 1.00 1.00 C ATOM 544 O ALA A 40 1.164 -12.016 -5.487 1.00 1.00 O ATOM 545 CB ALA A 40 -1.876 -13.430 -6.101 1.00 1.00 C ATOM 0 H ALA A 40 -0.156 -12.089 -3.744 1.00 1.00 H new ATOM 0 HA ALA A 40 -0.505 -14.591 -4.913 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -1.695 -13.998 -7.013 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -2.755 -13.828 -5.594 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -2.045 -12.383 -6.353 1.00 1.00 H new ATOM 551 N PRO A 41 0.988 -13.652 -6.983 1.00 1.00 N ATOM 552 CA PRO A 41 2.182 -13.211 -7.769 1.00 1.00 C ATOM 553 C PRO A 41 2.077 -11.755 -8.224 1.00 1.00 C ATOM 554 O PRO A 41 1.522 -10.912 -7.520 1.00 1.00 O ATOM 555 CB PRO A 41 2.205 -14.154 -8.978 1.00 1.00 C ATOM 556 CG PRO A 41 1.404 -15.345 -8.577 1.00 1.00 C ATOM 557 CD PRO A 41 0.369 -14.858 -7.566 1.00 1.00 C ATOM 0 HA PRO A 41 3.092 -13.256 -7.170 1.00 1.00 H new ATOM 0 HB2 PRO A 41 1.777 -13.673 -9.858 1.00 1.00 H new ATOM 0 HB3 PRO A 41 3.226 -14.437 -9.234 1.00 1.00 H new ATOM 0 HG2 PRO A 41 0.918 -15.794 -9.443 1.00 1.00 H new ATOM 0 HG3 PRO A 41 2.043 -16.111 -8.138 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -0.582 -14.627 -8.046 1.00 1.00 H new ATOM 0 HD3 PRO A 41 0.167 -15.612 -6.805 1.00 1.00 H new ATOM 565 N VAL A 42 2.613 -11.474 -9.411 1.00 1.00 N ATOM 566 CA VAL A 42 2.583 -10.123 -9.973 1.00 1.00 C ATOM 567 C VAL A 42 2.737 -9.065 -8.880 1.00 1.00 C ATOM 568 O VAL A 42 2.011 -8.072 -8.855 1.00 1.00 O ATOM 569 CB VAL A 42 1.277 -9.904 -10.751 1.00 1.00 C ATOM 570 CG1 VAL A 42 0.064 -10.117 -9.836 1.00 1.00 C ATOM 571 CG2 VAL A 42 1.248 -8.480 -11.309 1.00 1.00 C ATOM 0 H VAL A 42 3.074 -12.165 -10.003 1.00 1.00 H new ATOM 0 HA VAL A 42 3.425 -10.021 -10.657 1.00 1.00 H new ATOM 0 HB VAL A 42 1.232 -10.623 -11.569 1.00 1.00 H new ATOM 0 HG11 VAL A 42 -0.853 -9.958 -10.404 1.00 1.00 H new ATOM 0 HG12 VAL A 42 0.077 -11.135 -9.446 1.00 1.00 H new ATOM 0 HG13 VAL A 42 0.105 -9.410 -9.007 1.00 1.00 H new ATOM 0 HG21 VAL A 42 0.321 -8.324 -11.861 1.00 1.00 H new ATOM 0 HG22 VAL A 42 1.305 -7.766 -10.487 1.00 1.00 H new ATOM 0 HG23 VAL A 42 2.097 -8.333 -11.977 1.00 1.00 H new ATOM 581 N GLY A 43 3.689 -9.285 -7.978 1.00 1.00 N ATOM 582 CA GLY A 43 3.926 -8.339 -6.893 1.00 1.00 C ATOM 583 C GLY A 43 4.624 -9.014 -5.720 1.00 1.00 C ATOM 584 O GLY A 43 5.517 -8.435 -5.105 1.00 1.00 O ATOM 0 H GLY A 43 4.302 -10.100 -7.976 1.00 1.00 H new ATOM 0 HA2 GLY A 43 4.535 -7.511 -7.255 1.00 1.00 H new ATOM 0 HA3 GLY A 43 2.978 -7.916 -6.561 1.00 1.00 H new ATOM 588 N ALA A 44 4.218 -10.241 -5.415 1.00 1.00 N ATOM 589 CA ALA A 44 4.820 -10.978 -4.310 1.00 1.00 C ATOM 590 C ALA A 44 6.342 -10.951 -4.420 1.00 1.00 C ATOM 591 O ALA A 44 7.050 -11.094 -3.423 1.00 1.00 O ATOM 592 CB ALA A 44 4.332 -12.426 -4.320 1.00 1.00 C ATOM 0 H ALA A 44 3.482 -10.743 -5.912 1.00 1.00 H new ATOM 0 HA ALA A 44 4.524 -10.503 -3.375 1.00 1.00 H new ATOM 0 HB1 ALA A 44 4.787 -12.969 -3.491 1.00 1.00 H new ATOM 0 HB2 ALA A 44 3.247 -12.445 -4.215 1.00 1.00 H new ATOM 0 HB3 ALA A 44 4.613 -12.898 -5.261 1.00 1.00 H new ATOM 598 N ALA A 45 6.835 -10.775 -5.640 1.00 1.00 N ATOM 599 CA ALA A 45 8.273 -10.738 -5.877 1.00 1.00 C ATOM 600 C ALA A 45 8.911 -9.517 -5.218 1.00 1.00 C ATOM 601 O ALA A 45 10.085 -9.548 -4.855 1.00 1.00 O ATOM 602 CB ALA A 45 8.549 -10.709 -7.382 1.00 1.00 C ATOM 0 H ALA A 45 6.264 -10.656 -6.477 1.00 1.00 H new ATOM 0 HA ALA A 45 8.712 -11.634 -5.437 1.00 1.00 H new ATOM 0 HB1 ALA A 45 9.625 -10.681 -7.554 1.00 1.00 H new ATOM 0 HB2 ALA A 45 8.130 -11.602 -7.846 1.00 1.00 H new ATOM 0 HB3 ALA A 45 8.089 -9.823 -7.819 1.00 1.00 H new ATOM 608 N ILE A 46 8.132 -8.442 -5.073 1.00 1.00 N ATOM 609 CA ILE A 46 8.643 -7.216 -4.460 1.00 1.00 C ATOM 610 C ILE A 46 7.919 -6.910 -3.152 1.00 1.00 C ATOM 611 O ILE A 46 8.467 -6.249 -2.270 1.00 1.00 O ATOM 612 CB ILE A 46 8.463 -6.042 -5.426 1.00 1.00 C ATOM 613 CG1 ILE A 46 7.070 -6.106 -6.055 1.00 1.00 C ATOM 614 CG2 ILE A 46 9.524 -6.118 -6.526 1.00 1.00 C ATOM 615 CD1 ILE A 46 6.786 -4.804 -6.806 1.00 1.00 C ATOM 0 H ILE A 46 7.157 -8.396 -5.368 1.00 1.00 H new ATOM 0 HA ILE A 46 9.701 -7.361 -4.243 1.00 1.00 H new ATOM 0 HB ILE A 46 8.572 -5.104 -4.881 1.00 1.00 H new ATOM 0 HG12 ILE A 46 7.007 -6.953 -6.738 1.00 1.00 H new ATOM 0 HG13 ILE A 46 6.318 -6.263 -5.282 1.00 1.00 H new ATOM 0 HG21 ILE A 46 9.396 -5.282 -7.214 1.00 1.00 H new ATOM 0 HG22 ILE A 46 10.517 -6.070 -6.078 1.00 1.00 H new ATOM 0 HG23 ILE A 46 9.417 -7.056 -7.071 1.00 1.00 H new ATOM 0 HD11 ILE A 46 5.793 -4.851 -7.254 1.00 1.00 H new ATOM 0 HD12 ILE A 46 6.831 -3.966 -6.111 1.00 1.00 H new ATOM 0 HD13 ILE A 46 7.531 -4.666 -7.590 1.00 1.00 H new ATOM 627 N ALA A 47 6.688 -7.397 -3.028 1.00 1.00 N ATOM 628 CA ALA A 47 5.905 -7.169 -1.818 1.00 1.00 C ATOM 629 C ALA A 47 6.551 -7.863 -0.624 1.00 1.00 C ATOM 630 O ALA A 47 6.392 -7.434 0.519 1.00 1.00 O ATOM 631 CB ALA A 47 4.481 -7.694 -2.009 1.00 1.00 C ATOM 0 H ALA A 47 6.214 -7.948 -3.744 1.00 1.00 H new ATOM 0 HA ALA A 47 5.872 -6.097 -1.626 1.00 1.00 H new ATOM 0 HB1 ALA A 47 3.904 -7.520 -1.101 1.00 1.00 H new ATOM 0 HB2 ALA A 47 4.010 -7.174 -2.843 1.00 1.00 H new ATOM 0 HB3 ALA A 47 4.512 -8.763 -2.219 1.00 1.00 H new ATOM 637 N ASN A 48 7.283 -8.937 -0.899 1.00 1.00 N ATOM 638 CA ASN A 48 7.952 -9.683 0.158 1.00 1.00 C ATOM 639 C ASN A 48 9.273 -9.016 0.510 1.00 1.00 C ATOM 640 O ASN A 48 9.949 -9.409 1.461 1.00 1.00 O ATOM 641 CB ASN A 48 8.206 -11.122 -0.296 1.00 1.00 C ATOM 642 CG ASN A 48 8.057 -12.077 0.883 1.00 1.00 C ATOM 643 OD1 ASN A 48 8.982 -12.228 1.680 1.00 1.00 O ATOM 644 ND2 ASN A 48 6.943 -12.737 1.039 1.00 1.00 N ATOM 0 H ASN A 48 7.427 -9.308 -1.838 1.00 1.00 H new ATOM 0 HA ASN A 48 7.311 -9.694 1.040 1.00 1.00 H new ATOM 0 HB2 ASN A 48 7.503 -11.392 -1.084 1.00 1.00 H new ATOM 0 HB3 ASN A 48 9.207 -11.207 -0.719 1.00 1.00 H new ATOM 0 HD21 ASN A 48 6.837 -13.380 1.823 1.00 1.00 H new ATOM 0 HD22 ASN A 48 6.178 -12.610 0.377 1.00 1.00 H new ATOM 651 N PHE A 49 9.631 -8.000 -0.266 1.00 1.00 N ATOM 652 CA PHE A 49 10.871 -7.275 -0.035 1.00 1.00 C ATOM 653 C PHE A 49 10.602 -6.005 0.765 1.00 1.00 C ATOM 654 O PHE A 49 11.498 -5.189 0.975 1.00 1.00 O ATOM 655 CB PHE A 49 11.519 -6.916 -1.374 1.00 1.00 C ATOM 656 CG PHE A 49 12.764 -7.747 -1.565 1.00 1.00 C ATOM 657 CD1 PHE A 49 12.682 -9.145 -1.510 1.00 1.00 C ATOM 658 CD2 PHE A 49 13.998 -7.128 -1.795 1.00 1.00 C ATOM 659 CE1 PHE A 49 13.834 -9.921 -1.685 1.00 1.00 C ATOM 660 CE2 PHE A 49 15.150 -7.904 -1.969 1.00 1.00 C ATOM 661 CZ PHE A 49 15.068 -9.302 -1.915 1.00 1.00 C ATOM 0 H PHE A 49 9.082 -7.662 -1.057 1.00 1.00 H new ATOM 0 HA PHE A 49 11.548 -7.912 0.535 1.00 1.00 H new ATOM 0 HB2 PHE A 49 10.819 -7.096 -2.190 1.00 1.00 H new ATOM 0 HB3 PHE A 49 11.769 -5.855 -1.397 1.00 1.00 H new ATOM 0 HD1 PHE A 49 11.730 -9.624 -1.333 1.00 1.00 H new ATOM 0 HD2 PHE A 49 14.061 -6.051 -1.838 1.00 1.00 H new ATOM 0 HE1 PHE A 49 13.770 -10.998 -1.642 1.00 1.00 H new ATOM 0 HE2 PHE A 49 16.102 -7.425 -2.145 1.00 1.00 H new ATOM 0 HZ PHE A 49 15.956 -9.901 -2.051 1.00 1.00 H new ATOM 671 N LEU A 50 9.359 -5.854 1.216 1.00 1.00 N ATOM 672 CA LEU A 50 8.966 -4.688 2.003 1.00 1.00 C ATOM 673 C LEU A 50 8.316 -5.139 3.312 1.00 1.00 C ATOM 674 O LEU A 50 7.143 -5.509 3.339 1.00 1.00 O ATOM 675 CB LEU A 50 7.981 -3.822 1.205 1.00 1.00 C ATOM 676 CG LEU A 50 8.741 -2.901 0.239 1.00 1.00 C ATOM 677 CD1 LEU A 50 8.026 -2.873 -1.114 1.00 1.00 C ATOM 678 CD2 LEU A 50 8.780 -1.483 0.815 1.00 1.00 C ATOM 0 H LEU A 50 8.608 -6.524 1.050 1.00 1.00 H new ATOM 0 HA LEU A 50 9.855 -4.098 2.229 1.00 1.00 H new ATOM 0 HB2 LEU A 50 7.296 -4.460 0.647 1.00 1.00 H new ATOM 0 HB3 LEU A 50 7.376 -3.225 1.887 1.00 1.00 H new ATOM 0 HG LEU A 50 9.756 -3.275 0.108 1.00 1.00 H new ATOM 0 HD11 LEU A 50 8.567 -2.219 -1.798 1.00 1.00 H new ATOM 0 HD12 LEU A 50 7.990 -3.881 -1.528 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.011 -2.499 -0.981 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.319 -0.827 0.131 1.00 1.00 H new ATOM 0 HD22 LEU A 50 7.762 -1.115 0.944 1.00 1.00 H new ATOM 0 HD23 LEU A 50 9.287 -1.496 1.780 1.00 1.00 H new ATOM 690 N GLU A 51 9.094 -5.115 4.391 1.00 1.00 N ATOM 691 CA GLU A 51 8.598 -5.535 5.700 1.00 1.00 C ATOM 692 C GLU A 51 7.245 -4.882 6.011 1.00 1.00 C ATOM 693 O GLU A 51 6.954 -3.793 5.519 1.00 1.00 O ATOM 694 CB GLU A 51 9.613 -5.152 6.783 1.00 1.00 C ATOM 695 CG GLU A 51 10.666 -6.254 6.925 1.00 1.00 C ATOM 696 CD GLU A 51 10.233 -7.252 7.993 1.00 1.00 C ATOM 697 OE1 GLU A 51 9.983 -6.824 9.108 1.00 1.00 O ATOM 698 OE2 GLU A 51 10.158 -8.430 7.683 1.00 1.00 O ATOM 0 H GLU A 51 10.067 -4.810 4.386 1.00 1.00 H new ATOM 0 HA GLU A 51 8.464 -6.617 5.685 1.00 1.00 H new ATOM 0 HB2 GLU A 51 10.094 -4.209 6.525 1.00 1.00 H new ATOM 0 HB3 GLU A 51 9.103 -5.000 7.734 1.00 1.00 H new ATOM 0 HG2 GLU A 51 10.801 -6.765 5.972 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.628 -5.817 7.192 1.00 1.00 H new ATOM 705 N PRO A 52 6.419 -5.524 6.811 1.00 1.00 N ATOM 706 CA PRO A 52 5.071 -4.987 7.182 1.00 1.00 C ATOM 707 C PRO A 52 5.155 -3.668 7.948 1.00 1.00 C ATOM 708 O PRO A 52 4.557 -2.668 7.547 1.00 1.00 O ATOM 709 CB PRO A 52 4.453 -6.085 8.054 1.00 1.00 C ATOM 710 CG PRO A 52 5.594 -6.922 8.523 1.00 1.00 C ATOM 711 CD PRO A 52 6.674 -6.826 7.450 1.00 1.00 C ATOM 0 HA PRO A 52 4.477 -4.759 6.297 1.00 1.00 H new ATOM 0 HB2 PRO A 52 3.910 -5.656 8.897 1.00 1.00 H new ATOM 0 HB3 PRO A 52 3.739 -6.681 7.485 1.00 1.00 H new ATOM 0 HG2 PRO A 52 5.968 -6.565 9.482 1.00 1.00 H new ATOM 0 HG3 PRO A 52 5.282 -7.956 8.668 1.00 1.00 H new ATOM 0 HD2 PRO A 52 7.673 -6.870 7.883 1.00 1.00 H new ATOM 0 HD3 PRO A 52 6.600 -7.644 6.734 1.00 1.00 H new ATOM 719 N GLN A 53 5.890 -3.672 9.057 1.00 1.00 N ATOM 720 CA GLN A 53 6.030 -2.466 9.867 1.00 1.00 C ATOM 721 C GLN A 53 6.669 -1.355 9.046 1.00 1.00 C ATOM 722 O GLN A 53 6.205 -0.215 9.049 1.00 1.00 O ATOM 723 CB GLN A 53 6.896 -2.759 11.097 1.00 1.00 C ATOM 724 CG GLN A 53 6.997 -1.501 11.962 1.00 1.00 C ATOM 725 CD GLN A 53 6.624 -1.829 13.404 1.00 1.00 C ATOM 726 OE1 GLN A 53 5.524 -1.502 13.851 1.00 1.00 O ATOM 727 NE2 GLN A 53 7.479 -2.456 14.163 1.00 1.00 N ATOM 0 H GLN A 53 6.392 -4.486 9.412 1.00 1.00 H new ATOM 0 HA GLN A 53 5.040 -2.146 10.192 1.00 1.00 H new ATOM 0 HB2 GLN A 53 6.462 -3.576 11.674 1.00 1.00 H new ATOM 0 HB3 GLN A 53 7.890 -3.081 10.787 1.00 1.00 H new ATOM 0 HG2 GLN A 53 8.011 -1.102 11.921 1.00 1.00 H new ATOM 0 HG3 GLN A 53 6.334 -0.728 11.573 1.00 1.00 H new ATOM 0 HE21 GLN A 53 8.389 -2.726 13.791 1.00 1.00 H new ATOM 0 HE22 GLN A 53 7.237 -2.677 15.129 1.00 1.00 H new ATOM 736 N ALA A 54 7.733 -1.703 8.333 1.00 1.00 N ATOM 737 CA ALA A 54 8.427 -0.735 7.496 1.00 1.00 C ATOM 738 C ALA A 54 7.478 -0.189 6.439 1.00 1.00 C ATOM 739 O ALA A 54 7.621 0.947 5.983 1.00 1.00 O ATOM 740 CB ALA A 54 9.618 -1.401 6.810 1.00 1.00 C ATOM 0 H ALA A 54 8.131 -2.642 8.318 1.00 1.00 H new ATOM 0 HA ALA A 54 8.780 0.083 8.123 1.00 1.00 H new ATOM 0 HB1 ALA A 54 10.133 -0.671 6.185 1.00 1.00 H new ATOM 0 HB2 ALA A 54 10.306 -1.782 7.565 1.00 1.00 H new ATOM 0 HB3 ALA A 54 9.266 -2.226 6.190 1.00 1.00 H new ATOM 746 N LEU A 55 6.509 -1.012 6.052 1.00 1.00 N ATOM 747 CA LEU A 55 5.537 -0.606 5.042 1.00 1.00 C ATOM 748 C LEU A 55 4.747 0.606 5.522 1.00 1.00 C ATOM 749 O LEU A 55 4.396 1.483 4.733 1.00 1.00 O ATOM 750 CB LEU A 55 4.578 -1.759 4.733 1.00 1.00 C ATOM 751 CG LEU A 55 4.532 -1.992 3.220 1.00 1.00 C ATOM 752 CD1 LEU A 55 3.580 -3.148 2.903 1.00 1.00 C ATOM 753 CD2 LEU A 55 4.041 -0.723 2.519 1.00 1.00 C ATOM 0 H LEU A 55 6.376 -1.955 6.418 1.00 1.00 H new ATOM 0 HA LEU A 55 6.077 -0.340 4.133 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.906 -2.665 5.242 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.581 -1.527 5.107 1.00 1.00 H new ATOM 0 HG LEU A 55 5.533 -2.240 2.866 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.551 -3.310 1.826 1.00 1.00 H new ATOM 0 HD12 LEU A 55 3.931 -4.054 3.397 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.580 -2.904 3.261 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.009 -0.891 1.443 1.00 1.00 H new ATOM 0 HD22 LEU A 55 3.042 -0.473 2.877 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.721 0.100 2.738 1.00 1.00 H new ATOM 765 N GLU A 56 4.479 0.650 6.821 1.00 1.00 N ATOM 766 CA GLU A 56 3.737 1.762 7.399 1.00 1.00 C ATOM 767 C GLU A 56 4.568 3.040 7.343 1.00 1.00 C ATOM 768 O GLU A 56 4.033 4.132 7.153 1.00 1.00 O ATOM 769 CB GLU A 56 3.372 1.452 8.852 1.00 1.00 C ATOM 770 CG GLU A 56 2.155 2.282 9.260 1.00 1.00 C ATOM 771 CD GLU A 56 0.878 1.628 8.745 1.00 1.00 C ATOM 772 OE1 GLU A 56 0.530 1.872 7.601 1.00 1.00 O ATOM 773 OE2 GLU A 56 0.268 0.890 9.499 1.00 1.00 O ATOM 0 H GLU A 56 4.762 -0.066 7.490 1.00 1.00 H new ATOM 0 HA GLU A 56 2.824 1.906 6.821 1.00 1.00 H new ATOM 0 HB2 GLU A 56 3.155 0.390 8.965 1.00 1.00 H new ATOM 0 HB3 GLU A 56 4.215 1.677 9.506 1.00 1.00 H new ATOM 0 HG2 GLU A 56 2.114 2.372 10.345 1.00 1.00 H new ATOM 0 HG3 GLU A 56 2.243 3.292 8.859 1.00 1.00 H new ATOM 780 N ARG A 57 5.878 2.895 7.516 1.00 1.00 N ATOM 781 CA ARG A 57 6.774 4.043 7.490 1.00 1.00 C ATOM 782 C ARG A 57 6.675 4.782 6.159 1.00 1.00 C ATOM 783 O ARG A 57 6.405 5.983 6.128 1.00 1.00 O ATOM 784 CB ARG A 57 8.217 3.585 7.710 1.00 1.00 C ATOM 785 CG ARG A 57 8.760 4.204 9.000 1.00 1.00 C ATOM 786 CD ARG A 57 8.845 5.723 8.844 1.00 1.00 C ATOM 787 NE ARG A 57 8.116 6.380 9.922 1.00 1.00 N ATOM 788 CZ ARG A 57 8.497 6.250 11.189 1.00 1.00 C ATOM 789 NH1 ARG A 57 9.552 5.538 11.482 1.00 1.00 N ATOM 790 NH2 ARG A 57 7.818 6.833 12.138 1.00 1.00 N ATOM 0 H ARG A 57 6.339 1.999 7.675 1.00 1.00 H new ATOM 0 HA ARG A 57 6.478 4.722 8.290 1.00 1.00 H new ATOM 0 HB2 ARG A 57 8.259 2.497 7.771 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.836 3.881 6.863 1.00 1.00 H new ATOM 0 HG2 ARG A 57 8.111 3.950 9.838 1.00 1.00 H new ATOM 0 HG3 ARG A 57 9.745 3.796 9.225 1.00 1.00 H new ATOM 0 HD2 ARG A 57 9.888 6.039 8.855 1.00 1.00 H new ATOM 0 HD3 ARG A 57 8.431 6.021 7.881 1.00 1.00 H new ATOM 0 HE ARG A 57 7.299 6.949 9.700 1.00 1.00 H new ATOM 0 HH11 ARG A 57 10.082 5.083 10.739 1.00 1.00 H new ATOM 0 HH12 ARG A 57 9.846 5.437 12.454 1.00 1.00 H new ATOM 0 HH21 ARG A 57 6.994 7.389 11.908 1.00 1.00 H new ATOM 0 HH22 ARG A 57 8.111 6.733 13.110 1.00 1.00 H new ATOM 804 N LEU A 58 6.895 4.065 5.061 1.00 1.00 N ATOM 805 CA LEU A 58 6.824 4.687 3.742 1.00 1.00 C ATOM 806 C LEU A 58 5.435 5.281 3.519 1.00 1.00 C ATOM 807 O LEU A 58 5.276 6.294 2.841 1.00 1.00 O ATOM 808 CB LEU A 58 7.127 3.652 2.650 1.00 1.00 C ATOM 809 CG LEU A 58 7.246 4.346 1.286 1.00 1.00 C ATOM 810 CD1 LEU A 58 8.433 5.316 1.282 1.00 1.00 C ATOM 811 CD2 LEU A 58 7.460 3.291 0.197 1.00 1.00 C ATOM 0 H LEU A 58 7.120 3.070 5.056 1.00 1.00 H new ATOM 0 HA LEU A 58 7.567 5.483 3.691 1.00 1.00 H new ATOM 0 HB2 LEU A 58 8.054 3.127 2.882 1.00 1.00 H new ATOM 0 HB3 LEU A 58 6.336 2.903 2.618 1.00 1.00 H new ATOM 0 HG LEU A 58 6.329 4.903 1.094 1.00 1.00 H new ATOM 0 HD11 LEU A 58 8.504 5.800 0.308 1.00 1.00 H new ATOM 0 HD12 LEU A 58 8.287 6.072 2.053 1.00 1.00 H new ATOM 0 HD13 LEU A 58 9.353 4.766 1.482 1.00 1.00 H new ATOM 0 HD21 LEU A 58 7.545 3.781 -0.773 1.00 1.00 H new ATOM 0 HD22 LEU A 58 8.374 2.735 0.404 1.00 1.00 H new ATOM 0 HD23 LEU A 58 6.613 2.605 0.184 1.00 1.00 H new ATOM 823 N SER A 59 4.429 4.639 4.099 1.00 1.00 N ATOM 824 CA SER A 59 3.059 5.116 3.974 1.00 1.00 C ATOM 825 C SER A 59 2.885 6.453 4.696 1.00 1.00 C ATOM 826 O SER A 59 2.217 7.358 4.199 1.00 1.00 O ATOM 827 CB SER A 59 2.095 4.086 4.564 1.00 1.00 C ATOM 828 OG SER A 59 1.025 3.868 3.654 1.00 1.00 O ATOM 0 H SER A 59 4.535 3.792 4.657 1.00 1.00 H new ATOM 0 HA SER A 59 2.838 5.258 2.916 1.00 1.00 H new ATOM 0 HB2 SER A 59 2.619 3.150 4.758 1.00 1.00 H new ATOM 0 HB3 SER A 59 1.708 4.439 5.520 1.00 1.00 H new ATOM 0 HG SER A 59 0.406 3.207 4.029 1.00 1.00 H new ATOM 834 N ARG A 60 3.472 6.550 5.889 1.00 1.00 N ATOM 835 CA ARG A 60 3.363 7.758 6.707 1.00 1.00 C ATOM 836 C ARG A 60 4.074 8.960 6.083 1.00 1.00 C ATOM 837 O ARG A 60 3.524 10.060 6.053 1.00 1.00 O ATOM 838 CB ARG A 60 3.955 7.495 8.093 1.00 1.00 C ATOM 839 CG ARG A 60 3.730 8.720 8.985 1.00 1.00 C ATOM 840 CD ARG A 60 4.157 8.397 10.416 1.00 1.00 C ATOM 841 NE ARG A 60 3.057 7.781 11.147 1.00 1.00 N ATOM 842 CZ ARG A 60 3.148 7.539 12.449 1.00 1.00 C ATOM 843 NH1 ARG A 60 4.235 7.857 13.098 1.00 1.00 N ATOM 844 NH2 ARG A 60 2.151 6.981 13.080 1.00 1.00 N ATOM 0 H ARG A 60 4.028 5.806 6.311 1.00 1.00 H new ATOM 0 HA ARG A 60 2.303 8.000 6.777 1.00 1.00 H new ATOM 0 HB2 ARG A 60 3.488 6.617 8.539 1.00 1.00 H new ATOM 0 HB3 ARG A 60 5.021 7.283 8.011 1.00 1.00 H new ATOM 0 HG2 ARG A 60 4.301 9.568 8.607 1.00 1.00 H new ATOM 0 HG3 ARG A 60 2.679 9.009 8.965 1.00 1.00 H new ATOM 0 HD2 ARG A 60 5.015 7.725 10.403 1.00 1.00 H new ATOM 0 HD3 ARG A 60 4.473 9.309 10.923 1.00 1.00 H new ATOM 0 HE ARG A 60 2.202 7.531 10.649 1.00 1.00 H new ATOM 0 HH11 ARG A 60 5.015 8.292 12.605 1.00 1.00 H new ATOM 0 HH12 ARG A 60 4.305 7.671 14.098 1.00 1.00 H new ATOM 0 HH21 ARG A 60 1.302 6.731 12.573 1.00 1.00 H new ATOM 0 HH22 ARG A 60 2.221 6.795 14.080 1.00 1.00 H new ATOM 858 N VAL A 61 5.297 8.760 5.599 1.00 1.00 N ATOM 859 CA VAL A 61 6.050 9.860 5.003 1.00 1.00 C ATOM 860 C VAL A 61 5.403 10.310 3.697 1.00 1.00 C ATOM 861 O VAL A 61 5.307 11.505 3.419 1.00 1.00 O ATOM 862 CB VAL A 61 7.496 9.430 4.735 1.00 1.00 C ATOM 863 CG1 VAL A 61 7.499 8.281 3.742 1.00 1.00 C ATOM 864 CG2 VAL A 61 8.287 10.607 4.157 1.00 1.00 C ATOM 0 H VAL A 61 5.781 7.862 5.607 1.00 1.00 H new ATOM 0 HA VAL A 61 6.046 10.693 5.706 1.00 1.00 H new ATOM 0 HB VAL A 61 7.960 9.111 5.669 1.00 1.00 H new ATOM 0 HG11 VAL A 61 8.526 7.971 3.548 1.00 1.00 H new ATOM 0 HG12 VAL A 61 6.938 7.442 4.155 1.00 1.00 H new ATOM 0 HG13 VAL A 61 7.035 8.604 2.810 1.00 1.00 H new ATOM 0 HG21 VAL A 61 9.315 10.297 3.968 1.00 1.00 H new ATOM 0 HG22 VAL A 61 7.828 10.930 3.223 1.00 1.00 H new ATOM 0 HG23 VAL A 61 8.282 11.433 4.868 1.00 1.00 H new ATOM 874 N ALA A 62 4.971 9.346 2.894 1.00 1.00 N ATOM 875 CA ALA A 62 4.346 9.656 1.615 1.00 1.00 C ATOM 876 C ALA A 62 3.187 10.634 1.793 1.00 1.00 C ATOM 877 O ALA A 62 2.957 11.499 0.948 1.00 1.00 O ATOM 878 CB ALA A 62 3.832 8.371 0.961 1.00 1.00 C ATOM 0 H ALA A 62 5.041 8.350 3.103 1.00 1.00 H new ATOM 0 HA ALA A 62 5.097 10.120 0.975 1.00 1.00 H new ATOM 0 HB1 ALA A 62 3.366 8.610 0.005 1.00 1.00 H new ATOM 0 HB2 ALA A 62 4.665 7.688 0.797 1.00 1.00 H new ATOM 0 HB3 ALA A 62 3.098 7.899 1.614 1.00 1.00 H new ATOM 884 N LEU A 63 2.456 10.491 2.896 1.00 1.00 N ATOM 885 CA LEU A 63 1.320 11.365 3.168 1.00 1.00 C ATOM 886 C LEU A 63 1.772 12.814 3.276 1.00 1.00 C ATOM 887 O LEU A 63 0.965 13.735 3.154 1.00 1.00 O ATOM 888 CB LEU A 63 0.649 10.964 4.488 1.00 1.00 C ATOM 889 CG LEU A 63 -0.591 10.094 4.229 1.00 1.00 C ATOM 890 CD1 LEU A 63 -0.177 8.734 3.659 1.00 1.00 C ATOM 891 CD2 LEU A 63 -1.335 9.878 5.549 1.00 1.00 C ATOM 0 H LEU A 63 2.629 9.784 3.610 1.00 1.00 H new ATOM 0 HA LEU A 63 0.614 11.264 2.344 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.358 10.418 5.110 1.00 1.00 H new ATOM 0 HB3 LEU A 63 0.362 11.858 5.041 1.00 1.00 H new ATOM 0 HG LEU A 63 -1.236 10.599 3.510 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.066 8.129 3.481 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.357 8.880 2.720 1.00 1.00 H new ATOM 0 HD13 LEU A 63 0.473 8.224 4.370 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -2.216 9.261 5.373 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -0.677 9.377 6.260 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.642 10.842 5.956 1.00 1.00 H new ATOM 903 N VAL A 64 3.063 13.005 3.529 1.00 1.00 N ATOM 904 CA VAL A 64 3.611 14.345 3.680 1.00 1.00 C ATOM 905 C VAL A 64 4.509 14.721 2.500 1.00 1.00 C ATOM 906 O VAL A 64 4.404 15.824 1.965 1.00 1.00 O ATOM 907 CB VAL A 64 4.399 14.424 4.985 1.00 1.00 C ATOM 908 CG1 VAL A 64 4.037 15.715 5.718 1.00 1.00 C ATOM 909 CG2 VAL A 64 4.039 13.229 5.871 1.00 1.00 C ATOM 0 H VAL A 64 3.744 12.253 3.633 1.00 1.00 H new ATOM 0 HA VAL A 64 2.784 15.054 3.703 1.00 1.00 H new ATOM 0 HB VAL A 64 5.466 14.411 4.765 1.00 1.00 H new ATOM 0 HG11 VAL A 64 4.599 15.774 6.650 1.00 1.00 H new ATOM 0 HG12 VAL A 64 4.285 16.571 5.091 1.00 1.00 H new ATOM 0 HG13 VAL A 64 2.969 15.722 5.937 1.00 1.00 H new ATOM 0 HG21 VAL A 64 4.601 13.285 6.803 1.00 1.00 H new ATOM 0 HG22 VAL A 64 2.971 13.247 6.090 1.00 1.00 H new ATOM 0 HG23 VAL A 64 4.288 12.303 5.352 1.00 1.00 H new ATOM 919 N ARG A 65 5.388 13.805 2.097 1.00 1.00 N ATOM 920 CA ARG A 65 6.291 14.071 0.975 1.00 1.00 C ATOM 921 C ARG A 65 6.382 12.860 0.051 1.00 1.00 C ATOM 922 O ARG A 65 7.314 12.060 0.140 1.00 1.00 O ATOM 923 CB ARG A 65 7.686 14.432 1.483 1.00 1.00 C ATOM 924 CG ARG A 65 7.580 15.357 2.696 1.00 1.00 C ATOM 925 CD ARG A 65 8.872 16.164 2.834 1.00 1.00 C ATOM 926 NE ARG A 65 8.796 17.377 2.028 1.00 1.00 N ATOM 927 CZ ARG A 65 8.035 18.402 2.399 1.00 1.00 C ATOM 928 NH1 ARG A 65 7.343 18.335 3.503 1.00 1.00 N ATOM 929 NH2 ARG A 65 7.982 19.476 1.659 1.00 1.00 N ATOM 0 H ARG A 65 5.495 12.884 2.523 1.00 1.00 H new ATOM 0 HA ARG A 65 5.885 14.913 0.413 1.00 1.00 H new ATOM 0 HB2 ARG A 65 8.229 13.526 1.753 1.00 1.00 H new ATOM 0 HB3 ARG A 65 8.255 14.921 0.692 1.00 1.00 H new ATOM 0 HG2 ARG A 65 6.729 16.029 2.582 1.00 1.00 H new ATOM 0 HG3 ARG A 65 7.405 14.772 3.599 1.00 1.00 H new ATOM 0 HD2 ARG A 65 9.038 16.423 3.880 1.00 1.00 H new ATOM 0 HD3 ARG A 65 9.722 15.560 2.517 1.00 1.00 H new ATOM 0 HE ARG A 65 9.336 17.440 1.165 1.00 1.00 H new ATOM 0 HH11 ARG A 65 7.386 17.496 4.082 1.00 1.00 H new ATOM 0 HH12 ARG A 65 6.759 19.122 3.787 1.00 1.00 H new ATOM 0 HH21 ARG A 65 8.524 19.528 0.797 1.00 1.00 H new ATOM 0 HH22 ARG A 65 7.398 20.263 1.943 1.00 1.00 H new ATOM 943 N ARG A 66 5.405 12.744 -0.840 1.00 1.00 N ATOM 944 CA ARG A 66 5.357 11.645 -1.798 1.00 1.00 C ATOM 945 C ARG A 66 6.587 11.639 -2.703 1.00 1.00 C ATOM 946 O ARG A 66 7.019 10.585 -3.171 1.00 1.00 O ATOM 947 CB ARG A 66 4.096 11.763 -2.655 1.00 1.00 C ATOM 948 CG ARG A 66 4.076 13.126 -3.350 1.00 1.00 C ATOM 949 CD ARG A 66 2.753 13.833 -3.051 1.00 1.00 C ATOM 950 NE ARG A 66 2.663 15.074 -3.810 1.00 1.00 N ATOM 951 CZ ARG A 66 1.876 16.068 -3.413 1.00 1.00 C ATOM 952 NH1 ARG A 66 1.169 15.945 -2.324 1.00 1.00 N ATOM 953 NH2 ARG A 66 1.809 17.169 -4.113 1.00 1.00 N ATOM 0 H ARG A 66 4.630 13.402 -0.919 1.00 1.00 H new ATOM 0 HA ARG A 66 5.341 10.711 -1.237 1.00 1.00 H new ATOM 0 HB2 ARG A 66 4.072 10.965 -3.397 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.209 11.647 -2.033 1.00 1.00 H new ATOM 0 HG2 ARG A 66 4.912 13.734 -3.004 1.00 1.00 H new ATOM 0 HG3 ARG A 66 4.198 12.999 -4.426 1.00 1.00 H new ATOM 0 HD2 ARG A 66 1.918 13.181 -3.306 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.678 14.044 -1.984 1.00 1.00 H new ATOM 0 HE ARG A 66 3.214 15.181 -4.661 1.00 1.00 H new ATOM 0 HH11 ARG A 66 1.220 15.086 -1.777 1.00 1.00 H new ATOM 0 HH12 ARG A 66 0.565 16.708 -2.019 1.00 1.00 H new ATOM 0 HH21 ARG A 66 2.361 17.266 -4.965 1.00 1.00 H new ATOM 0 HH22 ARG A 66 1.204 17.932 -3.807 1.00 1.00 H new ATOM 967 N ASP A 67 7.129 12.823 -2.967 1.00 1.00 N ATOM 968 CA ASP A 67 8.291 12.942 -3.847 1.00 1.00 C ATOM 969 C ASP A 67 9.449 12.064 -3.372 1.00 1.00 C ATOM 970 O ASP A 67 10.057 11.344 -4.162 1.00 1.00 O ATOM 971 CB ASP A 67 8.743 14.403 -3.900 1.00 1.00 C ATOM 972 CG ASP A 67 8.360 15.111 -2.606 1.00 1.00 C ATOM 973 OD1 ASP A 67 8.281 14.435 -1.593 1.00 1.00 O ATOM 974 OD2 ASP A 67 8.165 16.314 -2.641 1.00 1.00 O ATOM 0 H ASP A 67 6.788 13.707 -2.590 1.00 1.00 H new ATOM 0 HA ASP A 67 7.999 12.603 -4.841 1.00 1.00 H new ATOM 0 HB2 ASP A 67 9.822 14.454 -4.047 1.00 1.00 H new ATOM 0 HB3 ASP A 67 8.281 14.905 -4.750 1.00 1.00 H new ATOM 979 N ARG A 68 9.751 12.121 -2.083 1.00 1.00 N ATOM 980 CA ARG A 68 10.839 11.316 -1.530 1.00 1.00 C ATOM 981 C ARG A 68 10.450 9.843 -1.464 1.00 1.00 C ATOM 982 O ARG A 68 11.283 8.958 -1.665 1.00 1.00 O ATOM 983 CB ARG A 68 11.212 11.796 -0.127 1.00 1.00 C ATOM 984 CG ARG A 68 10.827 13.265 0.060 1.00 1.00 C ATOM 985 CD ARG A 68 11.440 14.113 -1.054 1.00 1.00 C ATOM 986 NE ARG A 68 11.946 15.371 -0.512 1.00 1.00 N ATOM 987 CZ ARG A 68 12.349 16.349 -1.316 1.00 1.00 C ATOM 988 NH1 ARG A 68 12.287 16.197 -2.611 1.00 1.00 N ATOM 989 NH2 ARG A 68 12.807 17.463 -0.811 1.00 1.00 N ATOM 0 H ARG A 68 9.266 12.708 -1.404 1.00 1.00 H new ATOM 0 HA ARG A 68 11.697 11.431 -2.192 1.00 1.00 H new ATOM 0 HB2 ARG A 68 10.705 11.184 0.619 1.00 1.00 H new ATOM 0 HB3 ARG A 68 12.283 11.672 0.033 1.00 1.00 H new ATOM 0 HG2 ARG A 68 9.742 13.369 0.052 1.00 1.00 H new ATOM 0 HG3 ARG A 68 11.174 13.619 1.031 1.00 1.00 H new ATOM 0 HD2 ARG A 68 12.250 13.564 -1.535 1.00 1.00 H new ATOM 0 HD3 ARG A 68 10.692 14.314 -1.821 1.00 1.00 H new ATOM 0 HE ARG A 68 11.991 15.501 0.499 1.00 1.00 H new ATOM 0 HH11 ARG A 68 11.929 15.327 -3.006 1.00 1.00 H new ATOM 0 HH12 ARG A 68 12.596 16.948 -3.228 1.00 1.00 H new ATOM 0 HH21 ARG A 68 12.855 17.582 0.201 1.00 1.00 H new ATOM 0 HH22 ARG A 68 13.116 18.214 -1.428 1.00 1.00 H new ATOM 1003 N ALA A 69 9.184 9.593 -1.164 1.00 1.00 N ATOM 1004 CA ALA A 69 8.678 8.227 -1.047 1.00 1.00 C ATOM 1005 C ALA A 69 8.788 7.462 -2.364 1.00 1.00 C ATOM 1006 O ALA A 69 9.056 6.260 -2.370 1.00 1.00 O ATOM 1007 CB ALA A 69 7.214 8.260 -0.607 1.00 1.00 C ATOM 0 H ALA A 69 8.485 10.317 -0.996 1.00 1.00 H new ATOM 0 HA ALA A 69 9.288 7.711 -0.306 1.00 1.00 H new ATOM 0 HB1 ALA A 69 6.837 7.241 -0.520 1.00 1.00 H new ATOM 0 HB2 ALA A 69 7.135 8.760 0.359 1.00 1.00 H new ATOM 0 HB3 ALA A 69 6.624 8.803 -1.346 1.00 1.00 H new ATOM 1013 N GLN A 70 8.566 8.153 -3.476 1.00 1.00 N ATOM 1014 CA GLN A 70 8.631 7.507 -4.783 1.00 1.00 C ATOM 1015 C GLN A 70 10.072 7.163 -5.144 1.00 1.00 C ATOM 1016 O GLN A 70 10.333 6.150 -5.795 1.00 1.00 O ATOM 1017 CB GLN A 70 7.985 8.393 -5.860 1.00 1.00 C ATOM 1018 CG GLN A 70 9.013 9.346 -6.474 1.00 1.00 C ATOM 1019 CD GLN A 70 9.789 8.645 -7.586 1.00 1.00 C ATOM 1020 OE1 GLN A 70 9.569 7.464 -7.853 1.00 1.00 O ATOM 1021 NE2 GLN A 70 10.692 9.310 -8.254 1.00 1.00 N ATOM 0 H GLN A 70 8.342 9.148 -3.501 1.00 1.00 H new ATOM 0 HA GLN A 70 8.067 6.575 -4.734 1.00 1.00 H new ATOM 0 HB2 GLN A 70 7.553 7.767 -6.640 1.00 1.00 H new ATOM 0 HB3 GLN A 70 7.168 8.966 -5.422 1.00 1.00 H new ATOM 0 HG2 GLN A 70 8.510 10.227 -6.872 1.00 1.00 H new ATOM 0 HG3 GLN A 70 9.702 9.693 -5.704 1.00 1.00 H new ATOM 0 HE21 GLN A 70 10.873 10.289 -8.031 1.00 1.00 H new ATOM 0 HE22 GLN A 70 11.217 8.851 -8.999 1.00 1.00 H new ATOM 1030 N ALA A 71 11.010 8.003 -4.716 1.00 1.00 N ATOM 1031 CA ALA A 71 12.417 7.762 -5.000 1.00 1.00 C ATOM 1032 C ALA A 71 12.877 6.469 -4.326 1.00 1.00 C ATOM 1033 O ALA A 71 13.673 5.716 -4.887 1.00 1.00 O ATOM 1034 CB ALA A 71 13.260 8.938 -4.509 1.00 1.00 C ATOM 0 H ALA A 71 10.822 8.848 -4.177 1.00 1.00 H new ATOM 0 HA ALA A 71 12.545 7.661 -6.078 1.00 1.00 H new ATOM 0 HB1 ALA A 71 14.311 8.748 -4.726 1.00 1.00 H new ATOM 0 HB2 ALA A 71 12.944 9.849 -5.016 1.00 1.00 H new ATOM 0 HB3 ALA A 71 13.127 9.057 -3.434 1.00 1.00 H new ATOM 1040 N VAL A 72 12.358 6.210 -3.127 1.00 1.00 N ATOM 1041 CA VAL A 72 12.714 4.995 -2.396 1.00 1.00 C ATOM 1042 C VAL A 72 12.228 3.770 -3.161 1.00 1.00 C ATOM 1043 O VAL A 72 12.963 2.802 -3.349 1.00 1.00 O ATOM 1044 CB VAL A 72 12.078 5.002 -1.005 1.00 1.00 C ATOM 1045 CG1 VAL A 72 12.658 3.857 -0.175 1.00 1.00 C ATOM 1046 CG2 VAL A 72 12.375 6.332 -0.311 1.00 1.00 C ATOM 0 H VAL A 72 11.696 6.818 -2.645 1.00 1.00 H new ATOM 0 HA VAL A 72 13.799 4.960 -2.293 1.00 1.00 H new ATOM 0 HB VAL A 72 11.000 4.876 -1.100 1.00 1.00 H new ATOM 0 HG11 VAL A 72 12.206 3.861 0.817 1.00 1.00 H new ATOM 0 HG12 VAL A 72 12.446 2.908 -0.667 1.00 1.00 H new ATOM 0 HG13 VAL A 72 13.736 3.985 -0.082 1.00 1.00 H new ATOM 0 HG21 VAL A 72 11.921 6.335 0.680 1.00 1.00 H new ATOM 0 HG22 VAL A 72 13.453 6.460 -0.216 1.00 1.00 H new ATOM 0 HG23 VAL A 72 11.963 7.150 -0.901 1.00 1.00 H new ATOM 1056 N GLU A 73 10.981 3.830 -3.599 1.00 1.00 N ATOM 1057 CA GLU A 73 10.389 2.729 -4.351 1.00 1.00 C ATOM 1058 C GLU A 73 11.225 2.421 -5.591 1.00 1.00 C ATOM 1059 O GLU A 73 11.330 1.268 -6.013 1.00 1.00 O ATOM 1060 CB GLU A 73 8.963 3.091 -4.772 1.00 1.00 C ATOM 1061 CG GLU A 73 7.967 2.463 -3.795 1.00 1.00 C ATOM 1062 CD GLU A 73 7.837 0.970 -4.074 1.00 1.00 C ATOM 1063 OE1 GLU A 73 8.621 0.214 -3.524 1.00 1.00 O ATOM 1064 OE2 GLU A 73 6.955 0.603 -4.834 1.00 1.00 O ATOM 0 H GLU A 73 10.359 4.624 -3.449 1.00 1.00 H new ATOM 0 HA GLU A 73 10.365 1.846 -3.712 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.841 4.174 -4.786 1.00 1.00 H new ATOM 0 HB3 GLU A 73 8.770 2.735 -5.784 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.301 2.622 -2.770 1.00 1.00 H new ATOM 0 HG3 GLU A 73 6.995 2.946 -3.893 1.00 1.00 H new ATOM 1071 N THR A 74 11.811 3.462 -6.174 1.00 1.00 N ATOM 1072 CA THR A 74 12.631 3.299 -7.371 1.00 1.00 C ATOM 1073 C THR A 74 13.982 2.680 -7.024 1.00 1.00 C ATOM 1074 O THR A 74 14.585 1.985 -7.843 1.00 1.00 O ATOM 1075 CB THR A 74 12.849 4.657 -8.042 1.00 1.00 C ATOM 1076 OG1 THR A 74 11.592 5.203 -8.418 1.00 1.00 O ATOM 1077 CG2 THR A 74 13.721 4.478 -9.286 1.00 1.00 C ATOM 0 H THR A 74 11.735 4.423 -5.840 1.00 1.00 H new ATOM 0 HA THR A 74 12.107 2.632 -8.055 1.00 1.00 H new ATOM 0 HB THR A 74 13.347 5.332 -7.346 1.00 1.00 H new ATOM 0 HG1 THR A 74 11.125 5.529 -7.620 1.00 1.00 H new ATOM 0 HG21 THR A 74 13.876 5.445 -9.764 1.00 1.00 H new ATOM 0 HG22 THR A 74 14.684 4.057 -8.998 1.00 1.00 H new ATOM 0 HG23 THR A 74 13.225 3.804 -9.984 1.00 1.00 H new ATOM 1085 N TYR A 75 14.455 2.938 -5.811 1.00 1.00 N ATOM 1086 CA TYR A 75 15.739 2.402 -5.371 1.00 1.00 C ATOM 1087 C TYR A 75 15.708 0.876 -5.360 1.00 1.00 C ATOM 1088 O TYR A 75 16.612 0.222 -5.881 1.00 1.00 O ATOM 1089 CB TYR A 75 16.058 2.921 -3.968 1.00 1.00 C ATOM 1090 CG TYR A 75 17.373 2.349 -3.500 1.00 1.00 C ATOM 1091 CD1 TYR A 75 17.423 1.057 -2.964 1.00 1.00 C ATOM 1092 CD2 TYR A 75 18.541 3.113 -3.597 1.00 1.00 C ATOM 1093 CE1 TYR A 75 18.642 0.528 -2.525 1.00 1.00 C ATOM 1094 CE2 TYR A 75 19.762 2.584 -3.160 1.00 1.00 C ATOM 1095 CZ TYR A 75 19.813 1.291 -2.624 1.00 1.00 C ATOM 1096 OH TYR A 75 21.014 0.770 -2.192 1.00 1.00 O ATOM 0 H TYR A 75 13.973 3.511 -5.118 1.00 1.00 H new ATOM 0 HA TYR A 75 16.511 2.729 -6.067 1.00 1.00 H new ATOM 0 HB2 TYR A 75 16.106 4.010 -3.975 1.00 1.00 H new ATOM 0 HB3 TYR A 75 15.263 2.642 -3.277 1.00 1.00 H new ATOM 0 HD1 TYR A 75 16.521 0.468 -2.889 1.00 1.00 H new ATOM 0 HD2 TYR A 75 18.501 4.111 -4.009 1.00 1.00 H new ATOM 0 HE1 TYR A 75 18.680 -0.468 -2.110 1.00 1.00 H new ATOM 0 HE2 TYR A 75 20.664 3.173 -3.236 1.00 1.00 H new ATOM 0 HH TYR A 75 21.726 1.429 -2.333 1.00 1.00 H new ATOM 1106 N LEU A 76 14.661 0.318 -4.764 1.00 1.00 N ATOM 1107 CA LEU A 76 14.514 -1.133 -4.683 1.00 1.00 C ATOM 1108 C LEU A 76 14.244 -1.738 -6.058 1.00 1.00 C ATOM 1109 O LEU A 76 14.805 -2.777 -6.407 1.00 1.00 O ATOM 1110 CB LEU A 76 13.350 -1.481 -3.753 1.00 1.00 C ATOM 1111 CG LEU A 76 13.479 -2.935 -3.275 1.00 1.00 C ATOM 1112 CD1 LEU A 76 14.681 -3.085 -2.335 1.00 1.00 C ATOM 1113 CD2 LEU A 76 12.204 -3.348 -2.530 1.00 1.00 C ATOM 0 H LEU A 76 13.903 0.845 -4.331 1.00 1.00 H new ATOM 0 HA LEU A 76 15.446 -1.544 -4.295 1.00 1.00 H new ATOM 0 HB2 LEU A 76 13.343 -0.807 -2.897 1.00 1.00 H new ATOM 0 HB3 LEU A 76 12.403 -1.343 -4.274 1.00 1.00 H new ATOM 0 HG LEU A 76 13.624 -3.575 -4.145 1.00 1.00 H new ATOM 0 HD11 LEU A 76 14.758 -4.121 -2.005 1.00 1.00 H new ATOM 0 HD12 LEU A 76 15.592 -2.803 -2.862 1.00 1.00 H new ATOM 0 HD13 LEU A 76 14.548 -2.438 -1.468 1.00 1.00 H new ATOM 0 HD21 LEU A 76 12.298 -4.380 -2.192 1.00 1.00 H new ATOM 0 HD22 LEU A 76 12.058 -2.696 -1.669 1.00 1.00 H new ATOM 0 HD23 LEU A 76 11.348 -3.262 -3.199 1.00 1.00 H new ATOM 1125 N LYS A 77 13.374 -1.094 -6.828 1.00 1.00 N ATOM 1126 CA LYS A 77 13.032 -1.586 -8.150 1.00 1.00 C ATOM 1127 C LYS A 77 14.284 -1.699 -9.013 1.00 1.00 C ATOM 1128 O LYS A 77 14.461 -2.675 -9.743 1.00 1.00 O ATOM 1129 CB LYS A 77 11.999 -0.641 -8.788 1.00 1.00 C ATOM 1130 CG LYS A 77 12.289 -0.441 -10.278 1.00 1.00 C ATOM 1131 CD LYS A 77 11.095 0.254 -10.943 1.00 1.00 C ATOM 1132 CE LYS A 77 10.953 1.679 -10.405 1.00 1.00 C ATOM 1133 NZ LYS A 77 10.096 2.474 -11.331 1.00 1.00 N ATOM 0 H LYS A 77 12.896 -0.234 -6.558 1.00 1.00 H new ATOM 0 HA LYS A 77 12.596 -2.582 -8.071 1.00 1.00 H new ATOM 0 HB2 LYS A 77 10.997 -1.051 -8.660 1.00 1.00 H new ATOM 0 HB3 LYS A 77 12.017 0.322 -8.277 1.00 1.00 H new ATOM 0 HG2 LYS A 77 13.190 0.159 -10.407 1.00 1.00 H new ATOM 0 HG3 LYS A 77 12.475 -1.403 -10.755 1.00 1.00 H new ATOM 0 HD2 LYS A 77 11.233 0.277 -12.024 1.00 1.00 H new ATOM 0 HD3 LYS A 77 10.182 -0.309 -10.750 1.00 1.00 H new ATOM 0 HE2 LYS A 77 10.512 1.661 -9.408 1.00 1.00 H new ATOM 0 HE3 LYS A 77 11.935 2.144 -10.311 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 9.998 3.443 -10.967 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 10.535 2.501 -12.273 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 9.156 2.033 -11.399 1.00 1.00 H new ATOM 1147 N LYS A 78 15.155 -0.699 -8.923 1.00 1.00 N ATOM 1148 CA LYS A 78 16.386 -0.707 -9.701 1.00 1.00 C ATOM 1149 C LYS A 78 17.326 -1.802 -9.201 1.00 1.00 C ATOM 1150 O LYS A 78 17.994 -2.465 -9.990 1.00 1.00 O ATOM 1151 CB LYS A 78 17.082 0.651 -9.594 1.00 1.00 C ATOM 1152 CG LYS A 78 17.892 0.909 -10.866 1.00 1.00 C ATOM 1153 CD LYS A 78 18.984 1.941 -10.574 1.00 1.00 C ATOM 1154 CE LYS A 78 18.343 3.232 -10.063 1.00 1.00 C ATOM 1155 NZ LYS A 78 18.280 3.200 -8.576 1.00 1.00 N ATOM 0 H LYS A 78 15.033 0.119 -8.325 1.00 1.00 H new ATOM 0 HA LYS A 78 16.134 -0.904 -10.743 1.00 1.00 H new ATOM 0 HB2 LYS A 78 16.344 1.440 -9.454 1.00 1.00 H new ATOM 0 HB3 LYS A 78 17.737 0.669 -8.723 1.00 1.00 H new ATOM 0 HG2 LYS A 78 18.340 -0.020 -11.220 1.00 1.00 H new ATOM 0 HG3 LYS A 78 17.238 1.270 -11.660 1.00 1.00 H new ATOM 0 HD2 LYS A 78 19.680 1.550 -9.832 1.00 1.00 H new ATOM 0 HD3 LYS A 78 19.560 2.141 -11.477 1.00 1.00 H new ATOM 0 HE2 LYS A 78 18.922 4.094 -10.395 1.00 1.00 H new ATOM 0 HE3 LYS A 78 17.341 3.342 -10.478 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 18.560 4.127 -8.197 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 17.309 2.982 -8.274 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 18.927 2.469 -8.217 1.00 1.00 H new ATOM 1169 N LEU A 79 17.367 -1.982 -7.885 1.00 1.00 N ATOM 1170 CA LEU A 79 18.229 -2.997 -7.285 1.00 1.00 C ATOM 1171 C LEU A 79 17.733 -4.400 -7.626 1.00 1.00 C ATOM 1172 O LEU A 79 18.513 -5.260 -8.033 1.00 1.00 O ATOM 1173 CB LEU A 79 18.245 -2.818 -5.762 1.00 1.00 C ATOM 1174 CG LEU A 79 19.531 -2.103 -5.327 1.00 1.00 C ATOM 1175 CD1 LEU A 79 20.743 -3.010 -5.561 1.00 1.00 C ATOM 1176 CD2 LEU A 79 19.699 -0.814 -6.137 1.00 1.00 C ATOM 0 H LEU A 79 16.818 -1.443 -7.216 1.00 1.00 H new ATOM 0 HA LEU A 79 19.236 -2.878 -7.685 1.00 1.00 H new ATOM 0 HB2 LEU A 79 17.375 -2.242 -5.447 1.00 1.00 H new ATOM 0 HB3 LEU A 79 18.177 -3.790 -5.273 1.00 1.00 H new ATOM 0 HG LEU A 79 19.462 -1.865 -4.266 1.00 1.00 H new ATOM 0 HD11 LEU A 79 21.650 -2.493 -5.249 1.00 1.00 H new ATOM 0 HD12 LEU A 79 20.630 -3.926 -4.981 1.00 1.00 H new ATOM 0 HD13 LEU A 79 20.813 -3.258 -6.620 1.00 1.00 H new ATOM 0 HD21 LEU A 79 20.613 -0.306 -5.828 1.00 1.00 H new ATOM 0 HD22 LEU A 79 19.760 -1.056 -7.198 1.00 1.00 H new ATOM 0 HD23 LEU A 79 18.844 -0.161 -5.963 1.00 1.00 H new ATOM 1188 N ILE A 80 16.432 -4.626 -7.459 1.00 1.00 N ATOM 1189 CA ILE A 80 15.856 -5.932 -7.758 1.00 1.00 C ATOM 1190 C ILE A 80 15.878 -6.198 -9.260 1.00 1.00 C ATOM 1191 O ILE A 80 16.224 -7.292 -9.702 1.00 1.00 O ATOM 1192 CB ILE A 80 14.417 -6.014 -7.245 1.00 1.00 C ATOM 1193 CG1 ILE A 80 14.426 -6.084 -5.714 1.00 1.00 C ATOM 1194 CG2 ILE A 80 13.751 -7.271 -7.813 1.00 1.00 C ATOM 1195 CD1 ILE A 80 12.998 -5.935 -5.179 1.00 1.00 C ATOM 0 H ILE A 80 15.765 -3.931 -7.123 1.00 1.00 H new ATOM 0 HA ILE A 80 16.458 -6.689 -7.255 1.00 1.00 H new ATOM 0 HB ILE A 80 13.862 -5.132 -7.563 1.00 1.00 H new ATOM 0 HG12 ILE A 80 14.849 -7.034 -5.387 1.00 1.00 H new ATOM 0 HG13 ILE A 80 15.060 -5.296 -5.309 1.00 1.00 H new ATOM 0 HG21 ILE A 80 12.725 -7.335 -7.451 1.00 1.00 H new ATOM 0 HG22 ILE A 80 13.749 -7.221 -8.902 1.00 1.00 H new ATOM 0 HG23 ILE A 80 14.305 -8.153 -7.491 1.00 1.00 H new ATOM 0 HD11 ILE A 80 13.010 -5.986 -4.090 1.00 1.00 H new ATOM 0 HD12 ILE A 80 12.590 -4.974 -5.493 1.00 1.00 H new ATOM 0 HD13 ILE A 80 12.376 -6.739 -5.573 1.00 1.00 H new ATOM 1207 N ALA A 81 15.503 -5.188 -10.036 1.00 1.00 N ATOM 1208 CA ALA A 81 15.476 -5.321 -11.488 1.00 1.00 C ATOM 1209 C ALA A 81 16.885 -5.500 -12.042 1.00 1.00 C ATOM 1210 O ALA A 81 17.068 -6.070 -13.118 1.00 1.00 O ATOM 1211 CB ALA A 81 14.834 -4.081 -12.113 1.00 1.00 C ATOM 0 H ALA A 81 15.215 -4.274 -9.687 1.00 1.00 H new ATOM 0 HA ALA A 81 14.888 -6.203 -11.740 1.00 1.00 H new ATOM 0 HB1 ALA A 81 14.817 -4.187 -13.198 1.00 1.00 H new ATOM 0 HB2 ALA A 81 13.814 -3.974 -11.743 1.00 1.00 H new ATOM 0 HB3 ALA A 81 15.412 -3.197 -11.844 1.00 1.00 H new ATOM 1217 N THR A 82 17.879 -5.010 -11.307 1.00 1.00 N ATOM 1218 CA THR A 82 19.264 -5.127 -11.749 1.00 1.00 C ATOM 1219 C THR A 82 19.799 -6.529 -11.470 1.00 1.00 C ATOM 1220 O THR A 82 19.838 -7.370 -12.366 1.00 1.00 O ATOM 1221 CB THR A 82 20.133 -4.086 -11.040 1.00 1.00 C ATOM 1222 OG1 THR A 82 19.757 -4.005 -9.672 1.00 1.00 O ATOM 1223 CG2 THR A 82 19.946 -2.722 -11.708 1.00 1.00 C ATOM 0 H THR A 82 17.754 -4.534 -10.414 1.00 1.00 H new ATOM 0 HA THR A 82 19.299 -4.948 -12.824 1.00 1.00 H new ATOM 0 HB THR A 82 21.180 -4.380 -11.109 1.00 1.00 H new ATOM 0 HG1 THR A 82 19.259 -3.175 -9.518 1.00 1.00 H new ATOM 0 HG21 THR A 82 20.565 -1.981 -11.202 1.00 1.00 H new ATOM 0 HG22 THR A 82 20.240 -2.787 -12.756 1.00 1.00 H new ATOM 0 HG23 THR A 82 18.899 -2.425 -11.643 1.00 1.00 H new ATOM 1231 N ASN A 83 20.210 -6.775 -10.226 1.00 1.00 N ATOM 1232 CA ASN A 83 20.742 -8.086 -9.853 1.00 1.00 C ATOM 1233 C ASN A 83 21.366 -8.045 -8.459 1.00 1.00 C ATOM 1234 O ASN A 83 21.469 -9.070 -7.785 1.00 1.00 O ATOM 1235 CB ASN A 83 21.815 -8.517 -10.861 1.00 1.00 C ATOM 1236 CG ASN A 83 22.565 -7.287 -11.361 1.00 1.00 C ATOM 1237 OD1 ASN A 83 23.147 -7.305 -12.445 1.00 1.00 O ATOM 1238 ND2 ASN A 83 22.592 -6.213 -10.620 1.00 1.00 N ATOM 0 H ASN A 83 20.186 -6.093 -9.468 1.00 1.00 H new ATOM 0 HA ASN A 83 19.917 -8.798 -9.853 1.00 1.00 H new ATOM 0 HB2 ASN A 83 22.510 -9.215 -10.393 1.00 1.00 H new ATOM 0 HB3 ASN A 83 21.353 -9.040 -11.698 1.00 1.00 H new ATOM 0 HD21 ASN A 83 23.096 -5.386 -10.939 1.00 1.00 H new ATOM 0 HD22 ASN A 83 22.109 -6.201 -9.722 1.00 1.00 H new ATOM 1245 N ASN A 84 21.794 -6.859 -8.043 1.00 1.00 N ATOM 1246 CA ASN A 84 22.423 -6.697 -6.736 1.00 1.00 C ATOM 1247 C ASN A 84 21.466 -7.086 -5.617 1.00 1.00 C ATOM 1248 O ASN A 84 21.893 -7.593 -4.579 1.00 1.00 O ATOM 1249 CB ASN A 84 22.869 -5.247 -6.557 1.00 1.00 C ATOM 1250 CG ASN A 84 24.312 -5.087 -7.013 1.00 1.00 C ATOM 1251 OD1 ASN A 84 25.141 -4.542 -6.284 1.00 1.00 O ATOM 1252 ND2 ASN A 84 24.666 -5.534 -8.187 1.00 1.00 N ATOM 0 H ASN A 84 21.718 -6.000 -8.587 1.00 1.00 H new ATOM 0 HA ASN A 84 23.290 -7.356 -6.687 1.00 1.00 H new ATOM 0 HB2 ASN A 84 22.222 -4.585 -7.132 1.00 1.00 H new ATOM 0 HB3 ASN A 84 22.775 -4.955 -5.511 1.00 1.00 H new ATOM 0 HD21 ASN A 84 25.631 -5.432 -8.502 1.00 1.00 H new ATOM 0 HD22 ASN A 84 23.978 -5.985 -8.790 1.00 1.00 H new ATOM 1259 N VAL A 85 20.175 -6.850 -5.847 1.00 1.00 N ATOM 1260 CA VAL A 85 19.141 -7.179 -4.863 1.00 1.00 C ATOM 1261 C VAL A 85 19.676 -7.032 -3.441 1.00 1.00 C ATOM 1262 O VAL A 85 19.905 -8.027 -2.751 1.00 1.00 O ATOM 1263 CB VAL A 85 18.646 -8.612 -5.075 1.00 1.00 C ATOM 1264 CG1 VAL A 85 17.428 -8.868 -4.185 1.00 1.00 C ATOM 1265 CG2 VAL A 85 18.252 -8.811 -6.541 1.00 1.00 C ATOM 0 H VAL A 85 19.819 -6.432 -6.706 1.00 1.00 H new ATOM 0 HA VAL A 85 18.313 -6.484 -5.000 1.00 1.00 H new ATOM 0 HB VAL A 85 19.443 -9.309 -4.816 1.00 1.00 H new ATOM 0 HG11 VAL A 85 17.075 -9.888 -4.336 1.00 1.00 H new ATOM 0 HG12 VAL A 85 17.706 -8.731 -3.140 1.00 1.00 H new ATOM 0 HG13 VAL A 85 16.634 -8.168 -4.444 1.00 1.00 H new ATOM 0 HG21 VAL A 85 17.900 -9.832 -6.688 1.00 1.00 H new ATOM 0 HG22 VAL A 85 17.457 -8.112 -6.802 1.00 1.00 H new ATOM 0 HG23 VAL A 85 19.118 -8.630 -7.178 1.00 1.00 H new ATOM 1275 N THR A 86 19.884 -5.792 -3.015 1.00 1.00 N ATOM 1276 CA THR A 86 20.403 -5.531 -1.678 1.00 1.00 C ATOM 1277 C THR A 86 19.769 -6.472 -0.659 1.00 1.00 C ATOM 1278 O THR A 86 20.464 -7.259 -0.018 1.00 1.00 O ATOM 1279 CB THR A 86 20.124 -4.079 -1.284 1.00 1.00 C ATOM 1280 OG1 THR A 86 19.090 -3.558 -2.107 1.00 1.00 O ATOM 1281 CG2 THR A 86 21.394 -3.246 -1.465 1.00 1.00 C ATOM 0 H THR A 86 19.703 -4.957 -3.571 1.00 1.00 H new ATOM 0 HA THR A 86 21.479 -5.703 -1.688 1.00 1.00 H new ATOM 0 HB THR A 86 19.813 -4.038 -0.240 1.00 1.00 H new ATOM 0 HG1 THR A 86 18.908 -2.628 -1.855 1.00 1.00 H new ATOM 0 HG21 THR A 86 21.194 -2.212 -1.184 1.00 1.00 H new ATOM 0 HG22 THR A 86 22.186 -3.647 -0.832 1.00 1.00 H new ATOM 0 HG23 THR A 86 21.709 -3.284 -2.508 1.00 1.00 H new ATOM 1289 N HIS A 87 18.449 -6.386 -0.519 1.00 1.00 N ATOM 1290 CA HIS A 87 17.725 -7.236 0.426 1.00 1.00 C ATOM 1291 C HIS A 87 16.293 -6.742 0.599 1.00 1.00 C ATOM 1292 O HIS A 87 15.874 -5.780 -0.046 1.00 1.00 O ATOM 1293 CB HIS A 87 18.424 -7.236 1.789 1.00 1.00 C ATOM 1294 CG HIS A 87 19.020 -5.879 2.048 1.00 1.00 C ATOM 1295 ND1 HIS A 87 20.339 -5.713 2.439 1.00 1.00 N ATOM 1296 CD2 HIS A 87 18.487 -4.615 1.981 1.00 1.00 C ATOM 1297 CE1 HIS A 87 20.555 -4.393 2.589 1.00 1.00 C ATOM 1298 NE2 HIS A 87 19.458 -3.678 2.323 1.00 1.00 N ATOM 0 H HIS A 87 17.860 -5.740 -1.044 1.00 1.00 H new ATOM 0 HA HIS A 87 17.711 -8.250 0.026 1.00 1.00 H new ATOM 0 HB2 HIS A 87 17.712 -7.488 2.575 1.00 1.00 H new ATOM 0 HB3 HIS A 87 19.204 -7.997 1.810 1.00 1.00 H new ATOM 0 HD2 HIS A 87 17.469 -4.383 1.705 1.00 1.00 H new ATOM 0 HE1 HIS A 87 21.500 -3.964 2.888 1.00 1.00 H new ATOM 0 HE2 HIS A 87 19.354 -2.664 2.362 1.00 1.00 H new ATOM 1306 N LYS A 88 15.549 -7.401 1.483 1.00 1.00 N ATOM 1307 CA LYS A 88 14.168 -7.015 1.742 1.00 1.00 C ATOM 1308 C LYS A 88 14.125 -5.688 2.492 1.00 1.00 C ATOM 1309 O LYS A 88 14.472 -5.619 3.671 1.00 1.00 O ATOM 1310 CB LYS A 88 13.474 -8.096 2.573 1.00 1.00 C ATOM 1311 CG LYS A 88 13.590 -9.444 1.858 1.00 1.00 C ATOM 1312 CD LYS A 88 14.587 -10.334 2.603 1.00 1.00 C ATOM 1313 CE LYS A 88 13.969 -10.805 3.923 1.00 1.00 C ATOM 1314 NZ LYS A 88 13.667 -12.262 3.837 1.00 1.00 N ATOM 0 H LYS A 88 15.877 -8.199 2.028 1.00 1.00 H new ATOM 0 HA LYS A 88 13.650 -6.903 0.789 1.00 1.00 H new ATOM 0 HB2 LYS A 88 13.928 -8.157 3.562 1.00 1.00 H new ATOM 0 HB3 LYS A 88 12.425 -7.839 2.719 1.00 1.00 H new ATOM 0 HG2 LYS A 88 12.615 -9.929 1.815 1.00 1.00 H new ATOM 0 HG3 LYS A 88 13.918 -9.295 0.829 1.00 1.00 H new ATOM 0 HD2 LYS A 88 14.853 -11.193 1.988 1.00 1.00 H new ATOM 0 HD3 LYS A 88 15.507 -9.783 2.797 1.00 1.00 H new ATOM 0 HE2 LYS A 88 14.656 -10.613 4.748 1.00 1.00 H new ATOM 0 HE3 LYS A 88 13.057 -10.245 4.130 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 13.247 -12.583 4.733 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 12.997 -12.432 3.060 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 14.546 -12.789 3.658 1.00 1.00 H new ATOM 1328 N ILE A 89 13.708 -4.634 1.800 1.00 1.00 N ATOM 1329 CA ILE A 89 13.636 -3.313 2.411 1.00 1.00 C ATOM 1330 C ILE A 89 13.064 -3.406 3.822 1.00 1.00 C ATOM 1331 O ILE A 89 12.238 -4.269 4.118 1.00 1.00 O ATOM 1332 CB ILE A 89 12.783 -2.373 1.535 1.00 1.00 C ATOM 1333 CG1 ILE A 89 13.722 -1.421 0.782 1.00 1.00 C ATOM 1334 CG2 ILE A 89 11.803 -1.553 2.396 1.00 1.00 C ATOM 1335 CD1 ILE A 89 12.919 -0.545 -0.180 1.00 1.00 C ATOM 0 H ILE A 89 13.417 -4.668 0.823 1.00 1.00 H new ATOM 0 HA ILE A 89 14.643 -2.903 2.482 1.00 1.00 H new ATOM 0 HB ILE A 89 12.200 -2.971 0.834 1.00 1.00 H new ATOM 0 HG12 ILE A 89 14.263 -0.795 1.491 1.00 1.00 H new ATOM 0 HG13 ILE A 89 14.467 -1.994 0.229 1.00 1.00 H new ATOM 0 HG21 ILE A 89 11.214 -0.899 1.753 1.00 1.00 H new ATOM 0 HG22 ILE A 89 11.138 -2.229 2.933 1.00 1.00 H new ATOM 0 HG23 ILE A 89 12.363 -0.951 3.111 1.00 1.00 H new ATOM 0 HD11 ILE A 89 13.594 0.127 -0.710 1.00 1.00 H new ATOM 0 HD12 ILE A 89 12.398 -1.177 -0.899 1.00 1.00 H new ATOM 0 HD13 ILE A 89 12.191 0.040 0.382 1.00 1.00 H new ATOM 1347 N THR A 90 13.503 -2.493 4.682 1.00 1.00 N ATOM 1348 CA THR A 90 13.032 -2.451 6.058 1.00 1.00 C ATOM 1349 C THR A 90 12.803 -1.002 6.480 1.00 1.00 C ATOM 1350 O THR A 90 13.071 -0.075 5.715 1.00 1.00 O ATOM 1351 CB THR A 90 14.058 -3.103 6.988 1.00 1.00 C ATOM 1352 OG1 THR A 90 15.210 -2.276 7.072 1.00 1.00 O ATOM 1353 CG2 THR A 90 14.450 -4.474 6.434 1.00 1.00 C ATOM 0 H THR A 90 14.185 -1.772 4.448 1.00 1.00 H new ATOM 0 HA THR A 90 12.093 -3.001 6.127 1.00 1.00 H new ATOM 0 HB THR A 90 13.625 -3.225 7.981 1.00 1.00 H new ATOM 0 HG1 THR A 90 15.868 -2.691 7.668 1.00 1.00 H new ATOM 0 HG21 THR A 90 15.181 -4.939 7.096 1.00 1.00 H new ATOM 0 HG22 THR A 90 13.565 -5.107 6.369 1.00 1.00 H new ATOM 0 HG23 THR A 90 14.884 -4.355 5.441 1.00 1.00 H new ATOM 1361 N GLU A 91 12.314 -0.810 7.699 1.00 1.00 N ATOM 1362 CA GLU A 91 12.064 0.533 8.207 1.00 1.00 C ATOM 1363 C GLU A 91 13.353 1.344 8.204 1.00 1.00 C ATOM 1364 O GLU A 91 13.336 2.566 8.063 1.00 1.00 O ATOM 1365 CB GLU A 91 11.507 0.460 9.630 1.00 1.00 C ATOM 1366 CG GLU A 91 12.564 -0.139 10.559 1.00 1.00 C ATOM 1367 CD GLU A 91 11.888 -0.864 11.718 1.00 1.00 C ATOM 1368 OE1 GLU A 91 11.353 -1.937 11.489 1.00 1.00 O ATOM 1369 OE2 GLU A 91 11.916 -0.339 12.819 1.00 1.00 O ATOM 0 H GLU A 91 12.084 -1.561 8.350 1.00 1.00 H new ATOM 0 HA GLU A 91 11.334 1.020 7.560 1.00 1.00 H new ATOM 0 HB2 GLU A 91 11.227 1.456 9.974 1.00 1.00 H new ATOM 0 HB3 GLU A 91 10.604 -0.150 9.648 1.00 1.00 H new ATOM 0 HG2 GLU A 91 13.197 -0.832 10.005 1.00 1.00 H new ATOM 0 HG3 GLU A 91 13.213 0.649 10.941 1.00 1.00 H new ATOM 1376 N ALA A 92 14.468 0.643 8.366 1.00 1.00 N ATOM 1377 CA ALA A 92 15.778 1.287 8.393 1.00 1.00 C ATOM 1378 C ALA A 92 16.261 1.580 6.979 1.00 1.00 C ATOM 1379 O ALA A 92 16.970 2.557 6.743 1.00 1.00 O ATOM 1380 CB ALA A 92 16.789 0.383 9.100 1.00 1.00 C ATOM 0 H ALA A 92 14.493 -0.370 8.481 1.00 1.00 H new ATOM 0 HA ALA A 92 15.687 2.228 8.936 1.00 1.00 H new ATOM 0 HB1 ALA A 92 17.764 0.870 9.116 1.00 1.00 H new ATOM 0 HB2 ALA A 92 16.459 0.198 10.122 1.00 1.00 H new ATOM 0 HB3 ALA A 92 16.866 -0.564 8.566 1.00 1.00 H new ATOM 1386 N GLU A 93 15.881 0.724 6.040 1.00 1.00 N ATOM 1387 CA GLU A 93 16.289 0.902 4.655 1.00 1.00 C ATOM 1388 C GLU A 93 15.500 2.036 4.002 1.00 1.00 C ATOM 1389 O GLU A 93 16.069 2.874 3.304 1.00 1.00 O ATOM 1390 CB GLU A 93 16.064 -0.393 3.882 1.00 1.00 C ATOM 1391 CG GLU A 93 16.894 -0.370 2.598 1.00 1.00 C ATOM 1392 CD GLU A 93 18.355 -0.672 2.917 1.00 1.00 C ATOM 1393 OE1 GLU A 93 18.594 -1.555 3.726 1.00 1.00 O ATOM 1394 OE2 GLU A 93 19.212 -0.019 2.347 1.00 1.00 O ATOM 0 H GLU A 93 15.296 -0.094 6.211 1.00 1.00 H new ATOM 0 HA GLU A 93 17.348 1.159 4.635 1.00 1.00 H new ATOM 0 HB2 GLU A 93 16.346 -1.249 4.495 1.00 1.00 H new ATOM 0 HB3 GLU A 93 15.007 -0.507 3.643 1.00 1.00 H new ATOM 0 HG2 GLU A 93 16.508 -1.105 1.892 1.00 1.00 H new ATOM 0 HG3 GLU A 93 16.812 0.606 2.119 1.00 1.00 H new ATOM 1401 N ILE A 94 14.188 2.055 4.227 1.00 1.00 N ATOM 1402 CA ILE A 94 13.339 3.092 3.645 1.00 1.00 C ATOM 1403 C ILE A 94 13.732 4.463 4.180 1.00 1.00 C ATOM 1404 O ILE A 94 13.877 5.420 3.418 1.00 1.00 O ATOM 1405 CB ILE A 94 11.871 2.813 3.984 1.00 1.00 C ATOM 1406 CG1 ILE A 94 11.281 1.853 2.949 1.00 1.00 C ATOM 1407 CG2 ILE A 94 11.071 4.119 3.974 1.00 1.00 C ATOM 1408 CD1 ILE A 94 10.200 0.996 3.609 1.00 1.00 C ATOM 0 H ILE A 94 13.694 1.372 4.802 1.00 1.00 H new ATOM 0 HA ILE A 94 13.472 3.083 2.563 1.00 1.00 H new ATOM 0 HB ILE A 94 11.816 2.366 4.977 1.00 1.00 H new ATOM 0 HG12 ILE A 94 10.857 2.414 2.116 1.00 1.00 H new ATOM 0 HG13 ILE A 94 12.065 1.217 2.539 1.00 1.00 H new ATOM 0 HG21 ILE A 94 10.029 3.909 4.216 1.00 1.00 H new ATOM 0 HG22 ILE A 94 11.485 4.805 4.714 1.00 1.00 H new ATOM 0 HG23 ILE A 94 11.129 4.574 2.985 1.00 1.00 H new ATOM 0 HD11 ILE A 94 9.779 0.311 2.873 1.00 1.00 H new ATOM 0 HD12 ILE A 94 10.638 0.424 4.427 1.00 1.00 H new ATOM 0 HD13 ILE A 94 9.412 1.641 3.998 1.00 1.00 H new ATOM 1420 N VAL A 95 13.910 4.549 5.490 1.00 1.00 N ATOM 1421 CA VAL A 95 14.295 5.804 6.119 1.00 1.00 C ATOM 1422 C VAL A 95 15.710 6.187 5.709 1.00 1.00 C ATOM 1423 O VAL A 95 16.014 7.358 5.484 1.00 1.00 O ATOM 1424 CB VAL A 95 14.181 5.694 7.647 1.00 1.00 C ATOM 1425 CG1 VAL A 95 15.495 5.202 8.263 1.00 1.00 C ATOM 1426 CG2 VAL A 95 13.837 7.067 8.227 1.00 1.00 C ATOM 0 H VAL A 95 13.795 3.768 6.136 1.00 1.00 H new ATOM 0 HA VAL A 95 13.616 6.588 5.782 1.00 1.00 H new ATOM 0 HB VAL A 95 13.397 4.975 7.884 1.00 1.00 H new ATOM 0 HG11 VAL A 95 15.386 5.133 9.345 1.00 1.00 H new ATOM 0 HG12 VAL A 95 15.740 4.219 7.860 1.00 1.00 H new ATOM 0 HG13 VAL A 95 16.294 5.903 8.022 1.00 1.00 H new ATOM 0 HG21 VAL A 95 13.755 6.994 9.311 1.00 1.00 H new ATOM 0 HG22 VAL A 95 14.622 7.778 7.970 1.00 1.00 H new ATOM 0 HG23 VAL A 95 12.888 7.409 7.814 1.00 1.00 H new ATOM 1436 N SER A 96 16.575 5.184 5.636 1.00 1.00 N ATOM 1437 CA SER A 96 17.974 5.410 5.277 1.00 1.00 C ATOM 1438 C SER A 96 18.093 6.055 3.902 1.00 1.00 C ATOM 1439 O SER A 96 18.846 7.013 3.721 1.00 1.00 O ATOM 1440 CB SER A 96 18.738 4.086 5.284 1.00 1.00 C ATOM 1441 OG SER A 96 19.975 4.253 4.603 1.00 1.00 O ATOM 0 H SER A 96 16.337 4.209 5.819 1.00 1.00 H new ATOM 0 HA SER A 96 18.403 6.087 6.016 1.00 1.00 H new ATOM 0 HB2 SER A 96 18.915 3.761 6.309 1.00 1.00 H new ATOM 0 HB3 SER A 96 18.146 3.309 4.801 1.00 1.00 H new ATOM 0 HG SER A 96 20.468 3.406 4.607 1.00 1.00 H new ATOM 1447 N ILE A 97 17.348 5.533 2.935 1.00 1.00 N ATOM 1448 CA ILE A 97 17.388 6.081 1.585 1.00 1.00 C ATOM 1449 C ILE A 97 16.721 7.454 1.570 1.00 1.00 C ATOM 1450 O ILE A 97 17.184 8.374 0.897 1.00 1.00 O ATOM 1451 CB ILE A 97 16.676 5.130 0.609 1.00 1.00 C ATOM 1452 CG1 ILE A 97 17.315 3.739 0.680 1.00 1.00 C ATOM 1453 CG2 ILE A 97 16.810 5.657 -0.822 1.00 1.00 C ATOM 1454 CD1 ILE A 97 16.291 2.687 0.254 1.00 1.00 C ATOM 0 H ILE A 97 16.717 4.741 3.057 1.00 1.00 H new ATOM 0 HA ILE A 97 18.426 6.187 1.270 1.00 1.00 H new ATOM 0 HB ILE A 97 15.623 5.070 0.885 1.00 1.00 H new ATOM 0 HG12 ILE A 97 18.189 3.695 0.031 1.00 1.00 H new ATOM 0 HG13 ILE A 97 17.660 3.537 1.694 1.00 1.00 H new ATOM 0 HG21 ILE A 97 16.303 4.979 -1.508 1.00 1.00 H new ATOM 0 HG22 ILE A 97 16.357 6.646 -0.889 1.00 1.00 H new ATOM 0 HG23 ILE A 97 17.865 5.722 -1.089 1.00 1.00 H new ATOM 0 HD11 ILE A 97 16.744 1.697 0.304 1.00 1.00 H new ATOM 0 HD12 ILE A 97 15.430 2.726 0.921 1.00 1.00 H new ATOM 0 HD13 ILE A 97 15.968 2.887 -0.768 1.00 1.00 H new ATOM 1466 N LEU A 98 15.636 7.581 2.327 1.00 1.00 N ATOM 1467 CA LEU A 98 14.908 8.844 2.409 1.00 1.00 C ATOM 1468 C LEU A 98 15.849 9.971 2.826 1.00 1.00 C ATOM 1469 O LEU A 98 15.888 11.027 2.193 1.00 1.00 O ATOM 1470 CB LEU A 98 13.774 8.707 3.433 1.00 1.00 C ATOM 1471 CG LEU A 98 13.117 10.066 3.704 1.00 1.00 C ATOM 1472 CD1 LEU A 98 12.707 10.716 2.384 1.00 1.00 C ATOM 1473 CD2 LEU A 98 11.872 9.859 4.570 1.00 1.00 C ATOM 0 H LEU A 98 15.242 6.828 2.891 1.00 1.00 H new ATOM 0 HA LEU A 98 14.492 9.083 1.430 1.00 1.00 H new ATOM 0 HB2 LEU A 98 13.027 8.004 3.063 1.00 1.00 H new ATOM 0 HB3 LEU A 98 14.166 8.296 4.363 1.00 1.00 H new ATOM 0 HG LEU A 98 13.826 10.713 4.220 1.00 1.00 H new ATOM 0 HD11 LEU A 98 12.241 11.681 2.583 1.00 1.00 H new ATOM 0 HD12 LEU A 98 13.589 10.861 1.760 1.00 1.00 H new ATOM 0 HD13 LEU A 98 11.998 10.071 1.865 1.00 1.00 H new ATOM 0 HD21 LEU A 98 11.401 10.822 4.766 1.00 1.00 H new ATOM 0 HD22 LEU A 98 11.169 9.211 4.047 1.00 1.00 H new ATOM 0 HD23 LEU A 98 12.159 9.397 5.515 1.00 1.00 H new ATOM 1485 N ASN A 99 16.605 9.739 3.893 1.00 1.00 N ATOM 1486 CA ASN A 99 17.541 10.742 4.385 1.00 1.00 C ATOM 1487 C ASN A 99 18.532 11.134 3.292 1.00 1.00 C ATOM 1488 O ASN A 99 18.968 12.282 3.220 1.00 1.00 O ATOM 1489 CB ASN A 99 18.301 10.199 5.598 1.00 1.00 C ATOM 1490 CG ASN A 99 18.507 11.308 6.622 1.00 1.00 C ATOM 1491 OD1 ASN A 99 19.356 12.179 6.431 1.00 1.00 O ATOM 1492 ND2 ASN A 99 17.770 11.337 7.698 1.00 1.00 N ATOM 0 H ASN A 99 16.589 8.872 4.430 1.00 1.00 H new ATOM 0 HA ASN A 99 16.975 11.626 4.679 1.00 1.00 H new ATOM 0 HB2 ASN A 99 17.745 9.376 6.047 1.00 1.00 H new ATOM 0 HB3 ASN A 99 19.265 9.799 5.284 1.00 1.00 H new ATOM 0 HD21 ASN A 99 17.897 12.082 8.383 1.00 1.00 H new ATOM 0 HD22 ASN A 99 17.067 10.615 7.854 1.00 1.00 H new ATOM 1499 N GLY A 100 18.876 10.172 2.445 1.00 1.00 N ATOM 1500 CA GLY A 100 19.812 10.426 1.355 1.00 1.00 C ATOM 1501 C GLY A 100 19.122 11.155 0.207 1.00 1.00 C ATOM 1502 O GLY A 100 19.744 11.936 -0.512 1.00 1.00 O ATOM 0 H GLY A 100 18.525 9.215 2.490 1.00 1.00 H new ATOM 0 HA2 GLY A 100 20.649 11.022 1.720 1.00 1.00 H new ATOM 0 HA3 GLY A 100 20.225 9.483 0.997 1.00 1.00 H new ATOM 1506 N ILE A 101 17.831 10.889 0.039 1.00 1.00 N ATOM 1507 CA ILE A 101 17.059 11.520 -1.026 1.00 1.00 C ATOM 1508 C ILE A 101 16.741 12.970 -0.678 1.00 1.00 C ATOM 1509 O ILE A 101 16.712 13.836 -1.551 1.00 1.00 O ATOM 1510 CB ILE A 101 15.758 10.746 -1.248 1.00 1.00 C ATOM 1511 CG1 ILE A 101 16.048 9.507 -2.095 1.00 1.00 C ATOM 1512 CG2 ILE A 101 14.747 11.635 -1.975 1.00 1.00 C ATOM 1513 CD1 ILE A 101 15.084 8.387 -1.704 1.00 1.00 C ATOM 0 H ILE A 101 17.299 10.244 0.623 1.00 1.00 H new ATOM 0 HA ILE A 101 17.654 11.506 -1.939 1.00 1.00 H new ATOM 0 HB ILE A 101 15.345 10.445 -0.285 1.00 1.00 H new ATOM 0 HG12 ILE A 101 15.938 9.743 -3.154 1.00 1.00 H new ATOM 0 HG13 ILE A 101 17.078 9.184 -1.945 1.00 1.00 H new ATOM 0 HG21 ILE A 101 13.822 11.081 -2.132 1.00 1.00 H new ATOM 0 HG22 ILE A 101 14.542 12.520 -1.373 1.00 1.00 H new ATOM 0 HG23 ILE A 101 15.156 11.938 -2.939 1.00 1.00 H new ATOM 0 HD11 ILE A 101 15.290 7.503 -2.307 1.00 1.00 H new ATOM 0 HD12 ILE A 101 15.216 8.145 -0.649 1.00 1.00 H new ATOM 0 HD13 ILE A 101 14.058 8.713 -1.876 1.00 1.00 H new ATOM 1525 N ALA A 102 16.500 13.228 0.602 1.00 1.00 N ATOM 1526 CA ALA A 102 16.184 14.579 1.052 1.00 1.00 C ATOM 1527 C ALA A 102 17.396 15.493 0.906 1.00 1.00 C ATOM 1528 O ALA A 102 17.257 16.711 0.798 1.00 1.00 O ATOM 1529 CB ALA A 102 15.739 14.551 2.516 1.00 1.00 C ATOM 0 H ALA A 102 16.517 12.526 1.342 1.00 1.00 H new ATOM 0 HA ALA A 102 15.375 14.966 0.432 1.00 1.00 H new ATOM 0 HB1 ALA A 102 15.505 15.564 2.845 1.00 1.00 H new ATOM 0 HB2 ALA A 102 14.853 13.923 2.615 1.00 1.00 H new ATOM 0 HB3 ALA A 102 16.541 14.146 3.133 1.00 1.00 H new ATOM 1535 N LYS A 103 18.586 14.898 0.906 1.00 1.00 N ATOM 1536 CA LYS A 103 19.816 15.672 0.775 1.00 1.00 C ATOM 1537 C LYS A 103 20.048 16.085 -0.675 1.00 1.00 C ATOM 1538 O LYS A 103 20.377 17.239 -0.956 1.00 1.00 O ATOM 1539 CB LYS A 103 21.004 14.846 1.269 1.00 1.00 C ATOM 1540 CG LYS A 103 22.228 15.752 1.416 1.00 1.00 C ATOM 1541 CD LYS A 103 23.466 14.897 1.699 1.00 1.00 C ATOM 1542 CE LYS A 103 24.334 14.823 0.443 1.00 1.00 C ATOM 1543 NZ LYS A 103 25.520 13.959 0.706 1.00 1.00 N ATOM 0 H LYS A 103 18.724 13.891 0.994 1.00 1.00 H new ATOM 0 HA LYS A 103 19.719 16.573 1.381 1.00 1.00 H new ATOM 0 HB2 LYS A 103 20.765 14.381 2.226 1.00 1.00 H new ATOM 0 HB3 LYS A 103 21.217 14.040 0.567 1.00 1.00 H new ATOM 0 HG2 LYS A 103 22.375 16.333 0.506 1.00 1.00 H new ATOM 0 HG3 LYS A 103 22.072 16.464 2.227 1.00 1.00 H new ATOM 0 HD2 LYS A 103 24.036 15.326 2.523 1.00 1.00 H new ATOM 0 HD3 LYS A 103 23.166 13.895 2.006 1.00 1.00 H new ATOM 0 HE2 LYS A 103 23.755 14.420 -0.388 1.00 1.00 H new ATOM 0 HE3 LYS A 103 24.657 15.823 0.152 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 26.110 13.909 -0.149 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 26.076 14.361 1.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 25.203 13.003 0.964 1.00 1.00 H new ATOM 1557 N GLN A 104 19.879 15.139 -1.593 1.00 1.00 N ATOM 1558 CA GLN A 104 20.079 15.423 -3.011 1.00 1.00 C ATOM 1559 C GLN A 104 18.848 16.103 -3.603 1.00 1.00 C ATOM 1560 O GLN A 104 18.966 17.021 -4.414 1.00 1.00 O ATOM 1561 CB GLN A 104 20.367 14.125 -3.770 1.00 1.00 C ATOM 1562 CG GLN A 104 19.075 13.322 -3.924 1.00 1.00 C ATOM 1563 CD GLN A 104 19.398 11.858 -4.205 1.00 1.00 C ATOM 1564 OE1 GLN A 104 18.903 11.287 -5.176 1.00 1.00 O ATOM 1565 NE2 GLN A 104 20.203 11.213 -3.405 1.00 1.00 N ATOM 0 H GLN A 104 19.607 14.178 -1.385 1.00 1.00 H new ATOM 0 HA GLN A 104 20.931 16.096 -3.110 1.00 1.00 H new ATOM 0 HB2 GLN A 104 20.786 14.351 -4.751 1.00 1.00 H new ATOM 0 HB3 GLN A 104 21.111 13.536 -3.234 1.00 1.00 H new ATOM 0 HG2 GLN A 104 18.477 13.403 -3.016 1.00 1.00 H new ATOM 0 HG3 GLN A 104 18.477 13.733 -4.737 1.00 1.00 H new ATOM 0 HE21 GLN A 104 20.612 11.689 -2.601 1.00 1.00 H new ATOM 0 HE22 GLN A 104 20.423 10.233 -3.584 1.00 1.00 H new ATOM 1574 N GLN A 105 17.668 15.646 -3.191 1.00 1.00 N ATOM 1575 CA GLN A 105 16.421 16.218 -3.687 1.00 1.00 C ATOM 1576 C GLN A 105 15.775 17.098 -2.621 1.00 1.00 C ATOM 1577 O GLN A 105 15.160 16.597 -1.679 1.00 1.00 O ATOM 1578 CB GLN A 105 15.454 15.100 -4.085 1.00 1.00 C ATOM 1579 CG GLN A 105 15.069 15.260 -5.556 1.00 1.00 C ATOM 1580 CD GLN A 105 14.055 14.193 -5.950 1.00 1.00 C ATOM 1581 OE1 GLN A 105 13.946 13.162 -5.285 1.00 1.00 O ATOM 1582 NE2 GLN A 105 13.300 14.378 -6.998 1.00 1.00 N ATOM 0 H GLN A 105 17.550 14.887 -2.520 1.00 1.00 H new ATOM 0 HA GLN A 105 16.646 16.830 -4.560 1.00 1.00 H new ATOM 0 HB2 GLN A 105 15.919 14.128 -3.923 1.00 1.00 H new ATOM 0 HB3 GLN A 105 14.563 15.135 -3.459 1.00 1.00 H new ATOM 0 HG2 GLN A 105 14.649 16.252 -5.724 1.00 1.00 H new ATOM 0 HG3 GLN A 105 15.957 15.179 -6.183 1.00 1.00 H new ATOM 0 HE21 GLN A 105 13.391 15.232 -7.548 1.00 1.00 H new ATOM 0 HE22 GLN A 105 12.619 13.668 -7.267 1.00 1.00 H new ATOM 1591 N ASN A 106 15.919 18.410 -2.776 1.00 1.00 N ATOM 1592 CA ASN A 106 15.345 19.349 -1.820 1.00 1.00 C ATOM 1593 C ASN A 106 13.997 19.861 -2.314 1.00 1.00 C ATOM 1594 O ASN A 106 13.104 20.153 -1.520 1.00 1.00 O ATOM 1595 CB ASN A 106 16.296 20.529 -1.613 1.00 1.00 C ATOM 1596 CG ASN A 106 17.708 20.019 -1.346 1.00 1.00 C ATOM 1597 OD1 ASN A 106 18.383 19.548 -2.263 1.00 1.00 O ATOM 1598 ND2 ASN A 106 18.199 20.083 -0.138 1.00 1.00 N ATOM 0 H ASN A 106 16.424 18.844 -3.548 1.00 1.00 H new ATOM 0 HA ASN A 106 15.198 18.830 -0.873 1.00 1.00 H new ATOM 0 HB2 ASN A 106 16.292 21.169 -2.495 1.00 1.00 H new ATOM 0 HB3 ASN A 106 15.956 21.138 -0.776 1.00 1.00 H new ATOM 0 HD21 ASN A 106 19.143 19.743 0.048 1.00 1.00 H new ATOM 0 HD22 ASN A 106 17.639 20.473 0.620 1.00 1.00 H new ATOM 1605 N SER A 107 13.856 19.968 -3.632 1.00 1.00 N ATOM 1606 CA SER A 107 12.610 20.446 -4.220 1.00 1.00 C ATOM 1607 C SER A 107 12.520 20.041 -5.688 1.00 1.00 C ATOM 1608 O SER A 107 13.519 20.043 -6.406 1.00 1.00 O ATOM 1609 CB SER A 107 12.529 21.969 -4.105 1.00 1.00 C ATOM 1610 OG SER A 107 13.765 22.537 -4.518 1.00 1.00 O ATOM 0 H SER A 107 14.583 19.732 -4.308 1.00 1.00 H new ATOM 0 HA SER A 107 11.779 19.995 -3.678 1.00 1.00 H new ATOM 0 HB2 SER A 107 11.716 22.349 -4.723 1.00 1.00 H new ATOM 0 HB3 SER A 107 12.309 22.257 -3.077 1.00 1.00 H new ATOM 0 HG SER A 107 13.716 23.513 -4.447 1.00 1.00 H new ATOM 1616 N GLN A 108 11.315 19.692 -6.126 1.00 1.00 N ATOM 1617 CA GLN A 108 11.104 19.286 -7.512 1.00 1.00 C ATOM 1618 C GLN A 108 9.693 19.644 -7.967 1.00 1.00 C ATOM 1619 O GLN A 108 8.733 19.501 -7.212 1.00 1.00 O ATOM 1620 CB GLN A 108 11.320 17.778 -7.652 1.00 1.00 C ATOM 1621 CG GLN A 108 11.400 17.408 -9.134 1.00 1.00 C ATOM 1622 CD GLN A 108 10.587 16.146 -9.404 1.00 1.00 C ATOM 1623 OE1 GLN A 108 9.462 16.016 -8.920 1.00 1.00 O ATOM 1624 NE2 GLN A 108 11.091 15.205 -10.154 1.00 1.00 N ATOM 0 H GLN A 108 10.475 19.682 -5.547 1.00 1.00 H new ATOM 0 HA GLN A 108 11.821 19.816 -8.139 1.00 1.00 H new ATOM 0 HB2 GLN A 108 12.237 17.483 -7.143 1.00 1.00 H new ATOM 0 HB3 GLN A 108 10.503 17.237 -7.175 1.00 1.00 H new ATOM 0 HG2 GLN A 108 11.023 18.230 -9.743 1.00 1.00 H new ATOM 0 HG3 GLN A 108 12.439 17.249 -9.421 1.00 1.00 H new ATOM 0 HE21 GLN A 108 12.023 15.316 -10.553 1.00 1.00 H new ATOM 0 HE22 GLN A 108 10.553 14.359 -10.341 1.00 1.00 H new ATOM 1633 N ASN A 109 9.577 20.112 -9.206 1.00 1.00 N ATOM 1634 CA ASN A 109 8.278 20.487 -9.751 1.00 1.00 C ATOM 1635 C ASN A 109 7.303 19.317 -9.671 1.00 1.00 C ATOM 1636 O ASN A 109 7.705 18.157 -9.744 1.00 1.00 O ATOM 1637 CB ASN A 109 8.431 20.929 -11.208 1.00 1.00 C ATOM 1638 CG ASN A 109 9.075 19.816 -12.025 1.00 1.00 C ATOM 1639 OD1 ASN A 109 8.726 18.646 -11.868 1.00 1.00 O ATOM 1640 ND2 ASN A 109 10.002 20.110 -12.897 1.00 1.00 N ATOM 0 H ASN A 109 10.360 20.240 -9.847 1.00 1.00 H new ATOM 0 HA ASN A 109 7.883 21.313 -9.160 1.00 1.00 H new ATOM 0 HB2 ASN A 109 7.456 21.180 -11.625 1.00 1.00 H new ATOM 0 HB3 ASN A 109 9.042 21.830 -11.261 1.00 1.00 H new ATOM 0 HD21 ASN A 109 10.437 19.370 -13.448 1.00 1.00 H new ATOM 0 HD22 ASN A 109 10.291 21.080 -13.027 1.00 1.00 H new ATOM 1647 N ASN A 110 6.021 19.632 -9.521 1.00 1.00 N ATOM 1648 CA ASN A 110 4.997 18.596 -9.432 1.00 1.00 C ATOM 1649 C ASN A 110 3.705 19.066 -10.094 1.00 1.00 C ATOM 1650 O ASN A 110 2.679 18.387 -10.026 1.00 1.00 O ATOM 1651 CB ASN A 110 4.727 18.255 -7.966 1.00 1.00 C ATOM 1652 CG ASN A 110 4.932 16.761 -7.734 1.00 1.00 C ATOM 1653 OD1 ASN A 110 5.994 16.224 -8.044 1.00 1.00 O ATOM 1654 ND2 ASN A 110 3.971 16.054 -7.204 1.00 1.00 N ATOM 0 H ASN A 110 5.668 20.587 -9.459 1.00 1.00 H new ATOM 0 HA ASN A 110 5.357 17.707 -9.951 1.00 1.00 H new ATOM 0 HB2 ASN A 110 5.395 18.827 -7.322 1.00 1.00 H new ATOM 0 HB3 ASN A 110 3.708 18.537 -7.700 1.00 1.00 H new ATOM 0 HD21 ASN A 110 4.100 15.055 -7.046 1.00 1.00 H new ATOM 0 HD22 ASN A 110 3.091 16.501 -6.947 1.00 1.00 H new ATOM 1661 N SER A 111 3.760 20.229 -10.734 1.00 1.00 N ATOM 1662 CA SER A 111 2.587 20.776 -11.406 1.00 1.00 C ATOM 1663 C SER A 111 2.320 20.032 -12.710 1.00 1.00 C ATOM 1664 O SER A 111 3.243 19.762 -13.478 1.00 1.00 O ATOM 1665 CB SER A 111 2.799 22.262 -11.696 1.00 1.00 C ATOM 1666 OG SER A 111 2.543 23.013 -10.518 1.00 1.00 O ATOM 0 H SER A 111 4.597 20.807 -10.802 1.00 1.00 H new ATOM 0 HA SER A 111 1.725 20.654 -10.750 1.00 1.00 H new ATOM 0 HB2 SER A 111 3.820 22.435 -12.037 1.00 1.00 H new ATOM 0 HB3 SER A 111 2.136 22.586 -12.498 1.00 1.00 H new ATOM 0 HG SER A 111 2.680 23.966 -10.701 1.00 1.00 H new ATOM 1672 N LYS A 112 1.049 19.704 -12.946 1.00 1.00 N ATOM 1673 CA LYS A 112 0.649 18.989 -14.157 1.00 1.00 C ATOM 1674 C LYS A 112 0.797 17.484 -13.963 1.00 1.00 C ATOM 1675 O LYS A 112 0.826 16.723 -14.931 1.00 1.00 O ATOM 1676 CB LYS A 112 1.486 19.441 -15.357 1.00 1.00 C ATOM 1677 CG LYS A 112 0.655 19.317 -16.636 1.00 1.00 C ATOM 1678 CD LYS A 112 -0.183 20.583 -16.825 1.00 1.00 C ATOM 1679 CE LYS A 112 -1.486 20.231 -17.544 1.00 1.00 C ATOM 1680 NZ LYS A 112 -1.202 19.265 -18.644 1.00 1.00 N ATOM 0 H LYS A 112 0.279 19.923 -12.314 1.00 1.00 H new ATOM 0 HA LYS A 112 -0.398 19.221 -14.353 1.00 1.00 H new ATOM 0 HB2 LYS A 112 1.810 20.473 -15.220 1.00 1.00 H new ATOM 0 HB3 LYS A 112 2.387 18.832 -15.436 1.00 1.00 H new ATOM 0 HG2 LYS A 112 1.310 19.170 -17.495 1.00 1.00 H new ATOM 0 HG3 LYS A 112 0.006 18.444 -16.577 1.00 1.00 H new ATOM 0 HD2 LYS A 112 -0.400 21.036 -15.858 1.00 1.00 H new ATOM 0 HD3 LYS A 112 0.376 21.319 -17.403 1.00 1.00 H new ATOM 0 HE2 LYS A 112 -2.197 19.798 -16.840 1.00 1.00 H new ATOM 0 HE3 LYS A 112 -1.946 21.133 -17.948 1.00 1.00 H new ATOM 0 HZ1 LYS A 112 -1.901 19.389 -19.404 1.00 1.00 H new ATOM 0 HZ2 LYS A 112 -0.247 19.437 -19.019 1.00 1.00 H new ATOM 0 HZ3 LYS A 112 -1.260 18.294 -18.277 1.00 1.00 H new ATOM 1694 N ILE A 113 0.891 17.061 -12.707 1.00 1.00 N ATOM 1695 CA ILE A 113 1.037 15.644 -12.397 1.00 1.00 C ATOM 1696 C ILE A 113 0.166 15.265 -11.203 1.00 1.00 C ATOM 1697 O ILE A 113 -0.069 14.085 -10.943 1.00 1.00 O ATOM 1698 CB ILE A 113 2.499 15.324 -12.086 1.00 1.00 C ATOM 1699 CG1 ILE A 113 3.405 16.104 -13.042 1.00 1.00 C ATOM 1700 CG2 ILE A 113 2.743 13.825 -12.265 1.00 1.00 C ATOM 1701 CD1 ILE A 113 4.858 15.675 -12.832 1.00 1.00 C ATOM 0 H ILE A 113 0.869 17.674 -11.892 1.00 1.00 H new ATOM 0 HA ILE A 113 0.717 15.067 -13.265 1.00 1.00 H new ATOM 0 HB ILE A 113 2.722 15.608 -11.058 1.00 1.00 H new ATOM 0 HG12 ILE A 113 3.106 15.921 -14.074 1.00 1.00 H new ATOM 0 HG13 ILE A 113 3.302 17.175 -12.866 1.00 1.00 H new ATOM 0 HG21 ILE A 113 3.786 13.597 -12.043 1.00 1.00 H new ATOM 0 HG22 ILE A 113 2.097 13.268 -11.586 1.00 1.00 H new ATOM 0 HG23 ILE A 113 2.520 13.540 -13.293 1.00 1.00 H new ATOM 0 HD11 ILE A 113 5.503 16.230 -13.513 1.00 1.00 H new ATOM 0 HD12 ILE A 113 5.153 15.881 -11.803 1.00 1.00 H new ATOM 0 HD13 ILE A 113 4.955 14.608 -13.030 1.00 1.00 H new ATOM 1713 N ILE A 114 -0.308 16.274 -10.479 1.00 1.00 N ATOM 1714 CA ILE A 114 -1.149 16.037 -9.315 1.00 1.00 C ATOM 1715 C ILE A 114 -2.513 15.499 -9.738 1.00 1.00 C ATOM 1716 O ILE A 114 -3.214 14.867 -8.948 1.00 1.00 O ATOM 1717 CB ILE A 114 -1.332 17.338 -8.533 1.00 1.00 C ATOM 1718 CG1 ILE A 114 -1.540 18.496 -9.512 1.00 1.00 C ATOM 1719 CG2 ILE A 114 -0.086 17.604 -7.686 1.00 1.00 C ATOM 1720 CD1 ILE A 114 -2.168 19.681 -8.775 1.00 1.00 C ATOM 0 H ILE A 114 -0.125 17.258 -10.678 1.00 1.00 H new ATOM 0 HA ILE A 114 -0.661 15.296 -8.682 1.00 1.00 H new ATOM 0 HB ILE A 114 -2.202 17.251 -7.882 1.00 1.00 H new ATOM 0 HG12 ILE A 114 -0.587 18.791 -9.951 1.00 1.00 H new ATOM 0 HG13 ILE A 114 -2.185 18.181 -10.332 1.00 1.00 H new ATOM 0 HG21 ILE A 114 -0.216 18.531 -7.128 1.00 1.00 H new ATOM 0 HG22 ILE A 114 0.063 16.779 -6.989 1.00 1.00 H new ATOM 0 HG23 ILE A 114 0.784 17.691 -8.336 1.00 1.00 H new ATOM 0 HD11 ILE A 114 -2.316 20.506 -9.472 1.00 1.00 H new ATOM 0 HD12 ILE A 114 -3.129 19.382 -8.357 1.00 1.00 H new ATOM 0 HD13 ILE A 114 -1.506 20.001 -7.970 1.00 1.00 H new ATOM 1732 N PHE A 115 -2.882 15.754 -10.989 1.00 1.00 N ATOM 1733 CA PHE A 115 -4.164 15.289 -11.506 1.00 1.00 C ATOM 1734 C PHE A 115 -4.362 13.809 -11.191 1.00 1.00 C ATOM 1735 O PHE A 115 -3.857 12.940 -11.900 1.00 1.00 O ATOM 1736 CB PHE A 115 -4.228 15.506 -13.019 1.00 1.00 C ATOM 1737 CG PHE A 115 -5.347 16.467 -13.344 1.00 1.00 C ATOM 1738 CD1 PHE A 115 -5.205 17.830 -13.061 1.00 1.00 C ATOM 1739 CD2 PHE A 115 -6.528 15.993 -13.928 1.00 1.00 C ATOM 1740 CE1 PHE A 115 -6.241 18.721 -13.362 1.00 1.00 C ATOM 1741 CE2 PHE A 115 -7.566 16.883 -14.228 1.00 1.00 C ATOM 1742 CZ PHE A 115 -7.423 18.247 -13.946 1.00 1.00 C ATOM 0 H PHE A 115 -2.317 16.276 -11.659 1.00 1.00 H new ATOM 0 HA PHE A 115 -4.958 15.861 -11.025 1.00 1.00 H new ATOM 0 HB2 PHE A 115 -3.279 15.901 -13.381 1.00 1.00 H new ATOM 0 HB3 PHE A 115 -4.392 14.555 -13.527 1.00 1.00 H new ATOM 0 HD1 PHE A 115 -4.294 18.195 -12.610 1.00 1.00 H new ATOM 0 HD2 PHE A 115 -6.638 14.941 -14.147 1.00 1.00 H new ATOM 0 HE1 PHE A 115 -6.130 19.773 -13.144 1.00 1.00 H new ATOM 0 HE2 PHE A 115 -8.478 16.517 -14.677 1.00 1.00 H new ATOM 0 HZ PHE A 115 -8.224 18.934 -14.179 1.00 1.00 H new ATOM 1752 N GLU A 116 -5.100 13.531 -10.121 1.00 1.00 N ATOM 1753 CA GLU A 116 -5.359 12.154 -9.720 1.00 1.00 C ATOM 1754 C GLU A 116 -5.826 11.326 -10.914 1.00 1.00 C ATOM 1755 O GLU A 116 -5.653 10.120 -10.879 1.00 1.00 O ATOM 1756 CB GLU A 116 -6.425 12.120 -8.624 1.00 1.00 C ATOM 1757 CG GLU A 116 -5.761 12.320 -7.260 1.00 1.00 C ATOM 1758 CD GLU A 116 -5.151 11.008 -6.778 1.00 1.00 C ATOM 1759 OE1 GLU A 116 -5.795 9.985 -6.938 1.00 1.00 O ATOM 1760 OE2 GLU A 116 -4.048 11.047 -6.257 1.00 1.00 O ATOM 0 H GLU A 116 -5.526 14.236 -9.520 1.00 1.00 H new ATOM 0 HA GLU A 116 -4.432 11.727 -9.337 1.00 1.00 H new ATOM 0 HB2 GLU A 116 -7.166 12.901 -8.798 1.00 1.00 H new ATOM 0 HB3 GLU A 116 -6.955 11.168 -8.646 1.00 1.00 H new ATOM 0 HG2 GLU A 116 -4.988 13.085 -7.332 1.00 1.00 H new ATOM 0 HG3 GLU A 116 -6.496 12.676 -6.538 1.00 1.00 H new TER 1767 GLU A 116 HETATM 1768 O1 MTN A 128 2.866 2.105 -10.355 1.00 1.00 O HETATM 1769 N1 MTN A 128 3.754 2.833 -10.888 1.00 1.00 N HETATM 1770 C1 MTN A 128 4.873 2.287 -11.686 1.00 1.00 C HETATM 1771 C2 MTN A 128 5.566 3.548 -12.045 1.00 1.00 C HETATM 1772 C3 MTN A 128 4.987 4.630 -11.565 1.00 1.00 C HETATM 1773 C4 MTN A 128 5.472 6.025 -11.774 1.00 1.00 C HETATM 1774 S1 MTN A 128 6.343 6.277 -13.339 1.00 1.00 S HETATM 1775 C5 MTN A 128 3.749 4.318 -10.759 1.00 1.00 C HETATM 1776 C6 MTN A 128 3.810 4.843 -9.331 1.00 1.00 C HETATM 1777 C7 MTN A 128 2.522 4.863 -11.481 1.00 1.00 C HETATM 1778 C8 MTN A 128 4.338 1.599 -12.930 1.00 1.00 C HETATM 1779 C9 MTN A 128 5.779 1.355 -10.883 1.00 1.00 C HETATM 0 H93 MTN A 128 6.207 1.900 -10.042 1.00 1.00 H new HETATM 0 H92 MTN A 128 5.196 0.513 -10.511 1.00 1.00 H new HETATM 0 H91 MTN A 128 6.581 0.987 -11.523 1.00 1.00 H new HETATM 0 H83 MTN A 128 3.675 0.784 -12.639 1.00 1.00 H new HETATM 0 H82 MTN A 128 3.785 2.318 -13.534 1.00 1.00 H new HETATM 0 H81 MTN A 128 5.169 1.200 -13.511 1.00 1.00 H new HETATM 0 H73 MTN A 128 2.564 4.582 -12.533 1.00 1.00 H new HETATM 0 H72 MTN A 128 1.620 4.448 -11.030 1.00 1.00 H new HETATM 0 H71 MTN A 128 2.503 5.950 -11.396 1.00 1.00 H new HETATM 0 H63 MTN A 128 2.947 4.480 -8.773 1.00 1.00 H new HETATM 0 H62 MTN A 128 4.725 4.493 -8.853 1.00 1.00 H new HETATM 0 H61 MTN A 128 3.801 5.933 -9.343 1.00 1.00 H new HETATM 0 H42 MTN A 128 4.621 6.705 -11.731 1.00 1.00 H new HETATM 0 H41 MTN A 128 6.137 6.294 -10.953 1.00 1.00 H new HETATM 0 H2 MTN A 128 6.472 3.577 -12.651 1.00 1.00 H new HETATM 1795 O1 MTN A 129 1.986 -0.245 -7.288 1.00 1.00 O HETATM 1796 N1 MTN A 129 1.500 -0.043 -8.439 1.00 1.00 N HETATM 1797 C1 MTN A 129 1.855 -0.859 -9.619 1.00 1.00 C HETATM 1798 C2 MTN A 129 1.020 -0.193 -10.648 1.00 1.00 C HETATM 1799 C3 MTN A 129 0.306 0.816 -10.182 1.00 1.00 C HETATM 1800 C4 MTN A 129 -0.615 1.658 -10.996 1.00 1.00 C HETATM 1801 S1 MTN A 129 0.181 2.490 -12.390 1.00 1.00 S HETATM 1802 C5 MTN A 129 0.519 1.046 -8.706 1.00 1.00 C HETATM 1803 C6 MTN A 129 1.005 2.452 -8.376 1.00 1.00 C HETATM 1804 C7 MTN A 129 -0.769 0.731 -7.955 1.00 1.00 C HETATM 1805 C8 MTN A 129 1.403 -2.294 -9.410 1.00 1.00 C HETATM 1806 C9 MTN A 129 3.340 -0.794 -9.968 1.00 1.00 C HETATM 0 H93 MTN A 129 3.618 0.237 -10.185 1.00 1.00 H new HETATM 0 H92 MTN A 129 3.928 -1.159 -9.126 1.00 1.00 H new HETATM 0 H91 MTN A 129 3.536 -1.414 -10.843 1.00 1.00 H new HETATM 0 H83 MTN A 129 1.894 -2.705 -8.528 1.00 1.00 H new HETATM 0 H82 MTN A 129 0.323 -2.318 -9.268 1.00 1.00 H new HETATM 0 H81 MTN A 129 1.668 -2.890 -10.284 1.00 1.00 H new HETATM 0 H73 MTN A 129 -1.168 -0.222 -8.301 1.00 1.00 H new HETATM 0 H72 MTN A 129 -0.562 0.671 -6.887 1.00 1.00 H new HETATM 0 H71 MTN A 129 -1.500 1.519 -8.139 1.00 1.00 H new HETATM 0 H63 MTN A 129 1.254 2.512 -7.316 1.00 1.00 H new HETATM 0 H62 MTN A 129 1.890 2.680 -8.970 1.00 1.00 H new HETATM 0 H61 MTN A 129 0.219 3.172 -8.605 1.00 1.00 H new HETATM 0 H42 MTN A 129 -1.423 1.032 -11.374 1.00 1.00 H new HETATM 0 H41 MTN A 129 -1.069 2.409 -10.350 1.00 1.00 H new HETATM 0 H2 MTN A 129 0.998 -0.507 -11.692 1.00 1.00 H new