USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=24 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 3 LYS NZ :NH3+ -120:sc= 1.48 (180deg=-0.259) USER MOD Set 1.2: A 8 ASN : amide:sc= 1.1 K(o=2,f=-7.1!) USER MOD Set 1.3: A 45 ASN : amide:sc= -0.564 K(o=2,f=-6.4!) USER MOD Set 2.1: A 23 GLN : amide:sc= -1.52! C(o=-7.8!,f=-13!) USER MOD Set 2.2: A 28 GLN : amide:sc= 0.967 K(o=-7.8,f=-6.5) USER MOD Set 2.3: A 33 HIS : no HD1:sc= -7.24! C(o=-7.8!,f=-6.5!) USER MOD Set 3.1: A 24 HIS : no HD1:sc= -0.021 K(o=-4.5,f=-2.8) USER MOD Set 3.2: A 49 ASN : amide:sc= -4.44! C(o=-4.5!,f=-1.8!) USER MOD Set 4.1: A 16 THR OG1 : rot 14:sc= -1.23! USER MOD Set 4.2: A 20 HIS : no HD1:sc= -2.77! C(o=-4!,f=-6.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0224 USER MOD Single : A 9 TYR OH : rot 50:sc= 0 USER MOD Single : A -1 GLN : amide:sc= -0.817 K(o=-0.82,f=-6!) USER MOD Single : A -2 TYR OH : rot 180:sc= 0 USER MOD Single : A -3 THR N :NH3+ -147:sc= 0.0148 (180deg=-0.0595) USER MOD Single : A -3 THR OG1 : rot 42:sc= 0.22 USER MOD Single : A 12 ASN : amide:sc= -11.1! C(o=-11!,f=-7.8!) USER MOD Single : A 18 SER OG : rot 110:sc= 0.941 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0753 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.926 X(o=-0.93,f=-1) USER MOD Single : A 32 THR OG1 : rot 54:sc= 0.0762 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= 0.125 K(o=0.13,f=-0.64) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= 1.17 (180deg=1.11) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 1.56 K(o=1.6,f=-14!) USER MOD Single : A 57 LYS NZ :NH3+ -109:sc= 1.85 (180deg=-1.07) USER MOD Single : A 64 HIS : no HD1:sc= -2.11 K(o=-2.1,f=-2.9) USER MOD Single : A 65 THR OG1 : rot -89:sc= 0.494 USER MOD Single : A 66 THR OG1 : rot 140:sc= -2.74! USER MOD Single : A 67 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.11) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0834 X(o=-0.083,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.054 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -3 15.000 22.747 -27.670 1.00 0.00 N ATOM 2 CA THR A -3 13.935 23.347 -26.836 1.00 0.00 C ATOM 3 C THR A -3 14.437 24.603 -26.134 1.00 0.00 C ATOM 4 O THR A -3 15.389 24.549 -25.354 1.00 0.00 O ATOM 5 CB THR A -3 13.412 22.343 -25.781 1.00 0.00 C ATOM 6 OG1 THR A -3 14.496 21.779 -25.028 1.00 0.00 O ATOM 7 CG2 THR A -3 12.621 21.226 -26.440 1.00 0.00 C ATOM 0 H1 THR A -3 14.575 22.304 -28.510 1.00 0.00 H new ATOM 0 H2 THR A -3 15.666 23.488 -27.969 1.00 0.00 H new ATOM 0 H3 THR A -3 15.509 22.027 -27.118 1.00 0.00 H new ATOM 0 HA THR A -3 13.115 23.612 -27.503 1.00 0.00 H new ATOM 0 HB THR A -3 12.757 22.892 -25.105 1.00 0.00 H new ATOM 0 HG1 THR A -3 15.143 22.482 -24.809 1.00 0.00 H new ATOM 0 HG21 THR A -3 12.264 20.534 -25.677 1.00 0.00 H new ATOM 0 HG22 THR A -3 11.769 21.649 -26.973 1.00 0.00 H new ATOM 0 HG23 THR A -3 13.261 20.693 -27.143 1.00 0.00 H new ATOM 17 N TYR A -2 13.803 25.733 -26.414 1.00 0.00 N ATOM 18 CA TYR A -2 14.206 26.996 -25.811 1.00 0.00 C ATOM 19 C TYR A -2 13.171 27.464 -24.784 1.00 0.00 C ATOM 20 O TYR A -2 13.290 28.549 -24.215 1.00 0.00 O ATOM 21 CB TYR A -2 14.419 28.054 -26.902 1.00 0.00 C ATOM 22 CG TYR A -2 15.052 29.339 -26.407 1.00 0.00 C ATOM 23 CD1 TYR A -2 16.293 29.327 -25.784 1.00 0.00 C ATOM 24 CD2 TYR A -2 14.409 30.560 -26.567 1.00 0.00 C ATOM 25 CE1 TYR A -2 16.875 30.495 -25.330 1.00 0.00 C ATOM 26 CE2 TYR A -2 14.985 31.734 -26.117 1.00 0.00 C ATOM 27 CZ TYR A -2 16.217 31.695 -25.498 1.00 0.00 C ATOM 28 OH TYR A -2 16.795 32.861 -25.045 1.00 0.00 O ATOM 0 H TYR A -2 13.010 25.801 -27.052 1.00 0.00 H new ATOM 0 HA TYR A -2 15.149 26.848 -25.285 1.00 0.00 H new ATOM 0 HB2 TYR A -2 15.048 27.631 -27.685 1.00 0.00 H new ATOM 0 HB3 TYR A -2 13.457 28.288 -27.358 1.00 0.00 H new ATOM 0 HD1 TYR A -2 16.812 28.389 -25.652 1.00 0.00 H new ATOM 0 HD2 TYR A -2 13.444 30.593 -27.051 1.00 0.00 H new ATOM 0 HE1 TYR A -2 17.840 30.468 -24.846 1.00 0.00 H new ATOM 0 HE2 TYR A -2 14.473 32.676 -26.249 1.00 0.00 H new ATOM 0 HH TYR A -2 16.204 33.617 -25.242 1.00 0.00 H new ATOM 38 N GLN A -1 12.155 26.641 -24.537 1.00 0.00 N ATOM 39 CA GLN A -1 11.153 26.965 -23.528 1.00 0.00 C ATOM 40 C GLN A -1 11.710 26.628 -22.140 1.00 0.00 C ATOM 41 O GLN A -1 12.862 26.210 -22.021 1.00 0.00 O ATOM 42 CB GLN A -1 9.861 26.195 -23.796 1.00 0.00 C ATOM 43 CG GLN A -1 9.567 25.976 -25.264 1.00 0.00 C ATOM 44 CD GLN A -1 9.888 24.560 -25.662 1.00 0.00 C ATOM 45 OE1 GLN A -1 11.010 24.251 -26.050 1.00 0.00 O ATOM 46 NE2 GLN A -1 8.905 23.685 -25.544 1.00 0.00 N ATOM 0 H GLN A -1 12.005 25.754 -25.017 1.00 0.00 H new ATOM 0 HA GLN A -1 10.923 28.030 -23.571 1.00 0.00 H new ATOM 0 HB2 GLN A -1 9.918 25.226 -23.299 1.00 0.00 H new ATOM 0 HB3 GLN A -1 9.028 26.736 -23.346 1.00 0.00 H new ATOM 0 HG2 GLN A -1 8.517 26.187 -25.466 1.00 0.00 H new ATOM 0 HG3 GLN A -1 10.153 26.671 -25.866 1.00 0.00 H new ATOM 0 HE21 GLN A -1 7.988 23.989 -25.217 1.00 0.00 H new ATOM 0 HE22 GLN A -1 9.063 22.705 -25.780 1.00 0.00 H new ATOM 55 N CYS A 1 10.901 26.761 -21.095 1.00 0.00 N ATOM 56 CA CYS A 1 11.431 26.683 -19.739 1.00 0.00 C ATOM 57 C CYS A 1 10.385 26.175 -18.753 1.00 0.00 C ATOM 58 O CYS A 1 9.193 26.145 -19.057 1.00 0.00 O ATOM 59 CB CYS A 1 11.959 28.054 -19.307 1.00 0.00 C ATOM 60 SG CYS A 1 10.803 29.439 -19.590 1.00 0.00 S ATOM 0 H CYS A 1 9.895 26.920 -21.157 1.00 0.00 H new ATOM 0 HA CYS A 1 12.252 25.966 -19.738 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.206 28.016 -18.246 1.00 0.00 H new ATOM 0 HB3 CYS A 1 12.886 28.257 -19.843 1.00 0.00 H new ATOM 65 N LEU A 2 10.854 25.735 -17.590 1.00 0.00 N ATOM 66 CA LEU A 2 9.992 25.171 -16.555 1.00 0.00 C ATOM 67 C LEU A 2 9.357 26.255 -15.693 1.00 0.00 C ATOM 68 O LEU A 2 9.853 27.379 -15.618 1.00 0.00 O ATOM 69 CB LEU A 2 10.816 24.236 -15.674 1.00 0.00 C ATOM 70 CG LEU A 2 10.064 23.429 -14.637 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.059 22.532 -15.315 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.040 22.618 -13.801 1.00 0.00 C ATOM 0 H LEU A 2 11.842 25.759 -17.338 1.00 0.00 H new ATOM 0 HA LEU A 2 9.187 24.624 -17.045 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.349 23.541 -16.323 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.569 24.832 -15.159 1.00 0.00 H new ATOM 0 HG LEU A 2 9.527 24.106 -13.973 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.521 21.954 -14.563 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.352 23.139 -15.880 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.576 21.853 -15.993 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.490 22.041 -13.058 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.597 21.940 -14.448 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.734 23.291 -13.297 1.00 0.00 H new ATOM 84 N LYS A 3 8.280 25.880 -15.014 1.00 0.00 N ATOM 85 CA LYS A 3 7.523 26.794 -14.175 1.00 0.00 C ATOM 86 C LYS A 3 7.719 26.446 -12.699 1.00 0.00 C ATOM 87 O LYS A 3 6.759 26.184 -11.970 1.00 0.00 O ATOM 88 CB LYS A 3 6.035 26.724 -14.547 1.00 0.00 C ATOM 89 CG LYS A 3 5.441 25.329 -14.400 1.00 0.00 C ATOM 90 CD LYS A 3 3.942 25.307 -14.644 1.00 0.00 C ATOM 91 CE LYS A 3 3.209 26.307 -13.758 1.00 0.00 C ATOM 92 NZ LYS A 3 1.735 26.246 -13.942 1.00 0.00 N1+ ATOM 0 H LYS A 3 7.908 24.930 -15.031 1.00 0.00 H new ATOM 0 HA LYS A 3 7.883 27.810 -14.339 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.477 27.417 -13.917 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.909 27.058 -15.577 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.930 24.653 -15.102 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.648 24.953 -13.398 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.741 25.534 -15.691 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.558 24.305 -14.455 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.451 26.110 -12.714 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.560 27.314 -13.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.387 27.171 -14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.503 25.520 -14.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.282 26.004 -13.038 1.00 0.00 H new ATOM 106 N GLY A 4 8.968 26.413 -12.267 1.00 0.00 N ATOM 107 CA GLY A 4 9.257 26.094 -10.885 1.00 0.00 C ATOM 108 C GLY A 4 9.182 24.604 -10.617 1.00 0.00 C ATOM 109 O GLY A 4 10.185 23.905 -10.721 1.00 0.00 O ATOM 0 H GLY A 4 9.786 26.601 -12.846 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.252 26.458 -10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.551 26.614 -10.238 1.00 0.00 H new ATOM 113 N THR A 5 7.994 24.121 -10.272 1.00 0.00 N ATOM 114 CA THR A 5 7.780 22.695 -10.068 1.00 0.00 C ATOM 115 C THR A 5 7.381 22.009 -11.369 1.00 0.00 C ATOM 116 O THR A 5 7.568 20.807 -11.534 1.00 0.00 O ATOM 117 CB THR A 5 6.706 22.434 -8.999 1.00 0.00 C ATOM 118 OG1 THR A 5 5.589 23.315 -9.197 1.00 0.00 O ATOM 119 CG2 THR A 5 7.277 22.621 -7.603 1.00 0.00 C ATOM 0 H THR A 5 7.165 24.697 -10.128 1.00 0.00 H new ATOM 0 HA THR A 5 8.725 22.277 -9.721 1.00 0.00 H new ATOM 0 HB THR A 5 6.368 21.402 -9.096 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.909 23.140 -8.513 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.499 22.431 -6.863 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.101 21.924 -7.450 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.641 23.642 -7.493 1.00 0.00 H new ATOM 127 N GLY A 6 6.836 22.798 -12.293 1.00 0.00 N ATOM 128 CA GLY A 6 6.478 22.292 -13.600 1.00 0.00 C ATOM 129 C GLY A 6 5.264 21.404 -13.603 1.00 0.00 C ATOM 130 O GLY A 6 5.344 20.252 -14.017 1.00 0.00 O ATOM 0 H GLY A 6 6.636 23.788 -12.153 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.300 23.135 -14.268 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.323 21.736 -14.006 1.00 0.00 H new ATOM 134 N GLU A 7 4.136 21.946 -13.178 1.00 0.00 N ATOM 135 CA GLU A 7 2.886 21.201 -13.198 1.00 0.00 C ATOM 136 C GLU A 7 2.569 20.787 -14.624 1.00 0.00 C ATOM 137 O GLU A 7 2.608 19.611 -14.984 1.00 0.00 O ATOM 138 CB GLU A 7 1.748 22.072 -12.684 1.00 0.00 C ATOM 139 CG GLU A 7 2.026 22.733 -11.354 1.00 0.00 C ATOM 140 CD GLU A 7 1.058 23.861 -11.093 1.00 0.00 C ATOM 141 OE1 GLU A 7 1.263 24.955 -11.655 1.00 0.00 O ATOM 142 OE2 GLU A 7 0.075 23.651 -10.360 1.00 0.00 O1- ATOM 0 H GLU A 7 4.058 22.896 -12.816 1.00 0.00 H new ATOM 0 HA GLU A 7 2.991 20.322 -12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.534 22.844 -13.423 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.850 21.461 -12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.952 21.995 -10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.047 23.116 -11.341 1.00 0.00 H new ATOM 149 N ASN A 8 2.269 21.794 -15.425 1.00 0.00 N ATOM 150 CA ASN A 8 1.951 21.616 -16.827 1.00 0.00 C ATOM 151 C ASN A 8 2.827 22.521 -17.691 1.00 0.00 C ATOM 152 O ASN A 8 2.471 22.842 -18.821 1.00 0.00 O ATOM 153 CB ASN A 8 0.470 21.913 -17.070 1.00 0.00 C ATOM 154 CG ASN A 8 0.078 23.333 -16.684 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.718 23.967 -15.840 1.00 0.00 O ATOM 156 ND2 ASN A 8 -0.990 23.830 -17.281 1.00 0.00 N ATOM 0 H ASN A 8 2.240 22.766 -15.116 1.00 0.00 H new ATOM 0 HA ASN A 8 2.150 20.581 -17.104 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.241 21.752 -18.123 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.135 21.207 -16.501 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.313 24.770 -17.050 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.492 23.274 -17.974 1.00 0.00 H new ATOM 163 N TYR A 9 3.989 22.881 -17.110 1.00 0.00 N ATOM 164 CA TYR A 9 4.994 23.801 -17.695 1.00 0.00 C ATOM 165 C TYR A 9 4.759 24.140 -19.180 1.00 0.00 C ATOM 166 O TYR A 9 4.125 25.145 -19.486 1.00 0.00 O ATOM 167 CB TYR A 9 6.420 23.250 -17.460 1.00 0.00 C ATOM 168 CG TYR A 9 6.731 21.919 -18.133 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.849 20.845 -18.073 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.907 21.753 -18.852 1.00 0.00 C ATOM 171 CE1 TYR A 9 6.131 19.653 -18.705 1.00 0.00 C ATOM 172 CE2 TYR A 9 8.193 20.564 -19.491 1.00 0.00 C ATOM 173 CZ TYR A 9 7.304 19.518 -19.415 1.00 0.00 C ATOM 174 OH TYR A 9 7.578 18.340 -20.068 1.00 0.00 O ATOM 0 H TYR A 9 4.266 22.531 -16.193 1.00 0.00 H new ATOM 0 HA TYR A 9 4.879 24.750 -17.172 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.139 23.991 -17.811 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.575 23.139 -16.387 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.926 20.947 -17.521 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.611 22.570 -18.912 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.436 18.829 -18.644 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.112 20.455 -20.049 1.00 0.00 H new ATOM 0 HH TYR A 9 6.805 18.080 -20.612 1.00 0.00 H new ATOM 184 N ARG A 10 5.296 23.333 -20.093 1.00 0.00 N ATOM 185 CA ARG A 10 4.987 23.467 -21.510 1.00 0.00 C ATOM 186 C ARG A 10 4.281 22.203 -21.999 1.00 0.00 C ATOM 187 O ARG A 10 3.269 22.264 -22.692 1.00 0.00 O ATOM 188 CB ARG A 10 6.263 23.675 -22.335 1.00 0.00 C ATOM 189 CG ARG A 10 7.164 24.793 -21.857 1.00 0.00 C ATOM 190 CD ARG A 10 8.451 24.217 -21.298 1.00 0.00 C ATOM 191 NE ARG A 10 9.320 23.680 -22.352 1.00 0.00 N ATOM 192 CZ ARG A 10 10.588 23.295 -22.172 1.00 0.00 C ATOM 193 NH1 ARG A 10 11.185 23.486 -21.012 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 11.265 22.744 -23.168 1.00 0.00 N ATOM 0 H ARG A 10 5.948 22.580 -19.874 1.00 0.00 H new ATOM 0 HA ARG A 10 4.341 24.336 -21.637 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.832 22.746 -22.334 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.980 23.875 -23.368 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.387 25.470 -22.682 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.655 25.379 -21.092 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.985 24.992 -20.748 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.214 23.426 -20.586 1.00 0.00 H new ATOM 0 HE ARG A 10 8.928 23.594 -23.290 1.00 0.00 H new ATOM 0 HH11 ARG A 10 10.680 23.930 -20.245 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.152 23.190 -20.881 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.819 22.612 -24.076 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.232 22.452 -23.027 1.00 0.00 H new ATOM 208 N GLY A 11 4.830 21.053 -21.616 1.00 0.00 N ATOM 209 CA GLY A 11 4.285 19.782 -22.056 1.00 0.00 C ATOM 210 C GLY A 11 4.962 19.288 -23.313 1.00 0.00 C ATOM 211 O GLY A 11 4.325 19.151 -24.355 1.00 0.00 O ATOM 0 H GLY A 11 5.645 20.980 -21.007 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.403 19.042 -21.264 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.215 19.888 -22.237 1.00 0.00 H new ATOM 215 N ASN A 12 6.259 19.030 -23.221 1.00 0.00 N ATOM 216 CA ASN A 12 7.035 18.629 -24.391 1.00 0.00 C ATOM 217 C ASN A 12 7.912 17.410 -24.102 1.00 0.00 C ATOM 218 O ASN A 12 7.810 16.401 -24.797 1.00 0.00 O ATOM 219 CB ASN A 12 7.873 19.808 -24.900 1.00 0.00 C ATOM 220 CG ASN A 12 8.726 20.437 -23.823 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.887 20.093 -23.645 1.00 0.00 O ATOM 222 ND2 ASN A 12 8.153 21.372 -23.096 1.00 0.00 N ATOM 0 H ASN A 12 6.795 19.090 -22.355 1.00 0.00 H new ATOM 0 HA ASN A 12 6.335 18.336 -25.174 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.516 19.466 -25.711 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.209 20.565 -25.317 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.679 21.836 -22.355 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.183 21.633 -23.273 1.00 0.00 H new ATOM 229 N VAL A 13 8.774 17.499 -23.090 1.00 0.00 N ATOM 230 CA VAL A 13 9.617 16.376 -22.711 1.00 0.00 C ATOM 231 C VAL A 13 8.780 15.188 -22.234 1.00 0.00 C ATOM 232 O VAL A 13 7.943 15.320 -21.337 1.00 0.00 O ATOM 233 CB VAL A 13 10.609 16.798 -21.611 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.419 15.612 -21.122 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.526 17.894 -22.124 1.00 0.00 C ATOM 0 H VAL A 13 8.904 18.336 -22.522 1.00 0.00 H new ATOM 0 HA VAL A 13 10.174 16.065 -23.595 1.00 0.00 H new ATOM 0 HB VAL A 13 10.038 17.184 -20.767 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.111 15.939 -20.346 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.748 14.856 -20.714 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.981 15.187 -21.954 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.222 18.184 -21.337 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.084 17.528 -22.986 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.931 18.759 -22.418 1.00 0.00 H new ATOM 245 N ALA A 14 9.011 14.034 -22.849 1.00 0.00 N ATOM 246 CA ALA A 14 8.280 12.815 -22.525 1.00 0.00 C ATOM 247 C ALA A 14 9.248 11.704 -22.128 1.00 0.00 C ATOM 248 O ALA A 14 8.902 10.517 -22.112 1.00 0.00 O ATOM 249 CB ALA A 14 7.432 12.392 -23.714 1.00 0.00 C ATOM 0 H ALA A 14 9.708 13.917 -23.584 1.00 0.00 H new ATOM 0 HA ALA A 14 7.622 13.009 -21.678 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.888 11.481 -23.467 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.723 13.184 -23.955 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.077 12.208 -24.573 1.00 0.00 H new ATOM 255 N VAL A 15 10.468 12.107 -21.820 1.00 0.00 N ATOM 256 CA VAL A 15 11.510 11.192 -21.389 1.00 0.00 C ATOM 257 C VAL A 15 12.177 11.758 -20.144 1.00 0.00 C ATOM 258 O VAL A 15 12.415 12.963 -20.057 1.00 0.00 O ATOM 259 CB VAL A 15 12.563 10.982 -22.503 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.735 10.147 -22.004 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.924 10.321 -23.715 1.00 0.00 C ATOM 0 H VAL A 15 10.765 13.082 -21.862 1.00 0.00 H new ATOM 0 HA VAL A 15 11.061 10.224 -21.167 1.00 0.00 H new ATOM 0 HB VAL A 15 12.946 11.961 -22.793 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.458 10.017 -22.809 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.213 10.655 -21.166 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.374 9.171 -21.679 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.676 10.179 -24.491 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.513 9.353 -23.427 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.124 10.956 -24.096 1.00 0.00 H new ATOM 271 N THR A 16 12.469 10.888 -19.188 1.00 0.00 N ATOM 272 CA THR A 16 13.039 11.299 -17.911 1.00 0.00 C ATOM 273 C THR A 16 14.379 12.016 -18.096 1.00 0.00 C ATOM 274 O THR A 16 14.891 12.107 -19.214 1.00 0.00 O ATOM 275 CB THR A 16 13.245 10.077 -16.997 1.00 0.00 C ATOM 276 OG1 THR A 16 14.216 9.195 -17.580 1.00 0.00 O ATOM 277 CG2 THR A 16 11.937 9.325 -16.793 1.00 0.00 C ATOM 0 H THR A 16 12.319 9.883 -19.274 1.00 0.00 H new ATOM 0 HA THR A 16 12.334 11.992 -17.451 1.00 0.00 H new ATOM 0 HB THR A 16 13.599 10.429 -16.028 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.688 9.660 -18.303 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.108 8.466 -16.144 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.204 9.988 -16.332 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.560 8.982 -17.757 1.00 0.00 H new ATOM 285 N VAL A 17 14.953 12.522 -17.012 1.00 0.00 N ATOM 286 CA VAL A 17 16.269 13.146 -17.080 1.00 0.00 C ATOM 287 C VAL A 17 17.302 12.133 -17.582 1.00 0.00 C ATOM 288 O VAL A 17 18.238 12.478 -18.306 1.00 0.00 O ATOM 289 CB VAL A 17 16.694 13.733 -15.710 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.710 12.662 -14.629 1.00 0.00 C ATOM 291 CG2 VAL A 17 18.049 14.421 -15.805 1.00 0.00 C ATOM 0 H VAL A 17 14.533 12.513 -16.083 1.00 0.00 H new ATOM 0 HA VAL A 17 16.215 13.976 -17.784 1.00 0.00 H new ATOM 0 HB VAL A 17 15.952 14.481 -15.430 1.00 0.00 H new ATOM 0 HG11 VAL A 17 17.012 13.107 -13.681 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.713 12.233 -14.527 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.416 11.878 -14.904 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.322 14.823 -14.829 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.802 13.700 -16.124 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.995 15.233 -16.530 1.00 0.00 H new ATOM 301 N SER A 18 17.095 10.877 -17.216 1.00 0.00 N ATOM 302 CA SER A 18 17.912 9.786 -17.709 1.00 0.00 C ATOM 303 C SER A 18 17.245 9.172 -18.944 1.00 0.00 C ATOM 304 O SER A 18 16.224 9.670 -19.413 1.00 0.00 O ATOM 305 CB SER A 18 18.077 8.746 -16.604 1.00 0.00 C ATOM 306 OG SER A 18 18.447 9.360 -15.379 1.00 0.00 O ATOM 0 H SER A 18 16.359 10.589 -16.572 1.00 0.00 H new ATOM 0 HA SER A 18 18.899 10.151 -17.995 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.144 8.198 -16.473 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.835 8.019 -16.894 1.00 0.00 H new ATOM 0 HG SER A 18 17.698 9.310 -14.749 1.00 0.00 H new ATOM 312 N GLY A 19 17.791 8.075 -19.448 1.00 0.00 N ATOM 313 CA GLY A 19 17.286 7.494 -20.682 1.00 0.00 C ATOM 314 C GLY A 19 16.065 6.616 -20.475 1.00 0.00 C ATOM 315 O GLY A 19 15.860 5.646 -21.205 1.00 0.00 O ATOM 0 H GLY A 19 18.574 7.575 -19.027 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.035 8.295 -21.377 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.075 6.904 -21.147 1.00 0.00 H new ATOM 319 N HIS A 20 15.252 6.956 -19.484 1.00 0.00 N ATOM 320 CA HIS A 20 14.054 6.185 -19.177 1.00 0.00 C ATOM 321 C HIS A 20 12.848 6.735 -19.931 1.00 0.00 C ATOM 322 O HIS A 20 12.576 7.934 -19.890 1.00 0.00 O ATOM 323 CB HIS A 20 13.758 6.203 -17.674 1.00 0.00 C ATOM 324 CG HIS A 20 14.900 5.768 -16.813 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.609 6.633 -16.005 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.452 4.548 -16.627 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.549 5.961 -15.367 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.472 4.697 -15.727 1.00 0.00 N ATOM 0 H HIS A 20 15.400 7.763 -18.877 1.00 0.00 H new ATOM 0 HA HIS A 20 14.239 5.158 -19.491 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.466 7.213 -17.386 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.903 5.556 -17.477 1.00 0.00 H new ATOM 0 HD2 HIS A 20 15.145 3.627 -17.101 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.260 6.377 -14.669 1.00 0.00 H new ATOM 0 HE2 HIS A 20 17.076 3.948 -15.389 1.00 0.00 H new ATOM 337 N THR A 21 12.134 5.855 -20.610 1.00 0.00 N ATOM 338 CA THR A 21 10.905 6.217 -21.296 1.00 0.00 C ATOM 339 C THR A 21 9.797 6.492 -20.290 1.00 0.00 C ATOM 340 O THR A 21 9.513 5.650 -19.433 1.00 0.00 O ATOM 341 CB THR A 21 10.462 5.081 -22.240 1.00 0.00 C ATOM 342 OG1 THR A 21 11.420 4.912 -23.293 1.00 0.00 O ATOM 343 CG2 THR A 21 9.077 5.340 -22.818 1.00 0.00 C ATOM 0 H THR A 21 12.388 4.871 -20.702 1.00 0.00 H new ATOM 0 HA THR A 21 11.095 7.118 -21.879 1.00 0.00 H new ATOM 0 HB THR A 21 10.408 4.162 -21.656 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.130 4.187 -23.886 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.799 4.518 -23.478 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.353 5.415 -22.007 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.087 6.272 -23.383 1.00 0.00 H new ATOM 351 N CYS A 22 9.206 7.679 -20.360 1.00 0.00 N ATOM 352 CA CYS A 22 8.070 7.993 -19.515 1.00 0.00 C ATOM 353 C CYS A 22 6.853 7.162 -19.907 1.00 0.00 C ATOM 354 O CYS A 22 6.389 7.212 -21.045 1.00 0.00 O ATOM 355 CB CYS A 22 7.727 9.476 -19.574 1.00 0.00 C ATOM 356 SG CYS A 22 8.880 10.550 -18.666 1.00 0.00 S ATOM 0 H CYS A 22 9.494 8.430 -20.987 1.00 0.00 H new ATOM 0 HA CYS A 22 8.350 7.746 -18.491 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.703 9.790 -20.618 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.723 9.621 -19.174 1.00 0.00 H new ATOM 361 N GLN A 23 6.385 6.363 -18.971 1.00 0.00 N ATOM 362 CA GLN A 23 5.129 5.638 -19.097 1.00 0.00 C ATOM 363 C GLN A 23 3.944 6.604 -19.046 1.00 0.00 C ATOM 364 O GLN A 23 3.982 7.611 -18.333 1.00 0.00 O ATOM 365 CB GLN A 23 5.041 4.636 -17.954 1.00 0.00 C ATOM 366 CG GLN A 23 3.697 3.965 -17.794 1.00 0.00 C ATOM 367 CD GLN A 23 3.364 3.772 -16.350 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.810 2.829 -15.713 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.543 4.651 -15.832 1.00 0.00 N ATOM 0 H GLN A 23 6.869 6.194 -18.089 1.00 0.00 H new ATOM 0 HA GLN A 23 5.096 5.119 -20.055 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.798 3.867 -18.106 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.288 5.147 -17.023 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.926 4.569 -18.271 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.705 3.000 -18.301 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.196 5.422 -16.402 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.251 4.564 -14.859 1.00 0.00 H new ATOM 378 N HIS A 24 2.895 6.279 -19.797 1.00 0.00 N ATOM 379 CA HIS A 24 1.709 7.129 -19.901 1.00 0.00 C ATOM 380 C HIS A 24 0.988 7.291 -18.570 1.00 0.00 C ATOM 381 O HIS A 24 0.895 6.360 -17.768 1.00 0.00 O ATOM 382 CB HIS A 24 0.725 6.559 -20.921 1.00 0.00 C ATOM 383 CG HIS A 24 1.190 6.663 -22.336 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.184 5.870 -22.854 1.00 0.00 N ATOM 385 CD2 HIS A 24 0.796 7.478 -23.342 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.387 6.191 -24.114 1.00 0.00 C ATOM 387 NE2 HIS A 24 1.556 7.166 -24.439 1.00 0.00 N ATOM 0 H HIS A 24 2.841 5.423 -20.349 1.00 0.00 H new ATOM 0 HA HIS A 24 2.064 8.108 -20.222 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.540 5.511 -20.686 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.227 7.080 -20.823 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.026 8.234 -23.290 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.111 5.734 -24.772 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.491 7.612 -25.354 1.00 0.00 H new ATOM 396 N TRP A 25 0.486 8.500 -18.352 1.00 0.00 N ATOM 397 CA TRP A 25 -0.344 8.807 -17.196 1.00 0.00 C ATOM 398 C TRP A 25 -1.683 8.093 -17.305 1.00 0.00 C ATOM 399 O TRP A 25 -2.269 7.682 -16.306 1.00 0.00 O ATOM 400 CB TRP A 25 -0.586 10.310 -17.076 1.00 0.00 C ATOM 401 CG TRP A 25 0.668 11.117 -16.993 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.183 11.923 -17.961 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.567 11.197 -15.881 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.338 12.509 -17.519 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.603 12.071 -16.250 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.600 10.613 -14.613 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.656 12.379 -15.397 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.648 10.917 -13.767 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.667 11.791 -14.163 1.00 0.00 C ATOM 0 H TRP A 25 0.643 9.295 -18.972 1.00 0.00 H new ATOM 0 HA TRP A 25 0.185 8.464 -16.307 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.167 10.645 -17.936 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.190 10.502 -16.189 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.744 12.078 -18.936 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.909 13.166 -18.050 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.820 9.935 -14.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.439 13.059 -15.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.682 10.473 -12.783 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.477 12.005 -13.481 1.00 0.00 H new ATOM 420 N SER A 26 -2.163 7.970 -18.532 1.00 0.00 N ATOM 421 CA SER A 26 -3.437 7.330 -18.811 1.00 0.00 C ATOM 422 C SER A 26 -3.310 5.810 -18.794 1.00 0.00 C ATOM 423 O SER A 26 -4.307 5.087 -18.839 1.00 0.00 O ATOM 424 CB SER A 26 -3.932 7.812 -20.167 1.00 0.00 C ATOM 425 OG SER A 26 -2.885 7.758 -21.123 1.00 0.00 O ATOM 0 H SER A 26 -1.679 8.312 -19.363 1.00 0.00 H new ATOM 0 HA SER A 26 -4.153 7.600 -18.035 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.767 7.194 -20.497 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.305 8.833 -20.083 1.00 0.00 H new ATOM 0 HG SER A 26 -3.218 8.069 -21.991 1.00 0.00 H new ATOM 431 N ALA A 27 -2.078 5.328 -18.729 1.00 0.00 N ATOM 432 CA ALA A 27 -1.820 3.905 -18.686 1.00 0.00 C ATOM 433 C ALA A 27 -1.354 3.511 -17.298 1.00 0.00 C ATOM 434 O ALA A 27 -0.430 4.103 -16.748 1.00 0.00 O ATOM 435 CB ALA A 27 -0.784 3.519 -19.729 1.00 0.00 C ATOM 0 H ALA A 27 -1.240 5.909 -18.705 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.742 3.371 -18.913 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.603 2.445 -19.682 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.151 3.782 -20.721 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.146 4.053 -19.533 1.00 0.00 H new ATOM 441 N GLN A 28 -2.015 2.529 -16.722 1.00 0.00 N ATOM 442 CA GLN A 28 -1.661 2.040 -15.398 1.00 0.00 C ATOM 443 C GLN A 28 -0.653 0.904 -15.515 1.00 0.00 C ATOM 444 O GLN A 28 -0.356 0.205 -14.550 1.00 0.00 O ATOM 445 CB GLN A 28 -2.918 1.581 -14.658 1.00 0.00 C ATOM 446 CG GLN A 28 -3.835 2.719 -14.229 1.00 0.00 C ATOM 447 CD GLN A 28 -3.452 3.277 -12.884 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.958 2.846 -11.851 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.533 4.223 -12.884 1.00 0.00 N ATOM 0 H GLN A 28 -2.806 2.048 -17.150 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.202 2.847 -14.827 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.477 0.900 -15.300 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.621 1.015 -13.775 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.799 3.514 -14.974 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.864 2.361 -14.193 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.139 4.552 -13.766 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.216 4.626 -12.002 1.00 0.00 H new ATOM 458 N THR A 29 -0.137 0.746 -16.719 1.00 0.00 N ATOM 459 CA THR A 29 0.899 -0.226 -17.015 1.00 0.00 C ATOM 460 C THR A 29 2.054 0.507 -17.697 1.00 0.00 C ATOM 461 O THR A 29 1.809 1.442 -18.460 1.00 0.00 O ATOM 462 CB THR A 29 0.348 -1.328 -17.950 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.910 -1.800 -17.451 1.00 0.00 O ATOM 464 CG2 THR A 29 1.315 -2.498 -18.072 1.00 0.00 C ATOM 0 H THR A 29 -0.428 1.295 -17.528 1.00 0.00 H new ATOM 0 HA THR A 29 1.241 -0.701 -16.095 1.00 0.00 H new ATOM 0 HB THR A 29 0.219 -0.891 -18.940 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.257 -2.497 -18.046 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.893 -3.251 -18.737 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.263 -2.146 -18.479 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.483 -2.936 -17.088 1.00 0.00 H new ATOM 472 N PRO A 30 3.326 0.131 -17.453 1.00 0.00 N ATOM 473 CA PRO A 30 3.720 -0.974 -16.557 1.00 0.00 C ATOM 474 C PRO A 30 3.436 -0.734 -15.063 1.00 0.00 C ATOM 475 O PRO A 30 2.996 -1.644 -14.363 1.00 0.00 O ATOM 476 CB PRO A 30 5.233 -1.094 -16.788 1.00 0.00 C ATOM 477 CG PRO A 30 5.661 0.223 -17.343 1.00 0.00 C ATOM 478 CD PRO A 30 4.492 0.752 -18.107 1.00 0.00 C ATOM 0 HA PRO A 30 3.142 -1.869 -16.788 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.755 -1.315 -15.857 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.460 -1.904 -17.481 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.946 0.908 -16.544 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.530 0.109 -17.991 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.444 1.840 -18.059 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.549 0.481 -19.161 1.00 0.00 H new ATOM 486 N HIS A 31 3.687 0.475 -14.584 1.00 0.00 N ATOM 487 CA HIS A 31 3.617 0.761 -13.151 1.00 0.00 C ATOM 488 C HIS A 31 2.229 1.231 -12.718 1.00 0.00 C ATOM 489 O HIS A 31 1.655 2.149 -13.310 1.00 0.00 O ATOM 490 CB HIS A 31 4.677 1.796 -12.760 1.00 0.00 C ATOM 491 CG HIS A 31 6.068 1.243 -12.760 1.00 0.00 C ATOM 492 ND1 HIS A 31 7.023 1.577 -13.694 1.00 0.00 N ATOM 493 CD2 HIS A 31 6.661 0.366 -11.919 1.00 0.00 C ATOM 494 CE1 HIS A 31 8.140 0.927 -13.429 1.00 0.00 C ATOM 495 NE2 HIS A 31 7.950 0.184 -12.356 1.00 0.00 N ATOM 0 H HIS A 31 3.941 1.276 -15.162 1.00 0.00 H new ATOM 0 HA HIS A 31 3.817 -0.174 -12.628 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.627 2.637 -13.452 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.447 2.185 -11.768 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.888 2.226 -14.470 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.205 -0.105 -11.061 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.057 0.992 -13.996 1.00 0.00 H new ATOM 504 N THR A 32 1.716 0.612 -11.658 1.00 0.00 N ATOM 505 CA THR A 32 0.395 0.929 -11.125 1.00 0.00 C ATOM 506 C THR A 32 0.425 2.184 -10.254 1.00 0.00 C ATOM 507 O THR A 32 0.589 2.125 -9.035 1.00 0.00 O ATOM 508 CB THR A 32 -0.163 -0.253 -10.317 1.00 0.00 C ATOM 509 OG1 THR A 32 0.856 -0.784 -9.458 1.00 0.00 O ATOM 510 CG2 THR A 32 -0.674 -1.346 -11.243 1.00 0.00 C ATOM 0 H THR A 32 2.204 -0.122 -11.145 1.00 0.00 H new ATOM 0 HA THR A 32 -0.259 1.121 -11.976 1.00 0.00 H new ATOM 0 HB THR A 32 -0.995 0.108 -9.712 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.229 -0.063 -8.909 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.064 -2.173 -10.649 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.467 -0.946 -11.874 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.143 -1.703 -11.870 1.00 0.00 H new ATOM 518 N HIS A 33 0.301 3.325 -10.902 1.00 0.00 N ATOM 519 CA HIS A 33 0.315 4.614 -10.216 1.00 0.00 C ATOM 520 C HIS A 33 -1.101 5.078 -9.907 1.00 0.00 C ATOM 521 O HIS A 33 -2.063 4.450 -10.320 1.00 0.00 O ATOM 522 CB HIS A 33 1.045 5.651 -11.075 1.00 0.00 C ATOM 523 CG HIS A 33 0.503 5.766 -12.470 1.00 0.00 C ATOM 524 ND1 HIS A 33 -0.189 6.864 -12.936 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.572 4.905 -13.510 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.524 6.665 -14.195 1.00 0.00 C ATOM 527 NE2 HIS A 33 -0.074 5.488 -14.565 1.00 0.00 N ATOM 0 H HIS A 33 0.188 3.392 -11.914 1.00 0.00 H new ATOM 0 HA HIS A 33 0.845 4.501 -9.270 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.980 6.624 -10.588 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.102 5.389 -11.125 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.049 3.936 -13.508 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.076 7.354 -14.818 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.188 5.075 -15.491 1.00 0.00 H new ATOM 536 N ASN A 34 -1.234 6.175 -9.178 1.00 0.00 N ATOM 537 CA ASN A 34 -2.537 6.809 -9.009 1.00 0.00 C ATOM 538 C ASN A 34 -2.471 8.273 -9.401 1.00 0.00 C ATOM 539 O ASN A 34 -3.344 9.065 -9.061 1.00 0.00 O ATOM 540 CB ASN A 34 -3.073 6.652 -7.587 1.00 0.00 C ATOM 541 CG ASN A 34 -3.400 5.208 -7.251 1.00 0.00 C ATOM 542 OD1 ASN A 34 -4.497 4.724 -7.537 1.00 0.00 O ATOM 543 ND2 ASN A 34 -2.456 4.512 -6.637 1.00 0.00 N ATOM 0 H ASN A 34 -0.466 6.643 -8.697 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.235 6.299 -9.673 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.335 7.029 -6.879 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.969 7.262 -7.469 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.624 3.538 -6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.561 4.949 -6.418 1.00 0.00 H new ATOM 550 N ARG A 36 -1.403 8.633 -10.103 1.00 0.00 N ATOM 551 CA ARG A 36 -1.330 9.935 -10.749 1.00 0.00 C ATOM 552 C ARG A 36 -1.789 9.792 -12.187 1.00 0.00 C ATOM 553 O ARG A 36 -0.988 9.517 -13.078 1.00 0.00 O ATOM 554 CB ARG A 36 0.085 10.534 -10.705 1.00 0.00 C ATOM 555 CG ARG A 36 0.488 11.095 -9.349 1.00 0.00 C ATOM 556 CD ARG A 36 0.759 9.986 -8.350 1.00 0.00 C ATOM 557 NE ARG A 36 0.816 10.477 -6.974 1.00 0.00 N ATOM 558 CZ ARG A 36 -0.013 10.083 -6.005 1.00 0.00 C ATOM 559 NH1 ARG A 36 -0.988 9.221 -6.265 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 0.125 10.571 -4.784 1.00 0.00 N ATOM 0 H ARG A 36 -0.581 8.045 -10.238 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.979 10.621 -10.205 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.801 9.765 -10.994 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.153 11.328 -11.448 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.379 11.713 -9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.304 11.742 -8.971 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.021 9.229 -8.431 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.702 9.499 -8.599 1.00 0.00 H new ATOM 0 HE ARG A 36 1.534 11.163 -6.740 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.107 8.856 -7.210 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.618 8.924 -5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.863 11.246 -4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.507 10.272 -4.041 1.00 0.00 H new ATOM 574 N THR A 37 -3.082 9.929 -12.386 1.00 0.00 N ATOM 575 CA THR A 37 -3.690 9.775 -13.690 1.00 0.00 C ATOM 576 C THR A 37 -4.476 11.037 -14.016 1.00 0.00 C ATOM 577 O THR A 37 -4.822 11.794 -13.109 1.00 0.00 O ATOM 578 CB THR A 37 -4.631 8.546 -13.706 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.571 8.657 -12.632 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.840 7.249 -13.560 1.00 0.00 C ATOM 0 H THR A 37 -3.745 10.152 -11.643 1.00 0.00 H new ATOM 0 HA THR A 37 -2.912 9.619 -14.437 1.00 0.00 H new ATOM 0 HB THR A 37 -5.155 8.522 -14.661 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.170 7.881 -12.640 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.525 6.401 -13.574 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.134 7.159 -14.385 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.295 7.259 -12.616 1.00 0.00 H new ATOM 588 N PRO A 38 -4.744 11.309 -15.302 1.00 0.00 N ATOM 589 CA PRO A 38 -5.545 12.468 -15.708 1.00 0.00 C ATOM 590 C PRO A 38 -6.942 12.450 -15.088 1.00 0.00 C ATOM 591 O PRO A 38 -7.651 13.456 -15.093 1.00 0.00 O ATOM 592 CB PRO A 38 -5.621 12.365 -17.234 1.00 0.00 C ATOM 593 CG PRO A 38 -5.086 11.019 -17.598 1.00 0.00 C ATOM 594 CD PRO A 38 -4.255 10.538 -16.450 1.00 0.00 C ATOM 0 HA PRO A 38 -5.097 13.402 -15.371 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.648 12.480 -17.579 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.036 13.155 -17.705 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.901 10.324 -17.798 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.487 11.078 -18.507 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.378 9.467 -16.291 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.194 10.715 -16.625 1.00 0.00 H new ATOM 602 N GLU A 39 -7.325 11.298 -14.553 1.00 0.00 N ATOM 603 CA GLU A 39 -8.576 11.156 -13.825 1.00 0.00 C ATOM 604 C GLU A 39 -8.446 11.761 -12.428 1.00 0.00 C ATOM 605 O GLU A 39 -9.404 12.296 -11.871 1.00 0.00 O ATOM 606 CB GLU A 39 -8.935 9.677 -13.690 1.00 0.00 C ATOM 607 CG GLU A 39 -9.044 8.937 -15.008 1.00 0.00 C ATOM 608 CD GLU A 39 -9.313 7.461 -14.810 1.00 0.00 C ATOM 609 OE1 GLU A 39 -10.495 7.080 -14.675 1.00 0.00 O ATOM 610 OE2 GLU A 39 -8.345 6.676 -14.779 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.778 10.439 -14.612 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.357 11.678 -14.377 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.181 9.187 -13.074 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.884 9.593 -13.160 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.845 9.375 -15.604 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.120 9.064 -15.573 1.00 0.00 H new ATOM 617 N ASN A 40 -7.239 11.684 -11.885 1.00 0.00 N ATOM 618 CA ASN A 40 -6.977 12.070 -10.503 1.00 0.00 C ATOM 619 C ASN A 40 -6.380 13.462 -10.405 1.00 0.00 C ATOM 620 O ASN A 40 -6.565 14.161 -9.407 1.00 0.00 O ATOM 621 CB ASN A 40 -6.038 11.047 -9.856 1.00 0.00 C ATOM 622 CG ASN A 40 -6.790 9.914 -9.184 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.937 9.622 -9.528 1.00 0.00 O ATOM 624 ND2 ASN A 40 -6.144 9.250 -8.237 1.00 0.00 N ATOM 0 H ASN A 40 -6.415 11.353 -12.387 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.929 12.088 -9.973 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.373 10.637 -10.616 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.410 11.549 -9.120 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.596 8.467 -7.765 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.195 9.522 -7.980 1.00 0.00 H new ATOM 631 N PHE A 41 -5.672 13.867 -11.442 1.00 0.00 N ATOM 632 CA PHE A 41 -5.034 15.173 -11.467 1.00 0.00 C ATOM 633 C PHE A 41 -5.261 15.851 -12.815 1.00 0.00 C ATOM 634 O PHE A 41 -4.309 16.110 -13.554 1.00 0.00 O ATOM 635 CB PHE A 41 -3.530 15.041 -11.204 1.00 0.00 C ATOM 636 CG PHE A 41 -3.182 14.461 -9.861 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.116 13.088 -9.677 1.00 0.00 C ATOM 638 CD2 PHE A 41 -2.910 15.289 -8.785 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.786 12.553 -8.447 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.582 14.761 -7.550 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.520 13.391 -7.382 1.00 0.00 C ATOM 0 H PHE A 41 -5.523 13.309 -12.283 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.479 15.784 -10.682 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.091 14.415 -11.981 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.071 16.026 -11.291 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.325 12.428 -10.506 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.955 16.361 -8.912 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.736 11.482 -8.318 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.375 15.418 -6.718 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.264 12.976 -6.419 1.00 0.00 H new ATOM 651 N PRO A 42 -6.525 16.155 -13.159 1.00 0.00 N ATOM 652 CA PRO A 42 -6.861 16.776 -14.443 1.00 0.00 C ATOM 653 C PRO A 42 -6.294 18.189 -14.548 1.00 0.00 C ATOM 654 O PRO A 42 -5.996 18.681 -15.636 1.00 0.00 O ATOM 655 CB PRO A 42 -8.396 16.820 -14.445 1.00 0.00 C ATOM 656 CG PRO A 42 -8.823 15.896 -13.356 1.00 0.00 C ATOM 657 CD PRO A 42 -7.726 15.930 -12.337 1.00 0.00 C ATOM 0 HA PRO A 42 -6.445 16.222 -15.284 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.760 17.832 -14.266 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.796 16.503 -15.408 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.770 16.215 -12.921 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.972 14.886 -13.737 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.874 16.728 -11.610 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.664 14.997 -11.778 1.00 0.00 H new ATOM 665 N SER A 43 -6.111 18.813 -13.394 1.00 0.00 N ATOM 666 CA SER A 43 -5.642 20.186 -13.318 1.00 0.00 C ATOM 667 C SER A 43 -4.129 20.265 -13.517 1.00 0.00 C ATOM 668 O SER A 43 -3.543 21.346 -13.483 1.00 0.00 O ATOM 669 CB SER A 43 -6.019 20.763 -11.955 1.00 0.00 C ATOM 670 OG SER A 43 -7.337 20.378 -11.599 1.00 0.00 O ATOM 0 H SER A 43 -6.283 18.382 -12.486 1.00 0.00 H new ATOM 0 HA SER A 43 -6.113 20.764 -14.113 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.315 20.414 -11.199 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.946 21.850 -11.981 1.00 0.00 H new ATOM 0 HG SER A 43 -7.562 20.754 -10.723 1.00 0.00 H new ATOM 676 N LYS A 44 -3.501 19.117 -13.740 1.00 0.00 N ATOM 677 CA LYS A 44 -2.053 19.063 -13.884 1.00 0.00 C ATOM 678 C LYS A 44 -1.679 18.634 -15.295 1.00 0.00 C ATOM 679 O LYS A 44 -0.506 18.514 -15.646 1.00 0.00 O ATOM 680 CB LYS A 44 -1.434 18.119 -12.846 1.00 0.00 C ATOM 681 CG LYS A 44 -1.696 18.537 -11.402 1.00 0.00 C ATOM 682 CD LYS A 44 -1.364 20.006 -11.163 1.00 0.00 C ATOM 683 CE LYS A 44 -1.559 20.388 -9.703 1.00 0.00 C ATOM 684 NZ LYS A 44 -1.585 21.863 -9.501 1.00 0.00 N1+ ATOM 0 H LYS A 44 -3.970 18.215 -13.825 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.653 20.061 -13.708 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.828 17.115 -13.001 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.358 18.068 -13.010 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.743 18.357 -11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.101 17.917 -10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.332 20.200 -11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.998 20.631 -11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.492 19.958 -9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.755 19.956 -9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.346 22.082 -8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.891 22.312 -10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.535 22.226 -9.716 1.00 0.00 H new ATOM 698 N ASN A 45 -2.728 18.404 -16.085 1.00 0.00 N ATOM 699 CA ASN A 45 -2.622 18.080 -17.506 1.00 0.00 C ATOM 700 C ASN A 45 -1.785 16.829 -17.746 1.00 0.00 C ATOM 701 O ASN A 45 -0.729 16.886 -18.358 1.00 0.00 O ATOM 702 CB ASN A 45 -2.044 19.255 -18.302 1.00 0.00 C ATOM 703 CG ASN A 45 -2.858 20.532 -18.157 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.358 21.628 -18.407 1.00 0.00 O ATOM 705 ND2 ASN A 45 -4.102 20.410 -17.713 1.00 0.00 N ATOM 0 H ASN A 45 -3.690 18.438 -15.749 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.635 17.881 -17.857 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.023 19.443 -17.971 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.992 18.982 -19.356 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.676 21.241 -17.569 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.485 19.485 -17.516 1.00 0.00 H new ATOM 712 N LEU A 46 -2.282 15.692 -17.303 1.00 0.00 N ATOM 713 CA LEU A 46 -1.565 14.430 -17.472 1.00 0.00 C ATOM 714 C LEU A 46 -1.725 13.901 -18.895 1.00 0.00 C ATOM 715 O LEU A 46 -2.370 12.882 -19.142 1.00 0.00 O ATOM 716 CB LEU A 46 -2.051 13.420 -16.430 1.00 0.00 C ATOM 717 CG LEU A 46 -1.187 13.328 -15.157 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.219 14.497 -15.047 1.00 0.00 C ATOM 719 CD2 LEU A 46 -2.055 13.270 -13.909 1.00 0.00 C ATOM 0 H LEU A 46 -3.178 15.609 -16.823 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.500 14.597 -17.314 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.069 13.680 -16.141 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.093 12.435 -16.894 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.610 12.407 -15.235 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.372 14.396 -14.137 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.445 14.502 -15.912 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.779 15.431 -15.014 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.419 13.205 -13.026 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.668 14.170 -13.850 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.701 12.393 -13.956 1.00 0.00 H new ATOM 731 N ASP A 47 -1.110 14.630 -19.823 1.00 0.00 N ATOM 732 CA ASP A 47 -1.141 14.313 -21.245 1.00 0.00 C ATOM 733 C ASP A 47 -0.141 13.226 -21.585 1.00 0.00 C ATOM 734 O ASP A 47 1.050 13.365 -21.295 1.00 0.00 O ATOM 735 CB ASP A 47 -0.797 15.547 -22.080 1.00 0.00 C ATOM 736 CG ASP A 47 -1.872 16.606 -22.063 1.00 0.00 C ATOM 737 OD1 ASP A 47 -2.898 16.431 -22.754 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -1.681 17.638 -21.382 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.570 15.467 -19.604 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.150 13.971 -21.474 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.133 15.979 -21.709 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.617 15.240 -23.110 1.00 0.00 H new ATOM 743 N GLU A 48 -0.630 12.169 -22.222 1.00 0.00 N ATOM 744 CA GLU A 48 0.211 11.080 -22.708 1.00 0.00 C ATOM 745 C GLU A 48 1.144 10.552 -21.629 1.00 0.00 C ATOM 746 O GLU A 48 0.735 9.814 -20.738 1.00 0.00 O ATOM 747 CB GLU A 48 1.037 11.523 -23.923 1.00 0.00 C ATOM 748 CG GLU A 48 0.217 11.811 -25.167 1.00 0.00 C ATOM 749 CD GLU A 48 -0.595 10.613 -25.613 1.00 0.00 C ATOM 750 OE1 GLU A 48 -0.015 9.520 -25.774 1.00 0.00 O ATOM 751 OE2 GLU A 48 -1.821 10.761 -25.819 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.623 12.042 -22.417 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.463 10.275 -23.001 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.599 12.418 -23.658 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.766 10.746 -24.155 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.453 12.648 -24.971 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.882 12.117 -25.975 1.00 0.00 H new ATOM 758 N ASN A 49 2.398 10.956 -21.721 1.00 0.00 N ATOM 759 CA ASN A 49 3.422 10.525 -20.794 1.00 0.00 C ATOM 760 C ASN A 49 4.438 11.635 -20.610 1.00 0.00 C ATOM 761 O ASN A 49 5.575 11.396 -20.221 1.00 0.00 O ATOM 762 CB ASN A 49 4.091 9.252 -21.310 1.00 0.00 C ATOM 763 CG ASN A 49 4.679 9.408 -22.702 1.00 0.00 C ATOM 764 OD1 ASN A 49 3.984 9.236 -23.703 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.964 9.709 -22.779 1.00 0.00 N ATOM 0 H ASN A 49 2.733 11.594 -22.443 1.00 0.00 H new ATOM 0 HA ASN A 49 2.970 10.303 -19.827 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.882 8.959 -20.619 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.360 8.443 -21.320 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.411 9.806 -23.691 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.508 9.844 -21.927 1.00 0.00 H new ATOM 772 N TYR A 50 4.010 12.851 -20.913 1.00 0.00 N ATOM 773 CA TYR A 50 4.858 14.030 -20.757 1.00 0.00 C ATOM 774 C TYR A 50 5.273 14.185 -19.299 1.00 0.00 C ATOM 775 O TYR A 50 4.501 13.860 -18.399 1.00 0.00 O ATOM 776 CB TYR A 50 4.115 15.293 -21.194 1.00 0.00 C ATOM 777 CG TYR A 50 3.513 15.239 -22.583 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.848 14.234 -23.484 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.606 16.206 -22.990 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.293 14.196 -24.749 1.00 0.00 C ATOM 781 CE2 TYR A 50 2.048 16.175 -24.251 1.00 0.00 C ATOM 782 CZ TYR A 50 2.394 15.170 -25.127 1.00 0.00 C ATOM 783 OH TYR A 50 1.840 15.141 -26.386 1.00 0.00 O ATOM 0 H TYR A 50 3.076 13.051 -21.270 1.00 0.00 H new ATOM 0 HA TYR A 50 5.740 13.896 -21.384 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.318 15.493 -20.478 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.805 16.136 -21.147 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.553 13.471 -23.190 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.332 16.997 -22.308 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.562 13.408 -25.437 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.342 16.936 -24.550 1.00 0.00 H new ATOM 0 HH TYR A 50 1.226 15.898 -26.491 1.00 0.00 H new ATOM 793 N CYS A 51 6.485 14.676 -19.072 1.00 0.00 N ATOM 794 CA CYS A 51 6.977 14.913 -17.717 1.00 0.00 C ATOM 795 C CYS A 51 6.167 15.999 -17.013 1.00 0.00 C ATOM 796 O CYS A 51 6.512 17.181 -17.065 1.00 0.00 O ATOM 797 CB CYS A 51 8.440 15.338 -17.749 1.00 0.00 C ATOM 798 SG CYS A 51 9.607 14.066 -18.319 1.00 0.00 S ATOM 0 H CYS A 51 7.148 14.919 -19.809 1.00 0.00 H new ATOM 0 HA CYS A 51 6.872 13.978 -17.167 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.534 16.210 -18.397 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.732 15.652 -16.747 1.00 0.00 H new ATOM 803 N ARG A 52 5.086 15.600 -16.372 1.00 0.00 N ATOM 804 CA ARG A 52 4.262 16.523 -15.612 1.00 0.00 C ATOM 805 C ARG A 52 4.656 16.488 -14.142 1.00 0.00 C ATOM 806 O ARG A 52 5.537 15.727 -13.747 1.00 0.00 O ATOM 807 CB ARG A 52 2.786 16.161 -15.764 1.00 0.00 C ATOM 808 CG ARG A 52 2.263 16.261 -17.189 1.00 0.00 C ATOM 809 CD ARG A 52 2.394 17.672 -17.754 1.00 0.00 C ATOM 810 NE ARG A 52 1.595 17.840 -18.968 1.00 0.00 N ATOM 811 CZ ARG A 52 1.565 18.941 -19.710 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.390 19.947 -19.450 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.703 19.038 -20.715 1.00 0.00 N ATOM 0 H ARG A 52 4.755 14.635 -16.362 1.00 0.00 H new ATOM 0 HA ARG A 52 4.420 17.530 -15.997 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.634 15.144 -15.404 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.195 16.817 -15.125 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.810 15.565 -17.825 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.216 15.958 -17.212 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.075 18.396 -17.004 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.441 17.881 -17.974 1.00 0.00 H new ATOM 0 HE ARG A 52 1.018 17.053 -19.267 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.052 19.877 -18.677 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.363 20.790 -20.023 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.065 18.268 -20.916 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.678 19.883 -21.286 1.00 0.00 H new ATOM 827 N ASN A 53 4.012 17.311 -13.335 1.00 0.00 N ATOM 828 CA ASN A 53 4.206 17.260 -11.893 1.00 0.00 C ATOM 829 C ASN A 53 2.849 17.242 -11.190 1.00 0.00 C ATOM 830 O ASN A 53 2.436 18.229 -10.579 1.00 0.00 O ATOM 831 CB ASN A 53 5.046 18.450 -11.416 1.00 0.00 C ATOM 832 CG ASN A 53 5.487 18.330 -9.967 1.00 0.00 C ATOM 833 OD1 ASN A 53 4.954 17.531 -9.195 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.459 19.144 -9.587 1.00 0.00 N ATOM 0 H ASN A 53 3.351 18.022 -13.650 1.00 0.00 H new ATOM 0 HA ASN A 53 4.746 16.347 -11.643 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.927 18.542 -12.051 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.468 19.366 -11.538 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.793 19.124 -8.624 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.874 19.791 -10.258 1.00 0.00 H new ATOM 841 N PRO A 54 2.117 16.121 -11.299 1.00 0.00 N ATOM 842 CA PRO A 54 0.802 15.974 -10.674 1.00 0.00 C ATOM 843 C PRO A 54 0.887 15.772 -9.160 1.00 0.00 C ATOM 844 O PRO A 54 0.171 16.417 -8.398 1.00 0.00 O ATOM 845 CB PRO A 54 0.228 14.728 -11.346 1.00 0.00 C ATOM 846 CG PRO A 54 1.417 13.930 -11.758 1.00 0.00 C ATOM 847 CD PRO A 54 2.504 14.922 -12.070 1.00 0.00 C ATOM 0 HA PRO A 54 0.192 16.868 -10.803 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.406 14.166 -10.660 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.388 14.992 -12.206 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.726 13.253 -10.962 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.190 13.315 -12.629 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.483 14.551 -11.768 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.559 15.133 -13.138 1.00 0.00 H new ATOM 855 N ASP A 55 1.771 14.875 -8.739 1.00 0.00 N ATOM 856 CA ASP A 55 1.905 14.513 -7.329 1.00 0.00 C ATOM 857 C ASP A 55 2.411 15.679 -6.483 1.00 0.00 C ATOM 858 O ASP A 55 1.939 15.893 -5.366 1.00 0.00 O ATOM 859 CB ASP A 55 2.851 13.321 -7.186 1.00 0.00 C ATOM 860 CG ASP A 55 3.060 12.901 -5.750 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.199 12.191 -5.200 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 4.099 13.255 -5.173 1.00 0.00 O1- ATOM 0 H ASP A 55 2.412 14.380 -9.359 1.00 0.00 H new ATOM 0 HA ASP A 55 0.914 14.246 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.452 12.478 -7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.814 13.574 -7.629 1.00 0.00 H new ATOM 867 N GLY A 56 3.356 16.434 -7.028 1.00 0.00 N ATOM 868 CA GLY A 56 3.928 17.550 -6.300 1.00 0.00 C ATOM 869 C GLY A 56 5.346 17.279 -5.854 1.00 0.00 C ATOM 870 O GLY A 56 5.600 16.960 -4.694 1.00 0.00 O ATOM 0 H GLY A 56 3.737 16.293 -7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.912 18.439 -6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.311 17.767 -5.428 1.00 0.00 H new ATOM 874 N LYS A 57 6.266 17.362 -6.794 1.00 0.00 N ATOM 875 CA LYS A 57 7.683 17.258 -6.500 1.00 0.00 C ATOM 876 C LYS A 57 8.374 18.575 -6.806 1.00 0.00 C ATOM 877 O LYS A 57 7.718 19.533 -7.208 1.00 0.00 O ATOM 878 CB LYS A 57 8.302 16.119 -7.306 1.00 0.00 C ATOM 879 CG LYS A 57 7.773 14.764 -6.888 1.00 0.00 C ATOM 880 CD LYS A 57 8.366 14.333 -5.555 1.00 0.00 C ATOM 881 CE LYS A 57 7.421 13.433 -4.780 1.00 0.00 C ATOM 882 NZ LYS A 57 6.295 14.201 -4.184 1.00 0.00 N1+ ATOM 0 H LYS A 57 6.054 17.503 -7.782 1.00 0.00 H new ATOM 0 HA LYS A 57 7.815 17.039 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.099 16.275 -8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.385 16.137 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.686 14.802 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.013 14.025 -7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.306 13.809 -5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.598 15.215 -4.959 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.026 12.663 -5.443 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.971 12.922 -3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.415 14.248 -3.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.286 15.164 -4.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.396 13.728 -4.407 1.00 0.00 H new ATOM 896 N ARG A 59 9.681 18.633 -6.619 1.00 0.00 N ATOM 897 CA ARG A 59 10.431 19.852 -6.895 1.00 0.00 C ATOM 898 C ARG A 59 10.539 20.100 -8.398 1.00 0.00 C ATOM 899 O ARG A 59 10.774 21.225 -8.837 1.00 0.00 O ATOM 900 CB ARG A 59 11.829 19.754 -6.286 1.00 0.00 C ATOM 901 CG ARG A 59 12.667 18.639 -6.886 1.00 0.00 C ATOM 902 CD ARG A 59 13.995 18.488 -6.159 1.00 0.00 C ATOM 903 NE ARG A 59 14.811 19.703 -6.249 1.00 0.00 N ATOM 904 CZ ARG A 59 16.059 19.811 -5.794 1.00 0.00 C ATOM 905 NH1 ARG A 59 16.669 18.768 -5.242 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 16.695 20.970 -5.898 1.00 0.00 N ATOM 0 H ARG A 59 10.246 17.855 -6.279 1.00 0.00 H new ATOM 0 HA ARG A 59 9.897 20.689 -6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.346 20.703 -6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.740 19.594 -5.211 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.115 17.700 -6.837 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.850 18.846 -7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.810 18.252 -5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.547 17.648 -6.582 1.00 0.00 H new ATOM 0 HE ARG A 59 14.394 20.523 -6.691 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.182 17.875 -5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.624 18.860 -4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.229 21.771 -6.324 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.650 21.060 -5.552 1.00 0.00 H new ATOM 920 N ALA A 60 10.348 19.044 -9.176 1.00 0.00 N ATOM 921 CA ALA A 60 10.539 19.107 -10.616 1.00 0.00 C ATOM 922 C ALA A 60 9.612 18.122 -11.326 1.00 0.00 C ATOM 923 O ALA A 60 9.038 17.238 -10.682 1.00 0.00 O ATOM 924 CB ALA A 60 11.997 18.812 -10.957 1.00 0.00 C ATOM 0 H ALA A 60 10.059 18.129 -8.830 1.00 0.00 H new ATOM 0 HA ALA A 60 10.292 20.111 -10.960 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.135 18.860 -12.037 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.640 19.549 -10.476 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.259 17.815 -10.602 1.00 0.00 H new ATOM 930 N PRO A 61 9.430 18.285 -12.650 1.00 0.00 N ATOM 931 CA PRO A 61 8.657 17.351 -13.477 1.00 0.00 C ATOM 932 C PRO A 61 9.148 15.927 -13.309 1.00 0.00 C ATOM 933 O PRO A 61 10.354 15.685 -13.227 1.00 0.00 O ATOM 934 CB PRO A 61 8.934 17.832 -14.902 1.00 0.00 C ATOM 935 CG PRO A 61 9.207 19.276 -14.742 1.00 0.00 C ATOM 936 CD PRO A 61 9.950 19.405 -13.445 1.00 0.00 C ATOM 0 HA PRO A 61 7.599 17.339 -13.213 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.784 17.311 -15.342 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.080 17.657 -15.556 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.800 19.657 -15.573 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.281 19.850 -14.722 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.028 19.331 -13.589 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.758 20.364 -12.964 1.00 0.00 H new ATOM 944 N TRP A 62 8.224 14.991 -13.262 1.00 0.00 N ATOM 945 CA TRP A 62 8.578 13.605 -13.065 1.00 0.00 C ATOM 946 C TRP A 62 7.607 12.703 -13.806 1.00 0.00 C ATOM 947 O TRP A 62 6.556 13.151 -14.262 1.00 0.00 O ATOM 948 CB TRP A 62 8.597 13.268 -11.572 1.00 0.00 C ATOM 949 CG TRP A 62 7.250 13.307 -10.909 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.650 14.379 -10.312 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.346 12.209 -10.760 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.430 14.008 -9.796 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.221 12.678 -10.059 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.385 10.871 -11.154 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.147 11.843 -9.742 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.323 10.055 -10.843 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.217 10.543 -10.140 1.00 0.00 C ATOM 0 H TRP A 62 7.224 15.166 -13.358 1.00 0.00 H new ATOM 0 HA TRP A 62 9.577 13.438 -13.467 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.023 12.273 -11.442 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.259 13.968 -11.063 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.071 15.372 -10.254 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.785 14.622 -9.299 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.236 10.483 -11.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.291 12.216 -9.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.343 9.019 -11.147 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.401 9.874 -9.908 1.00 0.00 H new ATOM 968 N CYS A 63 7.956 11.439 -13.931 1.00 0.00 N ATOM 969 CA CYS A 63 7.083 10.489 -14.584 1.00 0.00 C ATOM 970 C CYS A 63 7.418 9.078 -14.129 1.00 0.00 C ATOM 971 O CYS A 63 8.396 8.864 -13.416 1.00 0.00 O ATOM 972 CB CYS A 63 7.224 10.609 -16.106 1.00 0.00 C ATOM 973 SG CYS A 63 8.756 9.870 -16.759 1.00 0.00 S ATOM 0 H CYS A 63 8.834 11.048 -13.590 1.00 0.00 H new ATOM 0 HA CYS A 63 6.050 10.707 -14.311 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.368 10.129 -16.580 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.192 11.663 -16.383 1.00 0.00 H new ATOM 978 N HIS A 64 6.592 8.121 -14.520 1.00 0.00 N ATOM 979 CA HIS A 64 6.840 6.723 -14.207 1.00 0.00 C ATOM 980 C HIS A 64 7.563 6.103 -15.380 1.00 0.00 C ATOM 981 O HIS A 64 7.139 6.279 -16.510 1.00 0.00 O ATOM 982 CB HIS A 64 5.521 5.981 -13.939 1.00 0.00 C ATOM 983 CG HIS A 64 4.711 6.597 -12.845 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.747 7.555 -13.075 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.739 6.407 -11.507 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.222 7.929 -11.926 1.00 0.00 C ATOM 987 NE2 HIS A 64 3.805 7.246 -10.957 1.00 0.00 N ATOM 0 H HIS A 64 5.741 8.288 -15.057 1.00 0.00 H new ATOM 0 HA HIS A 64 7.447 6.647 -13.305 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.929 5.963 -14.854 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.740 4.945 -13.681 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.379 5.721 -10.971 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.446 8.669 -11.798 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.595 7.329 -9.962 1.00 0.00 H new ATOM 996 N THR A 65 8.653 5.409 -15.135 1.00 0.00 N ATOM 997 CA THR A 65 9.438 4.870 -16.230 1.00 0.00 C ATOM 998 C THR A 65 8.838 3.554 -16.705 1.00 0.00 C ATOM 999 O THR A 65 8.211 2.830 -15.927 1.00 0.00 O ATOM 1000 CB THR A 65 10.912 4.650 -15.823 1.00 0.00 C ATOM 1001 OG1 THR A 65 11.063 3.404 -15.140 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.400 5.775 -14.922 1.00 0.00 C ATOM 0 H THR A 65 9.014 5.205 -14.203 1.00 0.00 H new ATOM 0 HA THR A 65 9.416 5.599 -17.040 1.00 0.00 H new ATOM 0 HB THR A 65 11.509 4.639 -16.735 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.930 3.540 -14.179 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.440 5.597 -14.649 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.321 6.725 -15.451 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.789 5.810 -14.020 1.00 0.00 H new ATOM 1010 N THR A 66 8.997 3.269 -17.990 1.00 0.00 N ATOM 1011 CA THR A 66 8.596 1.987 -18.547 1.00 0.00 C ATOM 1012 C THR A 66 9.618 0.900 -18.216 1.00 0.00 C ATOM 1013 O THR A 66 9.540 -0.215 -18.725 1.00 0.00 O ATOM 1014 CB THR A 66 8.434 2.074 -20.075 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.619 2.637 -20.650 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.232 2.927 -20.447 1.00 0.00 C ATOM 0 H THR A 66 9.403 3.913 -18.669 1.00 0.00 H new ATOM 0 HA THR A 66 7.637 1.728 -18.098 1.00 0.00 H new ATOM 0 HB THR A 66 8.275 1.068 -20.464 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.836 2.165 -21.481 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.140 2.972 -21.532 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.329 2.487 -20.024 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.364 3.934 -20.052 1.00 0.00 H new ATOM 1024 N ASN A 67 10.567 1.231 -17.353 1.00 0.00 N ATOM 1025 CA ASN A 67 11.636 0.310 -17.000 1.00 0.00 C ATOM 1026 C ASN A 67 11.375 -0.299 -15.634 1.00 0.00 C ATOM 1027 O ASN A 67 10.798 0.340 -14.760 1.00 0.00 O ATOM 1028 CB ASN A 67 12.988 1.030 -16.989 1.00 0.00 C ATOM 1029 CG ASN A 67 13.411 1.512 -18.363 1.00 0.00 C ATOM 1030 OD1 ASN A 67 14.116 0.814 -19.091 1.00 0.00 O ATOM 1031 ND2 ASN A 67 12.987 2.713 -18.727 1.00 0.00 N ATOM 0 H ASN A 67 10.618 2.135 -16.883 1.00 0.00 H new ATOM 0 HA ASN A 67 11.663 -0.482 -17.749 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.935 1.882 -16.311 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.749 0.357 -16.595 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.244 3.090 -19.640 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.404 3.261 -18.095 1.00 0.00 H new ATOM 1038 N SER A 68 11.808 -1.534 -15.453 1.00 0.00 N ATOM 1039 CA SER A 68 11.655 -2.220 -14.183 1.00 0.00 C ATOM 1040 C SER A 68 12.889 -1.981 -13.318 1.00 0.00 C ATOM 1041 O SER A 68 13.044 -2.558 -12.238 1.00 0.00 O ATOM 1042 CB SER A 68 11.439 -3.713 -14.430 1.00 0.00 C ATOM 1043 OG SER A 68 10.346 -3.925 -15.317 1.00 0.00 O ATOM 0 H SER A 68 12.272 -2.085 -16.175 1.00 0.00 H new ATOM 0 HA SER A 68 10.785 -1.829 -13.655 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.344 -4.152 -14.850 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.249 -4.219 -13.484 1.00 0.00 H new ATOM 0 HG SER A 68 10.225 -4.886 -15.464 1.00 0.00 H new ATOM 1049 N GLN A 69 13.768 -1.118 -13.813 1.00 0.00 N ATOM 1050 CA GLN A 69 14.972 -0.731 -13.091 1.00 0.00 C ATOM 1051 C GLN A 69 14.628 0.290 -12.017 1.00 0.00 C ATOM 1052 O GLN A 69 15.116 0.222 -10.888 1.00 0.00 O ATOM 1053 CB GLN A 69 15.991 -0.118 -14.052 1.00 0.00 C ATOM 1054 CG GLN A 69 16.274 -0.961 -15.283 1.00 0.00 C ATOM 1055 CD GLN A 69 17.244 -0.287 -16.235 1.00 0.00 C ATOM 1056 OE1 GLN A 69 18.460 -0.436 -16.118 1.00 0.00 O ATOM 1057 NE2 GLN A 69 16.709 0.445 -17.198 1.00 0.00 N ATOM 0 H GLN A 69 13.666 -0.669 -14.723 1.00 0.00 H new ATOM 0 HA GLN A 69 15.399 -1.621 -12.629 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.630 0.860 -14.371 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.926 0.046 -13.516 1.00 0.00 H new ATOM 0 HG2 GLN A 69 16.682 -1.924 -14.975 1.00 0.00 H new ATOM 0 HG3 GLN A 69 15.338 -1.163 -15.805 1.00 0.00 H new ATOM 0 HE21 GLN A 69 15.696 0.544 -17.261 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.310 0.911 -17.878 1.00 0.00 H new ATOM 1066 N VAL A 70 13.772 1.227 -12.388 1.00 0.00 N ATOM 1067 CA VAL A 70 13.418 2.346 -11.540 1.00 0.00 C ATOM 1068 C VAL A 70 11.910 2.597 -11.601 1.00 0.00 C ATOM 1069 O VAL A 70 11.274 2.328 -12.619 1.00 0.00 O ATOM 1070 CB VAL A 70 14.193 3.605 -11.987 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.937 3.903 -13.452 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.849 4.811 -11.131 1.00 0.00 C ATOM 0 H VAL A 70 13.301 1.230 -13.293 1.00 0.00 H new ATOM 0 HA VAL A 70 13.688 2.114 -10.510 1.00 0.00 H new ATOM 0 HB VAL A 70 15.255 3.397 -11.854 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.493 4.794 -13.745 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.262 3.057 -14.058 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.872 4.073 -13.608 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.415 5.676 -11.477 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.782 5.020 -11.209 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.103 4.604 -10.091 1.00 0.00 H new ATOM 1082 N ARG A 71 11.341 3.092 -10.515 1.00 0.00 N ATOM 1083 CA ARG A 71 9.914 3.358 -10.457 1.00 0.00 C ATOM 1084 C ARG A 71 9.592 4.660 -11.198 1.00 0.00 C ATOM 1085 O ARG A 71 9.375 4.657 -12.414 1.00 0.00 O ATOM 1086 CB ARG A 71 9.451 3.412 -8.994 1.00 0.00 C ATOM 1087 CG ARG A 71 7.952 3.585 -8.807 1.00 0.00 C ATOM 1088 CD ARG A 71 7.561 3.486 -7.338 1.00 0.00 C ATOM 1089 NE ARG A 71 8.302 4.433 -6.498 1.00 0.00 N ATOM 1090 CZ ARG A 71 8.020 4.668 -5.213 1.00 0.00 C ATOM 1091 NH1 ARG A 71 7.018 4.027 -4.622 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 8.749 5.534 -4.515 1.00 0.00 N ATOM 0 H ARG A 71 11.847 3.318 -9.659 1.00 0.00 H new ATOM 0 HA ARG A 71 9.373 2.551 -10.951 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.762 2.494 -8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.963 4.235 -8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.644 4.553 -9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.422 2.823 -9.378 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.492 3.673 -7.236 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.742 2.471 -6.984 1.00 0.00 H new ATOM 0 HE ARG A 71 9.079 4.942 -6.920 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.462 3.354 -5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.805 4.208 -3.641 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.526 6.022 -4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.531 5.711 -3.534 1.00 0.00 H new ATOM 1106 N TRP A 72 9.538 5.764 -10.466 1.00 0.00 N ATOM 1107 CA TRP A 72 9.379 7.071 -11.077 1.00 0.00 C ATOM 1108 C TRP A 72 10.747 7.732 -11.262 1.00 0.00 C ATOM 1109 O TRP A 72 11.722 7.333 -10.624 1.00 0.00 O ATOM 1110 CB TRP A 72 8.433 7.949 -10.252 1.00 0.00 C ATOM 1111 CG TRP A 72 8.954 8.325 -8.904 1.00 0.00 C ATOM 1112 CD1 TRP A 72 9.045 7.528 -7.803 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.429 9.612 -8.510 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.562 8.237 -6.751 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.804 9.522 -7.159 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.579 10.831 -9.176 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.320 10.607 -6.457 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.090 11.908 -8.480 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.454 11.790 -7.132 1.00 0.00 C ATOM 0 H TRP A 72 9.602 5.778 -9.448 1.00 0.00 H new ATOM 0 HA TRP A 72 8.926 6.948 -12.061 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.221 8.860 -10.813 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.486 7.424 -10.128 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.752 6.489 -7.765 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.738 7.868 -5.816 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.301 10.929 -10.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.604 10.519 -5.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.211 12.856 -8.982 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.849 12.652 -6.614 1.00 0.00 H new ATOM 1130 N GLU A 73 10.813 8.737 -12.122 1.00 0.00 N ATOM 1131 CA GLU A 73 12.055 9.451 -12.394 1.00 0.00 C ATOM 1132 C GLU A 73 11.764 10.922 -12.637 1.00 0.00 C ATOM 1133 O GLU A 73 10.691 11.271 -13.131 1.00 0.00 O ATOM 1134 CB GLU A 73 12.740 8.859 -13.627 1.00 0.00 C ATOM 1135 CG GLU A 73 13.942 7.990 -13.320 1.00 0.00 C ATOM 1136 CD GLU A 73 15.205 8.798 -13.118 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.414 9.322 -12.006 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 16.006 8.902 -14.076 1.00 0.00 O1- ATOM 0 H GLU A 73 10.011 9.081 -12.650 1.00 0.00 H new ATOM 0 HA GLU A 73 12.714 9.350 -11.532 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.012 8.268 -14.183 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.054 9.674 -14.279 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.743 7.403 -12.423 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.093 7.283 -14.136 1.00 0.00 H new ATOM 1145 N TYR A 74 12.712 11.776 -12.277 1.00 0.00 N ATOM 1146 CA TYR A 74 12.596 13.201 -12.547 1.00 0.00 C ATOM 1147 C TYR A 74 12.961 13.503 -13.991 1.00 0.00 C ATOM 1148 O TYR A 74 13.542 12.668 -14.686 1.00 0.00 O ATOM 1149 CB TYR A 74 13.518 14.019 -11.639 1.00 0.00 C ATOM 1150 CG TYR A 74 13.028 14.201 -10.218 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.902 14.969 -9.947 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.707 13.632 -9.150 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.466 15.161 -8.650 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.274 13.818 -7.850 1.00 0.00 C ATOM 1155 CZ TYR A 74 12.156 14.586 -7.607 1.00 0.00 C ATOM 1156 OH TYR A 74 11.717 14.775 -6.315 1.00 0.00 O ATOM 0 H TYR A 74 13.570 11.506 -11.797 1.00 0.00 H new ATOM 0 HA TYR A 74 11.560 13.478 -12.354 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.495 13.536 -11.610 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.662 15.003 -12.086 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.359 15.423 -10.763 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.587 13.035 -9.337 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.588 15.759 -8.456 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.809 13.364 -7.029 1.00 0.00 H new ATOM 0 HH TYR A 74 12.312 14.303 -5.695 1.00 0.00 H new ATOM 1166 N CYS A 75 12.628 14.703 -14.424 1.00 0.00 N ATOM 1167 CA CYS A 75 13.031 15.193 -15.732 1.00 0.00 C ATOM 1168 C CYS A 75 13.618 16.589 -15.576 1.00 0.00 C ATOM 1169 O CYS A 75 13.052 17.435 -14.881 1.00 0.00 O ATOM 1170 CB CYS A 75 11.847 15.247 -16.695 1.00 0.00 C ATOM 1171 SG CYS A 75 10.775 13.776 -16.687 1.00 0.00 S ATOM 0 H CYS A 75 12.072 15.366 -13.883 1.00 0.00 H new ATOM 0 HA CYS A 75 13.772 14.509 -16.145 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.241 16.120 -16.452 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.228 15.394 -17.706 1.00 0.00 H new ATOM 1176 N LYS A 76 14.735 16.849 -16.231 1.00 0.00 N ATOM 1177 CA LYS A 76 15.413 18.118 -16.054 1.00 0.00 C ATOM 1178 C LYS A 76 14.912 19.122 -17.072 1.00 0.00 C ATOM 1179 O LYS A 76 15.423 19.204 -18.191 1.00 0.00 O ATOM 1180 CB LYS A 76 16.929 17.978 -16.183 1.00 0.00 C ATOM 1181 CG LYS A 76 17.676 19.189 -15.642 1.00 0.00 C ATOM 1182 CD LYS A 76 18.877 19.556 -16.497 1.00 0.00 C ATOM 1183 CE LYS A 76 19.853 18.401 -16.645 1.00 0.00 C ATOM 1184 NZ LYS A 76 21.097 18.825 -17.339 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.187 16.207 -16.882 1.00 0.00 H new ATOM 0 HA LYS A 76 15.191 18.467 -15.046 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.255 17.086 -15.648 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.189 17.834 -17.232 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.996 20.039 -15.591 1.00 0.00 H new ATOM 0 HG3 LYS A 76 18.007 18.984 -14.624 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.536 19.869 -17.484 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.391 20.408 -16.052 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.101 18.005 -15.660 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.380 17.593 -17.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.741 18.013 -17.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.861 19.180 -18.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.560 19.579 -16.792 1.00 0.00 H new ATOM 1198 N ILE A 77 13.891 19.865 -16.696 1.00 0.00 N ATOM 1199 CA ILE A 77 13.394 20.926 -17.542 1.00 0.00 C ATOM 1200 C ILE A 77 14.136 22.219 -17.186 1.00 0.00 C ATOM 1201 O ILE A 77 14.452 22.437 -16.016 1.00 0.00 O ATOM 1202 CB ILE A 77 11.867 21.105 -17.354 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.122 19.763 -17.488 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.313 22.111 -18.343 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.396 18.996 -18.765 1.00 0.00 C ATOM 0 H ILE A 77 13.392 19.753 -15.813 1.00 0.00 H new ATOM 0 HA ILE A 77 13.570 20.675 -18.588 1.00 0.00 H new ATOM 0 HB ILE A 77 11.707 21.484 -16.345 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.389 19.132 -16.640 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.051 19.952 -17.420 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.239 22.218 -18.190 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.799 23.075 -18.192 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.502 21.764 -19.359 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.825 18.068 -18.762 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.101 19.600 -19.623 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.460 18.767 -18.831 1.00 0.00 H new ATOM 1217 N PRO A 78 14.463 23.073 -18.185 1.00 0.00 N ATOM 1218 CA PRO A 78 15.139 24.359 -17.948 1.00 0.00 C ATOM 1219 C PRO A 78 14.269 25.286 -17.120 1.00 0.00 C ATOM 1220 O PRO A 78 13.225 24.891 -16.663 1.00 0.00 O ATOM 1221 CB PRO A 78 15.335 24.933 -19.353 1.00 0.00 C ATOM 1222 CG PRO A 78 15.210 23.765 -20.260 1.00 0.00 C ATOM 1223 CD PRO A 78 14.197 22.872 -19.611 1.00 0.00 C ATOM 0 HA PRO A 78 16.073 24.243 -17.398 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.585 25.691 -19.579 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.310 25.409 -19.453 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.886 24.071 -21.254 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.166 23.255 -20.380 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.178 23.154 -19.877 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.327 21.830 -19.905 1.00 0.00 H new ATOM 1231 N SER A 79 14.658 26.526 -16.972 1.00 0.00 N ATOM 1232 CA SER A 79 13.943 27.421 -16.078 1.00 0.00 C ATOM 1233 C SER A 79 13.867 28.820 -16.645 1.00 0.00 C ATOM 1234 O SER A 79 14.849 29.357 -17.155 1.00 0.00 O ATOM 1235 CB SER A 79 14.619 27.464 -14.705 1.00 0.00 C ATOM 1236 OG SER A 79 14.628 26.184 -14.094 1.00 0.00 O ATOM 0 H SER A 79 15.457 26.943 -17.450 1.00 0.00 H new ATOM 0 HA SER A 79 12.930 27.034 -15.971 1.00 0.00 H new ATOM 0 HB2 SER A 79 15.642 27.825 -14.812 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.096 28.172 -14.062 1.00 0.00 H new ATOM 0 HG SER A 79 15.067 26.242 -13.220 1.00 0.00 H new ATOM 1242 N CYS A 80 12.676 29.398 -16.568 1.00 0.00 N ATOM 1243 CA CYS A 80 12.486 30.780 -16.952 1.00 0.00 C ATOM 1244 C CYS A 80 13.189 31.656 -15.931 1.00 0.00 C ATOM 1245 O CYS A 80 13.846 32.637 -16.269 1.00 0.00 O ATOM 1246 CB CYS A 80 10.993 31.110 -17.025 1.00 0.00 C ATOM 1247 SG CYS A 80 9.970 29.788 -17.769 1.00 0.00 S ATOM 0 H CYS A 80 11.831 28.928 -16.243 1.00 0.00 H new ATOM 0 HA CYS A 80 12.909 30.960 -17.940 1.00 0.00 H new ATOM 0 HB2 CYS A 80 10.628 31.314 -16.019 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.862 32.025 -17.603 1.00 0.00 H new ATOM 1252 N ASP A 81 13.049 31.270 -14.671 1.00 0.00 N ATOM 1253 CA ASP A 81 13.813 31.870 -13.591 1.00 0.00 C ATOM 1254 C ASP A 81 15.071 31.045 -13.353 1.00 0.00 C ATOM 1255 O ASP A 81 15.124 30.227 -12.437 1.00 0.00 O ATOM 1256 CB ASP A 81 12.984 31.955 -12.305 1.00 0.00 C ATOM 1257 CG ASP A 81 13.750 32.602 -11.164 1.00 0.00 C ATOM 1258 OD1 ASP A 81 14.039 33.814 -11.249 1.00 0.00 O1- ATOM 1259 OD2 ASP A 81 14.068 31.904 -10.179 1.00 0.00 O1- ATOM 0 H ASP A 81 12.406 30.537 -14.371 1.00 0.00 H new ATOM 0 HA ASP A 81 14.085 32.886 -13.876 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.076 32.525 -12.499 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.674 30.953 -12.009 1.00 0.00 H new ATOM 1264 N SER A 82 16.063 31.224 -14.204 1.00 0.00 N ATOM 1265 CA SER A 82 17.286 30.451 -14.104 1.00 0.00 C ATOM 1266 C SER A 82 18.352 31.274 -13.391 1.00 0.00 C ATOM 1267 O SER A 82 18.502 31.115 -12.160 1.00 0.00 O ATOM 1268 CB SER A 82 17.754 30.026 -15.501 1.00 0.00 C ATOM 1269 OG SER A 82 18.669 28.941 -15.446 1.00 0.00 O ATOM 1270 OXT SER A 82 19.011 32.102 -14.055 1.00 0.00 O1- ATOM 0 H SER A 82 16.046 31.896 -14.971 1.00 0.00 H new ATOM 0 HA SER A 82 17.103 29.547 -13.523 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.890 29.742 -16.102 1.00 0.00 H new ATOM 0 HB3 SER A 82 18.225 30.873 -15.999 1.00 0.00 H new ATOM 0 HG SER A 82 18.943 28.698 -16.355 1.00 0.00 H new TER 1276 SER A 82