USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 772 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 8 GLN : amide:sc= 0.463 K(o=0.5,f=-2.3!) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.0348 USER MOD Set 2.1: A 41 SER OG : rot -71:sc= 1.38 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 1 USER MOD Set 3.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= -0.988 USER MOD Set 4.1: A 7 LYS NZ :NH3+ 165:sc= 1.22 (180deg=0) USER MOD Set 4.2: A 46 ASN : amide:sc= 0.683 K(o=1.9,f=-4.9) USER MOD Set 5.1: A 6 GLN : amide:sc= 0.571 K(o=0.84,f=-0.098) USER MOD Set 5.2: A 72 SER OG : rot 160:sc= 0.268 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.0412) USER MOD Single : A 5 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.48!) USER MOD Single : A 12 SER OG : rot -146:sc= 1.19 USER MOD Single : A 13 ASN : amide:sc= -1.48! K(o=-1.5!,f=-0.53) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc=-0.00192 (180deg=-0.094) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.1) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 42:sc= 0.215 USER MOD Single : A 36 MET CE :methyl 160:sc= -0.183 (180deg=-0.81) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0232) USER MOD Single : A 56 GLN : amide:sc= -0.115 K(o=-0.12,f=-0.72) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 59 GLN : amide:sc= 0.849 K(o=0.85,f=-5.7!) USER MOD Single : A 61 HIS : no HD1:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.669 K(o=0.67,f=-4.8!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -125:sc= 1.24 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.275 K(o=-0.27,f=-0.95) USER MOD Single : A 92 HIS : no HD1:sc= -0.049 X(o=-0.049,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.0572 X(o=-0.057,f=-0.21) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HE2:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.744 -18.906 -9.275 1.00 0.00 N ATOM 2 CA MET A 1 8.646 -19.376 -7.874 1.00 0.00 C ATOM 3 C MET A 1 7.208 -19.294 -7.370 1.00 0.00 C ATOM 4 O MET A 1 6.557 -20.318 -7.157 1.00 0.00 O ATOM 5 CB MET A 1 9.564 -18.553 -6.962 1.00 0.00 C ATOM 6 CG MET A 1 11.043 -18.772 -7.224 1.00 0.00 C ATOM 7 SD MET A 1 12.095 -17.821 -6.112 1.00 0.00 S ATOM 8 CE MET A 1 13.723 -18.304 -6.688 1.00 0.00 C ATOM 0 H1 MET A 1 9.704 -19.081 -9.634 1.00 0.00 H new ATOM 0 H2 MET A 1 8.056 -19.419 -9.862 1.00 0.00 H new ATOM 0 H3 MET A 1 8.541 -17.887 -9.314 1.00 0.00 H new ATOM 0 HA MET A 1 8.965 -20.418 -7.850 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.334 -17.495 -7.090 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.348 -18.803 -5.923 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.274 -19.832 -7.118 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.270 -18.498 -8.254 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.484 -17.796 -6.095 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.841 -19.382 -6.583 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.835 -18.027 -7.736 1.00 0.00 H new ATOM 20 N ALA A 2 6.706 -18.077 -7.200 1.00 0.00 N ATOM 21 CA ALA A 2 5.375 -17.872 -6.648 1.00 0.00 C ATOM 22 C ALA A 2 4.709 -16.647 -7.266 1.00 0.00 C ATOM 23 O ALA A 2 5.382 -15.672 -7.605 1.00 0.00 O ATOM 24 CB ALA A 2 5.453 -17.724 -5.134 1.00 0.00 C ATOM 0 H ALA A 2 7.202 -17.218 -7.437 1.00 0.00 H new ATOM 0 HA ALA A 2 4.767 -18.744 -6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.452 -17.571 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.884 -18.627 -4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.079 -16.868 -4.884 1.00 0.00 H new ATOM 30 N PRO A 3 3.378 -16.690 -7.434 1.00 0.00 N ATOM 31 CA PRO A 3 2.605 -15.568 -7.972 1.00 0.00 C ATOM 32 C PRO A 3 2.512 -14.404 -6.986 1.00 0.00 C ATOM 33 O PRO A 3 2.344 -13.252 -7.385 1.00 0.00 O ATOM 34 CB PRO A 3 1.210 -16.162 -8.229 1.00 0.00 C ATOM 35 CG PRO A 3 1.368 -17.640 -8.086 1.00 0.00 C ATOM 36 CD PRO A 3 2.519 -17.846 -7.146 1.00 0.00 C ATOM 0 HA PRO A 3 3.071 -15.155 -8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.482 -15.775 -7.516 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.851 -15.901 -9.224 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.458 -18.093 -7.693 1.00 0.00 H new ATOM 0 HG3 PRO A 3 1.565 -18.106 -9.051 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.195 -17.861 -6.105 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.032 -18.789 -7.334 1.00 0.00 H new ATOM 44 N LEU A 4 2.622 -14.712 -5.697 1.00 0.00 N ATOM 45 CA LEU A 4 2.579 -13.687 -4.661 1.00 0.00 C ATOM 46 C LEU A 4 3.973 -13.130 -4.432 1.00 0.00 C ATOM 47 O LEU A 4 4.826 -13.795 -3.843 1.00 0.00 O ATOM 48 CB LEU A 4 2.035 -14.254 -3.346 1.00 0.00 C ATOM 49 CG LEU A 4 1.712 -13.219 -2.268 1.00 0.00 C ATOM 50 CD1 LEU A 4 0.507 -12.387 -2.674 1.00 0.00 C ATOM 51 CD2 LEU A 4 1.467 -13.901 -0.932 1.00 0.00 C ATOM 0 H LEU A 4 2.741 -15.662 -5.346 1.00 0.00 H new ATOM 0 HA LEU A 4 1.913 -12.892 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.131 -14.823 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.765 -14.957 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 4 2.568 -12.553 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.291 -11.655 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.721 -11.869 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.356 -13.039 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.239 -13.149 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.628 -14.590 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.359 -14.453 -0.636 1.00 0.00 H new ATOM 63 N GLN A 5 4.208 -11.924 -4.909 1.00 0.00 N ATOM 64 CA GLN A 5 5.499 -11.290 -4.735 1.00 0.00 C ATOM 65 C GLN A 5 5.496 -10.435 -3.480 1.00 0.00 C ATOM 66 O GLN A 5 4.773 -9.444 -3.392 1.00 0.00 O ATOM 67 CB GLN A 5 5.857 -10.453 -5.963 1.00 0.00 C ATOM 68 CG GLN A 5 6.126 -11.294 -7.201 1.00 0.00 C ATOM 69 CD GLN A 5 6.451 -10.460 -8.425 1.00 0.00 C ATOM 70 OE1 GLN A 5 5.953 -9.348 -8.591 1.00 0.00 O ATOM 71 NE2 GLN A 5 7.294 -10.995 -9.291 1.00 0.00 N ATOM 0 H GLN A 5 3.524 -11.365 -5.419 1.00 0.00 H new ATOM 0 HA GLN A 5 6.258 -12.065 -4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.043 -9.759 -6.172 1.00 0.00 H new ATOM 0 HB3 GLN A 5 6.739 -9.852 -5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.955 -11.972 -7.000 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.253 -11.912 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.685 -11.921 -9.117 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.553 -10.482 -10.134 1.00 0.00 H new ATOM 80 N GLN A 6 6.283 -10.845 -2.499 1.00 0.00 N ATOM 81 CA GLN A 6 6.391 -10.112 -1.249 1.00 0.00 C ATOM 82 C GLN A 6 7.689 -9.325 -1.203 1.00 0.00 C ATOM 83 O GLN A 6 8.777 -9.904 -1.192 1.00 0.00 O ATOM 84 CB GLN A 6 6.325 -11.060 -0.051 1.00 0.00 C ATOM 85 CG GLN A 6 4.982 -11.743 0.123 1.00 0.00 C ATOM 86 CD GLN A 6 4.955 -12.644 1.339 1.00 0.00 C ATOM 87 OE1 GLN A 6 5.974 -13.217 1.725 1.00 0.00 O ATOM 88 NE2 GLN A 6 3.796 -12.760 1.965 1.00 0.00 N ATOM 0 H GLN A 6 6.859 -11.686 -2.545 1.00 0.00 H new ATOM 0 HA GLN A 6 5.550 -9.421 -1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.097 -11.822 -0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.556 -10.500 0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.201 -10.988 0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.756 -12.330 -0.767 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.975 -12.268 1.613 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.723 -13.341 2.800 1.00 0.00 H new ATOM 97 N LYS A 7 7.572 -8.009 -1.189 1.00 0.00 N ATOM 98 CA LYS A 7 8.734 -7.137 -1.088 1.00 0.00 C ATOM 99 C LYS A 7 8.484 -6.060 -0.047 1.00 0.00 C ATOM 100 O LYS A 7 7.360 -5.902 0.433 1.00 0.00 O ATOM 101 CB LYS A 7 9.050 -6.478 -2.435 1.00 0.00 C ATOM 102 CG LYS A 7 9.404 -7.459 -3.538 1.00 0.00 C ATOM 103 CD LYS A 7 9.863 -6.737 -4.792 1.00 0.00 C ATOM 104 CE LYS A 7 10.164 -7.721 -5.913 1.00 0.00 C ATOM 105 NZ LYS A 7 10.672 -7.050 -7.136 1.00 0.00 N ATOM 0 H LYS A 7 6.681 -7.517 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 7 9.587 -7.747 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.188 -5.889 -2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.879 -5.783 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.191 -8.129 -3.193 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.537 -8.078 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.092 -6.038 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.754 -6.149 -4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.901 -8.446 -5.568 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.259 -8.277 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.097 -7.757 -7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.885 -6.577 -7.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.390 -6.345 -6.873 1.00 0.00 H new ATOM 119 N GLN A 8 9.532 -5.335 0.307 1.00 0.00 N ATOM 120 CA GLN A 8 9.398 -4.192 1.192 1.00 0.00 C ATOM 121 C GLN A 8 9.066 -2.964 0.352 1.00 0.00 C ATOM 122 O GLN A 8 9.764 -2.663 -0.615 1.00 0.00 O ATOM 123 CB GLN A 8 10.694 -3.959 1.978 1.00 0.00 C ATOM 124 CG GLN A 8 11.184 -5.174 2.757 1.00 0.00 C ATOM 125 CD GLN A 8 10.282 -5.549 3.921 1.00 0.00 C ATOM 126 OE1 GLN A 8 9.628 -4.695 4.525 1.00 0.00 O ATOM 127 NE2 GLN A 8 10.255 -6.829 4.255 1.00 0.00 N ATOM 0 H GLN A 8 10.485 -5.519 -0.006 1.00 0.00 H new ATOM 0 HA GLN A 8 8.600 -4.381 1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.475 -3.648 1.284 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.540 -3.134 2.674 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.262 -6.024 2.079 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.187 -4.974 3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.810 -7.505 3.730 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.679 -7.140 5.037 1.00 0.00 H new ATOM 136 N VAL A 9 7.989 -2.279 0.692 1.00 0.00 N ATOM 137 CA VAL A 9 7.588 -1.092 -0.047 1.00 0.00 C ATOM 138 C VAL A 9 7.464 0.110 0.874 1.00 0.00 C ATOM 139 O VAL A 9 7.304 -0.038 2.088 1.00 0.00 O ATOM 140 CB VAL A 9 6.249 -1.294 -0.794 1.00 0.00 C ATOM 141 CG1 VAL A 9 6.394 -2.330 -1.898 1.00 0.00 C ATOM 142 CG2 VAL A 9 5.146 -1.701 0.173 1.00 0.00 C ATOM 0 H VAL A 9 7.378 -2.522 1.472 1.00 0.00 H new ATOM 0 HA VAL A 9 8.371 -0.911 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 9 5.974 -0.343 -1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.439 -2.454 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.147 -1.997 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.700 -3.282 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.214 -1.837 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.419 -2.635 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.015 -0.922 0.924 1.00 0.00 H new ATOM 152 N VAL A 10 7.555 1.295 0.292 1.00 0.00 N ATOM 153 CA VAL A 10 7.418 2.531 1.044 1.00 0.00 C ATOM 154 C VAL A 10 6.040 3.143 0.815 1.00 0.00 C ATOM 155 O VAL A 10 5.674 3.434 -0.322 1.00 0.00 O ATOM 156 CB VAL A 10 8.482 3.570 0.626 1.00 0.00 C ATOM 157 CG1 VAL A 10 8.424 4.790 1.534 1.00 0.00 C ATOM 158 CG2 VAL A 10 9.877 2.963 0.630 1.00 0.00 C ATOM 0 H VAL A 10 7.724 1.427 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 10 7.553 2.280 2.096 1.00 0.00 H new ATOM 0 HB VAL A 10 8.259 3.886 -0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.181 5.511 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.437 5.248 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.612 4.486 2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.604 3.719 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.116 2.606 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.913 2.129 -0.071 1.00 0.00 H new ATOM 168 N VAL A 11 5.272 3.319 1.880 1.00 0.00 N ATOM 169 CA VAL A 11 4.022 4.061 1.788 1.00 0.00 C ATOM 170 C VAL A 11 4.339 5.523 1.510 1.00 0.00 C ATOM 171 O VAL A 11 4.783 6.251 2.395 1.00 0.00 O ATOM 172 CB VAL A 11 3.184 3.943 3.077 1.00 0.00 C ATOM 173 CG1 VAL A 11 1.856 4.669 2.924 1.00 0.00 C ATOM 174 CG2 VAL A 11 2.964 2.482 3.433 1.00 0.00 C ATOM 0 H VAL A 11 5.489 2.962 2.811 1.00 0.00 H new ATOM 0 HA VAL A 11 3.430 3.637 0.977 1.00 0.00 H new ATOM 0 HB VAL A 11 3.734 4.415 3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.281 4.573 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.039 5.724 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.295 4.231 2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.371 2.415 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.436 1.985 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.927 1.997 3.590 1.00 0.00 H new ATOM 184 N SER A 12 4.135 5.939 0.273 1.00 0.00 N ATOM 185 CA SER A 12 4.612 7.234 -0.175 1.00 0.00 C ATOM 186 C SER A 12 3.522 8.303 -0.114 1.00 0.00 C ATOM 187 O SER A 12 3.683 9.322 0.551 1.00 0.00 O ATOM 188 CB SER A 12 5.161 7.107 -1.598 1.00 0.00 C ATOM 189 OG SER A 12 5.696 8.331 -2.060 1.00 0.00 O ATOM 0 H SER A 12 3.643 5.399 -0.438 1.00 0.00 H new ATOM 0 HA SER A 12 5.406 7.554 0.500 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.934 6.339 -1.623 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.365 6.781 -2.268 1.00 0.00 H new ATOM 0 HG SER A 12 5.538 8.414 -3.024 1.00 0.00 H new ATOM 195 N ASN A 13 2.418 8.079 -0.809 1.00 0.00 N ATOM 196 CA ASN A 13 1.366 9.090 -0.903 1.00 0.00 C ATOM 197 C ASN A 13 0.012 8.526 -0.522 1.00 0.00 C ATOM 198 O ASN A 13 -0.275 7.354 -0.764 1.00 0.00 O ATOM 199 CB ASN A 13 1.286 9.662 -2.325 1.00 0.00 C ATOM 200 CG ASN A 13 2.127 10.911 -2.517 1.00 0.00 C ATOM 201 OD1 ASN A 13 1.814 11.765 -3.349 1.00 0.00 O ATOM 202 ND2 ASN A 13 3.191 11.037 -1.747 1.00 0.00 N ATOM 0 H ASN A 13 2.224 7.214 -1.314 1.00 0.00 H new ATOM 0 HA ASN A 13 1.626 9.883 -0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.611 8.901 -3.034 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.247 9.893 -2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.785 11.862 -1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.419 10.310 -1.069 1.00 0.00 H new ATOM 209 N LYS A 14 -0.813 9.364 0.085 1.00 0.00 N ATOM 210 CA LYS A 14 -2.205 9.028 0.315 1.00 0.00 C ATOM 211 C LYS A 14 -3.075 9.947 -0.528 1.00 0.00 C ATOM 212 O LYS A 14 -2.948 11.172 -0.473 1.00 0.00 O ATOM 213 CB LYS A 14 -2.569 9.116 1.802 1.00 0.00 C ATOM 214 CG LYS A 14 -2.378 10.489 2.428 1.00 0.00 C ATOM 215 CD LYS A 14 -2.738 10.461 3.901 1.00 0.00 C ATOM 216 CE LYS A 14 -2.623 11.830 4.546 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.825 11.758 6.017 1.00 0.00 N ATOM 0 H LYS A 14 -0.539 10.285 0.428 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.379 7.994 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.611 8.819 1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.965 8.395 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.343 10.808 2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.999 11.220 1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.757 10.091 4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.083 9.761 4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.641 12.252 4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.361 12.502 4.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.740 12.710 6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.772 11.378 6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.105 11.136 6.436 1.00 0.00 H new ATOM 231 N ARG A 15 -3.927 9.354 -1.336 1.00 0.00 N ATOM 232 CA ARG A 15 -4.681 10.095 -2.330 1.00 0.00 C ATOM 233 C ARG A 15 -6.119 9.599 -2.395 1.00 0.00 C ATOM 234 O ARG A 15 -6.430 8.530 -1.880 1.00 0.00 O ATOM 235 CB ARG A 15 -4.006 9.934 -3.698 1.00 0.00 C ATOM 236 CG ARG A 15 -2.670 10.655 -3.819 1.00 0.00 C ATOM 237 CD ARG A 15 -1.731 9.944 -4.781 1.00 0.00 C ATOM 238 NE ARG A 15 -0.708 10.837 -5.319 1.00 0.00 N ATOM 239 CZ ARG A 15 0.298 10.434 -6.099 1.00 0.00 C ATOM 240 NH1 ARG A 15 0.469 9.142 -6.352 1.00 0.00 N ATOM 241 NH2 ARG A 15 1.145 11.319 -6.606 1.00 0.00 N ATOM 0 H ARG A 15 -4.117 8.352 -1.325 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.698 11.148 -2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.853 8.873 -3.893 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.679 10.307 -4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.837 11.676 -4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.202 10.722 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.250 9.112 -4.267 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.309 9.520 -5.602 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.766 11.828 -5.085 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.169 8.455 -5.950 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.238 8.837 -6.948 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.029 12.311 -6.401 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.912 11.007 -7.201 1.00 0.00 H new ATOM 255 N GLU A 16 -6.988 10.393 -3.002 1.00 0.00 N ATOM 256 CA GLU A 16 -8.353 9.971 -3.288 1.00 0.00 C ATOM 257 C GLU A 16 -8.838 10.599 -4.585 1.00 0.00 C ATOM 258 O GLU A 16 -9.040 11.812 -4.661 1.00 0.00 O ATOM 259 CB GLU A 16 -9.321 10.332 -2.155 1.00 0.00 C ATOM 260 CG GLU A 16 -9.350 9.320 -1.023 1.00 0.00 C ATOM 261 CD GLU A 16 -10.678 9.311 -0.290 1.00 0.00 C ATOM 262 OE1 GLU A 16 -11.638 8.681 -0.804 1.00 0.00 O ATOM 263 OE2 GLU A 16 -10.771 9.931 0.785 1.00 0.00 O ATOM 0 H GLU A 16 -6.770 11.341 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.337 8.885 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.045 11.306 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.326 10.431 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.152 8.326 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.550 9.545 -0.318 1.00 0.00 H new ATOM 270 N LYS A 17 -8.994 9.777 -5.610 1.00 0.00 N ATOM 271 CA LYS A 17 -9.503 10.243 -6.891 1.00 0.00 C ATOM 272 C LYS A 17 -11.005 9.995 -6.999 1.00 0.00 C ATOM 273 O LYS A 17 -11.454 8.845 -7.026 1.00 0.00 O ATOM 274 CB LYS A 17 -8.782 9.547 -8.049 1.00 0.00 C ATOM 275 CG LYS A 17 -7.301 9.881 -8.146 1.00 0.00 C ATOM 276 CD LYS A 17 -7.079 11.379 -8.278 1.00 0.00 C ATOM 277 CE LYS A 17 -5.626 11.702 -8.589 1.00 0.00 C ATOM 278 NZ LYS A 17 -5.252 11.315 -9.978 1.00 0.00 N ATOM 0 H LYS A 17 -8.775 8.781 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.316 11.315 -6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.894 8.469 -7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.268 9.823 -8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.784 9.511 -7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.866 9.370 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.718 11.774 -9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.373 11.874 -7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.455 12.770 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.980 11.182 -7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.337 11.744 -10.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.177 10.280 -10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.980 11.651 -10.640 1.00 0.00 H new ATOM 292 N PRO A 18 -11.807 11.067 -7.029 1.00 0.00 N ATOM 293 CA PRO A 18 -13.250 10.975 -7.227 1.00 0.00 C ATOM 294 C PRO A 18 -13.593 10.704 -8.689 1.00 0.00 C ATOM 295 O PRO A 18 -13.474 11.589 -9.540 1.00 0.00 O ATOM 296 CB PRO A 18 -13.776 12.354 -6.796 1.00 0.00 C ATOM 297 CG PRO A 18 -12.596 13.087 -6.237 1.00 0.00 C ATOM 298 CD PRO A 18 -11.381 12.458 -6.855 1.00 0.00 C ATOM 0 HA PRO A 18 -13.692 10.156 -6.659 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.204 12.891 -7.643 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.564 12.256 -6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.649 14.149 -6.476 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.566 13.006 -5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -11.119 12.925 -7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.507 12.538 -6.208 1.00 0.00 H new ATOM 306 N VAL A 19 -13.989 9.472 -8.977 1.00 0.00 N ATOM 307 CA VAL A 19 -14.334 9.074 -10.334 1.00 0.00 C ATOM 308 C VAL A 19 -15.679 9.673 -10.736 1.00 0.00 C ATOM 309 O VAL A 19 -16.599 9.745 -9.922 1.00 0.00 O ATOM 310 CB VAL A 19 -14.387 7.532 -10.466 1.00 0.00 C ATOM 311 CG1 VAL A 19 -14.629 7.109 -11.908 1.00 0.00 C ATOM 312 CG2 VAL A 19 -13.105 6.907 -9.934 1.00 0.00 C ATOM 0 H VAL A 19 -14.079 8.728 -8.285 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.559 9.451 -11.001 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.224 7.173 -9.868 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -14.661 6.021 -11.968 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -15.578 7.519 -12.253 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.822 7.483 -12.537 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.160 5.823 -10.035 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.254 7.282 -10.503 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -12.982 7.168 -8.883 1.00 0.00 H new ATOM 322 N ASN A 20 -15.778 10.117 -11.986 1.00 0.00 N ATOM 323 CA ASN A 20 -17.012 10.709 -12.497 1.00 0.00 C ATOM 324 C ASN A 20 -18.116 9.668 -12.596 1.00 0.00 C ATOM 325 O ASN A 20 -19.300 9.994 -12.501 1.00 0.00 O ATOM 326 CB ASN A 20 -16.780 11.366 -13.863 1.00 0.00 C ATOM 327 CG ASN A 20 -16.066 12.702 -13.756 1.00 0.00 C ATOM 328 OD1 ASN A 20 -16.704 13.749 -13.630 1.00 0.00 O ATOM 329 ND2 ASN A 20 -14.741 12.677 -13.802 1.00 0.00 N ATOM 0 H ASN A 20 -15.018 10.078 -12.665 1.00 0.00 H new ATOM 0 HA ASN A 20 -17.326 11.478 -11.792 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -16.194 10.694 -14.490 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -17.739 11.510 -14.360 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -14.212 13.546 -13.732 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.251 11.789 -13.907 1.00 0.00 H new ATOM 336 N ASP A 21 -17.733 8.411 -12.787 1.00 0.00 N ATOM 337 CA ASP A 21 -18.700 7.324 -12.794 1.00 0.00 C ATOM 338 C ASP A 21 -19.155 7.032 -11.372 1.00 0.00 C ATOM 339 O ASP A 21 -18.383 6.544 -10.545 1.00 0.00 O ATOM 340 CB ASP A 21 -18.116 6.061 -13.425 1.00 0.00 C ATOM 341 CG ASP A 21 -19.126 4.932 -13.471 1.00 0.00 C ATOM 342 OD1 ASP A 21 -20.094 5.029 -14.257 1.00 0.00 O ATOM 343 OD2 ASP A 21 -18.964 3.947 -12.717 1.00 0.00 O ATOM 0 H ASP A 21 -16.766 8.122 -12.938 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.554 7.634 -13.396 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -17.776 6.285 -14.436 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -17.242 5.743 -12.857 1.00 0.00 H new ATOM 348 N ARG A 22 -20.406 7.347 -11.096 1.00 0.00 N ATOM 349 CA ARG A 22 -20.945 7.237 -9.753 1.00 0.00 C ATOM 350 C ARG A 22 -22.030 6.172 -9.676 1.00 0.00 C ATOM 351 O ARG A 22 -22.466 5.637 -10.696 1.00 0.00 O ATOM 352 CB ARG A 22 -21.527 8.582 -9.320 1.00 0.00 C ATOM 353 CG ARG A 22 -20.485 9.650 -9.032 1.00 0.00 C ATOM 354 CD ARG A 22 -21.133 11.012 -8.818 1.00 0.00 C ATOM 355 NE ARG A 22 -22.357 10.926 -8.014 1.00 0.00 N ATOM 356 CZ ARG A 22 -22.389 10.954 -6.682 1.00 0.00 C ATOM 357 NH1 ARG A 22 -21.261 11.045 -5.983 1.00 0.00 N ATOM 358 NH2 ARG A 22 -23.557 10.898 -6.050 1.00 0.00 N ATOM 0 H ARG A 22 -21.073 7.684 -11.790 1.00 0.00 H new ATOM 0 HA ARG A 22 -20.132 6.948 -9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -22.195 8.944 -10.101 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -22.133 8.432 -8.427 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.913 9.374 -8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -19.780 9.707 -9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -20.423 11.676 -8.325 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -21.367 11.457 -9.785 1.00 0.00 H new ATOM 0 HE ARG A 22 -23.245 10.839 -8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -20.364 11.094 -6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -21.293 11.066 -4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -24.423 10.834 -6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -23.587 10.919 -5.031 1.00 0.00 H new ATOM 372 N ARG A 23 -22.445 5.863 -8.454 1.00 0.00 N ATOM 373 CA ARG A 23 -23.612 5.023 -8.224 1.00 0.00 C ATOM 374 C ARG A 23 -24.859 5.783 -8.643 1.00 0.00 C ATOM 375 O ARG A 23 -25.502 5.457 -9.640 1.00 0.00 O ATOM 376 CB ARG A 23 -23.704 4.636 -6.747 1.00 0.00 C ATOM 377 CG ARG A 23 -22.652 3.637 -6.297 1.00 0.00 C ATOM 378 CD ARG A 23 -22.584 3.542 -4.780 1.00 0.00 C ATOM 379 NE ARG A 23 -23.895 3.309 -4.168 1.00 0.00 N ATOM 380 CZ ARG A 23 -24.111 2.441 -3.178 1.00 0.00 C ATOM 381 NH1 ARG A 23 -23.119 1.680 -2.725 1.00 0.00 N ATOM 382 NH2 ARG A 23 -25.318 2.335 -2.638 1.00 0.00 N ATOM 0 H ARG A 23 -21.986 6.185 -7.602 1.00 0.00 H new ATOM 0 HA ARG A 23 -23.524 4.110 -8.813 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -23.615 5.538 -6.141 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -24.692 4.218 -6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -22.879 2.656 -6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -21.678 3.932 -6.688 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -21.909 2.733 -4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -22.160 4.464 -4.381 1.00 0.00 H new ATOM 0 HE ARG A 23 -24.690 3.842 -4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -22.188 1.758 -3.135 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -23.289 1.018 -1.968 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -26.082 2.918 -2.980 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -25.482 1.671 -1.881 1.00 0.00 H new ATOM 396 N SER A 24 -25.180 6.809 -7.877 1.00 0.00 N ATOM 397 CA SER A 24 -26.228 7.738 -8.244 1.00 0.00 C ATOM 398 C SER A 24 -25.651 8.804 -9.171 1.00 0.00 C ATOM 399 O SER A 24 -24.700 9.500 -8.806 1.00 0.00 O ATOM 400 CB SER A 24 -26.822 8.387 -6.992 1.00 0.00 C ATOM 401 OG SER A 24 -27.280 7.405 -6.074 1.00 0.00 O ATOM 0 H SER A 24 -24.724 7.020 -6.989 1.00 0.00 H new ATOM 0 HA SER A 24 -27.024 7.202 -8.761 1.00 0.00 H new ATOM 0 HB2 SER A 24 -26.071 9.015 -6.513 1.00 0.00 H new ATOM 0 HB3 SER A 24 -27.649 9.039 -7.274 1.00 0.00 H new ATOM 0 HG SER A 24 -27.653 7.846 -5.282 1.00 0.00 H new ATOM 407 N ARG A 25 -26.215 8.913 -10.369 1.00 0.00 N ATOM 408 CA ARG A 25 -25.738 9.870 -11.365 1.00 0.00 C ATOM 409 C ARG A 25 -25.842 11.289 -10.824 1.00 0.00 C ATOM 410 O ARG A 25 -24.982 12.135 -11.079 1.00 0.00 O ATOM 411 CB ARG A 25 -26.554 9.755 -12.653 1.00 0.00 C ATOM 412 CG ARG A 25 -26.655 8.340 -13.194 1.00 0.00 C ATOM 413 CD ARG A 25 -27.479 8.296 -14.469 1.00 0.00 C ATOM 414 NE ARG A 25 -27.777 6.929 -14.887 1.00 0.00 N ATOM 415 CZ ARG A 25 -27.495 6.442 -16.095 1.00 0.00 C ATOM 416 NH1 ARG A 25 -26.850 7.193 -16.981 1.00 0.00 N ATOM 417 NH2 ARG A 25 -27.844 5.201 -16.409 1.00 0.00 N ATOM 0 H ARG A 25 -27.007 8.348 -10.676 1.00 0.00 H new ATOM 0 HA ARG A 25 -24.695 9.643 -11.584 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -27.559 10.136 -12.470 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -26.105 10.393 -13.414 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -25.656 7.951 -13.390 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -27.108 7.692 -12.443 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -28.412 8.839 -14.315 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -26.940 8.808 -15.266 1.00 0.00 H new ATOM 0 HE ARG A 25 -28.228 6.310 -14.214 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -26.570 8.143 -16.737 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -26.634 6.820 -17.905 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -28.328 4.619 -15.726 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -27.628 4.829 -17.334 1.00 0.00 H new ATOM 431 N GLN A 26 -26.903 11.534 -10.069 1.00 0.00 N ATOM 432 CA GLN A 26 -27.132 12.824 -9.449 1.00 0.00 C ATOM 433 C GLN A 26 -26.176 13.027 -8.278 1.00 0.00 C ATOM 434 O GLN A 26 -26.022 12.148 -7.425 1.00 0.00 O ATOM 435 CB GLN A 26 -28.587 12.908 -8.987 1.00 0.00 C ATOM 436 CG GLN A 26 -28.954 14.188 -8.254 1.00 0.00 C ATOM 437 CD GLN A 26 -30.444 14.278 -7.988 1.00 0.00 C ATOM 438 OE1 GLN A 26 -31.253 13.780 -8.774 1.00 0.00 O ATOM 439 NE2 GLN A 26 -30.818 14.891 -6.877 1.00 0.00 N ATOM 0 H GLN A 26 -27.627 10.843 -9.871 1.00 0.00 H new ATOM 0 HA GLN A 26 -26.944 13.616 -10.174 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -29.235 12.806 -9.857 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -28.795 12.060 -8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -28.413 14.233 -7.309 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -28.638 15.048 -8.844 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -30.116 15.290 -6.253 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -31.808 14.965 -6.644 1.00 0.00 H new ATOM 448 N GLN A 27 -25.516 14.175 -8.253 1.00 0.00 N ATOM 449 CA GLN A 27 -24.590 14.499 -7.183 1.00 0.00 C ATOM 450 C GLN A 27 -24.984 15.806 -6.512 1.00 0.00 C ATOM 451 O GLN A 27 -25.056 16.850 -7.161 1.00 0.00 O ATOM 452 CB GLN A 27 -23.160 14.608 -7.712 1.00 0.00 C ATOM 453 CG GLN A 27 -22.147 14.948 -6.631 1.00 0.00 C ATOM 454 CD GLN A 27 -20.771 15.254 -7.184 1.00 0.00 C ATOM 455 OE1 GLN A 27 -20.368 14.725 -8.221 1.00 0.00 O ATOM 456 NE2 GLN A 27 -20.041 16.115 -6.492 1.00 0.00 N ATOM 0 H GLN A 27 -25.606 14.899 -8.965 1.00 0.00 H new ATOM 0 HA GLN A 27 -24.634 13.693 -6.451 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -22.880 13.664 -8.180 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -23.124 15.372 -8.488 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -22.504 15.808 -6.064 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.075 14.114 -5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -20.414 16.530 -5.638 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.105 16.364 -6.813 1.00 0.00 H new ATOM 465 N GLU A 28 -25.252 15.733 -5.219 1.00 0.00 N ATOM 466 CA GLU A 28 -25.530 16.914 -4.419 1.00 0.00 C ATOM 467 C GLU A 28 -24.574 16.952 -3.232 1.00 0.00 C ATOM 468 O GLU A 28 -23.632 16.156 -3.171 1.00 0.00 O ATOM 469 CB GLU A 28 -26.984 16.913 -3.946 1.00 0.00 C ATOM 470 CG GLU A 28 -27.989 16.932 -5.085 1.00 0.00 C ATOM 471 CD GLU A 28 -29.417 17.008 -4.597 1.00 0.00 C ATOM 472 OE1 GLU A 28 -29.967 15.966 -4.195 1.00 0.00 O ATOM 473 OE2 GLU A 28 -29.999 18.110 -4.620 1.00 0.00 O ATOM 0 H GLU A 28 -25.283 14.858 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 28 -25.380 17.806 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -27.158 16.029 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -27.152 17.781 -3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -27.784 17.785 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -27.863 16.035 -5.691 1.00 0.00 H new ATOM 480 N VAL A 29 -24.811 17.851 -2.287 1.00 0.00 N ATOM 481 CA VAL A 29 -23.911 18.010 -1.152 1.00 0.00 C ATOM 482 C VAL A 29 -24.272 17.016 -0.051 1.00 0.00 C ATOM 483 O VAL A 29 -24.638 17.391 1.061 1.00 0.00 O ATOM 484 CB VAL A 29 -23.943 19.447 -0.589 1.00 0.00 C ATOM 485 CG1 VAL A 29 -22.797 19.673 0.391 1.00 0.00 C ATOM 486 CG2 VAL A 29 -23.894 20.467 -1.716 1.00 0.00 C ATOM 0 H VAL A 29 -25.615 18.479 -2.283 1.00 0.00 H new ATOM 0 HA VAL A 29 -22.900 17.813 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 29 -24.881 19.578 -0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -22.841 20.693 0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -22.883 18.970 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -21.846 19.518 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -23.918 21.473 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -22.976 20.333 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -24.753 20.327 -2.371 1.00 0.00 H new ATOM 496 N SER A 30 -24.192 15.741 -0.380 1.00 0.00 N ATOM 497 CA SER A 30 -24.504 14.692 0.570 1.00 0.00 C ATOM 498 C SER A 30 -23.375 13.671 0.623 1.00 0.00 C ATOM 499 O SER A 30 -23.147 12.935 -0.340 1.00 0.00 O ATOM 500 CB SER A 30 -25.824 14.009 0.195 1.00 0.00 C ATOM 501 OG SER A 30 -26.185 13.032 1.158 1.00 0.00 O ATOM 0 H SER A 30 -23.912 15.406 -1.302 1.00 0.00 H new ATOM 0 HA SER A 30 -24.613 15.140 1.558 1.00 0.00 H new ATOM 0 HB2 SER A 30 -26.614 14.756 0.116 1.00 0.00 H new ATOM 0 HB3 SER A 30 -25.729 13.541 -0.785 1.00 0.00 H new ATOM 0 HG SER A 30 -27.031 12.612 0.897 1.00 0.00 H new ATOM 507 N PRO A 31 -22.643 13.628 1.748 1.00 0.00 N ATOM 508 CA PRO A 31 -21.566 12.656 1.961 1.00 0.00 C ATOM 509 C PRO A 31 -22.092 11.223 2.000 1.00 0.00 C ATOM 510 O PRO A 31 -21.345 10.267 1.797 1.00 0.00 O ATOM 511 CB PRO A 31 -20.975 13.052 3.318 1.00 0.00 C ATOM 512 CG PRO A 31 -22.041 13.851 3.989 1.00 0.00 C ATOM 513 CD PRO A 31 -22.799 14.540 2.894 1.00 0.00 C ATOM 0 HA PRO A 31 -20.835 12.674 1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -20.713 12.172 3.906 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -20.063 13.636 3.195 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -22.699 13.208 4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -21.608 14.576 4.679 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -23.848 14.680 3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -22.389 15.527 2.681 1.00 0.00 H new ATOM 521 N ALA A 32 -23.390 11.086 2.247 1.00 0.00 N ATOM 522 CA ALA A 32 -24.037 9.783 2.249 1.00 0.00 C ATOM 523 C ALA A 32 -24.241 9.292 0.822 1.00 0.00 C ATOM 524 O ALA A 32 -24.399 8.097 0.577 1.00 0.00 O ATOM 525 CB ALA A 32 -25.368 9.854 2.983 1.00 0.00 C ATOM 0 H ALA A 32 -24.015 11.866 2.449 1.00 0.00 H new ATOM 0 HA ALA A 32 -23.393 9.075 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -25.840 8.872 2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -25.199 10.168 4.013 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -26.019 10.573 2.486 1.00 0.00 H new ATOM 531 N GLY A 33 -24.215 10.229 -0.120 1.00 0.00 N ATOM 532 CA GLY A 33 -24.406 9.891 -1.515 1.00 0.00 C ATOM 533 C GLY A 33 -23.089 9.689 -2.235 1.00 0.00 C ATOM 534 O GLY A 33 -22.962 9.996 -3.424 1.00 0.00 O ATOM 0 H GLY A 33 -24.064 11.221 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -25.003 8.982 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.970 10.684 -2.006 1.00 0.00 H new ATOM 538 N THR A 34 -22.103 9.186 -1.506 1.00 0.00 N ATOM 539 CA THR A 34 -20.797 8.901 -2.069 1.00 0.00 C ATOM 540 C THR A 34 -20.022 7.978 -1.130 1.00 0.00 C ATOM 541 O THR A 34 -20.379 7.836 0.042 1.00 0.00 O ATOM 542 CB THR A 34 -19.994 10.200 -2.328 1.00 0.00 C ATOM 543 OG1 THR A 34 -18.823 9.915 -3.103 1.00 0.00 O ATOM 544 CG2 THR A 34 -19.588 10.873 -1.023 1.00 0.00 C ATOM 0 H THR A 34 -22.188 8.966 -0.514 1.00 0.00 H new ATOM 0 HA THR A 34 -20.941 8.406 -3.029 1.00 0.00 H new ATOM 0 HB THR A 34 -20.641 10.882 -2.881 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.325 10.744 -3.261 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.026 11.781 -1.241 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.481 11.127 -0.452 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.966 10.193 -0.441 1.00 0.00 H new ATOM 552 N SER A 35 -18.981 7.347 -1.644 1.00 0.00 N ATOM 553 CA SER A 35 -18.184 6.426 -0.855 1.00 0.00 C ATOM 554 C SER A 35 -16.711 6.826 -0.887 1.00 0.00 C ATOM 555 O SER A 35 -16.079 6.823 -1.947 1.00 0.00 O ATOM 556 CB SER A 35 -18.365 5.004 -1.386 1.00 0.00 C ATOM 557 OG SER A 35 -18.158 4.957 -2.790 1.00 0.00 O ATOM 0 H SER A 35 -18.667 7.457 -2.608 1.00 0.00 H new ATOM 0 HA SER A 35 -18.522 6.464 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.664 4.334 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 35 -19.368 4.648 -1.150 1.00 0.00 H new ATOM 0 HG SER A 35 -17.381 5.507 -3.025 1.00 0.00 H new ATOM 563 N MET A 36 -16.177 7.179 0.272 1.00 0.00 N ATOM 564 CA MET A 36 -14.775 7.555 0.383 1.00 0.00 C ATOM 565 C MET A 36 -13.923 6.319 0.637 1.00 0.00 C ATOM 566 O MET A 36 -14.372 5.370 1.284 1.00 0.00 O ATOM 567 CB MET A 36 -14.567 8.572 1.506 1.00 0.00 C ATOM 568 CG MET A 36 -15.269 9.899 1.271 1.00 0.00 C ATOM 569 SD MET A 36 -15.005 11.074 2.615 1.00 0.00 S ATOM 570 CE MET A 36 -13.220 11.239 2.572 1.00 0.00 C ATOM 0 H MET A 36 -16.694 7.213 1.151 1.00 0.00 H new ATOM 0 HA MET A 36 -14.470 8.016 -0.556 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.925 8.143 2.442 1.00 0.00 H new ATOM 0 HB3 MET A 36 -13.499 8.753 1.626 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.911 10.334 0.338 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.338 9.724 1.152 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.928 12.162 3.073 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.764 10.390 3.081 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.882 11.265 1.536 1.00 0.00 H new ATOM 580 N ARG A 37 -12.701 6.337 0.130 1.00 0.00 N ATOM 581 CA ARG A 37 -11.789 5.206 0.258 1.00 0.00 C ATOM 582 C ARG A 37 -10.355 5.654 0.030 1.00 0.00 C ATOM 583 O ARG A 37 -9.946 5.922 -1.095 1.00 0.00 O ATOM 584 CB ARG A 37 -12.163 4.040 -0.685 1.00 0.00 C ATOM 585 CG ARG A 37 -13.015 4.401 -1.905 1.00 0.00 C ATOM 586 CD ARG A 37 -12.216 5.046 -3.030 1.00 0.00 C ATOM 587 NE ARG A 37 -12.012 6.478 -2.824 1.00 0.00 N ATOM 588 CZ ARG A 37 -11.926 7.373 -3.803 1.00 0.00 C ATOM 589 NH1 ARG A 37 -11.986 6.988 -5.072 1.00 0.00 N ATOM 590 NH2 ARG A 37 -11.768 8.653 -3.505 1.00 0.00 N ATOM 0 H ARG A 37 -12.312 7.130 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.881 4.827 1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.242 3.575 -1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.698 3.288 -0.104 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.497 3.499 -2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.809 5.081 -1.596 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.247 4.553 -3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.735 4.889 -3.976 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.930 6.814 -1.864 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.099 6.000 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.919 7.680 -5.819 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.713 8.947 -2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.701 9.346 -4.251 1.00 0.00 H new ATOM 604 N TYR A 38 -9.608 5.739 1.118 1.00 0.00 N ATOM 605 CA TYR A 38 -8.246 6.256 1.085 1.00 0.00 C ATOM 606 C TYR A 38 -7.368 5.391 0.192 1.00 0.00 C ATOM 607 O TYR A 38 -7.266 4.184 0.390 1.00 0.00 O ATOM 608 CB TYR A 38 -7.653 6.311 2.502 1.00 0.00 C ATOM 609 CG TYR A 38 -8.357 7.261 3.461 1.00 0.00 C ATOM 610 CD1 TYR A 38 -9.639 7.742 3.207 1.00 0.00 C ATOM 611 CD2 TYR A 38 -7.730 7.672 4.632 1.00 0.00 C ATOM 612 CE1 TYR A 38 -10.272 8.597 4.086 1.00 0.00 C ATOM 613 CE2 TYR A 38 -8.361 8.527 5.518 1.00 0.00 C ATOM 614 CZ TYR A 38 -9.630 8.987 5.239 1.00 0.00 C ATOM 615 OH TYR A 38 -10.263 9.836 6.123 1.00 0.00 O ATOM 0 H TYR A 38 -9.924 5.454 2.045 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.278 7.266 0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.675 5.308 2.927 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -6.605 6.603 2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.148 7.440 2.304 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.734 7.318 4.854 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -11.267 8.958 3.870 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.861 8.833 6.425 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.674 10.012 6.886 1.00 0.00 H new ATOM 625 N GLU A 39 -6.726 6.013 -0.777 1.00 0.00 N ATOM 626 CA GLU A 39 -5.868 5.303 -1.707 1.00 0.00 C ATOM 627 C GLU A 39 -4.417 5.548 -1.335 1.00 0.00 C ATOM 628 O GLU A 39 -4.026 6.675 -1.030 1.00 0.00 O ATOM 629 CB GLU A 39 -6.123 5.768 -3.148 1.00 0.00 C ATOM 630 CG GLU A 39 -7.581 5.677 -3.573 1.00 0.00 C ATOM 631 CD GLU A 39 -7.816 6.128 -5.006 1.00 0.00 C ATOM 632 OE1 GLU A 39 -7.709 5.291 -5.929 1.00 0.00 O ATOM 633 OE2 GLU A 39 -8.130 7.313 -5.220 1.00 0.00 O ATOM 0 H GLU A 39 -6.783 7.018 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.090 4.237 -1.648 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.788 6.800 -3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.518 5.167 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.921 4.647 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.187 6.287 -2.903 1.00 0.00 H new ATOM 640 N ALA A 40 -3.623 4.496 -1.346 1.00 0.00 N ATOM 641 CA ALA A 40 -2.240 4.593 -0.925 1.00 0.00 C ATOM 642 C ALA A 40 -1.297 4.245 -2.059 1.00 0.00 C ATOM 643 O ALA A 40 -1.451 3.211 -2.717 1.00 0.00 O ATOM 644 CB ALA A 40 -1.985 3.698 0.278 1.00 0.00 C ATOM 0 H ALA A 40 -3.912 3.564 -1.642 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.048 5.626 -0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.941 3.784 0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.628 4.005 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.203 2.663 0.014 1.00 0.00 H new ATOM 650 N SER A 41 -0.339 5.121 -2.297 1.00 0.00 N ATOM 651 CA SER A 41 0.670 4.902 -3.309 1.00 0.00 C ATOM 652 C SER A 41 1.909 4.274 -2.674 1.00 0.00 C ATOM 653 O SER A 41 2.505 4.843 -1.759 1.00 0.00 O ATOM 654 CB SER A 41 1.032 6.226 -3.986 1.00 0.00 C ATOM 655 OG SER A 41 -0.127 6.873 -4.495 1.00 0.00 O ATOM 0 H SER A 41 -0.241 6.003 -1.793 1.00 0.00 H new ATOM 0 HA SER A 41 0.277 4.222 -4.065 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.533 6.879 -3.271 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.736 6.043 -4.798 1.00 0.00 H new ATOM 0 HG SER A 41 -0.462 6.380 -5.273 1.00 0.00 H new ATOM 661 N PHE A 42 2.286 3.103 -3.163 1.00 0.00 N ATOM 662 CA PHE A 42 3.426 2.381 -2.628 1.00 0.00 C ATOM 663 C PHE A 42 4.625 2.537 -3.549 1.00 0.00 C ATOM 664 O PHE A 42 4.535 2.300 -4.755 1.00 0.00 O ATOM 665 CB PHE A 42 3.092 0.896 -2.449 1.00 0.00 C ATOM 666 CG PHE A 42 1.957 0.642 -1.499 1.00 0.00 C ATOM 667 CD1 PHE A 42 2.173 0.626 -0.129 1.00 0.00 C ATOM 668 CD2 PHE A 42 0.675 0.417 -1.974 1.00 0.00 C ATOM 669 CE1 PHE A 42 1.131 0.388 0.747 1.00 0.00 C ATOM 670 CE2 PHE A 42 -0.371 0.179 -1.104 1.00 0.00 C ATOM 671 CZ PHE A 42 -0.141 0.167 0.260 1.00 0.00 C ATOM 0 H PHE A 42 1.814 2.631 -3.935 1.00 0.00 H new ATOM 0 HA PHE A 42 3.670 2.801 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.843 0.469 -3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.979 0.374 -2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.166 0.801 0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.491 0.428 -3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.312 0.375 1.812 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.365 0.003 -1.487 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.957 -0.015 0.944 1.00 0.00 H new ATOM 681 N LYS A 43 5.737 2.949 -2.967 1.00 0.00 N ATOM 682 CA LYS A 43 6.952 3.216 -3.716 1.00 0.00 C ATOM 683 C LYS A 43 7.873 1.996 -3.685 1.00 0.00 C ATOM 684 O LYS A 43 8.236 1.515 -2.607 1.00 0.00 O ATOM 685 CB LYS A 43 7.655 4.435 -3.110 1.00 0.00 C ATOM 686 CG LYS A 43 8.677 5.080 -4.026 1.00 0.00 C ATOM 687 CD LYS A 43 9.171 6.393 -3.444 1.00 0.00 C ATOM 688 CE LYS A 43 9.959 7.196 -4.462 1.00 0.00 C ATOM 689 NZ LYS A 43 10.325 8.536 -3.938 1.00 0.00 N ATOM 0 H LYS A 43 5.823 3.108 -1.963 1.00 0.00 H new ATOM 0 HA LYS A 43 6.701 3.424 -4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.904 5.178 -2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.150 4.134 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.518 4.403 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.234 5.255 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.321 6.980 -3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.797 6.193 -2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.863 6.652 -4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.369 7.309 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.862 9.056 -4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.461 9.064 -3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.908 8.427 -3.084 1.00 0.00 H new ATOM 703 N PRO A 44 8.238 1.462 -4.862 1.00 0.00 N ATOM 704 CA PRO A 44 9.092 0.278 -4.966 1.00 0.00 C ATOM 705 C PRO A 44 10.562 0.589 -4.694 1.00 0.00 C ATOM 706 O PRO A 44 11.120 1.542 -5.240 1.00 0.00 O ATOM 707 CB PRO A 44 8.913 -0.184 -6.423 1.00 0.00 C ATOM 708 CG PRO A 44 7.872 0.708 -7.021 1.00 0.00 C ATOM 709 CD PRO A 44 7.849 1.956 -6.186 1.00 0.00 C ATOM 0 HA PRO A 44 8.814 -0.475 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.851 -0.109 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.601 -1.228 -6.465 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.110 0.940 -8.059 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.897 0.222 -7.019 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.546 2.706 -6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.861 2.417 -6.173 1.00 0.00 H new ATOM 717 N LEU A 45 11.188 -0.230 -3.854 1.00 0.00 N ATOM 718 CA LEU A 45 12.603 -0.073 -3.533 1.00 0.00 C ATOM 719 C LEU A 45 13.480 -0.405 -4.733 1.00 0.00 C ATOM 720 O LEU A 45 14.610 0.068 -4.840 1.00 0.00 O ATOM 721 CB LEU A 45 12.990 -0.980 -2.366 1.00 0.00 C ATOM 722 CG LEU A 45 12.313 -0.664 -1.033 1.00 0.00 C ATOM 723 CD1 LEU A 45 12.690 -1.716 -0.002 1.00 0.00 C ATOM 724 CD2 LEU A 45 12.706 0.725 -0.548 1.00 0.00 C ATOM 0 H LEU A 45 10.735 -1.012 -3.381 1.00 0.00 H new ATOM 0 HA LEU A 45 12.762 0.969 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.757 -2.010 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.070 -0.923 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 45 11.232 -0.679 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.205 -1.486 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.365 -2.697 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.771 -1.720 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.214 0.931 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.787 0.771 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.399 1.468 -1.284 1.00 0.00 H new ATOM 736 N ASN A 46 12.943 -1.209 -5.646 1.00 0.00 N ATOM 737 CA ASN A 46 13.709 -1.678 -6.797 1.00 0.00 C ATOM 738 C ASN A 46 13.625 -0.683 -7.944 1.00 0.00 C ATOM 739 O ASN A 46 13.945 -1.004 -9.089 1.00 0.00 O ATOM 740 CB ASN A 46 13.205 -3.049 -7.270 1.00 0.00 C ATOM 741 CG ASN A 46 13.170 -4.108 -6.177 1.00 0.00 C ATOM 742 OD1 ASN A 46 12.328 -5.005 -6.205 1.00 0.00 O ATOM 743 ND2 ASN A 46 14.071 -4.024 -5.211 1.00 0.00 N ATOM 0 H ASN A 46 11.982 -1.549 -5.612 1.00 0.00 H new ATOM 0 HA ASN A 46 14.749 -1.773 -6.483 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.202 -2.934 -7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.844 -3.399 -8.081 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.081 -4.715 -4.461 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.756 -3.268 -5.217 1.00 0.00 H new ATOM 750 N GLY A 47 13.218 0.528 -7.615 1.00 0.00 N ATOM 751 CA GLY A 47 13.040 1.561 -8.617 1.00 0.00 C ATOM 752 C GLY A 47 11.768 1.377 -9.425 1.00 0.00 C ATOM 753 O GLY A 47 11.525 0.308 -9.987 1.00 0.00 O ATOM 0 H GLY A 47 13.004 0.821 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.018 2.535 -8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.897 1.561 -9.290 1.00 0.00 H new ATOM 757 N GLY A 48 10.955 2.418 -9.494 1.00 0.00 N ATOM 758 CA GLY A 48 9.724 2.337 -10.249 1.00 0.00 C ATOM 759 C GLY A 48 8.814 3.519 -10.002 1.00 0.00 C ATOM 760 O GLY A 48 9.284 4.634 -9.771 1.00 0.00 O ATOM 0 H GLY A 48 11.125 3.316 -9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.957 2.278 -11.312 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.200 1.418 -9.986 1.00 0.00 H new ATOM 764 N LEU A 49 7.515 3.278 -10.049 1.00 0.00 N ATOM 765 CA LEU A 49 6.531 4.327 -9.832 1.00 0.00 C ATOM 766 C LEU A 49 5.594 3.943 -8.699 1.00 0.00 C ATOM 767 O LEU A 49 5.402 2.756 -8.418 1.00 0.00 O ATOM 768 CB LEU A 49 5.731 4.589 -11.111 1.00 0.00 C ATOM 769 CG LEU A 49 6.546 5.111 -12.296 1.00 0.00 C ATOM 770 CD1 LEU A 49 5.666 5.235 -13.530 1.00 0.00 C ATOM 771 CD2 LEU A 49 7.183 6.453 -11.958 1.00 0.00 C ATOM 0 H LEU A 49 7.114 2.359 -10.237 1.00 0.00 H new ATOM 0 HA LEU A 49 7.058 5.242 -9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.240 3.663 -11.409 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.944 5.309 -10.887 1.00 0.00 H new ATOM 0 HG LEU A 49 7.342 4.397 -12.508 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.260 5.608 -14.365 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.256 4.258 -13.784 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.850 5.929 -13.327 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.758 6.808 -12.813 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.403 7.176 -11.720 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.844 6.336 -11.099 1.00 0.00 H new ATOM 783 N GLU A 50 5.018 4.947 -8.058 1.00 0.00 N ATOM 784 CA GLU A 50 4.136 4.738 -6.918 1.00 0.00 C ATOM 785 C GLU A 50 2.835 4.064 -7.348 1.00 0.00 C ATOM 786 O GLU A 50 2.024 4.653 -8.066 1.00 0.00 O ATOM 787 CB GLU A 50 3.841 6.077 -6.244 1.00 0.00 C ATOM 788 CG GLU A 50 5.086 6.799 -5.763 1.00 0.00 C ATOM 789 CD GLU A 50 4.848 8.275 -5.525 1.00 0.00 C ATOM 790 OE1 GLU A 50 4.929 9.054 -6.499 1.00 0.00 O ATOM 791 OE2 GLU A 50 4.597 8.667 -4.367 1.00 0.00 O ATOM 0 H GLU A 50 5.147 5.927 -8.311 1.00 0.00 H new ATOM 0 HA GLU A 50 4.636 4.079 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.307 6.718 -6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.177 5.910 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.435 6.338 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.880 6.677 -6.500 1.00 0.00 H new ATOM 798 N LYS A 51 2.641 2.832 -6.893 1.00 0.00 N ATOM 799 CA LYS A 51 1.432 2.079 -7.198 1.00 0.00 C ATOM 800 C LYS A 51 0.324 2.485 -6.241 1.00 0.00 C ATOM 801 O LYS A 51 0.466 2.354 -5.028 1.00 0.00 O ATOM 802 CB LYS A 51 1.691 0.574 -7.070 1.00 0.00 C ATOM 803 CG LYS A 51 2.606 -0.002 -8.143 1.00 0.00 C ATOM 804 CD LYS A 51 2.991 -1.439 -7.815 1.00 0.00 C ATOM 805 CE LYS A 51 3.795 -2.090 -8.929 1.00 0.00 C ATOM 806 NZ LYS A 51 2.959 -2.387 -10.127 1.00 0.00 N ATOM 0 H LYS A 51 3.310 2.331 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 51 1.132 2.299 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.129 0.375 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.736 0.049 -7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.105 0.033 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.505 0.609 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.572 -1.456 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.088 -2.022 -7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.616 -1.432 -9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.241 -3.014 -8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.522 -2.920 -10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.134 -2.952 -9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.637 -1.496 -10.555 1.00 0.00 H new ATOM 820 N THR A 52 -0.777 2.981 -6.781 1.00 0.00 N ATOM 821 CA THR A 52 -1.856 3.496 -5.956 1.00 0.00 C ATOM 822 C THR A 52 -3.011 2.501 -5.867 1.00 0.00 C ATOM 823 O THR A 52 -3.708 2.250 -6.851 1.00 0.00 O ATOM 824 CB THR A 52 -2.369 4.840 -6.504 1.00 0.00 C ATOM 825 OG1 THR A 52 -1.258 5.726 -6.707 1.00 0.00 O ATOM 826 CG2 THR A 52 -3.361 5.482 -5.548 1.00 0.00 C ATOM 0 H THR A 52 -0.947 3.038 -7.785 1.00 0.00 H new ATOM 0 HA THR A 52 -1.455 3.650 -4.954 1.00 0.00 H new ATOM 0 HB THR A 52 -2.878 4.653 -7.449 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.582 6.582 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.705 6.429 -5.963 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.213 4.817 -5.407 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.877 5.661 -4.588 1.00 0.00 H new ATOM 834 N PHE A 53 -3.194 1.930 -4.686 1.00 0.00 N ATOM 835 CA PHE A 53 -4.279 0.990 -4.445 1.00 0.00 C ATOM 836 C PHE A 53 -5.282 1.593 -3.472 1.00 0.00 C ATOM 837 O PHE A 53 -4.921 2.414 -2.631 1.00 0.00 O ATOM 838 CB PHE A 53 -3.737 -0.330 -3.892 1.00 0.00 C ATOM 839 CG PHE A 53 -2.803 -1.039 -4.831 1.00 0.00 C ATOM 840 CD1 PHE A 53 -3.290 -1.686 -5.957 1.00 0.00 C ATOM 841 CD2 PHE A 53 -1.439 -1.066 -4.585 1.00 0.00 C ATOM 842 CE1 PHE A 53 -2.433 -2.344 -6.819 1.00 0.00 C ATOM 843 CE2 PHE A 53 -0.579 -1.721 -5.445 1.00 0.00 C ATOM 844 CZ PHE A 53 -1.077 -2.361 -6.563 1.00 0.00 C ATOM 0 H PHE A 53 -2.601 2.103 -3.874 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.779 0.787 -5.392 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.217 -0.135 -2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.574 -0.988 -3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.350 -1.676 -6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.044 -0.569 -3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.824 -2.845 -7.692 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.482 -1.733 -5.243 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.406 -2.874 -7.236 1.00 0.00 H new ATOM 854 N ARG A 54 -6.536 1.182 -3.586 1.00 0.00 N ATOM 855 CA ARG A 54 -7.594 1.724 -2.747 1.00 0.00 C ATOM 856 C ARG A 54 -7.722 0.937 -1.453 1.00 0.00 C ATOM 857 O ARG A 54 -7.704 -0.294 -1.456 1.00 0.00 O ATOM 858 CB ARG A 54 -8.918 1.745 -3.506 1.00 0.00 C ATOM 859 CG ARG A 54 -8.934 2.787 -4.607 1.00 0.00 C ATOM 860 CD ARG A 54 -10.222 2.772 -5.406 1.00 0.00 C ATOM 861 NE ARG A 54 -10.332 1.583 -6.244 1.00 0.00 N ATOM 862 CZ ARG A 54 -9.778 1.471 -7.453 1.00 0.00 C ATOM 863 NH1 ARG A 54 -9.033 2.462 -7.940 1.00 0.00 N ATOM 864 NH2 ARG A 54 -9.959 0.367 -8.166 1.00 0.00 N ATOM 0 H ARG A 54 -6.846 0.474 -4.252 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.331 2.749 -2.487 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.103 0.761 -3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.731 1.945 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.794 3.775 -4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.093 2.614 -5.278 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.072 2.815 -4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.270 3.663 -6.032 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.864 0.790 -5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.885 3.307 -7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.610 2.375 -8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.522 -0.396 -7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.536 0.282 -9.090 1.00 0.00 H new ATOM 878 N LEU A 55 -7.850 1.664 -0.355 1.00 0.00 N ATOM 879 CA LEU A 55 -7.864 1.072 0.972 1.00 0.00 C ATOM 880 C LEU A 55 -9.008 1.630 1.813 1.00 0.00 C ATOM 881 O LEU A 55 -9.646 2.618 1.445 1.00 0.00 O ATOM 882 CB LEU A 55 -6.533 1.362 1.671 1.00 0.00 C ATOM 883 CG LEU A 55 -5.314 0.650 1.081 1.00 0.00 C ATOM 884 CD1 LEU A 55 -4.045 1.117 1.772 1.00 0.00 C ATOM 885 CD2 LEU A 55 -5.461 -0.857 1.215 1.00 0.00 C ATOM 0 H LEU A 55 -7.947 2.679 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.008 -0.003 0.866 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.354 2.437 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.624 1.081 2.720 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.248 0.899 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.186 0.602 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.930 2.192 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.107 0.893 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.585 -1.347 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.550 -1.122 2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.354 -1.184 0.682 1.00 0.00 H new ATOM 897 N GLN A 56 -9.262 0.982 2.938 1.00 0.00 N ATOM 898 CA GLN A 56 -10.237 1.465 3.905 1.00 0.00 C ATOM 899 C GLN A 56 -9.520 2.083 5.097 1.00 0.00 C ATOM 900 O GLN A 56 -8.319 1.880 5.278 1.00 0.00 O ATOM 901 CB GLN A 56 -11.136 0.321 4.379 1.00 0.00 C ATOM 902 CG GLN A 56 -11.984 -0.295 3.278 1.00 0.00 C ATOM 903 CD GLN A 56 -12.947 0.698 2.656 1.00 0.00 C ATOM 904 OE1 GLN A 56 -13.405 1.635 3.312 1.00 0.00 O ATOM 905 NE2 GLN A 56 -13.274 0.490 1.394 1.00 0.00 N ATOM 0 H GLN A 56 -8.802 0.112 3.207 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.858 2.221 3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.514 -0.456 4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.793 0.691 5.166 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -11.331 -0.696 2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.547 -1.135 3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -12.872 -0.298 0.886 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.929 1.117 0.927 1.00 0.00 H new ATOM 914 N ALA A 57 -10.254 2.820 5.923 1.00 0.00 N ATOM 915 CA ALA A 57 -9.674 3.441 7.111 1.00 0.00 C ATOM 916 C ALA A 57 -9.206 2.371 8.090 1.00 0.00 C ATOM 917 O ALA A 57 -8.180 2.522 8.753 1.00 0.00 O ATOM 918 CB ALA A 57 -10.679 4.374 7.774 1.00 0.00 C ATOM 0 H ALA A 57 -11.249 3.003 5.794 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.811 4.033 6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -10.228 4.827 8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.967 5.157 7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.562 3.807 8.068 1.00 0.00 H new ATOM 924 N GLN A 58 -9.965 1.282 8.153 1.00 0.00 N ATOM 925 CA GLN A 58 -9.619 0.127 8.974 1.00 0.00 C ATOM 926 C GLN A 58 -8.242 -0.417 8.594 1.00 0.00 C ATOM 927 O GLN A 58 -7.492 -0.896 9.445 1.00 0.00 O ATOM 928 CB GLN A 58 -10.671 -0.967 8.782 1.00 0.00 C ATOM 929 CG GLN A 58 -10.475 -2.179 9.676 1.00 0.00 C ATOM 930 CD GLN A 58 -11.361 -3.342 9.277 1.00 0.00 C ATOM 931 OE1 GLN A 58 -12.448 -3.156 8.729 1.00 0.00 O ATOM 932 NE2 GLN A 58 -10.900 -4.550 9.550 1.00 0.00 N ATOM 0 H GLN A 58 -10.838 1.175 7.636 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.592 0.438 10.018 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.658 -0.545 8.972 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.658 -1.291 7.741 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.431 -2.491 9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.686 -1.903 10.709 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.994 -4.659 10.005 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -11.450 -5.373 9.305 1.00 0.00 H new ATOM 941 N GLN A 59 -7.917 -0.327 7.310 1.00 0.00 N ATOM 942 CA GLN A 59 -6.656 -0.841 6.791 1.00 0.00 C ATOM 943 C GLN A 59 -5.560 0.209 6.915 1.00 0.00 C ATOM 944 O GLN A 59 -4.421 -0.105 7.266 1.00 0.00 O ATOM 945 CB GLN A 59 -6.829 -1.256 5.330 1.00 0.00 C ATOM 946 CG GLN A 59 -7.868 -2.346 5.135 1.00 0.00 C ATOM 947 CD GLN A 59 -8.241 -2.540 3.680 1.00 0.00 C ATOM 948 OE1 GLN A 59 -8.208 -1.598 2.894 1.00 0.00 O ATOM 949 NE2 GLN A 59 -8.607 -3.756 3.320 1.00 0.00 N ATOM 0 H GLN A 59 -8.516 0.101 6.604 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.363 -1.712 7.377 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.114 -0.383 4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.871 -1.603 4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.485 -3.284 5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.763 -2.097 5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.620 -4.509 4.008 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.877 -3.942 2.354 1.00 0.00 H new ATOM 958 N TYR A 60 -5.923 1.462 6.650 1.00 0.00 N ATOM 959 CA TYR A 60 -4.992 2.586 6.757 1.00 0.00 C ATOM 960 C TYR A 60 -4.527 2.757 8.206 1.00 0.00 C ATOM 961 O TYR A 60 -3.524 3.412 8.480 1.00 0.00 O ATOM 962 CB TYR A 60 -5.663 3.870 6.253 1.00 0.00 C ATOM 963 CG TYR A 60 -4.743 5.071 6.220 1.00 0.00 C ATOM 964 CD1 TYR A 60 -3.751 5.182 5.255 1.00 0.00 C ATOM 965 CD2 TYR A 60 -4.861 6.087 7.160 1.00 0.00 C ATOM 966 CE1 TYR A 60 -2.903 6.273 5.227 1.00 0.00 C ATOM 967 CE2 TYR A 60 -4.016 7.180 7.139 1.00 0.00 C ATOM 968 CZ TYR A 60 -3.040 7.268 6.171 1.00 0.00 C ATOM 969 OH TYR A 60 -2.197 8.354 6.147 1.00 0.00 O ATOM 0 H TYR A 60 -6.863 1.727 6.357 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.118 2.381 6.139 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.052 3.695 5.250 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.517 4.096 6.891 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.640 4.404 4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.626 6.021 7.920 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.137 6.346 4.469 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.120 7.961 7.878 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.428 8.963 6.879 1.00 0.00 H new ATOM 979 N HIS A 61 -5.274 2.146 9.122 1.00 0.00 N ATOM 980 CA HIS A 61 -4.941 2.132 10.545 1.00 0.00 C ATOM 981 C HIS A 61 -3.506 1.647 10.772 1.00 0.00 C ATOM 982 O HIS A 61 -2.849 2.053 11.729 1.00 0.00 O ATOM 983 CB HIS A 61 -5.935 1.215 11.279 1.00 0.00 C ATOM 984 CG HIS A 61 -5.818 1.207 12.778 1.00 0.00 C ATOM 985 ND1 HIS A 61 -6.800 1.706 13.606 1.00 0.00 N ATOM 986 CD2 HIS A 61 -4.854 0.721 13.598 1.00 0.00 C ATOM 987 CE1 HIS A 61 -6.445 1.531 14.864 1.00 0.00 C ATOM 988 NE2 HIS A 61 -5.269 0.934 14.887 1.00 0.00 N ATOM 0 H HIS A 61 -6.133 1.643 8.897 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.012 3.147 10.937 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -6.948 1.517 11.012 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -5.800 0.196 10.915 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -3.930 0.253 13.292 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.020 1.827 15.729 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -4.753 0.673 15.727 1.00 0.00 H new ATOM 997 N ALA A 62 -3.026 0.778 9.890 1.00 0.00 N ATOM 998 CA ALA A 62 -1.705 0.184 10.049 1.00 0.00 C ATOM 999 C ALA A 62 -0.626 0.982 9.319 1.00 0.00 C ATOM 1000 O ALA A 62 0.300 1.500 9.944 1.00 0.00 O ATOM 1001 CB ALA A 62 -1.716 -1.258 9.561 1.00 0.00 C ATOM 0 H ALA A 62 -3.531 0.470 9.059 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.462 0.204 11.111 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.724 -1.692 9.685 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.438 -1.833 10.141 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.994 -1.283 8.507 1.00 0.00 H new ATOM 1007 N LEU A 63 -0.761 1.093 8.002 1.00 0.00 N ATOM 1008 CA LEU A 63 0.280 1.696 7.176 1.00 0.00 C ATOM 1009 C LEU A 63 0.341 3.209 7.355 1.00 0.00 C ATOM 1010 O LEU A 63 -0.679 3.897 7.355 1.00 0.00 O ATOM 1011 CB LEU A 63 0.088 1.361 5.689 1.00 0.00 C ATOM 1012 CG LEU A 63 -1.215 1.847 5.050 1.00 0.00 C ATOM 1013 CD1 LEU A 63 -0.962 2.293 3.619 1.00 0.00 C ATOM 1014 CD2 LEU A 63 -2.260 0.744 5.066 1.00 0.00 C ATOM 0 H LEU A 63 -1.580 0.774 7.484 1.00 0.00 H new ATOM 0 HA LEU A 63 1.225 1.269 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.923 1.786 5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.145 0.279 5.571 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.587 2.692 5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.896 2.637 3.174 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.237 3.107 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.571 1.456 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.180 1.108 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.891 -0.115 4.506 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.460 0.447 6.096 1.00 0.00 H new ATOM 1026 N THR A 64 1.551 3.711 7.518 1.00 0.00 N ATOM 1027 CA THR A 64 1.788 5.139 7.649 1.00 0.00 C ATOM 1028 C THR A 64 2.769 5.598 6.571 1.00 0.00 C ATOM 1029 O THR A 64 3.613 4.820 6.132 1.00 0.00 O ATOM 1030 CB THR A 64 2.351 5.463 9.047 1.00 0.00 C ATOM 1031 OG1 THR A 64 1.547 4.818 10.043 1.00 0.00 O ATOM 1032 CG2 THR A 64 2.367 6.963 9.306 1.00 0.00 C ATOM 0 H THR A 64 2.397 3.143 7.563 1.00 0.00 H new ATOM 0 HA THR A 64 0.843 5.667 7.524 1.00 0.00 H new ATOM 0 HB THR A 64 3.377 5.099 9.094 1.00 0.00 H new ATOM 0 HG1 THR A 64 1.904 5.021 10.933 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.770 7.156 10.300 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.991 7.454 8.560 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.351 7.354 9.244 1.00 0.00 H new ATOM 1040 N VAL A 65 2.647 6.844 6.129 1.00 0.00 N ATOM 1041 CA VAL A 65 3.555 7.386 5.124 1.00 0.00 C ATOM 1042 C VAL A 65 4.997 7.347 5.624 1.00 0.00 C ATOM 1043 O VAL A 65 5.302 7.844 6.707 1.00 0.00 O ATOM 1044 CB VAL A 65 3.170 8.829 4.736 1.00 0.00 C ATOM 1045 CG1 VAL A 65 4.193 9.434 3.784 1.00 0.00 C ATOM 1046 CG2 VAL A 65 1.784 8.845 4.111 1.00 0.00 C ATOM 0 H VAL A 65 1.931 7.496 6.449 1.00 0.00 H new ATOM 0 HA VAL A 65 3.471 6.761 4.235 1.00 0.00 H new ATOM 0 HB VAL A 65 3.159 9.437 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.895 10.451 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.171 9.452 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.246 8.832 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.519 9.867 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.780 8.220 3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.058 8.460 4.827 1.00 0.00 H new ATOM 1056 N GLY A 66 5.866 6.728 4.834 1.00 0.00 N ATOM 1057 CA GLY A 66 7.252 6.562 5.223 1.00 0.00 C ATOM 1058 C GLY A 66 7.496 5.215 5.874 1.00 0.00 C ATOM 1059 O GLY A 66 8.616 4.693 5.861 1.00 0.00 O ATOM 0 H GLY A 66 5.631 6.335 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.890 6.663 4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.533 7.356 5.914 1.00 0.00 H new ATOM 1063 N ASP A 67 6.438 4.635 6.423 1.00 0.00 N ATOM 1064 CA ASP A 67 6.550 3.369 7.128 1.00 0.00 C ATOM 1065 C ASP A 67 6.683 2.221 6.141 1.00 0.00 C ATOM 1066 O ASP A 67 5.700 1.756 5.565 1.00 0.00 O ATOM 1067 CB ASP A 67 5.351 3.140 8.052 1.00 0.00 C ATOM 1068 CG ASP A 67 5.476 1.858 8.851 1.00 0.00 C ATOM 1069 OD1 ASP A 67 6.423 1.757 9.665 1.00 0.00 O ATOM 1070 OD2 ASP A 67 4.628 0.959 8.678 1.00 0.00 O ATOM 0 H ASP A 67 5.494 5.021 6.393 1.00 0.00 H new ATOM 0 HA ASP A 67 7.448 3.408 7.745 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.256 3.984 8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.438 3.107 7.457 1.00 0.00 H new ATOM 1075 N GLN A 68 7.923 1.827 5.899 1.00 0.00 N ATOM 1076 CA GLN A 68 8.213 0.668 5.065 1.00 0.00 C ATOM 1077 C GLN A 68 7.617 -0.602 5.661 1.00 0.00 C ATOM 1078 O GLN A 68 7.626 -0.801 6.877 1.00 0.00 O ATOM 1079 CB GLN A 68 9.717 0.482 4.899 1.00 0.00 C ATOM 1080 CG GLN A 68 10.388 1.551 4.062 1.00 0.00 C ATOM 1081 CD GLN A 68 11.872 1.294 3.898 1.00 0.00 C ATOM 1082 OE1 GLN A 68 12.319 0.146 3.924 1.00 0.00 O ATOM 1083 NE2 GLN A 68 12.645 2.353 3.733 1.00 0.00 N ATOM 0 H GLN A 68 8.750 2.295 6.270 1.00 0.00 H new ATOM 0 HA GLN A 68 7.761 0.850 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.180 0.465 5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.903 -0.490 4.443 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.916 1.592 3.080 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.238 2.525 4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 68 12.234 3.287 3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 68 13.652 2.237 3.621 1.00 0.00 H new ATOM 1092 N GLY A 69 7.137 -1.474 4.792 1.00 0.00 N ATOM 1093 CA GLY A 69 6.555 -2.718 5.234 1.00 0.00 C ATOM 1094 C GLY A 69 6.492 -3.727 4.113 1.00 0.00 C ATOM 1095 O GLY A 69 6.861 -3.419 2.980 1.00 0.00 O ATOM 0 H GLY A 69 7.141 -1.340 3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.142 -3.124 6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.551 -2.536 5.618 1.00 0.00 H new ATOM 1099 N THR A 70 6.023 -4.920 4.418 1.00 0.00 N ATOM 1100 CA THR A 70 6.001 -5.997 3.450 1.00 0.00 C ATOM 1101 C THR A 70 4.675 -6.015 2.701 1.00 0.00 C ATOM 1102 O THR A 70 3.602 -5.961 3.304 1.00 0.00 O ATOM 1103 CB THR A 70 6.233 -7.349 4.146 1.00 0.00 C ATOM 1104 OG1 THR A 70 7.384 -7.247 4.995 1.00 0.00 O ATOM 1105 CG2 THR A 70 6.446 -8.462 3.131 1.00 0.00 C ATOM 0 H THR A 70 5.650 -5.169 5.334 1.00 0.00 H new ATOM 0 HA THR A 70 6.804 -5.829 2.733 1.00 0.00 H new ATOM 0 HB THR A 70 5.349 -7.593 4.735 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.537 -8.105 5.443 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.607 -9.405 3.653 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.566 -8.546 2.493 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.318 -8.233 2.518 1.00 0.00 H new ATOM 1113 N LEU A 71 4.753 -6.086 1.386 1.00 0.00 N ATOM 1114 CA LEU A 71 3.566 -6.065 0.556 1.00 0.00 C ATOM 1115 C LEU A 71 3.431 -7.366 -0.221 1.00 0.00 C ATOM 1116 O LEU A 71 4.333 -7.758 -0.959 1.00 0.00 O ATOM 1117 CB LEU A 71 3.620 -4.880 -0.414 1.00 0.00 C ATOM 1118 CG LEU A 71 2.405 -4.731 -1.333 1.00 0.00 C ATOM 1119 CD1 LEU A 71 1.141 -4.526 -0.518 1.00 0.00 C ATOM 1120 CD2 LEU A 71 2.609 -3.572 -2.299 1.00 0.00 C ATOM 0 H LEU A 71 5.629 -6.159 0.869 1.00 0.00 H new ATOM 0 HA LEU A 71 2.696 -5.956 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.732 -3.963 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.513 -4.978 -1.032 1.00 0.00 H new ATOM 0 HG LEU A 71 2.296 -5.649 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.288 -4.422 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.986 -5.385 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.240 -3.624 0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.736 -3.479 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.743 -2.648 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.494 -3.757 -2.908 1.00 0.00 H new ATOM 1132 N SER A 72 2.306 -8.033 -0.024 1.00 0.00 N ATOM 1133 CA SER A 72 1.979 -9.240 -0.760 1.00 0.00 C ATOM 1134 C SER A 72 1.052 -8.891 -1.914 1.00 0.00 C ATOM 1135 O SER A 72 -0.123 -8.577 -1.706 1.00 0.00 O ATOM 1136 CB SER A 72 1.306 -10.247 0.173 1.00 0.00 C ATOM 1137 OG SER A 72 2.114 -10.505 1.310 1.00 0.00 O ATOM 0 H SER A 72 1.595 -7.752 0.651 1.00 0.00 H new ATOM 0 HA SER A 72 2.891 -9.686 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.337 -9.862 0.491 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.119 -11.177 -0.364 1.00 0.00 H new ATOM 0 HG SER A 72 1.560 -10.878 2.027 1.00 0.00 H new ATOM 1143 N TYR A 73 1.591 -8.888 -3.119 1.00 0.00 N ATOM 1144 CA TYR A 73 0.782 -8.660 -4.301 1.00 0.00 C ATOM 1145 C TYR A 73 0.890 -9.846 -5.248 1.00 0.00 C ATOM 1146 O TYR A 73 1.982 -10.247 -5.651 1.00 0.00 O ATOM 1147 CB TYR A 73 1.157 -7.343 -5.000 1.00 0.00 C ATOM 1148 CG TYR A 73 2.636 -7.148 -5.276 1.00 0.00 C ATOM 1149 CD1 TYR A 73 3.481 -6.633 -4.300 1.00 0.00 C ATOM 1150 CD2 TYR A 73 3.181 -7.456 -6.517 1.00 0.00 C ATOM 1151 CE1 TYR A 73 4.825 -6.438 -4.548 1.00 0.00 C ATOM 1152 CE2 TYR A 73 4.526 -7.264 -6.772 1.00 0.00 C ATOM 1153 CZ TYR A 73 5.341 -6.755 -5.785 1.00 0.00 C ATOM 1154 OH TYR A 73 6.683 -6.563 -6.033 1.00 0.00 O ATOM 0 H TYR A 73 2.582 -9.040 -3.304 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.258 -8.565 -3.989 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.618 -7.288 -5.946 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.807 -6.513 -4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.079 -6.381 -3.330 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.544 -7.851 -7.294 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.468 -6.039 -3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.936 -7.512 -7.740 1.00 0.00 H new ATOM 0 HH TYR A 73 6.888 -6.836 -6.951 1.00 0.00 H new ATOM 1164 N LYS A 74 -0.255 -10.431 -5.561 1.00 0.00 N ATOM 1165 CA LYS A 74 -0.307 -11.592 -6.426 1.00 0.00 C ATOM 1166 C LYS A 74 -0.664 -11.145 -7.832 1.00 0.00 C ATOM 1167 O LYS A 74 -1.811 -10.801 -8.116 1.00 0.00 O ATOM 1168 CB LYS A 74 -1.332 -12.595 -5.887 1.00 0.00 C ATOM 1169 CG LYS A 74 -1.327 -13.941 -6.594 1.00 0.00 C ATOM 1170 CD LYS A 74 -2.229 -14.939 -5.878 1.00 0.00 C ATOM 1171 CE LYS A 74 -1.737 -15.220 -4.464 1.00 0.00 C ATOM 1172 NZ LYS A 74 -2.681 -16.070 -3.690 1.00 0.00 N ATOM 0 H LYS A 74 -1.165 -10.116 -5.225 1.00 0.00 H new ATOM 0 HA LYS A 74 0.665 -12.086 -6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.142 -12.755 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.327 -12.159 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.663 -13.816 -7.623 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.310 -14.330 -6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.246 -14.550 -5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.265 -15.870 -6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.766 -15.712 -4.512 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.590 -14.276 -3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.300 -16.232 -2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.601 -15.591 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.802 -16.983 -4.173 1.00 0.00 H new ATOM 1186 N GLY A 75 0.338 -11.117 -8.693 1.00 0.00 N ATOM 1187 CA GLY A 75 0.148 -10.587 -10.024 1.00 0.00 C ATOM 1188 C GLY A 75 0.219 -9.072 -10.024 1.00 0.00 C ATOM 1189 O GLY A 75 1.265 -8.495 -9.728 1.00 0.00 O ATOM 0 H GLY A 75 1.281 -11.452 -8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.910 -10.990 -10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.818 -10.909 -10.412 1.00 0.00 H new ATOM 1193 N THR A 76 -0.896 -8.433 -10.337 1.00 0.00 N ATOM 1194 CA THR A 76 -0.957 -6.979 -10.361 1.00 0.00 C ATOM 1195 C THR A 76 -1.990 -6.465 -9.362 1.00 0.00 C ATOM 1196 O THR A 76 -2.395 -5.303 -9.408 1.00 0.00 O ATOM 1197 CB THR A 76 -1.311 -6.469 -11.772 1.00 0.00 C ATOM 1198 OG1 THR A 76 -2.404 -7.229 -12.310 1.00 0.00 O ATOM 1199 CG2 THR A 76 -0.110 -6.566 -12.701 1.00 0.00 C ATOM 0 H THR A 76 -1.772 -8.897 -10.578 1.00 0.00 H new ATOM 0 HA THR A 76 0.027 -6.602 -10.083 1.00 0.00 H new ATOM 0 HB THR A 76 -1.603 -5.422 -11.693 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.623 -6.897 -13.206 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.385 -6.200 -13.690 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.706 -5.962 -12.305 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.210 -7.605 -12.774 1.00 0.00 H new ATOM 1207 N ARG A 77 -2.394 -7.332 -8.443 1.00 0.00 N ATOM 1208 CA ARG A 77 -3.450 -7.001 -7.502 1.00 0.00 C ATOM 1209 C ARG A 77 -2.925 -6.904 -6.075 1.00 0.00 C ATOM 1210 O ARG A 77 -2.094 -7.710 -5.646 1.00 0.00 O ATOM 1211 CB ARG A 77 -4.559 -8.049 -7.578 1.00 0.00 C ATOM 1212 CG ARG A 77 -5.718 -7.797 -6.628 1.00 0.00 C ATOM 1213 CD ARG A 77 -6.841 -8.792 -6.853 1.00 0.00 C ATOM 1214 NE ARG A 77 -7.303 -8.768 -8.238 1.00 0.00 N ATOM 1215 CZ ARG A 77 -8.523 -8.386 -8.612 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -9.419 -8.021 -7.702 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -8.844 -8.365 -9.899 1.00 0.00 N ATOM 0 H ARG A 77 -2.005 -8.268 -8.331 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.847 -6.024 -7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.941 -8.085 -8.598 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.133 -9.029 -7.363 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.368 -7.867 -5.598 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.093 -6.783 -6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.497 -9.795 -6.600 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.672 -8.562 -6.186 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.651 -9.062 -8.965 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.174 -8.032 -6.712 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.352 -7.729 -7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.157 -8.641 -10.601 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.778 -8.073 -10.187 1.00 0.00 H new ATOM 1231 N PHE A 78 -3.415 -5.904 -5.355 1.00 0.00 N ATOM 1232 CA PHE A 78 -3.112 -5.740 -3.942 1.00 0.00 C ATOM 1233 C PHE A 78 -3.787 -6.846 -3.137 1.00 0.00 C ATOM 1234 O PHE A 78 -5.014 -6.941 -3.108 1.00 0.00 O ATOM 1235 CB PHE A 78 -3.600 -4.364 -3.469 1.00 0.00 C ATOM 1236 CG PHE A 78 -3.355 -4.080 -2.013 1.00 0.00 C ATOM 1237 CD1 PHE A 78 -4.287 -4.444 -1.053 1.00 0.00 C ATOM 1238 CD2 PHE A 78 -2.200 -3.435 -1.606 1.00 0.00 C ATOM 1239 CE1 PHE A 78 -4.069 -4.177 0.283 1.00 0.00 C ATOM 1240 CE2 PHE A 78 -1.976 -3.164 -0.271 1.00 0.00 C ATOM 1241 CZ PHE A 78 -2.912 -3.535 0.675 1.00 0.00 C ATOM 0 H PHE A 78 -4.032 -5.186 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.034 -5.805 -3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.108 -3.594 -4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.669 -4.285 -3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.196 -4.943 -1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.466 -3.140 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.802 -4.470 1.020 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.069 -2.662 0.034 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.739 -3.323 1.720 1.00 0.00 H new ATOM 1251 N VAL A 79 -2.989 -7.688 -2.501 1.00 0.00 N ATOM 1252 CA VAL A 79 -3.526 -8.758 -1.674 1.00 0.00 C ATOM 1253 C VAL A 79 -3.538 -8.341 -0.208 1.00 0.00 C ATOM 1254 O VAL A 79 -4.592 -8.325 0.434 1.00 0.00 O ATOM 1255 CB VAL A 79 -2.719 -10.063 -1.845 1.00 0.00 C ATOM 1256 CG1 VAL A 79 -3.228 -11.150 -0.914 1.00 0.00 C ATOM 1257 CG2 VAL A 79 -2.777 -10.531 -3.289 1.00 0.00 C ATOM 0 H VAL A 79 -1.970 -7.652 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.548 -8.947 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.682 -9.856 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.640 -12.057 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.135 -10.817 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.275 -11.358 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.204 -11.452 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.814 -10.714 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.355 -9.763 -3.937 1.00 0.00 H new ATOM 1267 N GLY A 80 -2.373 -7.983 0.313 1.00 0.00 N ATOM 1268 CA GLY A 80 -2.283 -7.559 1.693 1.00 0.00 C ATOM 1269 C GLY A 80 -0.975 -6.865 1.997 1.00 0.00 C ATOM 1270 O GLY A 80 0.072 -7.235 1.462 1.00 0.00 O ATOM 0 H GLY A 80 -1.489 -7.979 -0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.110 -6.885 1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.392 -8.426 2.345 1.00 0.00 H new ATOM 1274 N PHE A 81 -1.037 -5.850 2.846 1.00 0.00 N ATOM 1275 CA PHE A 81 0.152 -5.122 3.262 1.00 0.00 C ATOM 1276 C PHE A 81 0.350 -5.265 4.764 1.00 0.00 C ATOM 1277 O PHE A 81 -0.573 -5.030 5.543 1.00 0.00 O ATOM 1278 CB PHE A 81 0.037 -3.639 2.888 1.00 0.00 C ATOM 1279 CG PHE A 81 1.194 -2.803 3.364 1.00 0.00 C ATOM 1280 CD1 PHE A 81 2.389 -2.788 2.667 1.00 0.00 C ATOM 1281 CD2 PHE A 81 1.085 -2.038 4.516 1.00 0.00 C ATOM 1282 CE1 PHE A 81 3.454 -2.025 3.107 1.00 0.00 C ATOM 1283 CE2 PHE A 81 2.146 -1.273 4.959 1.00 0.00 C ATOM 1284 CZ PHE A 81 3.333 -1.268 4.255 1.00 0.00 C ATOM 0 H PHE A 81 -1.904 -5.510 3.262 1.00 0.00 H new ATOM 0 HA PHE A 81 1.014 -5.543 2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.041 -3.552 1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.886 -3.238 3.307 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.491 -3.379 1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.160 -2.041 5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.381 -2.021 2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.047 -0.679 5.856 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.165 -0.673 4.601 1.00 0.00 H new ATOM 1294 N VAL A 82 1.548 -5.659 5.160 1.00 0.00 N ATOM 1295 CA VAL A 82 1.871 -5.825 6.566 1.00 0.00 C ATOM 1296 C VAL A 82 3.187 -5.135 6.888 1.00 0.00 C ATOM 1297 O VAL A 82 4.246 -5.548 6.412 1.00 0.00 O ATOM 1298 CB VAL A 82 1.972 -7.317 6.962 1.00 0.00 C ATOM 1299 CG1 VAL A 82 2.276 -7.464 8.446 1.00 0.00 C ATOM 1300 CG2 VAL A 82 0.696 -8.066 6.604 1.00 0.00 C ATOM 0 H VAL A 82 2.317 -5.871 4.524 1.00 0.00 H new ATOM 0 HA VAL A 82 1.061 -5.372 7.138 1.00 0.00 H new ATOM 0 HB VAL A 82 2.794 -7.756 6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.342 -8.522 8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.224 -6.976 8.673 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.480 -7.000 9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.795 -9.112 6.893 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.147 -7.621 7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.526 -8.001 5.529 1.00 0.00 H new ATOM 1310 N SER A 83 3.118 -4.065 7.666 1.00 0.00 N ATOM 1311 CA SER A 83 4.314 -3.388 8.135 1.00 0.00 C ATOM 1312 C SER A 83 5.167 -4.352 8.956 1.00 0.00 C ATOM 1313 O SER A 83 4.640 -5.209 9.666 1.00 0.00 O ATOM 1314 CB SER A 83 3.934 -2.169 8.975 1.00 0.00 C ATOM 1315 OG SER A 83 3.165 -1.249 8.218 1.00 0.00 O ATOM 0 H SER A 83 2.244 -3.648 7.985 1.00 0.00 H new ATOM 0 HA SER A 83 4.892 -3.050 7.275 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.368 -2.488 9.850 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.837 -1.679 9.341 1.00 0.00 H new ATOM 0 HG SER A 83 3.587 -0.365 8.251 1.00 0.00 H new ATOM 1321 N ARG A 84 6.484 -4.220 8.854 1.00 0.00 N ATOM 1322 CA ARG A 84 7.383 -5.118 9.568 1.00 0.00 C ATOM 1323 C ARG A 84 7.423 -4.777 11.056 1.00 0.00 C ATOM 1324 O ARG A 84 8.023 -5.496 11.855 1.00 0.00 O ATOM 1325 CB ARG A 84 8.783 -5.108 8.942 1.00 0.00 C ATOM 1326 CG ARG A 84 9.412 -3.733 8.800 1.00 0.00 C ATOM 1327 CD ARG A 84 10.652 -3.798 7.920 1.00 0.00 C ATOM 1328 NE ARG A 84 11.320 -2.504 7.796 1.00 0.00 N ATOM 1329 CZ ARG A 84 11.698 -1.964 6.636 1.00 0.00 C ATOM 1330 NH1 ARG A 84 11.424 -2.568 5.485 1.00 0.00 N ATOM 1331 NH2 ARG A 84 12.341 -0.807 6.630 1.00 0.00 N ATOM 0 H ARG A 84 6.949 -3.508 8.291 1.00 0.00 H new ATOM 0 HA ARG A 84 6.996 -6.133 9.476 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.440 -5.731 9.549 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.727 -5.569 7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.690 -3.040 8.369 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.678 -3.346 9.784 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.350 -4.525 8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.372 -4.155 6.929 1.00 0.00 H new ATOM 0 HE ARG A 84 11.509 -1.980 8.651 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.919 -3.454 5.482 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.718 -2.145 4.605 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.545 -0.333 7.510 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.632 -0.390 5.746 1.00 0.00 H new ATOM 1345 N THR A 85 6.770 -3.680 11.414 1.00 0.00 N ATOM 1346 CA THR A 85 6.539 -3.339 12.804 1.00 0.00 C ATOM 1347 C THR A 85 5.135 -3.799 13.209 1.00 0.00 C ATOM 1348 O THR A 85 4.138 -3.309 12.678 1.00 0.00 O ATOM 1349 CB THR A 85 6.677 -1.822 13.034 1.00 0.00 C ATOM 1350 OG1 THR A 85 7.943 -1.367 12.538 1.00 0.00 O ATOM 1351 CG2 THR A 85 6.561 -1.481 14.514 1.00 0.00 C ATOM 0 H THR A 85 6.388 -3.006 10.750 1.00 0.00 H new ATOM 0 HA THR A 85 7.288 -3.843 13.415 1.00 0.00 H new ATOM 0 HB THR A 85 5.870 -1.323 12.498 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.024 -0.402 12.685 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.662 -0.404 14.648 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.589 -1.804 14.887 1.00 0.00 H new ATOM 0 HG23 THR A 85 7.349 -1.991 15.068 1.00 0.00 H new ATOM 1359 N PRO A 86 5.041 -4.768 14.132 1.00 0.00 N ATOM 1360 CA PRO A 86 3.763 -5.366 14.528 1.00 0.00 C ATOM 1361 C PRO A 86 2.845 -4.392 15.263 1.00 0.00 C ATOM 1362 O PRO A 86 3.280 -3.646 16.145 1.00 0.00 O ATOM 1363 CB PRO A 86 4.169 -6.518 15.462 1.00 0.00 C ATOM 1364 CG PRO A 86 5.635 -6.704 15.258 1.00 0.00 C ATOM 1365 CD PRO A 86 6.169 -5.361 14.862 1.00 0.00 C ATOM 0 HA PRO A 86 3.192 -5.682 13.655 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.946 -6.277 16.501 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.621 -7.429 15.221 1.00 0.00 H new ATOM 0 HG2 PRO A 86 6.114 -7.061 16.170 1.00 0.00 H new ATOM 0 HG3 PRO A 86 5.830 -7.446 14.484 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.448 -4.764 15.730 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.057 -5.447 14.235 1.00 0.00 H new ATOM 1373 N ASP A 87 1.571 -4.403 14.886 1.00 0.00 N ATOM 1374 CA ASP A 87 0.557 -3.617 15.578 1.00 0.00 C ATOM 1375 C ASP A 87 0.247 -4.253 16.934 1.00 0.00 C ATOM 1376 O ASP A 87 0.390 -5.465 17.105 1.00 0.00 O ATOM 1377 CB ASP A 87 -0.708 -3.509 14.718 1.00 0.00 C ATOM 1378 CG ASP A 87 -1.855 -2.819 15.431 1.00 0.00 C ATOM 1379 OD1 ASP A 87 -1.690 -1.657 15.860 1.00 0.00 O ATOM 1380 OD2 ASP A 87 -2.922 -3.445 15.576 1.00 0.00 O ATOM 0 H ASP A 87 1.215 -4.950 14.102 1.00 0.00 H new ATOM 0 HA ASP A 87 0.935 -2.609 15.748 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.474 -2.962 13.805 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.023 -4.509 14.418 1.00 0.00 H new ATOM 1385 N ASN A 88 -0.180 -3.439 17.886 1.00 0.00 N ATOM 1386 CA ASN A 88 -0.300 -3.872 19.278 1.00 0.00 C ATOM 1387 C ASN A 88 -1.721 -4.354 19.598 1.00 0.00 C ATOM 1388 O ASN A 88 -2.221 -4.164 20.707 1.00 0.00 O ATOM 1389 CB ASN A 88 0.086 -2.711 20.199 1.00 0.00 C ATOM 1390 CG ASN A 88 0.323 -3.135 21.637 1.00 0.00 C ATOM 1391 OD1 ASN A 88 0.811 -4.233 21.910 1.00 0.00 O ATOM 1392 ND2 ASN A 88 -0.023 -2.261 22.569 1.00 0.00 N ATOM 0 H ASN A 88 -0.452 -2.469 17.724 1.00 0.00 H new ATOM 0 HA ASN A 88 0.373 -4.714 19.439 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.989 -2.237 19.814 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.704 -1.960 20.175 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.112 -2.486 23.555 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.424 -1.362 22.302 1.00 0.00 H new ATOM 1399 N GLU A 89 -2.364 -4.990 18.632 1.00 0.00 N ATOM 1400 CA GLU A 89 -3.703 -5.524 18.843 1.00 0.00 C ATOM 1401 C GLU A 89 -3.677 -7.047 18.892 1.00 0.00 C ATOM 1402 O GLU A 89 -3.908 -7.649 19.942 1.00 0.00 O ATOM 1403 CB GLU A 89 -4.657 -5.039 17.745 1.00 0.00 C ATOM 1404 CG GLU A 89 -6.040 -5.677 17.789 1.00 0.00 C ATOM 1405 CD GLU A 89 -6.773 -5.419 19.089 1.00 0.00 C ATOM 1406 OE1 GLU A 89 -7.282 -4.296 19.273 1.00 0.00 O ATOM 1407 OE2 GLU A 89 -6.863 -6.346 19.921 1.00 0.00 O ATOM 0 H GLU A 89 -1.985 -5.149 17.699 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.067 -5.157 19.803 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.766 -3.958 17.826 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -4.207 -5.242 16.773 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.636 -5.295 16.961 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.942 -6.753 17.641 1.00 0.00 H new ATOM 1414 N LEU A 90 -3.386 -7.660 17.759 1.00 0.00 N ATOM 1415 CA LEU A 90 -3.394 -9.112 17.649 1.00 0.00 C ATOM 1416 C LEU A 90 -2.276 -9.726 18.483 1.00 0.00 C ATOM 1417 O LEU A 90 -1.116 -9.321 18.380 1.00 0.00 O ATOM 1418 CB LEU A 90 -3.253 -9.536 16.185 1.00 0.00 C ATOM 1419 CG LEU A 90 -4.367 -9.051 15.254 1.00 0.00 C ATOM 1420 CD1 LEU A 90 -4.095 -9.491 13.826 1.00 0.00 C ATOM 1421 CD2 LEU A 90 -5.718 -9.566 15.723 1.00 0.00 C ATOM 0 H LEU A 90 -3.140 -7.174 16.897 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.348 -9.476 18.032 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.300 -9.167 15.807 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.213 -10.624 16.141 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.388 -7.962 15.281 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.897 -9.138 13.177 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.146 -9.072 13.491 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.047 -10.579 13.783 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.497 -9.211 15.048 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.711 -10.656 15.727 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.917 -9.201 16.731 1.00 0.00 H new ATOM 1433 N GLU A 91 -2.631 -10.701 19.305 1.00 0.00 N ATOM 1434 CA GLU A 91 -1.669 -11.358 20.171 1.00 0.00 C ATOM 1435 C GLU A 91 -0.914 -12.431 19.402 1.00 0.00 C ATOM 1436 O GLU A 91 -1.513 -13.348 18.838 1.00 0.00 O ATOM 1437 CB GLU A 91 -2.377 -11.962 21.386 1.00 0.00 C ATOM 1438 CG GLU A 91 -1.461 -12.773 22.288 1.00 0.00 C ATOM 1439 CD GLU A 91 -2.165 -13.266 23.533 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -2.895 -14.278 23.454 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -1.993 -12.644 24.599 1.00 0.00 O ATOM 0 H GLU A 91 -3.584 -11.055 19.390 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.950 -10.618 20.523 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.828 -11.159 21.969 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.190 -12.600 21.041 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.071 -13.626 21.733 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.605 -12.162 22.576 1.00 0.00 H new ATOM 1448 N HIS A 92 0.402 -12.304 19.368 1.00 0.00 N ATOM 1449 CA HIS A 92 1.242 -13.270 18.679 1.00 0.00 C ATOM 1450 C HIS A 92 2.238 -13.879 19.647 1.00 0.00 C ATOM 1451 O HIS A 92 2.835 -13.173 20.459 1.00 0.00 O ATOM 1452 CB HIS A 92 1.991 -12.620 17.513 1.00 0.00 C ATOM 1453 CG HIS A 92 1.104 -12.163 16.397 1.00 0.00 C ATOM 1454 ND1 HIS A 92 0.681 -10.861 16.261 1.00 0.00 N ATOM 1455 CD2 HIS A 92 0.575 -12.837 15.348 1.00 0.00 C ATOM 1456 CE1 HIS A 92 -0.069 -10.752 15.181 1.00 0.00 C ATOM 1457 NE2 HIS A 92 -0.150 -11.936 14.608 1.00 0.00 N ATOM 0 H HIS A 92 0.913 -11.540 19.810 1.00 0.00 H new ATOM 0 HA HIS A 92 0.596 -14.052 18.280 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.555 -11.766 17.888 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.716 -13.332 17.119 1.00 0.00 H new ATOM 0 HD2 HIS A 92 0.700 -13.888 15.133 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -0.537 -9.846 14.826 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -0.667 -12.148 13.755 1.00 0.00 H new ATOM 1466 N HIS A 93 2.409 -15.188 19.562 1.00 0.00 N ATOM 1467 CA HIS A 93 3.358 -15.893 20.409 1.00 0.00 C ATOM 1468 C HIS A 93 4.784 -15.538 19.998 1.00 0.00 C ATOM 1469 O HIS A 93 5.706 -15.568 20.812 1.00 0.00 O ATOM 1470 CB HIS A 93 3.132 -17.406 20.311 1.00 0.00 C ATOM 1471 CG HIS A 93 3.904 -18.204 21.319 1.00 0.00 C ATOM 1472 ND1 HIS A 93 3.456 -18.424 22.600 1.00 0.00 N ATOM 1473 CD2 HIS A 93 5.091 -18.847 21.223 1.00 0.00 C ATOM 1474 CE1 HIS A 93 4.332 -19.165 23.250 1.00 0.00 C ATOM 1475 NE2 HIS A 93 5.336 -19.441 22.437 1.00 0.00 N ATOM 0 H HIS A 93 1.900 -15.787 18.912 1.00 0.00 H new ATOM 0 HA HIS A 93 3.206 -15.588 21.444 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.069 -17.613 20.436 1.00 0.00 H new ATOM 0 HB3 HIS A 93 3.407 -17.740 19.311 1.00 0.00 H new ATOM 0 HD2 HIS A 93 5.728 -18.886 20.352 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.243 -19.492 24.276 1.00 0.00 H new ATOM 0 HE2 HIS A 93 6.156 -20.001 22.671 1.00 0.00 H new ATOM 1484 N HIS A 94 4.949 -15.202 18.728 1.00 0.00 N ATOM 1485 CA HIS A 94 6.237 -14.787 18.202 1.00 0.00 C ATOM 1486 C HIS A 94 6.142 -13.336 17.743 1.00 0.00 C ATOM 1487 O HIS A 94 5.350 -13.004 16.862 1.00 0.00 O ATOM 1488 CB HIS A 94 6.644 -15.698 17.041 1.00 0.00 C ATOM 1489 CG HIS A 94 8.123 -15.798 16.834 1.00 0.00 C ATOM 1490 ND1 HIS A 94 8.757 -15.377 15.688 1.00 0.00 N ATOM 1491 CD2 HIS A 94 9.091 -16.313 17.627 1.00 0.00 C ATOM 1492 CE1 HIS A 94 10.049 -15.630 15.782 1.00 0.00 C ATOM 1493 NE2 HIS A 94 10.279 -16.198 16.950 1.00 0.00 N ATOM 0 H HIS A 94 4.198 -15.210 18.038 1.00 0.00 H new ATOM 0 HA HIS A 94 6.998 -14.866 18.978 1.00 0.00 H new ATOM 0 HB2 HIS A 94 6.244 -16.696 17.219 1.00 0.00 H new ATOM 0 HB3 HIS A 94 6.184 -15.329 16.125 1.00 0.00 H new ATOM 0 HD2 HIS A 94 8.954 -16.736 18.611 1.00 0.00 H new ATOM 0 HE1 HIS A 94 10.792 -15.409 15.030 1.00 0.00 H new ATOM 0 HE2 HIS A 94 11.190 -16.502 17.294 1.00 0.00 H new ATOM 1502 N HIS A 95 6.933 -12.471 18.356 1.00 0.00 N ATOM 1503 CA HIS A 95 6.848 -11.038 18.091 1.00 0.00 C ATOM 1504 C HIS A 95 7.941 -10.595 17.128 1.00 0.00 C ATOM 1505 O HIS A 95 7.694 -9.808 16.213 1.00 0.00 O ATOM 1506 CB HIS A 95 6.963 -10.242 19.394 1.00 0.00 C ATOM 1507 CG HIS A 95 5.858 -10.509 20.370 1.00 0.00 C ATOM 1508 ND1 HIS A 95 6.026 -11.269 21.508 1.00 0.00 N ATOM 1509 CD2 HIS A 95 4.567 -10.103 20.379 1.00 0.00 C ATOM 1510 CE1 HIS A 95 4.886 -11.319 22.172 1.00 0.00 C ATOM 1511 NE2 HIS A 95 3.985 -10.618 21.509 1.00 0.00 N ATOM 0 H HIS A 95 7.642 -12.733 19.041 1.00 0.00 H new ATOM 0 HA HIS A 95 5.877 -10.843 17.635 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.917 -10.475 19.868 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.976 -9.178 19.158 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.084 -9.487 19.634 1.00 0.00 H new ATOM 0 HE1 HIS A 95 4.719 -11.845 23.101 1.00 0.00 H new ATOM 0 HE2 HIS A 95 3.014 -10.482 21.791 1.00 0.00 H new ATOM 1520 N HIS A 96 9.143 -11.110 17.336 1.00 0.00 N ATOM 1521 CA HIS A 96 10.286 -10.732 16.517 1.00 0.00 C ATOM 1522 C HIS A 96 10.253 -11.510 15.208 1.00 0.00 C ATOM 1523 O HIS A 96 9.851 -12.669 15.183 1.00 0.00 O ATOM 1524 CB HIS A 96 11.585 -11.000 17.281 1.00 0.00 C ATOM 1525 CG HIS A 96 12.768 -10.241 16.763 1.00 0.00 C ATOM 1526 ND1 HIS A 96 12.986 -8.911 17.046 1.00 0.00 N ATOM 1527 CD2 HIS A 96 13.808 -10.633 15.993 1.00 0.00 C ATOM 1528 CE1 HIS A 96 14.107 -8.519 16.474 1.00 0.00 C ATOM 1529 NE2 HIS A 96 14.629 -9.544 15.830 1.00 0.00 N ATOM 0 H HIS A 96 9.353 -11.791 18.065 1.00 0.00 H new ATOM 0 HA HIS A 96 10.239 -9.667 16.289 1.00 0.00 H new ATOM 0 HB2 HIS A 96 11.435 -10.746 18.330 1.00 0.00 H new ATOM 0 HB3 HIS A 96 11.805 -12.067 17.239 1.00 0.00 H new ATOM 0 HD2 HIS A 96 13.964 -11.620 15.582 1.00 0.00 H new ATOM 0 HE1 HIS A 96 14.527 -7.525 16.524 1.00 0.00 H new ATOM 0 HE2 HIS A 96 15.499 -9.531 15.298 1.00 0.00 H new ATOM 1538 N HIS A 97 10.654 -10.871 14.120 1.00 0.00 N ATOM 1539 CA HIS A 97 10.565 -11.492 12.804 1.00 0.00 C ATOM 1540 C HIS A 97 11.943 -11.655 12.190 1.00 0.00 C ATOM 1541 O HIS A 97 12.541 -10.637 11.791 1.00 0.00 O ATOM 1542 CB HIS A 97 9.667 -10.669 11.878 1.00 0.00 C ATOM 1543 CG HIS A 97 8.262 -10.543 12.375 1.00 0.00 C ATOM 1544 ND1 HIS A 97 7.323 -11.538 12.232 1.00 0.00 N ATOM 1545 CD2 HIS A 97 7.649 -9.544 13.048 1.00 0.00 C ATOM 1546 CE1 HIS A 97 6.193 -11.160 12.793 1.00 0.00 C ATOM 1547 NE2 HIS A 97 6.360 -9.950 13.300 1.00 0.00 N ATOM 1548 OXT HIS A 97 12.424 -12.802 12.108 1.00 0.00 O ATOM 0 H HIS A 97 11.042 -9.928 14.120 1.00 0.00 H new ATOM 0 HA HIS A 97 10.124 -12.481 12.928 1.00 0.00 H new ATOM 0 HB2 HIS A 97 10.094 -9.673 11.760 1.00 0.00 H new ATOM 0 HB3 HIS A 97 9.656 -11.130 10.890 1.00 0.00 H new ATOM 0 HD1 HIS A 97 7.478 -12.431 11.764 1.00 0.00 H new ATOM 0 HD2 HIS A 97 8.090 -8.601 13.335 1.00 0.00 H new ATOM 0 HE1 HIS A 97 5.283 -11.740 12.832 1.00 0.00 H new TER 1557 HIS A 97