USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 GLN : amide:sc= -0.392! C(o=-4.5!,f=-8.8!) USER MOD Set 1.2: A 117 SER OG : rot 139:sc= -4.11! USER MOD Set 2.1: A 49 SER OG : rot -54:sc= 0.432 USER MOD Set 2.2: A 83 MET CE :methyl -131:sc= -11! (180deg=-13.6!) USER MOD Set 3.1: A 58 THR OG1 : rot 139:sc= -0.0431 USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= 0.208 USER MOD Single : A 1 GLU N :NH3+ -174:sc= 0.126 (180deg=0.107) USER MOD Single : A 3 GLN :FLIP amide:sc= -1.4 F(o=-2.6!,f=-1.4) USER MOD Single : A 7 SER OG : rot 41:sc= 1.02 USER MOD Single : A 17 SER OG : rot -94:sc= -0.332! USER MOD Single : A 21 SER OG : rot 16:sc= 0.17 USER MOD Single : A 25 SER OG : rot 180:sc= -0.425 USER MOD Single : A 28 THR OG1 : rot -4:sc= -2.69 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -121:sc= 0.378 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 172:sc= -12.4! (180deg=-13.7!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.245 USER MOD Single : A 39 GLN : amide:sc= -0.431 K(o=-0.43,f=-2.9!) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0362) USER MOD Single : A 52 SER OG : rot 180:sc= -1.5! USER MOD Single : A 54 SER OG : rot 180:sc= 0.113 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -1.42! C(o=-1.4!,f=-6.2!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -2.07! C(o=-2.9!,f=-2.1!) USER MOD Single : A 78 THR OG1 : rot 160:sc= -1.29 USER MOD Single : A 80 TYR OH : rot -176:sc= -0.649! USER MOD Single : A 82 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.63) USER MOD Single : A 84 ASN : amide:sc= -2.53! C(o=-2.5!,f=-7.3!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -15:sc= -1.35! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= -4.53! (180deg=-5.57!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= -0.84 USER MOD Single : A 109 GLN : amide:sc= -2.22! C(o=-2.2!,f=-5!) USER MOD Single : A 111 THR OG1 : rot -160:sc= 0.108 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0998 USER MOD Single : A 116 SER OG : rot 57:sc= 0.885 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -14.624 12.449 -11.005 1.00 0.00 N ATOM 2 CA GLU A 1 -15.116 11.222 -11.694 1.00 0.00 C ATOM 3 C GLU A 1 -13.941 10.285 -11.965 1.00 0.00 C ATOM 4 O GLU A 1 -13.808 9.247 -11.351 1.00 0.00 O ATOM 5 CB GLU A 1 -15.770 11.607 -13.022 1.00 0.00 C ATOM 6 CG GLU A 1 -16.552 10.412 -13.568 1.00 0.00 C ATOM 7 CD GLU A 1 -15.613 9.513 -14.375 1.00 0.00 C ATOM 8 OE1 GLU A 1 -14.541 9.975 -14.727 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.983 8.378 -14.627 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.434 13.041 -10.729 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.088 12.179 -10.156 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.007 12.985 -11.648 1.00 0.00 H new ATOM 0 HA GLU A 1 -15.847 10.720 -11.059 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -16.437 12.457 -12.879 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -15.009 11.916 -13.739 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -16.996 9.849 -12.747 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -17.372 10.757 -14.197 1.00 0.00 H new ATOM 10 N VAL A 2 -13.087 10.646 -12.883 1.00 0.00 N ATOM 11 CA VAL A 2 -11.917 9.782 -13.199 1.00 0.00 C ATOM 12 C VAL A 2 -12.401 8.357 -13.508 1.00 0.00 C ATOM 13 O VAL A 2 -13.553 8.022 -13.316 1.00 0.00 O ATOM 14 CB VAL A 2 -10.937 9.794 -11.999 1.00 0.00 C ATOM 15 CG1 VAL A 2 -11.046 8.508 -11.167 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.502 9.930 -12.517 1.00 0.00 C ATOM 0 H VAL A 2 -13.150 11.505 -13.429 1.00 0.00 H new ATOM 0 HA VAL A 2 -11.394 10.161 -14.077 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.198 10.639 -11.361 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.344 8.553 -10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.061 8.409 -10.781 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.811 7.648 -11.794 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.810 9.939 -11.675 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.269 9.088 -13.169 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.404 10.860 -13.077 1.00 0.00 H new ATOM 17 N GLN A 3 -11.517 7.517 -13.963 1.00 0.00 N ATOM 18 CA GLN A 3 -11.889 6.105 -14.264 1.00 0.00 C ATOM 19 C GLN A 3 -10.695 5.252 -13.875 1.00 0.00 C ATOM 20 O GLN A 3 -9.574 5.646 -14.101 1.00 0.00 O ATOM 21 CB GLN A 3 -12.185 5.933 -15.757 1.00 0.00 C ATOM 22 CG GLN A 3 -12.797 4.549 -15.990 1.00 0.00 C ATOM 23 CD GLN A 3 -12.196 3.927 -17.252 1.00 0.00 C ATOM 24 OE1 GLN A 3 -10.997 3.415 -17.207 1.00 0.00 O flip ATOM 25 NE2 GLN A 3 -12.827 3.904 -18.291 1.00 0.00 N flip ATOM 0 H GLN A 3 -10.540 7.750 -14.142 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.785 5.815 -13.715 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.871 6.709 -16.096 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.269 6.041 -16.337 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.607 3.907 -15.130 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.879 4.632 -16.093 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.765 4.304 -18.327 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.419 3.485 -19.126 1.00 0.00 H new ATOM 26 N LEU A 4 -10.896 4.126 -13.238 1.00 0.00 N ATOM 27 CA LEU A 4 -9.710 3.327 -12.808 1.00 0.00 C ATOM 28 C LEU A 4 -10.127 1.992 -12.181 1.00 0.00 C ATOM 29 O LEU A 4 -11.276 1.772 -11.853 1.00 0.00 O ATOM 30 CB LEU A 4 -8.885 4.119 -11.776 1.00 0.00 C ATOM 31 CG LEU A 4 -9.606 5.398 -11.303 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.730 5.387 -9.784 1.00 0.00 C ATOM 33 CD2 LEU A 4 -8.793 6.622 -11.751 1.00 0.00 C ATOM 0 H LEU A 4 -11.807 3.733 -13.002 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.113 3.127 -13.698 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.678 3.483 -10.916 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.923 4.388 -12.213 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.605 5.441 -11.738 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.240 6.292 -9.454 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.303 4.514 -9.472 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.736 5.347 -9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.294 7.532 -11.422 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.796 6.577 -11.312 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.711 6.626 -12.838 1.00 0.00 H new ATOM 34 N VAL A 5 -9.177 1.099 -12.007 1.00 0.00 N ATOM 35 CA VAL A 5 -9.476 -0.236 -11.393 1.00 0.00 C ATOM 36 C VAL A 5 -8.163 -1.006 -11.159 1.00 0.00 C ATOM 37 O VAL A 5 -7.567 -1.532 -12.078 1.00 0.00 O ATOM 38 CB VAL A 5 -10.387 -1.076 -12.309 1.00 0.00 C ATOM 39 CG1 VAL A 5 -11.698 -1.377 -11.582 1.00 0.00 C ATOM 40 CG2 VAL A 5 -10.698 -0.326 -13.611 1.00 0.00 C ATOM 0 H VAL A 5 -8.201 1.240 -12.266 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.988 -0.064 -10.446 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.868 -2.003 -12.554 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.344 -1.971 -12.228 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.488 -1.933 -10.668 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.198 -0.441 -11.331 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.342 -0.940 -14.240 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.204 0.611 -13.379 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.769 -0.115 -14.140 1.00 0.00 H new ATOM 41 N GLU A 6 -7.712 -1.086 -9.932 1.00 0.00 N ATOM 42 CA GLU A 6 -6.445 -1.831 -9.633 1.00 0.00 C ATOM 43 C GLU A 6 -6.438 -3.160 -10.399 1.00 0.00 C ATOM 44 O GLU A 6 -7.445 -3.569 -10.942 1.00 0.00 O ATOM 45 CB GLU A 6 -6.376 -2.118 -8.131 1.00 0.00 C ATOM 46 CG GLU A 6 -7.760 -2.531 -7.627 1.00 0.00 C ATOM 47 CD GLU A 6 -8.335 -1.419 -6.745 1.00 0.00 C ATOM 48 OE1 GLU A 6 -8.056 -1.428 -5.558 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.042 -0.578 -7.273 1.00 0.00 O ATOM 0 H GLU A 6 -8.166 -0.667 -9.121 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.588 -1.230 -9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.654 -2.911 -7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.032 -1.233 -7.596 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.424 -2.721 -8.470 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.690 -3.460 -7.061 1.00 0.00 H new ATOM 50 N SER A 7 -5.321 -3.848 -10.446 1.00 0.00 N ATOM 51 CA SER A 7 -5.291 -5.146 -11.177 1.00 0.00 C ATOM 52 C SER A 7 -3.868 -5.708 -11.171 1.00 0.00 C ATOM 53 O SER A 7 -2.900 -4.974 -11.171 1.00 0.00 O ATOM 54 CB SER A 7 -5.749 -4.932 -12.620 1.00 0.00 C ATOM 55 OG SER A 7 -7.147 -5.181 -12.710 1.00 0.00 O ATOM 0 H SER A 7 -4.441 -3.567 -10.014 1.00 0.00 H new ATOM 0 HA SER A 7 -5.960 -5.852 -10.685 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.528 -3.913 -12.937 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.205 -5.599 -13.289 1.00 0.00 H new ATOM 0 HG SER A 7 -7.597 -4.809 -11.923 1.00 0.00 H new ATOM 56 N GLY A 8 -3.738 -7.006 -11.164 1.00 0.00 N ATOM 57 CA GLY A 8 -2.381 -7.622 -11.156 1.00 0.00 C ATOM 58 C GLY A 8 -2.491 -9.092 -10.745 1.00 0.00 C ATOM 59 O GLY A 8 -2.972 -9.920 -11.492 1.00 0.00 O ATOM 0 H GLY A 8 -4.514 -7.668 -11.163 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.928 -7.542 -12.144 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.731 -7.087 -10.463 1.00 0.00 H new ATOM 60 N GLY A 9 -2.048 -9.422 -9.563 1.00 0.00 N ATOM 61 CA GLY A 9 -2.129 -10.839 -9.106 1.00 0.00 C ATOM 62 C GLY A 9 -0.990 -11.645 -9.734 1.00 0.00 C ATOM 63 O GLY A 9 -1.193 -12.726 -10.250 1.00 0.00 O ATOM 0 H GLY A 9 -1.634 -8.773 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.065 -10.886 -8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.091 -11.268 -9.387 1.00 0.00 H new ATOM 64 N GLY A 10 0.206 -11.128 -9.690 1.00 0.00 N ATOM 65 CA GLY A 10 1.360 -11.863 -10.280 1.00 0.00 C ATOM 66 C GLY A 10 2.087 -12.640 -9.176 1.00 0.00 C ATOM 67 O GLY A 10 2.244 -12.159 -8.069 1.00 0.00 O ATOM 0 H GLY A 10 0.435 -10.227 -9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.012 -12.548 -11.053 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.045 -11.163 -10.759 1.00 0.00 H new ATOM 68 N LEU A 11 2.539 -13.836 -9.461 1.00 0.00 N ATOM 69 CA LEU A 11 3.264 -14.615 -8.416 1.00 0.00 C ATOM 70 C LEU A 11 4.552 -13.868 -8.086 1.00 0.00 C ATOM 71 O LEU A 11 4.902 -12.915 -8.751 1.00 0.00 O ATOM 72 CB LEU A 11 3.600 -16.015 -8.935 1.00 0.00 C ATOM 73 CG LEU A 11 2.314 -16.732 -9.351 1.00 0.00 C ATOM 74 CD1 LEU A 11 2.386 -17.089 -10.837 1.00 0.00 C ATOM 75 CD2 LEU A 11 2.157 -18.014 -8.528 1.00 0.00 C ATOM 0 H LEU A 11 2.438 -14.301 -10.363 1.00 0.00 H new ATOM 0 HA LEU A 11 2.641 -14.720 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.280 -15.945 -9.784 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.113 -16.587 -8.162 1.00 0.00 H new ATOM 0 HG LEU A 11 1.460 -16.078 -9.175 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.470 -17.600 -11.133 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.500 -16.178 -11.425 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.240 -17.744 -11.013 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.241 -18.526 -8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.011 -18.667 -8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.107 -17.762 -7.469 1.00 0.00 H new ATOM 76 N VAL A 12 5.258 -14.262 -7.062 1.00 0.00 N ATOM 77 CA VAL A 12 6.506 -13.514 -6.729 1.00 0.00 C ATOM 78 C VAL A 12 7.291 -14.190 -5.608 1.00 0.00 C ATOM 79 O VAL A 12 7.363 -13.681 -4.508 1.00 0.00 O ATOM 80 CB VAL A 12 6.142 -12.105 -6.266 1.00 0.00 C ATOM 81 CG1 VAL A 12 6.230 -11.142 -7.449 1.00 0.00 C ATOM 82 CG2 VAL A 12 4.718 -12.102 -5.691 1.00 0.00 C ATOM 0 H VAL A 12 5.034 -15.050 -6.454 1.00 0.00 H new ATOM 0 HA VAL A 12 7.124 -13.490 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 12 6.838 -11.785 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.970 -10.136 -7.119 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.246 -11.143 -7.844 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.537 -11.459 -8.228 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.461 -11.095 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.015 -12.423 -6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.666 -12.786 -4.844 1.00 0.00 H new ATOM 83 N GLN A 13 7.915 -15.300 -5.867 1.00 0.00 N ATOM 84 CA GLN A 13 8.720 -15.940 -4.794 1.00 0.00 C ATOM 85 C GLN A 13 9.718 -14.880 -4.288 1.00 0.00 C ATOM 86 O GLN A 13 9.666 -13.749 -4.731 1.00 0.00 O ATOM 87 CB GLN A 13 9.437 -17.168 -5.384 1.00 0.00 C ATOM 88 CG GLN A 13 10.821 -16.786 -5.924 1.00 0.00 C ATOM 89 CD GLN A 13 11.568 -18.050 -6.355 1.00 0.00 C ATOM 90 OE1 GLN A 13 11.179 -19.148 -6.008 1.00 0.00 O ATOM 91 NE2 GLN A 13 12.632 -17.942 -7.100 1.00 0.00 N ATOM 0 H GLN A 13 7.904 -15.788 -6.763 1.00 0.00 H new ATOM 0 HA GLN A 13 8.107 -16.284 -3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.540 -17.937 -4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.835 -17.596 -6.186 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.718 -16.106 -6.769 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.389 -16.259 -5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.959 -17.021 -7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.138 -18.779 -7.391 1.00 0.00 H new ATOM 92 N PRO A 14 10.602 -15.245 -3.398 1.00 0.00 N ATOM 93 CA PRO A 14 11.592 -14.292 -2.874 1.00 0.00 C ATOM 94 C PRO A 14 12.600 -13.940 -3.964 1.00 0.00 C ATOM 95 O PRO A 14 13.346 -14.773 -4.440 1.00 0.00 O ATOM 96 CB PRO A 14 12.222 -15.027 -1.686 1.00 0.00 C ATOM 97 CG PRO A 14 11.935 -16.529 -1.904 1.00 0.00 C ATOM 98 CD PRO A 14 10.721 -16.611 -2.847 1.00 0.00 C ATOM 0 HA PRO A 14 11.168 -13.338 -2.560 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.295 -14.839 -1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.795 -14.682 -0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.799 -17.030 -2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.724 -17.025 -0.957 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.877 -17.347 -3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.819 -16.905 -2.311 1.00 0.00 H new ATOM 99 N GLY A 15 12.590 -12.705 -4.386 1.00 0.00 N ATOM 100 CA GLY A 15 13.503 -12.272 -5.475 1.00 0.00 C ATOM 101 C GLY A 15 12.759 -12.434 -6.802 1.00 0.00 C ATOM 102 O GLY A 15 13.350 -12.479 -7.862 1.00 0.00 O ATOM 0 H GLY A 15 11.982 -11.973 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 15 13.805 -11.235 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.413 -12.872 -5.472 1.00 0.00 H new ATOM 103 N GLY A 16 11.454 -12.535 -6.739 1.00 0.00 N ATOM 104 CA GLY A 16 10.649 -12.707 -7.978 1.00 0.00 C ATOM 105 C GLY A 16 10.382 -11.347 -8.626 1.00 0.00 C ATOM 106 O GLY A 16 11.274 -10.724 -9.166 1.00 0.00 O ATOM 0 H GLY A 16 10.913 -12.505 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.178 -13.354 -8.678 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.705 -13.198 -7.742 1.00 0.00 H new ATOM 107 N SER A 17 9.157 -10.884 -8.580 1.00 0.00 N ATOM 108 CA SER A 17 8.831 -9.566 -9.201 1.00 0.00 C ATOM 109 C SER A 17 7.323 -9.483 -9.435 1.00 0.00 C ATOM 110 O SER A 17 6.747 -10.312 -10.109 1.00 0.00 O ATOM 111 CB SER A 17 9.553 -9.434 -10.542 1.00 0.00 C ATOM 112 OG SER A 17 9.809 -10.731 -11.064 1.00 0.00 O ATOM 0 H SER A 17 8.371 -11.362 -8.140 1.00 0.00 H new ATOM 0 HA SER A 17 9.151 -8.763 -8.537 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.944 -8.861 -11.242 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.488 -8.890 -10.413 1.00 0.00 H new ATOM 0 HG SER A 17 10.709 -11.017 -10.803 1.00 0.00 H new ATOM 113 N LEU A 18 6.674 -8.497 -8.882 1.00 0.00 N ATOM 114 CA LEU A 18 5.209 -8.385 -9.077 1.00 0.00 C ATOM 115 C LEU A 18 4.904 -7.773 -10.427 1.00 0.00 C ATOM 116 O LEU A 18 5.665 -6.995 -10.956 1.00 0.00 O ATOM 117 CB LEU A 18 4.604 -7.454 -8.032 1.00 0.00 C ATOM 118 CG LEU A 18 3.872 -8.250 -6.959 1.00 0.00 C ATOM 119 CD1 LEU A 18 3.011 -9.339 -7.612 1.00 0.00 C ATOM 120 CD2 LEU A 18 4.902 -8.875 -6.017 1.00 0.00 C ATOM 0 H LEU A 18 7.096 -7.768 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 18 4.792 -9.389 -8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.390 -6.854 -7.574 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.913 -6.761 -8.512 1.00 0.00 H new ATOM 0 HG LEU A 18 3.216 -7.591 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.491 -9.904 -6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.281 -8.876 -8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.649 -10.012 -8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.388 -9.447 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.558 -9.536 -6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.494 -8.087 -5.551 1.00 0.00 H new ATOM 121 N ARG A 19 3.762 -8.083 -10.951 1.00 0.00 N ATOM 122 CA ARG A 19 3.337 -7.493 -12.237 1.00 0.00 C ATOM 123 C ARG A 19 1.876 -7.083 -12.066 1.00 0.00 C ATOM 124 O ARG A 19 0.969 -7.812 -12.416 1.00 0.00 O ATOM 125 CB ARG A 19 3.467 -8.523 -13.353 1.00 0.00 C ATOM 126 CG ARG A 19 2.764 -8.000 -14.608 1.00 0.00 C ATOM 127 CD ARG A 19 2.704 -9.109 -15.659 1.00 0.00 C ATOM 128 NE ARG A 19 4.062 -9.693 -15.838 1.00 0.00 N ATOM 129 CZ ARG A 19 4.848 -9.241 -16.775 1.00 0.00 C ATOM 130 NH1 ARG A 19 5.427 -8.080 -16.637 1.00 0.00 N ATOM 131 NH2 ARG A 19 5.052 -9.952 -17.851 1.00 0.00 N ATOM 0 H ARG A 19 3.094 -8.732 -10.535 1.00 0.00 H new ATOM 0 HA ARG A 19 3.957 -6.637 -12.503 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.519 -8.716 -13.565 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.025 -9.470 -13.043 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.757 -7.664 -14.360 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.299 -7.137 -15.005 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.001 -9.882 -15.348 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.340 -8.709 -16.605 1.00 0.00 H new ATOM 0 HE ARG A 19 4.377 -10.447 -15.227 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.265 -7.526 -15.796 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.042 -7.726 -17.370 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.597 -10.859 -17.957 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.666 -9.601 -18.586 1.00 0.00 H new ATOM 132 N LEU A 20 1.643 -5.946 -11.474 1.00 0.00 N ATOM 133 CA LEU A 20 0.235 -5.512 -11.216 1.00 0.00 C ATOM 134 C LEU A 20 -0.077 -4.235 -11.986 1.00 0.00 C ATOM 135 O LEU A 20 0.415 -4.024 -13.077 1.00 0.00 O ATOM 136 CB LEU A 20 0.053 -5.244 -9.724 1.00 0.00 C ATOM 137 CG LEU A 20 1.140 -5.946 -8.906 1.00 0.00 C ATOM 138 CD1 LEU A 20 2.210 -4.924 -8.522 1.00 0.00 C ATOM 139 CD2 LEU A 20 0.517 -6.526 -7.637 1.00 0.00 C ATOM 0 H LEU A 20 2.363 -5.297 -11.157 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.440 -6.303 -11.543 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.087 -4.171 -9.536 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.929 -5.592 -9.405 1.00 0.00 H new ATOM 0 HG LEU A 20 1.588 -6.748 -9.493 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.989 -5.415 -7.939 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.647 -4.498 -9.425 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.758 -4.130 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.287 -7.027 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.077 -5.722 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.258 -7.243 -7.907 1.00 0.00 H new ATOM 140 N SER A 21 -0.902 -3.377 -11.435 1.00 0.00 N ATOM 141 CA SER A 21 -1.233 -2.133 -12.164 1.00 0.00 C ATOM 142 C SER A 21 -2.372 -1.357 -11.490 1.00 0.00 C ATOM 143 O SER A 21 -2.993 -1.801 -10.546 1.00 0.00 O ATOM 144 CB SER A 21 -1.668 -2.511 -13.572 1.00 0.00 C ATOM 145 OG SER A 21 -2.346 -3.761 -13.535 1.00 0.00 O ATOM 0 H SER A 21 -1.350 -3.489 -10.525 1.00 0.00 H new ATOM 0 HA SER A 21 -0.351 -1.493 -12.171 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.322 -1.741 -13.982 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.800 -2.574 -14.228 1.00 0.00 H new ATOM 0 HG SER A 21 -2.599 -3.969 -12.611 1.00 0.00 H new ATOM 146 N CYS A 22 -2.640 -0.194 -12.020 1.00 0.00 N ATOM 147 CA CYS A 22 -3.732 0.685 -11.511 1.00 0.00 C ATOM 148 C CYS A 22 -4.509 1.164 -12.740 1.00 0.00 C ATOM 149 O CYS A 22 -4.148 2.141 -13.369 1.00 0.00 O ATOM 150 CB CYS A 22 -3.118 1.902 -10.791 1.00 0.00 C ATOM 151 SG CYS A 22 -4.122 2.436 -9.372 1.00 0.00 S ATOM 0 H CYS A 22 -2.129 0.195 -12.812 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.377 0.154 -10.810 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.113 1.652 -10.450 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.019 2.728 -11.496 1.00 0.00 H new ATOM 152 N ALA A 23 -5.546 0.467 -13.118 1.00 0.00 N ATOM 153 CA ALA A 23 -6.306 0.884 -14.331 1.00 0.00 C ATOM 154 C ALA A 23 -6.661 2.363 -14.221 1.00 0.00 C ATOM 155 O ALA A 23 -6.783 2.900 -13.139 1.00 0.00 O ATOM 156 CB ALA A 23 -7.586 0.059 -14.456 1.00 0.00 C ATOM 0 H ALA A 23 -5.897 -0.365 -12.645 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.690 0.719 -15.215 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.134 0.371 -15.345 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.331 -0.998 -14.539 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.207 0.214 -13.574 1.00 0.00 H new ATOM 157 N ALA A 24 -6.830 3.030 -15.330 1.00 0.00 N ATOM 158 CA ALA A 24 -7.175 4.473 -15.267 1.00 0.00 C ATOM 159 C ALA A 24 -7.373 5.070 -16.672 1.00 0.00 C ATOM 160 O ALA A 24 -6.696 4.726 -17.633 1.00 0.00 O ATOM 161 CB ALA A 24 -6.059 5.217 -14.535 1.00 0.00 C ATOM 0 H ALA A 24 -6.744 2.640 -16.268 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.117 4.583 -14.729 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.302 6.278 -14.483 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.957 4.818 -13.526 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.120 5.086 -15.073 1.00 0.00 H new ATOM 162 N SER A 25 -8.304 5.978 -16.794 1.00 0.00 N ATOM 163 CA SER A 25 -8.563 6.619 -18.112 1.00 0.00 C ATOM 164 C SER A 25 -9.100 8.033 -17.886 1.00 0.00 C ATOM 165 O SER A 25 -9.506 8.383 -16.796 1.00 0.00 O ATOM 166 CB SER A 25 -9.592 5.798 -18.886 1.00 0.00 C ATOM 167 OG SER A 25 -9.026 5.385 -20.122 1.00 0.00 O ATOM 0 H SER A 25 -8.899 6.304 -16.032 1.00 0.00 H new ATOM 0 HA SER A 25 -7.637 6.667 -18.685 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.895 4.929 -18.302 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.489 6.391 -19.063 1.00 0.00 H new ATOM 0 HG SER A 25 -9.682 4.856 -20.622 1.00 0.00 H new ATOM 168 N GLY A 26 -9.100 8.853 -18.901 1.00 0.00 N ATOM 169 CA GLY A 26 -9.603 10.245 -18.732 1.00 0.00 C ATOM 170 C GLY A 26 -8.508 11.087 -18.077 1.00 0.00 C ATOM 171 O GLY A 26 -7.828 11.857 -18.728 1.00 0.00 O ATOM 0 H GLY A 26 -8.774 8.619 -19.839 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.877 10.668 -19.699 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.502 10.249 -18.116 1.00 0.00 H new ATOM 172 N PHE A 27 -8.323 10.934 -16.795 1.00 0.00 N ATOM 173 CA PHE A 27 -7.262 11.705 -16.092 1.00 0.00 C ATOM 174 C PHE A 27 -5.899 11.055 -16.380 1.00 0.00 C ATOM 175 O PHE A 27 -4.891 11.458 -15.840 1.00 0.00 O ATOM 176 CB PHE A 27 -7.549 11.686 -14.571 1.00 0.00 C ATOM 177 CG PHE A 27 -6.679 10.647 -13.881 1.00 0.00 C ATOM 178 CD1 PHE A 27 -7.109 9.318 -13.757 1.00 0.00 C ATOM 179 CD2 PHE A 27 -5.418 11.015 -13.402 1.00 0.00 C ATOM 180 CE1 PHE A 27 -6.282 8.373 -13.147 1.00 0.00 C ATOM 181 CE2 PHE A 27 -4.591 10.075 -12.805 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.023 8.747 -12.672 1.00 0.00 C ATOM 0 H PHE A 27 -8.864 10.305 -16.202 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.249 12.737 -16.442 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.357 12.671 -14.146 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.601 11.463 -14.396 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.078 9.026 -14.133 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.086 12.038 -13.498 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.616 7.351 -13.042 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.616 10.365 -12.443 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.383 8.015 -12.203 1.00 0.00 H new ATOM 183 N THR A 28 -5.878 10.027 -17.189 1.00 0.00 N ATOM 184 CA THR A 28 -4.603 9.311 -17.474 1.00 0.00 C ATOM 185 C THR A 28 -4.058 8.755 -16.152 1.00 0.00 C ATOM 186 O THR A 28 -4.744 8.029 -15.461 1.00 0.00 O ATOM 187 CB THR A 28 -3.582 10.241 -18.155 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.160 11.255 -17.255 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.223 10.885 -19.384 1.00 0.00 C ATOM 0 H THR A 28 -6.697 9.652 -17.667 1.00 0.00 H new ATOM 0 HA THR A 28 -4.788 8.491 -18.168 1.00 0.00 H new ATOM 0 HB THR A 28 -2.714 9.654 -18.456 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.665 11.180 -16.418 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.502 11.544 -19.867 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.530 10.108 -20.084 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.095 11.463 -19.079 1.00 0.00 H new ATOM 190 N PHE A 29 -2.840 9.058 -15.786 1.00 0.00 N ATOM 191 CA PHE A 29 -2.299 8.503 -14.508 1.00 0.00 C ATOM 192 C PHE A 29 -1.157 9.392 -14.030 1.00 0.00 C ATOM 193 O PHE A 29 -1.031 9.710 -12.865 1.00 0.00 O ATOM 194 CB PHE A 29 -1.755 7.094 -14.747 1.00 0.00 C ATOM 195 CG PHE A 29 -2.438 6.519 -15.949 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.088 6.966 -17.226 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.445 5.574 -15.788 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.750 6.459 -18.339 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.100 5.071 -16.897 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.754 5.511 -18.172 1.00 0.00 C ATOM 0 H PHE A 29 -2.202 9.658 -16.309 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.093 8.468 -13.762 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.677 7.126 -14.903 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.933 6.466 -13.874 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.307 7.702 -17.348 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.715 5.234 -14.799 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.486 6.800 -19.329 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.881 4.336 -16.774 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.268 5.114 -19.035 1.00 0.00 H new ATOM 201 N SER A 30 -0.323 9.792 -14.944 1.00 0.00 N ATOM 202 CA SER A 30 0.829 10.659 -14.594 1.00 0.00 C ATOM 203 C SER A 30 0.446 12.111 -14.851 1.00 0.00 C ATOM 204 O SER A 30 0.920 13.012 -14.191 1.00 0.00 O ATOM 205 CB SER A 30 2.033 10.287 -15.460 1.00 0.00 C ATOM 206 OG SER A 30 3.166 10.084 -14.624 1.00 0.00 O ATOM 0 H SER A 30 -0.393 9.551 -15.933 1.00 0.00 H new ATOM 0 HA SER A 30 1.089 10.523 -13.544 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.820 9.383 -16.030 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.236 11.079 -16.181 1.00 0.00 H new ATOM 0 HG SER A 30 3.940 9.844 -15.175 1.00 0.00 H new ATOM 207 N SER A 31 -0.421 12.344 -15.803 1.00 0.00 N ATOM 208 CA SER A 31 -0.843 13.743 -16.084 1.00 0.00 C ATOM 209 C SER A 31 -1.120 14.430 -14.749 1.00 0.00 C ATOM 210 O SER A 31 -0.731 15.559 -14.525 1.00 0.00 O ATOM 211 CB SER A 31 -2.108 13.743 -16.939 1.00 0.00 C ATOM 212 OG SER A 31 -2.406 15.075 -17.338 1.00 0.00 O ATOM 0 H SER A 31 -0.850 11.630 -16.392 1.00 0.00 H new ATOM 0 HA SER A 31 -0.060 14.272 -16.627 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.968 13.111 -17.816 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.942 13.325 -16.375 1.00 0.00 H new ATOM 0 HG SER A 31 -3.296 15.323 -17.012 1.00 0.00 H new ATOM 213 N TYR A 32 -1.770 13.741 -13.847 1.00 0.00 N ATOM 214 CA TYR A 32 -2.045 14.340 -12.513 1.00 0.00 C ATOM 215 C TYR A 32 -1.291 13.531 -11.457 1.00 0.00 C ATOM 216 O TYR A 32 -0.412 14.038 -10.791 1.00 0.00 O ATOM 217 CB TYR A 32 -3.548 14.305 -12.233 1.00 0.00 C ATOM 218 CG TYR A 32 -4.290 14.687 -13.489 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.331 13.797 -14.565 1.00 0.00 C ATOM 220 CD2 TYR A 32 -4.927 15.930 -13.580 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.012 14.147 -15.737 1.00 0.00 C ATOM 222 CE2 TYR A 32 -5.610 16.281 -14.752 1.00 0.00 C ATOM 223 CZ TYR A 32 -5.652 15.389 -15.831 1.00 0.00 C ATOM 224 OH TYR A 32 -6.323 15.736 -16.985 1.00 0.00 O ATOM 0 H TYR A 32 -2.120 12.792 -13.979 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.713 15.378 -12.488 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.847 13.309 -11.907 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.797 14.993 -11.425 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.837 12.839 -14.493 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.892 16.618 -12.748 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.044 13.459 -16.569 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.104 17.239 -14.823 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.711 16.630 -16.882 1.00 0.00 H new ATOM 225 N ALA A 33 -1.622 12.271 -11.321 1.00 0.00 N ATOM 226 CA ALA A 33 -0.930 11.394 -10.331 1.00 0.00 C ATOM 227 C ALA A 33 -1.869 10.255 -9.929 1.00 0.00 C ATOM 228 O ALA A 33 -3.020 10.222 -10.308 1.00 0.00 O ATOM 229 CB ALA A 33 -0.556 12.199 -9.084 1.00 0.00 C ATOM 0 H ALA A 33 -2.352 11.808 -11.862 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.023 10.992 -10.782 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.052 11.549 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.110 13.015 -9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.459 12.607 -8.630 1.00 0.00 H new ATOM 230 N MET A 34 -1.392 9.323 -9.158 1.00 0.00 N ATOM 231 CA MET A 34 -2.254 8.199 -8.722 1.00 0.00 C ATOM 232 C MET A 34 -1.441 7.293 -7.801 1.00 0.00 C ATOM 233 O MET A 34 -0.374 6.836 -8.145 1.00 0.00 O ATOM 234 CB MET A 34 -2.769 7.402 -9.935 1.00 0.00 C ATOM 235 CG MET A 34 -1.765 7.443 -11.102 1.00 0.00 C ATOM 236 SD MET A 34 -0.321 6.395 -10.765 1.00 0.00 S ATOM 237 CE MET A 34 -1.189 4.975 -10.055 1.00 0.00 C ATOM 0 H MET A 34 -0.434 9.293 -8.809 1.00 0.00 H new ATOM 0 HA MET A 34 -3.121 8.591 -8.190 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.948 6.367 -9.643 1.00 0.00 H new ATOM 0 HB3 MET A 34 -3.725 7.811 -10.261 1.00 0.00 H new ATOM 0 HG2 MET A 34 -2.254 7.109 -12.017 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.441 8.470 -11.270 1.00 0.00 H new ATOM 0 HE1 MET A 34 -0.486 4.154 -9.910 1.00 0.00 H new ATOM 0 HE2 MET A 34 -1.622 5.256 -9.095 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.982 4.658 -10.732 1.00 0.00 H new ATOM 238 N SER A 35 -1.933 7.006 -6.636 1.00 0.00 N ATOM 239 CA SER A 35 -1.171 6.103 -5.744 1.00 0.00 C ATOM 240 C SER A 35 -1.922 4.821 -5.724 1.00 0.00 C ATOM 241 O SER A 35 -3.041 4.776 -6.185 1.00 0.00 O ATOM 242 CB SER A 35 -1.064 6.665 -4.337 1.00 0.00 C ATOM 243 OG SER A 35 -1.315 5.635 -3.388 1.00 0.00 O ATOM 0 H SER A 35 -2.818 7.352 -6.266 1.00 0.00 H new ATOM 0 HA SER A 35 -0.151 5.977 -6.106 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.071 7.085 -4.178 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.779 7.477 -4.204 1.00 0.00 H new ATOM 0 HG SER A 35 -1.244 6.001 -2.482 1.00 0.00 H new ATOM 244 N TRP A 36 -1.364 3.759 -5.248 1.00 0.00 N ATOM 245 CA TRP A 36 -2.176 2.551 -5.324 1.00 0.00 C ATOM 246 C TRP A 36 -1.548 1.369 -4.587 1.00 0.00 C ATOM 247 O TRP A 36 -0.321 1.200 -4.537 1.00 0.00 O ATOM 248 CB TRP A 36 -2.393 2.289 -6.812 1.00 0.00 C ATOM 249 CG TRP A 36 -1.359 1.408 -7.359 1.00 0.00 C ATOM 250 CD1 TRP A 36 -0.173 1.804 -7.868 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.416 -0.025 -7.484 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.481 0.694 -8.329 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.240 -0.465 -8.114 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.383 -0.973 -7.118 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.024 -1.816 -8.382 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.173 -2.326 -7.371 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.002 -2.750 -8.004 1.00 0.00 C ATOM 0 H TRP A 36 -0.435 3.679 -4.834 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.130 2.686 -4.815 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.374 1.838 -6.964 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.390 3.235 -7.353 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.195 2.819 -7.905 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.396 0.719 -8.780 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.295 -0.652 -6.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.882 -2.139 -8.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.918 -3.050 -7.077 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.848 -3.800 -8.203 1.00 0.00 H new ATOM 258 N VAL A 37 -2.445 0.589 -3.999 1.00 0.00 N ATOM 259 CA VAL A 37 -2.112 -0.619 -3.186 1.00 0.00 C ATOM 260 C VAL A 37 -2.626 -0.368 -1.758 1.00 0.00 C ATOM 261 O VAL A 37 -3.145 0.672 -1.530 1.00 0.00 O ATOM 262 CB VAL A 37 -0.605 -0.856 -3.184 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.264 -1.885 -2.140 1.00 0.00 C ATOM 264 CG2 VAL A 37 -0.153 -1.348 -4.561 1.00 0.00 C ATOM 0 H VAL A 37 -3.448 0.764 -4.062 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.581 -1.509 -3.606 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.093 0.079 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.812 -2.057 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.578 -1.527 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.779 -2.818 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.924 -1.515 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.663 -2.281 -4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.398 -0.598 -5.314 1.00 0.00 H new ATOM 265 N ARG A 38 -2.506 -1.317 -0.825 1.00 0.00 N ATOM 266 CA ARG A 38 -2.973 -1.129 0.599 1.00 0.00 C ATOM 267 C ARG A 38 -3.918 -2.250 1.048 1.00 0.00 C ATOM 268 O ARG A 38 -5.109 -2.051 1.169 1.00 0.00 O ATOM 269 CB ARG A 38 -3.657 0.223 0.859 1.00 0.00 C ATOM 270 CG ARG A 38 -2.648 1.189 1.493 1.00 0.00 C ATOM 271 CD ARG A 38 -1.994 2.057 0.415 1.00 0.00 C ATOM 272 NE ARG A 38 -1.506 3.326 1.030 1.00 0.00 N ATOM 273 CZ ARG A 38 -0.260 3.438 1.408 1.00 0.00 C ATOM 274 NH1 ARG A 38 0.157 2.816 2.477 1.00 0.00 N ATOM 275 NH2 ARG A 38 0.567 4.179 0.720 1.00 0.00 N ATOM 0 H ARG A 38 -2.093 -2.232 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.055 -1.158 1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.036 0.637 -0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.514 0.089 1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.151 1.822 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.884 0.627 2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.164 1.521 -0.046 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.711 2.276 -0.376 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.147 4.109 1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.490 2.242 3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.130 2.904 2.771 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.240 4.670 -0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.539 4.267 1.015 1.00 0.00 H new ATOM 276 N GLN A 39 -3.387 -3.414 1.343 1.00 0.00 N ATOM 277 CA GLN A 39 -4.240 -4.536 1.832 1.00 0.00 C ATOM 278 C GLN A 39 -3.359 -5.779 1.990 1.00 0.00 C ATOM 279 O GLN A 39 -2.240 -5.808 1.521 1.00 0.00 O ATOM 280 CB GLN A 39 -5.367 -4.794 0.837 1.00 0.00 C ATOM 281 CG GLN A 39 -6.579 -5.375 1.570 1.00 0.00 C ATOM 282 CD GLN A 39 -7.478 -4.231 2.044 1.00 0.00 C ATOM 283 OE1 GLN A 39 -6.996 -3.229 2.535 1.00 0.00 O ATOM 284 NE2 GLN A 39 -8.771 -4.335 1.913 1.00 0.00 N ATOM 0 H GLN A 39 -2.394 -3.632 1.264 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.688 -4.285 2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.643 -3.866 0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.032 -5.485 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.135 -6.040 0.908 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.252 -5.973 2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.176 -5.176 1.501 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -9.378 -3.576 2.222 1.00 0.00 H new ATOM 285 N ALA A 40 -3.827 -6.795 2.668 1.00 0.00 N ATOM 286 CA ALA A 40 -2.971 -7.998 2.853 1.00 0.00 C ATOM 287 C ALA A 40 -3.761 -9.113 3.557 1.00 0.00 C ATOM 288 O ALA A 40 -4.878 -8.906 3.987 1.00 0.00 O ATOM 289 CB ALA A 40 -1.767 -7.599 3.709 1.00 0.00 C ATOM 0 H ALA A 40 -4.752 -6.842 3.095 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.643 -8.371 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.124 -8.466 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.205 -6.813 3.203 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.113 -7.233 4.676 1.00 0.00 H new ATOM 290 N PRO A 41 -3.139 -10.266 3.657 1.00 0.00 N ATOM 291 CA PRO A 41 -3.735 -11.452 4.312 1.00 0.00 C ATOM 292 C PRO A 41 -3.717 -11.257 5.827 1.00 0.00 C ATOM 293 O PRO A 41 -2.893 -11.817 6.523 1.00 0.00 O ATOM 294 CB PRO A 41 -2.794 -12.595 3.905 1.00 0.00 C ATOM 295 CG PRO A 41 -1.447 -11.932 3.542 1.00 0.00 C ATOM 296 CD PRO A 41 -1.774 -10.489 3.134 1.00 0.00 C ATOM 0 HA PRO A 41 -4.770 -11.638 4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.670 -13.307 4.721 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.197 -13.148 3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.763 -11.951 4.391 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.958 -12.465 2.727 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.063 -9.783 3.563 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.736 -10.363 2.052 1.00 0.00 H new ATOM 297 N GLY A 42 -4.589 -10.432 6.345 1.00 0.00 N ATOM 298 CA GLY A 42 -4.572 -10.176 7.812 1.00 0.00 C ATOM 299 C GLY A 42 -3.183 -9.689 8.186 1.00 0.00 C ATOM 300 O GLY A 42 -2.801 -9.673 9.340 1.00 0.00 O ATOM 0 H GLY A 42 -5.305 -9.930 5.820 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.322 -9.431 8.078 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.818 -11.085 8.361 1.00 0.00 H new ATOM 301 N LYS A 43 -2.438 -9.259 7.210 1.00 0.00 N ATOM 302 CA LYS A 43 -1.091 -8.731 7.480 1.00 0.00 C ATOM 303 C LYS A 43 -1.217 -7.217 7.526 1.00 0.00 C ATOM 304 O LYS A 43 -0.247 -6.489 7.455 1.00 0.00 O ATOM 305 CB LYS A 43 -0.141 -9.166 6.355 1.00 0.00 C ATOM 306 CG LYS A 43 1.164 -8.373 6.444 1.00 0.00 C ATOM 307 CD LYS A 43 2.344 -9.300 6.149 1.00 0.00 C ATOM 308 CE LYS A 43 3.623 -8.700 6.738 1.00 0.00 C ATOM 309 NZ LYS A 43 4.699 -8.708 5.707 1.00 0.00 N ATOM 0 H LYS A 43 -2.715 -9.254 6.228 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.688 -9.107 8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.065 -10.233 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.611 -9.002 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.150 -7.547 5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.270 -7.936 7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.162 -10.286 6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.455 -9.435 5.073 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.437 -7.681 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.937 -9.273 7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.503 -8.138 6.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.013 -9.685 5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.333 -8.306 4.820 1.00 0.00 H new ATOM 310 N GLU A 44 -2.427 -6.741 7.660 1.00 0.00 N ATOM 311 CA GLU A 44 -2.645 -5.281 7.729 1.00 0.00 C ATOM 312 C GLU A 44 -2.410 -4.672 6.344 1.00 0.00 C ATOM 313 O GLU A 44 -1.742 -5.252 5.512 1.00 0.00 O ATOM 314 CB GLU A 44 -1.657 -4.723 8.738 1.00 0.00 C ATOM 315 CG GLU A 44 -2.403 -3.929 9.807 1.00 0.00 C ATOM 316 CD GLU A 44 -1.696 -2.594 10.041 1.00 0.00 C ATOM 317 OE1 GLU A 44 -0.741 -2.578 10.800 1.00 0.00 O ATOM 318 OE2 GLU A 44 -2.120 -1.610 9.457 1.00 0.00 O ATOM 0 H GLU A 44 -3.272 -7.309 7.724 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.663 -5.043 8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.097 -5.536 9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.932 -4.082 8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.433 -3.757 9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.443 -4.498 10.736 1.00 0.00 H new ATOM 319 N ARG A 45 -2.959 -3.516 6.082 1.00 0.00 N ATOM 320 CA ARG A 45 -2.764 -2.898 4.740 1.00 0.00 C ATOM 321 C ARG A 45 -1.298 -2.960 4.352 1.00 0.00 C ATOM 322 O ARG A 45 -0.452 -3.387 5.111 1.00 0.00 O ATOM 323 CB ARG A 45 -3.152 -1.427 4.763 1.00 0.00 C ATOM 324 CG ARG A 45 -4.534 -1.238 4.139 1.00 0.00 C ATOM 325 CD ARG A 45 -5.100 0.123 4.551 1.00 0.00 C ATOM 326 NE ARG A 45 -6.231 -0.075 5.501 1.00 0.00 N ATOM 327 CZ ARG A 45 -7.463 -0.010 5.073 1.00 0.00 C ATOM 328 NH1 ARG A 45 -7.748 -0.363 3.849 1.00 0.00 N ATOM 329 NH2 ARG A 45 -8.409 0.409 5.867 1.00 0.00 N ATOM 0 H ARG A 45 -3.529 -2.977 6.734 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.386 -3.446 4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.155 -1.060 5.789 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.414 -0.840 4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.466 -1.301 3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.203 -2.035 4.463 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.321 0.726 5.017 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.442 0.668 3.671 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.043 -0.261 6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.008 -0.690 3.227 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.710 -0.312 3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.187 0.686 6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.371 0.459 5.532 1.00 0.00 H new ATOM 330 N GLU A 46 -0.992 -2.515 3.174 1.00 0.00 N ATOM 331 CA GLU A 46 0.413 -2.526 2.727 1.00 0.00 C ATOM 332 C GLU A 46 0.484 -1.942 1.322 1.00 0.00 C ATOM 333 O GLU A 46 -0.044 -2.509 0.383 1.00 0.00 O ATOM 334 CB GLU A 46 0.906 -3.965 2.726 1.00 0.00 C ATOM 335 CG GLU A 46 2.435 -3.990 2.798 1.00 0.00 C ATOM 336 CD GLU A 46 3.015 -3.904 1.385 1.00 0.00 C ATOM 337 OE1 GLU A 46 2.253 -4.048 0.444 1.00 0.00 O ATOM 338 OE2 GLU A 46 4.211 -3.695 1.270 1.00 0.00 O ATOM 0 H GLU A 46 -1.660 -2.143 2.500 1.00 0.00 H new ATOM 0 HA GLU A 46 1.038 -1.930 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.484 -4.504 3.574 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.567 -4.474 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.795 -3.157 3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.772 -4.905 3.285 1.00 0.00 H new ATOM 339 N ILE A 47 1.122 -0.807 1.176 1.00 0.00 N ATOM 340 CA ILE A 47 1.228 -0.179 -0.169 1.00 0.00 C ATOM 341 C ILE A 47 2.268 -0.909 -0.989 1.00 0.00 C ATOM 342 O ILE A 47 3.045 -1.692 -0.479 1.00 0.00 O ATOM 343 CB ILE A 47 1.692 1.274 -0.066 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.196 2.005 -1.334 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.230 1.314 0.037 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.360 2.407 -2.271 1.00 0.00 C ATOM 0 H ILE A 47 1.572 -0.291 1.932 1.00 0.00 H new ATOM 0 HA ILE A 47 0.241 -0.228 -0.629 1.00 0.00 H new ATOM 0 HB ILE A 47 1.289 1.762 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.503 1.361 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.641 2.897 -1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.563 2.349 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.550 0.766 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.666 0.855 -0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.962 2.917 -3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.040 3.074 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.899 1.513 -2.585 1.00 0.00 H new ATOM 347 N VAL A 48 2.352 -0.591 -2.240 1.00 0.00 N ATOM 348 CA VAL A 48 3.409 -1.191 -3.058 1.00 0.00 C ATOM 349 C VAL A 48 3.982 -0.090 -3.957 1.00 0.00 C ATOM 350 O VAL A 48 5.161 -0.078 -4.225 1.00 0.00 O ATOM 351 CB VAL A 48 2.895 -2.392 -3.851 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.068 -3.098 -4.497 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.263 -3.403 -2.908 1.00 0.00 C ATOM 0 H VAL A 48 1.733 0.058 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 48 4.202 -1.588 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 48 2.176 -2.035 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.708 -3.956 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.583 -2.410 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.759 -3.437 -3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.899 -4.256 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.006 -3.741 -2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.430 -2.938 -2.381 1.00 0.00 H new ATOM 354 N SER A 49 3.200 0.890 -4.386 1.00 0.00 N ATOM 355 CA SER A 49 3.845 1.970 -5.199 1.00 0.00 C ATOM 356 C SER A 49 2.841 3.042 -5.642 1.00 0.00 C ATOM 357 O SER A 49 1.640 2.841 -5.622 1.00 0.00 O ATOM 358 CB SER A 49 4.530 1.352 -6.412 1.00 0.00 C ATOM 359 OG SER A 49 5.937 1.501 -6.286 1.00 0.00 O ATOM 0 H SER A 49 2.198 0.982 -4.217 1.00 0.00 H new ATOM 0 HA SER A 49 4.583 2.467 -4.570 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.271 0.296 -6.491 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.182 1.835 -7.325 1.00 0.00 H new ATOM 0 HG SER A 49 6.155 2.446 -6.146 1.00 0.00 H new ATOM 360 N ALA A 50 3.340 4.201 -6.021 1.00 0.00 N ATOM 361 CA ALA A 50 2.425 5.308 -6.448 1.00 0.00 C ATOM 362 C ALA A 50 3.166 6.383 -7.256 1.00 0.00 C ATOM 363 O ALA A 50 4.354 6.305 -7.495 1.00 0.00 O ATOM 364 CB ALA A 50 1.856 5.974 -5.205 1.00 0.00 C ATOM 0 H ALA A 50 4.335 4.424 -6.052 1.00 0.00 H new ATOM 0 HA ALA A 50 1.644 4.875 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.187 6.783 -5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.302 5.240 -4.620 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.670 6.377 -4.603 1.00 0.00 H new ATOM 365 N VAL A 51 2.441 7.403 -7.653 1.00 0.00 N ATOM 366 CA VAL A 51 3.035 8.534 -8.426 1.00 0.00 C ATOM 367 C VAL A 51 2.340 9.824 -7.970 1.00 0.00 C ATOM 368 O VAL A 51 1.365 10.250 -8.552 1.00 0.00 O ATOM 369 CB VAL A 51 2.786 8.316 -9.920 1.00 0.00 C ATOM 370 CG1 VAL A 51 3.243 9.547 -10.705 1.00 0.00 C ATOM 371 CG2 VAL A 51 3.568 7.089 -10.394 1.00 0.00 C ATOM 0 H VAL A 51 1.442 7.498 -7.468 1.00 0.00 H new ATOM 0 HA VAL A 51 4.110 8.597 -8.255 1.00 0.00 H new ATOM 0 HB VAL A 51 1.721 8.157 -10.088 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.064 9.388 -11.768 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.684 10.421 -10.370 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.307 9.711 -10.537 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.391 6.933 -11.458 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.633 7.248 -10.223 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.238 6.211 -9.839 1.00 0.00 H new ATOM 372 N SER A 52 2.808 10.428 -6.910 1.00 0.00 N ATOM 373 CA SER A 52 2.137 11.664 -6.395 1.00 0.00 C ATOM 374 C SER A 52 2.542 12.903 -7.200 1.00 0.00 C ATOM 375 O SER A 52 3.701 13.123 -7.495 1.00 0.00 O ATOM 376 CB SER A 52 2.517 11.868 -4.927 1.00 0.00 C ATOM 377 OG SER A 52 1.343 11.829 -4.128 1.00 0.00 O ATOM 0 H SER A 52 3.623 10.123 -6.378 1.00 0.00 H new ATOM 0 HA SER A 52 1.060 11.533 -6.496 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.213 11.092 -4.609 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.025 12.824 -4.800 1.00 0.00 H new ATOM 0 HG SER A 52 1.583 11.958 -3.187 1.00 0.00 H new ATOM 378 N GLY A 53 1.580 13.722 -7.539 1.00 0.00 N ATOM 379 CA GLY A 53 1.871 14.967 -8.308 1.00 0.00 C ATOM 380 C GLY A 53 2.284 14.605 -9.729 1.00 0.00 C ATOM 381 O GLY A 53 2.112 13.483 -10.163 1.00 0.00 O ATOM 0 H GLY A 53 0.596 13.579 -7.313 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.990 15.609 -8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.666 15.531 -7.820 1.00 0.00 H new ATOM 382 N SER A 54 2.843 15.538 -10.455 1.00 0.00 N ATOM 383 CA SER A 54 3.281 15.225 -11.843 1.00 0.00 C ATOM 384 C SER A 54 4.019 13.890 -11.812 1.00 0.00 C ATOM 385 O SER A 54 4.063 13.159 -12.782 1.00 0.00 O ATOM 386 CB SER A 54 4.219 16.322 -12.355 1.00 0.00 C ATOM 387 OG SER A 54 4.204 17.417 -11.449 1.00 0.00 O ATOM 0 H SER A 54 3.013 16.496 -10.148 1.00 0.00 H new ATOM 0 HA SER A 54 2.419 15.170 -12.508 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.232 15.932 -12.455 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.905 16.651 -13.346 1.00 0.00 H new ATOM 0 HG SER A 54 4.805 18.119 -11.774 1.00 0.00 H new ATOM 388 N GLY A 55 4.586 13.568 -10.682 1.00 0.00 N ATOM 389 CA GLY A 55 5.313 12.282 -10.539 1.00 0.00 C ATOM 390 C GLY A 55 6.520 12.488 -9.623 1.00 0.00 C ATOM 391 O GLY A 55 7.136 11.543 -9.172 1.00 0.00 O ATOM 0 H GLY A 55 4.575 14.150 -9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.652 11.521 -10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.639 11.924 -11.516 1.00 0.00 H new ATOM 392 N GLY A 56 6.858 13.719 -9.337 1.00 0.00 N ATOM 393 CA GLY A 56 8.020 13.984 -8.441 1.00 0.00 C ATOM 394 C GLY A 56 7.953 13.028 -7.252 1.00 0.00 C ATOM 395 O GLY A 56 8.959 12.593 -6.730 1.00 0.00 O ATOM 0 H GLY A 56 6.380 14.550 -9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.955 13.846 -8.984 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.002 15.018 -8.096 1.00 0.00 H new ATOM 396 N SER A 57 6.765 12.688 -6.833 1.00 0.00 N ATOM 397 CA SER A 57 6.616 11.746 -5.692 1.00 0.00 C ATOM 398 C SER A 57 6.296 10.360 -6.248 1.00 0.00 C ATOM 399 O SER A 57 5.752 10.225 -7.326 1.00 0.00 O ATOM 400 CB SER A 57 5.478 12.212 -4.787 1.00 0.00 C ATOM 401 OG SER A 57 6.000 13.057 -3.771 1.00 0.00 O ATOM 0 H SER A 57 5.889 13.024 -7.234 1.00 0.00 H new ATOM 0 HA SER A 57 7.538 11.712 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.729 12.747 -5.371 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.979 11.352 -4.340 1.00 0.00 H new ATOM 0 HG SER A 57 5.271 13.359 -3.190 1.00 0.00 H new ATOM 402 N THR A 58 6.625 9.330 -5.526 1.00 0.00 N ATOM 403 CA THR A 58 6.345 7.957 -6.018 1.00 0.00 C ATOM 404 C THR A 58 6.478 7.004 -4.843 1.00 0.00 C ATOM 405 O THR A 58 7.380 7.125 -4.038 1.00 0.00 O ATOM 406 CB THR A 58 7.355 7.578 -7.104 1.00 0.00 C ATOM 407 OG1 THR A 58 8.652 8.006 -6.713 1.00 0.00 O ATOM 408 CG2 THR A 58 6.971 8.251 -8.423 1.00 0.00 C ATOM 0 H THR A 58 7.077 9.380 -4.613 1.00 0.00 H new ATOM 0 HA THR A 58 5.342 7.904 -6.442 1.00 0.00 H new ATOM 0 HB THR A 58 7.353 6.496 -7.238 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.306 7.311 -6.934 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.692 7.979 -9.194 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.977 7.921 -8.724 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.970 9.333 -8.293 1.00 0.00 H new ATOM 409 N TYR A 59 5.587 6.074 -4.714 1.00 0.00 N ATOM 410 CA TYR A 59 5.683 5.154 -3.560 1.00 0.00 C ATOM 411 C TYR A 59 6.302 3.830 -3.966 1.00 0.00 C ATOM 412 O TYR A 59 6.335 3.466 -5.124 1.00 0.00 O ATOM 413 CB TYR A 59 4.314 4.910 -2.989 1.00 0.00 C ATOM 414 CG TYR A 59 4.296 5.423 -1.581 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.344 6.799 -1.336 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.240 4.520 -0.526 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.330 7.269 -0.016 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.226 4.980 0.791 1.00 0.00 C ATOM 419 CZ TYR A 59 4.271 6.357 1.050 1.00 0.00 C ATOM 420 OH TYR A 59 4.255 6.817 2.351 1.00 0.00 O ATOM 0 H TYR A 59 4.805 5.911 -5.348 1.00 0.00 H new ATOM 0 HA TYR A 59 6.321 5.619 -2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.557 5.416 -3.588 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.078 3.846 -3.009 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.392 7.496 -2.160 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.207 3.459 -0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.365 8.330 0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.181 4.277 1.609 1.00 0.00 H new ATOM 0 HH TYR A 59 4.211 6.056 2.967 1.00 0.00 H new ATOM 421 N TYR A 60 6.824 3.127 -2.998 1.00 0.00 N ATOM 422 CA TYR A 60 7.496 1.828 -3.264 1.00 0.00 C ATOM 423 C TYR A 60 7.275 0.890 -2.080 1.00 0.00 C ATOM 424 O TYR A 60 8.219 0.383 -1.505 1.00 0.00 O ATOM 425 CB TYR A 60 9.000 2.065 -3.388 1.00 0.00 C ATOM 426 CG TYR A 60 9.299 2.978 -4.548 1.00 0.00 C ATOM 427 CD1 TYR A 60 8.898 4.312 -4.505 1.00 0.00 C ATOM 428 CD2 TYR A 60 9.984 2.488 -5.663 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.176 5.163 -5.578 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.267 3.331 -6.738 1.00 0.00 C ATOM 431 CZ TYR A 60 9.863 4.673 -6.699 1.00 0.00 C ATOM 432 OH TYR A 60 10.139 5.510 -7.760 1.00 0.00 O ATOM 0 H TYR A 60 6.812 3.406 -2.017 1.00 0.00 H new ATOM 0 HA TYR A 60 7.090 1.394 -4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.382 2.503 -2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.513 1.113 -3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.371 4.689 -3.641 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.295 1.454 -5.693 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.863 6.196 -5.544 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.796 2.950 -7.599 1.00 0.00 H new ATOM 0 HH TYR A 60 10.621 5.012 -8.453 1.00 0.00 H new ATOM 433 N ALA A 61 6.058 0.650 -1.695 1.00 0.00 N ATOM 434 CA ALA A 61 5.837 -0.255 -0.534 1.00 0.00 C ATOM 435 C ALA A 61 6.501 0.349 0.706 1.00 0.00 C ATOM 436 O ALA A 61 6.830 1.519 0.734 1.00 0.00 O ATOM 437 CB ALA A 61 6.472 -1.616 -0.835 1.00 0.00 C ATOM 0 H ALA A 61 5.216 1.033 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 61 4.769 -0.377 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.315 -2.286 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.012 -2.043 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.541 -1.489 -1.004 1.00 0.00 H new ATOM 438 N ASP A 62 6.704 -0.433 1.732 1.00 0.00 N ATOM 439 CA ASP A 62 7.348 0.110 2.961 1.00 0.00 C ATOM 440 C ASP A 62 8.752 -0.483 3.112 1.00 0.00 C ATOM 441 O ASP A 62 9.592 0.059 3.803 1.00 0.00 O ATOM 442 CB ASP A 62 6.504 -0.257 4.182 1.00 0.00 C ATOM 443 CG ASP A 62 6.555 0.885 5.197 1.00 0.00 C ATOM 444 OD1 ASP A 62 7.530 0.960 5.926 1.00 0.00 O ATOM 445 OD2 ASP A 62 5.618 1.665 5.228 1.00 0.00 O ATOM 0 H ASP A 62 6.453 -1.421 1.772 1.00 0.00 H new ATOM 0 HA ASP A 62 7.422 1.195 2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.473 -0.446 3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.878 -1.176 4.633 1.00 0.00 H new ATOM 446 N SER A 63 9.016 -1.590 2.471 1.00 0.00 N ATOM 447 CA SER A 63 10.367 -2.214 2.578 1.00 0.00 C ATOM 448 C SER A 63 11.012 -2.275 1.198 1.00 0.00 C ATOM 449 O SER A 63 12.045 -2.888 1.013 1.00 0.00 O ATOM 450 CB SER A 63 10.234 -3.637 3.107 1.00 0.00 C ATOM 451 OG SER A 63 9.020 -3.760 3.836 1.00 0.00 O ATOM 0 H SER A 63 8.354 -2.090 1.877 1.00 0.00 H new ATOM 0 HA SER A 63 10.979 -1.617 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.247 -4.347 2.280 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.082 -3.879 3.748 1.00 0.00 H new ATOM 0 HG SER A 63 8.933 -4.675 4.175 1.00 0.00 H new ATOM 452 N VAL A 64 10.410 -1.660 0.225 1.00 0.00 N ATOM 453 CA VAL A 64 10.990 -1.703 -1.141 1.00 0.00 C ATOM 454 C VAL A 64 11.257 -0.274 -1.617 1.00 0.00 C ATOM 455 O VAL A 64 11.179 0.031 -2.790 1.00 0.00 O ATOM 456 CB VAL A 64 10.016 -2.396 -2.094 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.812 -3.195 -3.122 1.00 0.00 C ATOM 458 CG2 VAL A 64 9.109 -3.349 -1.309 1.00 0.00 C ATOM 0 H VAL A 64 9.543 -1.130 0.315 1.00 0.00 H new ATOM 0 HA VAL A 64 11.926 -2.262 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 64 9.403 -1.647 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.125 -3.693 -3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.460 -2.522 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.420 -3.941 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.417 -3.840 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.718 -4.101 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.545 -2.785 -0.566 1.00 0.00 H new ATOM 459 N LYS A 65 11.563 0.604 -0.702 1.00 0.00 N ATOM 460 CA LYS A 65 11.830 2.022 -1.073 1.00 0.00 C ATOM 461 C LYS A 65 12.941 2.099 -2.122 1.00 0.00 C ATOM 462 O LYS A 65 13.004 3.033 -2.898 1.00 0.00 O ATOM 463 CB LYS A 65 12.265 2.794 0.175 1.00 0.00 C ATOM 464 CG LYS A 65 13.543 2.168 0.738 1.00 0.00 C ATOM 465 CD LYS A 65 13.247 1.553 2.108 1.00 0.00 C ATOM 466 CE LYS A 65 13.181 0.030 1.981 1.00 0.00 C ATOM 467 NZ LYS A 65 14.137 -0.590 2.940 1.00 0.00 N ATOM 0 H LYS A 65 11.640 0.398 0.294 1.00 0.00 H new ATOM 0 HA LYS A 65 10.920 2.457 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.438 3.841 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.474 2.771 0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.917 1.403 0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.323 2.924 0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.022 1.836 2.820 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.303 1.937 2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.168 -0.319 2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.424 -0.272 0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.092 -1.625 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.102 -0.266 2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.885 -0.312 3.910 1.00 0.00 H new ATOM 468 N GLY A 66 13.826 1.140 -2.149 1.00 0.00 N ATOM 469 CA GLY A 66 14.935 1.186 -3.146 1.00 0.00 C ATOM 470 C GLY A 66 14.942 -0.089 -3.993 1.00 0.00 C ATOM 471 O GLY A 66 15.971 -0.700 -4.199 1.00 0.00 O ATOM 0 H GLY A 66 13.830 0.331 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.818 2.058 -3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.890 1.295 -2.633 1.00 0.00 H new ATOM 472 N ARG A 67 13.804 -0.495 -4.489 1.00 0.00 N ATOM 473 CA ARG A 67 13.755 -1.730 -5.322 1.00 0.00 C ATOM 474 C ARG A 67 12.321 -1.957 -5.798 1.00 0.00 C ATOM 475 O ARG A 67 11.830 -3.067 -5.815 1.00 0.00 O ATOM 476 CB ARG A 67 14.208 -2.922 -4.477 1.00 0.00 C ATOM 477 CG ARG A 67 15.515 -3.475 -5.045 1.00 0.00 C ATOM 478 CD ARG A 67 15.445 -5.004 -5.097 1.00 0.00 C ATOM 479 NE ARG A 67 16.027 -5.484 -6.382 1.00 0.00 N ATOM 480 CZ ARG A 67 16.876 -6.477 -6.384 1.00 0.00 C ATOM 481 NH1 ARG A 67 16.506 -7.653 -5.954 1.00 0.00 N ATOM 482 NH2 ARG A 67 18.094 -6.294 -6.818 1.00 0.00 N ATOM 0 H ARG A 67 12.909 -0.026 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 67 14.413 -1.623 -6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.349 -2.615 -3.441 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.441 -3.696 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.688 -3.074 -6.044 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.355 -3.160 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.990 -5.433 -4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.410 -5.335 -5.008 1.00 0.00 H new ATOM 0 HE ARG A 67 15.763 -5.037 -7.260 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.554 -7.796 -5.617 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.169 -8.428 -5.956 1.00 0.00 H new ATOM 0 HH21 ARG A 67 18.383 -5.376 -7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.757 -7.069 -6.819 1.00 0.00 H new ATOM 483 N PHE A 68 11.643 -0.906 -6.169 1.00 0.00 N ATOM 484 CA PHE A 68 10.229 -1.040 -6.622 1.00 0.00 C ATOM 485 C PHE A 68 10.000 -0.100 -7.812 1.00 0.00 C ATOM 486 O PHE A 68 10.752 0.832 -8.014 1.00 0.00 O ATOM 487 CB PHE A 68 9.336 -0.609 -5.467 1.00 0.00 C ATOM 488 CG PHE A 68 8.534 -1.759 -4.912 1.00 0.00 C ATOM 489 CD1 PHE A 68 8.896 -3.098 -5.137 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.406 -1.465 -4.154 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.109 -4.128 -4.603 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.633 -2.485 -3.622 1.00 0.00 C ATOM 493 CZ PHE A 68 6.978 -3.814 -3.844 1.00 0.00 C ATOM 0 H PHE A 68 12.010 0.046 -6.178 1.00 0.00 H new ATOM 0 HA PHE A 68 10.008 -2.065 -6.920 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.950 -0.180 -4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.659 0.175 -5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.776 -3.332 -5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.131 -0.436 -3.979 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.376 -5.160 -4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.760 -2.247 -3.033 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.371 -4.605 -3.429 1.00 0.00 H new ATOM 494 N THR A 69 8.983 -0.319 -8.608 1.00 0.00 N ATOM 495 CA THR A 69 8.775 0.602 -9.764 1.00 0.00 C ATOM 496 C THR A 69 7.287 0.760 -10.105 1.00 0.00 C ATOM 497 O THR A 69 6.601 -0.189 -10.427 1.00 0.00 O ATOM 498 CB THR A 69 9.515 0.050 -10.981 1.00 0.00 C ATOM 499 OG1 THR A 69 9.566 1.043 -11.996 1.00 0.00 O ATOM 500 CG2 THR A 69 8.782 -1.182 -11.507 1.00 0.00 C ATOM 0 H THR A 69 8.305 -1.075 -8.512 1.00 0.00 H new ATOM 0 HA THR A 69 9.163 1.583 -9.490 1.00 0.00 H new ATOM 0 HB THR A 69 10.530 -0.227 -10.695 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.042 0.689 -12.776 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.310 -1.576 -12.375 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.745 -1.944 -10.728 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.767 -0.907 -11.793 1.00 0.00 H new ATOM 501 N ILE A 70 6.806 1.977 -10.074 1.00 0.00 N ATOM 502 CA ILE A 70 5.383 2.260 -10.433 1.00 0.00 C ATOM 503 C ILE A 70 5.307 2.372 -11.970 1.00 0.00 C ATOM 504 O ILE A 70 5.263 3.450 -12.527 1.00 0.00 O ATOM 505 CB ILE A 70 4.976 3.583 -9.769 1.00 0.00 C ATOM 506 CG1 ILE A 70 3.464 3.813 -9.903 1.00 0.00 C ATOM 507 CG2 ILE A 70 5.732 4.727 -10.424 1.00 0.00 C ATOM 508 CD1 ILE A 70 3.090 4.066 -11.363 1.00 0.00 C ATOM 0 H ILE A 70 7.348 2.800 -9.811 1.00 0.00 H new ATOM 0 HA ILE A 70 4.710 1.474 -10.092 1.00 0.00 H new ATOM 0 HB ILE A 70 5.224 3.537 -8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.923 2.944 -9.528 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.164 4.664 -9.292 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.445 5.668 -9.955 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.804 4.572 -10.301 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.490 4.762 -11.486 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.015 4.227 -11.440 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.616 4.949 -11.726 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.372 3.203 -11.966 1.00 0.00 H new ATOM 509 N SER A 71 5.321 1.265 -12.675 1.00 0.00 N ATOM 510 CA SER A 71 5.276 1.346 -14.164 1.00 0.00 C ATOM 511 C SER A 71 3.959 2.002 -14.578 1.00 0.00 C ATOM 512 O SER A 71 3.015 2.040 -13.815 1.00 0.00 O ATOM 513 CB SER A 71 5.386 -0.061 -14.766 1.00 0.00 C ATOM 514 OG SER A 71 6.421 -0.073 -15.739 1.00 0.00 O ATOM 0 H SER A 71 5.361 0.322 -12.287 1.00 0.00 H new ATOM 0 HA SER A 71 6.111 1.942 -14.532 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.598 -0.789 -13.983 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.439 -0.350 -15.222 1.00 0.00 H new ATOM 0 HG SER A 71 6.496 -0.970 -16.125 1.00 0.00 H new ATOM 515 N ARG A 72 3.877 2.542 -15.763 1.00 0.00 N ATOM 516 CA ARG A 72 2.603 3.199 -16.158 1.00 0.00 C ATOM 517 C ARG A 72 2.431 3.223 -17.683 1.00 0.00 C ATOM 518 O ARG A 72 3.386 3.175 -18.432 1.00 0.00 O ATOM 519 CB ARG A 72 2.575 4.626 -15.569 1.00 0.00 C ATOM 520 CG ARG A 72 2.806 5.689 -16.651 1.00 0.00 C ATOM 521 CD ARG A 72 1.464 6.069 -17.280 1.00 0.00 C ATOM 522 NE ARG A 72 1.299 7.549 -17.233 1.00 0.00 N ATOM 523 CZ ARG A 72 1.932 8.303 -18.090 1.00 0.00 C ATOM 524 NH1 ARG A 72 2.942 7.821 -18.761 1.00 0.00 N ATOM 525 NH2 ARG A 72 1.555 9.538 -18.274 1.00 0.00 N ATOM 0 H ARG A 72 4.621 2.557 -16.461 1.00 0.00 H new ATOM 0 HA ARG A 72 1.766 2.626 -15.759 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.614 4.802 -15.085 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.341 4.717 -14.799 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.280 6.570 -16.217 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.483 5.306 -17.414 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.421 5.719 -18.312 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.648 5.584 -16.745 1.00 0.00 H new ATOM 0 HE ARG A 72 0.692 7.973 -16.532 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.237 6.855 -18.616 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.437 8.410 -19.431 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.766 9.914 -17.748 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.049 10.128 -18.944 1.00 0.00 H new ATOM 526 N ASP A 73 1.203 3.307 -18.138 1.00 0.00 N ATOM 527 CA ASP A 73 0.947 3.349 -19.600 1.00 0.00 C ATOM 528 C ASP A 73 -0.068 4.468 -19.904 1.00 0.00 C ATOM 529 O ASP A 73 -1.273 4.322 -19.721 1.00 0.00 O ATOM 530 CB ASP A 73 0.425 1.988 -20.059 1.00 0.00 C ATOM 531 CG ASP A 73 1.613 1.070 -20.352 1.00 0.00 C ATOM 532 OD1 ASP A 73 2.583 1.136 -19.615 1.00 0.00 O ATOM 533 OD2 ASP A 73 1.534 0.317 -21.310 1.00 0.00 O ATOM 0 H ASP A 73 0.369 3.348 -17.552 1.00 0.00 H new ATOM 0 HA ASP A 73 1.868 3.563 -20.142 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.209 1.549 -19.288 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.191 2.103 -20.951 1.00 0.00 H new ATOM 534 N ASN A 74 0.455 5.595 -20.331 1.00 0.00 N ATOM 535 CA ASN A 74 -0.364 6.810 -20.642 1.00 0.00 C ATOM 536 C ASN A 74 -1.458 6.541 -21.682 1.00 0.00 C ATOM 537 O ASN A 74 -2.635 6.562 -21.378 1.00 0.00 O ATOM 538 CB ASN A 74 0.571 7.870 -21.211 1.00 0.00 C ATOM 539 CG ASN A 74 -0.192 9.183 -21.400 1.00 0.00 C ATOM 540 OD1 ASN A 74 -1.337 9.182 -21.807 1.00 0.00 O ATOM 541 ND2 ASN A 74 0.398 10.313 -21.118 1.00 0.00 N ATOM 0 H ASN A 74 1.455 5.725 -20.482 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.852 7.128 -19.720 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.415 8.022 -20.539 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.979 7.535 -22.165 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.102 11.194 -21.239 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.359 10.315 -20.776 1.00 0.00 H new ATOM 542 N SER A 75 -1.084 6.339 -22.920 1.00 0.00 N ATOM 543 CA SER A 75 -2.106 6.120 -23.990 1.00 0.00 C ATOM 544 C SER A 75 -2.609 4.674 -23.970 1.00 0.00 C ATOM 545 O SER A 75 -2.848 4.075 -24.999 1.00 0.00 O ATOM 546 CB SER A 75 -1.482 6.417 -25.352 1.00 0.00 C ATOM 547 OG SER A 75 -2.426 7.106 -26.162 1.00 0.00 O ATOM 0 H SER A 75 -0.115 6.316 -23.237 1.00 0.00 H new ATOM 0 HA SER A 75 -2.949 6.787 -23.810 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.583 7.020 -25.229 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.179 5.489 -25.836 1.00 0.00 H new ATOM 0 HG SER A 75 -2.028 7.299 -27.036 1.00 0.00 H new ATOM 548 N LYS A 76 -2.772 4.111 -22.810 1.00 0.00 N ATOM 549 CA LYS A 76 -3.256 2.715 -22.714 1.00 0.00 C ATOM 550 C LYS A 76 -4.444 2.656 -21.754 1.00 0.00 C ATOM 551 O LYS A 76 -5.177 1.690 -21.728 1.00 0.00 O ATOM 552 CB LYS A 76 -2.135 1.840 -22.171 1.00 0.00 C ATOM 553 CG LYS A 76 -0.932 1.889 -23.130 1.00 0.00 C ATOM 554 CD LYS A 76 -0.139 3.199 -22.952 1.00 0.00 C ATOM 555 CE LYS A 76 0.143 3.814 -24.324 1.00 0.00 C ATOM 556 NZ LYS A 76 1.581 3.621 -24.667 1.00 0.00 N ATOM 0 H LYS A 76 -2.588 4.565 -21.916 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.562 2.362 -23.699 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.838 2.185 -21.181 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.483 0.813 -22.060 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.279 1.036 -22.945 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.279 1.807 -24.160 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.705 3.899 -22.337 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.798 3.002 -22.430 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.488 3.348 -25.080 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.101 4.876 -24.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.775 4.039 -25.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.174 4.085 -23.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.799 2.604 -24.691 1.00 0.00 H new ATOM 557 N ASN A 77 -4.628 3.682 -20.959 1.00 0.00 N ATOM 558 CA ASN A 77 -5.746 3.701 -20.002 1.00 0.00 C ATOM 559 C ASN A 77 -5.352 2.957 -18.737 1.00 0.00 C ATOM 560 O ASN A 77 -6.200 2.430 -18.060 1.00 0.00 O ATOM 561 CB ASN A 77 -6.995 3.067 -20.621 1.00 0.00 C ATOM 562 CG ASN A 77 -7.149 3.551 -22.066 1.00 0.00 C ATOM 563 OD1 ASN A 77 -6.727 4.744 -22.388 1.00 0.00 O flip ATOM 564 ND2 ASN A 77 -7.657 2.839 -22.908 1.00 0.00 N flip ATOM 0 H ASN A 77 -4.036 4.512 -20.942 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.976 4.737 -19.751 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.915 1.980 -20.597 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.878 3.334 -20.040 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.987 1.907 -22.656 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.754 3.173 -23.867 1.00 0.00 H new ATOM 565 N THR A 78 -4.088 2.939 -18.376 1.00 0.00 N ATOM 566 CA THR A 78 -3.726 2.260 -17.102 1.00 0.00 C ATOM 567 C THR A 78 -2.224 2.185 -16.932 1.00 0.00 C ATOM 568 O THR A 78 -1.458 2.376 -17.856 1.00 0.00 O ATOM 569 CB THR A 78 -4.298 0.852 -17.101 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.761 0.121 -16.007 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.925 0.173 -18.410 1.00 0.00 C ATOM 0 H THR A 78 -3.315 3.354 -18.896 1.00 0.00 H new ATOM 0 HA THR A 78 -4.140 2.838 -16.276 1.00 0.00 H new ATOM 0 HB THR A 78 -5.383 0.889 -17.002 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.341 -0.644 -15.809 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.329 -0.839 -18.423 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.338 0.740 -19.244 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.840 0.131 -18.502 1.00 0.00 H new ATOM 572 N LEU A 79 -1.804 1.904 -15.737 1.00 0.00 N ATOM 573 CA LEU A 79 -0.357 1.804 -15.454 1.00 0.00 C ATOM 574 C LEU A 79 -0.073 0.428 -14.862 1.00 0.00 C ATOM 575 O LEU A 79 -0.971 -0.254 -14.433 1.00 0.00 O ATOM 576 CB LEU A 79 0.014 2.889 -14.452 1.00 0.00 C ATOM 577 CG LEU A 79 -1.056 2.957 -13.374 1.00 0.00 C ATOM 578 CD1 LEU A 79 -0.388 3.179 -12.023 1.00 0.00 C ATOM 579 CD2 LEU A 79 -2.008 4.115 -13.686 1.00 0.00 C ATOM 0 H LEU A 79 -2.412 1.737 -14.935 1.00 0.00 H new ATOM 0 HA LEU A 79 0.228 1.934 -16.364 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.985 2.673 -14.005 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.102 3.852 -14.956 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.622 2.026 -13.346 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.149 3.229 -11.245 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.292 2.353 -11.813 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.172 4.114 -12.043 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.778 4.170 -12.917 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.449 5.050 -13.707 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.476 3.950 -14.657 1.00 0.00 H new ATOM 580 N TYR A 80 1.160 0.013 -14.825 1.00 0.00 N ATOM 581 CA TYR A 80 1.472 -1.324 -14.244 1.00 0.00 C ATOM 582 C TYR A 80 2.648 -1.181 -13.315 1.00 0.00 C ATOM 583 O TYR A 80 3.339 -0.185 -13.308 1.00 0.00 O ATOM 584 CB TYR A 80 1.821 -2.334 -15.343 1.00 0.00 C ATOM 585 CG TYR A 80 1.239 -1.894 -16.665 1.00 0.00 C ATOM 586 CD1 TYR A 80 -0.126 -1.619 -16.773 1.00 0.00 C ATOM 587 CD2 TYR A 80 2.068 -1.774 -17.785 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.666 -1.222 -18.002 1.00 0.00 C ATOM 589 CE2 TYR A 80 1.529 -1.381 -19.016 1.00 0.00 C ATOM 590 CZ TYR A 80 0.160 -1.105 -19.124 1.00 0.00 C ATOM 591 OH TYR A 80 -0.373 -0.718 -20.337 1.00 0.00 O ATOM 0 H TYR A 80 1.964 0.538 -15.170 1.00 0.00 H new ATOM 0 HA TYR A 80 0.596 -1.689 -13.708 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.904 -2.429 -15.428 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.435 -3.318 -15.078 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.765 -1.713 -15.908 1.00 0.00 H new ATOM 0 HD2 TYR A 80 3.124 -1.984 -17.700 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.721 -1.006 -18.084 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.168 -1.291 -19.882 1.00 0.00 H new ATOM 0 HH TYR A 80 0.324 -0.747 -21.025 1.00 0.00 H new ATOM 592 N LEU A 81 2.866 -2.152 -12.501 1.00 0.00 N ATOM 593 CA LEU A 81 3.978 -2.040 -11.550 1.00 0.00 C ATOM 594 C LEU A 81 4.852 -3.281 -11.572 1.00 0.00 C ATOM 595 O LEU A 81 4.436 -4.364 -11.945 1.00 0.00 O ATOM 596 CB LEU A 81 3.439 -1.967 -10.141 1.00 0.00 C ATOM 597 CG LEU A 81 2.743 -0.650 -9.791 1.00 0.00 C ATOM 598 CD1 LEU A 81 3.349 -0.127 -8.479 1.00 0.00 C ATOM 599 CD2 LEU A 81 2.897 0.416 -10.875 1.00 0.00 C ATOM 0 H LEU A 81 2.325 -3.016 -12.452 1.00 0.00 H new ATOM 0 HA LEU A 81 4.544 -1.153 -11.834 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.734 -2.785 -9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.261 -2.124 -9.443 1.00 0.00 H new ATOM 0 HG LEU A 81 1.676 -0.849 -9.696 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.870 0.813 -8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.189 -0.859 -7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.418 0.036 -8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.381 1.326 -10.567 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.955 0.632 -11.025 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.465 0.052 -11.807 1.00 0.00 H new ATOM 600 N GLN A 82 6.037 -3.121 -11.071 1.00 0.00 N ATOM 601 CA GLN A 82 6.970 -4.254 -10.931 1.00 0.00 C ATOM 602 C GLN A 82 7.384 -4.232 -9.453 1.00 0.00 C ATOM 603 O GLN A 82 8.193 -3.415 -9.050 1.00 0.00 O ATOM 604 CB GLN A 82 8.206 -4.062 -11.823 1.00 0.00 C ATOM 605 CG GLN A 82 7.838 -3.287 -13.097 1.00 0.00 C ATOM 606 CD GLN A 82 7.530 -4.269 -14.229 1.00 0.00 C ATOM 607 OE1 GLN A 82 8.251 -5.225 -14.434 1.00 0.00 O ATOM 608 NE2 GLN A 82 6.480 -4.069 -14.979 1.00 0.00 N ATOM 0 H GLN A 82 6.404 -2.227 -10.745 1.00 0.00 H new ATOM 0 HA GLN A 82 6.512 -5.197 -11.229 1.00 0.00 H new ATOM 0 HB2 GLN A 82 8.978 -3.523 -11.273 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.623 -5.033 -12.089 1.00 0.00 H new ATOM 0 HG2 GLN A 82 6.973 -2.651 -12.910 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.660 -2.631 -13.385 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.875 -3.266 -14.806 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.265 -4.716 -15.738 1.00 0.00 H new ATOM 609 N MET A 83 6.803 -5.063 -8.617 1.00 0.00 N ATOM 610 CA MET A 83 7.161 -4.991 -7.159 1.00 0.00 C ATOM 611 C MET A 83 7.711 -6.329 -6.662 1.00 0.00 C ATOM 612 O MET A 83 6.975 -7.235 -6.325 1.00 0.00 O ATOM 613 CB MET A 83 5.932 -4.589 -6.296 1.00 0.00 C ATOM 614 CG MET A 83 4.626 -4.636 -7.103 1.00 0.00 C ATOM 615 SD MET A 83 4.034 -2.950 -7.388 1.00 0.00 S ATOM 616 CE MET A 83 5.640 -2.174 -7.660 1.00 0.00 C ATOM 0 H MET A 83 6.114 -5.771 -8.870 1.00 0.00 H new ATOM 0 HA MET A 83 7.931 -4.227 -7.055 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.854 -5.260 -5.440 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.079 -3.584 -5.901 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.792 -5.141 -8.055 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.873 -5.211 -6.564 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.718 -1.275 -7.049 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.432 -2.870 -7.383 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.742 -1.908 -8.712 1.00 0.00 H new ATOM 617 N ASN A 84 9.009 -6.450 -6.586 1.00 0.00 N ATOM 618 CA ASN A 84 9.612 -7.716 -6.084 1.00 0.00 C ATOM 619 C ASN A 84 9.995 -7.532 -4.613 1.00 0.00 C ATOM 620 O ASN A 84 9.374 -6.778 -3.892 1.00 0.00 O ATOM 621 CB ASN A 84 10.861 -8.054 -6.910 1.00 0.00 C ATOM 622 CG ASN A 84 12.028 -7.160 -6.479 1.00 0.00 C ATOM 623 OD1 ASN A 84 11.835 -6.176 -5.794 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.240 -7.464 -6.857 1.00 0.00 N ATOM 0 H ASN A 84 9.677 -5.726 -6.850 1.00 0.00 H new ATOM 0 HA ASN A 84 8.895 -8.532 -6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.125 -9.103 -6.774 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.655 -7.912 -7.971 1.00 0.00 H new ATOM 0 HD21 ASN A 84 14.024 -6.875 -6.577 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.403 -8.290 -7.432 1.00 0.00 H new ATOM 625 N SER A 85 11.018 -8.211 -4.168 1.00 0.00 N ATOM 626 CA SER A 85 11.463 -8.079 -2.747 1.00 0.00 C ATOM 627 C SER A 85 10.629 -8.987 -1.841 1.00 0.00 C ATOM 628 O SER A 85 11.100 -9.448 -0.819 1.00 0.00 O ATOM 629 CB SER A 85 11.322 -6.628 -2.284 1.00 0.00 C ATOM 630 OG SER A 85 12.213 -6.392 -1.201 1.00 0.00 O ATOM 0 H SER A 85 11.570 -8.857 -4.732 1.00 0.00 H new ATOM 0 HA SER A 85 12.509 -8.378 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.543 -5.948 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.295 -6.431 -1.975 1.00 0.00 H new ATOM 0 HG SER A 85 12.126 -5.463 -0.903 1.00 0.00 H new ATOM 631 N LEU A 86 9.397 -9.255 -2.191 1.00 0.00 N ATOM 632 CA LEU A 86 8.572 -10.143 -1.323 1.00 0.00 C ATOM 633 C LEU A 86 9.365 -11.432 -1.069 1.00 0.00 C ATOM 634 O LEU A 86 10.483 -11.560 -1.526 1.00 0.00 O ATOM 635 CB LEU A 86 7.247 -10.461 -2.016 1.00 0.00 C ATOM 636 CG LEU A 86 6.311 -9.257 -1.890 1.00 0.00 C ATOM 637 CD1 LEU A 86 6.613 -8.251 -3.003 1.00 0.00 C ATOM 638 CD2 LEU A 86 4.860 -9.726 -2.009 1.00 0.00 C ATOM 0 H LEU A 86 8.933 -8.902 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 86 8.351 -9.651 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.419 -10.694 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.789 -11.341 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 86 6.463 -8.781 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.945 -7.395 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.647 -7.915 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.463 -8.725 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.192 -8.869 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.710 -10.203 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.642 -10.440 -1.215 1.00 0.00 H new ATOM 639 N ARG A 87 8.837 -12.392 -0.347 1.00 0.00 N ATOM 640 CA ARG A 87 9.660 -13.617 -0.115 1.00 0.00 C ATOM 641 C ARG A 87 8.816 -14.860 0.189 1.00 0.00 C ATOM 642 O ARG A 87 9.008 -15.510 1.198 1.00 0.00 O ATOM 643 CB ARG A 87 10.611 -13.370 1.053 1.00 0.00 C ATOM 644 CG ARG A 87 9.818 -13.384 2.360 1.00 0.00 C ATOM 645 CD ARG A 87 10.007 -12.050 3.086 1.00 0.00 C ATOM 646 NE ARG A 87 9.204 -12.046 4.342 1.00 0.00 N ATOM 647 CZ ARG A 87 9.737 -12.464 5.458 1.00 0.00 C ATOM 648 NH1 ARG A 87 10.713 -13.329 5.433 1.00 0.00 N ATOM 649 NH2 ARG A 87 9.294 -12.017 6.601 1.00 0.00 N ATOM 0 H ARG A 87 7.909 -12.383 0.076 1.00 0.00 H new ATOM 0 HA ARG A 87 10.206 -13.812 -1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.385 -14.137 1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.115 -12.412 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.761 -13.552 2.155 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.154 -14.205 2.993 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.061 -11.896 3.316 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.698 -11.227 2.442 1.00 0.00 H new ATOM 0 HE ARG A 87 8.239 -11.717 4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.061 -13.680 4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.128 -13.655 6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.531 -11.341 6.623 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.711 -12.344 7.473 1.00 0.00 H new ATOM 650 N ALA A 88 7.931 -15.227 -0.692 1.00 0.00 N ATOM 651 CA ALA A 88 7.122 -16.468 -0.473 1.00 0.00 C ATOM 652 C ALA A 88 6.762 -16.629 1.002 1.00 0.00 C ATOM 653 O ALA A 88 6.789 -17.721 1.536 1.00 0.00 O ATOM 654 CB ALA A 88 7.956 -17.670 -0.908 1.00 0.00 C ATOM 0 H ALA A 88 7.729 -14.725 -1.556 1.00 0.00 H new ATOM 0 HA ALA A 88 6.201 -16.398 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.383 -18.585 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.211 -17.573 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.870 -17.712 -0.316 1.00 0.00 H new ATOM 655 N GLU A 89 6.433 -15.565 1.672 1.00 0.00 N ATOM 656 CA GLU A 89 6.085 -15.691 3.110 1.00 0.00 C ATOM 657 C GLU A 89 5.268 -14.480 3.555 1.00 0.00 C ATOM 658 O GLU A 89 5.199 -14.164 4.726 1.00 0.00 O ATOM 659 CB GLU A 89 7.373 -15.777 3.927 1.00 0.00 C ATOM 660 CG GLU A 89 7.427 -17.126 4.643 1.00 0.00 C ATOM 661 CD GLU A 89 8.747 -17.252 5.405 1.00 0.00 C ATOM 662 OE1 GLU A 89 9.418 -16.246 5.558 1.00 0.00 O ATOM 663 OE2 GLU A 89 9.064 -18.355 5.822 1.00 0.00 O ATOM 0 H GLU A 89 6.390 -14.620 1.290 1.00 0.00 H new ATOM 0 HA GLU A 89 5.491 -16.591 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.239 -15.663 3.275 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.412 -14.965 4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.588 -17.217 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.334 -17.936 3.920 1.00 0.00 H new ATOM 664 N ASP A 90 4.641 -13.805 2.635 1.00 0.00 N ATOM 665 CA ASP A 90 3.825 -12.625 3.021 1.00 0.00 C ATOM 666 C ASP A 90 2.952 -12.196 1.843 1.00 0.00 C ATOM 667 O ASP A 90 2.982 -11.054 1.430 1.00 0.00 O ATOM 668 CB ASP A 90 4.745 -11.467 3.416 1.00 0.00 C ATOM 669 CG ASP A 90 5.981 -11.466 2.513 1.00 0.00 C ATOM 670 OD1 ASP A 90 5.917 -12.066 1.453 1.00 0.00 O ATOM 671 OD2 ASP A 90 6.970 -10.863 2.897 1.00 0.00 O ATOM 0 H ASP A 90 4.658 -14.018 1.638 1.00 0.00 H new ATOM 0 HA ASP A 90 3.191 -12.891 3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.214 -10.519 3.325 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.044 -11.566 4.460 1.00 0.00 H new ATOM 672 N THR A 91 2.161 -13.089 1.306 1.00 0.00 N ATOM 673 CA THR A 91 1.283 -12.695 0.169 1.00 0.00 C ATOM 674 C THR A 91 0.610 -11.377 0.547 1.00 0.00 C ATOM 675 O THR A 91 0.434 -11.085 1.712 1.00 0.00 O ATOM 676 CB THR A 91 0.227 -13.776 -0.072 1.00 0.00 C ATOM 677 OG1 THR A 91 0.835 -14.896 -0.702 1.00 0.00 O ATOM 678 CG2 THR A 91 -0.882 -13.224 -0.971 1.00 0.00 C ATOM 0 H THR A 91 2.086 -14.062 1.603 1.00 0.00 H new ATOM 0 HA THR A 91 1.864 -12.579 -0.746 1.00 0.00 H new ATOM 0 HB THR A 91 -0.203 -14.081 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.161 -15.591 -0.856 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.632 -13.997 -1.140 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.348 -12.365 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.457 -12.916 -1.926 1.00 0.00 H new ATOM 679 N ALA A 92 0.262 -10.556 -0.400 1.00 0.00 N ATOM 680 CA ALA A 92 -0.356 -9.253 -0.013 1.00 0.00 C ATOM 681 C ALA A 92 -1.516 -8.888 -0.934 1.00 0.00 C ATOM 682 O ALA A 92 -1.674 -9.433 -2.004 1.00 0.00 O ATOM 683 CB ALA A 92 0.705 -8.154 -0.082 1.00 0.00 C ATOM 0 H ALA A 92 0.373 -10.720 -1.401 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.744 -9.348 1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.259 -7.200 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.519 -8.391 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.094 -8.087 -1.098 1.00 0.00 H new ATOM 684 N VAL A 93 -2.315 -7.940 -0.519 1.00 0.00 N ATOM 685 CA VAL A 93 -3.463 -7.493 -1.351 1.00 0.00 C ATOM 686 C VAL A 93 -3.329 -5.975 -1.524 1.00 0.00 C ATOM 687 O VAL A 93 -3.079 -5.261 -0.574 1.00 0.00 O ATOM 688 CB VAL A 93 -4.775 -7.858 -0.645 1.00 0.00 C ATOM 689 CG1 VAL A 93 -5.952 -7.643 -1.598 1.00 0.00 C ATOM 690 CG2 VAL A 93 -4.731 -9.329 -0.227 1.00 0.00 C ATOM 0 H VAL A 93 -2.217 -7.453 0.372 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.468 -7.978 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.899 -7.225 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.882 -7.904 -1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.986 -6.597 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.828 -8.275 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.662 -9.593 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.606 -9.955 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.894 -9.489 0.453 1.00 0.00 H new ATOM 691 N TYR A 94 -3.433 -5.471 -2.726 1.00 0.00 N ATOM 692 CA TYR A 94 -3.240 -3.999 -2.929 1.00 0.00 C ATOM 693 C TYR A 94 -4.551 -3.329 -3.370 1.00 0.00 C ATOM 694 O TYR A 94 -5.346 -3.909 -4.075 1.00 0.00 O ATOM 695 CB TYR A 94 -2.176 -3.793 -4.021 1.00 0.00 C ATOM 696 CG TYR A 94 -0.929 -4.587 -3.719 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.669 -5.032 -2.420 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.019 -4.859 -4.745 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.495 -5.752 -2.148 1.00 0.00 C ATOM 700 CE2 TYR A 94 1.146 -5.581 -4.474 1.00 0.00 C ATOM 701 CZ TYR A 94 1.403 -6.031 -3.175 1.00 0.00 C ATOM 702 OH TYR A 94 2.553 -6.747 -2.906 1.00 0.00 O ATOM 0 H TYR A 94 -3.641 -6.006 -3.569 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.923 -3.548 -1.988 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.579 -4.096 -4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.928 -2.734 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.369 -4.819 -1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.217 -4.511 -5.748 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.695 -6.094 -1.143 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.848 -5.792 -5.267 1.00 0.00 H new ATOM 0 HH TYR A 94 2.703 -6.774 -1.938 1.00 0.00 H new ATOM 703 N TYR A 95 -4.783 -2.099 -2.973 1.00 0.00 N ATOM 704 CA TYR A 95 -6.036 -1.418 -3.401 1.00 0.00 C ATOM 705 C TYR A 95 -5.682 -0.055 -3.978 1.00 0.00 C ATOM 706 O TYR A 95 -5.278 0.845 -3.272 1.00 0.00 O ATOM 707 CB TYR A 95 -6.959 -1.241 -2.208 1.00 0.00 C ATOM 708 CG TYR A 95 -7.672 -2.537 -1.945 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.945 -3.642 -1.509 1.00 0.00 C ATOM 710 CD2 TYR A 95 -9.055 -2.632 -2.140 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.599 -4.854 -1.260 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.711 -3.844 -1.892 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.983 -4.956 -1.452 1.00 0.00 C ATOM 714 OH TYR A 95 -9.628 -6.150 -1.205 1.00 0.00 O ATOM 0 H TYR A 95 -4.164 -1.547 -2.379 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.543 -2.021 -4.155 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.386 -0.941 -1.330 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.680 -0.448 -2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.878 -3.564 -1.363 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.614 -1.773 -2.481 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.037 -5.711 -0.920 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.778 -3.921 -2.040 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.586 -6.048 -1.387 1.00 0.00 H new ATOM 715 N CYS A 96 -5.810 0.090 -5.263 1.00 0.00 N ATOM 716 CA CYS A 96 -5.456 1.379 -5.908 1.00 0.00 C ATOM 717 C CYS A 96 -5.944 2.566 -5.071 1.00 0.00 C ATOM 718 O CYS A 96 -6.725 2.419 -4.152 1.00 0.00 O ATOM 719 CB CYS A 96 -6.076 1.447 -7.304 1.00 0.00 C ATOM 720 SG CYS A 96 -4.921 0.778 -8.537 1.00 0.00 S ATOM 0 H CYS A 96 -6.147 -0.634 -5.898 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.370 1.435 -5.985 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -7.008 0.882 -7.324 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -6.324 2.480 -7.550 1.00 0.00 H new ATOM 721 N ALA A 97 -5.482 3.752 -5.392 1.00 0.00 N ATOM 722 CA ALA A 97 -5.907 4.955 -4.625 1.00 0.00 C ATOM 723 C ALA A 97 -5.570 6.228 -5.413 1.00 0.00 C ATOM 724 O ALA A 97 -4.857 6.194 -6.398 1.00 0.00 O ATOM 725 CB ALA A 97 -5.188 4.970 -3.285 1.00 0.00 C ATOM 0 H ALA A 97 -4.828 3.934 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.984 4.921 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.494 5.849 -2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.442 4.070 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.111 5.002 -3.450 1.00 0.00 H new ATOM 726 N ARG A 98 -6.103 7.348 -5.003 1.00 0.00 N ATOM 727 CA ARG A 98 -5.850 8.624 -5.744 1.00 0.00 C ATOM 728 C ARG A 98 -4.989 9.596 -4.920 1.00 0.00 C ATOM 729 O ARG A 98 -4.744 9.400 -3.746 1.00 0.00 O ATOM 730 CB ARG A 98 -7.195 9.298 -6.016 1.00 0.00 C ATOM 731 CG ARG A 98 -8.180 8.952 -4.882 1.00 0.00 C ATOM 732 CD ARG A 98 -7.614 9.423 -3.535 1.00 0.00 C ATOM 733 NE ARG A 98 -8.587 9.129 -2.445 1.00 0.00 N ATOM 734 CZ ARG A 98 -8.546 7.980 -1.831 1.00 0.00 C ATOM 735 NH1 ARG A 98 -7.543 7.698 -1.046 1.00 0.00 N ATOM 736 NH2 ARG A 98 -9.509 7.115 -1.999 1.00 0.00 N ATOM 0 H ARG A 98 -6.705 7.437 -4.184 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.321 8.385 -6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.066 10.378 -6.083 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.594 8.964 -6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.143 9.427 -5.068 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.355 7.876 -4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.667 8.922 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.408 10.493 -3.571 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.284 9.825 -2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.793 8.376 -0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.509 6.799 -0.565 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.294 7.338 -2.611 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.477 6.216 -1.518 1.00 0.00 H new ATOM 737 N LEU A 99 -4.549 10.663 -5.544 1.00 0.00 N ATOM 738 CA LEU A 99 -3.729 11.688 -4.831 1.00 0.00 C ATOM 739 C LEU A 99 -3.287 12.772 -5.822 1.00 0.00 C ATOM 740 O LEU A 99 -2.119 13.093 -5.922 1.00 0.00 O ATOM 741 CB LEU A 99 -2.491 11.048 -4.196 1.00 0.00 C ATOM 742 CG LEU A 99 -2.065 9.809 -4.982 1.00 0.00 C ATOM 743 CD1 LEU A 99 -2.093 10.104 -6.483 1.00 0.00 C ATOM 744 CD2 LEU A 99 -0.643 9.429 -4.571 1.00 0.00 C ATOM 0 H LEU A 99 -4.726 10.867 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.338 12.130 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.674 11.769 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.705 10.774 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.752 8.990 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.788 9.215 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.103 10.386 -6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.408 10.922 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.328 8.545 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.033 10.256 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.618 9.215 -3.503 1.00 0.00 H new ATOM 745 N LYS A 100 -4.208 13.341 -6.556 1.00 0.00 N ATOM 746 CA LYS A 100 -3.830 14.403 -7.537 1.00 0.00 C ATOM 747 C LYS A 100 -4.646 15.669 -7.271 1.00 0.00 C ATOM 748 O LYS A 100 -4.731 16.544 -8.108 1.00 0.00 O ATOM 749 CB LYS A 100 -4.115 13.937 -8.971 1.00 0.00 C ATOM 750 CG LYS A 100 -4.094 12.410 -9.057 1.00 0.00 C ATOM 751 CD LYS A 100 -4.908 11.962 -10.271 1.00 0.00 C ATOM 752 CE LYS A 100 -5.776 10.765 -9.877 1.00 0.00 C ATOM 753 NZ LYS A 100 -6.950 10.674 -10.789 1.00 0.00 N ATOM 0 H LYS A 100 -5.203 13.117 -6.519 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.765 14.607 -7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.086 14.311 -9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.371 14.355 -9.649 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.068 12.053 -9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.509 11.977 -8.147 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.534 12.780 -10.626 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.243 11.691 -11.091 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.191 9.847 -9.929 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.112 10.871 -8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -7.667 10.048 -10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.356 11.621 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.648 10.289 -11.706 1.00 0.00 H new ATOM 754 N LYS A 101 -5.253 15.774 -6.121 1.00 0.00 N ATOM 755 CA LYS A 101 -6.068 16.985 -5.818 1.00 0.00 C ATOM 756 C LYS A 101 -7.265 17.029 -6.773 1.00 0.00 C ATOM 757 O LYS A 101 -8.328 16.532 -6.460 1.00 0.00 O ATOM 758 CB LYS A 101 -5.206 18.240 -5.987 1.00 0.00 C ATOM 759 CG LYS A 101 -6.031 19.480 -5.642 1.00 0.00 C ATOM 760 CD LYS A 101 -5.495 20.104 -4.352 1.00 0.00 C ATOM 761 CE LYS A 101 -4.038 20.521 -4.554 1.00 0.00 C ATOM 762 NZ LYS A 101 -3.292 20.347 -3.276 1.00 0.00 N ATOM 0 H LYS A 101 -5.220 15.075 -5.379 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.428 16.946 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -4.331 18.182 -5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.841 18.307 -7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -5.980 20.202 -6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.080 19.210 -5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.097 20.970 -4.077 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.570 19.390 -3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.581 19.919 -5.339 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.987 21.560 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.301 20.630 -3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.724 20.940 -2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.330 19.349 -2.985 1.00 0.00 H new ATOM 763 N TYR A 102 -7.104 17.597 -7.942 1.00 0.00 N ATOM 764 CA TYR A 102 -8.242 17.632 -8.906 1.00 0.00 C ATOM 765 C TYR A 102 -8.863 16.239 -8.943 1.00 0.00 C ATOM 766 O TYR A 102 -10.042 16.068 -9.187 1.00 0.00 O ATOM 767 CB TYR A 102 -7.718 18.006 -10.297 1.00 0.00 C ATOM 768 CG TYR A 102 -8.734 17.629 -11.353 1.00 0.00 C ATOM 769 CD1 TYR A 102 -8.823 16.302 -11.794 1.00 0.00 C ATOM 770 CD2 TYR A 102 -9.580 18.604 -11.892 1.00 0.00 C ATOM 771 CE1 TYR A 102 -9.760 15.952 -12.774 1.00 0.00 C ATOM 772 CE2 TYR A 102 -10.516 18.254 -12.874 1.00 0.00 C ATOM 773 CZ TYR A 102 -10.606 16.928 -13.314 1.00 0.00 C ATOM 774 OH TYR A 102 -11.528 16.583 -14.281 1.00 0.00 O ATOM 0 H TYR A 102 -6.241 18.034 -8.267 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.985 18.369 -8.602 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.515 19.076 -10.342 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.775 17.494 -10.489 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.169 15.550 -11.378 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.512 19.627 -11.551 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.830 14.929 -13.113 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -11.168 19.007 -13.291 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.036 17.378 -14.547 1.00 0.00 H new ATOM 775 N ALA A 103 -8.063 15.245 -8.682 1.00 0.00 N ATOM 776 CA ALA A 103 -8.561 13.847 -8.670 1.00 0.00 C ATOM 777 C ALA A 103 -8.924 13.481 -7.233 1.00 0.00 C ATOM 778 O ALA A 103 -9.554 14.253 -6.537 1.00 0.00 O ATOM 779 CB ALA A 103 -7.453 12.934 -9.194 1.00 0.00 C ATOM 0 H ALA A 103 -7.070 15.346 -8.473 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.442 13.735 -9.302 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.801 11.901 -9.192 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.191 13.227 -10.211 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.576 13.022 -8.553 1.00 0.00 H new ATOM 780 N PHE A 104 -8.531 12.328 -6.770 1.00 0.00 N ATOM 781 CA PHE A 104 -8.855 11.954 -5.367 1.00 0.00 C ATOM 782 C PHE A 104 -10.339 11.590 -5.248 1.00 0.00 C ATOM 783 O PHE A 104 -11.168 12.110 -5.962 1.00 0.00 O ATOM 784 CB PHE A 104 -8.530 13.145 -4.484 1.00 0.00 C ATOM 785 CG PHE A 104 -7.768 12.688 -3.267 1.00 0.00 C ATOM 786 CD1 PHE A 104 -8.440 12.086 -2.197 1.00 0.00 C ATOM 787 CD2 PHE A 104 -6.381 12.853 -3.217 1.00 0.00 C ATOM 788 CE1 PHE A 104 -7.721 11.649 -1.077 1.00 0.00 C ATOM 789 CE2 PHE A 104 -5.662 12.415 -2.099 1.00 0.00 C ATOM 790 CZ PHE A 104 -6.333 11.813 -1.029 1.00 0.00 C ATOM 0 H PHE A 104 -8.003 11.633 -7.298 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.272 11.086 -5.059 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.940 13.872 -5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -9.449 13.646 -4.181 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -9.512 11.959 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -5.863 13.319 -4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.239 11.185 -0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.590 12.542 -2.062 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.779 11.475 -0.166 1.00 0.00 H new ATOM 791 N ASP A 105 -10.668 10.698 -4.345 1.00 0.00 N ATOM 792 CA ASP A 105 -12.087 10.274 -4.152 1.00 0.00 C ATOM 793 C ASP A 105 -12.443 9.106 -5.093 1.00 0.00 C ATOM 794 O ASP A 105 -13.576 8.970 -5.508 1.00 0.00 O ATOM 795 CB ASP A 105 -13.032 11.448 -4.418 1.00 0.00 C ATOM 796 CG ASP A 105 -14.362 11.203 -3.702 1.00 0.00 C ATOM 797 OD1 ASP A 105 -14.410 10.303 -2.880 1.00 0.00 O ATOM 798 OD2 ASP A 105 -15.308 11.916 -3.990 1.00 0.00 O ATOM 0 H ASP A 105 -10.001 10.240 -3.724 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.202 9.943 -3.120 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.583 12.377 -4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.198 11.560 -5.489 1.00 0.00 H new ATOM 799 N TYR A 106 -11.505 8.244 -5.412 1.00 0.00 N ATOM 800 CA TYR A 106 -11.842 7.082 -6.298 1.00 0.00 C ATOM 801 C TYR A 106 -10.910 5.908 -5.985 1.00 0.00 C ATOM 802 O TYR A 106 -10.462 5.737 -4.869 1.00 0.00 O ATOM 803 CB TYR A 106 -11.694 7.442 -7.781 1.00 0.00 C ATOM 804 CG TYR A 106 -11.661 8.929 -7.984 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.850 9.664 -8.033 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.432 9.567 -8.153 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.805 11.047 -8.248 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.384 10.941 -8.373 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.571 11.687 -8.420 1.00 0.00 C ATOM 810 OH TYR A 106 -11.525 13.048 -8.638 1.00 0.00 O ATOM 0 H TYR A 106 -10.534 8.293 -5.103 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.880 6.811 -6.106 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.779 6.999 -8.175 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.523 7.015 -8.345 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.800 9.166 -7.905 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.517 8.995 -8.113 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.720 11.619 -8.281 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.432 11.433 -8.508 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.287 13.476 -8.195 1.00 0.00 H new ATOM 811 N TRP A 107 -10.616 5.093 -6.969 1.00 0.00 N ATOM 812 CA TRP A 107 -9.723 3.931 -6.741 1.00 0.00 C ATOM 813 C TRP A 107 -10.321 3.040 -5.661 1.00 0.00 C ATOM 814 O TRP A 107 -11.052 3.492 -4.803 1.00 0.00 O ATOM 815 CB TRP A 107 -8.361 4.426 -6.303 1.00 0.00 C ATOM 816 CG TRP A 107 -7.810 5.344 -7.345 1.00 0.00 C ATOM 817 CD1 TRP A 107 -7.784 6.682 -7.231 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.223 5.033 -8.642 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.198 7.231 -8.346 1.00 0.00 N ATOM 820 CE2 TRP A 107 -6.835 6.249 -9.257 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.984 3.831 -9.340 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.232 6.264 -10.512 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.378 3.853 -10.603 1.00 0.00 C ATOM 824 CH2 TRP A 107 -6.001 5.066 -11.186 1.00 0.00 C ATOM 0 H TRP A 107 -10.962 5.190 -7.924 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.619 3.358 -7.663 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.440 4.947 -5.349 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.687 3.583 -6.151 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.166 7.242 -6.390 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.049 8.230 -8.486 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.270 2.888 -8.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -5.944 7.202 -10.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -6.201 2.927 -11.129 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.531 5.075 -12.158 1.00 0.00 H new ATOM 825 N GLY A 108 -10.022 1.775 -5.692 1.00 0.00 N ATOM 826 CA GLY A 108 -10.583 0.870 -4.662 1.00 0.00 C ATOM 827 C GLY A 108 -11.175 -0.373 -5.328 1.00 0.00 C ATOM 828 O GLY A 108 -12.097 -0.290 -6.115 1.00 0.00 O ATOM 0 H GLY A 108 -9.416 1.332 -6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -9.804 0.579 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.353 1.388 -4.090 1.00 0.00 H new ATOM 829 N GLN A 109 -10.652 -1.523 -5.012 1.00 0.00 N ATOM 830 CA GLN A 109 -11.179 -2.778 -5.616 1.00 0.00 C ATOM 831 C GLN A 109 -10.524 -3.970 -4.918 1.00 0.00 C ATOM 832 O GLN A 109 -11.185 -4.778 -4.297 1.00 0.00 O ATOM 833 CB GLN A 109 -10.854 -2.807 -7.111 1.00 0.00 C ATOM 834 CG GLN A 109 -11.993 -3.496 -7.865 1.00 0.00 C ATOM 835 CD GLN A 109 -13.138 -2.502 -8.070 1.00 0.00 C ATOM 836 OE1 GLN A 109 -12.929 -1.306 -8.052 1.00 0.00 O ATOM 837 NE2 GLN A 109 -14.348 -2.949 -8.266 1.00 0.00 N ATOM 0 H GLN A 109 -9.879 -1.649 -4.359 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.261 -2.826 -5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -10.717 -1.792 -7.484 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -9.917 -3.338 -7.281 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -11.638 -3.863 -8.828 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -12.344 -4.362 -7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -14.524 -3.954 -8.281 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -15.118 -2.294 -8.404 1.00 0.00 H new ATOM 838 N GLY A 110 -9.226 -4.076 -4.998 1.00 0.00 N ATOM 839 CA GLY A 110 -8.534 -5.203 -4.320 1.00 0.00 C ATOM 840 C GLY A 110 -7.748 -6.038 -5.331 1.00 0.00 C ATOM 841 O GLY A 110 -8.288 -6.545 -6.295 1.00 0.00 O ATOM 0 H GLY A 110 -8.618 -3.431 -5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.859 -4.816 -3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.264 -5.832 -3.811 1.00 0.00 H new ATOM 842 N THR A 111 -6.478 -6.209 -5.094 1.00 0.00 N ATOM 843 CA THR A 111 -5.636 -7.033 -5.992 1.00 0.00 C ATOM 844 C THR A 111 -4.629 -7.733 -5.093 1.00 0.00 C ATOM 845 O THR A 111 -4.901 -7.935 -3.929 1.00 0.00 O ATOM 846 CB THR A 111 -4.929 -6.150 -7.022 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.371 -6.969 -8.041 1.00 0.00 O ATOM 848 CG2 THR A 111 -3.822 -5.355 -6.344 1.00 0.00 C ATOM 0 H THR A 111 -5.983 -5.803 -4.300 1.00 0.00 H new ATOM 0 HA THR A 111 -6.231 -7.754 -6.553 1.00 0.00 H new ATOM 0 HB THR A 111 -5.649 -5.459 -7.462 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.670 -6.472 -8.512 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.321 -4.727 -7.081 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.251 -4.726 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.100 -6.041 -5.901 1.00 0.00 H new ATOM 849 N LEU A 112 -3.477 -8.107 -5.569 1.00 0.00 N ATOM 850 CA LEU A 112 -2.547 -8.792 -4.634 1.00 0.00 C ATOM 851 C LEU A 112 -1.243 -9.196 -5.317 1.00 0.00 C ATOM 852 O LEU A 112 -0.894 -8.745 -6.390 1.00 0.00 O ATOM 853 CB LEU A 112 -3.235 -10.069 -4.171 1.00 0.00 C ATOM 854 CG LEU A 112 -3.358 -10.972 -5.387 1.00 0.00 C ATOM 855 CD1 LEU A 112 -2.234 -12.010 -5.356 1.00 0.00 C ATOM 856 CD2 LEU A 112 -4.717 -11.673 -5.382 1.00 0.00 C ATOM 0 H LEU A 112 -3.148 -7.976 -6.525 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.310 -8.112 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.657 -10.556 -3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.217 -9.848 -3.753 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.277 -10.374 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.316 -12.661 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.270 -11.502 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.314 -12.606 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.797 -12.318 -6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.813 -12.274 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.511 -10.927 -5.408 1.00 0.00 H new ATOM 857 N VAL A 113 -0.558 -10.094 -4.674 1.00 0.00 N ATOM 858 CA VAL A 113 0.712 -10.648 -5.189 1.00 0.00 C ATOM 859 C VAL A 113 0.886 -12.014 -4.524 1.00 0.00 C ATOM 860 O VAL A 113 0.911 -12.119 -3.307 1.00 0.00 O ATOM 861 CB VAL A 113 1.857 -9.714 -4.822 1.00 0.00 C ATOM 862 CG1 VAL A 113 1.428 -8.278 -5.098 1.00 0.00 C ATOM 863 CG2 VAL A 113 2.188 -9.867 -3.342 1.00 0.00 C ATOM 0 H VAL A 113 -0.843 -10.480 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 113 0.705 -10.749 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 113 2.738 -9.961 -5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.241 -7.599 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.186 -8.167 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.550 -8.039 -4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.008 -9.198 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.311 -9.616 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.482 -10.897 -3.140 1.00 0.00 H new ATOM 864 N THR A 114 0.962 -13.062 -5.297 1.00 0.00 N ATOM 865 CA THR A 114 1.085 -14.417 -4.693 1.00 0.00 C ATOM 866 C THR A 114 2.530 -14.893 -4.754 1.00 0.00 C ATOM 867 O THR A 114 2.925 -15.586 -5.671 1.00 0.00 O ATOM 868 CB THR A 114 0.196 -15.398 -5.463 1.00 0.00 C ATOM 869 OG1 THR A 114 -0.948 -14.713 -5.955 1.00 0.00 O ATOM 870 CG2 THR A 114 -0.243 -16.531 -4.536 1.00 0.00 C ATOM 0 H THR A 114 0.944 -13.039 -6.317 1.00 0.00 H new ATOM 0 HA THR A 114 0.771 -14.370 -3.650 1.00 0.00 H new ATOM 0 HB THR A 114 0.757 -15.816 -6.299 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.517 -15.339 -6.449 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.875 -17.227 -5.087 1.00 0.00 H new ATOM 0 HG22 THR A 114 0.636 -17.057 -4.162 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.803 -16.118 -3.697 1.00 0.00 H new ATOM 871 N VAL A 115 3.323 -14.552 -3.781 1.00 0.00 N ATOM 872 CA VAL A 115 4.730 -15.020 -3.807 1.00 0.00 C ATOM 873 C VAL A 115 4.727 -16.536 -3.969 1.00 0.00 C ATOM 874 O VAL A 115 4.150 -17.249 -3.171 1.00 0.00 O ATOM 875 CB VAL A 115 5.432 -14.653 -2.505 1.00 0.00 C ATOM 876 CG1 VAL A 115 5.831 -13.180 -2.523 1.00 0.00 C ATOM 877 CG2 VAL A 115 4.494 -14.911 -1.325 1.00 0.00 C ATOM 0 H VAL A 115 3.062 -13.977 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 115 5.259 -14.547 -4.634 1.00 0.00 H new ATOM 0 HB VAL A 115 6.328 -15.265 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.332 -12.927 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.507 -12.996 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 115 4.940 -12.563 -2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.998 -14.648 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.595 -14.304 -1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.219 -15.965 -1.303 1.00 0.00 H new ATOM 878 N SER A 116 5.346 -17.041 -4.996 1.00 0.00 N ATOM 879 CA SER A 116 5.346 -18.513 -5.195 1.00 0.00 C ATOM 880 C SER A 116 6.194 -18.872 -6.417 1.00 0.00 C ATOM 881 O SER A 116 6.612 -18.015 -7.169 1.00 0.00 O ATOM 882 CB SER A 116 3.908 -18.972 -5.418 1.00 0.00 C ATOM 883 OG SER A 116 3.428 -19.602 -4.236 1.00 0.00 O ATOM 0 H SER A 116 5.849 -16.502 -5.702 1.00 0.00 H new ATOM 0 HA SER A 116 5.766 -19.006 -4.318 1.00 0.00 H new ATOM 0 HB2 SER A 116 3.277 -18.120 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 116 3.861 -19.665 -6.258 1.00 0.00 H new ATOM 0 HG SER A 116 3.509 -18.984 -3.480 1.00 0.00 H new ATOM 884 N SER A 117 6.448 -20.136 -6.618 1.00 0.00 N ATOM 885 CA SER A 117 7.268 -20.558 -7.788 1.00 0.00 C ATOM 886 C SER A 117 6.841 -21.960 -8.228 1.00 0.00 C ATOM 887 O SER A 117 7.684 -22.680 -8.740 1.00 0.00 O ATOM 888 CB SER A 117 8.748 -20.571 -7.396 1.00 0.00 C ATOM 889 OG SER A 117 9.293 -19.262 -7.542 1.00 0.00 O ATOM 890 OXT SER A 117 5.681 -22.289 -8.048 1.00 0.00 O ATOM 0 H SER A 117 6.122 -20.896 -6.021 1.00 0.00 H new ATOM 0 HA SER A 117 7.118 -19.858 -8.610 1.00 0.00 H new ATOM 0 HB2 SER A 117 8.859 -20.909 -6.366 1.00 0.00 H new ATOM 0 HB3 SER A 117 9.295 -21.275 -8.023 1.00 0.00 H new ATOM 0 HG SER A 117 9.881 -19.066 -6.783 1.00 0.00 H new TER 891 SER A 117