USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 763 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 98 GLN : amide:sc= 0.988 K(o=2,f=-10!) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -116:sc= 1 (180deg=-0.0982) USER MOD Set 2.1: A 57 THR OG1 : rot 166:sc= 0 USER MOD Set 2.2: A 111 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-8.1!) USER MOD Set 3.1: A 49 LYS NZ :NH3+ 148:sc= -0.133 (180deg=-0.7) USER MOD Set 3.2: A 53 SER OG : rot -109:sc= -2.27 USER MOD Single : A 31 MET CE :methyl -111:sc=-0.00948 (180deg=-0.131) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc=-0.00606 F(o=-1.6!,f=-0.0061) USER MOD Single : A 36 ASN : amide:sc= -2.6! C(o=-2.6!,f=-13!) USER MOD Single : A 41 MET CE :methyl -167:sc= 0 (180deg=-0.0567) USER MOD Single : A 43 MET CE :methyl 149:sc= 0 (180deg=-0.0067) USER MOD Single : A 47 LYS NZ :NH3+ 138:sc= -0.708 (180deg=-2.39!) USER MOD Single : A 54 TYR OH : rot -172:sc= 1.1 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0366 USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0611 (180deg=-0.446) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.704! F(o=-1.8,f=-0.7!) USER MOD Single : A 60 SER OG : rot -48:sc= 0.842 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -28:sc= -2.57! USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.553 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc=-0.00407 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -1.88 K(o=-1.9,f=-3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.3!) USER MOD Single : A 88 HIS : no HD1:sc= -0.0936 X(o=-0.094,f=-0.051) USER MOD Single : A 90 SER OG : rot 180:sc= -0.405 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc=-0.00519 K(o=-0.0052,f=-0.63) USER MOD Single : A 99 THR OG1 : rot -36:sc= 0.212 USER MOD Single : A 103 ASN : amide:sc= -0.0644 X(o=-0.064,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= -0.184 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -5.36! C(o=-5.4!,f=-11!) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.00069) USER MOD Single : A 123 SER OG : rot 180:sc= -0.436 USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 126 ASN : amide:sc= -3! C(o=-3!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 31 -0.835 30.566 -16.307 1.00 0.00 N ATOM 2 CA MET A 31 0.321 29.629 -16.348 1.00 0.00 C ATOM 3 C MET A 31 0.246 28.700 -15.141 1.00 0.00 C ATOM 4 O MET A 31 0.015 29.145 -14.017 1.00 0.00 O ATOM 5 CB MET A 31 1.628 30.429 -16.312 1.00 0.00 C ATOM 6 CG MET A 31 1.699 31.360 -17.529 1.00 0.00 C ATOM 7 SD MET A 31 1.734 30.385 -19.055 1.00 0.00 S ATOM 8 CE MET A 31 3.491 29.951 -19.028 1.00 0.00 C ATOM 0 HA MET A 31 0.292 29.039 -17.264 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.683 31.012 -15.393 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.481 29.750 -16.311 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.839 32.030 -17.535 1.00 0.00 H new ATOM 0 HG3 MET A 31 2.590 31.985 -17.467 1.00 0.00 H new ATOM 0 HE1 MET A 31 4.006 30.468 -19.838 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.925 30.249 -18.073 1.00 0.00 H new ATOM 0 HE3 MET A 31 3.602 28.874 -19.156 1.00 0.00 H new ATOM 18 N GLY A 32 0.438 27.406 -15.379 1.00 0.00 N ATOM 19 CA GLY A 32 0.386 26.429 -14.298 1.00 0.00 C ATOM 20 C GLY A 32 1.637 26.507 -13.434 1.00 0.00 C ATOM 21 O GLY A 32 2.710 26.065 -13.837 1.00 0.00 O ATOM 0 H GLY A 32 0.629 27.013 -16.301 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.497 26.607 -13.684 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.288 25.426 -14.713 1.00 0.00 H new ATOM 25 N LYS A 33 1.492 27.073 -12.242 1.00 0.00 N ATOM 26 CA LYS A 33 2.616 27.206 -11.323 1.00 0.00 C ATOM 27 C LYS A 33 3.136 25.832 -10.914 1.00 0.00 C ATOM 28 O LYS A 33 4.332 25.653 -10.684 1.00 0.00 O ATOM 29 CB LYS A 33 2.191 27.992 -10.083 1.00 0.00 C ATOM 30 CG LYS A 33 1.907 29.443 -10.476 1.00 0.00 C ATOM 31 CD LYS A 33 1.473 30.233 -9.240 1.00 0.00 C ATOM 32 CE LYS A 33 1.194 31.683 -9.635 1.00 0.00 C ATOM 33 NZ LYS A 33 0.761 32.451 -8.434 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.610 27.446 -11.890 1.00 0.00 H new ATOM 0 HA LYS A 33 3.416 27.746 -11.830 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.302 27.542 -9.641 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.976 27.955 -9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.798 29.893 -10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.126 29.479 -11.236 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.580 29.785 -8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.252 30.196 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.089 32.133 -10.064 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.420 31.720 -10.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.571 33.438 -8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.104 32.026 -8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.513 32.426 -7.716 1.00 0.00 H new ATOM 47 N ASN A 34 2.226 24.869 -10.812 1.00 0.00 N ATOM 48 CA ASN A 34 2.594 23.513 -10.419 1.00 0.00 C ATOM 49 C ASN A 34 3.423 22.829 -11.508 1.00 0.00 C ATOM 50 O ASN A 34 3.242 21.643 -11.783 1.00 0.00 O ATOM 51 CB ASN A 34 1.330 22.694 -10.148 1.00 0.00 C ATOM 52 CG ASN A 34 0.556 23.301 -8.984 1.00 0.00 C ATOM 53 OD1 ASN A 34 1.134 24.185 -8.217 1.00 0.00 O flip ATOM 54 ND2 ASN A 34 -0.609 22.964 -8.768 1.00 0.00 N flip ATOM 0 H ASN A 34 1.231 25.001 -10.995 1.00 0.00 H new ATOM 0 HA ASN A 34 3.198 23.572 -9.514 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.703 22.671 -11.040 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.597 21.662 -9.919 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.060 22.273 -9.368 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.123 23.376 -7.989 1.00 0.00 H new ATOM 61 N ASP A 35 4.335 23.581 -12.119 1.00 0.00 N ATOM 62 CA ASP A 35 5.189 23.031 -13.169 1.00 0.00 C ATOM 63 C ASP A 35 6.290 22.166 -12.567 1.00 0.00 C ATOM 64 O ASP A 35 7.053 21.525 -13.291 1.00 0.00 O ATOM 65 CB ASP A 35 5.821 24.163 -13.982 1.00 0.00 C ATOM 66 CG ASP A 35 4.768 24.834 -14.857 1.00 0.00 C ATOM 67 OD1 ASP A 35 3.715 24.244 -15.040 1.00 0.00 O1- ATOM 68 OD2 ASP A 35 5.029 25.925 -15.335 1.00 0.00 O ATOM 0 H ASP A 35 4.501 24.565 -11.908 1.00 0.00 H new ATOM 0 HA ASP A 35 4.571 22.415 -13.823 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.268 24.897 -13.311 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.624 23.769 -14.604 1.00 0.00 H new ATOM 73 N ASN A 36 6.370 22.152 -11.241 1.00 0.00 N ATOM 74 CA ASN A 36 7.386 21.362 -10.555 1.00 0.00 C ATOM 75 C ASN A 36 7.148 19.873 -10.780 1.00 0.00 C ATOM 76 O ASN A 36 8.073 19.066 -10.702 1.00 0.00 O ATOM 77 CB ASN A 36 7.359 21.662 -9.056 1.00 0.00 C ATOM 78 CG ASN A 36 5.983 21.336 -8.484 1.00 0.00 C ATOM 79 OD1 ASN A 36 5.108 20.854 -9.205 1.00 0.00 O ATOM 80 ND2 ASN A 36 5.739 21.570 -7.224 1.00 0.00 N ATOM 0 H ASN A 36 5.749 22.674 -10.623 1.00 0.00 H new ATOM 0 HA ASN A 36 8.361 21.630 -10.961 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.123 21.075 -8.545 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.595 22.712 -8.882 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.822 21.354 -6.833 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.465 21.969 -6.629 1.00 0.00 H new ATOM 87 N ASP A 37 5.900 19.517 -11.063 1.00 0.00 N ATOM 88 CA ASP A 37 5.547 18.124 -11.302 1.00 0.00 C ATOM 89 C ASP A 37 5.981 17.702 -12.700 1.00 0.00 C ATOM 90 O ASP A 37 5.433 16.761 -13.275 1.00 0.00 O ATOM 91 CB ASP A 37 4.037 17.932 -11.155 1.00 0.00 C ATOM 92 CG ASP A 37 3.700 16.445 -11.131 1.00 0.00 C ATOM 93 OD1 ASP A 37 4.599 15.659 -10.875 1.00 0.00 O ATOM 94 OD2 ASP A 37 2.551 16.113 -11.368 1.00 0.00 O1- ATOM 0 H ASP A 37 5.120 20.170 -11.132 1.00 0.00 H new ATOM 0 HA ASP A 37 6.062 17.505 -10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.689 18.407 -10.238 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.518 18.418 -11.982 1.00 0.00 H new ATOM 99 N ALA A 38 6.965 18.409 -13.243 1.00 0.00 N ATOM 100 CA ALA A 38 7.462 18.106 -14.578 1.00 0.00 C ATOM 101 C ALA A 38 8.275 16.813 -14.571 1.00 0.00 C ATOM 102 O ALA A 38 8.551 16.251 -13.511 1.00 0.00 O ATOM 103 CB ALA A 38 8.339 19.257 -15.079 1.00 0.00 C ATOM 0 H ALA A 38 7.431 19.191 -12.783 1.00 0.00 H new ATOM 0 HA ALA A 38 6.607 17.979 -15.243 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.708 19.025 -16.078 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.751 20.174 -15.113 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.183 19.392 -14.403 1.00 0.00 H new ATOM 109 N LEU A 39 8.678 16.350 -15.758 1.00 0.00 N ATOM 110 CA LEU A 39 9.491 15.133 -15.862 1.00 0.00 C ATOM 111 C LEU A 39 10.575 15.317 -16.922 1.00 0.00 C ATOM 112 O LEU A 39 10.289 15.403 -18.116 1.00 0.00 O ATOM 113 CB LEU A 39 8.630 13.906 -16.206 1.00 0.00 C ATOM 114 CG LEU A 39 7.528 13.702 -15.134 1.00 0.00 C ATOM 115 CD1 LEU A 39 6.252 14.442 -15.548 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.207 12.206 -14.991 1.00 0.00 C ATOM 0 H LEU A 39 8.458 16.792 -16.650 1.00 0.00 H new ATOM 0 HA LEU A 39 9.954 14.959 -14.891 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.173 14.038 -17.187 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.259 13.017 -16.264 1.00 0.00 H new ATOM 0 HG LEU A 39 7.890 14.095 -14.184 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.483 14.294 -14.790 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.464 15.507 -15.646 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.899 14.053 -16.503 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.432 12.071 -14.236 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.855 11.816 -15.946 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.106 11.668 -14.689 1.00 0.00 H new ATOM 128 N ILE A 40 11.820 15.391 -16.460 1.00 0.00 N ATOM 129 CA ILE A 40 12.971 15.581 -17.354 1.00 0.00 C ATOM 130 C ILE A 40 13.670 14.242 -17.577 1.00 0.00 C ATOM 131 O ILE A 40 13.719 13.400 -16.684 1.00 0.00 O ATOM 132 CB ILE A 40 13.957 16.612 -16.750 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.487 18.035 -17.089 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.363 16.413 -17.334 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.021 18.202 -16.687 1.00 0.00 C ATOM 0 H ILE A 40 12.063 15.323 -15.472 1.00 0.00 H new ATOM 0 HA ILE A 40 12.621 15.964 -18.312 1.00 0.00 H new ATOM 0 HB ILE A 40 13.986 16.469 -15.670 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.103 18.766 -16.566 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.605 18.223 -18.156 1.00 0.00 H new ATOM 0 HG21 ILE A 40 16.044 17.145 -16.900 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.714 15.408 -17.102 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.330 16.545 -18.415 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.690 19.212 -16.929 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.410 17.481 -17.230 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.916 18.032 -15.615 1.00 0.00 H new ATOM 147 N MET A 41 14.218 14.059 -18.775 1.00 0.00 N ATOM 148 CA MET A 41 14.916 12.825 -19.107 1.00 0.00 C ATOM 149 C MET A 41 16.348 12.867 -18.563 1.00 0.00 C ATOM 150 O MET A 41 17.042 13.875 -18.697 1.00 0.00 O ATOM 151 CB MET A 41 14.923 12.641 -20.646 1.00 0.00 C ATOM 152 CG MET A 41 14.369 11.264 -21.034 1.00 0.00 C ATOM 153 SD MET A 41 14.656 10.979 -22.800 1.00 0.00 S ATOM 154 CE MET A 41 16.064 9.854 -22.639 1.00 0.00 C ATOM 0 H MET A 41 14.192 14.747 -19.528 1.00 0.00 H new ATOM 0 HA MET A 41 14.402 11.980 -18.649 1.00 0.00 H new ATOM 0 HB2 MET A 41 14.324 13.423 -21.113 1.00 0.00 H new ATOM 0 HB3 MET A 41 15.939 12.749 -21.025 1.00 0.00 H new ATOM 0 HG2 MET A 41 14.853 10.485 -20.445 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.303 11.213 -20.814 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.546 9.734 -23.609 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.779 10.266 -21.927 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.716 8.884 -22.284 1.00 0.00 H new ATOM 164 N CYS A 42 16.783 11.766 -17.959 1.00 0.00 N ATOM 165 CA CYS A 42 18.137 11.691 -17.409 1.00 0.00 C ATOM 166 C CYS A 42 19.152 11.458 -18.534 1.00 0.00 C ATOM 167 O CYS A 42 18.901 10.704 -19.467 1.00 0.00 O ATOM 168 CB CYS A 42 18.214 10.559 -16.374 1.00 0.00 C ATOM 169 SG CYS A 42 19.554 10.883 -15.195 1.00 0.00 S ATOM 0 H CYS A 42 16.226 10.920 -17.837 1.00 0.00 H new ATOM 0 HA CYS A 42 18.377 12.634 -16.918 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.265 10.475 -15.844 1.00 0.00 H new ATOM 0 HB3 CYS A 42 18.384 9.607 -16.877 1.00 0.00 H new ATOM 174 N MET A 43 20.290 12.131 -18.454 1.00 0.00 N ATOM 175 CA MET A 43 21.313 11.993 -19.487 1.00 0.00 C ATOM 176 C MET A 43 22.092 10.692 -19.316 1.00 0.00 C ATOM 177 O MET A 43 22.934 10.351 -20.147 1.00 0.00 O ATOM 178 CB MET A 43 22.278 13.178 -19.428 1.00 0.00 C ATOM 179 CG MET A 43 22.634 13.471 -17.968 1.00 0.00 C ATOM 180 SD MET A 43 24.023 14.631 -17.904 1.00 0.00 S ATOM 181 CE MET A 43 25.348 13.404 -18.022 1.00 0.00 C ATOM 0 H MET A 43 20.529 12.771 -17.696 1.00 0.00 H new ATOM 0 HA MET A 43 20.815 11.974 -20.456 1.00 0.00 H new ATOM 0 HB2 MET A 43 23.181 12.955 -19.996 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.822 14.056 -19.886 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.772 13.891 -17.450 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.895 12.546 -17.454 1.00 0.00 H new ATOM 0 HE1 MET A 43 26.205 13.842 -18.535 1.00 0.00 H new ATOM 0 HE2 MET A 43 25.645 13.092 -17.021 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.994 12.538 -18.582 1.00 0.00 H new ATOM 191 N ARG A 44 21.816 9.970 -18.229 1.00 0.00 N ATOM 192 CA ARG A 44 22.506 8.704 -17.950 1.00 0.00 C ATOM 193 C ARG A 44 21.522 7.534 -17.921 1.00 0.00 C ATOM 194 O ARG A 44 21.337 6.847 -18.926 1.00 0.00 O ATOM 195 CB ARG A 44 23.239 8.811 -16.608 1.00 0.00 C ATOM 196 CG ARG A 44 24.029 7.528 -16.339 1.00 0.00 C ATOM 197 CD ARG A 44 24.871 7.705 -15.072 1.00 0.00 C ATOM 198 NE ARG A 44 25.873 8.746 -15.278 1.00 0.00 N ATOM 199 CZ ARG A 44 27.017 8.486 -15.902 1.00 0.00 C ATOM 200 NH1 ARG A 44 27.266 7.279 -16.328 1.00 0.00 N ATOM 201 NH2 ARG A 44 27.890 9.438 -16.084 1.00 0.00 N1+ ATOM 0 H ARG A 44 21.124 10.236 -17.529 1.00 0.00 H new ATOM 0 HA ARG A 44 23.225 8.515 -18.747 1.00 0.00 H new ATOM 0 HB2 ARG A 44 23.913 9.667 -16.620 1.00 0.00 H new ATOM 0 HB3 ARG A 44 22.522 8.981 -15.805 1.00 0.00 H new ATOM 0 HG2 ARG A 44 23.347 6.686 -16.221 1.00 0.00 H new ATOM 0 HG3 ARG A 44 24.673 7.300 -17.188 1.00 0.00 H new ATOM 0 HD2 ARG A 44 24.228 7.969 -14.232 1.00 0.00 H new ATOM 0 HD3 ARG A 44 25.359 6.765 -14.816 1.00 0.00 H new ATOM 0 HE ARG A 44 25.692 9.690 -14.937 1.00 0.00 H new ATOM 0 HH11 ARG A 44 26.583 6.536 -16.182 1.00 0.00 H new ATOM 0 HH12 ARG A 44 28.144 7.078 -16.807 1.00 0.00 H new ATOM 0 HH21 ARG A 44 27.694 10.381 -15.747 1.00 0.00 H new ATOM 0 HH22 ARG A 44 28.769 9.240 -16.563 1.00 0.00 H new ATOM 215 N CYS A 45 20.900 7.303 -16.765 1.00 0.00 N ATOM 216 CA CYS A 45 19.949 6.202 -16.624 1.00 0.00 C ATOM 217 C CYS A 45 18.702 6.425 -17.480 1.00 0.00 C ATOM 218 O CYS A 45 17.829 5.560 -17.553 1.00 0.00 O ATOM 219 CB CYS A 45 19.541 6.042 -15.156 1.00 0.00 C ATOM 220 SG CYS A 45 18.399 7.368 -14.698 1.00 0.00 S ATOM 0 H CYS A 45 21.036 7.858 -15.920 1.00 0.00 H new ATOM 0 HA CYS A 45 20.442 5.293 -16.969 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.068 5.072 -15.003 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.424 6.071 -14.517 1.00 0.00 H new ATOM 225 N ARG A 46 18.627 7.584 -18.123 1.00 0.00 N ATOM 226 CA ARG A 46 17.482 7.911 -18.973 1.00 0.00 C ATOM 227 C ARG A 46 16.166 7.624 -18.268 1.00 0.00 C ATOM 228 O ARG A 46 15.193 7.201 -18.893 1.00 0.00 O ATOM 229 CB ARG A 46 17.559 7.130 -20.284 1.00 0.00 C ATOM 230 CG ARG A 46 18.779 7.608 -21.077 1.00 0.00 C ATOM 231 CD ARG A 46 18.830 6.891 -22.422 1.00 0.00 C ATOM 232 NE ARG A 46 19.076 5.468 -22.227 1.00 0.00 N ATOM 233 CZ ARG A 46 19.030 4.617 -23.245 1.00 0.00 C ATOM 234 NH1 ARG A 46 18.763 5.050 -24.446 1.00 0.00 N ATOM 235 NH2 ARG A 46 19.253 3.347 -23.043 1.00 0.00 N1+ ATOM 0 H ARG A 46 19.340 8.312 -18.075 1.00 0.00 H new ATOM 0 HA ARG A 46 17.520 8.979 -19.189 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.636 6.062 -20.082 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.649 7.280 -20.866 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.726 8.686 -21.230 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.691 7.411 -20.514 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.890 7.035 -22.954 1.00 0.00 H new ATOM 0 HD3 ARG A 46 19.617 7.321 -23.042 1.00 0.00 H new ATOM 0 HE ARG A 46 19.287 5.120 -21.292 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.589 6.043 -24.603 1.00 0.00 H new ATOM 0 HH12 ARG A 46 18.728 4.396 -25.228 1.00 0.00 H new ATOM 0 HH21 ARG A 46 19.462 3.009 -22.104 1.00 0.00 H new ATOM 0 HH22 ARG A 46 19.218 2.692 -23.824 1.00 0.00 H new ATOM 249 N LYS A 47 16.137 7.873 -16.962 1.00 0.00 N ATOM 250 CA LYS A 47 14.928 7.656 -16.175 1.00 0.00 C ATOM 251 C LYS A 47 14.101 8.936 -16.123 1.00 0.00 C ATOM 252 O LYS A 47 14.604 10.001 -15.763 1.00 0.00 O ATOM 253 CB LYS A 47 15.298 7.221 -14.755 1.00 0.00 C ATOM 254 CG LYS A 47 14.023 6.907 -13.961 1.00 0.00 C ATOM 255 CD LYS A 47 14.387 6.385 -12.557 1.00 0.00 C ATOM 256 CE LYS A 47 14.631 4.871 -12.601 1.00 0.00 C ATOM 257 NZ LYS A 47 15.104 4.404 -11.266 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.933 8.223 -16.429 1.00 0.00 H new ATOM 0 HA LYS A 47 14.338 6.870 -16.647 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.942 6.342 -14.790 1.00 0.00 H new ATOM 0 HB3 LYS A 47 15.862 8.010 -14.258 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.408 7.803 -13.876 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.429 6.163 -14.491 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.279 6.894 -12.192 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.582 6.611 -11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.713 4.352 -12.875 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.372 4.633 -13.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.634 3.508 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.133 4.259 -11.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.875 5.119 -10.547 1.00 0.00 H new ATOM 271 N VAL A 48 12.828 8.822 -16.483 1.00 0.00 N ATOM 272 CA VAL A 48 11.922 9.971 -16.474 1.00 0.00 C ATOM 273 C VAL A 48 11.245 10.071 -15.108 1.00 0.00 C ATOM 274 O VAL A 48 10.458 9.204 -14.734 1.00 0.00 O ATOM 275 CB VAL A 48 10.863 9.811 -17.587 1.00 0.00 C ATOM 276 CG1 VAL A 48 11.370 10.434 -18.891 1.00 0.00 C ATOM 277 CG2 VAL A 48 10.603 8.323 -17.823 1.00 0.00 C ATOM 0 H VAL A 48 12.397 7.948 -16.785 1.00 0.00 H new ATOM 0 HA VAL A 48 12.487 10.884 -16.660 1.00 0.00 H new ATOM 0 HB VAL A 48 9.946 10.312 -17.278 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.615 10.315 -19.668 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.567 11.495 -18.735 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.289 9.936 -19.199 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.856 8.204 -18.608 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.529 7.835 -18.127 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.238 7.867 -16.903 1.00 0.00 H new ATOM 287 N LYS A 49 11.558 11.145 -14.387 1.00 0.00 N ATOM 288 CA LYS A 49 10.994 11.390 -13.059 1.00 0.00 C ATOM 289 C LYS A 49 10.883 12.891 -12.826 1.00 0.00 C ATOM 290 O LYS A 49 11.411 13.688 -13.598 1.00 0.00 O ATOM 291 CB LYS A 49 11.887 10.766 -11.963 1.00 0.00 C ATOM 292 CG LYS A 49 11.532 9.288 -11.728 1.00 0.00 C ATOM 293 CD LYS A 49 10.321 9.165 -10.790 1.00 0.00 C ATOM 294 CE LYS A 49 9.989 7.686 -10.584 1.00 0.00 C ATOM 295 NZ LYS A 49 11.150 6.991 -9.958 1.00 0.00 N1+ ATOM 0 H LYS A 49 12.206 11.867 -14.703 1.00 0.00 H new ATOM 0 HA LYS A 49 10.007 10.931 -13.009 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.934 10.849 -12.253 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.769 11.323 -11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.312 8.806 -12.680 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.387 8.767 -11.297 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.539 9.637 -9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.463 9.686 -11.215 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.108 7.586 -9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.747 7.221 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.806 6.223 -9.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.760 6.596 -10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.694 7.669 -9.388 1.00 0.00 H new ATOM 309 N GLY A 50 10.213 13.268 -11.741 1.00 0.00 N ATOM 310 CA GLY A 50 10.055 14.680 -11.397 1.00 0.00 C ATOM 311 C GLY A 50 10.949 15.047 -10.215 1.00 0.00 C ATOM 312 O GLY A 50 11.859 14.298 -9.859 1.00 0.00 O ATOM 0 H GLY A 50 9.772 12.621 -11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.307 15.300 -12.257 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.013 14.886 -11.150 1.00 0.00 H new ATOM 316 N ILE A 51 10.700 16.213 -9.630 1.00 0.00 N ATOM 317 CA ILE A 51 11.500 16.691 -8.502 1.00 0.00 C ATOM 318 C ILE A 51 11.667 15.624 -7.413 1.00 0.00 C ATOM 319 O ILE A 51 12.435 15.812 -6.468 1.00 0.00 O ATOM 320 CB ILE A 51 10.839 17.936 -7.906 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.795 18.613 -6.920 1.00 0.00 C ATOM 322 CG2 ILE A 51 9.554 17.543 -7.173 1.00 0.00 C ATOM 323 CD1 ILE A 51 11.256 19.998 -6.579 1.00 0.00 C ATOM 0 H ILE A 51 9.953 16.846 -9.915 1.00 0.00 H new ATOM 0 HA ILE A 51 12.495 16.930 -8.878 1.00 0.00 H new ATOM 0 HB ILE A 51 10.600 18.628 -8.714 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.890 18.013 -6.015 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.791 18.693 -7.356 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.089 18.434 -6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.865 17.071 -7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.792 16.844 -6.371 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.930 20.488 -5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.183 20.594 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.269 19.903 -6.127 1.00 0.00 H new ATOM 335 N ASP A 52 10.972 14.503 -7.552 1.00 0.00 N ATOM 336 CA ASP A 52 11.087 13.426 -6.571 1.00 0.00 C ATOM 337 C ASP A 52 12.453 12.751 -6.693 1.00 0.00 C ATOM 338 O ASP A 52 13.163 12.570 -5.705 1.00 0.00 O ATOM 339 CB ASP A 52 9.978 12.396 -6.802 1.00 0.00 C ATOM 340 CG ASP A 52 8.628 12.980 -6.401 1.00 0.00 C ATOM 341 OD1 ASP A 52 8.622 13.981 -5.704 1.00 0.00 O ATOM 342 OD2 ASP A 52 7.620 12.420 -6.798 1.00 0.00 O1- ATOM 0 H ASP A 52 10.331 14.314 -8.322 1.00 0.00 H new ATOM 0 HA ASP A 52 10.986 13.845 -5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.958 12.101 -7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.180 11.496 -6.221 1.00 0.00 H new ATOM 347 N SER A 53 12.804 12.397 -7.924 1.00 0.00 N ATOM 348 CA SER A 53 14.093 11.751 -8.200 1.00 0.00 C ATOM 349 C SER A 53 15.182 12.792 -8.442 1.00 0.00 C ATOM 350 O SER A 53 16.318 12.451 -8.769 1.00 0.00 O ATOM 351 CB SER A 53 13.987 10.840 -9.420 1.00 0.00 C ATOM 352 OG SER A 53 12.794 10.077 -9.335 1.00 0.00 O ATOM 0 H SER A 53 12.220 12.543 -8.748 1.00 0.00 H new ATOM 0 HA SER A 53 14.358 11.155 -7.327 1.00 0.00 H new ATOM 0 HB2 SER A 53 13.987 11.435 -10.333 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.852 10.179 -9.470 1.00 0.00 H new ATOM 0 HG SER A 53 13.017 9.141 -9.148 1.00 0.00 H new ATOM 358 N TYR A 54 14.832 14.068 -8.275 1.00 0.00 N ATOM 359 CA TYR A 54 15.791 15.162 -8.473 1.00 0.00 C ATOM 360 C TYR A 54 15.805 16.108 -7.270 1.00 0.00 C ATOM 361 O TYR A 54 14.764 16.415 -6.693 1.00 0.00 O ATOM 362 CB TYR A 54 15.425 15.963 -9.741 1.00 0.00 C ATOM 363 CG TYR A 54 16.093 15.371 -10.969 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.655 14.153 -11.500 1.00 0.00 C ATOM 365 CD2 TYR A 54 17.153 16.052 -11.580 1.00 0.00 C ATOM 366 CE1 TYR A 54 16.275 13.618 -12.634 1.00 0.00 C ATOM 367 CE2 TYR A 54 17.772 15.519 -12.706 1.00 0.00 C ATOM 368 CZ TYR A 54 17.338 14.300 -13.238 1.00 0.00 C ATOM 369 OH TYR A 54 17.951 13.775 -14.360 1.00 0.00 O ATOM 0 H TYR A 54 13.897 14.371 -8.004 1.00 0.00 H new ATOM 0 HA TYR A 54 16.782 14.721 -8.585 1.00 0.00 H new ATOM 0 HB2 TYR A 54 14.343 15.964 -9.876 1.00 0.00 H new ATOM 0 HB3 TYR A 54 15.732 17.002 -9.621 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.837 13.625 -11.033 1.00 0.00 H new ATOM 0 HD2 TYR A 54 17.491 16.995 -11.176 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.934 12.679 -13.044 1.00 0.00 H new ATOM 0 HE2 TYR A 54 18.591 16.048 -13.171 1.00 0.00 H new ATOM 0 HH TYR A 54 18.749 14.302 -14.574 1.00 0.00 H new ATOM 379 N SER A 55 17.000 16.585 -6.929 1.00 0.00 N ATOM 380 CA SER A 55 17.159 17.522 -5.827 1.00 0.00 C ATOM 381 C SER A 55 16.549 18.867 -6.210 1.00 0.00 C ATOM 382 O SER A 55 16.347 19.152 -7.391 1.00 0.00 O ATOM 383 CB SER A 55 18.644 17.709 -5.512 1.00 0.00 C ATOM 384 OG SER A 55 18.778 18.557 -4.380 1.00 0.00 O ATOM 0 H SER A 55 17.869 16.337 -7.401 1.00 0.00 H new ATOM 0 HA SER A 55 16.652 17.127 -4.947 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.111 16.744 -5.316 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.158 18.143 -6.370 1.00 0.00 H new ATOM 0 HG SER A 55 19.728 18.679 -4.173 1.00 0.00 H new ATOM 390 N LYS A 56 16.255 19.688 -5.213 1.00 0.00 N ATOM 391 CA LYS A 56 15.663 20.996 -5.465 1.00 0.00 C ATOM 392 C LYS A 56 16.602 21.868 -6.291 1.00 0.00 C ATOM 393 O LYS A 56 16.165 22.582 -7.195 1.00 0.00 O ATOM 394 CB LYS A 56 15.363 21.688 -4.136 1.00 0.00 C ATOM 395 CG LYS A 56 14.251 20.931 -3.409 1.00 0.00 C ATOM 396 CD LYS A 56 13.955 21.621 -2.080 1.00 0.00 C ATOM 397 CE LYS A 56 12.803 20.903 -1.376 1.00 0.00 C ATOM 398 NZ LYS A 56 13.210 19.507 -1.052 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.415 19.475 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 56 14.739 20.853 -6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.261 21.719 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.061 22.721 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.352 20.902 -4.025 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.552 19.898 -3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.843 21.612 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.696 22.666 -2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.532 21.435 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.920 20.896 -2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.575 19.120 -0.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 13.153 18.921 -1.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.187 19.504 -0.696 1.00 0.00 H new ATOM 412 N THR A 57 17.889 21.817 -5.972 1.00 0.00 N ATOM 413 CA THR A 57 18.875 22.617 -6.689 1.00 0.00 C ATOM 414 C THR A 57 18.947 22.220 -8.163 1.00 0.00 C ATOM 415 O THR A 57 18.966 23.081 -9.041 1.00 0.00 O ATOM 416 CB THR A 57 20.255 22.445 -6.043 1.00 0.00 C ATOM 417 OG1 THR A 57 20.141 22.599 -4.634 1.00 0.00 O ATOM 418 CG2 THR A 57 21.213 23.506 -6.590 1.00 0.00 C ATOM 0 H THR A 57 18.273 21.235 -5.227 1.00 0.00 H new ATOM 0 HA THR A 57 18.568 23.661 -6.631 1.00 0.00 H new ATOM 0 HB THR A 57 20.640 21.452 -6.274 1.00 0.00 H new ATOM 0 HG1 THR A 57 20.960 22.278 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.193 23.383 -6.130 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.302 23.393 -7.670 1.00 0.00 H new ATOM 0 HG23 THR A 57 20.826 24.499 -6.360 1.00 0.00 H new ATOM 426 N GLN A 58 18.997 20.916 -8.433 1.00 0.00 N ATOM 427 CA GLN A 58 19.082 20.428 -9.807 1.00 0.00 C ATOM 428 C GLN A 58 17.826 20.779 -10.601 1.00 0.00 C ATOM 429 O GLN A 58 17.904 21.277 -11.722 1.00 0.00 O ATOM 430 CB GLN A 58 19.263 18.909 -9.806 1.00 0.00 C ATOM 431 CG GLN A 58 20.610 18.549 -9.176 1.00 0.00 C ATOM 432 CD GLN A 58 20.810 17.039 -9.211 1.00 0.00 C ATOM 433 OE1 GLN A 58 20.490 16.323 -8.168 1.00 0.00 O flip ATOM 434 NE2 GLN A 58 21.269 16.497 -10.216 1.00 0.00 N flip ATOM 0 H GLN A 58 18.980 20.184 -7.723 1.00 0.00 H new ATOM 0 HA GLN A 58 19.938 20.910 -10.280 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.453 18.437 -9.250 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.214 18.527 -10.826 1.00 0.00 H new ATOM 0 HG2 GLN A 58 21.418 19.044 -9.715 1.00 0.00 H new ATOM 0 HG3 GLN A 58 20.647 18.906 -8.147 1.00 0.00 H new ATOM 0 HE21 GLN A 58 21.518 17.059 -11.030 1.00 0.00 H new ATOM 0 HE22 GLN A 58 21.400 15.486 -10.235 1.00 0.00 H new ATOM 443 N TRP A 59 16.670 20.497 -10.016 1.00 0.00 N ATOM 444 CA TRP A 59 15.402 20.769 -10.682 1.00 0.00 C ATOM 445 C TRP A 59 15.312 22.247 -11.066 1.00 0.00 C ATOM 446 O TRP A 59 14.723 22.602 -12.086 1.00 0.00 O ATOM 447 CB TRP A 59 14.221 20.397 -9.759 1.00 0.00 C ATOM 448 CG TRP A 59 13.039 19.961 -10.573 1.00 0.00 C ATOM 449 CD1 TRP A 59 11.823 20.557 -10.586 1.00 0.00 C ATOM 450 CD2 TRP A 59 12.951 18.832 -11.483 1.00 0.00 C ATOM 451 NE1 TRP A 59 10.995 19.854 -11.450 1.00 0.00 N ATOM 452 CE2 TRP A 59 11.652 18.786 -12.023 1.00 0.00 C ATOM 453 CE3 TRP A 59 13.873 17.853 -11.887 1.00 0.00 C ATOM 454 CZ2 TRP A 59 11.276 17.799 -12.926 1.00 0.00 C ATOM 455 CZ3 TRP A 59 13.499 16.857 -12.796 1.00 0.00 C ATOM 456 CH2 TRP A 59 12.202 16.831 -13.315 1.00 0.00 C ATOM 0 H TRP A 59 16.583 20.083 -9.088 1.00 0.00 H new ATOM 0 HA TRP A 59 15.350 20.163 -11.586 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.519 19.597 -9.081 1.00 0.00 H new ATOM 0 HB3 TRP A 59 13.950 21.253 -9.142 1.00 0.00 H new ATOM 0 HD1 TRP A 59 11.544 21.433 -10.019 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.022 20.097 -11.638 1.00 0.00 H new ATOM 0 HE3 TRP A 59 14.879 17.869 -11.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 10.272 17.781 -13.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 14.215 16.106 -13.097 1.00 0.00 H new ATOM 0 HH2 TRP A 59 11.916 16.062 -14.017 1.00 0.00 H new ATOM 467 N SER A 60 15.894 23.102 -10.233 1.00 0.00 N ATOM 468 CA SER A 60 15.869 24.536 -10.489 1.00 0.00 C ATOM 469 C SER A 60 16.682 24.881 -11.735 1.00 0.00 C ATOM 470 O SER A 60 16.497 25.944 -12.328 1.00 0.00 O ATOM 471 CB SER A 60 16.432 25.299 -9.288 1.00 0.00 C ATOM 472 OG SER A 60 17.845 25.154 -9.256 1.00 0.00 O ATOM 0 H SER A 60 16.385 22.830 -9.381 1.00 0.00 H new ATOM 0 HA SER A 60 14.832 24.830 -10.653 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.165 26.354 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.995 24.919 -8.365 1.00 0.00 H new ATOM 0 HG SER A 60 18.080 24.209 -9.369 1.00 0.00 H new ATOM 478 N LYS A 61 17.584 23.985 -12.127 1.00 0.00 N ATOM 479 CA LYS A 61 18.416 24.226 -13.304 1.00 0.00 C ATOM 480 C LYS A 61 17.628 23.949 -14.575 1.00 0.00 C ATOM 481 O LYS A 61 17.994 24.416 -15.651 1.00 0.00 O ATOM 482 CB LYS A 61 19.648 23.324 -13.278 1.00 0.00 C ATOM 483 CG LYS A 61 20.483 23.637 -12.039 1.00 0.00 C ATOM 484 CD LYS A 61 21.707 22.722 -12.002 1.00 0.00 C ATOM 485 CE LYS A 61 22.486 22.985 -10.716 1.00 0.00 C ATOM 486 NZ LYS A 61 23.674 22.087 -10.655 1.00 0.00 N1+ ATOM 0 H LYS A 61 17.757 23.097 -11.655 1.00 0.00 H new ATOM 0 HA LYS A 61 18.729 25.270 -13.289 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.345 22.277 -13.270 1.00 0.00 H new ATOM 0 HB3 LYS A 61 20.243 23.477 -14.178 1.00 0.00 H new ATOM 0 HG2 LYS A 61 20.797 24.681 -12.054 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.884 23.497 -11.139 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.398 21.678 -12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 61 22.340 22.905 -12.870 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.804 24.027 -10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.845 22.816 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.202 22.269 -9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.361 21.095 -10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 24.289 22.269 -11.473 1.00 0.00 H new ATOM 500 N THR A 62 16.553 23.180 -14.441 1.00 0.00 N ATOM 501 CA THR A 62 15.720 22.835 -15.589 1.00 0.00 C ATOM 502 C THR A 62 14.926 24.043 -16.058 1.00 0.00 C ATOM 503 O THR A 62 14.263 23.996 -17.095 1.00 0.00 O ATOM 504 CB THR A 62 14.755 21.701 -15.232 1.00 0.00 C ATOM 505 OG1 THR A 62 13.863 22.142 -14.221 1.00 0.00 O ATOM 506 CG2 THR A 62 15.542 20.491 -14.729 1.00 0.00 C ATOM 0 H THR A 62 16.239 22.785 -13.555 1.00 0.00 H new ATOM 0 HA THR A 62 16.378 22.506 -16.393 1.00 0.00 H new ATOM 0 HB THR A 62 14.189 21.416 -16.119 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.298 22.833 -13.679 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.851 19.687 -14.476 1.00 0.00 H new ATOM 0 HG22 THR A 62 16.225 20.151 -15.508 1.00 0.00 H new ATOM 0 HG23 THR A 62 16.113 20.771 -13.843 1.00 0.00 H new ATOM 514 N PHE A 63 14.985 25.128 -15.289 1.00 0.00 N ATOM 515 CA PHE A 63 14.263 26.350 -15.629 1.00 0.00 C ATOM 516 C PHE A 63 15.219 27.525 -15.688 1.00 0.00 C ATOM 517 O PHE A 63 16.187 27.593 -14.930 1.00 0.00 O ATOM 518 CB PHE A 63 13.210 26.657 -14.561 1.00 0.00 C ATOM 519 CG PHE A 63 12.377 25.433 -14.299 1.00 0.00 C ATOM 520 CD1 PHE A 63 11.278 25.150 -15.110 1.00 0.00 C ATOM 521 CD2 PHE A 63 12.711 24.584 -13.242 1.00 0.00 C ATOM 522 CE1 PHE A 63 10.507 24.005 -14.864 1.00 0.00 C ATOM 523 CE2 PHE A 63 11.944 23.440 -12.994 1.00 0.00 C ATOM 524 CZ PHE A 63 10.842 23.150 -13.806 1.00 0.00 C ATOM 0 H PHE A 63 15.526 25.185 -14.426 1.00 0.00 H new ATOM 0 HA PHE A 63 13.787 26.200 -16.598 1.00 0.00 H new ATOM 0 HB2 PHE A 63 13.696 26.981 -13.641 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.573 27.478 -14.891 1.00 0.00 H new ATOM 0 HD1 PHE A 63 11.022 25.811 -15.925 1.00 0.00 H new ATOM 0 HD2 PHE A 63 13.561 24.810 -12.616 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.655 23.782 -15.490 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.202 22.782 -12.177 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.250 22.267 -13.617 1.00 0.00 H new ATOM 534 N THR A 64 14.936 28.455 -16.587 1.00 0.00 N ATOM 535 CA THR A 64 15.764 29.646 -16.747 1.00 0.00 C ATOM 536 C THR A 64 14.914 30.892 -16.576 1.00 0.00 C ATOM 537 O THR A 64 13.701 30.864 -16.765 1.00 0.00 O ATOM 538 CB THR A 64 16.418 29.645 -18.140 1.00 0.00 C ATOM 539 OG1 THR A 64 15.487 29.142 -19.088 1.00 0.00 O ATOM 540 CG2 THR A 64 17.677 28.764 -18.132 1.00 0.00 C ATOM 0 H THR A 64 14.137 28.410 -17.220 1.00 0.00 H new ATOM 0 HA THR A 64 16.545 29.641 -15.987 1.00 0.00 H new ATOM 0 HB THR A 64 16.704 30.662 -18.407 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.896 29.140 -19.979 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.132 28.770 -19.123 1.00 0.00 H new ATOM 0 HG22 THR A 64 18.388 29.153 -17.403 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.405 27.743 -17.864 1.00 0.00 H new ATOM 548 N PHE A 65 15.564 31.982 -16.204 1.00 0.00 N ATOM 549 CA PHE A 65 14.876 33.256 -15.998 1.00 0.00 C ATOM 550 C PHE A 65 15.155 34.203 -17.169 1.00 0.00 C ATOM 551 O PHE A 65 16.308 34.522 -17.458 1.00 0.00 O ATOM 552 CB PHE A 65 15.357 33.885 -14.667 1.00 0.00 C ATOM 553 CG PHE A 65 14.172 34.304 -13.823 1.00 0.00 C ATOM 554 CD1 PHE A 65 13.232 33.350 -13.417 1.00 0.00 C ATOM 555 CD2 PHE A 65 14.013 35.646 -13.453 1.00 0.00 C ATOM 556 CE1 PHE A 65 12.133 33.736 -12.644 1.00 0.00 C ATOM 557 CE2 PHE A 65 12.916 36.029 -12.677 1.00 0.00 C ATOM 558 CZ PHE A 65 11.976 35.077 -12.274 1.00 0.00 C ATOM 0 H PHE A 65 16.570 32.015 -16.037 1.00 0.00 H new ATOM 0 HA PHE A 65 13.801 33.085 -15.947 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.967 33.168 -14.118 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.989 34.749 -14.873 1.00 0.00 H new ATOM 0 HD1 PHE A 65 13.356 32.315 -13.701 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.737 36.383 -13.767 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.406 33.001 -12.333 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.794 37.063 -12.388 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.127 35.376 -11.676 1.00 0.00 H new ATOM 568 N VAL A 66 14.089 34.654 -17.834 1.00 0.00 N ATOM 569 CA VAL A 66 14.224 35.572 -18.970 1.00 0.00 C ATOM 570 C VAL A 66 13.312 36.780 -18.778 1.00 0.00 C ATOM 571 O VAL A 66 12.129 36.634 -18.472 1.00 0.00 O ATOM 572 CB VAL A 66 13.877 34.838 -20.272 1.00 0.00 C ATOM 573 CG1 VAL A 66 13.751 35.839 -21.426 1.00 0.00 C ATOM 574 CG2 VAL A 66 14.990 33.839 -20.594 1.00 0.00 C ATOM 0 H VAL A 66 13.127 34.401 -17.608 1.00 0.00 H new ATOM 0 HA VAL A 66 15.254 35.923 -19.028 1.00 0.00 H new ATOM 0 HB VAL A 66 12.928 34.317 -20.147 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.505 35.306 -22.344 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.963 36.557 -21.200 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.696 36.366 -21.555 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.751 33.313 -21.518 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.934 34.372 -20.713 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.080 33.120 -19.780 1.00 0.00 H new ATOM 584 N ARG A 67 13.867 37.971 -18.958 1.00 0.00 N ATOM 585 CA ARG A 67 13.094 39.196 -18.802 1.00 0.00 C ATOM 586 C ARG A 67 12.343 39.206 -17.470 1.00 0.00 C ATOM 587 O ARG A 67 11.315 39.869 -17.337 1.00 0.00 O ATOM 588 CB ARG A 67 12.096 39.334 -19.952 1.00 0.00 C ATOM 589 CG ARG A 67 12.859 39.520 -21.265 1.00 0.00 C ATOM 590 CD ARG A 67 11.866 39.573 -22.427 1.00 0.00 C ATOM 591 NE ARG A 67 11.016 40.751 -22.302 1.00 0.00 N ATOM 592 CZ ARG A 67 10.007 40.963 -23.139 1.00 0.00 C ATOM 593 NH1 ARG A 67 9.758 40.108 -24.094 1.00 0.00 N ATOM 594 NH2 ARG A 67 9.263 42.026 -23.005 1.00 0.00 N1+ ATOM 0 H ARG A 67 14.845 38.115 -19.211 1.00 0.00 H new ATOM 0 HA ARG A 67 13.787 40.037 -18.815 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.464 38.448 -20.008 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.438 40.185 -19.777 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.445 40.438 -21.231 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.561 38.699 -21.410 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.404 39.601 -23.375 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.254 38.671 -22.434 1.00 0.00 H new ATOM 0 HE ARG A 67 11.200 41.424 -21.558 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.339 39.276 -24.198 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.983 40.272 -24.736 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.457 42.693 -22.258 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.488 42.190 -23.647 1.00 0.00 H new ATOM 608 N GLY A 68 12.865 38.478 -16.484 1.00 0.00 N ATOM 609 CA GLY A 68 12.235 38.427 -15.171 1.00 0.00 C ATOM 610 C GLY A 68 11.059 37.460 -15.168 1.00 0.00 C ATOM 611 O GLY A 68 10.226 37.482 -14.261 1.00 0.00 O ATOM 0 H GLY A 68 13.715 37.921 -16.570 1.00 0.00 H new ATOM 0 HA2 GLY A 68 12.967 38.118 -14.424 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.893 39.423 -14.889 1.00 0.00 H new ATOM 615 N ARG A 69 10.996 36.612 -16.191 1.00 0.00 N ATOM 616 CA ARG A 69 9.916 35.631 -16.314 1.00 0.00 C ATOM 617 C ARG A 69 10.478 34.216 -16.270 1.00 0.00 C ATOM 618 O ARG A 69 11.566 33.954 -16.782 1.00 0.00 O ATOM 619 CB ARG A 69 9.181 35.842 -17.639 1.00 0.00 C ATOM 620 CG ARG A 69 8.465 37.193 -17.615 1.00 0.00 C ATOM 621 CD ARG A 69 7.746 37.415 -18.947 1.00 0.00 C ATOM 622 NE ARG A 69 7.078 38.711 -18.944 1.00 0.00 N ATOM 623 CZ ARG A 69 6.445 39.163 -20.023 1.00 0.00 C ATOM 624 NH1 ARG A 69 6.410 38.439 -21.108 1.00 0.00 N ATOM 625 NH2 ARG A 69 5.860 40.328 -19.996 1.00 0.00 N1+ ATOM 0 H ARG A 69 11.679 36.583 -16.948 1.00 0.00 H new ATOM 0 HA ARG A 69 9.224 35.765 -15.482 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.887 35.807 -18.469 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.461 35.040 -17.800 1.00 0.00 H new ATOM 0 HG2 ARG A 69 7.749 37.222 -16.794 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.183 37.994 -17.440 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.461 37.367 -19.768 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.017 36.622 -19.113 1.00 0.00 H new ATOM 0 HE ARG A 69 7.096 39.282 -18.099 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.868 37.528 -21.128 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.925 38.784 -21.936 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.888 40.893 -19.147 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.375 40.674 -20.824 1.00 0.00 H new ATOM 639 N THR A 70 9.732 33.306 -15.651 1.00 0.00 N ATOM 640 CA THR A 70 10.174 31.921 -15.548 1.00 0.00 C ATOM 641 C THR A 70 9.942 31.194 -16.869 1.00 0.00 C ATOM 642 O THR A 70 8.821 31.147 -17.375 1.00 0.00 O ATOM 643 CB THR A 70 9.405 31.214 -14.427 1.00 0.00 C ATOM 644 OG1 THR A 70 9.491 31.986 -13.238 1.00 0.00 O ATOM 645 CG2 THR A 70 10.007 29.828 -14.179 1.00 0.00 C ATOM 0 H THR A 70 8.829 33.500 -15.218 1.00 0.00 H new ATOM 0 HA THR A 70 11.240 31.907 -15.320 1.00 0.00 H new ATOM 0 HB THR A 70 8.361 31.105 -14.719 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.999 31.537 -12.520 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.457 29.330 -13.381 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.941 29.234 -15.091 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.052 29.932 -13.888 1.00 0.00 H new ATOM 653 N VAL A 71 11.013 30.626 -17.425 1.00 0.00 N ATOM 654 CA VAL A 71 10.925 29.896 -18.691 1.00 0.00 C ATOM 655 C VAL A 71 11.652 28.559 -18.587 1.00 0.00 C ATOM 656 O VAL A 71 12.765 28.486 -18.068 1.00 0.00 O ATOM 657 CB VAL A 71 11.534 30.732 -19.822 1.00 0.00 C ATOM 658 CG1 VAL A 71 10.610 31.909 -20.143 1.00 0.00 C ATOM 659 CG2 VAL A 71 12.900 31.273 -19.392 1.00 0.00 C ATOM 0 H VAL A 71 11.949 30.657 -17.020 1.00 0.00 H new ATOM 0 HA VAL A 71 9.874 29.707 -18.910 1.00 0.00 H new ATOM 0 HB VAL A 71 11.653 30.103 -20.704 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.044 32.503 -20.947 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.636 31.532 -20.455 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.492 32.531 -19.256 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.327 31.866 -20.200 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.782 31.898 -18.507 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.565 30.441 -19.162 1.00 0.00 H new ATOM 669 N SER A 72 11.015 27.499 -19.078 1.00 0.00 N ATOM 670 CA SER A 72 11.621 26.172 -19.025 1.00 0.00 C ATOM 671 C SER A 72 12.809 26.092 -19.975 1.00 0.00 C ATOM 672 O SER A 72 12.821 26.729 -21.028 1.00 0.00 O ATOM 673 CB SER A 72 10.589 25.106 -19.400 1.00 0.00 C ATOM 674 OG SER A 72 10.262 25.230 -20.778 1.00 0.00 O ATOM 0 H SER A 72 10.092 27.531 -19.511 1.00 0.00 H new ATOM 0 HA SER A 72 11.969 25.992 -18.008 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.987 24.112 -19.197 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.693 25.221 -18.790 1.00 0.00 H new ATOM 0 HG SER A 72 9.602 24.547 -21.020 1.00 0.00 H new ATOM 680 N VAL A 73 13.809 25.305 -19.592 1.00 0.00 N ATOM 681 CA VAL A 73 15.001 25.148 -20.413 1.00 0.00 C ATOM 682 C VAL A 73 14.677 24.350 -21.674 1.00 0.00 C ATOM 683 O VAL A 73 13.894 23.400 -21.630 1.00 0.00 O ATOM 684 CB VAL A 73 16.095 24.439 -19.622 1.00 0.00 C ATOM 685 CG1 VAL A 73 17.311 24.208 -20.522 1.00 0.00 C ATOM 686 CG2 VAL A 73 16.507 25.314 -18.438 1.00 0.00 C ATOM 0 H VAL A 73 13.817 24.770 -18.724 1.00 0.00 H new ATOM 0 HA VAL A 73 15.354 26.138 -20.702 1.00 0.00 H new ATOM 0 HB VAL A 73 15.720 23.481 -19.263 1.00 0.00 H new ATOM 0 HG11 VAL A 73 18.092 23.701 -19.955 1.00 0.00 H new ATOM 0 HG12 VAL A 73 17.022 23.591 -21.373 1.00 0.00 H new ATOM 0 HG13 VAL A 73 17.686 25.167 -20.880 1.00 0.00 H new ATOM 0 HG21 VAL A 73 17.289 24.811 -17.869 1.00 0.00 H new ATOM 0 HG22 VAL A 73 16.882 26.269 -18.805 1.00 0.00 H new ATOM 0 HG23 VAL A 73 15.644 25.486 -17.795 1.00 0.00 H new ATOM 696 N SER A 74 15.279 24.734 -22.794 1.00 0.00 N ATOM 697 CA SER A 74 15.041 24.035 -24.053 1.00 0.00 C ATOM 698 C SER A 74 15.598 22.612 -24.004 1.00 0.00 C ATOM 699 O SER A 74 14.963 21.671 -24.477 1.00 0.00 O ATOM 700 CB SER A 74 15.693 24.797 -25.207 1.00 0.00 C ATOM 701 OG SER A 74 17.081 24.958 -24.942 1.00 0.00 O ATOM 0 H SER A 74 15.929 25.517 -22.857 1.00 0.00 H new ATOM 0 HA SER A 74 13.964 23.982 -24.211 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.550 24.255 -26.142 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.219 25.771 -25.328 1.00 0.00 H new ATOM 0 HG SER A 74 17.501 25.445 -25.682 1.00 0.00 H new ATOM 707 N ASP A 75 16.791 22.465 -23.433 1.00 0.00 N ATOM 708 CA ASP A 75 17.429 21.153 -23.332 1.00 0.00 C ATOM 709 C ASP A 75 18.338 21.098 -22.104 1.00 0.00 C ATOM 710 O ASP A 75 19.554 21.242 -22.227 1.00 0.00 O ATOM 711 CB ASP A 75 18.260 20.883 -24.585 1.00 0.00 C ATOM 712 CG ASP A 75 17.346 20.598 -25.772 1.00 0.00 C ATOM 713 OD1 ASP A 75 16.707 21.524 -26.240 1.00 0.00 O1- ATOM 714 OD2 ASP A 75 17.302 19.454 -26.199 1.00 0.00 O ATOM 0 H ASP A 75 17.333 23.232 -23.035 1.00 0.00 H new ATOM 0 HA ASP A 75 16.651 20.395 -23.237 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.893 21.743 -24.803 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.923 20.034 -24.415 1.00 0.00 H new ATOM 719 N PRO A 76 17.786 20.909 -20.936 1.00 0.00 N ATOM 720 CA PRO A 76 18.585 20.856 -19.683 1.00 0.00 C ATOM 721 C PRO A 76 19.255 19.505 -19.475 1.00 0.00 C ATOM 722 O PRO A 76 18.671 18.458 -19.756 1.00 0.00 O ATOM 723 CB PRO A 76 17.546 21.149 -18.598 1.00 0.00 C ATOM 724 CG PRO A 76 16.254 20.614 -19.141 1.00 0.00 C ATOM 725 CD PRO A 76 16.347 20.708 -20.674 1.00 0.00 C ATOM 0 HA PRO A 76 19.415 21.562 -19.686 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.810 20.664 -17.658 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.477 22.218 -18.397 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.099 19.582 -18.825 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.408 21.192 -18.768 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.978 19.801 -21.152 1.00 0.00 H new ATOM 0 HD3 PRO A 76 15.752 21.536 -21.059 1.00 0.00 H new ATOM 733 N LYS A 77 20.490 19.538 -18.978 1.00 0.00 N ATOM 734 CA LYS A 77 21.254 18.315 -18.727 1.00 0.00 C ATOM 735 C LYS A 77 21.634 18.221 -17.253 1.00 0.00 C ATOM 736 O LYS A 77 22.482 18.972 -16.772 1.00 0.00 O ATOM 737 CB LYS A 77 22.524 18.310 -19.582 1.00 0.00 C ATOM 738 CG LYS A 77 22.140 18.257 -21.064 1.00 0.00 C ATOM 739 CD LYS A 77 23.397 18.111 -21.932 1.00 0.00 C ATOM 740 CE LYS A 77 24.212 19.407 -21.911 1.00 0.00 C ATOM 741 NZ LYS A 77 25.207 19.379 -23.019 1.00 0.00 N1+ ATOM 0 H LYS A 77 20.984 20.398 -18.741 1.00 0.00 H new ATOM 0 HA LYS A 77 20.635 17.458 -18.990 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.115 19.203 -19.380 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.145 17.452 -19.325 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.466 17.419 -21.243 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.602 19.164 -21.340 1.00 0.00 H new ATOM 0 HD2 LYS A 77 24.006 17.285 -21.566 1.00 0.00 H new ATOM 0 HD3 LYS A 77 23.114 17.868 -22.956 1.00 0.00 H new ATOM 0 HE2 LYS A 77 23.552 20.267 -22.021 1.00 0.00 H new ATOM 0 HE3 LYS A 77 24.720 19.515 -20.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 25.763 20.258 -23.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 25.843 18.565 -22.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 24.711 19.294 -23.929 1.00 0.00 H new ATOM 755 N VAL A 78 21.015 17.280 -16.544 1.00 0.00 N ATOM 756 CA VAL A 78 21.311 17.082 -15.126 1.00 0.00 C ATOM 757 C VAL A 78 21.124 15.612 -14.750 1.00 0.00 C ATOM 758 O VAL A 78 20.288 14.917 -15.326 1.00 0.00 O ATOM 759 CB VAL A 78 20.398 17.973 -14.262 1.00 0.00 C ATOM 760 CG1 VAL A 78 20.937 19.408 -14.252 1.00 0.00 C ATOM 761 CG2 VAL A 78 18.966 17.977 -14.828 1.00 0.00 C ATOM 0 H VAL A 78 20.311 16.647 -16.923 1.00 0.00 H new ATOM 0 HA VAL A 78 22.348 17.362 -14.942 1.00 0.00 H new ATOM 0 HB VAL A 78 20.382 17.576 -13.247 1.00 0.00 H new ATOM 0 HG11 VAL A 78 20.289 20.036 -13.640 1.00 0.00 H new ATOM 0 HG12 VAL A 78 21.945 19.415 -13.838 1.00 0.00 H new ATOM 0 HG13 VAL A 78 20.960 19.795 -15.271 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.331 18.610 -14.208 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.979 18.363 -15.847 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.573 16.960 -14.830 1.00 0.00 H new ATOM 771 N ILE A 79 21.910 15.143 -13.779 1.00 0.00 N ATOM 772 CA ILE A 79 21.818 13.752 -13.333 1.00 0.00 C ATOM 773 C ILE A 79 20.771 13.615 -12.235 1.00 0.00 C ATOM 774 O ILE A 79 20.495 14.566 -11.503 1.00 0.00 O ATOM 775 CB ILE A 79 23.177 13.252 -12.819 1.00 0.00 C ATOM 776 CG1 ILE A 79 24.176 13.195 -13.979 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.011 11.846 -12.226 1.00 0.00 C ATOM 778 CD1 ILE A 79 25.564 12.842 -13.438 1.00 0.00 C ATOM 0 H ILE A 79 22.611 15.700 -13.290 1.00 0.00 H new ATOM 0 HA ILE A 79 21.522 13.143 -14.187 1.00 0.00 H new ATOM 0 HB ILE A 79 23.547 13.934 -12.053 1.00 0.00 H new ATOM 0 HG12 ILE A 79 23.859 12.452 -14.710 1.00 0.00 H new ATOM 0 HG13 ILE A 79 24.208 14.155 -14.494 1.00 0.00 H new ATOM 0 HG21 ILE A 79 23.974 11.489 -11.861 1.00 0.00 H new ATOM 0 HG22 ILE A 79 22.300 11.881 -11.401 1.00 0.00 H new ATOM 0 HG23 ILE A 79 22.641 11.168 -12.995 1.00 0.00 H new ATOM 0 HD11 ILE A 79 26.276 12.801 -14.262 1.00 0.00 H new ATOM 0 HD12 ILE A 79 25.880 13.602 -12.723 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.526 11.872 -12.943 1.00 0.00 H new ATOM 790 N CYS A 80 20.192 12.423 -12.121 1.00 0.00 N ATOM 791 CA CYS A 80 19.177 12.164 -11.103 1.00 0.00 C ATOM 792 C CYS A 80 19.819 11.586 -9.839 1.00 0.00 C ATOM 793 O CYS A 80 20.885 10.978 -9.894 1.00 0.00 O ATOM 794 CB CYS A 80 18.133 11.192 -11.657 1.00 0.00 C ATOM 795 SG CYS A 80 18.805 9.514 -11.663 1.00 0.00 S ATOM 0 H CYS A 80 20.407 11.624 -12.718 1.00 0.00 H new ATOM 0 HA CYS A 80 18.691 13.104 -10.841 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.229 11.230 -11.050 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.850 11.484 -12.668 1.00 0.00 H new ATOM 800 N ARG A 81 19.159 11.777 -8.705 1.00 0.00 N ATOM 801 CA ARG A 81 19.668 11.270 -7.435 1.00 0.00 C ATOM 802 C ARG A 81 19.787 9.746 -7.474 1.00 0.00 C ATOM 803 O ARG A 81 20.635 9.158 -6.805 1.00 0.00 O ATOM 804 CB ARG A 81 18.743 11.691 -6.292 1.00 0.00 C ATOM 805 CG ARG A 81 18.820 13.209 -6.114 1.00 0.00 C ATOM 806 CD ARG A 81 17.823 13.653 -5.043 1.00 0.00 C ATOM 807 NE ARG A 81 18.197 13.101 -3.746 1.00 0.00 N ATOM 808 CZ ARG A 81 17.411 13.248 -2.687 1.00 0.00 C ATOM 809 NH1 ARG A 81 16.275 13.881 -2.800 1.00 0.00 N ATOM 810 NH2 ARG A 81 17.771 12.757 -1.533 1.00 0.00 N1+ ATOM 0 H ARG A 81 18.273 12.277 -8.637 1.00 0.00 H new ATOM 0 HA ARG A 81 20.658 11.693 -7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.718 11.390 -6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 81 19.034 11.190 -5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.830 13.501 -5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.600 13.707 -7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.797 14.741 -4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.819 13.323 -5.311 1.00 0.00 H new ATOM 0 HE ARG A 81 19.077 12.594 -3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.991 14.263 -3.702 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.671 13.994 -1.986 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.657 12.260 -1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.166 12.870 -0.719 1.00 0.00 H new ATOM 824 N THR A 82 18.921 9.121 -8.259 1.00 0.00 N ATOM 825 CA THR A 82 18.917 7.666 -8.390 1.00 0.00 C ATOM 826 C THR A 82 20.205 7.161 -9.044 1.00 0.00 C ATOM 827 O THR A 82 20.717 6.104 -8.677 1.00 0.00 O ATOM 828 CB THR A 82 17.713 7.213 -9.220 1.00 0.00 C ATOM 829 OG1 THR A 82 16.550 7.895 -8.773 1.00 0.00 O ATOM 830 CG2 THR A 82 17.521 5.705 -9.058 1.00 0.00 C ATOM 0 H THR A 82 18.211 9.596 -8.816 1.00 0.00 H new ATOM 0 HA THR A 82 18.851 7.244 -7.387 1.00 0.00 H new ATOM 0 HB THR A 82 17.885 7.443 -10.271 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.778 7.608 -9.304 1.00 0.00 H new ATOM 0 HG21 THR A 82 16.664 5.382 -9.649 1.00 0.00 H new ATOM 0 HG22 THR A 82 18.415 5.185 -9.402 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.347 5.471 -8.008 1.00 0.00 H new ATOM 838 N CYS A 83 20.710 7.904 -10.027 1.00 0.00 N ATOM 839 CA CYS A 83 21.918 7.498 -10.730 1.00 0.00 C ATOM 840 C CYS A 83 23.050 7.251 -9.744 1.00 0.00 C ATOM 841 O CYS A 83 23.428 6.105 -9.498 1.00 0.00 O ATOM 842 CB CYS A 83 22.322 8.589 -11.742 1.00 0.00 C ATOM 843 SG CYS A 83 21.700 8.169 -13.393 1.00 0.00 S ATOM 0 H CYS A 83 20.304 8.782 -10.350 1.00 0.00 H new ATOM 0 HA CYS A 83 21.720 6.569 -11.265 1.00 0.00 H new ATOM 0 HB2 CYS A 83 21.921 9.553 -11.428 1.00 0.00 H new ATOM 0 HB3 CYS A 83 23.407 8.688 -11.768 1.00 0.00 H new ATOM 848 N GLN A 84 23.592 8.330 -9.190 1.00 0.00 N ATOM 849 CA GLN A 84 24.696 8.223 -8.233 1.00 0.00 C ATOM 850 C GLN A 84 25.669 7.116 -8.648 1.00 0.00 C ATOM 851 O GLN A 84 25.687 6.044 -8.044 1.00 0.00 O ATOM 852 CB GLN A 84 24.139 7.925 -6.837 1.00 0.00 C ATOM 853 CG GLN A 84 23.521 9.201 -6.251 1.00 0.00 C ATOM 854 CD GLN A 84 22.653 8.864 -5.041 1.00 0.00 C ATOM 855 OE1 GLN A 84 22.632 7.721 -4.587 1.00 0.00 O ATOM 856 NE2 GLN A 84 21.928 9.803 -4.488 1.00 0.00 N ATOM 0 H GLN A 84 23.290 9.285 -9.383 1.00 0.00 H new ATOM 0 HA GLN A 84 25.236 9.170 -8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 84 23.388 7.137 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 84 24.934 7.561 -6.186 1.00 0.00 H new ATOM 0 HG2 GLN A 84 24.310 9.894 -5.959 1.00 0.00 H new ATOM 0 HG3 GLN A 84 22.920 9.703 -7.009 1.00 0.00 H new ATOM 0 HE21 GLN A 84 21.946 10.750 -4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 84 21.345 9.587 -3.680 1.00 0.00 H new ATOM 865 N PRO A 85 26.456 7.337 -9.675 1.00 0.00 N ATOM 866 CA PRO A 85 27.417 6.311 -10.170 1.00 0.00 C ATOM 867 C PRO A 85 28.596 6.111 -9.218 1.00 0.00 C ATOM 868 O PRO A 85 29.165 5.021 -9.146 1.00 0.00 O ATOM 869 CB PRO A 85 27.871 6.858 -11.531 1.00 0.00 C ATOM 870 CG PRO A 85 27.693 8.341 -11.435 1.00 0.00 C ATOM 871 CD PRO A 85 26.531 8.584 -10.462 1.00 0.00 C ATOM 0 HA PRO A 85 26.961 5.324 -10.244 1.00 0.00 H new ATOM 0 HB2 PRO A 85 28.910 6.598 -11.733 1.00 0.00 H new ATOM 0 HB3 PRO A 85 27.274 6.441 -12.342 1.00 0.00 H new ATOM 0 HG2 PRO A 85 28.605 8.818 -11.075 1.00 0.00 H new ATOM 0 HG3 PRO A 85 27.474 8.769 -12.413 1.00 0.00 H new ATOM 0 HD2 PRO A 85 26.719 9.448 -9.824 1.00 0.00 H new ATOM 0 HD3 PRO A 85 25.599 8.777 -10.994 1.00 0.00 H new ATOM 879 N LYS A 86 28.958 7.163 -8.495 1.00 0.00 N ATOM 880 CA LYS A 86 30.074 7.082 -7.558 1.00 0.00 C ATOM 881 C LYS A 86 30.153 8.344 -6.704 1.00 0.00 C ATOM 882 O LYS A 86 29.724 8.355 -5.550 1.00 0.00 O ATOM 883 CB LYS A 86 31.383 6.890 -8.329 1.00 0.00 C ATOM 884 CG LYS A 86 32.525 6.601 -7.350 1.00 0.00 C ATOM 885 CD LYS A 86 33.800 6.251 -8.128 1.00 0.00 C ATOM 886 CE LYS A 86 34.373 7.506 -8.796 1.00 0.00 C ATOM 887 NZ LYS A 86 35.773 7.239 -9.225 1.00 0.00 N1+ ATOM 0 H LYS A 86 28.501 8.074 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 86 29.914 6.229 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 86 31.281 6.067 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 86 31.608 7.784 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 86 32.702 7.470 -6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 86 32.252 5.776 -6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 86 34.539 5.819 -7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 86 33.579 5.497 -8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 86 33.764 7.785 -9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 86 34.347 8.346 -8.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 36.165 8.089 -9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 36.349 6.992 -8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 35.784 6.449 -9.901 1.00 0.00 H new ATOM 901 N GLN A 87 30.702 9.409 -7.282 1.00 0.00 N ATOM 902 CA GLN A 87 30.834 10.677 -6.569 1.00 0.00 C ATOM 903 C GLN A 87 31.487 10.451 -5.202 1.00 0.00 C ATOM 904 O GLN A 87 32.564 9.863 -5.113 1.00 0.00 O ATOM 905 CB GLN A 87 29.452 11.322 -6.399 1.00 0.00 C ATOM 906 CG GLN A 87 29.604 12.816 -6.090 1.00 0.00 C ATOM 907 CD GLN A 87 28.229 13.448 -5.901 1.00 0.00 C ATOM 908 OE1 GLN A 87 27.220 12.744 -5.868 1.00 0.00 O ATOM 909 NE2 GLN A 87 28.125 14.744 -5.774 1.00 0.00 N ATOM 0 H GLN A 87 31.061 9.420 -8.237 1.00 0.00 H new ATOM 0 HA GLN A 87 31.469 11.347 -7.149 1.00 0.00 H new ATOM 0 HB2 GLN A 87 28.865 11.188 -7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 87 28.908 10.829 -5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 87 30.203 12.951 -5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 87 30.134 13.313 -6.903 1.00 0.00 H new ATOM 0 HE21 GLN A 87 28.961 15.328 -5.801 1.00 0.00 H new ATOM 0 HE22 GLN A 87 27.208 15.172 -5.648 1.00 0.00 H new ATOM 918 N HIS A 88 30.835 10.923 -4.141 1.00 0.00 N ATOM 919 CA HIS A 88 31.366 10.766 -2.788 1.00 0.00 C ATOM 920 C HIS A 88 32.873 11.010 -2.764 1.00 0.00 C ATOM 921 O HIS A 88 33.663 10.067 -2.784 1.00 0.00 O ATOM 922 CB HIS A 88 31.074 9.357 -2.268 1.00 0.00 C ATOM 923 CG HIS A 88 31.591 9.227 -0.860 1.00 0.00 C ATOM 924 ND1 HIS A 88 30.956 9.824 0.218 1.00 0.00 N ATOM 925 CD2 HIS A 88 32.680 8.573 -0.338 1.00 0.00 C ATOM 926 CE1 HIS A 88 31.661 9.520 1.324 1.00 0.00 C ATOM 927 NE2 HIS A 88 32.722 8.760 1.042 1.00 0.00 N ATOM 0 H HIS A 88 29.943 11.415 -4.191 1.00 0.00 H new ATOM 0 HA HIS A 88 30.879 11.501 -2.147 1.00 0.00 H new ATOM 0 HB2 HIS A 88 30.002 9.163 -2.293 1.00 0.00 H new ATOM 0 HB3 HIS A 88 31.547 8.615 -2.911 1.00 0.00 H new ATOM 0 HD2 HIS A 88 33.395 8.001 -0.910 1.00 0.00 H new ATOM 0 HE1 HIS A 88 31.400 9.851 2.318 1.00 0.00 H new ATOM 0 HE2 HIS A 88 33.414 8.395 1.696 1.00 0.00 H new ATOM 935 N ASP A 89 33.261 12.281 -2.718 1.00 0.00 N ATOM 936 CA ASP A 89 34.675 12.641 -2.687 1.00 0.00 C ATOM 937 C ASP A 89 34.857 14.049 -2.136 1.00 0.00 C ATOM 938 O ASP A 89 33.924 14.851 -2.138 1.00 0.00 O ATOM 939 CB ASP A 89 35.265 12.566 -4.097 1.00 0.00 C ATOM 940 CG ASP A 89 35.372 11.112 -4.542 1.00 0.00 C ATOM 941 OD1 ASP A 89 36.003 10.343 -3.836 1.00 0.00 O ATOM 942 OD2 ASP A 89 34.819 10.790 -5.581 1.00 0.00 O1- ATOM 0 H ASP A 89 32.621 13.075 -2.701 1.00 0.00 H new ATOM 0 HA ASP A 89 35.194 11.937 -2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 89 34.637 13.122 -4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 89 36.250 13.033 -4.113 1.00 0.00 H new ATOM 947 N SER A 90 36.065 14.344 -1.664 1.00 0.00 N ATOM 948 CA SER A 90 36.362 15.658 -1.106 1.00 0.00 C ATOM 949 C SER A 90 36.082 16.753 -2.128 1.00 0.00 C ATOM 950 O SER A 90 35.786 16.470 -3.288 1.00 0.00 O ATOM 951 CB SER A 90 37.833 15.712 -0.690 1.00 0.00 C ATOM 952 OG SER A 90 38.052 14.804 0.382 1.00 0.00 O ATOM 0 H SER A 90 36.851 13.693 -1.657 1.00 0.00 H new ATOM 0 HA SER A 90 35.724 15.822 -0.238 1.00 0.00 H new ATOM 0 HB2 SER A 90 38.471 15.455 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 90 38.100 16.724 -0.385 1.00 0.00 H new ATOM 0 HG SER A 90 38.994 14.835 0.650 1.00 0.00 H new ATOM 958 N ILE A 91 36.174 18.010 -1.689 1.00 0.00 N ATOM 959 CA ILE A 91 35.923 19.149 -2.582 1.00 0.00 C ATOM 960 C ILE A 91 36.995 20.225 -2.403 1.00 0.00 C ATOM 961 O ILE A 91 37.391 20.538 -1.282 1.00 0.00 O ATOM 962 CB ILE A 91 34.539 19.738 -2.298 1.00 0.00 C ATOM 963 CG1 ILE A 91 33.475 18.652 -2.502 1.00 0.00 C ATOM 964 CG2 ILE A 91 34.265 20.895 -3.264 1.00 0.00 C ATOM 965 CD1 ILE A 91 32.096 19.195 -2.114 1.00 0.00 C ATOM 0 H ILE A 91 36.417 18.266 -0.732 1.00 0.00 H new ATOM 0 HA ILE A 91 35.960 18.795 -3.612 1.00 0.00 H new ATOM 0 HB ILE A 91 34.505 20.103 -1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 91 33.468 18.328 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 91 33.715 17.777 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 91 33.279 21.313 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 91 35.022 21.668 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 91 34.299 20.528 -4.290 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.345 18.419 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 91 32.105 19.497 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 91 31.855 20.056 -2.738 1.00 0.00 H new ATOM 977 N TRP A 92 37.452 20.792 -3.520 1.00 0.00 N ATOM 978 CA TRP A 92 38.476 21.837 -3.480 1.00 0.00 C ATOM 979 C TRP A 92 37.841 23.208 -3.260 1.00 0.00 C ATOM 980 O TRP A 92 36.811 23.530 -3.853 1.00 0.00 O ATOM 981 CB TRP A 92 39.264 21.853 -4.793 1.00 0.00 C ATOM 982 CG TRP A 92 40.456 22.750 -4.655 1.00 0.00 C ATOM 983 CD1 TRP A 92 40.409 24.101 -4.556 1.00 0.00 C ATOM 984 CD2 TRP A 92 41.868 22.389 -4.601 1.00 0.00 C ATOM 985 NE1 TRP A 92 41.694 24.591 -4.449 1.00 0.00 N ATOM 986 CE2 TRP A 92 42.631 23.575 -4.469 1.00 0.00 C ATOM 987 CE3 TRP A 92 42.553 21.162 -4.654 1.00 0.00 C ATOM 988 CZ2 TRP A 92 44.024 23.542 -4.392 1.00 0.00 C ATOM 989 CZ3 TRP A 92 43.954 21.125 -4.577 1.00 0.00 C ATOM 990 CH2 TRP A 92 44.689 22.312 -4.445 1.00 0.00 C ATOM 0 H TRP A 92 37.132 20.548 -4.457 1.00 0.00 H new ATOM 0 HA TRP A 92 39.149 21.619 -2.651 1.00 0.00 H new ATOM 0 HB2 TRP A 92 39.584 20.843 -5.048 1.00 0.00 H new ATOM 0 HB3 TRP A 92 38.627 22.201 -5.606 1.00 0.00 H new ATOM 0 HD1 TRP A 92 39.509 24.698 -4.560 1.00 0.00 H new ATOM 0 HE1 TRP A 92 41.924 25.581 -4.365 1.00 0.00 H new ATOM 0 HE3 TRP A 92 41.997 20.242 -4.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 44.585 24.460 -4.292 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 44.469 20.177 -4.620 1.00 0.00 H new ATOM 0 HH2 TRP A 92 45.767 22.277 -4.384 1.00 0.00 H new ATOM 1001 N CYS A 93 38.471 24.014 -2.406 1.00 0.00 N ATOM 1002 CA CYS A 93 37.974 25.359 -2.108 1.00 0.00 C ATOM 1003 C CYS A 93 38.899 26.417 -2.688 1.00 0.00 C ATOM 1004 O CYS A 93 40.121 26.305 -2.602 1.00 0.00 O ATOM 1005 CB CYS A 93 37.884 25.566 -0.599 1.00 0.00 C ATOM 1006 SG CYS A 93 37.556 27.312 -0.243 1.00 0.00 S ATOM 0 H CYS A 93 39.325 23.761 -1.909 1.00 0.00 H new ATOM 0 HA CYS A 93 36.986 25.456 -2.557 1.00 0.00 H new ATOM 0 HB2 CYS A 93 37.091 24.945 -0.183 1.00 0.00 H new ATOM 0 HB3 CYS A 93 38.814 25.256 -0.123 1.00 0.00 H new ATOM 1011 N THR A 94 38.306 27.455 -3.271 1.00 0.00 N ATOM 1012 CA THR A 94 39.084 28.543 -3.851 1.00 0.00 C ATOM 1013 C THR A 94 39.200 29.696 -2.850 1.00 0.00 C ATOM 1014 O THR A 94 39.998 30.613 -3.039 1.00 0.00 O ATOM 1015 CB THR A 94 38.410 29.037 -5.131 1.00 0.00 C ATOM 1016 OG1 THR A 94 37.250 29.788 -4.797 1.00 0.00 O ATOM 1017 CG2 THR A 94 38.006 27.837 -5.991 1.00 0.00 C ATOM 0 H THR A 94 37.295 27.565 -3.354 1.00 0.00 H new ATOM 0 HA THR A 94 40.083 28.177 -4.089 1.00 0.00 H new ATOM 0 HB THR A 94 39.105 29.667 -5.686 1.00 0.00 H new ATOM 0 HG1 THR A 94 36.819 30.106 -5.618 1.00 0.00 H new ATOM 0 HG21 THR A 94 37.525 28.189 -6.904 1.00 0.00 H new ATOM 0 HG22 THR A 94 38.893 27.258 -6.248 1.00 0.00 H new ATOM 0 HG23 THR A 94 37.311 27.208 -5.434 1.00 0.00 H new ATOM 1025 N ALA A 95 38.397 29.640 -1.781 1.00 0.00 N ATOM 1026 CA ALA A 95 38.415 30.679 -0.758 1.00 0.00 C ATOM 1027 C ALA A 95 39.517 30.411 0.257 1.00 0.00 C ATOM 1028 O ALA A 95 39.976 31.325 0.945 1.00 0.00 O ATOM 1029 CB ALA A 95 37.062 30.733 -0.042 1.00 0.00 C ATOM 0 H ALA A 95 37.731 28.887 -1.607 1.00 0.00 H new ATOM 0 HA ALA A 95 38.607 31.636 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 95 37.085 31.512 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 95 36.277 30.955 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 95 36.861 29.771 0.428 1.00 0.00 H new ATOM 1035 N CYS A 96 39.951 29.154 0.343 1.00 0.00 N ATOM 1036 CA CYS A 96 41.016 28.765 1.271 1.00 0.00 C ATOM 1037 C CYS A 96 42.177 28.155 0.492 1.00 0.00 C ATOM 1038 O CYS A 96 43.255 27.929 1.039 1.00 0.00 O ATOM 1039 CB CYS A 96 40.491 27.737 2.274 1.00 0.00 C ATOM 1040 SG CYS A 96 38.993 28.371 3.067 1.00 0.00 S ATOM 0 H CYS A 96 39.582 28.386 -0.218 1.00 0.00 H new ATOM 0 HA CYS A 96 41.356 29.651 1.807 1.00 0.00 H new ATOM 0 HB2 CYS A 96 40.276 26.797 1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 96 41.251 27.527 3.026 1.00 0.00 H new ATOM 1045 N GLN A 97 41.930 27.883 -0.785 1.00 0.00 N ATOM 1046 CA GLN A 97 42.947 27.291 -1.647 1.00 0.00 C ATOM 1047 C GLN A 97 43.445 25.980 -1.050 1.00 0.00 C ATOM 1048 O GLN A 97 44.625 25.646 -1.158 1.00 0.00 O ATOM 1049 CB GLN A 97 44.128 28.251 -1.813 1.00 0.00 C ATOM 1050 CG GLN A 97 43.683 29.486 -2.596 1.00 0.00 C ATOM 1051 CD GLN A 97 44.823 30.496 -2.662 1.00 0.00 C ATOM 1052 OE1 GLN A 97 45.499 30.735 -1.661 1.00 0.00 O ATOM 1053 NE2 GLN A 97 45.080 31.107 -3.786 1.00 0.00 N ATOM 0 H GLN A 97 41.037 28.062 -1.245 1.00 0.00 H new ATOM 0 HA GLN A 97 42.500 27.098 -2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 97 44.509 28.546 -0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 97 44.944 27.752 -2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 97 43.380 29.199 -3.603 1.00 0.00 H new ATOM 0 HG3 GLN A 97 42.813 29.937 -2.118 1.00 0.00 H new ATOM 0 HE21 GLN A 97 44.519 30.908 -4.614 1.00 0.00 H new ATOM 0 HE22 GLN A 97 45.842 31.784 -3.836 1.00 0.00 H new ATOM 1062 N GLN A 98 42.539 25.239 -0.412 1.00 0.00 N ATOM 1063 CA GLN A 98 42.900 23.963 0.205 1.00 0.00 C ATOM 1064 C GLN A 98 41.790 22.938 0.013 1.00 0.00 C ATOM 1065 O GLN A 98 40.626 23.291 -0.176 1.00 0.00 O ATOM 1066 CB GLN A 98 43.168 24.167 1.701 1.00 0.00 C ATOM 1067 CG GLN A 98 43.601 22.845 2.341 1.00 0.00 C ATOM 1068 CD GLN A 98 44.031 23.084 3.786 1.00 0.00 C ATOM 1069 OE1 GLN A 98 43.342 23.781 4.531 1.00 0.00 O ATOM 1070 NE2 GLN A 98 45.136 22.546 4.228 1.00 0.00 N ATOM 0 H GLN A 98 41.558 25.497 -0.309 1.00 0.00 H new ATOM 0 HA GLN A 98 43.803 23.588 -0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 98 43.944 24.919 1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 98 42.270 24.541 2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 98 42.779 22.130 2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 98 44.424 22.409 1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 98 45.705 21.969 3.609 1.00 0.00 H new ATOM 0 HE22 GLN A 98 45.430 22.703 5.192 1.00 0.00 H new ATOM 1079 N THR A 99 42.162 21.662 0.065 1.00 0.00 N ATOM 1080 CA THR A 99 41.199 20.581 -0.102 1.00 0.00 C ATOM 1081 C THR A 99 40.550 20.238 1.232 1.00 0.00 C ATOM 1082 O THR A 99 41.211 20.215 2.270 1.00 0.00 O ATOM 1083 CB THR A 99 41.890 19.341 -0.669 1.00 0.00 C ATOM 1084 OG1 THR A 99 42.456 19.656 -1.931 1.00 0.00 O ATOM 1085 CG2 THR A 99 40.867 18.214 -0.834 1.00 0.00 C ATOM 0 H THR A 99 43.121 21.353 0.221 1.00 0.00 H new ATOM 0 HA THR A 99 40.428 20.912 -0.798 1.00 0.00 H new ATOM 0 HB THR A 99 42.676 19.017 0.014 1.00 0.00 H new ATOM 0 HG1 THR A 99 41.866 20.276 -2.409 1.00 0.00 H new ATOM 0 HG21 THR A 99 41.361 17.331 -1.238 1.00 0.00 H new ATOM 0 HG22 THR A 99 40.431 17.974 0.136 1.00 0.00 H new ATOM 0 HG23 THR A 99 40.080 18.534 -1.517 1.00 0.00 H new ATOM 1093 N LYS A 100 39.251 19.960 1.192 1.00 0.00 N ATOM 1094 CA LYS A 100 38.502 19.599 2.396 1.00 0.00 C ATOM 1095 C LYS A 100 37.590 18.422 2.119 1.00 0.00 C ATOM 1096 O LYS A 100 37.080 18.265 1.011 1.00 0.00 O ATOM 1097 CB LYS A 100 37.655 20.774 2.872 1.00 0.00 C ATOM 1098 CG LYS A 100 38.544 21.947 3.302 1.00 0.00 C ATOM 1099 CD LYS A 100 39.357 21.563 4.550 1.00 0.00 C ATOM 1100 CE LYS A 100 39.801 22.823 5.284 1.00 0.00 C ATOM 1101 NZ LYS A 100 40.694 23.627 4.403 1.00 0.00 N1+ ATOM 0 H LYS A 100 38.692 19.977 0.339 1.00 0.00 H new ATOM 0 HA LYS A 100 39.222 19.331 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 100 36.986 21.093 2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 100 37.028 20.462 3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 100 39.217 22.220 2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 100 37.929 22.821 3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 100 38.754 20.940 5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 100 40.227 20.973 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 100 38.931 23.413 5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 100 40.324 22.556 6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 41.643 23.678 4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 40.754 23.178 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 40.309 24.588 4.302 1.00 0.00 H new ATOM 1115 N GLY A 101 37.389 17.600 3.135 1.00 0.00 N ATOM 1116 CA GLY A 101 36.533 16.430 2.991 1.00 0.00 C ATOM 1117 C GLY A 101 35.101 16.834 2.680 1.00 0.00 C ATOM 1118 O GLY A 101 34.719 17.993 2.836 1.00 0.00 O ATOM 0 H GLY A 101 37.801 17.717 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 101 36.915 15.792 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 101 36.557 15.843 3.909 1.00 0.00 H new ATOM 1122 N ILE A 102 34.317 15.863 2.234 1.00 0.00 N ATOM 1123 CA ILE A 102 32.923 16.108 1.893 1.00 0.00 C ATOM 1124 C ILE A 102 32.095 16.396 3.144 1.00 0.00 C ATOM 1125 O ILE A 102 31.134 17.164 3.101 1.00 0.00 O ATOM 1126 CB ILE A 102 32.355 14.892 1.153 1.00 0.00 C ATOM 1127 CG1 ILE A 102 30.987 15.243 0.564 1.00 0.00 C ATOM 1128 CG2 ILE A 102 32.200 13.721 2.125 1.00 0.00 C ATOM 1129 CD1 ILE A 102 30.568 14.149 -0.418 1.00 0.00 C ATOM 0 H ILE A 102 34.622 14.899 2.100 1.00 0.00 H new ATOM 0 HA ILE A 102 32.872 16.984 1.247 1.00 0.00 H new ATOM 0 HB ILE A 102 33.038 14.611 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 102 30.248 15.337 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 102 31.032 16.206 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 102 31.796 12.859 1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 102 33.173 13.465 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 102 31.521 14.003 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 102 29.594 14.394 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 102 31.304 14.078 -1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 102 30.507 13.195 0.105 1.00 0.00 H new ATOM 1141 N ASN A 103 32.470 15.770 4.255 1.00 0.00 N ATOM 1142 CA ASN A 103 31.748 15.961 5.511 1.00 0.00 C ATOM 1143 C ASN A 103 31.806 17.424 5.947 1.00 0.00 C ATOM 1144 O ASN A 103 30.814 17.981 6.417 1.00 0.00 O ATOM 1145 CB ASN A 103 32.361 15.074 6.602 1.00 0.00 C ATOM 1146 CG ASN A 103 31.922 13.624 6.412 1.00 0.00 C ATOM 1147 OD1 ASN A 103 32.760 12.738 6.243 1.00 0.00 O ATOM 1148 ND2 ASN A 103 30.651 13.328 6.436 1.00 0.00 N ATOM 0 H ASN A 103 33.263 15.131 4.313 1.00 0.00 H new ATOM 0 HA ASN A 103 30.705 15.683 5.358 1.00 0.00 H new ATOM 0 HB2 ASN A 103 33.448 15.140 6.566 1.00 0.00 H new ATOM 0 HB3 ASN A 103 32.053 15.429 7.585 1.00 0.00 H new ATOM 0 HD21 ASN A 103 30.350 12.361 6.315 1.00 0.00 H new ATOM 0 HD22 ASN A 103 29.959 14.064 6.576 1.00 0.00 H new ATOM 1155 N GLU A 104 32.975 18.037 5.790 1.00 0.00 N ATOM 1156 CA GLU A 104 33.155 19.434 6.170 1.00 0.00 C ATOM 1157 C GLU A 104 32.611 20.352 5.085 1.00 0.00 C ATOM 1158 O GLU A 104 32.750 21.573 5.161 1.00 0.00 O ATOM 1159 CB GLU A 104 34.641 19.723 6.391 1.00 0.00 C ATOM 1160 CG GLU A 104 35.171 18.859 7.539 1.00 0.00 C ATOM 1161 CD GLU A 104 34.473 19.226 8.845 1.00 0.00 C ATOM 1162 OE1 GLU A 104 34.465 20.399 9.182 1.00 0.00 O ATOM 1163 OE2 GLU A 104 33.954 18.328 9.489 1.00 0.00 O1- ATOM 0 H GLU A 104 33.808 17.591 5.404 1.00 0.00 H new ATOM 0 HA GLU A 104 32.608 19.619 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 104 35.201 19.516 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 104 34.786 20.779 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 104 35.007 17.805 7.315 1.00 0.00 H new ATOM 0 HG3 GLU A 104 36.247 19.000 7.642 1.00 0.00 H new ATOM 1170 N PHE A 105 31.987 19.753 4.068 1.00 0.00 N ATOM 1171 CA PHE A 105 31.420 20.517 2.954 1.00 0.00 C ATOM 1172 C PHE A 105 29.921 20.243 2.817 1.00 0.00 C ATOM 1173 O PHE A 105 29.463 19.113 2.986 1.00 0.00 O ATOM 1174 CB PHE A 105 32.156 20.135 1.646 1.00 0.00 C ATOM 1175 CG PHE A 105 32.908 21.328 1.098 1.00 0.00 C ATOM 1176 CD1 PHE A 105 34.200 21.606 1.551 1.00 0.00 C ATOM 1177 CD2 PHE A 105 32.305 22.158 0.147 1.00 0.00 C ATOM 1178 CE1 PHE A 105 34.891 22.712 1.050 1.00 0.00 C ATOM 1179 CE2 PHE A 105 32.998 23.264 -0.352 1.00 0.00 C ATOM 1180 CZ PHE A 105 34.289 23.542 0.099 1.00 0.00 C ATOM 0 H PHE A 105 31.862 18.744 3.993 1.00 0.00 H new ATOM 0 HA PHE A 105 31.552 21.581 3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 105 32.849 19.316 1.837 1.00 0.00 H new ATOM 0 HB3 PHE A 105 31.438 19.779 0.907 1.00 0.00 H new ATOM 0 HD1 PHE A 105 34.664 20.967 2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 105 31.305 21.944 -0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 105 35.891 22.926 1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 105 32.534 23.904 -1.088 1.00 0.00 H new ATOM 0 HZ PHE A 105 34.823 24.398 -0.286 1.00 0.00 H new ATOM 1190 N SER A 106 29.169 21.295 2.498 1.00 0.00 N ATOM 1191 CA SER A 106 27.725 21.177 2.324 1.00 0.00 C ATOM 1192 C SER A 106 27.387 20.782 0.889 1.00 0.00 C ATOM 1193 O SER A 106 28.213 20.912 -0.015 1.00 0.00 O ATOM 1194 CB SER A 106 27.054 22.509 2.657 1.00 0.00 C ATOM 1195 OG SER A 106 25.648 22.381 2.484 1.00 0.00 O ATOM 0 H SER A 106 29.536 22.236 2.355 1.00 0.00 H new ATOM 0 HA SER A 106 27.358 20.403 2.997 1.00 0.00 H new ATOM 0 HB2 SER A 106 27.281 22.798 3.683 1.00 0.00 H new ATOM 0 HB3 SER A 106 27.442 23.297 2.011 1.00 0.00 H new ATOM 0 HG SER A 106 25.213 23.233 2.698 1.00 0.00 H new ATOM 1201 N LYS A 107 26.159 20.320 0.684 1.00 0.00 N ATOM 1202 CA LYS A 107 25.705 19.932 -0.647 1.00 0.00 C ATOM 1203 C LYS A 107 25.491 21.167 -1.521 1.00 0.00 C ATOM 1204 O LYS A 107 25.765 21.148 -2.719 1.00 0.00 O ATOM 1205 CB LYS A 107 24.410 19.131 -0.548 1.00 0.00 C ATOM 1206 CG LYS A 107 24.708 17.774 0.091 1.00 0.00 C ATOM 1207 CD LYS A 107 23.421 16.953 0.177 1.00 0.00 C ATOM 1208 CE LYS A 107 23.730 15.586 0.788 1.00 0.00 C ATOM 1209 NZ LYS A 107 22.483 14.777 0.853 1.00 0.00 N1+ ATOM 0 H LYS A 107 25.462 20.205 1.419 1.00 0.00 H new ATOM 0 HA LYS A 107 26.473 19.309 -1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 107 23.677 19.674 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 107 23.977 18.993 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 107 25.453 17.239 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 107 25.129 17.914 1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 107 22.683 17.476 0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 107 22.988 16.830 -0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 107 24.480 15.070 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 107 24.149 15.709 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 22.694 13.847 1.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 21.781 15.268 1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 22.102 14.649 -0.106 1.00 0.00 H new ATOM 1223 N ALA A 108 24.984 22.236 -0.914 1.00 0.00 N ATOM 1224 CA ALA A 108 24.724 23.469 -1.650 1.00 0.00 C ATOM 1225 C ALA A 108 26.011 24.023 -2.252 1.00 0.00 C ATOM 1226 O ALA A 108 26.016 24.518 -3.379 1.00 0.00 O ATOM 1227 CB ALA A 108 24.109 24.514 -0.716 1.00 0.00 C ATOM 0 H ALA A 108 24.747 22.274 0.077 1.00 0.00 H new ATOM 0 HA ALA A 108 24.028 23.243 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 108 23.918 25.432 -1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 108 23.171 24.133 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 108 24.799 24.723 0.101 1.00 0.00 H new ATOM 1233 N GLN A 109 27.101 23.939 -1.498 1.00 0.00 N ATOM 1234 CA GLN A 109 28.383 24.437 -1.978 1.00 0.00 C ATOM 1235 C GLN A 109 28.981 23.467 -2.999 1.00 0.00 C ATOM 1236 O GLN A 109 29.890 23.814 -3.748 1.00 0.00 O ATOM 1237 CB GLN A 109 29.344 24.630 -0.801 1.00 0.00 C ATOM 1238 CG GLN A 109 29.000 25.927 -0.062 1.00 0.00 C ATOM 1239 CD GLN A 109 27.564 25.876 0.452 1.00 0.00 C ATOM 1240 OE1 GLN A 109 26.620 25.995 -0.328 1.00 0.00 O ATOM 1241 NE2 GLN A 109 27.342 25.705 1.726 1.00 0.00 N ATOM 0 H GLN A 109 27.123 23.535 -0.562 1.00 0.00 H new ATOM 0 HA GLN A 109 28.227 25.399 -2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 109 29.275 23.782 -0.119 1.00 0.00 H new ATOM 0 HB3 GLN A 109 30.372 24.667 -1.161 1.00 0.00 H new ATOM 0 HG2 GLN A 109 29.687 26.072 0.771 1.00 0.00 H new ATOM 0 HG3 GLN A 109 29.125 26.779 -0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 109 28.126 25.606 2.372 1.00 0.00 H new ATOM 0 HE22 GLN A 109 26.385 25.670 2.077 1.00 0.00 H new ATOM 1250 N ARG A 110 28.464 22.248 -3.019 1.00 0.00 N ATOM 1251 CA ARG A 110 28.941 21.236 -3.952 1.00 0.00 C ATOM 1252 C ARG A 110 28.324 21.443 -5.336 1.00 0.00 C ATOM 1253 O ARG A 110 28.846 20.952 -6.338 1.00 0.00 O ATOM 1254 CB ARG A 110 28.574 19.847 -3.427 1.00 0.00 C ATOM 1255 CG ARG A 110 29.135 18.769 -4.352 1.00 0.00 C ATOM 1256 CD ARG A 110 28.905 17.400 -3.711 1.00 0.00 C ATOM 1257 NE ARG A 110 27.481 17.102 -3.636 1.00 0.00 N ATOM 1258 CZ ARG A 110 27.040 16.026 -2.992 1.00 0.00 C ATOM 1259 NH1 ARG A 110 27.888 15.229 -2.401 1.00 0.00 N ATOM 1260 NH2 ARG A 110 25.761 15.767 -2.946 1.00 0.00 N1+ ATOM 0 H ARG A 110 27.715 21.935 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 110 30.024 21.323 -4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 110 28.970 19.714 -2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 110 27.490 19.750 -3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 110 28.647 18.816 -5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 110 30.199 18.933 -4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 110 29.413 16.630 -4.292 1.00 0.00 H new ATOM 0 HD3 ARG A 110 29.339 17.383 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 110 26.812 17.728 -4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 110 28.887 15.432 -2.434 1.00 0.00 H new ATOM 0 HH12 ARG A 110 27.552 14.403 -1.906 1.00 0.00 H new ATOM 0 HH21 ARG A 110 25.097 16.391 -3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 110 25.425 14.941 -2.451 1.00 0.00 H new ATOM 1274 N HIS A 111 27.200 22.164 -5.383 1.00 0.00 N ATOM 1275 CA HIS A 111 26.508 22.421 -6.650 1.00 0.00 C ATOM 1276 C HIS A 111 27.078 23.646 -7.365 1.00 0.00 C ATOM 1277 O HIS A 111 27.277 23.624 -8.580 1.00 0.00 O ATOM 1278 CB HIS A 111 25.014 22.646 -6.391 1.00 0.00 C ATOM 1279 CG HIS A 111 24.385 21.364 -5.919 1.00 0.00 C ATOM 1280 ND1 HIS A 111 23.047 21.283 -5.563 1.00 0.00 N ATOM 1281 CD2 HIS A 111 24.898 20.105 -5.730 1.00 0.00 C ATOM 1282 CE1 HIS A 111 22.804 20.016 -5.183 1.00 0.00 C ATOM 1283 NE2 HIS A 111 23.898 19.256 -5.265 1.00 0.00 N ATOM 0 H HIS A 111 26.752 22.577 -4.565 1.00 0.00 H new ATOM 0 HA HIS A 111 26.654 21.549 -7.288 1.00 0.00 H new ATOM 0 HB2 HIS A 111 24.878 23.427 -5.643 1.00 0.00 H new ATOM 0 HB3 HIS A 111 24.524 22.989 -7.302 1.00 0.00 H new ATOM 0 HD2 HIS A 111 25.922 19.817 -5.914 1.00 0.00 H new ATOM 0 HE1 HIS A 111 21.841 19.657 -4.852 1.00 0.00 H new ATOM 0 HE2 HIS A 111 23.983 18.266 -5.036 1.00 0.00 H new ATOM 1291 N VAL A 112 27.329 24.714 -6.612 1.00 0.00 N ATOM 1292 CA VAL A 112 27.865 25.939 -7.199 1.00 0.00 C ATOM 1293 C VAL A 112 29.139 25.641 -7.979 1.00 0.00 C ATOM 1294 O VAL A 112 29.705 24.554 -7.870 1.00 0.00 O ATOM 1295 CB VAL A 112 28.161 26.966 -6.104 1.00 0.00 C ATOM 1296 CG1 VAL A 112 26.856 27.386 -5.425 1.00 0.00 C ATOM 1297 CG2 VAL A 112 29.083 26.338 -5.067 1.00 0.00 C ATOM 0 H VAL A 112 27.172 24.757 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 112 27.119 26.348 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 112 28.638 27.841 -6.546 1.00 0.00 H new ATOM 0 HG11 VAL A 112 27.070 28.117 -4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 112 26.187 27.828 -6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 112 26.379 26.512 -4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 112 29.298 27.065 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 112 28.598 25.466 -4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 112 30.014 26.034 -5.545 1.00 0.00 H new ATOM 1307 N LEU A 113 29.582 26.608 -8.774 1.00 0.00 N ATOM 1308 CA LEU A 113 30.787 26.432 -9.577 1.00 0.00 C ATOM 1309 C LEU A 113 32.040 26.686 -8.748 1.00 0.00 C ATOM 1310 O LEU A 113 33.143 26.320 -9.156 1.00 0.00 O ATOM 1311 CB LEU A 113 30.767 27.396 -10.767 1.00 0.00 C ATOM 1312 CG LEU A 113 29.714 26.945 -11.789 1.00 0.00 C ATOM 1313 CD1 LEU A 113 28.302 27.094 -11.200 1.00 0.00 C ATOM 1314 CD2 LEU A 113 29.838 27.810 -13.048 1.00 0.00 C ATOM 0 H LEU A 113 29.129 27.516 -8.880 1.00 0.00 H new ATOM 0 HA LEU A 113 30.806 25.402 -9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 113 30.544 28.406 -10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 113 31.750 27.429 -11.236 1.00 0.00 H new ATOM 0 HG LEU A 113 29.880 25.897 -12.038 1.00 0.00 H new ATOM 0 HD11 LEU A 113 27.565 26.771 -11.935 1.00 0.00 H new ATOM 0 HD12 LEU A 113 28.215 26.479 -10.304 1.00 0.00 H new ATOM 0 HD13 LEU A 113 28.124 28.138 -10.942 1.00 0.00 H new ATOM 0 HD21 LEU A 113 29.093 27.496 -13.780 1.00 0.00 H new ATOM 0 HD22 LEU A 113 29.674 28.856 -12.789 1.00 0.00 H new ATOM 0 HD23 LEU A 113 30.835 27.694 -13.472 1.00 0.00 H new ATOM 1326 N ASP A 114 31.874 27.318 -7.586 1.00 0.00 N ATOM 1327 CA ASP A 114 33.009 27.622 -6.709 1.00 0.00 C ATOM 1328 C ASP A 114 32.698 27.188 -5.279 1.00 0.00 C ATOM 1329 O ASP A 114 32.337 28.011 -4.437 1.00 0.00 O ATOM 1330 CB ASP A 114 33.288 29.126 -6.730 1.00 0.00 C ATOM 1331 CG ASP A 114 33.706 29.561 -8.131 1.00 0.00 C ATOM 1332 OD1 ASP A 114 32.841 29.642 -8.987 1.00 0.00 O1- ATOM 1333 OD2 ASP A 114 34.885 29.808 -8.327 1.00 0.00 O ATOM 0 H ASP A 114 30.970 27.629 -7.230 1.00 0.00 H new ATOM 0 HA ASP A 114 33.885 27.081 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 114 32.398 29.673 -6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 114 34.075 29.368 -6.016 1.00 0.00 H new ATOM 1338 N PRO A 115 32.821 25.919 -4.993 1.00 0.00 N ATOM 1339 CA PRO A 115 32.530 25.369 -3.634 1.00 0.00 C ATOM 1340 C PRO A 115 33.391 26.020 -2.547 1.00 0.00 C ATOM 1341 O PRO A 115 34.571 26.298 -2.760 1.00 0.00 O ATOM 1342 CB PRO A 115 32.844 23.865 -3.772 1.00 0.00 C ATOM 1343 CG PRO A 115 32.809 23.580 -5.242 1.00 0.00 C ATOM 1344 CD PRO A 115 33.245 24.869 -5.932 1.00 0.00 C ATOM 0 HA PRO A 115 31.503 25.564 -3.325 1.00 0.00 H new ATOM 0 HB2 PRO A 115 33.821 23.628 -3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 115 32.111 23.261 -3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 115 33.477 22.757 -5.496 1.00 0.00 H new ATOM 0 HG3 PRO A 115 31.808 23.287 -5.559 1.00 0.00 H new ATOM 0 HD2 PRO A 115 34.322 24.891 -6.099 1.00 0.00 H new ATOM 0 HD3 PRO A 115 32.769 24.984 -6.906 1.00 0.00 H new ATOM 1352 N ARG A 116 32.779 26.271 -1.387 1.00 0.00 N ATOM 1353 CA ARG A 116 33.486 26.906 -0.271 1.00 0.00 C ATOM 1354 C ARG A 116 33.301 26.102 1.022 1.00 0.00 C ATOM 1355 O ARG A 116 32.216 25.589 1.291 1.00 0.00 O ATOM 1356 CB ARG A 116 32.933 28.321 -0.076 1.00 0.00 C ATOM 1357 CG ARG A 116 32.900 29.050 -1.423 1.00 0.00 C ATOM 1358 CD ARG A 116 32.449 30.496 -1.218 1.00 0.00 C ATOM 1359 NE ARG A 116 32.351 31.180 -2.503 1.00 0.00 N ATOM 1360 CZ ARG A 116 31.890 32.423 -2.585 1.00 0.00 C ATOM 1361 NH1 ARG A 116 31.522 33.054 -1.504 1.00 0.00 N ATOM 1362 NH2 ARG A 116 31.806 33.012 -3.745 1.00 0.00 N1+ ATOM 0 H ARG A 116 31.803 26.046 -1.196 1.00 0.00 H new ATOM 0 HA ARG A 116 34.551 26.943 -0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 116 31.930 28.275 0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 116 33.554 28.871 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 116 33.888 29.029 -1.882 1.00 0.00 H new ATOM 0 HG3 ARG A 116 32.220 28.541 -2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 116 31.483 30.515 -0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 116 33.156 31.017 -0.573 1.00 0.00 H new ATOM 0 HE ARG A 116 32.641 30.696 -3.352 1.00 0.00 H new ATOM 0 HH11 ARG A 116 31.588 32.593 -0.597 1.00 0.00 H new ATOM 0 HH12 ARG A 116 31.168 34.009 -1.566 1.00 0.00 H new ATOM 0 HH21 ARG A 116 32.094 32.518 -4.590 1.00 0.00 H new ATOM 0 HH22 ARG A 116 31.452 33.967 -3.808 1.00 0.00 H new ATOM 1376 N CYS A 117 34.364 26.006 1.823 1.00 0.00 N ATOM 1377 CA CYS A 117 34.292 25.272 3.087 1.00 0.00 C ATOM 1378 C CYS A 117 33.342 25.977 4.057 1.00 0.00 C ATOM 1379 O CYS A 117 33.259 27.204 4.078 1.00 0.00 O ATOM 1380 CB CYS A 117 35.687 25.170 3.740 1.00 0.00 C ATOM 1381 SG CYS A 117 36.965 25.139 2.465 1.00 0.00 S ATOM 0 H CYS A 117 35.274 26.422 1.622 1.00 0.00 H new ATOM 0 HA CYS A 117 33.921 24.270 2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 117 35.848 26.017 4.407 1.00 0.00 H new ATOM 0 HB3 CYS A 117 35.747 24.268 4.349 1.00 0.00 H new ATOM 1386 N GLN A 118 32.633 25.189 4.857 1.00 0.00 N ATOM 1387 CA GLN A 118 31.704 25.753 5.826 1.00 0.00 C ATOM 1388 C GLN A 118 32.388 26.833 6.660 1.00 0.00 C ATOM 1389 O GLN A 118 31.734 27.554 7.415 1.00 0.00 O ATOM 1390 CB GLN A 118 31.157 24.655 6.740 1.00 0.00 C ATOM 1391 CG GLN A 118 30.205 23.764 5.940 1.00 0.00 C ATOM 1392 CD GLN A 118 29.618 22.679 6.837 1.00 0.00 C ATOM 1393 OE1 GLN A 118 29.926 22.620 8.028 1.00 0.00 O ATOM 1394 NE2 GLN A 118 28.773 21.820 6.337 1.00 0.00 N ATOM 0 H GLN A 118 32.683 24.170 4.854 1.00 0.00 H new ATOM 0 HA GLN A 118 30.875 26.205 5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 118 31.976 24.061 7.145 1.00 0.00 H new ATOM 0 HB3 GLN A 118 30.634 25.098 7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 118 29.403 24.367 5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 118 30.738 23.307 5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.519 21.870 5.350 1.00 0.00 H new ATOM 0 HE22 GLN A 118 28.367 21.099 6.933 1.00 0.00 H new ATOM 1403 N ILE A 119 33.708 26.937 6.531 1.00 0.00 N ATOM 1404 CA ILE A 119 34.468 27.933 7.285 1.00 0.00 C ATOM 1405 C ILE A 119 34.541 29.270 6.543 1.00 0.00 C ATOM 1406 O ILE A 119 34.278 30.323 7.123 1.00 0.00 O ATOM 1407 CB ILE A 119 35.886 27.415 7.540 1.00 0.00 C ATOM 1408 CG1 ILE A 119 35.815 26.104 8.328 1.00 0.00 C ATOM 1409 CG2 ILE A 119 36.675 28.448 8.347 1.00 0.00 C ATOM 1410 CD1 ILE A 119 37.198 25.450 8.360 1.00 0.00 C ATOM 0 H ILE A 119 34.271 26.349 5.917 1.00 0.00 H new ATOM 0 HA ILE A 119 33.953 28.099 8.231 1.00 0.00 H new ATOM 0 HB ILE A 119 36.384 27.244 6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 119 35.469 26.296 9.343 1.00 0.00 H new ATOM 0 HG13 ILE A 119 35.093 25.430 7.868 1.00 0.00 H new ATOM 0 HG21 ILE A 119 37.684 28.076 8.527 1.00 0.00 H new ATOM 0 HG22 ILE A 119 36.727 29.383 7.789 1.00 0.00 H new ATOM 0 HG23 ILE A 119 36.177 28.622 9.301 1.00 0.00 H new ATOM 0 HD11 ILE A 119 37.146 24.517 8.921 1.00 0.00 H new ATOM 0 HD12 ILE A 119 37.526 25.243 7.341 1.00 0.00 H new ATOM 0 HD13 ILE A 119 37.908 26.123 8.840 1.00 0.00 H new ATOM 1422 N CYS A 120 34.910 29.226 5.267 1.00 0.00 N ATOM 1423 CA CYS A 120 35.027 30.452 4.478 1.00 0.00 C ATOM 1424 C CYS A 120 33.667 31.144 4.326 1.00 0.00 C ATOM 1425 O CYS A 120 33.601 32.370 4.260 1.00 0.00 O ATOM 1426 CB CYS A 120 35.634 30.137 3.090 1.00 0.00 C ATOM 1427 SG CYS A 120 35.257 28.428 2.647 1.00 0.00 S ATOM 0 H CYS A 120 35.131 28.369 4.761 1.00 0.00 H new ATOM 0 HA CYS A 120 35.692 31.135 5.006 1.00 0.00 H new ATOM 0 HB2 CYS A 120 35.229 30.817 2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 120 36.713 30.290 3.109 1.00 0.00 H new ATOM 1432 N VAL A 121 32.591 30.361 4.285 1.00 0.00 N ATOM 1433 CA VAL A 121 31.253 30.936 4.154 1.00 0.00 C ATOM 1434 C VAL A 121 30.866 31.692 5.424 1.00 0.00 C ATOM 1435 O VAL A 121 30.266 32.765 5.361 1.00 0.00 O ATOM 1436 CB VAL A 121 30.220 29.840 3.875 1.00 0.00 C ATOM 1437 CG1 VAL A 121 30.678 28.983 2.693 1.00 0.00 C ATOM 1438 CG2 VAL A 121 30.067 28.955 5.112 1.00 0.00 C ATOM 0 H VAL A 121 32.616 29.343 4.340 1.00 0.00 H new ATOM 0 HA VAL A 121 31.267 31.633 3.316 1.00 0.00 H new ATOM 0 HB VAL A 121 29.263 30.304 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 121 29.939 28.205 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 121 30.784 29.611 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 121 31.637 28.522 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 121 29.332 28.175 4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 121 31.026 28.496 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 121 29.734 29.561 5.954 1.00 0.00 H new ATOM 1448 N HIS A 122 31.196 31.109 6.572 1.00 0.00 N ATOM 1449 CA HIS A 122 30.855 31.726 7.851 1.00 0.00 C ATOM 1450 C HIS A 122 31.238 33.203 7.841 1.00 0.00 C ATOM 1451 O HIS A 122 30.413 34.066 8.138 1.00 0.00 O ATOM 1452 CB HIS A 122 31.587 31.012 8.991 1.00 0.00 C ATOM 1453 CG HIS A 122 31.208 31.643 10.303 1.00 0.00 C ATOM 1454 ND1 HIS A 122 32.082 32.449 11.016 1.00 0.00 N ATOM 1455 CD2 HIS A 122 30.055 31.593 11.046 1.00 0.00 C ATOM 1456 CE1 HIS A 122 31.446 32.849 12.133 1.00 0.00 C ATOM 1457 NE2 HIS A 122 30.208 32.356 12.202 1.00 0.00 N ATOM 0 H HIS A 122 31.693 30.221 6.645 1.00 0.00 H new ATOM 0 HA HIS A 122 29.780 31.637 8.005 1.00 0.00 H new ATOM 0 HB2 HIS A 122 31.329 29.953 8.996 1.00 0.00 H new ATOM 0 HB3 HIS A 122 32.665 31.076 8.842 1.00 0.00 H new ATOM 0 HD2 HIS A 122 29.164 31.045 10.776 1.00 0.00 H new ATOM 0 HE1 HIS A 122 31.885 33.491 12.882 1.00 0.00 H new ATOM 0 HE2 HIS A 122 29.522 32.505 12.942 1.00 0.00 H new ATOM 1465 N SER A 123 32.491 33.491 7.495 1.00 0.00 N ATOM 1466 CA SER A 123 32.961 34.872 7.449 1.00 0.00 C ATOM 1467 C SER A 123 32.594 35.521 6.116 1.00 0.00 C ATOM 1468 O SER A 123 32.035 36.616 6.082 1.00 0.00 O ATOM 1469 CB SER A 123 34.479 34.911 7.636 1.00 0.00 C ATOM 1470 OG SER A 123 35.111 34.416 6.461 1.00 0.00 O ATOM 0 H SER A 123 33.192 32.794 7.245 1.00 0.00 H new ATOM 0 HA SER A 123 32.480 35.427 8.254 1.00 0.00 H new ATOM 0 HB2 SER A 123 34.806 35.931 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 123 34.766 34.309 8.498 1.00 0.00 H new ATOM 0 HG SER A 123 36.084 34.441 6.577 1.00 0.00 H new ATOM 1476 N GLN A 124 32.922 34.840 5.019 1.00 0.00 N ATOM 1477 CA GLN A 124 32.629 35.366 3.688 1.00 0.00 C ATOM 1478 C GLN A 124 31.172 35.100 3.320 1.00 0.00 C ATOM 1479 O GLN A 124 30.859 34.820 2.163 1.00 0.00 O ATOM 1480 CB GLN A 124 33.555 34.709 2.652 1.00 0.00 C ATOM 1481 CG GLN A 124 33.619 35.565 1.381 1.00 0.00 C ATOM 1482 CD GLN A 124 34.502 34.887 0.340 1.00 0.00 C ATOM 1483 OE1 GLN A 124 34.386 33.682 0.117 1.00 0.00 O ATOM 1484 NE2 GLN A 124 35.384 35.590 -0.317 1.00 0.00 N ATOM 0 H GLN A 124 33.386 33.932 5.025 1.00 0.00 H new ATOM 0 HA GLN A 124 32.799 36.443 3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 124 34.555 34.591 3.070 1.00 0.00 H new ATOM 0 HB3 GLN A 124 33.191 33.711 2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 124 32.616 35.711 0.980 1.00 0.00 H new ATOM 0 HG3 GLN A 124 34.014 36.553 1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 124 35.480 36.589 -0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 124 35.977 35.141 -1.015 1.00 0.00 H new ATOM 1493 N ARG A 125 30.286 35.190 4.318 1.00 0.00 N ATOM 1494 CA ARG A 125 28.850 34.965 4.108 1.00 0.00 C ATOM 1495 C ARG A 125 28.603 33.952 2.984 1.00 0.00 C ATOM 1496 O ARG A 125 28.804 32.751 3.164 1.00 0.00 O ATOM 1497 CB ARG A 125 28.160 36.298 3.776 1.00 0.00 C ATOM 1498 CG ARG A 125 29.068 37.139 2.873 1.00 0.00 C ATOM 1499 CD ARG A 125 28.332 38.411 2.453 1.00 0.00 C ATOM 1500 NE ARG A 125 27.189 38.072 1.611 1.00 0.00 N ATOM 1501 CZ ARG A 125 26.366 39.012 1.158 1.00 0.00 C ATOM 1502 NH1 ARG A 125 26.572 40.264 1.465 1.00 0.00 N ATOM 1503 NH2 ARG A 125 25.353 38.683 0.404 1.00 0.00 N1+ ATOM 0 H ARG A 125 30.538 35.417 5.280 1.00 0.00 H new ATOM 0 HA ARG A 125 28.431 34.555 5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 125 27.208 36.112 3.279 1.00 0.00 H new ATOM 0 HB3 ARG A 125 27.939 36.843 4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 125 29.987 37.395 3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 125 29.355 36.565 1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 125 27.995 38.954 3.336 1.00 0.00 H new ATOM 0 HD3 ARG A 125 29.010 39.071 1.912 1.00 0.00 H new ATOM 0 HE ARG A 125 27.019 37.097 1.366 1.00 0.00 H new ATOM 0 HH11 ARG A 125 27.365 40.521 2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 125 25.940 40.985 1.117 1.00 0.00 H new ATOM 0 HH21 ARG A 125 25.193 37.705 0.163 1.00 0.00 H new ATOM 0 HH22 ARG A 125 24.721 39.404 0.056 1.00 0.00 H new ATOM 1517 N ASN A 126 28.178 34.452 1.826 1.00 0.00 N ATOM 1518 CA ASN A 126 27.920 33.592 0.676 1.00 0.00 C ATOM 1519 C ASN A 126 27.941 34.406 -0.616 1.00 0.00 C ATOM 1520 O ASN A 126 27.580 33.857 -1.644 1.00 0.00 O ATOM 1521 CB ASN A 126 26.562 32.903 0.824 1.00 0.00 C ATOM 1522 CG ASN A 126 26.578 31.970 2.029 1.00 0.00 C ATOM 1523 OD1 ASN A 126 27.275 30.956 2.021 1.00 0.00 O ATOM 1524 ND2 ASN A 126 25.847 32.254 3.072 1.00 0.00 N ATOM 1525 OXT ASN A 126 28.317 35.564 -0.557 1.00 0.00 O ATOM 0 H ASN A 126 28.006 35.444 1.660 1.00 0.00 H new ATOM 0 HA ASN A 126 28.704 32.836 0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 126 25.777 33.650 0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 126 26.331 32.339 -0.080 1.00 0.00 H new ATOM 0 HD21 ASN A 126 25.853 31.635 3.883 1.00 0.00 H new ATOM 0 HD22 ASN A 126 25.270 33.095 3.077 1.00 0.00 H new TER 1532 ASN A 126 HETATM 1533 ZN ZN A 300 19.620 9.063 -13.759 1.00 0.00 ZN HETATM 1534 ZN ZN A 301 37.205 27.371 2.014 1.00 0.00 ZN