USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 704 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 57 HIS : no HD1:sc= 0.673 K(o=-12,f=-23!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -14! C(o=-12!,f=-14!) USER MOD Set 1.3: A 85 SER OG : rot -97:sc= 0.882 USER MOD Set 2.1: A 31 THR OG1 : rot 167:sc= 1.29 USER MOD Set 2.2: A 34 HIS : no HE2:sc= 0.249 K(o=1.5,f=-0.71) USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.00194 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -4.1! C(o=-4.1!,f=-4.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 41:sc= 0.232 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 71:sc= -2.64 USER MOD Single : A 38 MET CE :methyl -130:sc= -0.178 (180deg=-2.07!) USER MOD Single : A 41 GLN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=-0.18) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -160:sc= -3.62 USER MOD Single : A 69 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.019) USER MOD Single : A 71 SER OG : rot 44:sc= 0.0827 USER MOD Single : A 76 GLN : amide:sc=-0.00103 X(o=-0.001,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.6!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.215 -23.881 -4.575 1.00 0.00 N ATOM 2 CA GLY A 1 -0.809 -23.790 -3.548 1.00 0.00 C ATOM 3 C GLY A 1 -0.257 -24.210 -2.184 1.00 0.00 C ATOM 4 O GLY A 1 0.411 -25.237 -2.071 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.226 -24.130 -5.484 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.699 -22.965 -4.664 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.905 -24.613 -4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.184 -22.768 -3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.653 -24.426 -3.814 1.00 0.00 H new ATOM 8 N SER A 2 -0.557 -23.395 -1.184 1.00 0.00 N ATOM 9 CA SER A 2 -0.099 -23.670 0.168 1.00 0.00 C ATOM 10 C SER A 2 -1.298 -23.894 1.091 1.00 0.00 C ATOM 11 O SER A 2 -1.428 -24.955 1.699 1.00 0.00 O ATOM 12 CB SER A 2 0.773 -22.529 0.696 1.00 0.00 C ATOM 13 OG SER A 2 0.152 -21.258 0.521 1.00 0.00 O ATOM 0 H SER A 2 -1.111 -22.544 -1.282 1.00 0.00 H new ATOM 0 HA SER A 2 0.508 -24.575 0.147 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.978 -22.690 1.754 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.733 -22.538 0.180 1.00 0.00 H new ATOM 0 HG SER A 2 0.739 -20.556 0.872 1.00 0.00 H new ATOM 19 N SER A 3 -2.143 -22.877 1.168 1.00 0.00 N ATOM 20 CA SER A 3 -3.327 -22.949 2.007 1.00 0.00 C ATOM 21 C SER A 3 -4.390 -23.822 1.337 1.00 0.00 C ATOM 22 O SER A 3 -4.279 -24.147 0.156 1.00 0.00 O ATOM 23 CB SER A 3 -3.888 -21.554 2.290 1.00 0.00 C ATOM 24 OG SER A 3 -3.522 -21.085 3.585 1.00 0.00 O ATOM 0 H SER A 3 -2.031 -21.998 0.663 1.00 0.00 H new ATOM 0 HA SER A 3 -3.044 -23.397 2.959 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.524 -20.857 1.535 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.975 -21.576 2.206 1.00 0.00 H new ATOM 0 HG SER A 3 -3.897 -20.191 3.727 1.00 0.00 H new ATOM 30 N GLY A 4 -5.397 -24.179 2.121 1.00 0.00 N ATOM 31 CA GLY A 4 -6.480 -25.008 1.619 1.00 0.00 C ATOM 32 C GLY A 4 -7.425 -24.197 0.730 1.00 0.00 C ATOM 33 O GLY A 4 -7.053 -23.792 -0.370 1.00 0.00 O ATOM 0 H GLY A 4 -5.486 -23.909 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.070 -25.844 1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.036 -25.432 2.455 1.00 0.00 H new ATOM 37 N SER A 5 -8.629 -23.984 1.240 1.00 0.00 N ATOM 38 CA SER A 5 -9.630 -23.229 0.506 1.00 0.00 C ATOM 39 C SER A 5 -10.527 -22.464 1.481 1.00 0.00 C ATOM 40 O SER A 5 -11.751 -22.568 1.416 1.00 0.00 O ATOM 41 CB SER A 5 -10.472 -24.148 -0.381 1.00 0.00 C ATOM 42 OG SER A 5 -10.743 -23.562 -1.651 1.00 0.00 O ATOM 0 H SER A 5 -8.934 -24.321 2.153 1.00 0.00 H new ATOM 0 HA SER A 5 -9.116 -22.517 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.949 -25.094 -0.522 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.412 -24.375 0.122 1.00 0.00 H new ATOM 0 HG SER A 5 -11.281 -24.180 -2.188 1.00 0.00 H new ATOM 48 N SER A 6 -9.883 -21.712 2.362 1.00 0.00 N ATOM 49 CA SER A 6 -10.608 -20.929 3.349 1.00 0.00 C ATOM 50 C SER A 6 -10.357 -19.437 3.120 1.00 0.00 C ATOM 51 O SER A 6 -9.237 -18.959 3.291 1.00 0.00 O ATOM 52 CB SER A 6 -10.202 -21.324 4.770 1.00 0.00 C ATOM 53 OG SER A 6 -11.180 -22.152 5.394 1.00 0.00 O ATOM 0 H SER A 6 -8.868 -21.628 2.413 1.00 0.00 H new ATOM 0 HA SER A 6 -11.672 -21.133 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.247 -21.849 4.742 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.053 -20.425 5.368 1.00 0.00 H new ATOM 0 HG SER A 6 -10.883 -22.384 6.299 1.00 0.00 H new ATOM 59 N GLY A 7 -11.419 -18.743 2.737 1.00 0.00 N ATOM 60 CA GLY A 7 -11.328 -17.316 2.483 1.00 0.00 C ATOM 61 C GLY A 7 -10.108 -16.989 1.620 1.00 0.00 C ATOM 62 O GLY A 7 -9.730 -17.773 0.751 1.00 0.00 O ATOM 0 H GLY A 7 -12.347 -19.143 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.234 -16.974 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.263 -16.778 3.429 1.00 0.00 H new ATOM 66 N ARG A 8 -9.527 -15.829 1.888 1.00 0.00 N ATOM 67 CA ARG A 8 -8.358 -15.388 1.146 1.00 0.00 C ATOM 68 C ARG A 8 -7.748 -14.148 1.803 1.00 0.00 C ATOM 69 O ARG A 8 -8.429 -13.431 2.535 1.00 0.00 O ATOM 70 CB ARG A 8 -8.717 -15.063 -0.306 1.00 0.00 C ATOM 71 CG ARG A 8 -8.252 -16.176 -1.248 1.00 0.00 C ATOM 72 CD ARG A 8 -7.788 -15.601 -2.588 1.00 0.00 C ATOM 73 NE ARG A 8 -8.329 -16.412 -3.701 1.00 0.00 N ATOM 74 CZ ARG A 8 -7.863 -17.621 -4.045 1.00 0.00 C ATOM 75 NH1 ARG A 8 -6.846 -18.166 -3.365 1.00 0.00 N ATOM 76 NH2 ARG A 8 -8.416 -18.284 -5.070 1.00 0.00 N ATOM 0 H ARG A 8 -9.844 -15.181 2.609 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.633 -16.202 1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.795 -14.931 -0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.255 -14.119 -0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.437 -16.732 -0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.066 -16.882 -1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.121 -14.568 -2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.699 -15.590 -2.631 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.105 -16.027 -4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.426 -17.661 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.492 -19.086 -3.627 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.191 -17.869 -5.588 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.062 -19.204 -5.333 1.00 0.00 H new ATOM 90 N PRO A 9 -6.438 -13.928 1.510 1.00 0.00 N ATOM 91 CA PRO A 9 -5.729 -12.787 2.065 1.00 0.00 C ATOM 92 C PRO A 9 -6.140 -11.492 1.362 1.00 0.00 C ATOM 93 O PRO A 9 -6.938 -11.515 0.426 1.00 0.00 O ATOM 94 CB PRO A 9 -4.256 -13.117 1.889 1.00 0.00 C ATOM 95 CG PRO A 9 -4.196 -14.207 0.831 1.00 0.00 C ATOM 96 CD PRO A 9 -5.601 -14.756 0.647 1.00 0.00 C ATOM 0 HA PRO A 9 -5.963 -12.616 3.116 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.694 -12.237 1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.818 -13.458 2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.817 -13.806 -0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.514 -15.000 1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.919 -14.691 -0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.656 -15.807 0.932 1.00 0.00 H new ATOM 104 N HIS A 10 -5.576 -10.393 1.839 1.00 0.00 N ATOM 105 CA HIS A 10 -5.873 -9.090 1.268 1.00 0.00 C ATOM 106 C HIS A 10 -4.618 -8.522 0.603 1.00 0.00 C ATOM 107 O HIS A 10 -3.684 -8.104 1.286 1.00 0.00 O ATOM 108 CB HIS A 10 -6.458 -8.153 2.327 1.00 0.00 C ATOM 109 CG HIS A 10 -7.772 -8.624 2.905 1.00 0.00 C ATOM 110 ND1 HIS A 10 -8.988 -8.400 2.282 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.047 -9.308 4.052 1.00 0.00 C ATOM 112 CE1 HIS A 10 -9.944 -8.930 3.030 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.360 -9.491 4.127 1.00 0.00 N ATOM 0 H HIS A 10 -4.914 -10.377 2.615 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.636 -9.193 0.496 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.736 -8.040 3.136 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.599 -7.166 1.886 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -9.124 -7.910 1.398 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.320 -9.644 4.777 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.001 -8.920 2.810 1.00 0.00 H new ATOM 121 N VAL A 11 -4.636 -8.526 -0.722 1.00 0.00 N ATOM 122 CA VAL A 11 -3.510 -8.016 -1.487 1.00 0.00 C ATOM 123 C VAL A 11 -3.702 -6.518 -1.730 1.00 0.00 C ATOM 124 O VAL A 11 -4.323 -6.120 -2.714 1.00 0.00 O ATOM 125 CB VAL A 11 -3.352 -8.817 -2.781 1.00 0.00 C ATOM 126 CG1 VAL A 11 -2.282 -8.197 -3.682 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.034 -10.284 -2.482 1.00 0.00 C ATOM 0 H VAL A 11 -5.412 -8.874 -1.285 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.581 -8.138 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.301 -8.782 -3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.189 -8.785 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.567 -7.176 -3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.326 -8.187 -3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.927 -10.831 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.104 -10.347 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.844 -10.720 -1.898 1.00 0.00 H new ATOM 137 N VAL A 12 -3.155 -5.728 -0.818 1.00 0.00 N ATOM 138 CA VAL A 12 -3.258 -4.282 -0.921 1.00 0.00 C ATOM 139 C VAL A 12 -2.330 -3.788 -2.032 1.00 0.00 C ATOM 140 O VAL A 12 -1.148 -4.129 -2.056 1.00 0.00 O ATOM 141 CB VAL A 12 -2.964 -3.638 0.435 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.160 -2.122 0.376 1.00 0.00 C ATOM 143 CG2 VAL A 12 -3.825 -4.260 1.536 1.00 0.00 C ATOM 0 H VAL A 12 -2.639 -6.062 -0.004 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.273 -3.989 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.919 -3.831 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.945 -1.689 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.485 -1.696 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.190 -1.899 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.596 -3.784 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.879 -4.112 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.614 -5.327 1.603 1.00 0.00 H new ATOM 153 N LYS A 13 -2.899 -2.992 -2.925 1.00 0.00 N ATOM 154 CA LYS A 13 -2.137 -2.447 -4.036 1.00 0.00 C ATOM 155 C LYS A 13 -1.693 -1.024 -3.694 1.00 0.00 C ATOM 156 O LYS A 13 -2.479 -0.083 -3.795 1.00 0.00 O ATOM 157 CB LYS A 13 -2.939 -2.546 -5.335 1.00 0.00 C ATOM 158 CG LYS A 13 -3.521 -3.949 -5.515 1.00 0.00 C ATOM 159 CD LYS A 13 -4.304 -4.054 -6.826 1.00 0.00 C ATOM 160 CE LYS A 13 -3.360 -4.043 -8.030 1.00 0.00 C ATOM 161 NZ LYS A 13 -3.215 -5.407 -8.587 1.00 0.00 N ATOM 0 H LYS A 13 -3.879 -2.711 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.233 -3.032 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.745 -1.813 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.297 -2.303 -6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.716 -4.684 -5.508 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.176 -4.185 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.893 -4.971 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.006 -3.224 -6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.746 -3.370 -8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.384 -3.660 -7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.571 -5.382 -9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.826 -6.040 -7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.145 -5.759 -8.891 1.00 0.00 H new ATOM 175 N VAL A 14 -0.434 -0.910 -3.296 1.00 0.00 N ATOM 176 CA VAL A 14 0.125 0.383 -2.939 1.00 0.00 C ATOM 177 C VAL A 14 0.860 0.967 -4.147 1.00 0.00 C ATOM 178 O VAL A 14 1.718 0.309 -4.734 1.00 0.00 O ATOM 179 CB VAL A 14 1.018 0.244 -1.705 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.917 1.471 -1.538 1.00 0.00 C ATOM 181 CG2 VAL A 14 0.181 0.002 -0.447 1.00 0.00 C ATOM 0 H VAL A 14 0.215 -1.692 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.668 1.082 -2.672 1.00 0.00 H new ATOM 0 HB VAL A 14 1.660 -0.624 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.542 1.347 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.551 1.580 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.299 2.362 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.840 -0.093 0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.498 0.841 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.397 -0.915 -0.565 1.00 0.00 H new ATOM 191 N TYR A 15 0.498 2.197 -4.482 1.00 0.00 N ATOM 192 CA TYR A 15 1.113 2.877 -5.609 1.00 0.00 C ATOM 193 C TYR A 15 2.147 3.900 -5.134 1.00 0.00 C ATOM 194 O TYR A 15 1.954 4.553 -4.110 1.00 0.00 O ATOM 195 CB TYR A 15 -0.020 3.610 -6.329 1.00 0.00 C ATOM 196 CG TYR A 15 -1.077 2.683 -6.933 1.00 0.00 C ATOM 197 CD1 TYR A 15 -0.878 2.132 -8.182 1.00 0.00 C ATOM 198 CD2 TYR A 15 -2.228 2.398 -6.228 1.00 0.00 C ATOM 199 CE1 TYR A 15 -1.872 1.259 -8.751 1.00 0.00 C ATOM 200 CE2 TYR A 15 -3.223 1.525 -6.797 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.996 0.999 -8.030 1.00 0.00 C ATOM 202 OH TYR A 15 -3.935 0.174 -8.567 1.00 0.00 O ATOM 0 H TYR A 15 -0.213 2.740 -3.993 1.00 0.00 H new ATOM 0 HA TYR A 15 1.625 2.164 -6.255 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.505 4.287 -5.626 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.405 4.225 -7.122 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.023 2.355 -8.733 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.383 2.829 -5.250 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.728 0.821 -9.728 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.129 1.294 -6.256 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.683 0.078 -7.941 1.00 0.00 H new ATOM 212 N SER A 16 3.221 4.009 -5.902 1.00 0.00 N ATOM 213 CA SER A 16 4.285 4.942 -5.573 1.00 0.00 C ATOM 214 C SER A 16 4.058 6.271 -6.295 1.00 0.00 C ATOM 215 O SER A 16 3.678 6.288 -7.465 1.00 0.00 O ATOM 216 CB SER A 16 5.655 4.366 -5.938 1.00 0.00 C ATOM 217 OG SER A 16 6.721 5.124 -5.371 1.00 0.00 O ATOM 0 H SER A 16 3.377 3.466 -6.751 1.00 0.00 H new ATOM 0 HA SER A 16 4.268 5.114 -4.497 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.719 3.335 -5.591 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.762 4.345 -7.023 1.00 0.00 H new ATOM 0 HG SER A 16 7.579 4.724 -5.626 1.00 0.00 H new ATOM 223 N GLU A 17 4.300 7.352 -5.569 1.00 0.00 N ATOM 224 CA GLU A 17 4.127 8.682 -6.126 1.00 0.00 C ATOM 225 C GLU A 17 4.844 8.791 -7.474 1.00 0.00 C ATOM 226 O GLU A 17 4.451 9.584 -8.328 1.00 0.00 O ATOM 227 CB GLU A 17 4.623 9.754 -5.153 1.00 0.00 C ATOM 228 CG GLU A 17 3.506 10.192 -4.204 1.00 0.00 C ATOM 229 CD GLU A 17 3.619 11.682 -3.876 1.00 0.00 C ATOM 230 OE1 GLU A 17 4.570 12.032 -3.144 1.00 0.00 O ATOM 231 OE2 GLU A 17 2.751 12.438 -4.364 1.00 0.00 O ATOM 0 H GLU A 17 4.615 7.334 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 17 3.062 8.850 -6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.463 9.367 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.989 10.615 -5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.537 9.989 -4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.555 9.609 -3.285 1.00 0.00 H new ATOM 238 N ASP A 18 5.883 7.983 -7.622 1.00 0.00 N ATOM 239 CA ASP A 18 6.658 7.978 -8.851 1.00 0.00 C ATOM 240 C ASP A 18 5.815 7.379 -9.978 1.00 0.00 C ATOM 241 O ASP A 18 5.926 7.797 -11.130 1.00 0.00 O ATOM 242 CB ASP A 18 7.921 7.127 -8.702 1.00 0.00 C ATOM 243 CG ASP A 18 8.929 7.641 -7.672 1.00 0.00 C ATOM 244 OD1 ASP A 18 9.319 8.822 -7.799 1.00 0.00 O ATOM 245 OD2 ASP A 18 9.288 6.841 -6.780 1.00 0.00 O ATOM 0 H ASP A 18 6.206 7.327 -6.911 1.00 0.00 H new ATOM 0 HA ASP A 18 6.940 9.007 -9.076 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.628 6.114 -8.427 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.415 7.064 -9.672 1.00 0.00 H new ATOM 250 N GLY A 19 4.992 6.410 -9.607 1.00 0.00 N ATOM 251 CA GLY A 19 4.130 5.750 -10.573 1.00 0.00 C ATOM 252 C GLY A 19 4.161 4.231 -10.388 1.00 0.00 C ATOM 253 O GLY A 19 3.288 3.523 -10.887 1.00 0.00 O ATOM 0 H GLY A 19 4.904 6.066 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.108 6.113 -10.461 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.450 6.003 -11.584 1.00 0.00 H new ATOM 257 N ALA A 20 5.176 3.776 -9.669 1.00 0.00 N ATOM 258 CA ALA A 20 5.333 2.354 -9.411 1.00 0.00 C ATOM 259 C ALA A 20 4.066 1.820 -8.740 1.00 0.00 C ATOM 260 O ALA A 20 3.271 2.590 -8.204 1.00 0.00 O ATOM 261 CB ALA A 20 6.584 2.124 -8.561 1.00 0.00 C ATOM 0 H ALA A 20 5.898 4.367 -9.257 1.00 0.00 H new ATOM 0 HA ALA A 20 5.468 1.807 -10.344 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.702 1.058 -8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.459 2.495 -9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.484 2.655 -7.615 1.00 0.00 H new ATOM 267 N CYS A 21 3.917 0.504 -8.792 1.00 0.00 N ATOM 268 CA CYS A 21 2.761 -0.142 -8.196 1.00 0.00 C ATOM 269 C CYS A 21 3.240 -1.385 -7.442 1.00 0.00 C ATOM 270 O CYS A 21 3.670 -2.360 -8.057 1.00 0.00 O ATOM 271 CB CYS A 21 1.700 -0.484 -9.244 1.00 0.00 C ATOM 272 SG CYS A 21 2.438 -1.510 -10.569 1.00 0.00 S ATOM 0 H CYS A 21 4.578 -0.132 -9.238 1.00 0.00 H new ATOM 0 HA CYS A 21 2.280 0.542 -7.498 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.874 -1.019 -8.776 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.288 0.431 -9.668 1.00 0.00 H new ATOM 0 HG CYS A 21 3.240 -2.388 -10.043 1.00 0.00 H new ATOM 278 N ARG A 22 3.149 -1.309 -6.123 1.00 0.00 N ATOM 279 CA ARG A 22 3.568 -2.416 -5.279 1.00 0.00 C ATOM 280 C ARG A 22 2.361 -3.026 -4.565 1.00 0.00 C ATOM 281 O ARG A 22 1.336 -2.366 -4.398 1.00 0.00 O ATOM 282 CB ARG A 22 4.591 -1.958 -4.238 1.00 0.00 C ATOM 283 CG ARG A 22 6.010 -2.353 -4.652 1.00 0.00 C ATOM 284 CD ARG A 22 7.015 -1.262 -4.276 1.00 0.00 C ATOM 285 NE ARG A 22 8.118 -1.229 -5.261 1.00 0.00 N ATOM 286 CZ ARG A 22 9.026 -0.246 -5.340 1.00 0.00 C ATOM 287 NH1 ARG A 22 8.968 0.789 -4.492 1.00 0.00 N ATOM 288 NH2 ARG A 22 9.993 -0.300 -6.266 1.00 0.00 N ATOM 0 H ARG A 22 2.791 -0.499 -5.617 1.00 0.00 H new ATOM 0 HA ARG A 22 4.031 -3.166 -5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.532 -0.876 -4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.354 -2.401 -3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.286 -3.290 -4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.043 -2.528 -5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.517 -0.293 -4.243 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.413 -1.450 -3.279 1.00 0.00 H new ATOM 0 HE ARG A 22 8.192 -2.003 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.233 0.829 -3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.659 1.537 -4.552 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.038 -1.089 -6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.684 0.448 -6.326 1.00 0.00 H new ATOM 302 N SER A 23 2.522 -4.277 -4.161 1.00 0.00 N ATOM 303 CA SER A 23 1.458 -4.983 -3.468 1.00 0.00 C ATOM 304 C SER A 23 1.994 -5.599 -2.174 1.00 0.00 C ATOM 305 O SER A 23 3.205 -5.726 -1.998 1.00 0.00 O ATOM 306 CB SER A 23 0.845 -6.067 -4.357 1.00 0.00 C ATOM 307 OG SER A 23 0.148 -5.513 -5.470 1.00 0.00 O ATOM 0 H SER A 23 3.374 -4.820 -4.300 1.00 0.00 H new ATOM 0 HA SER A 23 0.675 -4.265 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.632 -6.730 -4.716 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.160 -6.676 -3.767 1.00 0.00 H new ATOM 0 HG SER A 23 -0.227 -6.237 -6.014 1.00 0.00 H new ATOM 313 N VAL A 24 1.066 -5.965 -1.302 1.00 0.00 N ATOM 314 CA VAL A 24 1.431 -6.564 -0.029 1.00 0.00 C ATOM 315 C VAL A 24 0.349 -7.563 0.387 1.00 0.00 C ATOM 316 O VAL A 24 -0.842 -7.280 0.268 1.00 0.00 O ATOM 317 CB VAL A 24 1.670 -5.472 1.015 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.065 -4.863 0.862 1.00 0.00 C ATOM 319 CG2 VAL A 24 0.588 -4.392 0.935 1.00 0.00 C ATOM 0 H VAL A 24 0.063 -5.858 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 24 2.366 -7.116 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 24 1.612 -5.932 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.209 -4.089 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.818 -5.641 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.164 -4.424 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.781 -3.627 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.600 -3.937 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.389 -4.841 1.116 1.00 0.00 H new ATOM 329 N GLU A 25 0.803 -8.712 0.868 1.00 0.00 N ATOM 330 CA GLU A 25 -0.111 -9.754 1.303 1.00 0.00 C ATOM 331 C GLU A 25 -0.374 -9.636 2.805 1.00 0.00 C ATOM 332 O GLU A 25 0.472 -10.005 3.618 1.00 0.00 O ATOM 333 CB GLU A 25 0.430 -11.141 0.948 1.00 0.00 C ATOM 334 CG GLU A 25 -0.469 -11.835 -0.076 1.00 0.00 C ATOM 335 CD GLU A 25 -0.474 -13.350 0.136 1.00 0.00 C ATOM 336 OE1 GLU A 25 0.525 -13.983 -0.269 1.00 0.00 O ATOM 337 OE2 GLU A 25 -1.477 -13.841 0.698 1.00 0.00 O ATOM 0 H GLU A 25 1.792 -8.944 0.966 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.057 -9.624 0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.440 -11.050 0.548 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.498 -11.750 1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.485 -11.449 0.007 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.122 -11.606 -1.084 1.00 0.00 H new ATOM 344 N VAL A 26 -1.551 -9.120 3.129 1.00 0.00 N ATOM 345 CA VAL A 26 -1.936 -8.949 4.519 1.00 0.00 C ATOM 346 C VAL A 26 -3.365 -9.460 4.715 1.00 0.00 C ATOM 347 O VAL A 26 -4.028 -9.843 3.752 1.00 0.00 O ATOM 348 CB VAL A 26 -1.763 -7.486 4.934 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.282 -7.115 5.030 1.00 0.00 C ATOM 350 CG2 VAL A 26 -2.501 -6.552 3.972 1.00 0.00 C ATOM 0 H VAL A 26 -2.250 -8.815 2.452 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.288 -9.537 5.169 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.204 -7.364 5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.187 -6.070 5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.204 -7.748 5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.193 -7.262 4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.362 -5.519 4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.103 -6.679 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.564 -6.793 3.975 1.00 0.00 H new ATOM 360 N ALA A 27 -3.797 -9.450 5.967 1.00 0.00 N ATOM 361 CA ALA A 27 -5.135 -9.908 6.301 1.00 0.00 C ATOM 362 C ALA A 27 -6.017 -8.700 6.625 1.00 0.00 C ATOM 363 O ALA A 27 -5.568 -7.559 6.539 1.00 0.00 O ATOM 364 CB ALA A 27 -5.059 -10.902 7.461 1.00 0.00 C ATOM 0 H ALA A 27 -3.244 -9.132 6.763 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.585 -10.427 5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.062 -11.246 7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.445 -11.755 7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.615 -10.415 8.329 1.00 0.00 H new ATOM 370 N ALA A 28 -7.256 -8.994 6.990 1.00 0.00 N ATOM 371 CA ALA A 28 -8.205 -7.947 7.327 1.00 0.00 C ATOM 372 C ALA A 28 -7.945 -7.470 8.757 1.00 0.00 C ATOM 373 O ALA A 28 -8.685 -7.818 9.676 1.00 0.00 O ATOM 374 CB ALA A 28 -9.630 -8.469 7.136 1.00 0.00 C ATOM 0 H ALA A 28 -7.625 -9.942 7.060 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.081 -7.089 6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.342 -7.684 7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.772 -8.767 6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.793 -9.329 7.786 1.00 0.00 H new ATOM 380 N GLY A 29 -6.891 -6.680 8.902 1.00 0.00 N ATOM 381 CA GLY A 29 -6.524 -6.152 10.204 1.00 0.00 C ATOM 382 C GLY A 29 -5.304 -5.234 10.101 1.00 0.00 C ATOM 383 O GLY A 29 -5.221 -4.225 10.798 1.00 0.00 O ATOM 0 H GLY A 29 -6.279 -6.393 8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.364 -5.600 10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.308 -6.974 10.886 1.00 0.00 H new ATOM 387 N ALA A 30 -4.388 -5.619 9.224 1.00 0.00 N ATOM 388 CA ALA A 30 -3.176 -4.843 9.020 1.00 0.00 C ATOM 389 C ALA A 30 -3.549 -3.386 8.740 1.00 0.00 C ATOM 390 O ALA A 30 -4.562 -3.114 8.097 1.00 0.00 O ATOM 391 CB ALA A 30 -2.358 -5.464 7.886 1.00 0.00 C ATOM 0 H ALA A 30 -4.461 -6.457 8.647 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.555 -4.857 9.916 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.449 -4.883 7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.094 -6.489 8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.948 -5.464 6.969 1.00 0.00 H new ATOM 397 N THR A 31 -2.712 -2.488 9.237 1.00 0.00 N ATOM 398 CA THR A 31 -2.941 -1.066 9.048 1.00 0.00 C ATOM 399 C THR A 31 -1.960 -0.499 8.019 1.00 0.00 C ATOM 400 O THR A 31 -1.153 -1.236 7.454 1.00 0.00 O ATOM 401 CB THR A 31 -2.847 -0.386 10.415 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.546 -0.730 10.885 1.00 0.00 O ATOM 403 CG2 THR A 31 -3.792 -1.009 11.445 1.00 0.00 C ATOM 0 H THR A 31 -1.874 -2.718 9.771 1.00 0.00 H new ATOM 0 HA THR A 31 -3.935 -0.877 8.642 1.00 0.00 H new ATOM 0 HB THR A 31 -3.074 0.675 10.309 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.317 -0.168 11.654 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.686 -0.490 12.397 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.821 -0.920 11.096 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.544 -2.062 11.576 1.00 0.00 H new ATOM 411 N ALA A 32 -2.062 0.805 7.807 1.00 0.00 N ATOM 412 CA ALA A 32 -1.194 1.479 6.857 1.00 0.00 C ATOM 413 C ALA A 32 0.265 1.159 7.189 1.00 0.00 C ATOM 414 O ALA A 32 0.989 0.614 6.358 1.00 0.00 O ATOM 415 CB ALA A 32 -1.482 2.981 6.879 1.00 0.00 C ATOM 0 H ALA A 32 -2.733 1.413 8.277 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.386 1.126 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.831 3.487 6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.523 3.156 6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.298 3.372 7.880 1.00 0.00 H new ATOM 421 N ARG A 33 0.652 1.512 8.406 1.00 0.00 N ATOM 422 CA ARG A 33 2.011 1.269 8.858 1.00 0.00 C ATOM 423 C ARG A 33 2.449 -0.150 8.489 1.00 0.00 C ATOM 424 O ARG A 33 3.449 -0.334 7.797 1.00 0.00 O ATOM 425 CB ARG A 33 2.129 1.453 10.373 1.00 0.00 C ATOM 426 CG ARG A 33 3.587 1.359 10.825 1.00 0.00 C ATOM 427 CD ARG A 33 3.949 -0.077 11.213 1.00 0.00 C ATOM 428 NE ARG A 33 3.616 -0.315 12.636 1.00 0.00 N ATOM 429 CZ ARG A 33 3.590 -1.526 13.208 1.00 0.00 C ATOM 430 NH1 ARG A 33 3.878 -2.616 12.484 1.00 0.00 N ATOM 431 NH2 ARG A 33 3.278 -1.648 14.506 1.00 0.00 N ATOM 0 H ARG A 33 0.048 1.964 9.093 1.00 0.00 H new ATOM 0 HA ARG A 33 2.658 1.993 8.363 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.718 2.421 10.658 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.537 0.693 10.882 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.243 1.699 10.024 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.752 2.022 11.675 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.407 -0.781 10.581 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.012 -0.251 11.045 1.00 0.00 H new ATOM 0 HE ARG A 33 3.393 0.493 13.217 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.117 -2.524 11.497 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.858 -3.538 12.920 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.060 -0.819 15.058 1.00 0.00 H new ATOM 0 HH22 ARG A 33 3.258 -2.570 14.941 1.00 0.00 H new ATOM 445 N HIS A 34 1.677 -1.116 8.966 1.00 0.00 N ATOM 446 CA HIS A 34 1.973 -2.512 8.694 1.00 0.00 C ATOM 447 C HIS A 34 2.465 -2.661 7.254 1.00 0.00 C ATOM 448 O HIS A 34 3.407 -3.407 6.990 1.00 0.00 O ATOM 449 CB HIS A 34 0.760 -3.393 9.001 1.00 0.00 C ATOM 450 CG HIS A 34 0.654 -3.811 10.448 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.338 -2.925 11.463 1.00 0.00 N ATOM 452 CD2 HIS A 34 0.825 -5.028 11.039 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.323 -3.590 12.609 1.00 0.00 C ATOM 454 NE2 HIS A 34 0.626 -4.893 12.344 1.00 0.00 N ATOM 0 H HIS A 34 0.848 -0.959 9.539 1.00 0.00 H new ATOM 0 HA HIS A 34 2.773 -2.853 9.351 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.146 -2.856 8.722 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.806 -4.286 8.378 1.00 0.00 H new ATOM 0 HD1 HIS A 34 0.149 -1.929 11.348 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.079 -5.946 10.531 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.108 -3.173 13.582 1.00 0.00 H new ATOM 462 N VAL A 35 1.806 -1.940 6.359 1.00 0.00 N ATOM 463 CA VAL A 35 2.165 -1.983 4.952 1.00 0.00 C ATOM 464 C VAL A 35 3.494 -1.253 4.746 1.00 0.00 C ATOM 465 O VAL A 35 4.394 -1.769 4.086 1.00 0.00 O ATOM 466 CB VAL A 35 1.029 -1.407 4.104 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.476 -1.203 2.655 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.213 -2.297 4.175 1.00 0.00 C ATOM 0 H VAL A 35 1.025 -1.322 6.581 1.00 0.00 H new ATOM 0 HA VAL A 35 2.306 -3.013 4.626 1.00 0.00 H new ATOM 0 HB VAL A 35 0.766 -0.432 4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.650 -0.793 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.318 -0.511 2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.779 -2.160 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.005 -1.865 3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.031 -3.292 3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.551 -2.369 5.209 1.00 0.00 H new ATOM 478 N CYS A 36 3.574 -0.063 5.324 1.00 0.00 N ATOM 479 CA CYS A 36 4.778 0.743 5.212 1.00 0.00 C ATOM 480 C CYS A 36 5.974 -0.121 5.615 1.00 0.00 C ATOM 481 O CYS A 36 6.999 -0.124 4.935 1.00 0.00 O ATOM 482 CB CYS A 36 4.685 2.017 6.055 1.00 0.00 C ATOM 483 SG CYS A 36 6.348 2.754 6.260 1.00 0.00 S ATOM 0 H CYS A 36 2.825 0.362 5.871 1.00 0.00 H new ATOM 0 HA CYS A 36 4.902 1.075 4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.018 2.733 5.575 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.257 1.787 7.031 1.00 0.00 H new ATOM 0 HG CYS A 36 6.742 3.257 5.128 1.00 0.00 H new ATOM 489 N GLU A 37 5.804 -0.834 6.719 1.00 0.00 N ATOM 490 CA GLU A 37 6.857 -1.701 7.220 1.00 0.00 C ATOM 491 C GLU A 37 7.292 -2.689 6.136 1.00 0.00 C ATOM 492 O GLU A 37 8.449 -2.688 5.717 1.00 0.00 O ATOM 493 CB GLU A 37 6.407 -2.437 8.483 1.00 0.00 C ATOM 494 CG GLU A 37 6.933 -1.740 9.740 1.00 0.00 C ATOM 495 CD GLU A 37 8.227 -2.395 10.228 1.00 0.00 C ATOM 496 OE1 GLU A 37 9.283 -2.066 9.646 1.00 0.00 O ATOM 497 OE2 GLU A 37 8.131 -3.209 11.172 1.00 0.00 O ATOM 0 H GLU A 37 4.953 -0.829 7.281 1.00 0.00 H new ATOM 0 HA GLU A 37 7.714 -1.082 7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.318 -2.480 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.766 -3.466 8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.112 -0.686 9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.180 -1.783 10.527 1.00 0.00 H new ATOM 504 N MET A 38 6.342 -3.509 5.711 1.00 0.00 N ATOM 505 CA MET A 38 6.612 -4.500 4.684 1.00 0.00 C ATOM 506 C MET A 38 7.242 -3.852 3.449 1.00 0.00 C ATOM 507 O MET A 38 8.281 -4.303 2.969 1.00 0.00 O ATOM 508 CB MET A 38 5.307 -5.194 4.287 1.00 0.00 C ATOM 509 CG MET A 38 4.702 -5.944 5.475 1.00 0.00 C ATOM 510 SD MET A 38 4.497 -7.670 5.067 1.00 0.00 S ATOM 511 CE MET A 38 2.935 -7.600 4.204 1.00 0.00 C ATOM 0 H MET A 38 5.383 -3.507 6.060 1.00 0.00 H new ATOM 0 HA MET A 38 7.314 -5.230 5.086 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.596 -4.455 3.918 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.495 -5.891 3.470 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.348 -5.842 6.347 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.739 -5.507 5.739 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.261 -8.354 4.610 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.493 -6.612 4.331 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.096 -7.792 3.143 1.00 0.00 H new ATOM 521 N LEU A 39 6.586 -2.805 2.970 1.00 0.00 N ATOM 522 CA LEU A 39 7.069 -2.091 1.801 1.00 0.00 C ATOM 523 C LEU A 39 8.492 -1.594 2.063 1.00 0.00 C ATOM 524 O LEU A 39 9.340 -1.628 1.172 1.00 0.00 O ATOM 525 CB LEU A 39 6.092 -0.980 1.411 1.00 0.00 C ATOM 526 CG LEU A 39 4.697 -1.435 0.978 1.00 0.00 C ATOM 527 CD1 LEU A 39 3.837 -0.241 0.560 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.782 -2.494 -0.123 1.00 0.00 C ATOM 0 H LEU A 39 5.724 -2.434 3.370 1.00 0.00 H new ATOM 0 HA LEU A 39 7.118 -2.758 0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.985 -0.303 2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.533 -0.404 0.598 1.00 0.00 H new ATOM 0 HG LEU A 39 4.208 -1.900 1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.850 -0.592 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.736 0.446 1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.311 0.274 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.777 -2.800 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.298 -2.078 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.332 -3.359 0.246 1.00 0.00 H new ATOM 540 N VAL A 40 8.711 -1.145 3.290 1.00 0.00 N ATOM 541 CA VAL A 40 10.017 -0.642 3.682 1.00 0.00 C ATOM 542 C VAL A 40 11.074 -1.716 3.414 1.00 0.00 C ATOM 543 O VAL A 40 12.151 -1.418 2.900 1.00 0.00 O ATOM 544 CB VAL A 40 9.986 -0.185 5.141 1.00 0.00 C ATOM 545 CG1 VAL A 40 11.145 -0.796 5.932 1.00 0.00 C ATOM 546 CG2 VAL A 40 10.001 1.342 5.238 1.00 0.00 C ATOM 0 H VAL A 40 8.006 -1.119 4.026 1.00 0.00 H new ATOM 0 HA VAL A 40 10.283 0.232 3.088 1.00 0.00 H new ATOM 0 HB VAL A 40 9.055 -0.540 5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.099 -0.455 6.966 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.071 -1.883 5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.091 -0.486 5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.978 1.640 6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.907 1.727 4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.128 1.748 4.726 1.00 0.00 H new ATOM 556 N GLN A 41 10.728 -2.944 3.774 1.00 0.00 N ATOM 557 CA GLN A 41 11.633 -4.064 3.579 1.00 0.00 C ATOM 558 C GLN A 41 12.928 -3.842 4.363 1.00 0.00 C ATOM 559 O GLN A 41 13.222 -2.723 4.780 1.00 0.00 O ATOM 560 CB GLN A 41 11.923 -4.282 2.093 1.00 0.00 C ATOM 561 CG GLN A 41 10.640 -4.609 1.326 1.00 0.00 C ATOM 562 CD GLN A 41 10.953 -5.342 0.020 1.00 0.00 C ATOM 563 OE1 GLN A 41 11.760 -4.910 -0.786 1.00 0.00 O ATOM 564 NE2 GLN A 41 10.271 -6.472 -0.143 1.00 0.00 N ATOM 0 H GLN A 41 9.834 -3.187 4.199 1.00 0.00 H new ATOM 0 HA GLN A 41 11.151 -4.966 3.958 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.384 -3.387 1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.639 -5.095 1.974 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.989 -5.225 1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.097 -3.689 1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.610 -6.776 0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.409 -7.034 -0.983 1.00 0.00 H new ATOM 573 N ARG A 42 13.667 -4.927 4.541 1.00 0.00 N ATOM 574 CA ARG A 42 14.924 -4.866 5.268 1.00 0.00 C ATOM 575 C ARG A 42 14.663 -4.741 6.771 1.00 0.00 C ATOM 576 O ARG A 42 14.708 -3.643 7.323 1.00 0.00 O ATOM 577 CB ARG A 42 15.771 -3.679 4.804 1.00 0.00 C ATOM 578 CG ARG A 42 17.131 -4.147 4.283 1.00 0.00 C ATOM 579 CD ARG A 42 17.050 -4.530 2.804 1.00 0.00 C ATOM 580 NE ARG A 42 17.882 -3.611 1.997 1.00 0.00 N ATOM 581 CZ ARG A 42 19.216 -3.694 1.901 1.00 0.00 C ATOM 582 NH1 ARG A 42 19.877 -4.654 2.561 1.00 0.00 N ATOM 583 NH2 ARG A 42 19.889 -2.816 1.144 1.00 0.00 N ATOM 0 H ARG A 42 13.419 -5.854 4.194 1.00 0.00 H new ATOM 0 HA ARG A 42 15.469 -5.788 5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.244 -3.136 4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 42 15.914 -2.984 5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 42 17.868 -3.355 4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 42 17.473 -5.003 4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 42 17.390 -5.557 2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 42 16.015 -4.489 2.465 1.00 0.00 H new ATOM 0 HE ARG A 42 17.411 -2.868 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 42 19.365 -5.322 3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 42 20.892 -4.717 2.488 1.00 0.00 H new ATOM 0 HH21 ARG A 42 19.386 -2.085 0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 42 20.904 -2.879 1.071 1.00 0.00 H new ATOM 597 N ALA A 43 14.394 -5.881 7.389 1.00 0.00 N ATOM 598 CA ALA A 43 14.125 -5.913 8.817 1.00 0.00 C ATOM 599 C ALA A 43 15.141 -5.028 9.542 1.00 0.00 C ATOM 600 O ALA A 43 16.198 -4.715 8.997 1.00 0.00 O ATOM 601 CB ALA A 43 14.156 -7.361 9.310 1.00 0.00 C ATOM 0 H ALA A 43 14.356 -6.790 6.927 1.00 0.00 H new ATOM 0 HA ALA A 43 13.132 -5.518 9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.954 -7.385 10.381 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.397 -7.941 8.785 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.139 -7.790 9.116 1.00 0.00 H new ATOM 607 N HIS A 44 14.784 -4.649 10.761 1.00 0.00 N ATOM 608 CA HIS A 44 15.650 -3.806 11.567 1.00 0.00 C ATOM 609 C HIS A 44 15.825 -2.449 10.883 1.00 0.00 C ATOM 610 O HIS A 44 16.650 -2.305 9.982 1.00 0.00 O ATOM 611 CB HIS A 44 16.982 -4.506 11.845 1.00 0.00 C ATOM 612 CG HIS A 44 16.879 -5.658 12.816 1.00 0.00 C ATOM 613 ND1 HIS A 44 16.242 -5.552 14.040 1.00 0.00 N ATOM 614 CD2 HIS A 44 17.339 -6.939 12.730 1.00 0.00 C ATOM 615 CE1 HIS A 44 16.321 -6.723 14.655 1.00 0.00 C ATOM 616 NE2 HIS A 44 17.001 -7.581 13.842 1.00 0.00 N ATOM 0 H HIS A 44 13.906 -4.911 11.210 1.00 0.00 H new ATOM 0 HA HIS A 44 15.190 -3.628 12.539 1.00 0.00 H new ATOM 0 HB2 HIS A 44 17.391 -4.873 10.904 1.00 0.00 H new ATOM 0 HB3 HIS A 44 17.690 -3.776 12.237 1.00 0.00 H new ATOM 0 HD2 HIS A 44 17.885 -7.360 11.899 1.00 0.00 H new ATOM 0 HE1 HIS A 44 15.918 -6.957 15.629 1.00 0.00 H new ATOM 0 HE2 HIS A 44 17.215 -8.556 14.053 1.00 0.00 H new ATOM 624 N ALA A 45 15.036 -1.487 11.339 1.00 0.00 N ATOM 625 CA ALA A 45 15.093 -0.146 10.784 1.00 0.00 C ATOM 626 C ALA A 45 16.110 0.685 11.570 1.00 0.00 C ATOM 627 O ALA A 45 17.090 1.169 11.006 1.00 0.00 O ATOM 628 CB ALA A 45 13.695 0.475 10.802 1.00 0.00 C ATOM 0 H ALA A 45 14.354 -1.610 12.087 1.00 0.00 H new ATOM 0 HA ALA A 45 15.423 -0.175 9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.738 1.481 10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.018 -0.136 10.205 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.331 0.523 11.828 1.00 0.00 H new ATOM 634 N LEU A 46 15.842 0.823 12.860 1.00 0.00 N ATOM 635 CA LEU A 46 16.721 1.586 13.729 1.00 0.00 C ATOM 636 C LEU A 46 16.667 3.063 13.333 1.00 0.00 C ATOM 637 O LEU A 46 16.038 3.870 14.016 1.00 0.00 O ATOM 638 CB LEU A 46 18.133 0.997 13.715 1.00 0.00 C ATOM 639 CG LEU A 46 18.527 0.171 14.940 1.00 0.00 C ATOM 640 CD1 LEU A 46 17.822 -1.187 14.937 1.00 0.00 C ATOM 641 CD2 LEU A 46 20.047 0.027 15.039 1.00 0.00 C ATOM 0 H LEU A 46 15.028 0.419 13.324 1.00 0.00 H new ATOM 0 HA LEU A 46 16.384 1.520 14.763 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.234 0.369 12.830 1.00 0.00 H new ATOM 0 HB3 LEU A 46 18.845 1.815 13.609 1.00 0.00 H new ATOM 0 HG LEU A 46 18.195 0.704 15.831 1.00 0.00 H new ATOM 0 HD11 LEU A 46 18.120 -1.754 15.819 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.743 -1.037 14.950 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.100 -1.739 14.040 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.300 -0.565 15.919 1.00 0.00 H new ATOM 0 HD22 LEU A 46 20.424 -0.471 14.146 1.00 0.00 H new ATOM 0 HD23 LEU A 46 20.501 1.014 15.123 1.00 0.00 H new ATOM 653 N SER A 47 17.334 3.372 12.230 1.00 0.00 N ATOM 654 CA SER A 47 17.370 4.737 11.735 1.00 0.00 C ATOM 655 C SER A 47 16.653 4.823 10.386 1.00 0.00 C ATOM 656 O SER A 47 17.088 4.217 9.408 1.00 0.00 O ATOM 657 CB SER A 47 18.809 5.238 11.604 1.00 0.00 C ATOM 658 OG SER A 47 18.911 6.639 11.841 1.00 0.00 O ATOM 0 H SER A 47 17.854 2.700 11.666 1.00 0.00 H new ATOM 0 HA SER A 47 16.856 5.375 12.454 1.00 0.00 H new ATOM 0 HB2 SER A 47 19.444 4.704 12.310 1.00 0.00 H new ATOM 0 HB3 SER A 47 19.182 5.011 10.605 1.00 0.00 H new ATOM 0 HG SER A 47 19.846 6.919 11.750 1.00 0.00 H new ATOM 664 N ASP A 48 15.566 5.581 10.376 1.00 0.00 N ATOM 665 CA ASP A 48 14.785 5.754 9.163 1.00 0.00 C ATOM 666 C ASP A 48 13.603 6.682 9.451 1.00 0.00 C ATOM 667 O ASP A 48 13.362 7.047 10.600 1.00 0.00 O ATOM 668 CB ASP A 48 14.228 4.417 8.671 1.00 0.00 C ATOM 669 CG ASP A 48 13.184 3.775 9.587 1.00 0.00 C ATOM 670 OD1 ASP A 48 13.436 3.762 10.812 1.00 0.00 O ATOM 671 OD2 ASP A 48 12.159 3.313 9.043 1.00 0.00 O ATOM 0 H ASP A 48 15.208 6.082 11.189 1.00 0.00 H new ATOM 0 HA ASP A 48 15.438 6.175 8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.784 4.566 7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.056 3.720 8.545 1.00 0.00 H new ATOM 676 N GLU A 49 12.898 7.036 8.386 1.00 0.00 N ATOM 677 CA GLU A 49 11.747 7.915 8.510 1.00 0.00 C ATOM 678 C GLU A 49 10.517 7.118 8.949 1.00 0.00 C ATOM 679 O GLU A 49 10.494 5.893 8.840 1.00 0.00 O ATOM 680 CB GLU A 49 11.481 8.658 7.200 1.00 0.00 C ATOM 681 CG GLU A 49 11.277 10.153 7.449 1.00 0.00 C ATOM 682 CD GLU A 49 11.076 10.906 6.132 1.00 0.00 C ATOM 683 OE1 GLU A 49 11.967 10.780 5.264 1.00 0.00 O ATOM 684 OE2 GLU A 49 10.035 11.591 6.023 1.00 0.00 O ATOM 0 H GLU A 49 13.101 6.730 7.434 1.00 0.00 H new ATOM 0 HA GLU A 49 11.964 8.661 9.274 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.318 8.510 6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.598 8.243 6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.411 10.303 8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.141 10.559 7.976 1.00 0.00 H new ATOM 691 N THR A 50 9.523 7.847 9.436 1.00 0.00 N ATOM 692 CA THR A 50 8.292 7.223 9.891 1.00 0.00 C ATOM 693 C THR A 50 7.553 6.580 8.716 1.00 0.00 C ATOM 694 O THR A 50 7.135 5.426 8.797 1.00 0.00 O ATOM 695 CB THR A 50 7.466 8.285 10.620 1.00 0.00 C ATOM 696 OG1 THR A 50 8.068 8.369 11.909 1.00 0.00 O ATOM 697 CG2 THR A 50 6.036 7.821 10.906 1.00 0.00 C ATOM 0 H THR A 50 9.545 8.863 9.525 1.00 0.00 H new ATOM 0 HA THR A 50 8.495 6.411 10.589 1.00 0.00 H new ATOM 0 HB THR A 50 7.439 9.196 10.023 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.595 9.037 12.448 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.494 8.612 11.424 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.533 7.592 9.967 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.061 6.928 11.531 1.00 0.00 H new ATOM 705 N TRP A 51 7.414 7.355 7.650 1.00 0.00 N ATOM 706 CA TRP A 51 6.733 6.875 6.460 1.00 0.00 C ATOM 707 C TRP A 51 5.284 6.563 6.838 1.00 0.00 C ATOM 708 O TRP A 51 4.942 6.520 8.019 1.00 0.00 O ATOM 709 CB TRP A 51 7.465 5.676 5.855 1.00 0.00 C ATOM 710 CG TRP A 51 8.733 6.045 5.083 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.956 6.291 5.574 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.854 6.202 3.654 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.852 6.593 4.569 1.00 0.00 N ATOM 714 CE2 TRP A 51 10.161 6.537 3.364 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.891 6.065 2.638 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.625 6.763 2.063 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.370 6.294 1.343 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.683 6.633 1.035 1.00 0.00 C ATOM 0 H TRP A 51 7.761 8.312 7.586 1.00 0.00 H new ATOM 0 HA TRP A 51 6.733 7.638 5.682 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.727 4.983 6.654 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.785 5.148 5.186 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.208 6.257 6.624 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.840 6.816 4.688 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.863 5.804 2.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.654 7.024 1.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.671 6.201 0.525 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.975 6.795 0.008 1.00 0.00 H new ATOM 729 N GLY A 52 4.470 6.352 5.813 1.00 0.00 N ATOM 730 CA GLY A 52 3.066 6.045 6.023 1.00 0.00 C ATOM 731 C GLY A 52 2.338 5.869 4.689 1.00 0.00 C ATOM 732 O GLY A 52 2.945 5.985 3.626 1.00 0.00 O ATOM 0 H GLY A 52 4.757 6.388 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.974 5.134 6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.597 6.845 6.595 1.00 0.00 H new ATOM 736 N LEU A 53 1.046 5.593 4.789 1.00 0.00 N ATOM 737 CA LEU A 53 0.228 5.400 3.603 1.00 0.00 C ATOM 738 C LEU A 53 -0.598 6.662 3.348 1.00 0.00 C ATOM 739 O LEU A 53 -0.838 7.447 4.265 1.00 0.00 O ATOM 740 CB LEU A 53 -0.614 4.129 3.734 1.00 0.00 C ATOM 741 CG LEU A 53 -0.094 2.900 2.986 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.125 1.770 3.005 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.331 3.264 1.562 1.00 0.00 C ATOM 0 H LEU A 53 0.545 5.498 5.673 1.00 0.00 H new ATOM 0 HA LEU A 53 0.857 5.248 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.696 3.878 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.622 4.346 3.379 1.00 0.00 H new ATOM 0 HG LEU A 53 0.793 2.535 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.730 0.908 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.336 1.488 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.044 2.108 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.697 2.373 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.524 3.668 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.123 4.012 1.599 1.00 0.00 H new ATOM 755 N VAL A 54 -1.011 6.818 2.099 1.00 0.00 N ATOM 756 CA VAL A 54 -1.805 7.972 1.712 1.00 0.00 C ATOM 757 C VAL A 54 -2.906 7.527 0.747 1.00 0.00 C ATOM 758 O VAL A 54 -2.622 7.105 -0.373 1.00 0.00 O ATOM 759 CB VAL A 54 -0.901 9.058 1.127 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.684 10.349 0.879 1.00 0.00 C ATOM 761 CG2 VAL A 54 0.306 9.313 2.032 1.00 0.00 C ATOM 0 H VAL A 54 -0.811 6.165 1.342 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.293 8.409 2.583 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.529 8.703 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.018 11.105 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.494 10.154 0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.099 10.710 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.932 10.089 1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.038 9.637 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.884 8.395 2.134 1.00 0.00 H new ATOM 771 N GLU A 55 -4.140 7.636 1.217 1.00 0.00 N ATOM 772 CA GLU A 55 -5.285 7.250 0.410 1.00 0.00 C ATOM 773 C GLU A 55 -5.536 8.288 -0.687 1.00 0.00 C ATOM 774 O GLU A 55 -6.054 9.370 -0.415 1.00 0.00 O ATOM 775 CB GLU A 55 -6.530 7.059 1.279 1.00 0.00 C ATOM 776 CG GLU A 55 -6.954 8.379 1.926 1.00 0.00 C ATOM 777 CD GLU A 55 -7.432 8.157 3.362 1.00 0.00 C ATOM 778 OE1 GLU A 55 -8.618 7.793 3.515 1.00 0.00 O ATOM 779 OE2 GLU A 55 -6.601 8.355 4.275 1.00 0.00 O ATOM 0 H GLU A 55 -4.372 7.986 2.147 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.064 6.294 -0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.346 6.669 0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.328 6.319 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.116 9.076 1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.752 8.836 1.340 1.00 0.00 H new ATOM 786 N CYS A 56 -5.157 7.921 -1.902 1.00 0.00 N ATOM 787 CA CYS A 56 -5.334 8.807 -3.040 1.00 0.00 C ATOM 788 C CYS A 56 -6.754 8.620 -3.578 1.00 0.00 C ATOM 789 O CYS A 56 -7.277 7.506 -3.587 1.00 0.00 O ATOM 790 CB CYS A 56 -4.278 8.559 -4.119 1.00 0.00 C ATOM 791 SG CYS A 56 -2.897 9.744 -3.927 1.00 0.00 S ATOM 0 H CYS A 56 -4.728 7.022 -2.123 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.200 9.841 -2.723 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.904 7.538 -4.046 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.724 8.665 -5.108 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.235 9.823 -5.043 1.00 0.00 H new ATOM 797 N HIS A 57 -7.338 9.727 -4.012 1.00 0.00 N ATOM 798 CA HIS A 57 -8.688 9.699 -4.550 1.00 0.00 C ATOM 799 C HIS A 57 -8.654 10.047 -6.040 1.00 0.00 C ATOM 800 O HIS A 57 -8.675 11.220 -6.407 1.00 0.00 O ATOM 801 CB HIS A 57 -9.612 10.618 -3.748 1.00 0.00 C ATOM 802 CG HIS A 57 -9.877 10.143 -2.339 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.163 8.824 -2.034 1.00 0.00 N ATOM 804 CD2 HIS A 57 -9.896 10.824 -1.158 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.345 8.727 -0.725 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.179 9.968 -0.184 1.00 0.00 N ATOM 0 H HIS A 57 -6.902 10.649 -4.002 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.100 8.694 -4.456 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.172 11.614 -3.708 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.562 10.710 -4.274 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.712 11.881 -1.036 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.583 7.824 -0.182 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.259 10.200 0.806 1.00 0.00 H new ATOM 814 N PRO A 58 -8.601 8.978 -6.878 1.00 0.00 N ATOM 815 CA PRO A 58 -8.564 9.158 -8.320 1.00 0.00 C ATOM 816 C PRO A 58 -9.940 9.556 -8.858 1.00 0.00 C ATOM 817 O PRO A 58 -10.479 8.894 -9.744 1.00 0.00 O ATOM 818 CB PRO A 58 -8.072 7.830 -8.870 1.00 0.00 C ATOM 819 CG PRO A 58 -8.296 6.812 -7.764 1.00 0.00 C ATOM 820 CD PRO A 58 -8.575 7.574 -6.478 1.00 0.00 C ATOM 0 HA PRO A 58 -7.903 9.969 -8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.619 7.554 -9.771 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.018 7.886 -9.141 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.133 6.159 -8.010 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.419 6.175 -7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.524 7.271 -6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.802 7.389 -5.732 1.00 0.00 H new ATOM 828 N HIS A 59 -10.469 10.635 -8.300 1.00 0.00 N ATOM 829 CA HIS A 59 -11.771 11.129 -8.713 1.00 0.00 C ATOM 830 C HIS A 59 -11.986 12.538 -8.158 1.00 0.00 C ATOM 831 O HIS A 59 -12.489 13.416 -8.858 1.00 0.00 O ATOM 832 CB HIS A 59 -12.877 10.155 -8.301 1.00 0.00 C ATOM 833 CG HIS A 59 -12.816 9.733 -6.853 1.00 0.00 C ATOM 834 ND1 HIS A 59 -11.667 9.233 -6.266 1.00 0.00 N ATOM 835 CD2 HIS A 59 -13.772 9.743 -5.880 1.00 0.00 C ATOM 836 CE1 HIS A 59 -11.931 8.956 -4.997 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.237 9.273 -4.760 1.00 0.00 N ATOM 0 H HIS A 59 -10.019 11.181 -7.565 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.810 11.195 -9.800 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.845 10.618 -8.493 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.818 9.267 -8.930 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.792 10.077 -6.001 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.235 8.551 -4.277 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.722 9.166 -3.869 1.00 0.00 H new ATOM 845 N LEU A 60 -11.593 12.712 -6.904 1.00 0.00 N ATOM 846 CA LEU A 60 -11.735 14.000 -6.247 1.00 0.00 C ATOM 847 C LEU A 60 -10.378 14.704 -6.214 1.00 0.00 C ATOM 848 O LEU A 60 -10.278 15.847 -5.771 1.00 0.00 O ATOM 849 CB LEU A 60 -12.372 13.829 -4.866 1.00 0.00 C ATOM 850 CG LEU A 60 -13.223 12.572 -4.671 1.00 0.00 C ATOM 851 CD1 LEU A 60 -13.782 12.504 -3.248 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.329 12.490 -5.725 1.00 0.00 C ATOM 0 H LEU A 60 -11.176 11.982 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.413 14.641 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.578 13.826 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.995 14.700 -4.665 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.582 11.701 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.383 11.602 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.958 12.483 -2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.403 13.379 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.919 11.588 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.974 13.365 -5.644 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.883 12.459 -6.719 1.00 0.00 H new ATOM 864 N ALA A 61 -9.366 13.993 -6.690 1.00 0.00 N ATOM 865 CA ALA A 61 -8.019 14.535 -6.721 1.00 0.00 C ATOM 866 C ALA A 61 -7.620 14.982 -5.313 1.00 0.00 C ATOM 867 O ALA A 61 -7.204 16.122 -5.114 1.00 0.00 O ATOM 868 CB ALA A 61 -7.952 15.679 -7.736 1.00 0.00 C ATOM 0 H ALA A 61 -9.453 13.045 -7.058 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.307 13.774 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.941 16.086 -7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.215 15.304 -8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.652 16.463 -7.447 1.00 0.00 H new ATOM 874 N LEU A 62 -7.763 14.060 -4.372 1.00 0.00 N ATOM 875 CA LEU A 62 -7.423 14.344 -2.988 1.00 0.00 C ATOM 876 C LEU A 62 -6.374 13.338 -2.508 1.00 0.00 C ATOM 877 O LEU A 62 -6.208 12.277 -3.106 1.00 0.00 O ATOM 878 CB LEU A 62 -8.684 14.377 -2.123 1.00 0.00 C ATOM 879 CG LEU A 62 -8.899 15.649 -1.300 1.00 0.00 C ATOM 880 CD1 LEU A 62 -9.198 16.845 -2.206 1.00 0.00 C ATOM 881 CD2 LEU A 62 -9.989 15.442 -0.246 1.00 0.00 C ATOM 0 H LEU A 62 -8.110 13.116 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.978 15.335 -2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.549 14.237 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.655 13.527 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.974 15.872 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.347 17.736 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.360 17.006 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.100 16.647 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.122 16.361 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.926 15.182 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.696 14.636 0.427 1.00 0.00 H new ATOM 893 N GLU A 63 -5.694 13.709 -1.433 1.00 0.00 N ATOM 894 CA GLU A 63 -4.667 12.852 -0.866 1.00 0.00 C ATOM 895 C GLU A 63 -4.647 12.985 0.658 1.00 0.00 C ATOM 896 O GLU A 63 -4.273 14.029 1.190 1.00 0.00 O ATOM 897 CB GLU A 63 -3.295 13.174 -1.462 1.00 0.00 C ATOM 898 CG GLU A 63 -3.207 12.710 -2.917 1.00 0.00 C ATOM 899 CD GLU A 63 -3.290 13.898 -3.877 1.00 0.00 C ATOM 900 OE1 GLU A 63 -4.432 14.318 -4.164 1.00 0.00 O ATOM 901 OE2 GLU A 63 -2.209 14.360 -4.304 1.00 0.00 O ATOM 0 H GLU A 63 -5.834 14.591 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.903 11.818 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.114 14.247 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.516 12.689 -0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.271 12.174 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.015 12.010 -3.129 1.00 0.00 H new ATOM 908 N ARG A 64 -5.054 11.911 1.319 1.00 0.00 N ATOM 909 CA ARG A 64 -5.088 11.894 2.772 1.00 0.00 C ATOM 910 C ARG A 64 -4.182 10.785 3.311 1.00 0.00 C ATOM 911 O ARG A 64 -4.089 9.712 2.718 1.00 0.00 O ATOM 912 CB ARG A 64 -6.512 11.676 3.287 1.00 0.00 C ATOM 913 CG ARG A 64 -6.577 11.844 4.806 1.00 0.00 C ATOM 914 CD ARG A 64 -7.183 13.198 5.183 1.00 0.00 C ATOM 915 NE ARG A 64 -8.660 13.106 5.192 1.00 0.00 N ATOM 916 CZ ARG A 64 -9.464 13.994 5.793 1.00 0.00 C ATOM 917 NH1 ARG A 64 -8.938 15.045 6.437 1.00 0.00 N ATOM 918 NH2 ARG A 64 -10.793 13.831 5.749 1.00 0.00 N ATOM 0 H ARG A 64 -5.363 11.046 0.875 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.731 12.862 3.124 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.188 12.386 2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.853 10.678 3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.174 11.041 5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.576 11.760 5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.824 13.506 6.165 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.862 13.960 4.473 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.093 12.318 4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.926 15.169 6.470 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.550 15.721 6.895 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.193 13.031 5.258 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.405 14.507 6.206 1.00 0.00 H new ATOM 932 N GLY A 65 -3.538 11.083 4.430 1.00 0.00 N ATOM 933 CA GLY A 65 -2.643 10.125 5.055 1.00 0.00 C ATOM 934 C GLY A 65 -3.237 9.590 6.360 1.00 0.00 C ATOM 935 O GLY A 65 -3.791 10.351 7.151 1.00 0.00 O ATOM 0 H GLY A 65 -3.618 11.974 4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.455 9.298 4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.681 10.598 5.256 1.00 0.00 H new ATOM 939 N LEU A 66 -3.101 8.285 6.543 1.00 0.00 N ATOM 940 CA LEU A 66 -3.618 7.640 7.738 1.00 0.00 C ATOM 941 C LEU A 66 -2.449 7.212 8.628 1.00 0.00 C ATOM 942 O LEU A 66 -1.294 7.257 8.206 1.00 0.00 O ATOM 943 CB LEU A 66 -4.557 6.491 7.363 1.00 0.00 C ATOM 944 CG LEU A 66 -4.033 5.513 6.310 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.680 4.136 6.471 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.221 6.074 4.899 1.00 0.00 C ATOM 0 H LEU A 66 -2.641 7.657 5.884 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.221 8.339 8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.791 5.929 8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.493 6.916 7.001 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.962 5.385 6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.290 3.460 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.451 3.740 7.460 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.760 4.226 6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.840 5.359 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.281 6.250 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.676 7.013 4.805 1.00 0.00 H new ATOM 958 N GLU A 67 -2.788 6.808 9.843 1.00 0.00 N ATOM 959 CA GLU A 67 -1.781 6.373 10.796 1.00 0.00 C ATOM 960 C GLU A 67 -1.663 4.848 10.784 1.00 0.00 C ATOM 961 O GLU A 67 -2.237 4.183 9.922 1.00 0.00 O ATOM 962 CB GLU A 67 -2.098 6.888 12.201 1.00 0.00 C ATOM 963 CG GLU A 67 -1.292 8.149 12.518 1.00 0.00 C ATOM 964 CD GLU A 67 -0.617 8.039 13.887 1.00 0.00 C ATOM 965 OE1 GLU A 67 0.436 7.368 13.948 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.169 8.629 14.841 1.00 0.00 O ATOM 0 H GLU A 67 -3.747 6.773 10.190 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.821 6.794 10.499 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.163 7.103 12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.873 6.114 12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.537 8.305 11.748 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.949 9.019 12.501 1.00 0.00 H new ATOM 973 N ASP A 68 -0.915 4.336 11.751 1.00 0.00 N ATOM 974 CA ASP A 68 -0.714 2.902 11.863 1.00 0.00 C ATOM 975 C ASP A 68 -1.938 2.270 12.529 1.00 0.00 C ATOM 976 O ASP A 68 -2.169 1.069 12.400 1.00 0.00 O ATOM 977 CB ASP A 68 0.510 2.582 12.723 1.00 0.00 C ATOM 978 CG ASP A 68 0.299 2.735 14.230 1.00 0.00 C ATOM 979 OD1 ASP A 68 0.125 3.894 14.665 1.00 0.00 O ATOM 980 OD2 ASP A 68 0.317 1.689 14.914 1.00 0.00 O ATOM 0 H ASP A 68 -0.441 4.890 12.464 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.563 2.504 10.860 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.822 1.558 12.517 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.330 3.233 12.418 1.00 0.00 H new ATOM 985 N HIS A 69 -2.690 3.108 13.228 1.00 0.00 N ATOM 986 CA HIS A 69 -3.884 2.647 13.915 1.00 0.00 C ATOM 987 C HIS A 69 -5.060 2.616 12.937 1.00 0.00 C ATOM 988 O HIS A 69 -6.180 2.281 13.317 1.00 0.00 O ATOM 989 CB HIS A 69 -4.164 3.503 15.152 1.00 0.00 C ATOM 990 CG HIS A 69 -4.802 4.837 14.844 1.00 0.00 C ATOM 991 ND1 HIS A 69 -4.080 6.016 14.776 1.00 0.00 N ATOM 992 CD2 HIS A 69 -6.101 5.165 14.585 1.00 0.00 C ATOM 993 CE1 HIS A 69 -4.917 7.003 14.490 1.00 0.00 C ATOM 994 NE2 HIS A 69 -6.168 6.473 14.373 1.00 0.00 N ATOM 0 H HIS A 69 -2.495 4.104 13.333 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.730 1.630 14.276 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.816 2.947 15.826 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.227 3.674 15.683 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.933 4.477 14.557 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.655 8.044 14.371 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -7.016 6.997 14.158 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.764 2.971 11.695 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.782 2.988 10.659 1.00 0.00 C ATOM 1004 C GLU A 70 -5.692 1.722 9.805 1.00 0.00 C ATOM 1005 O GLU A 70 -4.675 1.476 9.157 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.662 4.243 9.792 1.00 0.00 C ATOM 1007 CG GLU A 70 -6.098 5.488 10.567 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.621 5.642 10.545 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -8.282 4.840 11.239 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -8.088 6.558 9.834 1.00 0.00 O ATOM 0 H GLU A 70 -3.833 3.249 11.383 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.760 3.010 11.139 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.631 4.361 9.457 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.277 4.132 8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.751 5.419 11.598 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.633 6.373 10.132 1.00 0.00 H new ATOM 1017 N SER A 71 -6.769 0.951 9.830 1.00 0.00 N ATOM 1018 CA SER A 71 -6.825 -0.284 9.067 1.00 0.00 C ATOM 1019 C SER A 71 -7.079 0.025 7.590 1.00 0.00 C ATOM 1020 O SER A 71 -8.157 0.495 7.227 1.00 0.00 O ATOM 1021 CB SER A 71 -7.909 -1.218 9.608 1.00 0.00 C ATOM 1022 OG SER A 71 -7.413 -2.534 9.838 1.00 0.00 O ATOM 0 H SER A 71 -7.611 1.158 10.367 1.00 0.00 H new ATOM 0 HA SER A 71 -5.865 -0.791 9.166 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.306 -0.812 10.539 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.737 -1.261 8.900 1.00 0.00 H new ATOM 0 HG SER A 71 -6.539 -2.482 10.279 1.00 0.00 H new ATOM 1028 N VAL A 72 -6.069 -0.251 6.778 1.00 0.00 N ATOM 1029 CA VAL A 72 -6.170 -0.009 5.349 1.00 0.00 C ATOM 1030 C VAL A 72 -7.477 -0.607 4.825 1.00 0.00 C ATOM 1031 O VAL A 72 -8.170 0.014 4.021 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.933 -0.559 4.636 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.791 0.459 4.656 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.493 -1.890 5.250 1.00 0.00 C ATOM 0 H VAL A 72 -5.177 -0.640 7.083 1.00 0.00 H new ATOM 0 HA VAL A 72 -6.198 1.061 5.145 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.200 -0.742 3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.924 0.043 4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.108 1.372 4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.526 0.688 5.688 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.612 -2.259 4.725 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.253 -1.743 6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.300 -2.617 5.160 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.776 -1.806 5.304 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.988 -2.495 4.894 1.00 0.00 C ATOM 1046 C VAL A 73 -10.206 -1.674 5.323 1.00 0.00 C ATOM 1047 O VAL A 73 -11.008 -1.263 4.486 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.997 -3.917 5.458 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -10.109 -4.752 4.820 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.634 -4.588 5.275 1.00 0.00 C ATOM 0 H VAL A 73 -7.200 -2.318 5.972 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.026 -2.590 3.809 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.198 -3.852 6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.094 -5.758 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.074 -4.289 5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.952 -4.804 3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.668 -5.598 5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.391 -4.635 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.871 -4.010 5.797 1.00 0.00 H new ATOM 1060 N GLU A 74 -10.305 -1.460 6.627 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.412 -0.696 7.177 1.00 0.00 C ATOM 1062 C GLU A 74 -11.559 0.634 6.435 1.00 0.00 C ATOM 1063 O GLU A 74 -12.674 1.074 6.157 1.00 0.00 O ATOM 1064 CB GLU A 74 -11.228 -0.468 8.679 1.00 0.00 C ATOM 1065 CG GLU A 74 -11.300 -1.790 9.446 1.00 0.00 C ATOM 1066 CD GLU A 74 -11.493 -1.544 10.944 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -10.499 -1.138 11.585 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -12.629 -1.769 11.415 1.00 0.00 O ATOM 0 H GLU A 74 -9.637 -1.802 7.318 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.328 -1.270 7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.267 0.012 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.998 0.211 9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.124 -2.392 9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.386 -2.360 9.282 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.418 1.238 6.136 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.406 2.509 5.432 1.00 0.00 C ATOM 1077 C VAL A 75 -10.711 2.270 3.951 1.00 0.00 C ATOM 1078 O VAL A 75 -11.261 3.140 3.279 1.00 0.00 O ATOM 1079 CB VAL A 75 -9.071 3.221 5.660 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.987 4.505 4.833 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.852 3.511 7.146 1.00 0.00 C ATOM 0 H VAL A 75 -9.495 0.871 6.369 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.182 3.169 5.821 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.275 2.555 5.327 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.029 4.992 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.077 4.262 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.795 5.177 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.896 4.017 7.281 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.656 4.149 7.515 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.848 2.574 7.703 1.00 0.00 H new ATOM 1091 N GLN A 76 -10.340 1.085 3.488 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.566 0.721 2.099 1.00 0.00 C ATOM 1093 C GLN A 76 -12.030 0.332 1.885 1.00 0.00 C ATOM 1094 O GLN A 76 -12.573 0.520 0.797 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.630 -0.411 1.670 1.00 0.00 C ATOM 1096 CG GLN A 76 -10.267 -1.262 0.570 1.00 0.00 C ATOM 1097 CD GLN A 76 -9.197 -1.923 -0.301 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -9.154 -1.758 -1.509 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.338 -2.678 0.377 1.00 0.00 N ATOM 0 H GLN A 76 -9.885 0.365 4.049 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.345 1.587 1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.689 0.006 1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.394 -1.038 2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.900 -2.028 1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.911 -0.639 -0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.431 -2.774 1.388 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.586 -3.162 -0.114 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.628 -0.203 2.939 1.00 0.00 N ATOM 1109 CA ALA A 77 -14.019 -0.619 2.880 1.00 0.00 C ATOM 1110 C ALA A 77 -14.920 0.588 3.144 1.00 0.00 C ATOM 1111 O ALA A 77 -16.043 0.651 2.645 1.00 0.00 O ATOM 1112 CB ALA A 77 -14.255 -1.753 3.879 1.00 0.00 C ATOM 0 H ALA A 77 -12.174 -0.358 3.839 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.264 -1.001 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.298 -2.065 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.613 -2.597 3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.022 -1.405 4.886 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.395 1.518 3.929 1.00 0.00 N ATOM 1119 CA ALA A 78 -15.139 2.720 4.265 1.00 0.00 C ATOM 1120 C ALA A 78 -15.181 3.646 3.048 1.00 0.00 C ATOM 1121 O ALA A 78 -16.085 4.470 2.922 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.502 3.389 5.485 1.00 0.00 C ATOM 0 H ALA A 78 -13.464 1.463 4.342 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.168 2.474 4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -15.059 4.291 5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.523 2.701 6.330 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.469 3.653 5.257 1.00 0.00 H new ATOM 1128 N TRP A 79 -14.192 3.478 2.183 1.00 0.00 N ATOM 1129 CA TRP A 79 -14.105 4.289 0.979 1.00 0.00 C ATOM 1130 C TRP A 79 -15.478 4.281 0.304 1.00 0.00 C ATOM 1131 O TRP A 79 -16.213 3.299 0.395 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.986 3.791 0.063 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.587 4.241 0.490 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.260 5.168 1.400 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -10.331 3.741 -0.018 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.891 5.303 1.516 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.309 4.407 0.627 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -10.068 2.758 -0.988 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.954 4.163 0.371 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.710 2.526 -1.233 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.668 3.188 -0.593 1.00 0.00 C ATOM 0 H TRP A 79 -13.444 2.793 2.291 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.844 5.318 1.225 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -13.013 2.702 0.032 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -13.176 4.143 -0.951 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.977 5.738 1.971 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.398 5.942 2.139 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.852 2.224 -1.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.172 4.698 0.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.453 1.780 -1.971 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.643 2.951 -0.838 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.791 5.417 -0.375 1.00 0.00 N ATOM 1153 CA PRO A 80 -17.062 5.550 -1.065 1.00 0.00 C ATOM 1154 C PRO A 80 -17.072 4.733 -2.359 1.00 0.00 C ATOM 1155 O PRO A 80 -16.023 4.303 -2.834 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.226 7.042 -1.305 1.00 0.00 C ATOM 1157 CG PRO A 80 -15.837 7.642 -1.159 1.00 0.00 C ATOM 1158 CD PRO A 80 -14.945 6.600 -0.504 1.00 0.00 C ATOM 0 HA PRO A 80 -17.898 5.159 -0.485 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.633 7.236 -2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.918 7.480 -0.586 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.440 7.926 -2.133 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.874 8.548 -0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.065 6.393 -1.113 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.588 6.939 0.468 1.00 0.00 H new ATOM 1166 N VAL A 81 -18.271 4.543 -2.892 1.00 0.00 N ATOM 1167 CA VAL A 81 -18.431 3.785 -4.121 1.00 0.00 C ATOM 1168 C VAL A 81 -18.196 4.708 -5.319 1.00 0.00 C ATOM 1169 O VAL A 81 -18.635 5.857 -5.317 1.00 0.00 O ATOM 1170 CB VAL A 81 -19.805 3.112 -4.145 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -20.923 4.152 -4.235 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -19.902 2.103 -5.291 1.00 0.00 C ATOM 0 H VAL A 81 -19.140 4.901 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.691 2.986 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 81 -19.928 2.568 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -21.889 3.647 -4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -20.874 4.815 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -20.804 4.736 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -20.888 1.639 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -19.748 2.615 -6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.139 1.335 -5.165 1.00 0.00 H new ATOM 1182 N GLY A 82 -17.505 4.169 -6.313 1.00 0.00 N ATOM 1183 CA GLY A 82 -17.207 4.930 -7.514 1.00 0.00 C ATOM 1184 C GLY A 82 -15.732 5.335 -7.555 1.00 0.00 C ATOM 1185 O GLY A 82 -15.018 4.999 -8.498 1.00 0.00 O ATOM 0 H GLY A 82 -17.143 3.215 -6.311 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.449 4.335 -8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.834 5.821 -7.549 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.319 6.051 -6.519 1.00 0.00 N ATOM 1190 CA GLY A 83 -13.943 6.505 -6.424 1.00 0.00 C ATOM 1191 C GLY A 83 -12.990 5.327 -6.211 1.00 0.00 C ATOM 1192 O GLY A 83 -13.072 4.634 -5.199 1.00 0.00 O ATOM 0 H GLY A 83 -15.914 6.328 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.669 7.039 -7.334 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.845 7.210 -5.599 1.00 0.00 H new ATOM 1196 N ASP A 84 -12.108 5.138 -7.182 1.00 0.00 N ATOM 1197 CA ASP A 84 -11.141 4.056 -7.113 1.00 0.00 C ATOM 1198 C ASP A 84 -9.970 4.480 -6.224 1.00 0.00 C ATOM 1199 O ASP A 84 -8.815 4.426 -6.645 1.00 0.00 O ATOM 1200 CB ASP A 84 -10.586 3.724 -8.500 1.00 0.00 C ATOM 1201 CG ASP A 84 -11.549 2.971 -9.419 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -12.753 2.948 -9.083 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -11.060 2.434 -10.436 1.00 0.00 O ATOM 0 H ASP A 84 -12.043 5.716 -8.020 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.645 3.179 -6.707 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.293 4.653 -8.989 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.682 3.128 -8.380 1.00 0.00 H new ATOM 1208 N SER A 85 -10.308 4.891 -5.011 1.00 0.00 N ATOM 1209 CA SER A 85 -9.300 5.324 -4.059 1.00 0.00 C ATOM 1210 C SER A 85 -8.245 4.230 -3.880 1.00 0.00 C ATOM 1211 O SER A 85 -8.581 3.052 -3.768 1.00 0.00 O ATOM 1212 CB SER A 85 -9.930 5.679 -2.711 1.00 0.00 C ATOM 1213 OG SER A 85 -11.071 6.520 -2.860 1.00 0.00 O ATOM 0 H SER A 85 -11.267 4.933 -4.665 1.00 0.00 H new ATOM 0 HA SER A 85 -8.822 6.221 -4.453 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.219 4.764 -2.194 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.190 6.179 -2.086 1.00 0.00 H new ATOM 0 HG SER A 85 -10.808 7.455 -2.728 1.00 0.00 H new ATOM 1219 N ARG A 86 -6.992 4.658 -3.858 1.00 0.00 N ATOM 1220 CA ARG A 86 -5.886 3.729 -3.695 1.00 0.00 C ATOM 1221 C ARG A 86 -4.988 4.171 -2.538 1.00 0.00 C ATOM 1222 O ARG A 86 -5.211 5.224 -1.942 1.00 0.00 O ATOM 1223 CB ARG A 86 -5.051 3.636 -4.973 1.00 0.00 C ATOM 1224 CG ARG A 86 -4.204 4.896 -5.167 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.708 5.006 -6.611 1.00 0.00 C ATOM 1226 NE ARG A 86 -2.324 5.530 -6.631 1.00 0.00 N ATOM 1227 CZ ARG A 86 -1.652 5.833 -7.750 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -2.233 5.666 -8.946 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -0.399 6.302 -7.673 1.00 0.00 N ATOM 0 H ARG A 86 -6.717 5.636 -3.950 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.307 2.747 -3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.402 2.761 -4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.708 3.499 -5.832 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.793 5.777 -4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.353 4.875 -4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.743 4.028 -7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.364 5.665 -7.180 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.852 5.669 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.186 5.308 -9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.722 5.897 -9.798 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.043 6.428 -6.763 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.112 6.533 -8.525 1.00 0.00 H new ATOM 1243 N PHE A 87 -3.992 3.345 -2.255 1.00 0.00 N ATOM 1244 CA PHE A 87 -3.059 3.638 -1.180 1.00 0.00 C ATOM 1245 C PHE A 87 -1.689 4.033 -1.735 1.00 0.00 C ATOM 1246 O PHE A 87 -0.985 3.203 -2.308 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.912 2.358 -0.354 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.997 2.175 0.709 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -4.149 3.104 1.691 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.808 1.085 0.673 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -5.156 2.934 2.679 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.815 0.915 1.660 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.967 1.843 2.642 1.00 0.00 C ATOM 0 H PHE A 87 -3.810 2.473 -2.751 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.431 4.469 -0.581 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.928 1.500 -1.026 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.937 2.362 0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.505 3.970 1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.687 0.348 -0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.277 3.671 3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.460 0.049 1.631 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.732 1.714 3.393 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.353 5.301 -1.546 1.00 0.00 N ATOM 1264 CA VAL A 88 -0.080 5.816 -2.020 1.00 0.00 C ATOM 1265 C VAL A 88 0.908 5.877 -0.853 1.00 0.00 C ATOM 1266 O VAL A 88 0.580 6.390 0.216 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.285 7.171 -2.701 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.023 7.963 -2.749 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -0.873 6.997 -4.103 1.00 0.00 C ATOM 0 H VAL A 88 -1.940 5.986 -1.071 1.00 0.00 H new ATOM 0 HA VAL A 88 0.345 5.150 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.000 7.740 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.850 8.922 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.383 8.133 -1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.769 7.400 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.009 7.975 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.193 6.400 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.836 6.492 -4.033 1.00 0.00 H new ATOM 1279 N PHE A 89 2.096 5.345 -1.098 1.00 0.00 N ATOM 1280 CA PHE A 89 3.134 5.332 -0.081 1.00 0.00 C ATOM 1281 C PHE A 89 4.024 6.572 -0.189 1.00 0.00 C ATOM 1282 O PHE A 89 4.726 6.752 -1.183 1.00 0.00 O ATOM 1283 CB PHE A 89 3.986 4.085 -0.326 1.00 0.00 C ATOM 1284 CG PHE A 89 4.988 3.787 0.791 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.632 3.970 2.091 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.235 3.338 0.484 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.563 3.693 3.127 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.165 3.061 1.520 1.00 0.00 C ATOM 1289 CZ PHE A 89 6.809 3.244 2.820 1.00 0.00 C ATOM 0 H PHE A 89 2.363 4.920 -1.986 1.00 0.00 H new ATOM 0 HA PHE A 89 2.682 5.327 0.911 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.327 3.225 -0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.528 4.206 -1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.642 4.326 2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.517 3.192 -0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.281 3.839 4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.155 2.705 1.276 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.516 3.033 3.608 1.00 0.00 H new ATOM 1299 N ARG A 90 3.964 7.396 0.847 1.00 0.00 N ATOM 1300 CA ARG A 90 4.756 8.615 0.880 1.00 0.00 C ATOM 1301 C ARG A 90 5.457 8.755 2.233 1.00 0.00 C ATOM 1302 O ARG A 90 4.933 8.317 3.256 1.00 0.00 O ATOM 1303 CB ARG A 90 3.882 9.846 0.637 1.00 0.00 C ATOM 1304 CG ARG A 90 3.421 9.913 -0.821 1.00 0.00 C ATOM 1305 CD ARG A 90 2.436 11.064 -1.033 1.00 0.00 C ATOM 1306 NE ARG A 90 3.153 12.358 -0.995 1.00 0.00 N ATOM 1307 CZ ARG A 90 2.693 13.488 -1.547 1.00 0.00 C ATOM 1308 NH1 ARG A 90 1.513 13.492 -2.182 1.00 0.00 N ATOM 1309 NH2 ARG A 90 3.412 14.616 -1.463 1.00 0.00 N ATOM 0 H ARG A 90 3.380 7.244 1.669 1.00 0.00 H new ATOM 0 HA ARG A 90 5.500 8.549 0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.014 9.816 1.295 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.441 10.748 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.284 10.044 -1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.950 8.971 -1.101 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.929 10.948 -1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.667 11.042 -0.261 1.00 0.00 H new ATOM 0 HE ARG A 90 4.054 12.391 -0.518 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.965 12.634 -2.245 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.163 14.353 -2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.310 14.614 -0.979 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.062 15.477 -1.884 1.00 0.00 H new ATOM 1323 N LYS A 91 6.631 9.367 2.194 1.00 0.00 N ATOM 1324 CA LYS A 91 7.410 9.570 3.404 1.00 0.00 C ATOM 1325 C LYS A 91 7.234 11.013 3.882 1.00 0.00 C ATOM 1326 O LYS A 91 7.416 11.306 5.062 1.00 0.00 O ATOM 1327 CB LYS A 91 8.869 9.172 3.175 1.00 0.00 C ATOM 1328 CG LYS A 91 9.708 10.380 2.752 1.00 0.00 C ATOM 1329 CD LYS A 91 11.140 9.962 2.415 1.00 0.00 C ATOM 1330 CE LYS A 91 11.320 9.789 0.906 1.00 0.00 C ATOM 1331 NZ LYS A 91 12.758 9.755 0.556 1.00 0.00 N ATOM 0 H LYS A 91 7.062 9.729 1.343 1.00 0.00 H new ATOM 0 HA LYS A 91 7.049 8.922 4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.280 8.742 4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.923 8.401 2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.252 10.859 1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.720 11.118 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.838 10.713 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.379 9.028 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.838 8.867 0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.831 10.608 0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.862 9.637 -0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.208 10.645 0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.215 8.959 1.044 1.00 0.00 H new ATOM 1345 N ASN A 92 6.882 11.876 2.940 1.00 0.00 N ATOM 1346 CA ASN A 92 6.680 13.281 3.250 1.00 0.00 C ATOM 1347 C ASN A 92 5.621 13.859 2.309 1.00 0.00 C ATOM 1348 O ASN A 92 5.950 14.564 1.357 1.00 0.00 O ATOM 1349 CB ASN A 92 7.971 14.080 3.057 1.00 0.00 C ATOM 1350 CG ASN A 92 8.656 14.347 4.398 1.00 0.00 C ATOM 1351 OD1 ASN A 92 8.071 14.216 5.461 1.00 0.00 O ATOM 1352 ND2 ASN A 92 9.925 14.729 4.290 1.00 0.00 N ATOM 0 H ASN A 92 6.732 11.629 1.962 1.00 0.00 H new ATOM 0 HA ASN A 92 6.363 13.354 4.290 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.648 13.532 2.402 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.747 15.026 2.564 1.00 0.00 H new ATOM 0 HD21 ASN A 92 10.470 14.932 5.128 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.354 14.819 3.369 1.00 0.00 H new ATOM 1359 N PHE A 93 4.371 13.540 2.609 1.00 0.00 N ATOM 1360 CA PHE A 93 3.261 14.018 1.802 1.00 0.00 C ATOM 1361 C PHE A 93 2.605 15.243 2.443 1.00 0.00 C ATOM 1362 O PHE A 93 2.519 15.336 3.667 1.00 0.00 O ATOM 1363 CB PHE A 93 2.237 12.884 1.732 1.00 0.00 C ATOM 1364 CG PHE A 93 1.702 12.443 3.096 1.00 0.00 C ATOM 1365 CD1 PHE A 93 0.770 13.198 3.737 1.00 0.00 C ATOM 1366 CD2 PHE A 93 2.159 11.297 3.667 1.00 0.00 C ATOM 1367 CE1 PHE A 93 0.273 12.789 5.003 1.00 0.00 C ATOM 1368 CE2 PHE A 93 1.662 10.888 4.933 1.00 0.00 C ATOM 1369 CZ PHE A 93 0.730 11.643 5.574 1.00 0.00 C ATOM 0 H PHE A 93 4.102 12.956 3.401 1.00 0.00 H new ATOM 0 HA PHE A 93 3.617 14.306 0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.400 13.202 1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 93 2.693 12.026 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.408 14.109 3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.900 10.698 3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.468 13.388 5.512 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.024 9.977 5.387 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.353 11.332 6.537 1.00 0.00 H new ATOM 1379 N ALA A 94 2.160 16.152 1.588 1.00 0.00 N ATOM 1380 CA ALA A 94 1.514 17.367 2.056 1.00 0.00 C ATOM 1381 C ALA A 94 2.473 18.128 2.973 1.00 0.00 C ATOM 1382 O ALA A 94 2.390 18.015 4.195 1.00 0.00 O ATOM 1383 CB ALA A 94 0.200 17.010 2.753 1.00 0.00 C ATOM 0 H ALA A 94 2.234 16.072 0.574 1.00 0.00 H new ATOM 0 HA ALA A 94 1.271 18.021 1.218 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.285 17.921 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.457 16.497 2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.404 16.357 3.602 1.00 0.00 H new ATOM 1389 N SER A 95 3.362 18.887 2.348 1.00 0.00 N ATOM 1390 CA SER A 95 4.335 19.667 3.093 1.00 0.00 C ATOM 1391 C SER A 95 4.011 21.157 2.977 1.00 0.00 C ATOM 1392 O SER A 95 4.009 21.713 1.880 1.00 0.00 O ATOM 1393 CB SER A 95 5.756 19.393 2.597 1.00 0.00 C ATOM 1394 OG SER A 95 6.726 20.160 3.305 1.00 0.00 O ATOM 0 H SER A 95 3.428 18.978 1.334 1.00 0.00 H new ATOM 0 HA SER A 95 4.281 19.371 4.141 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.981 18.332 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.819 19.622 1.533 1.00 0.00 H new ATOM 0 HG SER A 95 7.620 19.955 2.960 1.00 0.00 H new ATOM 1400 N GLY A 96 3.744 21.763 4.125 1.00 0.00 N ATOM 1401 CA GLY A 96 3.419 23.179 4.166 1.00 0.00 C ATOM 1402 C GLY A 96 4.673 24.035 3.983 1.00 0.00 C ATOM 1403 O GLY A 96 5.582 23.661 3.242 1.00 0.00 O ATOM 0 H GLY A 96 3.746 21.299 5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.697 23.413 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.946 23.420 5.118 1.00 0.00 H new ATOM 1407 N PRO A 97 4.684 25.198 4.688 1.00 0.00 N ATOM 1408 CA PRO A 97 5.812 26.111 4.610 1.00 0.00 C ATOM 1409 C PRO A 97 7.004 25.577 5.406 1.00 0.00 C ATOM 1410 O PRO A 97 7.389 26.158 6.420 1.00 0.00 O ATOM 1411 CB PRO A 97 5.285 27.433 5.144 1.00 0.00 C ATOM 1412 CG PRO A 97 4.029 27.095 5.930 1.00 0.00 C ATOM 1413 CD PRO A 97 3.625 25.673 5.575 1.00 0.00 C ATOM 0 HA PRO A 97 6.189 26.229 3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.024 27.920 5.780 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.062 28.122 4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.213 27.183 7.001 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.227 27.792 5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.545 25.050 6.466 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.654 25.649 5.081 1.00 0.00 H new ATOM 1421 N SER A 98 7.557 24.476 4.917 1.00 0.00 N ATOM 1422 CA SER A 98 8.698 23.858 5.570 1.00 0.00 C ATOM 1423 C SER A 98 9.639 23.260 4.523 1.00 0.00 C ATOM 1424 O SER A 98 9.507 22.093 4.157 1.00 0.00 O ATOM 1425 CB SER A 98 8.249 22.779 6.558 1.00 0.00 C ATOM 1426 OG SER A 98 9.356 22.103 7.149 1.00 0.00 O ATOM 0 H SER A 98 7.236 23.996 4.076 1.00 0.00 H new ATOM 0 HA SER A 98 9.230 24.627 6.130 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.642 23.234 7.341 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.616 22.057 6.043 1.00 0.00 H new ATOM 0 HG SER A 98 9.028 21.423 7.774 1.00 0.00 H new ATOM 1432 N SER A 99 10.570 24.087 4.069 1.00 0.00 N ATOM 1433 CA SER A 99 11.533 23.655 3.071 1.00 0.00 C ATOM 1434 C SER A 99 12.459 22.591 3.664 1.00 0.00 C ATOM 1435 O SER A 99 12.453 22.361 4.872 1.00 0.00 O ATOM 1436 CB SER A 99 12.351 24.837 2.547 1.00 0.00 C ATOM 1437 OG SER A 99 12.357 24.893 1.123 1.00 0.00 O ATOM 0 H SER A 99 10.677 25.054 4.374 1.00 0.00 H new ATOM 0 HA SER A 99 10.986 23.226 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.942 25.766 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.375 24.759 2.911 1.00 0.00 H new ATOM 0 HG SER A 99 12.888 25.662 0.828 1.00 0.00 H new ATOM 1443 N GLY A 100 13.232 21.969 2.785 1.00 0.00 N ATOM 1444 CA GLY A 100 14.161 20.934 3.207 1.00 0.00 C ATOM 1445 C GLY A 100 13.531 20.031 4.268 1.00 0.00 C ATOM 1446 O GLY A 100 12.474 19.443 4.041 1.00 0.00 O ATOM 0 H GLY A 100 13.234 22.162 1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.460 20.336 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.066 21.393 3.606 1.00 0.00 H new TER 1450 GLY A 100