USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 608 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 16 THR OG1 : rot 16:sc= -0.87 USER MOD Set 1.2: A 20 HIS : no HD1:sc= -2.4! C(o=-3.3!,f=-6.1!) USER MOD Set 1.3: A 67 ASN :FLIP amide:sc= 0 F(o=-4.7,f=-3.3) USER MOD Set 2.1: A 8 ASN : amide:sc= 0.364 K(o=-0.46,f=-6.8!) USER MOD Set 2.2: A 45 ASN : amide:sc= -0.819 K(o=-0.46,f=-6.2!) USER MOD Set 3.1: A 23 GLN : amide:sc= 1.05 K(o=-4,f=-14!) USER MOD Set 3.2: A 28 GLN : amide:sc= 0.671 K(o=-4,f=-5) USER MOD Set 3.3: A 33 HIS :FLIP no HD1:sc= -5.7! C(o=-7.2!,f=-4!) USER MOD Set 4.1: A 24 HIS :FLIP no HD1:sc= -0.237 F(o=-3.1,f=-2.5) USER MOD Set 4.2: A 49 ASN :FLIP amide:sc= -2.25! C(o=-4.7!,f=-2.5!) USER MOD Set 5.1: A -1 GLN :FLIP amide:sc= -3.65! C(o=-8.2!,f=-7.6!) USER MOD Set 5.2: A -3 THR OG1 : rot 180:sc= 0.118 USER MOD Set 5.3: A 12 ASN : amide:sc= -4.08! C(o=-7.6!,f=-14!) USER MOD Single : A 3 LYS NZ :NH3+ -139:sc= 1.17 (180deg=0.207) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 9 TYR OH : rot 19:sc= 1.25 USER MOD Single : A -2 TYR OH : rot 180:sc= 0 USER MOD Single : A -3 THR N :NH3+ 139:sc= 0.403 (180deg=0.0259) USER MOD Single : A 18 SER OG : rot 121:sc= 1.32 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS :FLIP no HD1:sc= 0.113 F(o=-1.4!,f=0.11) USER MOD Single : A 32 THR OG1 : rot 55:sc= 0.0394 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.696 K(o=0.7,f=-0.68) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0757 USER MOD Single : A 44 LYS NZ :NH3+ -174:sc= 0.611 (180deg=0.586) USER MOD Single : A 50 TYR OH : rot 98:sc= 1.18 USER MOD Single : A 53 ASN : amide:sc= 2.61 K(o=2.6,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= 1.25 (180deg=0.689) USER MOD Single : A 64 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-2.8!) USER MOD Single : A 65 THR OG1 : rot -96:sc= 0.776 USER MOD Single : A 66 THR OG1 : rot 149:sc= -1.82! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.415 USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0321) USER MOD Single : A 79 SER OG : rot -4:sc= 0.755 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0414 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -3 13.770 23.002 -27.195 1.00 0.00 N ATOM 2 CA THR A -3 12.921 24.120 -27.649 1.00 0.00 C ATOM 3 C THR A -3 13.077 25.303 -26.692 1.00 0.00 C ATOM 4 O THR A -3 13.690 25.165 -25.633 1.00 0.00 O ATOM 5 CB THR A -3 11.454 23.667 -27.713 1.00 0.00 C ATOM 6 OG1 THR A -3 11.402 22.299 -28.140 1.00 0.00 O ATOM 7 CG2 THR A -3 10.661 24.521 -28.691 1.00 0.00 C ATOM 0 H1 THR A -3 13.252 22.107 -27.304 1.00 0.00 H new ATOM 0 H2 THR A -3 14.639 22.971 -27.766 1.00 0.00 H new ATOM 0 H3 THR A -3 14.018 23.139 -26.194 1.00 0.00 H new ATOM 0 HA THR A -3 13.231 24.432 -28.646 1.00 0.00 H new ATOM 0 HB THR A -3 11.016 23.775 -26.721 1.00 0.00 H new ATOM 0 HG1 THR A -3 10.468 22.004 -28.181 1.00 0.00 H new ATOM 0 HG21 THR A -3 9.626 24.179 -28.717 1.00 0.00 H new ATOM 0 HG22 THR A -3 10.691 25.563 -28.372 1.00 0.00 H new ATOM 0 HG23 THR A -3 11.097 24.434 -29.686 1.00 0.00 H new ATOM 17 N TYR A -2 12.520 26.458 -27.059 1.00 0.00 N ATOM 18 CA TYR A -2 12.763 27.700 -26.327 1.00 0.00 C ATOM 19 C TYR A -2 11.909 27.801 -25.062 1.00 0.00 C ATOM 20 O TYR A -2 11.788 28.876 -24.466 1.00 0.00 O ATOM 21 CB TYR A -2 12.522 28.915 -27.236 1.00 0.00 C ATOM 22 CG TYR A -2 11.087 29.101 -27.695 1.00 0.00 C ATOM 23 CD1 TYR A -2 10.617 28.505 -28.861 1.00 0.00 C ATOM 24 CD2 TYR A -2 10.207 29.890 -26.964 1.00 0.00 C ATOM 25 CE1 TYR A -2 9.311 28.694 -29.281 1.00 0.00 C ATOM 26 CE2 TYR A -2 8.904 30.079 -27.375 1.00 0.00 C ATOM 27 CZ TYR A -2 8.460 29.480 -28.532 1.00 0.00 C ATOM 28 OH TYR A -2 7.159 29.678 -28.944 1.00 0.00 O ATOM 0 H TYR A -2 11.897 26.558 -27.860 1.00 0.00 H new ATOM 0 HA TYR A -2 13.807 27.691 -26.013 1.00 0.00 H new ATOM 0 HB2 TYR A -2 12.837 29.814 -26.706 1.00 0.00 H new ATOM 0 HB3 TYR A -2 13.159 28.823 -28.115 1.00 0.00 H new ATOM 0 HD1 TYR A -2 11.280 27.886 -29.447 1.00 0.00 H new ATOM 0 HD2 TYR A -2 10.550 30.364 -26.056 1.00 0.00 H new ATOM 0 HE1 TYR A -2 8.961 28.228 -30.190 1.00 0.00 H new ATOM 0 HE2 TYR A -2 8.235 30.694 -26.792 1.00 0.00 H new ATOM 0 HH TYR A -2 6.697 30.256 -28.301 1.00 0.00 H new ATOM 38 N GLN A -1 11.317 26.687 -24.653 1.00 0.00 N ATOM 39 CA GLN A -1 10.548 26.649 -23.424 1.00 0.00 C ATOM 40 C GLN A -1 11.481 26.509 -22.233 1.00 0.00 C ATOM 41 O GLN A -1 12.701 26.433 -22.382 1.00 0.00 O ATOM 42 CB GLN A -1 9.572 25.471 -23.431 1.00 0.00 C ATOM 43 CG GLN A -1 10.267 24.126 -23.306 1.00 0.00 C ATOM 44 CD GLN A -1 10.192 23.288 -24.565 1.00 0.00 C ATOM 45 OE1 GLN A -1 9.087 23.388 -25.286 1.00 0.00 O flip ATOM 46 NE2 GLN A -1 11.117 22.538 -24.875 1.00 0.00 N flip ATOM 0 H GLN A -1 11.356 25.800 -25.156 1.00 0.00 H new ATOM 0 HA GLN A -1 9.985 27.579 -23.348 1.00 0.00 H new ATOM 0 HB2 GLN A -1 8.865 25.587 -22.609 1.00 0.00 H new ATOM 0 HB3 GLN A -1 8.993 25.491 -24.355 1.00 0.00 H new ATOM 0 HG2 GLN A -1 11.314 24.289 -23.050 1.00 0.00 H new ATOM 0 HG3 GLN A -1 9.820 23.570 -22.482 1.00 0.00 H new ATOM 0 HE21 GLN A -1 11.952 22.490 -24.292 1.00 0.00 H new ATOM 0 HE22 GLN A -1 11.048 21.964 -25.715 1.00 0.00 H new ATOM 55 N CYS A 1 10.897 26.454 -21.057 1.00 0.00 N ATOM 56 CA CYS A 1 11.665 26.262 -19.835 1.00 0.00 C ATOM 57 C CYS A 1 10.773 25.781 -18.698 1.00 0.00 C ATOM 58 O CYS A 1 9.569 25.593 -18.877 1.00 0.00 O ATOM 59 CB CYS A 1 12.415 27.542 -19.444 1.00 0.00 C ATOM 60 SG CYS A 1 11.385 29.037 -19.305 1.00 0.00 S ATOM 0 H CYS A 1 9.891 26.539 -20.915 1.00 0.00 H new ATOM 0 HA CYS A 1 12.408 25.488 -20.028 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.913 27.374 -18.489 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.195 27.726 -20.182 1.00 0.00 H new ATOM 65 N LEU A 2 11.375 25.542 -17.544 1.00 0.00 N ATOM 66 CA LEU A 2 10.648 25.035 -16.385 1.00 0.00 C ATOM 67 C LEU A 2 10.088 26.157 -15.511 1.00 0.00 C ATOM 68 O LEU A 2 10.508 27.310 -15.605 1.00 0.00 O ATOM 69 CB LEU A 2 11.580 24.142 -15.570 1.00 0.00 C ATOM 70 CG LEU A 2 10.942 23.363 -14.431 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.740 22.594 -14.944 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.961 22.417 -13.811 1.00 0.00 C ATOM 0 H LEU A 2 12.371 25.691 -17.382 1.00 0.00 H new ATOM 0 HA LEU A 2 9.792 24.463 -16.744 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.052 23.431 -16.248 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.374 24.764 -15.156 1.00 0.00 H new ATOM 0 HG LEU A 2 10.607 24.059 -13.662 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.287 22.038 -14.124 1.00 0.00 H new ATOM 0 HD12 LEU A 2 9.011 23.291 -15.356 1.00 0.00 H new ATOM 0 HD13 LEU A 2 10.057 21.899 -15.722 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.495 21.863 -12.996 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.316 21.718 -14.568 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.803 22.992 -13.424 1.00 0.00 H new ATOM 84 N LYS A 3 9.130 25.790 -14.667 1.00 0.00 N ATOM 85 CA LYS A 3 8.519 26.705 -13.710 1.00 0.00 C ATOM 86 C LYS A 3 8.790 26.212 -12.291 1.00 0.00 C ATOM 87 O LYS A 3 7.877 26.090 -11.476 1.00 0.00 O ATOM 88 CB LYS A 3 7.003 26.793 -13.950 1.00 0.00 C ATOM 89 CG LYS A 3 6.309 25.440 -13.845 1.00 0.00 C ATOM 90 CD LYS A 3 4.794 25.515 -13.983 1.00 0.00 C ATOM 91 CE LYS A 3 4.163 26.337 -12.866 1.00 0.00 C ATOM 92 NZ LYS A 3 2.671 26.287 -12.891 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.753 24.843 -14.627 1.00 0.00 H new ATOM 0 HA LYS A 3 8.952 27.697 -13.840 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.564 27.479 -13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.820 27.214 -14.938 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.703 24.779 -14.617 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.555 24.989 -12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.538 25.955 -14.947 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.378 24.508 -13.972 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.519 25.970 -11.904 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.490 27.373 -12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.289 27.233 -12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.350 25.976 -13.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.334 25.617 -12.171 1.00 0.00 H new ATOM 106 N GLY A 4 10.048 25.910 -12.007 1.00 0.00 N ATOM 107 CA GLY A 4 10.406 25.360 -10.711 1.00 0.00 C ATOM 108 C GLY A 4 9.930 23.929 -10.541 1.00 0.00 C ATOM 109 O GLY A 4 10.646 22.984 -10.877 1.00 0.00 O ATOM 0 H GLY A 4 10.830 26.035 -12.650 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.489 25.397 -10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.975 25.980 -9.924 1.00 0.00 H new ATOM 113 N THR A 5 8.712 23.769 -10.040 1.00 0.00 N ATOM 114 CA THR A 5 8.124 22.448 -9.850 1.00 0.00 C ATOM 115 C THR A 5 7.591 21.899 -11.166 1.00 0.00 C ATOM 116 O THR A 5 7.465 20.689 -11.323 1.00 0.00 O ATOM 117 CB THR A 5 6.980 22.496 -8.823 1.00 0.00 C ATOM 118 OG1 THR A 5 6.154 23.648 -9.064 1.00 0.00 O ATOM 119 CG2 THR A 5 7.521 22.528 -7.404 1.00 0.00 C ATOM 0 H THR A 5 8.109 24.541 -9.756 1.00 0.00 H new ATOM 0 HA THR A 5 8.911 21.792 -9.478 1.00 0.00 H new ATOM 0 HB THR A 5 6.380 21.593 -8.936 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.426 23.672 -8.408 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.691 22.562 -6.699 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.116 21.633 -7.221 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.145 23.412 -7.272 1.00 0.00 H new ATOM 127 N GLY A 6 7.296 22.793 -12.105 1.00 0.00 N ATOM 128 CA GLY A 6 6.867 22.382 -13.433 1.00 0.00 C ATOM 129 C GLY A 6 5.720 21.408 -13.421 1.00 0.00 C ATOM 130 O GLY A 6 5.869 20.258 -13.832 1.00 0.00 O ATOM 0 H GLY A 6 7.347 23.803 -11.969 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.577 23.265 -14.001 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.711 21.930 -13.955 1.00 0.00 H new ATOM 134 N GLU A 7 4.577 21.878 -12.967 1.00 0.00 N ATOM 135 CA GLU A 7 3.377 21.065 -12.941 1.00 0.00 C ATOM 136 C GLU A 7 2.889 20.876 -14.356 1.00 0.00 C ATOM 137 O GLU A 7 2.947 19.790 -14.927 1.00 0.00 O ATOM 138 CB GLU A 7 2.296 21.772 -12.138 1.00 0.00 C ATOM 139 CG GLU A 7 2.797 22.370 -10.842 1.00 0.00 C ATOM 140 CD GLU A 7 1.844 23.406 -10.306 1.00 0.00 C ATOM 141 OE1 GLU A 7 1.662 24.445 -10.981 1.00 0.00 O ATOM 142 OE2 GLU A 7 1.269 23.184 -9.220 1.00 0.00 O1- ATOM 0 H GLU A 7 4.453 22.825 -12.609 1.00 0.00 H new ATOM 0 HA GLU A 7 3.598 20.101 -12.483 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.860 22.563 -12.749 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.498 21.064 -11.917 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.930 21.580 -10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.775 22.823 -11.004 1.00 0.00 H new ATOM 149 N ASN A 8 2.426 21.973 -14.905 1.00 0.00 N ATOM 150 CA ASN A 8 1.962 22.026 -16.267 1.00 0.00 C ATOM 151 C ASN A 8 2.643 23.175 -17.000 1.00 0.00 C ATOM 152 O ASN A 8 2.015 23.857 -17.805 1.00 0.00 O ATOM 153 CB ASN A 8 0.436 22.185 -16.291 1.00 0.00 C ATOM 154 CG ASN A 8 -0.052 23.433 -15.570 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.603 23.951 -14.654 1.00 0.00 O ATOM 156 ND2 ASN A 8 -1.222 23.906 -15.957 1.00 0.00 N ATOM 0 H ASN A 8 2.361 22.863 -14.411 1.00 0.00 H new ATOM 0 HA ASN A 8 2.217 21.096 -16.776 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.098 22.217 -17.327 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.021 21.308 -15.833 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.618 24.726 -15.498 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.730 23.451 -16.715 1.00 0.00 H new ATOM 163 N TYR A 9 3.935 23.383 -16.681 1.00 0.00 N ATOM 164 CA TYR A 9 4.772 24.406 -17.330 1.00 0.00 C ATOM 165 C TYR A 9 4.436 24.569 -18.817 1.00 0.00 C ATOM 166 O TYR A 9 3.826 25.555 -19.216 1.00 0.00 O ATOM 167 CB TYR A 9 6.272 24.082 -17.136 1.00 0.00 C ATOM 168 CG TYR A 9 6.692 22.673 -17.520 1.00 0.00 C ATOM 169 CD1 TYR A 9 6.187 21.564 -16.853 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.602 22.456 -18.546 1.00 0.00 C ATOM 171 CE1 TYR A 9 6.569 20.286 -17.196 1.00 0.00 C ATOM 172 CE2 TYR A 9 7.990 21.177 -18.894 1.00 0.00 C ATOM 173 CZ TYR A 9 7.469 20.098 -18.219 1.00 0.00 C ATOM 174 OH TYR A 9 7.856 18.829 -18.563 1.00 0.00 O ATOM 0 H TYR A 9 4.426 22.846 -15.966 1.00 0.00 H new ATOM 0 HA TYR A 9 4.554 25.359 -16.848 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.857 24.790 -17.723 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.529 24.247 -16.090 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.480 21.707 -16.049 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.013 23.300 -19.080 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.164 19.437 -16.665 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.700 21.025 -19.693 1.00 0.00 H new ATOM 0 HH TYR A 9 7.200 18.184 -18.225 1.00 0.00 H new ATOM 184 N ARG A 10 4.854 23.616 -19.629 1.00 0.00 N ATOM 185 CA ARG A 10 4.420 23.542 -21.001 1.00 0.00 C ATOM 186 C ARG A 10 3.804 22.178 -21.270 1.00 0.00 C ATOM 187 O ARG A 10 2.586 22.041 -21.366 1.00 0.00 O ATOM 188 CB ARG A 10 5.589 23.792 -21.950 1.00 0.00 C ATOM 189 CG ARG A 10 6.018 25.239 -22.023 1.00 0.00 C ATOM 190 CD ARG A 10 7.148 25.557 -21.075 1.00 0.00 C ATOM 191 NE ARG A 10 7.674 26.902 -21.330 1.00 0.00 N ATOM 192 CZ ARG A 10 7.883 27.833 -20.396 1.00 0.00 C ATOM 193 NH1 ARG A 10 7.615 27.582 -19.124 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 8.362 29.018 -20.743 1.00 0.00 N ATOM 0 H ARG A 10 5.501 22.877 -19.353 1.00 0.00 H new ATOM 0 HA ARG A 10 3.670 24.314 -21.175 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.438 23.187 -21.632 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.312 23.454 -22.949 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.327 25.472 -23.042 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.166 25.879 -21.794 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.796 25.487 -20.046 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.944 24.822 -21.190 1.00 0.00 H new ATOM 0 HE ARG A 10 7.897 27.145 -22.295 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.246 26.671 -18.851 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.778 28.299 -18.417 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.570 29.217 -21.721 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.523 29.731 -20.032 1.00 0.00 H new ATOM 208 N GLY A 11 4.650 21.164 -21.333 1.00 0.00 N ATOM 209 CA GLY A 11 4.185 19.826 -21.635 1.00 0.00 C ATOM 210 C GLY A 11 4.835 19.303 -22.889 1.00 0.00 C ATOM 211 O GLY A 11 4.163 18.889 -23.832 1.00 0.00 O ATOM 0 H GLY A 11 5.655 21.243 -21.180 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.408 19.162 -20.800 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.102 19.832 -21.757 1.00 0.00 H new ATOM 215 N ASN A 12 6.154 19.342 -22.897 1.00 0.00 N ATOM 216 CA ASN A 12 6.931 18.989 -24.075 1.00 0.00 C ATOM 217 C ASN A 12 7.706 17.696 -23.866 1.00 0.00 C ATOM 218 O ASN A 12 7.417 16.684 -24.504 1.00 0.00 O ATOM 219 CB ASN A 12 7.881 20.137 -24.436 1.00 0.00 C ATOM 220 CG ASN A 12 8.460 20.820 -23.207 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.409 20.338 -22.600 1.00 0.00 O ATOM 222 ND2 ASN A 12 7.909 21.965 -22.844 1.00 0.00 N ATOM 0 H ASN A 12 6.717 19.618 -22.092 1.00 0.00 H new ATOM 0 HA ASN A 12 6.240 18.824 -24.902 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.694 19.752 -25.051 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.346 20.872 -25.038 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.273 22.473 -22.038 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.120 22.341 -23.370 1.00 0.00 H new ATOM 229 N VAL A 13 8.688 17.731 -22.975 1.00 0.00 N ATOM 230 CA VAL A 13 9.523 16.575 -22.699 1.00 0.00 C ATOM 231 C VAL A 13 8.700 15.384 -22.214 1.00 0.00 C ATOM 232 O VAL A 13 7.903 15.499 -21.281 1.00 0.00 O ATOM 233 CB VAL A 13 10.596 16.933 -21.657 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.383 15.710 -21.235 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.525 17.994 -22.214 1.00 0.00 C ATOM 0 H VAL A 13 8.925 18.558 -22.427 1.00 0.00 H new ATOM 0 HA VAL A 13 10.006 16.287 -23.633 1.00 0.00 H new ATOM 0 HB VAL A 13 10.094 17.326 -20.773 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.133 15.997 -20.498 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.707 14.975 -20.798 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.876 15.277 -22.105 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.282 18.242 -21.470 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.011 17.616 -23.114 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.951 18.888 -22.459 1.00 0.00 H new ATOM 245 N ALA A 14 8.900 14.247 -22.873 1.00 0.00 N ATOM 246 CA ALA A 14 8.198 13.016 -22.537 1.00 0.00 C ATOM 247 C ALA A 14 9.196 11.913 -22.170 1.00 0.00 C ATOM 248 O ALA A 14 8.907 10.716 -22.283 1.00 0.00 O ATOM 249 CB ALA A 14 7.326 12.588 -23.706 1.00 0.00 C ATOM 0 H ALA A 14 9.551 14.154 -23.652 1.00 0.00 H new ATOM 0 HA ALA A 14 7.560 13.194 -21.671 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.802 11.667 -23.451 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.599 13.370 -23.923 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.951 12.419 -24.583 1.00 0.00 H new ATOM 255 N VAL A 15 10.381 12.335 -21.738 1.00 0.00 N ATOM 256 CA VAL A 15 11.455 11.426 -21.355 1.00 0.00 C ATOM 257 C VAL A 15 12.117 11.947 -20.085 1.00 0.00 C ATOM 258 O VAL A 15 12.284 13.155 -19.921 1.00 0.00 O ATOM 259 CB VAL A 15 12.512 11.290 -22.483 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.680 10.419 -22.044 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.880 10.721 -23.745 1.00 0.00 C ATOM 0 H VAL A 15 10.623 13.321 -21.644 1.00 0.00 H new ATOM 0 HA VAL A 15 11.028 10.438 -21.179 1.00 0.00 H new ATOM 0 HB VAL A 15 12.894 12.288 -22.699 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.403 10.343 -22.856 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.159 10.865 -21.172 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.316 9.424 -21.789 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.638 10.634 -24.524 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.464 9.736 -23.531 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.085 11.385 -24.085 1.00 0.00 H new ATOM 271 N THR A 16 12.480 11.035 -19.193 1.00 0.00 N ATOM 272 CA THR A 16 13.049 11.401 -17.899 1.00 0.00 C ATOM 273 C THR A 16 14.388 12.124 -18.050 1.00 0.00 C ATOM 274 O THR A 16 14.902 12.275 -19.160 1.00 0.00 O ATOM 275 CB THR A 16 13.258 10.156 -17.016 1.00 0.00 C ATOM 276 OG1 THR A 16 14.223 9.283 -17.623 1.00 0.00 O ATOM 277 CG2 THR A 16 11.950 9.406 -16.816 1.00 0.00 C ATOM 0 H THR A 16 12.390 10.030 -19.342 1.00 0.00 H new ATOM 0 HA THR A 16 12.335 12.075 -17.426 1.00 0.00 H new ATOM 0 HB THR A 16 13.622 10.486 -16.043 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.718 9.772 -18.314 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.124 8.531 -16.189 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.225 10.061 -16.332 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.562 9.088 -17.783 1.00 0.00 H new ATOM 285 N VAL A 17 14.955 12.568 -16.936 1.00 0.00 N ATOM 286 CA VAL A 17 16.275 13.187 -16.945 1.00 0.00 C ATOM 287 C VAL A 17 17.336 12.162 -17.363 1.00 0.00 C ATOM 288 O VAL A 17 18.380 12.514 -17.917 1.00 0.00 O ATOM 289 CB VAL A 17 16.611 13.812 -15.567 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.598 12.762 -14.471 1.00 0.00 C ATOM 291 CG2 VAL A 17 17.945 14.542 -15.600 1.00 0.00 C ATOM 0 H VAL A 17 14.522 12.511 -16.014 1.00 0.00 H new ATOM 0 HA VAL A 17 16.271 13.996 -17.675 1.00 0.00 H new ATOM 0 HB VAL A 17 15.835 14.544 -15.342 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.837 13.230 -13.516 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.609 12.307 -14.415 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.338 11.994 -14.694 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.151 14.969 -14.618 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.737 13.841 -15.864 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.905 15.340 -16.341 1.00 0.00 H new ATOM 301 N SER A 18 17.046 10.893 -17.112 1.00 0.00 N ATOM 302 CA SER A 18 17.876 9.805 -17.600 1.00 0.00 C ATOM 303 C SER A 18 17.255 9.238 -18.880 1.00 0.00 C ATOM 304 O SER A 18 16.288 9.795 -19.403 1.00 0.00 O ATOM 305 CB SER A 18 17.983 8.711 -16.538 1.00 0.00 C ATOM 306 OG SER A 18 18.270 9.256 -15.261 1.00 0.00 O ATOM 0 H SER A 18 16.236 10.592 -16.569 1.00 0.00 H new ATOM 0 HA SER A 18 18.878 10.177 -17.815 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.049 8.151 -16.495 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.765 8.005 -16.818 1.00 0.00 H new ATOM 0 HG SER A 18 17.556 9.015 -14.635 1.00 0.00 H new ATOM 312 N GLY A 19 17.783 8.124 -19.368 1.00 0.00 N ATOM 313 CA GLY A 19 17.285 7.541 -20.604 1.00 0.00 C ATOM 314 C GLY A 19 16.057 6.666 -20.403 1.00 0.00 C ATOM 315 O GLY A 19 15.867 5.682 -21.119 1.00 0.00 O ATOM 0 H GLY A 19 18.549 7.611 -18.931 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.042 8.341 -21.303 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.076 6.946 -21.062 1.00 0.00 H new ATOM 319 N HIS A 20 15.222 7.014 -19.430 1.00 0.00 N ATOM 320 CA HIS A 20 13.996 6.268 -19.173 1.00 0.00 C ATOM 321 C HIS A 20 12.843 6.865 -19.969 1.00 0.00 C ATOM 322 O HIS A 20 12.605 8.071 -19.916 1.00 0.00 O ATOM 323 CB HIS A 20 13.628 6.278 -17.683 1.00 0.00 C ATOM 324 CG HIS A 20 14.699 5.773 -16.764 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.528 6.603 -16.040 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.059 4.513 -16.441 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.354 5.869 -15.317 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.091 4.599 -15.543 1.00 0.00 N ATOM 0 H HIS A 20 15.372 7.807 -18.807 1.00 0.00 H new ATOM 0 HA HIS A 20 14.173 5.237 -19.481 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.373 7.297 -17.394 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.733 5.673 -17.541 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.616 3.604 -16.820 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.117 6.247 -14.652 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.576 3.808 -15.119 1.00 0.00 H new ATOM 337 N THR A 21 12.140 6.024 -20.705 1.00 0.00 N ATOM 338 CA THR A 21 10.942 6.443 -21.413 1.00 0.00 C ATOM 339 C THR A 21 9.813 6.713 -20.421 1.00 0.00 C ATOM 340 O THR A 21 9.507 5.862 -19.578 1.00 0.00 O ATOM 341 CB THR A 21 10.509 5.362 -22.426 1.00 0.00 C ATOM 342 OG1 THR A 21 11.406 5.352 -23.546 1.00 0.00 O ATOM 343 CG2 THR A 21 9.076 5.572 -22.903 1.00 0.00 C ATOM 0 H THR A 21 12.379 5.040 -20.829 1.00 0.00 H new ATOM 0 HA THR A 21 11.163 7.361 -21.957 1.00 0.00 H new ATOM 0 HB THR A 21 10.549 4.398 -21.919 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.126 4.662 -24.183 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.811 4.790 -23.614 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.399 5.531 -22.050 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.992 6.545 -23.386 1.00 0.00 H new ATOM 351 N CYS A 22 9.234 7.910 -20.480 1.00 0.00 N ATOM 352 CA CYS A 22 8.110 8.239 -19.619 1.00 0.00 C ATOM 353 C CYS A 22 6.880 7.417 -19.982 1.00 0.00 C ATOM 354 O CYS A 22 6.306 7.571 -21.060 1.00 0.00 O ATOM 355 CB CYS A 22 7.779 9.728 -19.676 1.00 0.00 C ATOM 356 SG CYS A 22 8.918 10.777 -18.722 1.00 0.00 S ATOM 0 H CYS A 22 9.524 8.659 -21.109 1.00 0.00 H new ATOM 0 HA CYS A 22 8.405 7.993 -18.599 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.789 10.052 -20.717 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.765 9.879 -19.305 1.00 0.00 H new ATOM 361 N GLN A 23 6.516 6.522 -19.087 1.00 0.00 N ATOM 362 CA GLN A 23 5.276 5.773 -19.172 1.00 0.00 C ATOM 363 C GLN A 23 4.080 6.721 -19.082 1.00 0.00 C ATOM 364 O GLN A 23 4.126 7.733 -18.377 1.00 0.00 O ATOM 365 CB GLN A 23 5.244 4.771 -18.025 1.00 0.00 C ATOM 366 CG GLN A 23 3.933 4.046 -17.849 1.00 0.00 C ATOM 367 CD GLN A 23 3.632 3.834 -16.403 1.00 0.00 C ATOM 368 OE1 GLN A 23 4.151 2.927 -15.768 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.752 4.650 -15.881 1.00 0.00 N ATOM 0 H GLN A 23 7.079 6.290 -18.269 1.00 0.00 H new ATOM 0 HA GLN A 23 5.220 5.249 -20.126 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.031 4.034 -18.184 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.480 5.294 -17.098 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.130 4.620 -18.311 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.973 3.085 -18.361 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.345 5.393 -16.449 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.473 4.543 -14.906 1.00 0.00 H new ATOM 378 N HIS A 24 3.009 6.373 -19.783 1.00 0.00 N ATOM 379 CA HIS A 24 1.835 7.235 -19.894 1.00 0.00 C ATOM 380 C HIS A 24 1.088 7.369 -18.578 1.00 0.00 C ATOM 381 O HIS A 24 0.997 6.424 -17.788 1.00 0.00 O ATOM 382 CB HIS A 24 0.875 6.696 -20.951 1.00 0.00 C ATOM 383 CG HIS A 24 1.443 6.684 -22.332 1.00 0.00 C ATOM 384 ND1 HIS A 24 1.353 7.587 -23.331 1.00 0.00 N flip ATOM 385 CD2 HIS A 24 2.208 5.651 -22.820 1.00 0.00 C flip ATOM 386 CE1 HIS A 24 2.060 7.091 -24.397 1.00 0.00 C flip ATOM 387 NE2 HIS A 24 2.567 5.921 -24.059 1.00 0.00 N flip ATOM 0 H HIS A 24 2.927 5.491 -20.289 1.00 0.00 H new ATOM 0 HA HIS A 24 2.200 8.221 -20.182 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.583 5.681 -20.680 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.032 7.301 -20.947 1.00 0.00 H new ATOM 0 HD2 HIS A 24 2.473 4.758 -22.273 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.181 7.577 -25.354 1.00 0.00 H new ATOM 0 HE2 HIS A 24 3.141 5.325 -24.656 1.00 0.00 H new ATOM 396 N TRP A 25 0.567 8.569 -18.352 1.00 0.00 N ATOM 397 CA TRP A 25 -0.300 8.835 -17.214 1.00 0.00 C ATOM 398 C TRP A 25 -1.618 8.097 -17.381 1.00 0.00 C ATOM 399 O TRP A 25 -2.187 7.593 -16.420 1.00 0.00 O ATOM 400 CB TRP A 25 -0.576 10.328 -17.064 1.00 0.00 C ATOM 401 CG TRP A 25 0.655 11.165 -16.962 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.136 12.015 -17.910 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.560 11.239 -15.855 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.279 12.619 -17.461 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.568 12.152 -16.207 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.621 10.623 -14.601 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.623 12.463 -15.354 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.667 10.933 -13.756 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.657 11.843 -14.136 1.00 0.00 C ATOM 0 H TRP A 25 0.733 9.379 -18.949 1.00 0.00 H new ATOM 0 HA TRP A 25 0.211 8.485 -16.317 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.163 10.666 -17.918 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.186 10.487 -16.175 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.682 12.187 -18.875 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.827 13.307 -17.978 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.862 9.916 -14.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.387 13.169 -15.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.721 10.464 -12.785 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.465 12.061 -13.454 1.00 0.00 H new ATOM 420 N SER A 26 -2.089 8.044 -18.619 1.00 0.00 N ATOM 421 CA SER A 26 -3.347 7.393 -18.943 1.00 0.00 C ATOM 422 C SER A 26 -3.187 5.873 -19.001 1.00 0.00 C ATOM 423 O SER A 26 -4.128 5.146 -19.327 1.00 0.00 O ATOM 424 CB SER A 26 -3.863 7.942 -20.274 1.00 0.00 C ATOM 425 OG SER A 26 -2.835 7.948 -21.257 1.00 0.00 O ATOM 0 H SER A 26 -1.611 8.450 -19.423 1.00 0.00 H new ATOM 0 HA SER A 26 -4.072 7.607 -18.158 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.700 7.336 -20.621 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.241 8.955 -20.132 1.00 0.00 H new ATOM 0 HG SER A 26 -3.190 8.302 -22.099 1.00 0.00 H new ATOM 431 N ALA A 27 -1.992 5.402 -18.671 1.00 0.00 N ATOM 432 CA ALA A 27 -1.704 3.984 -18.639 1.00 0.00 C ATOM 433 C ALA A 27 -1.283 3.571 -17.241 1.00 0.00 C ATOM 434 O ALA A 27 -0.515 4.269 -16.579 1.00 0.00 O ATOM 435 CB ALA A 27 -0.621 3.639 -19.652 1.00 0.00 C ATOM 0 H ALA A 27 -1.201 5.994 -18.420 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.607 3.434 -18.906 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.416 2.569 -19.615 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.959 3.910 -20.652 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.288 4.191 -19.415 1.00 0.00 H new ATOM 441 N GLN A 28 -1.810 2.455 -16.784 1.00 0.00 N ATOM 442 CA GLN A 28 -1.429 1.900 -15.496 1.00 0.00 C ATOM 443 C GLN A 28 -0.436 0.763 -15.708 1.00 0.00 C ATOM 444 O GLN A 28 -0.206 -0.065 -14.830 1.00 0.00 O ATOM 445 CB GLN A 28 -2.662 1.410 -14.733 1.00 0.00 C ATOM 446 CG GLN A 28 -3.563 2.528 -14.220 1.00 0.00 C ATOM 447 CD GLN A 28 -2.982 3.222 -13.016 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.235 2.847 -11.874 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.176 4.230 -13.265 1.00 0.00 N ATOM 0 H GLN A 28 -2.509 1.908 -17.287 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.956 2.678 -14.897 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.244 0.759 -15.385 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.336 0.804 -13.888 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.723 3.257 -15.015 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.539 2.116 -13.964 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.992 4.510 -14.228 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.734 4.732 -12.495 1.00 0.00 H new ATOM 458 N THR A 29 0.129 0.733 -16.903 1.00 0.00 N ATOM 459 CA THR A 29 1.179 -0.205 -17.252 1.00 0.00 C ATOM 460 C THR A 29 2.328 0.569 -17.895 1.00 0.00 C ATOM 461 O THR A 29 2.081 1.493 -18.677 1.00 0.00 O ATOM 462 CB THR A 29 0.652 -1.275 -18.234 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.502 -1.921 -17.676 1.00 0.00 O ATOM 464 CG2 THR A 29 1.713 -2.323 -18.548 1.00 0.00 C ATOM 0 H THR A 29 -0.130 1.363 -17.662 1.00 0.00 H new ATOM 0 HA THR A 29 1.524 -0.713 -16.352 1.00 0.00 H new ATOM 0 HB THR A 29 0.387 -0.770 -19.163 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.833 -2.597 -18.303 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.304 -3.058 -19.242 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.579 -1.840 -19.000 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.015 -2.822 -17.627 1.00 0.00 H new ATOM 472 N PRO A 30 3.596 0.238 -17.583 1.00 0.00 N ATOM 473 CA PRO A 30 3.971 -0.845 -16.650 1.00 0.00 C ATOM 474 C PRO A 30 3.576 -0.608 -15.180 1.00 0.00 C ATOM 475 O PRO A 30 3.081 -1.517 -14.518 1.00 0.00 O ATOM 476 CB PRO A 30 5.500 -0.912 -16.782 1.00 0.00 C ATOM 477 CG PRO A 30 5.916 0.408 -17.342 1.00 0.00 C ATOM 478 CD PRO A 30 4.774 0.887 -18.180 1.00 0.00 C ATOM 0 HA PRO A 30 3.443 -1.763 -16.908 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.969 -1.092 -15.815 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.801 -1.728 -17.439 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.137 1.117 -16.544 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.822 0.309 -17.940 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.688 1.973 -18.153 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.899 0.603 -19.225 1.00 0.00 H new ATOM 486 N HIS A 31 3.792 0.600 -14.676 1.00 0.00 N ATOM 487 CA HIS A 31 3.606 0.891 -13.250 1.00 0.00 C ATOM 488 C HIS A 31 2.188 1.372 -12.930 1.00 0.00 C ATOM 489 O HIS A 31 1.675 2.302 -13.562 1.00 0.00 O ATOM 490 CB HIS A 31 4.636 1.929 -12.783 1.00 0.00 C ATOM 491 CG HIS A 31 6.028 1.385 -12.683 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.611 0.633 -11.722 1.00 0.00 N flip ATOM 493 CD2 HIS A 31 7.005 1.607 -13.637 1.00 0.00 C flip ATOM 494 CE1 HIS A 31 7.910 0.419 -12.105 1.00 0.00 C flip ATOM 495 NE2 HIS A 31 8.124 1.013 -13.260 1.00 0.00 N flip ATOM 0 H HIS A 31 4.097 1.400 -15.231 1.00 0.00 H new ATOM 0 HA HIS A 31 3.757 -0.043 -12.709 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.632 2.771 -13.476 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.335 2.316 -11.810 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.874 2.176 -14.546 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.642 -0.147 -11.548 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.004 1.015 -13.776 1.00 0.00 H new ATOM 504 N THR A 32 1.579 0.754 -11.915 1.00 0.00 N ATOM 505 CA THR A 32 0.229 1.101 -11.475 1.00 0.00 C ATOM 506 C THR A 32 0.255 2.330 -10.564 1.00 0.00 C ATOM 507 O THR A 32 0.253 2.233 -9.333 1.00 0.00 O ATOM 508 CB THR A 32 -0.435 -0.083 -10.743 1.00 0.00 C ATOM 509 OG1 THR A 32 0.510 -0.705 -9.858 1.00 0.00 O ATOM 510 CG2 THR A 32 -0.963 -1.109 -11.733 1.00 0.00 C ATOM 0 H THR A 32 2.008 0.001 -11.377 1.00 0.00 H new ATOM 0 HA THR A 32 -0.360 1.334 -12.362 1.00 0.00 H new ATOM 0 HB THR A 32 -1.275 0.303 -10.165 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.886 -0.031 -9.254 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.426 -1.933 -11.191 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.703 -0.641 -12.382 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.139 -1.490 -12.337 1.00 0.00 H new ATOM 518 N HIS A 33 0.310 3.487 -11.187 1.00 0.00 N ATOM 519 CA HIS A 33 0.473 4.744 -10.465 1.00 0.00 C ATOM 520 C HIS A 33 -0.861 5.418 -10.164 1.00 0.00 C ATOM 521 O HIS A 33 -1.739 5.469 -11.010 1.00 0.00 O ATOM 522 CB HIS A 33 1.353 5.691 -11.263 1.00 0.00 C ATOM 523 CG HIS A 33 0.811 5.993 -12.619 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.759 5.243 -13.742 1.00 0.00 N flip ATOM 525 CD2 HIS A 33 0.209 7.185 -12.931 1.00 0.00 C flip ATOM 526 CE1 HIS A 33 0.131 5.993 -14.698 1.00 0.00 C flip ATOM 527 NE2 HIS A 33 -0.195 7.156 -14.179 1.00 0.00 N flip ATOM 0 H HIS A 33 0.244 3.590 -12.200 1.00 0.00 H new ATOM 0 HA HIS A 33 0.945 4.508 -9.511 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.469 6.623 -10.709 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.347 5.255 -11.365 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.086 8.018 -12.255 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.065 5.681 -15.713 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.681 7.910 -14.665 1.00 0.00 H new ATOM 536 N ASN A 34 -0.975 5.994 -8.980 1.00 0.00 N ATOM 537 CA ASN A 34 -2.183 6.722 -8.598 1.00 0.00 C ATOM 538 C ASN A 34 -2.099 8.190 -9.013 1.00 0.00 C ATOM 539 O ASN A 34 -2.642 9.067 -8.348 1.00 0.00 O ATOM 540 CB ASN A 34 -2.416 6.643 -7.095 1.00 0.00 C ATOM 541 CG ASN A 34 -2.665 5.227 -6.604 1.00 0.00 C ATOM 542 OD1 ASN A 34 -3.800 4.753 -6.596 1.00 0.00 O ATOM 543 ND2 ASN A 34 -1.612 4.544 -6.178 1.00 0.00 N ATOM 0 H ASN A 34 -0.249 5.975 -8.264 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.018 6.252 -9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.549 7.054 -6.577 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.270 7.268 -6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.728 3.593 -5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.685 4.970 -6.199 1.00 0.00 H new ATOM 550 N ARG A 36 -1.392 8.456 -10.100 1.00 0.00 N ATOM 551 CA ARG A 36 -1.333 9.801 -10.662 1.00 0.00 C ATOM 552 C ARG A 36 -1.758 9.760 -12.118 1.00 0.00 C ATOM 553 O ARG A 36 -0.926 9.748 -13.019 1.00 0.00 O ATOM 554 CB ARG A 36 0.069 10.432 -10.540 1.00 0.00 C ATOM 555 CG ARG A 36 0.456 10.868 -9.129 1.00 0.00 C ATOM 556 CD ARG A 36 0.986 9.707 -8.304 1.00 0.00 C ATOM 557 NE ARG A 36 1.129 10.046 -6.889 1.00 0.00 N ATOM 558 CZ ARG A 36 1.283 9.145 -5.917 1.00 0.00 C ATOM 559 NH1 ARG A 36 1.342 7.850 -6.206 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 1.397 9.550 -4.660 1.00 0.00 N ATOM 0 H ARG A 36 -0.850 7.760 -10.612 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.016 10.427 -10.088 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.807 9.714 -10.898 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.120 11.298 -11.199 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.214 11.649 -9.185 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.412 11.301 -8.632 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.312 8.856 -8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.953 9.396 -8.699 1.00 0.00 H new ATOM 0 HE ARG A 36 1.110 11.032 -6.629 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.270 7.540 -7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.460 7.166 -5.459 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.367 10.546 -4.440 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.515 8.866 -3.913 1.00 0.00 H new ATOM 574 N THR A 37 -3.056 9.719 -12.333 1.00 0.00 N ATOM 575 CA THR A 37 -3.620 9.595 -13.661 1.00 0.00 C ATOM 576 C THR A 37 -4.492 10.807 -13.946 1.00 0.00 C ATOM 577 O THR A 37 -4.849 11.536 -13.024 1.00 0.00 O ATOM 578 CB THR A 37 -4.459 8.302 -13.774 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.441 8.269 -12.730 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.569 7.071 -13.674 1.00 0.00 C ATOM 0 H THR A 37 -3.752 9.771 -11.589 1.00 0.00 H new ATOM 0 HA THR A 37 -2.812 9.543 -14.391 1.00 0.00 H new ATOM 0 HB THR A 37 -4.955 8.296 -14.745 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.972 7.449 -12.806 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.180 6.172 -13.756 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.836 7.086 -14.480 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.053 7.072 -12.714 1.00 0.00 H new ATOM 588 N PRO A 38 -4.822 11.070 -15.218 1.00 0.00 N ATOM 589 CA PRO A 38 -5.715 12.172 -15.577 1.00 0.00 C ATOM 590 C PRO A 38 -7.117 12.022 -14.975 1.00 0.00 C ATOM 591 O PRO A 38 -7.950 12.914 -15.097 1.00 0.00 O ATOM 592 CB PRO A 38 -5.766 12.142 -17.108 1.00 0.00 C ATOM 593 CG PRO A 38 -5.131 10.860 -17.533 1.00 0.00 C ATOM 594 CD PRO A 38 -4.299 10.362 -16.392 1.00 0.00 C ATOM 0 HA PRO A 38 -5.348 13.120 -15.184 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.795 12.200 -17.462 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.235 12.995 -17.530 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.892 10.127 -17.800 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.513 11.014 -18.418 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.390 9.282 -16.277 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.242 10.578 -16.548 1.00 0.00 H new ATOM 602 N GLU A 39 -7.367 10.888 -14.325 1.00 0.00 N ATOM 603 CA GLU A 39 -8.595 10.689 -13.567 1.00 0.00 C ATOM 604 C GLU A 39 -8.398 11.127 -12.119 1.00 0.00 C ATOM 605 O GLU A 39 -9.355 11.416 -11.406 1.00 0.00 O ATOM 606 CB GLU A 39 -9.014 9.221 -13.593 1.00 0.00 C ATOM 607 CG GLU A 39 -9.347 8.694 -14.972 1.00 0.00 C ATOM 608 CD GLU A 39 -9.921 7.297 -14.921 1.00 0.00 C ATOM 609 OE1 GLU A 39 -11.151 7.166 -14.757 1.00 0.00 O ATOM 610 OE2 GLU A 39 -9.148 6.323 -15.032 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.731 10.091 -14.310 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.377 11.292 -14.029 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.210 8.618 -13.170 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.883 9.091 -12.948 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.062 9.362 -15.453 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.447 8.694 -15.587 1.00 0.00 H new ATOM 617 N ASN A 40 -7.143 11.176 -11.699 1.00 0.00 N ATOM 618 CA ASN A 40 -6.790 11.524 -10.326 1.00 0.00 C ATOM 619 C ASN A 40 -6.376 12.977 -10.231 1.00 0.00 C ATOM 620 O ASN A 40 -6.643 13.654 -9.239 1.00 0.00 O ATOM 621 CB ASN A 40 -5.646 10.628 -9.829 1.00 0.00 C ATOM 622 CG ASN A 40 -6.128 9.280 -9.331 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.147 8.762 -9.786 1.00 0.00 O ATOM 624 ND2 ASN A 40 -5.392 8.692 -8.400 1.00 0.00 N ATOM 0 H ASN A 40 -6.341 10.977 -12.296 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.668 11.368 -9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -4.932 10.477 -10.638 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.114 11.138 -9.026 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.664 7.779 -8.036 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.553 9.152 -8.047 1.00 0.00 H new ATOM 631 N PHE A 41 -5.722 13.444 -11.271 1.00 0.00 N ATOM 632 CA PHE A 41 -5.266 14.820 -11.345 1.00 0.00 C ATOM 633 C PHE A 41 -5.620 15.410 -12.707 1.00 0.00 C ATOM 634 O PHE A 41 -4.733 15.746 -13.496 1.00 0.00 O ATOM 635 CB PHE A 41 -3.753 14.896 -11.109 1.00 0.00 C ATOM 636 CG PHE A 41 -3.318 14.431 -9.747 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.047 13.092 -9.504 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.175 15.337 -8.709 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.644 12.668 -8.253 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.773 14.917 -7.456 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.507 13.581 -7.228 1.00 0.00 C ATOM 0 H PHE A 41 -5.490 12.883 -12.091 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.764 15.399 -10.567 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.248 14.294 -11.865 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.426 15.926 -11.251 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.152 12.373 -10.303 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.380 16.383 -8.881 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.436 11.623 -8.077 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.667 15.633 -6.655 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.192 13.252 -6.249 1.00 0.00 H new ATOM 651 N PRO A 42 -6.927 15.542 -13.000 1.00 0.00 N ATOM 652 CA PRO A 42 -7.400 16.017 -14.304 1.00 0.00 C ATOM 653 C PRO A 42 -6.886 17.413 -14.632 1.00 0.00 C ATOM 654 O PRO A 42 -6.272 17.639 -15.677 1.00 0.00 O ATOM 655 CB PRO A 42 -8.928 16.032 -14.159 1.00 0.00 C ATOM 656 CG PRO A 42 -9.219 15.124 -13.017 1.00 0.00 C ATOM 657 CD PRO A 42 -8.047 15.246 -12.087 1.00 0.00 C ATOM 0 HA PRO A 42 -7.046 15.381 -15.115 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.295 17.040 -13.965 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.414 15.686 -15.071 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.145 15.408 -12.518 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.343 14.096 -13.357 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.193 16.042 -11.356 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.879 14.326 -11.527 1.00 0.00 H new ATOM 665 N SER A 43 -7.094 18.334 -13.706 1.00 0.00 N ATOM 666 CA SER A 43 -6.738 19.730 -13.909 1.00 0.00 C ATOM 667 C SER A 43 -5.244 19.976 -13.684 1.00 0.00 C ATOM 668 O SER A 43 -4.811 21.119 -13.534 1.00 0.00 O ATOM 669 CB SER A 43 -7.573 20.601 -12.973 1.00 0.00 C ATOM 670 OG SER A 43 -7.690 19.997 -11.694 1.00 0.00 O ATOM 0 H SER A 43 -7.512 18.138 -12.797 1.00 0.00 H new ATOM 0 HA SER A 43 -6.951 19.993 -14.945 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.112 21.584 -12.875 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.564 20.755 -13.400 1.00 0.00 H new ATOM 0 HG SER A 43 -8.227 20.571 -11.109 1.00 0.00 H new ATOM 676 N LYS A 44 -4.458 18.903 -13.675 1.00 0.00 N ATOM 677 CA LYS A 44 -3.019 19.026 -13.517 1.00 0.00 C ATOM 678 C LYS A 44 -2.340 18.640 -14.820 1.00 0.00 C ATOM 679 O LYS A 44 -1.115 18.635 -14.933 1.00 0.00 O ATOM 680 CB LYS A 44 -2.507 18.179 -12.352 1.00 0.00 C ATOM 681 CG LYS A 44 -1.447 18.902 -11.533 1.00 0.00 C ATOM 682 CD LYS A 44 -1.971 20.250 -11.057 1.00 0.00 C ATOM 683 CE LYS A 44 -0.860 21.164 -10.565 1.00 0.00 C ATOM 684 NZ LYS A 44 -0.298 20.737 -9.258 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.794 17.945 -13.775 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.777 20.062 -13.280 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.343 17.912 -11.705 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.092 17.248 -12.738 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.162 18.292 -10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.549 19.046 -12.134 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.504 20.738 -11.873 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.691 20.094 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.062 21.190 -11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.245 22.180 -10.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.382 21.449 -8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.067 20.639 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.185 19.823 -9.370 1.00 0.00 H new ATOM 698 N ASN A 45 -3.184 18.298 -15.791 1.00 0.00 N ATOM 699 CA ASN A 45 -2.785 18.117 -17.183 1.00 0.00 C ATOM 700 C ASN A 45 -1.893 16.900 -17.381 1.00 0.00 C ATOM 701 O ASN A 45 -0.792 17.004 -17.900 1.00 0.00 O ATOM 702 CB ASN A 45 -2.094 19.378 -17.725 1.00 0.00 C ATOM 703 CG ASN A 45 -2.956 20.626 -17.601 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.450 21.748 -17.623 1.00 0.00 O ATOM 705 ND2 ASN A 45 -4.262 20.448 -17.437 1.00 0.00 N ATOM 0 H ASN A 45 -4.178 18.137 -15.630 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.700 17.943 -17.749 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.159 19.534 -17.187 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.837 19.223 -18.773 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.876 21.254 -17.325 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.650 19.505 -17.423 1.00 0.00 H new ATOM 712 N LEU A 46 -2.383 15.737 -17.002 1.00 0.00 N ATOM 713 CA LEU A 46 -1.652 14.497 -17.232 1.00 0.00 C ATOM 714 C LEU A 46 -1.807 14.045 -18.682 1.00 0.00 C ATOM 715 O LEU A 46 -2.436 13.026 -18.980 1.00 0.00 O ATOM 716 CB LEU A 46 -2.127 13.427 -16.246 1.00 0.00 C ATOM 717 CG LEU A 46 -1.260 13.278 -14.982 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.323 14.465 -14.798 1.00 0.00 C ATOM 719 CD2 LEU A 46 -2.132 13.113 -13.745 1.00 0.00 C ATOM 0 H LEU A 46 -3.282 15.619 -16.534 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.589 14.665 -17.060 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.148 13.661 -15.943 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.159 12.467 -16.762 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.653 12.383 -15.113 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.272 14.323 -13.896 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.339 14.543 -15.660 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.908 15.380 -14.706 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.498 13.009 -12.864 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.771 13.988 -13.631 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.752 12.223 -13.853 1.00 0.00 H new ATOM 731 N ASP A 47 -1.216 14.839 -19.570 1.00 0.00 N ATOM 732 CA ASP A 47 -1.253 14.606 -21.007 1.00 0.00 C ATOM 733 C ASP A 47 -0.294 13.498 -21.408 1.00 0.00 C ATOM 734 O ASP A 47 0.901 13.576 -21.113 1.00 0.00 O ATOM 735 CB ASP A 47 -0.848 15.874 -21.765 1.00 0.00 C ATOM 736 CG ASP A 47 -1.834 17.015 -21.645 1.00 0.00 C ATOM 737 OD1 ASP A 47 -1.727 17.795 -20.677 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -2.687 17.167 -22.543 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.691 15.673 -19.306 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.274 14.320 -21.260 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.122 16.208 -21.398 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.722 15.628 -22.819 1.00 0.00 H new ATOM 743 N GLU A 48 -0.824 12.485 -22.094 1.00 0.00 N ATOM 744 CA GLU A 48 -0.021 11.407 -22.670 1.00 0.00 C ATOM 745 C GLU A 48 0.937 10.793 -21.657 1.00 0.00 C ATOM 746 O GLU A 48 0.553 9.966 -20.830 1.00 0.00 O ATOM 747 CB GLU A 48 0.786 11.906 -23.875 1.00 0.00 C ATOM 748 CG GLU A 48 -0.004 12.054 -25.169 1.00 0.00 C ATOM 749 CD GLU A 48 -1.142 13.051 -25.082 1.00 0.00 C ATOM 750 OE1 GLU A 48 -2.237 12.676 -24.612 1.00 0.00 O ATOM 751 OE2 GLU A 48 -0.952 14.210 -25.505 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.825 12.389 -22.266 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.726 10.639 -22.988 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.224 12.872 -23.623 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.612 11.217 -24.049 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.675 12.361 -25.965 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.407 11.081 -25.451 1.00 0.00 H new ATOM 758 N ASN A 49 2.186 11.225 -21.734 1.00 0.00 N ATOM 759 CA ASN A 49 3.239 10.729 -20.870 1.00 0.00 C ATOM 760 C ASN A 49 4.281 11.815 -20.644 1.00 0.00 C ATOM 761 O ASN A 49 5.405 11.535 -20.239 1.00 0.00 O ATOM 762 CB ASN A 49 3.884 9.483 -21.487 1.00 0.00 C ATOM 763 CG ASN A 49 4.534 9.747 -22.836 1.00 0.00 C ATOM 764 OD1 ASN A 49 5.838 9.950 -22.838 1.00 0.00 O flip ATOM 765 ND2 ASN A 49 3.870 9.737 -23.872 1.00 0.00 N flip ATOM 0 H ASN A 49 2.496 11.932 -22.401 1.00 0.00 H new ATOM 0 HA ASN A 49 2.809 10.454 -19.907 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.635 9.093 -20.800 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.125 8.709 -21.602 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.863 9.577 -23.831 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.326 9.889 -24.772 1.00 0.00 H new ATOM 772 N TYR A 50 3.894 13.058 -20.926 1.00 0.00 N ATOM 773 CA TYR A 50 4.776 14.209 -20.722 1.00 0.00 C ATOM 774 C TYR A 50 5.195 14.303 -19.262 1.00 0.00 C ATOM 775 O TYR A 50 4.430 13.938 -18.371 1.00 0.00 O ATOM 776 CB TYR A 50 4.074 15.517 -21.097 1.00 0.00 C ATOM 777 CG TYR A 50 3.376 15.515 -22.434 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.689 14.590 -23.421 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.392 16.454 -22.703 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.034 14.602 -24.639 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.737 16.473 -23.914 1.00 0.00 C ATOM 782 CZ TYR A 50 2.057 15.546 -24.879 1.00 0.00 C ATOM 783 OH TYR A 50 1.394 15.563 -26.085 1.00 0.00 O ATOM 0 H TYR A 50 2.974 13.295 -21.297 1.00 0.00 H new ATOM 0 HA TYR A 50 5.648 14.065 -21.360 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.342 15.751 -20.324 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.811 16.320 -21.092 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.454 13.851 -23.235 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.135 17.183 -21.949 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.286 13.876 -25.398 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.974 17.213 -24.106 1.00 0.00 H new ATOM 0 HH TYR A 50 0.535 15.101 -25.992 1.00 0.00 H new ATOM 793 N CYS A 51 6.399 14.793 -19.022 1.00 0.00 N ATOM 794 CA CYS A 51 6.880 15.010 -17.665 1.00 0.00 C ATOM 795 C CYS A 51 6.045 16.071 -16.952 1.00 0.00 C ATOM 796 O CYS A 51 6.327 17.264 -17.051 1.00 0.00 O ATOM 797 CB CYS A 51 8.339 15.447 -17.683 1.00 0.00 C ATOM 798 SG CYS A 51 9.491 14.220 -18.369 1.00 0.00 S ATOM 0 H CYS A 51 7.065 15.049 -19.751 1.00 0.00 H new ATOM 0 HA CYS A 51 6.789 14.067 -17.125 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.422 16.367 -18.262 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.646 15.684 -16.664 1.00 0.00 H new ATOM 803 N ARG A 52 4.998 15.637 -16.277 1.00 0.00 N ATOM 804 CA ARG A 52 4.164 16.533 -15.492 1.00 0.00 C ATOM 805 C ARG A 52 4.577 16.496 -14.028 1.00 0.00 C ATOM 806 O ARG A 52 5.504 15.783 -13.652 1.00 0.00 O ATOM 807 CB ARG A 52 2.696 16.144 -15.627 1.00 0.00 C ATOM 808 CG ARG A 52 2.127 16.356 -17.021 1.00 0.00 C ATOM 809 CD ARG A 52 2.285 17.797 -17.494 1.00 0.00 C ATOM 810 NE ARG A 52 1.414 18.083 -18.633 1.00 0.00 N ATOM 811 CZ ARG A 52 1.431 19.199 -19.348 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.316 20.153 -19.083 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.537 19.370 -20.313 1.00 0.00 N ATOM 0 H ARG A 52 4.701 14.661 -16.256 1.00 0.00 H new ATOM 0 HA ARG A 52 4.297 17.547 -15.870 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.582 15.095 -15.355 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.110 16.724 -14.914 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.628 15.688 -17.722 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.071 16.088 -17.025 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.052 18.478 -16.675 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.323 17.978 -17.773 1.00 0.00 H new ATOM 0 HE ARG A 52 0.739 17.366 -18.899 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.988 20.029 -18.326 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.324 21.009 -19.637 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.156 18.646 -20.500 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.543 20.226 -20.868 1.00 0.00 H new ATOM 827 N ASN A 53 3.890 17.271 -13.207 1.00 0.00 N ATOM 828 CA ASN A 53 4.067 17.193 -11.765 1.00 0.00 C ATOM 829 C ASN A 53 2.693 17.148 -11.094 1.00 0.00 C ATOM 830 O ASN A 53 2.234 18.133 -10.512 1.00 0.00 O ATOM 831 CB ASN A 53 4.883 18.383 -11.249 1.00 0.00 C ATOM 832 CG ASN A 53 5.301 18.235 -9.799 1.00 0.00 C ATOM 833 OD1 ASN A 53 4.777 17.396 -9.065 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.237 19.073 -9.373 1.00 0.00 N ATOM 0 H ASN A 53 3.204 17.962 -13.513 1.00 0.00 H new ATOM 0 HA ASN A 53 4.619 16.286 -11.521 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.773 18.501 -11.867 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.295 19.294 -11.360 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.550 19.038 -8.403 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.644 19.752 -10.016 1.00 0.00 H new ATOM 841 N PRO A 54 2.000 16.002 -11.205 1.00 0.00 N ATOM 842 CA PRO A 54 0.664 15.826 -10.631 1.00 0.00 C ATOM 843 C PRO A 54 0.681 15.691 -9.109 1.00 0.00 C ATOM 844 O PRO A 54 -0.022 16.416 -8.411 1.00 0.00 O ATOM 845 CB PRO A 54 0.163 14.533 -11.272 1.00 0.00 C ATOM 846 CG PRO A 54 1.392 13.776 -11.646 1.00 0.00 C ATOM 847 CD PRO A 54 2.456 14.799 -11.930 1.00 0.00 C ATOM 0 HA PRO A 54 0.031 16.692 -10.827 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.454 13.963 -10.577 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.452 14.741 -12.147 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.699 13.112 -10.838 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.211 13.152 -12.521 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.433 14.467 -11.577 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.551 14.990 -12.999 1.00 0.00 H new ATOM 855 N ASP A 55 1.483 14.755 -8.605 1.00 0.00 N ATOM 856 CA ASP A 55 1.555 14.490 -7.166 1.00 0.00 C ATOM 857 C ASP A 55 2.032 15.714 -6.390 1.00 0.00 C ATOM 858 O ASP A 55 1.527 16.009 -5.309 1.00 0.00 O ATOM 859 CB ASP A 55 2.484 13.304 -6.888 1.00 0.00 C ATOM 860 CG ASP A 55 2.534 12.931 -5.420 1.00 0.00 C ATOM 861 OD1 ASP A 55 1.632 12.204 -4.961 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 3.481 13.350 -4.724 1.00 0.00 O1- ATOM 0 H ASP A 55 2.094 14.166 -9.171 1.00 0.00 H new ATOM 0 HA ASP A 55 0.548 14.248 -6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.150 12.443 -7.466 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.490 13.547 -7.231 1.00 0.00 H new ATOM 867 N GLY A 56 2.991 16.430 -6.961 1.00 0.00 N ATOM 868 CA GLY A 56 3.532 17.605 -6.305 1.00 0.00 C ATOM 869 C GLY A 56 4.918 17.365 -5.749 1.00 0.00 C ATOM 870 O GLY A 56 5.107 17.308 -4.535 1.00 0.00 O ATOM 0 H GLY A 56 3.405 16.218 -7.869 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.566 18.431 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.866 17.906 -5.497 1.00 0.00 H new ATOM 874 N LYS A 57 5.880 17.208 -6.645 1.00 0.00 N ATOM 875 CA LYS A 57 7.274 17.057 -6.259 1.00 0.00 C ATOM 876 C LYS A 57 8.005 18.375 -6.466 1.00 0.00 C ATOM 877 O LYS A 57 7.378 19.392 -6.762 1.00 0.00 O ATOM 878 CB LYS A 57 7.955 15.954 -7.078 1.00 0.00 C ATOM 879 CG LYS A 57 7.266 14.600 -7.001 1.00 0.00 C ATOM 880 CD LYS A 57 7.069 14.152 -5.565 1.00 0.00 C ATOM 881 CE LYS A 57 6.532 12.732 -5.490 1.00 0.00 C ATOM 882 NZ LYS A 57 5.984 12.417 -4.144 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.719 17.182 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 57 7.312 16.775 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.999 16.267 -8.121 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.984 15.845 -6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.299 14.655 -7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.860 13.858 -7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.018 14.211 -5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.378 14.830 -5.063 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.752 12.599 -6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.329 12.029 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.896 11.386 -4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.625 12.787 -3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.048 12.857 -4.039 1.00 0.00 H new ATOM 896 N ARG A 59 9.320 18.357 -6.337 1.00 0.00 N ATOM 897 CA ARG A 59 10.117 19.565 -6.521 1.00 0.00 C ATOM 898 C ARG A 59 10.324 19.870 -8.003 1.00 0.00 C ATOM 899 O ARG A 59 10.679 20.989 -8.371 1.00 0.00 O ATOM 900 CB ARG A 59 11.472 19.407 -5.829 1.00 0.00 C ATOM 901 CG ARG A 59 12.283 18.239 -6.361 1.00 0.00 C ATOM 902 CD ARG A 59 13.422 17.868 -5.425 1.00 0.00 C ATOM 903 NE ARG A 59 14.497 18.858 -5.430 1.00 0.00 N ATOM 904 CZ ARG A 59 15.404 18.980 -4.463 1.00 0.00 C ATOM 905 NH1 ARG A 59 15.322 18.232 -3.369 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 16.391 19.856 -4.585 1.00 0.00 N ATOM 0 H ARG A 59 9.861 17.523 -6.106 1.00 0.00 H new ATOM 0 HA ARG A 59 9.576 20.399 -6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.045 20.326 -5.953 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.313 19.273 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.631 17.377 -6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.686 18.493 -7.341 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.035 17.762 -4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.825 16.898 -5.715 1.00 0.00 H new ATOM 0 HE ARG A 59 14.556 19.495 -6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.562 17.560 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.019 18.329 -2.631 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.456 20.438 -5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.085 19.949 -3.844 1.00 0.00 H new ATOM 920 N ALA A 60 10.091 18.875 -8.848 1.00 0.00 N ATOM 921 CA ALA A 60 10.350 19.008 -10.276 1.00 0.00 C ATOM 922 C ALA A 60 9.453 18.073 -11.081 1.00 0.00 C ATOM 923 O ALA A 60 8.855 17.153 -10.517 1.00 0.00 O ATOM 924 CB ALA A 60 11.816 18.709 -10.560 1.00 0.00 C ATOM 0 H ALA A 60 9.723 17.966 -8.569 1.00 0.00 H new ATOM 0 HA ALA A 60 10.126 20.031 -10.578 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.007 18.809 -11.628 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.443 19.412 -10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.048 17.692 -10.244 1.00 0.00 H new ATOM 930 N PRO A 61 9.334 18.310 -12.404 1.00 0.00 N ATOM 931 CA PRO A 61 8.590 17.426 -13.307 1.00 0.00 C ATOM 932 C PRO A 61 9.091 15.999 -13.223 1.00 0.00 C ATOM 933 O PRO A 61 10.302 15.756 -13.227 1.00 0.00 O ATOM 934 CB PRO A 61 8.877 17.993 -14.696 1.00 0.00 C ATOM 935 CG PRO A 61 9.200 19.416 -14.452 1.00 0.00 C ATOM 936 CD PRO A 61 9.899 19.462 -13.123 1.00 0.00 C ATOM 0 HA PRO A 61 7.529 17.393 -13.061 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.707 17.473 -15.174 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.014 17.888 -15.354 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.838 19.812 -15.242 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.296 20.024 -14.438 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.980 19.376 -13.234 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.705 20.398 -12.599 1.00 0.00 H new ATOM 944 N TRP A 62 8.169 15.066 -13.161 1.00 0.00 N ATOM 945 CA TRP A 62 8.520 13.679 -12.979 1.00 0.00 C ATOM 946 C TRP A 62 7.541 12.784 -13.718 1.00 0.00 C ATOM 947 O TRP A 62 6.429 13.195 -14.041 1.00 0.00 O ATOM 948 CB TRP A 62 8.540 13.340 -11.489 1.00 0.00 C ATOM 949 CG TRP A 62 7.196 13.413 -10.829 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.562 14.521 -10.347 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.328 12.312 -10.573 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.348 14.168 -9.800 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.184 12.812 -9.928 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.418 10.949 -10.832 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.133 11.983 -9.537 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.380 10.131 -10.445 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.251 10.649 -9.804 1.00 0.00 C ATOM 0 H TRP A 62 7.167 15.245 -13.234 1.00 0.00 H new ATOM 0 HA TRP A 62 9.515 13.508 -13.391 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.942 12.335 -11.361 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.221 14.023 -10.981 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.954 15.526 -10.388 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.681 14.809 -9.371 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.286 10.539 -11.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.259 12.381 -9.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.439 9.070 -10.640 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.455 9.980 -9.514 1.00 0.00 H new ATOM 968 N CYS A 63 7.956 11.567 -13.990 1.00 0.00 N ATOM 969 CA CYS A 63 7.097 10.614 -14.661 1.00 0.00 C ATOM 970 C CYS A 63 7.455 9.203 -14.215 1.00 0.00 C ATOM 971 O CYS A 63 8.343 9.016 -13.387 1.00 0.00 O ATOM 972 CB CYS A 63 7.241 10.754 -16.179 1.00 0.00 C ATOM 973 SG CYS A 63 8.779 10.035 -16.839 1.00 0.00 S ATOM 0 H CYS A 63 8.884 11.213 -13.757 1.00 0.00 H new ATOM 0 HA CYS A 63 6.059 10.813 -14.396 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.390 10.274 -16.661 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.202 11.811 -16.443 1.00 0.00 H new ATOM 978 N HIS A 64 6.755 8.213 -14.744 1.00 0.00 N ATOM 979 CA HIS A 64 7.025 6.826 -14.395 1.00 0.00 C ATOM 980 C HIS A 64 7.801 6.183 -15.518 1.00 0.00 C ATOM 981 O HIS A 64 7.472 6.373 -16.678 1.00 0.00 O ATOM 982 CB HIS A 64 5.715 6.070 -14.126 1.00 0.00 C ATOM 983 CG HIS A 64 4.937 6.681 -13.010 1.00 0.00 C ATOM 984 ND1 HIS A 64 4.008 7.684 -13.204 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.977 6.458 -11.678 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.516 8.051 -12.039 1.00 0.00 C ATOM 987 NE2 HIS A 64 4.087 7.323 -11.097 1.00 0.00 N ATOM 0 H HIS A 64 5.998 8.342 -15.415 1.00 0.00 H new ATOM 0 HA HIS A 64 7.617 6.787 -13.481 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.107 6.064 -15.031 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.939 5.031 -13.886 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.594 5.734 -11.167 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.772 8.817 -11.881 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.896 7.393 -10.097 1.00 0.00 H new ATOM 996 N THR A 65 8.839 5.446 -15.185 1.00 0.00 N ATOM 997 CA THR A 65 9.686 4.864 -16.205 1.00 0.00 C ATOM 998 C THR A 65 9.056 3.588 -16.734 1.00 0.00 C ATOM 999 O THR A 65 8.418 2.842 -15.984 1.00 0.00 O ATOM 1000 CB THR A 65 11.104 4.568 -15.661 1.00 0.00 C ATOM 1001 OG1 THR A 65 11.118 3.332 -14.941 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.564 5.692 -14.744 1.00 0.00 C ATOM 0 H THR A 65 9.115 5.237 -14.226 1.00 0.00 H new ATOM 0 HA THR A 65 9.782 5.586 -17.016 1.00 0.00 H new ATOM 0 HB THR A 65 11.784 4.494 -16.510 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.018 3.511 -13.983 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.563 5.470 -14.369 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.585 6.629 -15.300 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.874 5.783 -13.905 1.00 0.00 H new ATOM 1010 N THR A 66 9.196 3.361 -18.031 1.00 0.00 N ATOM 1011 CA THR A 66 8.795 2.100 -18.630 1.00 0.00 C ATOM 1012 C THR A 66 9.810 1.000 -18.322 1.00 0.00 C ATOM 1013 O THR A 66 9.960 0.043 -19.083 1.00 0.00 O ATOM 1014 CB THR A 66 8.638 2.236 -20.155 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.812 2.842 -20.711 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.416 3.071 -20.500 1.00 0.00 C ATOM 0 H THR A 66 9.585 4.036 -18.689 1.00 0.00 H new ATOM 0 HA THR A 66 7.832 1.828 -18.197 1.00 0.00 H new ATOM 0 HB THR A 66 8.506 1.240 -20.579 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.956 2.503 -21.619 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.326 3.153 -21.583 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.523 2.593 -20.097 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.522 4.066 -20.068 1.00 0.00 H new ATOM 1024 N ASN A 67 10.514 1.151 -17.208 1.00 0.00 N ATOM 1025 CA ASN A 67 11.525 0.190 -16.795 1.00 0.00 C ATOM 1026 C ASN A 67 11.208 -0.315 -15.400 1.00 0.00 C ATOM 1027 O ASN A 67 10.809 0.458 -14.536 1.00 0.00 O ATOM 1028 CB ASN A 67 12.918 0.830 -16.795 1.00 0.00 C ATOM 1029 CG ASN A 67 13.298 1.424 -18.138 1.00 0.00 C ATOM 1030 OD1 ASN A 67 12.990 2.698 -18.334 1.00 0.00 O flip ATOM 1031 ND2 ASN A 67 13.876 0.751 -18.987 1.00 0.00 N flip ATOM 0 H ASN A 67 10.401 1.938 -16.570 1.00 0.00 H new ATOM 0 HA ASN A 67 11.520 -0.639 -17.502 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.953 1.611 -16.036 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.657 0.079 -16.514 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.096 -0.227 -18.799 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.136 1.170 -19.880 1.00 0.00 H new ATOM 1038 N SER A 68 11.398 -1.604 -15.173 1.00 0.00 N ATOM 1039 CA SER A 68 11.142 -2.182 -13.861 1.00 0.00 C ATOM 1040 C SER A 68 12.353 -2.009 -12.951 1.00 0.00 C ATOM 1041 O SER A 68 12.419 -2.585 -11.866 1.00 0.00 O ATOM 1042 CB SER A 68 10.779 -3.658 -13.997 1.00 0.00 C ATOM 1043 OG SER A 68 9.672 -3.817 -14.866 1.00 0.00 O ATOM 0 H SER A 68 11.727 -2.268 -15.874 1.00 0.00 H new ATOM 0 HA SER A 68 10.300 -1.657 -13.409 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.634 -4.215 -14.381 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.542 -4.073 -13.017 1.00 0.00 H new ATOM 0 HG SER A 68 9.452 -4.769 -14.945 1.00 0.00 H new ATOM 1049 N GLN A 69 13.311 -1.207 -13.404 1.00 0.00 N ATOM 1050 CA GLN A 69 14.493 -0.904 -12.621 1.00 0.00 C ATOM 1051 C GLN A 69 14.141 0.116 -11.555 1.00 0.00 C ATOM 1052 O GLN A 69 14.343 -0.097 -10.359 1.00 0.00 O ATOM 1053 CB GLN A 69 15.571 -0.315 -13.528 1.00 0.00 C ATOM 1054 CG GLN A 69 15.709 -1.020 -14.863 1.00 0.00 C ATOM 1055 CD GLN A 69 16.141 -2.464 -14.730 1.00 0.00 C ATOM 1056 OE1 GLN A 69 16.824 -2.841 -13.777 1.00 0.00 O ATOM 1057 NE2 GLN A 69 15.757 -3.275 -15.697 1.00 0.00 N ATOM 0 H GLN A 69 13.286 -0.754 -14.318 1.00 0.00 H new ATOM 0 HA GLN A 69 14.861 -1.819 -12.156 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.346 0.737 -13.706 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.528 -0.353 -13.008 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.755 -0.979 -15.389 1.00 0.00 H new ATOM 0 HG3 GLN A 69 16.434 -0.485 -15.476 1.00 0.00 H new ATOM 0 HE21 GLN A 69 15.191 -2.918 -16.467 1.00 0.00 H new ATOM 0 HE22 GLN A 69 16.026 -4.259 -15.674 1.00 0.00 H new ATOM 1066 N VAL A 70 13.576 1.214 -12.017 1.00 0.00 N ATOM 1067 CA VAL A 70 13.264 2.347 -11.177 1.00 0.00 C ATOM 1068 C VAL A 70 11.785 2.698 -11.306 1.00 0.00 C ATOM 1069 O VAL A 70 11.184 2.486 -12.358 1.00 0.00 O ATOM 1070 CB VAL A 70 14.139 3.556 -11.574 1.00 0.00 C ATOM 1071 CG1 VAL A 70 14.004 3.830 -13.057 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.789 4.797 -10.769 1.00 0.00 C ATOM 0 H VAL A 70 13.319 1.343 -12.996 1.00 0.00 H new ATOM 0 HA VAL A 70 13.474 2.090 -10.139 1.00 0.00 H new ATOM 0 HB VAL A 70 15.175 3.305 -11.348 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.625 4.684 -13.327 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.327 2.954 -13.620 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.963 4.049 -13.293 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.428 5.624 -11.079 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.745 5.060 -10.941 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.943 4.598 -9.708 1.00 0.00 H new ATOM 1082 N ARG A 71 11.204 3.215 -10.241 1.00 0.00 N ATOM 1083 CA ARG A 71 9.799 3.582 -10.247 1.00 0.00 C ATOM 1084 C ARG A 71 9.588 4.861 -11.060 1.00 0.00 C ATOM 1085 O ARG A 71 9.461 4.816 -12.288 1.00 0.00 O ATOM 1086 CB ARG A 71 9.293 3.747 -8.806 1.00 0.00 C ATOM 1087 CG ARG A 71 7.825 4.121 -8.687 1.00 0.00 C ATOM 1088 CD ARG A 71 7.381 4.122 -7.234 1.00 0.00 C ATOM 1089 NE ARG A 71 8.329 4.816 -6.362 1.00 0.00 N ATOM 1090 CZ ARG A 71 8.258 4.801 -5.030 1.00 0.00 C ATOM 1091 NH1 ARG A 71 7.270 4.154 -4.424 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 9.175 5.426 -4.307 1.00 0.00 N ATOM 0 H ARG A 71 11.683 3.391 -9.358 1.00 0.00 H new ATOM 0 HA ARG A 71 9.223 2.787 -10.720 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.461 2.814 -8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.890 4.513 -8.311 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.660 5.107 -9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.219 3.416 -9.256 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.404 4.598 -7.156 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.263 3.094 -6.892 1.00 0.00 H new ATOM 0 HE ARG A 71 9.087 5.341 -6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.564 3.668 -4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.217 4.143 -3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.938 5.921 -4.769 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.118 5.413 -3.289 1.00 0.00 H new ATOM 1106 N TRP A 72 9.524 5.995 -10.379 1.00 0.00 N ATOM 1107 CA TRP A 72 9.397 7.272 -11.049 1.00 0.00 C ATOM 1108 C TRP A 72 10.760 7.939 -11.222 1.00 0.00 C ATOM 1109 O TRP A 72 11.729 7.575 -10.548 1.00 0.00 O ATOM 1110 CB TRP A 72 8.414 8.175 -10.305 1.00 0.00 C ATOM 1111 CG TRP A 72 8.829 8.558 -8.922 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.781 7.786 -7.801 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.329 9.829 -8.514 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.221 8.503 -6.720 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.567 9.761 -7.132 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.602 11.016 -9.187 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.063 10.840 -6.408 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.093 12.085 -8.471 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.320 11.993 -7.095 1.00 0.00 C ATOM 0 H TRP A 72 9.558 6.053 -9.361 1.00 0.00 H new ATOM 0 HA TRP A 72 8.995 7.098 -12.047 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.266 9.084 -10.888 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.449 7.670 -10.252 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.446 6.760 -7.769 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.281 8.155 -5.763 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.432 11.097 -10.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.238 10.769 -5.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.307 13.012 -8.982 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.706 12.850 -6.564 1.00 0.00 H new ATOM 1130 N GLU A 73 10.820 8.916 -12.112 1.00 0.00 N ATOM 1131 CA GLU A 73 12.052 9.627 -12.419 1.00 0.00 C ATOM 1132 C GLU A 73 11.747 11.091 -12.711 1.00 0.00 C ATOM 1133 O GLU A 73 10.714 11.404 -13.305 1.00 0.00 O ATOM 1134 CB GLU A 73 12.717 8.992 -13.640 1.00 0.00 C ATOM 1135 CG GLU A 73 13.860 8.051 -13.320 1.00 0.00 C ATOM 1136 CD GLU A 73 15.177 8.774 -13.142 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.889 8.972 -14.151 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 15.511 9.142 -11.998 1.00 0.00 O1- ATOM 0 H GLU A 73 10.013 9.240 -12.644 1.00 0.00 H new ATOM 0 HA GLU A 73 12.724 9.565 -11.563 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.962 8.446 -14.205 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.088 9.786 -14.288 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.627 7.499 -12.410 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.957 7.318 -14.121 1.00 0.00 H new ATOM 1145 N TYR A 74 12.635 11.981 -12.279 1.00 0.00 N ATOM 1146 CA TYR A 74 12.517 13.397 -12.607 1.00 0.00 C ATOM 1147 C TYR A 74 12.913 13.637 -14.057 1.00 0.00 C ATOM 1148 O TYR A 74 13.453 12.750 -14.718 1.00 0.00 O ATOM 1149 CB TYR A 74 13.405 14.250 -11.696 1.00 0.00 C ATOM 1150 CG TYR A 74 12.881 14.432 -10.289 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.700 15.125 -10.054 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.576 13.934 -9.194 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.227 15.315 -8.767 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.108 14.116 -7.907 1.00 0.00 C ATOM 1155 CZ TYR A 74 11.935 14.811 -7.699 1.00 0.00 C ATOM 1156 OH TYR A 74 11.462 14.998 -6.418 1.00 0.00 O ATOM 0 H TYR A 74 13.443 11.747 -11.702 1.00 0.00 H new ATOM 0 HA TYR A 74 11.477 13.687 -12.457 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.393 13.793 -11.644 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.531 15.232 -12.151 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.142 15.522 -10.889 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.499 13.395 -9.352 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.307 15.856 -8.601 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.658 13.716 -7.068 1.00 0.00 H new ATOM 0 HH TYR A 74 12.076 14.581 -5.778 1.00 0.00 H new ATOM 1166 N CYS A 75 12.650 14.839 -14.546 1.00 0.00 N ATOM 1167 CA CYS A 75 13.030 15.208 -15.901 1.00 0.00 C ATOM 1168 C CYS A 75 13.788 16.530 -15.902 1.00 0.00 C ATOM 1169 O CYS A 75 13.486 17.435 -15.120 1.00 0.00 O ATOM 1170 CB CYS A 75 11.799 15.329 -16.794 1.00 0.00 C ATOM 1171 SG CYS A 75 10.722 13.862 -16.800 1.00 0.00 S ATOM 0 H CYS A 75 12.175 15.576 -14.025 1.00 0.00 H new ATOM 0 HA CYS A 75 13.677 14.423 -16.292 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.215 16.191 -16.471 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.125 15.529 -17.815 1.00 0.00 H new ATOM 1176 N LYS A 76 14.767 16.646 -16.784 1.00 0.00 N ATOM 1177 CA LYS A 76 15.575 17.855 -16.865 1.00 0.00 C ATOM 1178 C LYS A 76 14.941 18.871 -17.807 1.00 0.00 C ATOM 1179 O LYS A 76 15.245 18.909 -19.001 1.00 0.00 O ATOM 1180 CB LYS A 76 17.000 17.527 -17.326 1.00 0.00 C ATOM 1181 CG LYS A 76 17.915 18.741 -17.393 1.00 0.00 C ATOM 1182 CD LYS A 76 19.346 18.346 -17.720 1.00 0.00 C ATOM 1183 CE LYS A 76 20.275 19.550 -17.709 1.00 0.00 C ATOM 1184 NZ LYS A 76 19.976 20.499 -18.814 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.022 15.920 -17.454 1.00 0.00 H new ATOM 0 HA LYS A 76 15.623 18.291 -15.867 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.433 16.794 -16.646 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.956 17.061 -18.311 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.546 19.434 -18.149 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.891 19.268 -16.439 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.695 17.609 -16.996 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.378 17.870 -18.700 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.186 20.067 -16.754 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.308 19.211 -17.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.704 21.241 -18.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.970 19.987 -19.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.045 20.934 -18.656 1.00 0.00 H new ATOM 1198 N ILE A 77 14.042 19.679 -17.271 1.00 0.00 N ATOM 1199 CA ILE A 77 13.470 20.773 -18.032 1.00 0.00 C ATOM 1200 C ILE A 77 14.374 21.994 -17.862 1.00 0.00 C ATOM 1201 O ILE A 77 14.966 22.168 -16.798 1.00 0.00 O ATOM 1202 CB ILE A 77 12.028 21.102 -17.557 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.163 19.837 -17.497 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.371 22.138 -18.455 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.244 18.961 -18.728 1.00 0.00 C ATOM 0 H ILE A 77 13.695 19.598 -16.315 1.00 0.00 H new ATOM 0 HA ILE A 77 13.406 20.487 -19.082 1.00 0.00 H new ATOM 0 HB ILE A 77 12.108 21.518 -16.553 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.461 19.250 -16.629 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.124 20.130 -17.343 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.363 22.345 -18.095 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.958 23.057 -18.441 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.320 21.756 -19.475 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.601 18.090 -18.598 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.916 19.527 -19.600 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.273 18.633 -18.874 1.00 0.00 H new ATOM 1217 N PRO A 78 14.536 22.836 -18.903 1.00 0.00 N ATOM 1218 CA PRO A 78 15.360 24.047 -18.818 1.00 0.00 C ATOM 1219 C PRO A 78 14.792 25.040 -17.808 1.00 0.00 C ATOM 1220 O PRO A 78 13.879 24.721 -17.068 1.00 0.00 O ATOM 1221 CB PRO A 78 15.302 24.624 -20.238 1.00 0.00 C ATOM 1222 CG PRO A 78 14.869 23.488 -21.092 1.00 0.00 C ATOM 1223 CD PRO A 78 13.938 22.691 -20.235 1.00 0.00 C ATOM 0 HA PRO A 78 16.375 23.836 -18.482 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.599 25.455 -20.299 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.274 25.005 -20.550 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.370 23.841 -21.994 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.721 22.888 -21.413 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.921 23.081 -20.268 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.890 21.648 -20.548 1.00 0.00 H new ATOM 1231 N SER A 79 15.299 26.252 -17.800 1.00 0.00 N ATOM 1232 CA SER A 79 14.893 27.243 -16.811 1.00 0.00 C ATOM 1233 C SER A 79 15.257 28.645 -17.276 1.00 0.00 C ATOM 1234 O SER A 79 16.432 28.982 -17.399 1.00 0.00 O ATOM 1235 CB SER A 79 15.550 26.965 -15.451 1.00 0.00 C ATOM 1236 OG SER A 79 15.106 25.736 -14.895 1.00 0.00 O ATOM 0 H SER A 79 15.996 26.583 -18.467 1.00 0.00 H new ATOM 0 HA SER A 79 13.811 27.173 -16.698 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.633 26.941 -15.568 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.322 27.779 -14.763 1.00 0.00 H new ATOM 0 HG SER A 79 14.418 25.345 -15.473 1.00 0.00 H new ATOM 1242 N CYS A 80 14.241 29.454 -17.537 1.00 0.00 N ATOM 1243 CA CYS A 80 14.452 30.840 -17.926 1.00 0.00 C ATOM 1244 C CYS A 80 14.842 31.655 -16.700 1.00 0.00 C ATOM 1245 O CYS A 80 15.440 32.728 -16.803 1.00 0.00 O ATOM 1246 CB CYS A 80 13.176 31.412 -18.560 1.00 0.00 C ATOM 1247 SG CYS A 80 12.589 30.505 -20.035 1.00 0.00 S ATOM 0 H CYS A 80 13.261 29.174 -17.486 1.00 0.00 H new ATOM 0 HA CYS A 80 15.255 30.890 -18.661 1.00 0.00 H new ATOM 0 HB2 CYS A 80 12.383 31.415 -17.812 1.00 0.00 H new ATOM 0 HB3 CYS A 80 13.357 32.451 -18.836 1.00 0.00 H new ATOM 1252 N ASP A 81 14.518 31.102 -15.537 1.00 0.00 N ATOM 1253 CA ASP A 81 14.751 31.756 -14.259 1.00 0.00 C ATOM 1254 C ASP A 81 16.198 31.577 -13.826 1.00 0.00 C ATOM 1255 O ASP A 81 16.529 30.659 -13.074 1.00 0.00 O ATOM 1256 CB ASP A 81 13.822 31.164 -13.197 1.00 0.00 C ATOM 1257 CG ASP A 81 12.418 30.949 -13.720 1.00 0.00 C ATOM 1258 OD1 ASP A 81 12.181 29.917 -14.382 1.00 0.00 O1- ATOM 1259 OD2 ASP A 81 11.546 31.809 -13.485 1.00 0.00 O1- ATOM 0 H ASP A 81 14.084 30.182 -15.456 1.00 0.00 H new ATOM 0 HA ASP A 81 14.546 32.821 -14.371 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.228 30.214 -12.851 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.788 31.830 -12.334 1.00 0.00 H new ATOM 1264 N SER A 82 17.060 32.443 -14.322 1.00 0.00 N ATOM 1265 CA SER A 82 18.471 32.406 -13.981 1.00 0.00 C ATOM 1266 C SER A 82 19.062 33.803 -14.092 1.00 0.00 C ATOM 1267 O SER A 82 19.161 34.486 -13.053 1.00 0.00 O ATOM 1268 CB SER A 82 19.218 31.427 -14.894 1.00 0.00 C ATOM 1269 OG SER A 82 18.685 30.115 -14.779 1.00 0.00 O ATOM 1270 OXT SER A 82 19.383 34.227 -15.223 1.00 0.00 O1- ATOM 0 H SER A 82 16.805 33.189 -14.969 1.00 0.00 H new ATOM 0 HA SER A 82 18.580 32.059 -12.954 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.147 31.763 -15.929 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.276 31.417 -14.634 1.00 0.00 H new ATOM 0 HG SER A 82 19.177 29.509 -15.372 1.00 0.00 H new TER 1276 SER A 82