USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 564 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 Single : A 1 GLY N :NH3+ 130:sc= 0.0418 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0652 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 14 CYS SG : rot -65:sc= -5.97! USER MOD Single : A 22 ASN : amide:sc= -1.09 K(o=-1.1,f=-7.1!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0171 X(o=-0.017,f=-0.26) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= -0.0759 (180deg=-0.18) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -35:sc= 0.338 USER MOD Single : A 49 HIS : no HD1:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 50 TYR OH : rot 175:sc= 0.788 USER MOD Single : A 54 ASN : amide:sc= -0.0133 K(o=-0.013,f=-0.96) USER MOD Single : A 62 THR OG1 : rot -151:sc= -1.17 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.927 F(o=-2.4!,f=-0.93) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.00189 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.825 -10.185 13.912 1.00 0.00 N ATOM 2 CA GLY A 1 21.574 -9.844 12.523 1.00 0.00 C ATOM 3 C GLY A 1 20.406 -8.863 12.401 1.00 0.00 C ATOM 4 O GLY A 1 19.500 -8.865 13.232 1.00 0.00 O ATOM 0 H1 GLY A 1 21.880 -11.219 14.011 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.724 -9.759 14.217 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.051 -9.821 14.504 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.470 -9.404 12.085 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.354 -10.749 11.957 1.00 0.00 H new ATOM 8 N SER A 2 20.466 -8.047 11.359 1.00 0.00 N ATOM 9 CA SER A 2 19.425 -7.063 11.118 1.00 0.00 C ATOM 10 C SER A 2 19.346 -6.740 9.624 1.00 0.00 C ATOM 11 O SER A 2 20.255 -6.125 9.069 1.00 0.00 O ATOM 12 CB SER A 2 19.676 -5.787 11.924 1.00 0.00 C ATOM 13 OG SER A 2 19.794 -6.052 13.320 1.00 0.00 O ATOM 0 H SER A 2 21.220 -8.047 10.672 1.00 0.00 H new ATOM 0 HA SER A 2 18.474 -7.485 11.443 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.587 -5.307 11.568 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.859 -5.085 11.756 1.00 0.00 H new ATOM 0 HG SER A 2 19.955 -5.213 13.800 1.00 0.00 H new ATOM 18 N SER A 3 18.250 -7.169 9.016 1.00 0.00 N ATOM 19 CA SER A 3 18.040 -6.933 7.597 1.00 0.00 C ATOM 20 C SER A 3 16.704 -6.222 7.378 1.00 0.00 C ATOM 21 O SER A 3 15.772 -6.386 8.164 1.00 0.00 O ATOM 22 CB SER A 3 18.081 -8.244 6.810 1.00 0.00 C ATOM 23 OG SER A 3 19.122 -8.249 5.837 1.00 0.00 O ATOM 0 H SER A 3 17.498 -7.679 9.480 1.00 0.00 H new ATOM 0 HA SER A 3 18.846 -6.297 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.224 -9.076 7.499 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.122 -8.401 6.316 1.00 0.00 H new ATOM 0 HG SER A 3 19.117 -9.103 5.357 1.00 0.00 H new ATOM 28 N GLY A 4 16.651 -5.447 6.304 1.00 0.00 N ATOM 29 CA GLY A 4 15.444 -4.711 5.971 1.00 0.00 C ATOM 30 C GLY A 4 14.583 -5.492 4.975 1.00 0.00 C ATOM 31 O GLY A 4 14.968 -6.572 4.529 1.00 0.00 O ATOM 0 H GLY A 4 17.425 -5.313 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.871 -4.516 6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.710 -3.743 5.547 1.00 0.00 H new ATOM 35 N SER A 5 13.434 -4.915 4.657 1.00 0.00 N ATOM 36 CA SER A 5 12.515 -5.543 3.722 1.00 0.00 C ATOM 37 C SER A 5 12.066 -4.529 2.668 1.00 0.00 C ATOM 38 O SER A 5 11.389 -3.553 2.988 1.00 0.00 O ATOM 39 CB SER A 5 11.301 -6.124 4.450 1.00 0.00 C ATOM 40 OG SER A 5 11.250 -7.545 4.353 1.00 0.00 O ATOM 0 H SER A 5 13.118 -4.020 5.030 1.00 0.00 H new ATOM 0 HA SER A 5 13.037 -6.363 3.229 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.335 -5.833 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.389 -5.699 4.031 1.00 0.00 H new ATOM 0 HG SER A 5 10.462 -7.877 4.832 1.00 0.00 H new ATOM 45 N SER A 6 12.462 -4.795 1.431 1.00 0.00 N ATOM 46 CA SER A 6 12.109 -3.918 0.328 1.00 0.00 C ATOM 47 C SER A 6 10.666 -4.181 -0.109 1.00 0.00 C ATOM 48 O SER A 6 9.813 -3.300 -0.011 1.00 0.00 O ATOM 49 CB SER A 6 13.064 -4.106 -0.853 1.00 0.00 C ATOM 50 OG SER A 6 13.905 -2.971 -1.045 1.00 0.00 O ATOM 0 H SER A 6 13.024 -5.605 1.169 1.00 0.00 H new ATOM 0 HA SER A 6 12.196 -2.887 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.680 -4.989 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.488 -4.288 -1.760 1.00 0.00 H new ATOM 0 HG SER A 6 14.501 -3.130 -1.807 1.00 0.00 H new ATOM 55 N GLY A 7 10.438 -5.397 -0.583 1.00 0.00 N ATOM 56 CA GLY A 7 9.114 -5.788 -1.035 1.00 0.00 C ATOM 57 C GLY A 7 9.085 -7.263 -1.440 1.00 0.00 C ATOM 58 O GLY A 7 8.561 -7.610 -2.497 1.00 0.00 O ATOM 0 H GLY A 7 11.148 -6.125 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.388 -5.611 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.818 -5.169 -1.882 1.00 0.00 H new ATOM 62 N GLY A 8 9.656 -8.091 -0.578 1.00 0.00 N ATOM 63 CA GLY A 8 9.703 -9.521 -0.832 1.00 0.00 C ATOM 64 C GLY A 8 8.402 -10.006 -1.475 1.00 0.00 C ATOM 65 O GLY A 8 8.347 -10.225 -2.685 1.00 0.00 O ATOM 0 H GLY A 8 10.090 -7.799 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.544 -9.750 -1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.872 -10.055 0.103 1.00 0.00 H new ATOM 69 N GLU A 9 7.387 -10.159 -0.639 1.00 0.00 N ATOM 70 CA GLU A 9 6.090 -10.614 -1.111 1.00 0.00 C ATOM 71 C GLU A 9 4.973 -9.783 -0.477 1.00 0.00 C ATOM 72 O GLU A 9 4.941 -9.603 0.739 1.00 0.00 O ATOM 73 CB GLU A 9 5.894 -12.104 -0.825 1.00 0.00 C ATOM 74 CG GLU A 9 5.426 -12.329 0.615 1.00 0.00 C ATOM 75 CD GLU A 9 5.870 -13.702 1.127 1.00 0.00 C ATOM 76 OE1 GLU A 9 7.093 -13.866 1.324 1.00 0.00 O ATOM 77 OE2 GLU A 9 4.975 -14.555 1.311 1.00 0.00 O ATOM 0 H GLU A 9 7.436 -9.976 0.363 1.00 0.00 H new ATOM 0 HA GLU A 9 6.050 -10.477 -2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.162 -12.518 -1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.830 -12.637 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.831 -11.548 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.340 -12.252 0.665 1.00 0.00 H new ATOM 82 N ILE A 10 4.083 -9.297 -1.330 1.00 0.00 N ATOM 83 CA ILE A 10 2.967 -8.490 -0.869 1.00 0.00 C ATOM 84 C ILE A 10 2.015 -9.362 -0.048 1.00 0.00 C ATOM 85 O ILE A 10 1.312 -10.208 -0.599 1.00 0.00 O ATOM 86 CB ILE A 10 2.293 -7.784 -2.048 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.122 -6.587 -2.517 1.00 0.00 C ATOM 88 CG2 ILE A 10 0.857 -7.386 -1.699 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.065 -5.447 -1.499 1.00 0.00 C ATOM 0 H ILE A 10 4.113 -9.447 -2.338 1.00 0.00 H new ATOM 0 HA ILE A 10 3.319 -7.696 -0.210 1.00 0.00 H new ATOM 0 HB ILE A 10 2.240 -8.484 -2.881 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.157 -6.894 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.750 -6.238 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.400 -6.886 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.282 -8.278 -1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.864 -6.710 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.663 -4.609 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.031 -5.126 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.460 -5.792 -0.544 1.00 0.00 H new ATOM 100 N ILE A 11 2.024 -9.127 1.255 1.00 0.00 N ATOM 101 CA ILE A 11 1.169 -9.882 2.157 1.00 0.00 C ATOM 102 C ILE A 11 0.012 -8.994 2.619 1.00 0.00 C ATOM 103 O ILE A 11 0.019 -7.786 2.383 1.00 0.00 O ATOM 104 CB ILE A 11 1.991 -10.469 3.307 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.446 -9.371 4.271 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.168 -11.289 2.776 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.344 -9.035 5.278 1.00 0.00 C ATOM 0 H ILE A 11 2.609 -8.425 1.709 1.00 0.00 H new ATOM 0 HA ILE A 11 0.729 -10.736 1.641 1.00 0.00 H new ATOM 0 HB ILE A 11 1.353 -11.149 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.341 -9.696 4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.715 -8.477 3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.736 -11.695 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.793 -12.107 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.815 -10.650 2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.693 -8.252 5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.458 -8.688 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.095 -9.925 5.855 1.00 0.00 H new ATOM 118 N GLU A 12 -0.954 -9.627 3.268 1.00 0.00 N ATOM 119 CA GLU A 12 -2.116 -8.909 3.765 1.00 0.00 C ATOM 120 C GLU A 12 -1.741 -8.075 4.991 1.00 0.00 C ATOM 121 O GLU A 12 -1.211 -8.604 5.967 1.00 0.00 O ATOM 122 CB GLU A 12 -3.259 -9.874 4.086 1.00 0.00 C ATOM 123 CG GLU A 12 -3.691 -10.648 2.840 1.00 0.00 C ATOM 124 CD GLU A 12 -4.665 -11.772 3.202 1.00 0.00 C ATOM 125 OE1 GLU A 12 -5.574 -11.495 4.014 1.00 0.00 O ATOM 126 OE2 GLU A 12 -4.479 -12.881 2.659 1.00 0.00 O ATOM 0 H GLU A 12 -0.956 -10.629 3.461 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.463 -8.233 2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.943 -10.573 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.107 -9.318 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.163 -9.968 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.814 -11.067 2.346 1.00 0.00 H new ATOM 131 N GLY A 13 -2.030 -6.785 4.900 1.00 0.00 N ATOM 132 CA GLY A 13 -1.729 -5.873 5.990 1.00 0.00 C ATOM 133 C GLY A 13 -0.760 -4.779 5.538 1.00 0.00 C ATOM 134 O GLY A 13 -0.789 -3.665 6.059 1.00 0.00 O ATOM 0 H GLY A 13 -2.469 -6.350 4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.651 -5.419 6.354 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.295 -6.427 6.823 1.00 0.00 H new ATOM 138 N CYS A 14 0.076 -5.135 4.573 1.00 0.00 N ATOM 139 CA CYS A 14 1.052 -4.197 4.045 1.00 0.00 C ATOM 140 C CYS A 14 0.320 -2.912 3.652 1.00 0.00 C ATOM 141 O CYS A 14 -0.750 -2.962 3.048 1.00 0.00 O ATOM 142 CB CYS A 14 1.830 -4.792 2.870 1.00 0.00 C ATOM 143 SG CYS A 14 3.128 -5.924 3.487 1.00 0.00 S ATOM 0 H CYS A 14 0.097 -6.060 4.143 1.00 0.00 H new ATOM 0 HA CYS A 14 1.794 -3.972 4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.151 -5.330 2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.282 -3.994 2.281 1.00 0.00 H new ATOM 0 HG CYS A 14 4.005 -5.248 4.169 1.00 0.00 H new ATOM 148 N ARG A 15 0.927 -1.790 4.011 1.00 0.00 N ATOM 149 CA ARG A 15 0.347 -0.494 3.705 1.00 0.00 C ATOM 150 C ARG A 15 1.236 0.266 2.718 1.00 0.00 C ATOM 151 O ARG A 15 2.405 0.520 3.001 1.00 0.00 O ATOM 152 CB ARG A 15 0.170 0.344 4.971 1.00 0.00 C ATOM 153 CG ARG A 15 -1.302 0.411 5.385 1.00 0.00 C ATOM 154 CD ARG A 15 -1.482 1.266 6.640 1.00 0.00 C ATOM 155 NE ARG A 15 -1.303 0.433 7.850 1.00 0.00 N ATOM 156 CZ ARG A 15 -0.120 0.205 8.437 1.00 0.00 C ATOM 157 NH1 ARG A 15 0.996 0.746 7.929 1.00 0.00 N ATOM 158 NH2 ARG A 15 -0.054 -0.565 9.533 1.00 0.00 N ATOM 0 H ARG A 15 1.815 -1.752 4.511 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.632 -0.667 3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.760 -0.086 5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.549 1.351 4.800 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.894 0.827 4.570 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.677 -0.596 5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.760 2.082 6.640 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.474 1.718 6.643 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.132 0.006 8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.945 1.332 7.095 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.896 0.572 8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.904 -0.977 9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.846 -0.739 9.980 1.00 0.00 H new ATOM 169 N LEU A 16 0.647 0.607 1.582 1.00 0.00 N ATOM 170 CA LEU A 16 1.371 1.333 0.552 1.00 0.00 C ATOM 171 C LEU A 16 0.402 2.247 -0.201 1.00 0.00 C ATOM 172 O LEU A 16 -0.802 1.997 -0.222 1.00 0.00 O ATOM 173 CB LEU A 16 2.130 0.362 -0.355 1.00 0.00 C ATOM 174 CG LEU A 16 1.587 -1.067 -0.411 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.058 -1.071 -0.433 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.180 -1.833 -1.595 1.00 0.00 C ATOM 0 H LEU A 16 -0.324 0.394 1.352 1.00 0.00 H new ATOM 0 HA LEU A 16 2.130 1.974 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.133 0.768 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.168 0.322 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 16 1.897 -1.587 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.303 -2.099 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.320 -0.588 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.295 -0.528 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.777 -2.846 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.921 -1.324 -2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.265 -1.875 -1.495 1.00 0.00 H new ATOM 187 N PRO A 17 0.978 3.315 -0.814 1.00 0.00 N ATOM 188 CA PRO A 17 0.179 4.267 -1.566 1.00 0.00 C ATOM 189 C PRO A 17 -0.251 3.681 -2.912 1.00 0.00 C ATOM 190 O PRO A 17 0.569 3.523 -3.815 1.00 0.00 O ATOM 191 CB PRO A 17 1.061 5.496 -1.708 1.00 0.00 C ATOM 192 CG PRO A 17 2.481 5.023 -1.440 1.00 0.00 C ATOM 193 CD PRO A 17 2.401 3.643 -0.810 1.00 0.00 C ATOM 0 HA PRO A 17 -0.755 4.520 -1.065 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.974 5.926 -2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.767 6.271 -1.000 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.053 4.987 -2.367 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.995 5.717 -0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.977 2.914 -1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.804 3.646 0.203 1.00 0.00 H new ATOM 198 N VAL A 18 -1.537 3.374 -3.004 1.00 0.00 N ATOM 199 CA VAL A 18 -2.085 2.809 -4.224 1.00 0.00 C ATOM 200 C VAL A 18 -2.593 3.939 -5.122 1.00 0.00 C ATOM 201 O VAL A 18 -3.542 4.638 -4.770 1.00 0.00 O ATOM 202 CB VAL A 18 -3.169 1.782 -3.885 1.00 0.00 C ATOM 203 CG1 VAL A 18 -3.928 1.352 -5.142 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.571 0.573 -3.164 1.00 0.00 C ATOM 0 H VAL A 18 -2.215 3.506 -2.253 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.312 2.276 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.881 2.256 -3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.692 0.622 -4.874 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.401 2.222 -5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.232 0.905 -5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.362 -0.141 -2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.828 0.098 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.097 0.899 -2.238 1.00 0.00 H new ATOM 214 N LEU A 19 -1.938 4.085 -6.265 1.00 0.00 N ATOM 215 CA LEU A 19 -2.312 5.118 -7.215 1.00 0.00 C ATOM 216 C LEU A 19 -3.829 5.104 -7.408 1.00 0.00 C ATOM 217 O LEU A 19 -4.416 4.053 -7.664 1.00 0.00 O ATOM 218 CB LEU A 19 -1.525 4.958 -8.517 1.00 0.00 C ATOM 219 CG LEU A 19 -2.002 5.806 -9.698 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.319 7.174 -9.703 1.00 0.00 C ATOM 221 CD2 LEU A 19 -1.806 5.063 -11.022 1.00 0.00 C ATOM 0 H LEU A 19 -1.151 3.505 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.049 6.103 -6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.481 5.201 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.558 3.909 -8.812 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.072 5.981 -9.582 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.676 7.756 -10.553 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.553 7.701 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.240 7.042 -9.782 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.153 5.688 -11.845 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.749 4.837 -11.159 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.377 4.134 -11.006 1.00 0.00 H new ATOM 232 N ARG A 20 -4.422 6.281 -7.276 1.00 0.00 N ATOM 233 CA ARG A 20 -5.860 6.417 -7.433 1.00 0.00 C ATOM 234 C ARG A 20 -6.203 7.789 -8.018 1.00 0.00 C ATOM 235 O ARG A 20 -6.018 8.812 -7.361 1.00 0.00 O ATOM 236 CB ARG A 20 -6.578 6.249 -6.092 1.00 0.00 C ATOM 237 CG ARG A 20 -8.097 6.266 -6.278 1.00 0.00 C ATOM 238 CD ARG A 20 -8.812 6.434 -4.936 1.00 0.00 C ATOM 239 NE ARG A 20 -10.067 7.195 -5.123 1.00 0.00 N ATOM 240 CZ ARG A 20 -10.140 8.533 -5.135 1.00 0.00 C ATOM 241 NH1 ARG A 20 -9.030 9.266 -4.970 1.00 0.00 N ATOM 242 NH2 ARG A 20 -11.322 9.138 -5.312 1.00 0.00 N ATOM 0 H ARG A 20 -3.933 7.150 -7.062 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.195 5.634 -8.113 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.275 5.310 -5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.282 7.049 -5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.376 7.080 -6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.419 5.339 -6.752 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.030 5.456 -4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.163 6.954 -4.231 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.931 6.668 -5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.130 8.805 -4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.085 10.284 -4.979 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.167 8.580 -5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.377 10.156 -5.321 1.00 0.00 H new ATOM 253 N ARG A 21 -6.697 7.765 -9.247 1.00 0.00 N ATOM 254 CA ARG A 21 -7.067 8.994 -9.928 1.00 0.00 C ATOM 255 C ARG A 21 -8.495 9.396 -9.558 1.00 0.00 C ATOM 256 O ARG A 21 -9.453 8.726 -9.942 1.00 0.00 O ATOM 257 CB ARG A 21 -6.967 8.833 -11.447 1.00 0.00 C ATOM 258 CG ARG A 21 -5.514 8.928 -11.914 1.00 0.00 C ATOM 259 CD ARG A 21 -5.436 9.152 -13.426 1.00 0.00 C ATOM 260 NE ARG A 21 -4.558 8.134 -14.044 1.00 0.00 N ATOM 261 CZ ARG A 21 -3.958 8.282 -15.234 1.00 0.00 C ATOM 262 NH1 ARG A 21 -4.140 9.406 -15.940 1.00 0.00 N ATOM 263 NH2 ARG A 21 -3.178 7.306 -15.716 1.00 0.00 N ATOM 0 H ARG A 21 -6.850 6.914 -9.789 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.373 9.772 -9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.385 7.871 -11.743 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.562 9.604 -11.938 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.015 9.747 -11.396 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.983 8.013 -11.651 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.433 9.097 -13.862 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.052 10.150 -13.635 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.399 7.266 -13.533 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.735 10.149 -15.572 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.684 9.519 -16.845 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.041 6.450 -15.178 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.721 7.418 -16.621 1.00 0.00 H new ATOM 274 N ASN A 22 -8.595 10.490 -8.816 1.00 0.00 N ATOM 275 CA ASN A 22 -9.891 10.989 -8.390 1.00 0.00 C ATOM 276 C ASN A 22 -10.609 11.617 -9.585 1.00 0.00 C ATOM 277 O ASN A 22 -10.075 11.641 -10.693 1.00 0.00 O ATOM 278 CB ASN A 22 -9.739 12.064 -7.311 1.00 0.00 C ATOM 279 CG ASN A 22 -8.642 13.063 -7.683 1.00 0.00 C ATOM 280 OD1 ASN A 22 -8.663 13.684 -8.734 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.687 13.184 -6.767 1.00 0.00 N ATOM 0 H ASN A 22 -7.799 11.044 -8.499 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.459 10.151 -7.987 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.685 12.589 -7.180 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.500 11.595 -6.356 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.910 13.827 -6.922 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.731 12.634 -5.909 1.00 0.00 H new ATOM 287 N GLN A 23 -11.809 12.112 -9.321 1.00 0.00 N ATOM 288 CA GLN A 23 -12.607 12.740 -10.361 1.00 0.00 C ATOM 289 C GLN A 23 -11.738 13.675 -11.204 1.00 0.00 C ATOM 290 O GLN A 23 -11.602 13.483 -12.411 1.00 0.00 O ATOM 291 CB GLN A 23 -13.799 13.489 -9.762 1.00 0.00 C ATOM 292 CG GLN A 23 -15.009 12.566 -9.615 1.00 0.00 C ATOM 293 CD GLN A 23 -15.947 13.063 -8.514 1.00 0.00 C ATOM 294 OE1 GLN A 23 -16.886 13.805 -8.750 1.00 0.00 O ATOM 295 NE2 GLN A 23 -15.642 12.614 -7.299 1.00 0.00 N ATOM 0 H GLN A 23 -12.249 12.091 -8.401 1.00 0.00 H new ATOM 0 HA GLN A 23 -13.002 11.959 -11.010 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.526 13.894 -8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.058 14.335 -10.398 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.548 12.514 -10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.674 11.555 -9.383 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -14.842 11.995 -7.170 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -16.209 12.889 -6.497 1.00 0.00 H new ATOM 302 N ASP A 24 -11.172 14.668 -10.534 1.00 0.00 N ATOM 303 CA ASP A 24 -10.320 15.634 -11.206 1.00 0.00 C ATOM 304 C ASP A 24 -9.349 14.896 -12.129 1.00 0.00 C ATOM 305 O ASP A 24 -8.900 15.448 -13.134 1.00 0.00 O ATOM 306 CB ASP A 24 -9.495 16.438 -10.198 1.00 0.00 C ATOM 307 CG ASP A 24 -10.238 17.599 -9.535 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.090 18.197 -10.226 1.00 0.00 O ATOM 309 OD2 ASP A 24 -9.936 17.863 -8.351 1.00 0.00 O ATOM 0 H ASP A 24 -11.287 14.824 -9.533 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.960 16.312 -11.770 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.140 15.762 -9.420 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.614 16.832 -10.704 1.00 0.00 H new ATOM 313 N ASN A 25 -9.053 13.660 -11.757 1.00 0.00 N ATOM 314 CA ASN A 25 -8.143 12.840 -12.540 1.00 0.00 C ATOM 315 C ASN A 25 -6.701 13.199 -12.178 1.00 0.00 C ATOM 316 O ASN A 25 -5.848 13.320 -13.057 1.00 0.00 O ATOM 317 CB ASN A 25 -8.331 13.087 -14.038 1.00 0.00 C ATOM 318 CG ASN A 25 -7.875 11.875 -14.855 1.00 0.00 C ATOM 319 OD1 ASN A 25 -8.298 10.752 -14.635 1.00 0.00 O ATOM 320 ND2 ASN A 25 -6.991 12.165 -15.805 1.00 0.00 N ATOM 0 H ASN A 25 -9.427 13.206 -10.924 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.354 11.794 -12.318 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.380 13.297 -14.247 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.763 13.968 -14.339 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.625 11.425 -16.404 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.679 13.127 -15.935 1.00 0.00 H new ATOM 326 N GLU A 26 -6.471 13.359 -10.883 1.00 0.00 N ATOM 327 CA GLU A 26 -5.147 13.702 -10.395 1.00 0.00 C ATOM 328 C GLU A 26 -4.487 12.481 -9.749 1.00 0.00 C ATOM 329 O GLU A 26 -4.868 12.073 -8.652 1.00 0.00 O ATOM 330 CB GLU A 26 -5.210 14.874 -9.413 1.00 0.00 C ATOM 331 CG GLU A 26 -5.777 16.125 -10.089 1.00 0.00 C ATOM 332 CD GLU A 26 -5.440 17.383 -9.285 1.00 0.00 C ATOM 333 OE1 GLU A 26 -5.643 17.338 -8.053 1.00 0.00 O ATOM 334 OE2 GLU A 26 -4.988 18.358 -9.921 1.00 0.00 O ATOM 0 H GLU A 26 -7.180 13.257 -10.157 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.538 14.014 -11.244 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.831 14.605 -8.559 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.212 15.085 -9.028 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.371 16.214 -11.097 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.858 16.031 -10.188 1.00 0.00 H new ATOM 339 N ASP A 27 -3.509 11.933 -10.456 1.00 0.00 N ATOM 340 CA ASP A 27 -2.794 10.769 -9.966 1.00 0.00 C ATOM 341 C ASP A 27 -2.498 10.947 -8.475 1.00 0.00 C ATOM 342 O ASP A 27 -1.527 11.606 -8.105 1.00 0.00 O ATOM 343 CB ASP A 27 -1.459 10.595 -10.694 1.00 0.00 C ATOM 344 CG ASP A 27 -0.424 11.686 -10.416 1.00 0.00 C ATOM 345 OD1 ASP A 27 -0.613 12.798 -10.956 1.00 0.00 O ATOM 346 OD2 ASP A 27 0.533 11.385 -9.670 1.00 0.00 O ATOM 0 H ASP A 27 -3.196 12.275 -11.365 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.418 9.893 -10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.033 9.631 -10.415 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.649 10.560 -11.767 1.00 0.00 H new ATOM 350 N GLU A 28 -3.353 10.348 -7.659 1.00 0.00 N ATOM 351 CA GLU A 28 -3.196 10.433 -6.217 1.00 0.00 C ATOM 352 C GLU A 28 -2.416 9.224 -5.696 1.00 0.00 C ATOM 353 O GLU A 28 -2.239 8.239 -6.412 1.00 0.00 O ATOM 354 CB GLU A 28 -4.555 10.548 -5.524 1.00 0.00 C ATOM 355 CG GLU A 28 -4.394 11.016 -4.076 1.00 0.00 C ATOM 356 CD GLU A 28 -5.546 11.936 -3.666 1.00 0.00 C ATOM 357 OE1 GLU A 28 -5.722 12.965 -4.352 1.00 0.00 O ATOM 358 OE2 GLU A 28 -6.224 11.588 -2.676 1.00 0.00 O ATOM 0 H GLU A 28 -4.157 9.802 -7.969 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.629 11.334 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.187 11.250 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.060 9.582 -5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.360 10.152 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.446 11.542 -3.963 1.00 0.00 H new ATOM 363 N TRP A 29 -1.969 9.339 -4.454 1.00 0.00 N ATOM 364 CA TRP A 29 -1.210 8.269 -3.830 1.00 0.00 C ATOM 365 C TRP A 29 -1.663 8.157 -2.372 1.00 0.00 C ATOM 366 O TRP A 29 -0.878 8.393 -1.455 1.00 0.00 O ATOM 367 CB TRP A 29 0.294 8.506 -3.972 1.00 0.00 C ATOM 368 CG TRP A 29 0.805 8.416 -5.412 1.00 0.00 C ATOM 369 CD1 TRP A 29 0.975 9.414 -6.291 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.208 7.218 -6.108 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.456 8.948 -7.497 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.602 7.570 -7.383 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.238 5.881 -5.675 1.00 0.00 C ATOM 374 CZ2 TRP A 29 2.055 6.643 -8.329 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.693 4.967 -6.632 1.00 0.00 C ATOM 376 CH2 TRP A 29 2.094 5.304 -7.920 1.00 0.00 C ATOM 0 H TRP A 29 -2.118 10.157 -3.863 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.402 7.319 -4.329 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.536 9.491 -3.572 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.826 7.776 -3.362 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.762 10.452 -6.081 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.666 9.511 -8.321 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.934 5.583 -4.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.358 6.944 -9.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.736 3.925 -6.350 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.434 4.538 -8.601 1.00 0.00 H new ATOM 386 N PRO A 30 -2.960 7.787 -2.200 1.00 0.00 N ATOM 387 CA PRO A 30 -3.526 7.642 -0.869 1.00 0.00 C ATOM 388 C PRO A 30 -3.035 6.354 -0.203 1.00 0.00 C ATOM 389 O PRO A 30 -2.643 5.409 -0.885 1.00 0.00 O ATOM 390 CB PRO A 30 -5.031 7.665 -1.078 1.00 0.00 C ATOM 391 CG PRO A 30 -5.253 7.357 -2.550 1.00 0.00 C ATOM 392 CD PRO A 30 -3.919 7.500 -3.262 1.00 0.00 C ATOM 0 HA PRO A 30 -3.219 8.438 -0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.524 6.927 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.447 8.638 -0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.646 6.348 -2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.988 8.040 -2.976 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.656 6.587 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.947 8.304 -3.998 1.00 0.00 H new ATOM 397 N LEU A 31 -3.072 6.362 1.122 1.00 0.00 N ATOM 398 CA LEU A 31 -2.636 5.207 1.888 1.00 0.00 C ATOM 399 C LEU A 31 -3.663 4.083 1.739 1.00 0.00 C ATOM 400 O LEU A 31 -4.854 4.294 1.965 1.00 0.00 O ATOM 401 CB LEU A 31 -2.361 5.601 3.341 1.00 0.00 C ATOM 402 CG LEU A 31 -1.256 4.816 4.051 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.682 3.367 4.294 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.062 4.904 3.278 1.00 0.00 C ATOM 0 H LEU A 31 -3.397 7.149 1.684 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.691 4.828 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.101 6.659 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.284 5.485 3.909 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.088 5.270 5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.879 2.831 4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.577 3.350 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.894 2.885 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.831 4.338 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.074 4.490 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.369 5.947 3.200 1.00 0.00 H new ATOM 415 N ALA A 32 -3.166 2.915 1.362 1.00 0.00 N ATOM 416 CA ALA A 32 -4.027 1.759 1.181 1.00 0.00 C ATOM 417 C ALA A 32 -3.402 0.550 1.881 1.00 0.00 C ATOM 418 O ALA A 32 -2.183 0.388 1.880 1.00 0.00 O ATOM 419 CB ALA A 32 -4.249 1.516 -0.314 1.00 0.00 C ATOM 0 H ALA A 32 -2.178 2.744 1.177 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.004 1.934 1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.895 0.649 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.720 2.392 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.290 1.334 -0.799 1.00 0.00 H new ATOM 425 N GLU A 33 -4.267 -0.270 2.462 1.00 0.00 N ATOM 426 CA GLU A 33 -3.816 -1.459 3.163 1.00 0.00 C ATOM 427 C GLU A 33 -4.232 -2.717 2.398 1.00 0.00 C ATOM 428 O GLU A 33 -5.379 -2.835 1.968 1.00 0.00 O ATOM 429 CB GLU A 33 -4.351 -1.487 4.596 1.00 0.00 C ATOM 430 CG GLU A 33 -3.651 -2.567 5.422 1.00 0.00 C ATOM 431 CD GLU A 33 -4.653 -3.322 6.299 1.00 0.00 C ATOM 432 OE1 GLU A 33 -5.280 -2.652 7.148 1.00 0.00 O ATOM 433 OE2 GLU A 33 -4.769 -4.550 6.100 1.00 0.00 O ATOM 0 H GLU A 33 -5.278 -0.133 2.461 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.728 -1.434 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.202 -0.513 5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.425 -1.673 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.144 -3.267 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.885 -2.111 6.049 1.00 0.00 H new ATOM 438 N ILE A 34 -3.279 -3.625 2.253 1.00 0.00 N ATOM 439 CA ILE A 34 -3.533 -4.870 1.547 1.00 0.00 C ATOM 440 C ILE A 34 -4.511 -5.721 2.359 1.00 0.00 C ATOM 441 O ILE A 34 -4.411 -5.790 3.583 1.00 0.00 O ATOM 442 CB ILE A 34 -2.218 -5.582 1.227 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.230 -4.630 0.549 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.464 -6.842 0.394 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.401 -4.654 -0.972 1.00 0.00 C ATOM 0 H ILE A 34 -2.330 -3.524 2.612 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.004 -4.673 0.584 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.765 -5.901 2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.383 -3.617 0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.210 -4.913 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.512 -7.329 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.105 -7.526 0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.950 -6.570 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.687 -3.969 -1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.223 -5.664 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.415 -4.347 -1.229 1.00 0.00 H new ATOM 456 N LEU A 35 -5.435 -6.347 1.645 1.00 0.00 N ATOM 457 CA LEU A 35 -6.430 -7.191 2.284 1.00 0.00 C ATOM 458 C LEU A 35 -6.292 -8.621 1.761 1.00 0.00 C ATOM 459 O LEU A 35 -6.291 -9.575 2.540 1.00 0.00 O ATOM 460 CB LEU A 35 -7.830 -6.602 2.100 1.00 0.00 C ATOM 461 CG LEU A 35 -7.983 -5.117 2.438 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.426 -4.653 2.227 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.488 -4.824 3.856 1.00 0.00 C ATOM 0 H LEU A 35 -5.515 -6.287 0.630 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.263 -7.228 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.132 -6.751 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.525 -7.169 2.719 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.357 -4.544 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.508 -3.595 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.709 -4.805 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.091 -5.228 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.608 -3.762 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.068 -5.407 4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.435 -5.094 3.937 1.00 0.00 H new ATOM 474 N SER A 36 -6.177 -8.729 0.446 1.00 0.00 N ATOM 475 CA SER A 36 -6.038 -10.027 -0.191 1.00 0.00 C ATOM 476 C SER A 36 -5.347 -9.874 -1.547 1.00 0.00 C ATOM 477 O SER A 36 -5.554 -8.882 -2.245 1.00 0.00 O ATOM 478 CB SER A 36 -7.398 -10.706 -0.361 1.00 0.00 C ATOM 479 OG SER A 36 -7.364 -12.077 0.027 1.00 0.00 O ATOM 0 H SER A 36 -6.177 -7.937 -0.197 1.00 0.00 H new ATOM 0 HA SER A 36 -5.425 -10.659 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.143 -10.179 0.235 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.712 -10.632 -1.402 1.00 0.00 H new ATOM 0 HG SER A 36 -8.252 -12.474 -0.095 1.00 0.00 H new ATOM 484 N VAL A 37 -4.542 -10.871 -1.881 1.00 0.00 N ATOM 485 CA VAL A 37 -3.820 -10.860 -3.142 1.00 0.00 C ATOM 486 C VAL A 37 -4.454 -11.872 -4.098 1.00 0.00 C ATOM 487 O VAL A 37 -5.272 -12.693 -3.685 1.00 0.00 O ATOM 488 CB VAL A 37 -2.332 -11.122 -2.896 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.556 -11.154 -4.213 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.744 -10.083 -1.939 1.00 0.00 C ATOM 0 H VAL A 37 -4.373 -11.692 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.891 -9.880 -3.613 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.237 -12.102 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.502 -11.342 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.950 -11.947 -4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.662 -10.196 -4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.686 -10.292 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.857 -9.088 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.269 -10.129 -0.985 1.00 0.00 H new ATOM 500 N LYS A 38 -4.054 -11.780 -5.358 1.00 0.00 N ATOM 501 CA LYS A 38 -4.573 -12.679 -6.375 1.00 0.00 C ATOM 502 C LYS A 38 -3.614 -12.701 -7.567 1.00 0.00 C ATOM 503 O LYS A 38 -2.575 -12.044 -7.544 1.00 0.00 O ATOM 504 CB LYS A 38 -6.007 -12.294 -6.747 1.00 0.00 C ATOM 505 CG LYS A 38 -6.776 -13.502 -7.285 1.00 0.00 C ATOM 506 CD LYS A 38 -7.188 -13.285 -8.742 1.00 0.00 C ATOM 507 CE LYS A 38 -8.663 -12.891 -8.842 1.00 0.00 C ATOM 508 NZ LYS A 38 -8.863 -11.505 -8.363 1.00 0.00 N ATOM 0 H LYS A 38 -3.377 -11.097 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.629 -13.698 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.518 -11.893 -5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.992 -11.504 -7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.157 -14.396 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.662 -13.675 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.569 -12.506 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.012 -14.197 -9.313 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.999 -12.977 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.270 -13.577 -8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.817 -11.182 -8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.757 -11.476 -7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.155 -10.881 -8.801 1.00 0.00 H new ATOM 518 N ASP A 39 -3.998 -13.465 -8.579 1.00 0.00 N ATOM 519 CA ASP A 39 -3.183 -13.582 -9.778 1.00 0.00 C ATOM 520 C ASP A 39 -4.046 -14.118 -10.923 1.00 0.00 C ATOM 521 O ASP A 39 -4.663 -15.174 -10.798 1.00 0.00 O ATOM 522 CB ASP A 39 -2.024 -14.557 -9.564 1.00 0.00 C ATOM 523 CG ASP A 39 -1.473 -15.196 -10.839 1.00 0.00 C ATOM 524 OD1 ASP A 39 -0.584 -14.566 -11.451 1.00 0.00 O ATOM 525 OD2 ASP A 39 -1.952 -16.301 -11.173 1.00 0.00 O ATOM 0 H ASP A 39 -4.861 -14.009 -8.594 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.784 -12.595 -10.013 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.214 -14.030 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.355 -15.349 -8.892 1.00 0.00 H new ATOM 529 N ILE A 40 -4.058 -13.365 -12.014 1.00 0.00 N ATOM 530 CA ILE A 40 -4.833 -13.751 -13.180 1.00 0.00 C ATOM 531 C ILE A 40 -3.937 -13.711 -14.419 1.00 0.00 C ATOM 532 O ILE A 40 -4.009 -12.772 -15.211 1.00 0.00 O ATOM 533 CB ILE A 40 -6.089 -12.884 -13.300 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.955 -12.997 -12.043 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.872 -13.227 -14.569 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.636 -11.664 -11.726 1.00 0.00 C ATOM 0 H ILE A 40 -3.543 -12.490 -12.114 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.190 -14.776 -13.078 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.779 -11.842 -13.385 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.710 -13.771 -12.185 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.338 -13.305 -11.198 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.759 -12.597 -14.630 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.243 -13.054 -15.442 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.172 -14.275 -14.539 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.245 -11.771 -10.829 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.878 -10.898 -11.561 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.271 -11.372 -12.563 1.00 0.00 H new ATOM 547 N SER A 41 -3.113 -14.740 -14.548 1.00 0.00 N ATOM 548 CA SER A 41 -2.204 -14.833 -15.678 1.00 0.00 C ATOM 549 C SER A 41 -1.083 -13.801 -15.534 1.00 0.00 C ATOM 550 O SER A 41 -0.793 -13.060 -16.472 1.00 0.00 O ATOM 551 CB SER A 41 -2.945 -14.630 -17.000 1.00 0.00 C ATOM 552 OG SER A 41 -2.609 -15.628 -17.959 1.00 0.00 O ATOM 0 H SER A 41 -3.056 -15.516 -13.889 1.00 0.00 H new ATOM 0 HA SER A 41 -1.770 -15.833 -15.686 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.020 -14.648 -16.820 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.706 -13.646 -17.402 1.00 0.00 H new ATOM 0 HG SER A 41 -3.104 -15.464 -18.789 1.00 0.00 H new ATOM 557 N GLY A 42 -0.484 -13.786 -14.352 1.00 0.00 N ATOM 558 CA GLY A 42 0.599 -12.858 -14.074 1.00 0.00 C ATOM 559 C GLY A 42 0.061 -11.547 -13.496 1.00 0.00 C ATOM 560 O GLY A 42 0.784 -10.823 -12.813 1.00 0.00 O ATOM 0 H GLY A 42 -0.728 -14.402 -13.576 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.299 -13.310 -13.371 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.154 -12.655 -14.990 1.00 0.00 H new ATOM 564 N ARG A 43 -1.202 -11.281 -13.793 1.00 0.00 N ATOM 565 CA ARG A 43 -1.845 -10.070 -13.312 1.00 0.00 C ATOM 566 C ARG A 43 -2.249 -10.230 -11.845 1.00 0.00 C ATOM 567 O ARG A 43 -3.378 -10.618 -11.547 1.00 0.00 O ATOM 568 CB ARG A 43 -3.086 -9.737 -14.143 1.00 0.00 C ATOM 569 CG ARG A 43 -3.373 -8.234 -14.122 1.00 0.00 C ATOM 570 CD ARG A 43 -4.384 -7.884 -13.028 1.00 0.00 C ATOM 571 NE ARG A 43 -5.471 -7.053 -13.592 1.00 0.00 N ATOM 572 CZ ARG A 43 -5.288 -5.838 -14.127 1.00 0.00 C ATOM 573 NH1 ARG A 43 -4.060 -5.305 -14.174 1.00 0.00 N ATOM 574 NH2 ARG A 43 -6.334 -5.156 -14.614 1.00 0.00 N ATOM 0 H ARG A 43 -1.798 -11.883 -14.361 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.129 -9.254 -13.408 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.939 -10.069 -15.171 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.946 -10.281 -13.752 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.446 -7.685 -13.955 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.758 -7.920 -15.092 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.798 -8.796 -12.598 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.887 -7.348 -12.220 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.419 -7.429 -13.572 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.264 -5.824 -13.803 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.921 -4.380 -14.581 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.269 -5.562 -14.577 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.195 -4.231 -15.021 1.00 0.00 H new ATOM 585 N LYS A 44 -1.305 -9.924 -10.967 1.00 0.00 N ATOM 586 CA LYS A 44 -1.549 -10.029 -9.538 1.00 0.00 C ATOM 587 C LYS A 44 -2.506 -8.917 -9.105 1.00 0.00 C ATOM 588 O LYS A 44 -2.291 -7.748 -9.425 1.00 0.00 O ATOM 589 CB LYS A 44 -0.226 -10.037 -8.769 1.00 0.00 C ATOM 590 CG LYS A 44 0.131 -11.451 -8.306 1.00 0.00 C ATOM 591 CD LYS A 44 0.356 -11.492 -6.794 1.00 0.00 C ATOM 592 CE LYS A 44 1.725 -10.915 -6.428 1.00 0.00 C ATOM 593 NZ LYS A 44 2.753 -11.981 -6.425 1.00 0.00 N ATOM 0 H LYS A 44 -0.370 -9.603 -11.217 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.034 -10.976 -9.302 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.570 -9.647 -9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.299 -9.375 -7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.670 -12.139 -8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.030 -11.790 -8.820 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.428 -10.926 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.284 -12.520 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.001 -10.138 -7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.677 -10.445 -5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.676 -11.572 -6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.496 -12.709 -5.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.810 -12.411 -7.370 1.00 0.00 H new ATOM 603 N LEU A 45 -3.543 -9.319 -8.385 1.00 0.00 N ATOM 604 CA LEU A 45 -4.533 -8.371 -7.905 1.00 0.00 C ATOM 605 C LEU A 45 -4.447 -8.278 -6.381 1.00 0.00 C ATOM 606 O LEU A 45 -4.316 -9.294 -5.699 1.00 0.00 O ATOM 607 CB LEU A 45 -5.925 -8.743 -8.420 1.00 0.00 C ATOM 608 CG LEU A 45 -6.508 -7.828 -9.499 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.396 -7.196 -10.340 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.525 -8.578 -10.363 1.00 0.00 C ATOM 0 H LEU A 45 -3.719 -10.289 -8.123 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.328 -7.375 -8.298 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.885 -9.758 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.612 -8.757 -7.574 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.042 -7.015 -9.007 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.837 -6.550 -11.100 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.744 -6.606 -9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.815 -7.981 -10.824 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.924 -7.905 -11.122 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.037 -9.423 -10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.339 -8.940 -9.735 1.00 0.00 H new ATOM 621 N PHE A 46 -4.523 -7.050 -5.889 1.00 0.00 N ATOM 622 CA PHE A 46 -4.455 -6.811 -4.457 1.00 0.00 C ATOM 623 C PHE A 46 -5.595 -5.898 -3.999 1.00 0.00 C ATOM 624 O PHE A 46 -5.680 -4.746 -4.420 1.00 0.00 O ATOM 625 CB PHE A 46 -3.120 -6.116 -4.183 1.00 0.00 C ATOM 626 CG PHE A 46 -1.923 -6.772 -4.875 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.727 -6.592 -6.209 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.056 -7.535 -4.157 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.617 -7.201 -6.852 1.00 0.00 C ATOM 630 CE2 PHE A 46 0.055 -8.143 -4.799 1.00 0.00 C ATOM 631 CZ PHE A 46 0.251 -7.964 -6.134 1.00 0.00 C ATOM 0 H PHE A 46 -4.631 -6.210 -6.457 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.541 -7.754 -3.918 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.190 -5.078 -4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.943 -6.103 -3.108 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.416 -5.986 -6.779 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.213 -7.679 -3.098 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.462 -7.058 -7.911 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.744 -8.747 -4.228 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.095 -8.427 -6.623 1.00 0.00 H new ATOM 640 N TYR A 47 -6.442 -6.449 -3.142 1.00 0.00 N ATOM 641 CA TYR A 47 -7.573 -5.700 -2.622 1.00 0.00 C ATOM 642 C TYR A 47 -7.125 -4.700 -1.554 1.00 0.00 C ATOM 643 O TYR A 47 -7.078 -5.031 -0.370 1.00 0.00 O ATOM 644 CB TYR A 47 -8.503 -6.731 -1.979 1.00 0.00 C ATOM 645 CG TYR A 47 -9.906 -6.201 -1.679 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.569 -5.432 -2.614 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.510 -6.493 -0.473 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.889 -4.933 -2.331 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.831 -5.994 -0.189 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.456 -5.239 -1.132 1.00 0.00 C ATOM 651 OH TYR A 47 -13.704 -4.768 -0.866 1.00 0.00 O ATOM 0 H TYR A 47 -6.368 -7.405 -2.795 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.059 -5.138 -3.419 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.585 -7.593 -2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.052 -7.083 -1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.097 -5.205 -3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.992 -7.096 0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.418 -4.329 -3.054 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.314 -6.214 0.751 1.00 0.00 H new ATOM 0 HH TYR A 47 -13.811 -3.881 -1.268 1.00 0.00 H new ATOM 660 N VAL A 48 -6.804 -3.499 -2.011 1.00 0.00 N ATOM 661 CA VAL A 48 -6.360 -2.449 -1.109 1.00 0.00 C ATOM 662 C VAL A 48 -7.552 -1.564 -0.738 1.00 0.00 C ATOM 663 O VAL A 48 -8.507 -1.449 -1.504 1.00 0.00 O ATOM 664 CB VAL A 48 -5.208 -1.666 -1.745 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.049 -2.596 -2.109 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.689 -0.882 -2.968 1.00 0.00 C ATOM 0 H VAL A 48 -6.842 -3.229 -2.994 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.973 -2.877 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.843 -0.949 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.244 -2.015 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.682 -3.089 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.395 -3.347 -2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.852 -0.334 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.092 -1.573 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.466 -0.179 -2.667 1.00 0.00 H new ATOM 676 N HIS A 49 -7.457 -0.962 0.438 1.00 0.00 N ATOM 677 CA HIS A 49 -8.515 -0.091 0.920 1.00 0.00 C ATOM 678 C HIS A 49 -7.933 1.282 1.265 1.00 0.00 C ATOM 679 O HIS A 49 -7.109 1.402 2.170 1.00 0.00 O ATOM 680 CB HIS A 49 -9.253 -0.732 2.096 1.00 0.00 C ATOM 681 CG HIS A 49 -10.135 0.224 2.863 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.178 0.917 2.275 1.00 0.00 N ATOM 683 CD2 HIS A 49 -10.120 0.591 4.176 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.756 1.667 3.202 1.00 0.00 C ATOM 685 NE2 HIS A 49 -11.098 1.465 4.379 1.00 0.00 N ATOM 0 H HIS A 49 -6.664 -1.060 1.071 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.257 0.053 0.135 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -9.864 -1.554 1.723 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.521 -1.163 2.779 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.429 0.231 4.924 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.600 2.323 3.052 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -11.321 1.912 5.269 1.00 0.00 H new ATOM 692 N TYR A 50 -8.384 2.283 0.522 1.00 0.00 N ATOM 693 CA TYR A 50 -7.918 3.642 0.737 1.00 0.00 C ATOM 694 C TYR A 50 -8.350 4.159 2.110 1.00 0.00 C ATOM 695 O TYR A 50 -9.531 4.424 2.335 1.00 0.00 O ATOM 696 CB TYR A 50 -8.584 4.492 -0.348 1.00 0.00 C ATOM 697 CG TYR A 50 -8.231 4.068 -1.775 1.00 0.00 C ATOM 698 CD1 TYR A 50 -6.932 4.180 -2.227 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.213 3.572 -2.609 1.00 0.00 C ATOM 700 CE1 TYR A 50 -6.600 3.781 -3.571 1.00 0.00 C ATOM 701 CE2 TYR A 50 -8.880 3.173 -3.953 1.00 0.00 C ATOM 702 CZ TYR A 50 -7.591 3.298 -4.367 1.00 0.00 C ATOM 703 OH TYR A 50 -7.277 2.920 -5.636 1.00 0.00 O ATOM 0 H TYR A 50 -9.067 2.180 -0.229 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.830 3.686 0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.666 4.441 -0.222 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.295 5.534 -0.207 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.164 4.567 -1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.229 3.483 -2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.588 3.864 -3.938 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.638 2.783 -4.617 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.063 2.517 -6.061 1.00 0.00 H new ATOM 712 N ILE A 51 -7.371 4.288 2.993 1.00 0.00 N ATOM 713 CA ILE A 51 -7.636 4.768 4.339 1.00 0.00 C ATOM 714 C ILE A 51 -7.478 6.291 4.373 1.00 0.00 C ATOM 715 O ILE A 51 -6.359 6.803 4.366 1.00 0.00 O ATOM 716 CB ILE A 51 -6.754 4.037 5.352 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.298 3.995 4.884 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.302 2.639 5.647 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.956 2.631 4.280 1.00 0.00 C ATOM 0 H ILE A 51 -6.393 4.069 2.803 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.664 4.546 4.627 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.774 4.596 6.288 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.127 4.777 4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.636 4.201 5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.657 2.140 6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.309 2.722 6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.331 2.058 4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.916 2.627 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.105 1.854 5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.604 2.439 3.425 1.00 0.00 H new ATOM 730 N ASP A 52 -8.614 6.971 4.407 1.00 0.00 N ATOM 731 CA ASP A 52 -8.616 8.423 4.442 1.00 0.00 C ATOM 732 C ASP A 52 -10.037 8.921 4.717 1.00 0.00 C ATOM 733 O ASP A 52 -10.517 9.839 4.055 1.00 0.00 O ATOM 734 CB ASP A 52 -8.163 9.007 3.101 1.00 0.00 C ATOM 735 CG ASP A 52 -7.662 10.452 3.161 1.00 0.00 C ATOM 736 OD1 ASP A 52 -6.568 10.650 3.732 1.00 0.00 O ATOM 737 OD2 ASP A 52 -8.386 11.325 2.635 1.00 0.00 O ATOM 0 H ASP A 52 -9.540 6.543 4.411 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.929 8.742 5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.368 8.379 2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.996 8.956 2.400 1.00 0.00 H new ATOM 741 N PHE A 53 -10.670 8.292 5.697 1.00 0.00 N ATOM 742 CA PHE A 53 -12.025 8.659 6.069 1.00 0.00 C ATOM 743 C PHE A 53 -12.994 8.428 4.908 1.00 0.00 C ATOM 744 O PHE A 53 -13.093 9.255 4.004 1.00 0.00 O ATOM 745 CB PHE A 53 -12.006 10.150 6.413 1.00 0.00 C ATOM 746 CG PHE A 53 -12.557 10.475 7.804 1.00 0.00 C ATOM 747 CD1 PHE A 53 -11.958 9.958 8.910 1.00 0.00 C ATOM 748 CD2 PHE A 53 -13.645 11.280 7.933 1.00 0.00 C ATOM 749 CE1 PHE A 53 -12.468 10.259 10.200 1.00 0.00 C ATOM 750 CE2 PHE A 53 -14.156 11.580 9.223 1.00 0.00 C ATOM 751 CZ PHE A 53 -13.557 11.064 10.330 1.00 0.00 C ATOM 0 H PHE A 53 -10.269 7.531 6.244 1.00 0.00 H new ATOM 0 HA PHE A 53 -12.357 8.051 6.911 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.981 10.515 6.345 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.588 10.692 5.667 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -11.094 9.318 8.807 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -14.120 11.691 7.055 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -11.992 9.849 11.078 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -15.021 12.218 9.326 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.946 11.293 11.311 1.00 0.00 H new ATOM 760 N ASN A 54 -13.684 7.299 4.971 1.00 0.00 N ATOM 761 CA ASN A 54 -14.641 6.948 3.936 1.00 0.00 C ATOM 762 C ASN A 54 -15.176 5.538 4.198 1.00 0.00 C ATOM 763 O ASN A 54 -14.997 4.996 5.286 1.00 0.00 O ATOM 764 CB ASN A 54 -13.986 6.956 2.553 1.00 0.00 C ATOM 765 CG ASN A 54 -14.736 7.886 1.596 1.00 0.00 C ATOM 766 OD1 ASN A 54 -15.893 7.680 1.270 1.00 0.00 O ATOM 767 ND2 ASN A 54 -14.014 8.917 1.167 1.00 0.00 N ATOM 0 H ASN A 54 -13.599 6.615 5.723 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.445 7.683 3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.948 7.278 2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.973 5.944 2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.424 9.595 0.525 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.050 9.030 1.480 1.00 0.00 H new ATOM 773 N ARG A 55 -15.821 4.986 3.180 1.00 0.00 N ATOM 774 CA ARG A 55 -16.382 3.651 3.287 1.00 0.00 C ATOM 775 C ARG A 55 -16.175 2.882 1.979 1.00 0.00 C ATOM 776 O ARG A 55 -15.414 1.917 1.937 1.00 0.00 O ATOM 777 CB ARG A 55 -17.878 3.705 3.606 1.00 0.00 C ATOM 778 CG ARG A 55 -18.294 2.525 4.485 1.00 0.00 C ATOM 779 CD ARG A 55 -19.079 1.489 3.676 1.00 0.00 C ATOM 780 NE ARG A 55 -20.529 1.637 3.936 1.00 0.00 N ATOM 781 CZ ARG A 55 -21.091 1.526 5.147 1.00 0.00 C ATOM 782 NH1 ARG A 55 -20.328 1.264 6.217 1.00 0.00 N ATOM 783 NH2 ARG A 55 -22.414 1.676 5.288 1.00 0.00 N ATOM 0 H ARG A 55 -15.967 5.439 2.278 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.867 3.140 4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -18.112 4.641 4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -18.452 3.693 2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -17.409 2.059 4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -18.904 2.882 5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -18.877 1.617 2.613 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -18.754 0.484 3.944 1.00 0.00 H new ATOM 0 HE ARG A 55 -21.139 1.836 3.143 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -19.320 1.149 6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -20.755 1.179 7.139 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -22.994 1.875 4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -22.841 1.591 6.210 1.00 0.00 H new ATOM 794 N ARG A 56 -16.867 3.339 0.946 1.00 0.00 N ATOM 795 CA ARG A 56 -16.768 2.707 -0.359 1.00 0.00 C ATOM 796 C ARG A 56 -15.448 3.087 -1.035 1.00 0.00 C ATOM 797 O ARG A 56 -15.393 4.049 -1.799 1.00 0.00 O ATOM 798 CB ARG A 56 -17.932 3.120 -1.261 1.00 0.00 C ATOM 799 CG ARG A 56 -19.166 2.258 -0.991 1.00 0.00 C ATOM 800 CD ARG A 56 -20.428 3.119 -0.901 1.00 0.00 C ATOM 801 NE ARG A 56 -21.452 2.433 -0.082 1.00 0.00 N ATOM 802 CZ ARG A 56 -22.690 2.904 0.123 1.00 0.00 C ATOM 803 NH1 ARG A 56 -23.065 4.066 -0.430 1.00 0.00 N ATOM 804 NH2 ARG A 56 -23.553 2.215 0.882 1.00 0.00 N ATOM 0 H ARG A 56 -17.498 4.139 0.986 1.00 0.00 H new ATOM 0 HA ARG A 56 -16.805 1.628 -0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -18.173 4.170 -1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -17.639 3.024 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -19.280 1.521 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -19.032 1.705 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -20.187 4.087 -0.461 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -20.819 3.311 -1.900 1.00 0.00 H new ATOM 0 HE ARG A 56 -21.200 1.546 0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -22.408 4.592 -1.007 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -24.007 4.424 -0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -23.268 1.331 1.304 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -24.495 2.574 1.037 1.00 0.00 H new ATOM 815 N LEU A 57 -14.418 2.313 -0.728 1.00 0.00 N ATOM 816 CA LEU A 57 -13.103 2.557 -1.296 1.00 0.00 C ATOM 817 C LEU A 57 -12.439 1.218 -1.625 1.00 0.00 C ATOM 818 O LEU A 57 -11.896 1.042 -2.715 1.00 0.00 O ATOM 819 CB LEU A 57 -12.273 3.443 -0.365 1.00 0.00 C ATOM 820 CG LEU A 57 -12.391 4.951 -0.594 1.00 0.00 C ATOM 821 CD1 LEU A 57 -11.767 5.731 0.565 1.00 0.00 C ATOM 822 CD2 LEU A 57 -11.790 5.349 -1.944 1.00 0.00 C ATOM 0 H LEU A 57 -14.467 1.516 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.188 3.110 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -12.563 3.228 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.225 3.161 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.449 5.211 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.864 6.800 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.280 5.477 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.712 5.472 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.887 6.426 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.736 5.073 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.319 4.832 -2.744 1.00 0.00 H new ATOM 833 N ASP A 58 -12.503 0.310 -0.663 1.00 0.00 N ATOM 834 CA ASP A 58 -11.914 -1.008 -0.837 1.00 0.00 C ATOM 835 C ASP A 58 -12.183 -1.497 -2.262 1.00 0.00 C ATOM 836 O ASP A 58 -13.335 -1.642 -2.665 1.00 0.00 O ATOM 837 CB ASP A 58 -12.528 -2.018 0.134 1.00 0.00 C ATOM 838 CG ASP A 58 -14.038 -1.885 0.336 1.00 0.00 C ATOM 839 OD1 ASP A 58 -14.774 -2.359 -0.556 1.00 0.00 O ATOM 840 OD2 ASP A 58 -14.423 -1.312 1.378 1.00 0.00 O ATOM 0 H ASP A 58 -12.953 0.460 0.240 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.844 -0.928 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.312 -3.024 -0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.037 -1.914 1.101 1.00 0.00 H new ATOM 844 N GLU A 59 -11.099 -1.739 -2.984 1.00 0.00 N ATOM 845 CA GLU A 59 -11.202 -2.210 -4.355 1.00 0.00 C ATOM 846 C GLU A 59 -9.956 -3.012 -4.737 1.00 0.00 C ATOM 847 O GLU A 59 -8.974 -3.027 -3.998 1.00 0.00 O ATOM 848 CB GLU A 59 -11.421 -1.044 -5.320 1.00 0.00 C ATOM 849 CG GLU A 59 -10.268 -0.042 -5.241 1.00 0.00 C ATOM 850 CD GLU A 59 -9.965 0.555 -6.616 1.00 0.00 C ATOM 851 OE1 GLU A 59 -9.984 -0.228 -7.591 1.00 0.00 O ATOM 852 OE2 GLU A 59 -9.722 1.780 -6.662 1.00 0.00 O ATOM 0 H GLU A 59 -10.145 -1.618 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.069 -2.867 -4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.510 -1.422 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.360 -0.543 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.522 0.755 -4.542 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.378 -0.536 -4.851 1.00 0.00 H new ATOM 857 N TRP A 60 -10.038 -3.657 -5.891 1.00 0.00 N ATOM 858 CA TRP A 60 -8.929 -4.458 -6.380 1.00 0.00 C ATOM 859 C TRP A 60 -8.000 -3.542 -7.179 1.00 0.00 C ATOM 860 O TRP A 60 -8.462 -2.712 -7.960 1.00 0.00 O ATOM 861 CB TRP A 60 -9.432 -5.653 -7.192 1.00 0.00 C ATOM 862 CG TRP A 60 -10.273 -6.644 -6.385 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.590 -6.605 -6.146 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.796 -7.832 -5.717 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.997 -7.675 -5.374 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.871 -8.445 -5.107 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.500 -8.370 -5.633 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.759 -9.629 -4.368 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.405 -9.553 -4.891 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.478 -10.183 -4.269 1.00 0.00 C ATOM 0 H TRP A 60 -10.855 -3.641 -6.501 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.367 -4.886 -5.550 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -10.026 -5.286 -8.029 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.576 -6.179 -7.614 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.251 -5.833 -6.511 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.948 -7.865 -5.058 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.645 -7.907 -6.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.616 -10.090 -3.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.431 -10.009 -4.795 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.323 -11.095 -3.712 1.00 0.00 H new ATOM 880 N VAL A 61 -6.707 -3.722 -6.953 1.00 0.00 N ATOM 881 CA VAL A 61 -5.708 -2.922 -7.642 1.00 0.00 C ATOM 882 C VAL A 61 -4.601 -3.837 -8.168 1.00 0.00 C ATOM 883 O VAL A 61 -4.612 -5.041 -7.912 1.00 0.00 O ATOM 884 CB VAL A 61 -5.186 -1.824 -6.714 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.321 -0.904 -6.259 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.454 -2.425 -5.511 1.00 0.00 C ATOM 0 H VAL A 61 -6.328 -4.410 -6.302 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.149 -2.419 -8.503 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.472 -1.223 -7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.922 -0.133 -5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.781 -0.436 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.069 -1.487 -5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.093 -1.623 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.138 -3.061 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.609 -3.019 -5.859 1.00 0.00 H new ATOM 896 N THR A 62 -3.671 -3.233 -8.892 1.00 0.00 N ATOM 897 CA THR A 62 -2.558 -3.978 -9.455 1.00 0.00 C ATOM 898 C THR A 62 -1.271 -3.678 -8.686 1.00 0.00 C ATOM 899 O THR A 62 -1.300 -3.002 -7.658 1.00 0.00 O ATOM 900 CB THR A 62 -2.468 -3.641 -10.945 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.269 -2.230 -10.970 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.800 -3.841 -11.672 1.00 0.00 C ATOM 0 H THR A 62 -3.665 -2.235 -9.102 1.00 0.00 H new ATOM 0 HA THR A 62 -2.714 -5.053 -9.359 1.00 0.00 H new ATOM 0 HB THR A 62 -1.702 -4.261 -11.412 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.644 -1.861 -11.797 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.681 -3.588 -12.726 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.111 -4.882 -11.582 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.558 -3.196 -11.227 1.00 0.00 H new ATOM 910 N HIS A 63 -0.170 -4.195 -9.213 1.00 0.00 N ATOM 911 CA HIS A 63 1.126 -3.990 -8.588 1.00 0.00 C ATOM 912 C HIS A 63 1.728 -2.672 -9.076 1.00 0.00 C ATOM 913 O HIS A 63 2.565 -2.078 -8.397 1.00 0.00 O ATOM 914 CB HIS A 63 2.044 -5.189 -8.836 1.00 0.00 C ATOM 915 CG HIS A 63 3.505 -4.906 -8.582 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.111 -4.101 -7.664 1.00 0.00 N flip ATOM 917 CD2 HIS A 63 4.520 -5.484 -9.325 1.00 0.00 C flip ATOM 918 CE1 HIS A 63 5.425 -4.183 -7.835 1.00 0.00 C flip ATOM 919 NE2 HIS A 63 5.681 -5.041 -8.864 1.00 0.00 N flip ATOM 0 H HIS A 63 -0.149 -4.755 -10.065 1.00 0.00 H new ATOM 0 HA HIS A 63 1.005 -3.916 -7.507 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.728 -6.014 -8.198 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.922 -5.520 -9.868 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.388 -6.178 -10.142 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.169 -3.657 -7.255 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.603 -5.297 -9.217 1.00 0.00 H new ATOM 926 N GLU A 64 1.280 -2.251 -10.250 1.00 0.00 N ATOM 927 CA GLU A 64 1.765 -1.014 -10.837 1.00 0.00 C ATOM 928 C GLU A 64 1.456 0.168 -9.915 1.00 0.00 C ATOM 929 O GLU A 64 2.214 1.134 -9.864 1.00 0.00 O ATOM 930 CB GLU A 64 1.166 -0.796 -12.228 1.00 0.00 C ATOM 931 CG GLU A 64 1.969 0.244 -13.014 1.00 0.00 C ATOM 932 CD GLU A 64 1.620 0.194 -14.502 1.00 0.00 C ATOM 933 OE1 GLU A 64 0.407 0.197 -14.802 1.00 0.00 O ATOM 934 OE2 GLU A 64 2.575 0.155 -15.307 1.00 0.00 O ATOM 0 H GLU A 64 0.586 -2.745 -10.811 1.00 0.00 H new ATOM 0 HA GLU A 64 2.847 -1.088 -10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.153 -1.739 -12.774 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.131 -0.467 -12.135 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.764 1.240 -12.622 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.035 0.062 -12.880 1.00 0.00 H new ATOM 939 N ARG A 65 0.339 0.051 -9.210 1.00 0.00 N ATOM 940 CA ARG A 65 -0.079 1.098 -8.293 1.00 0.00 C ATOM 941 C ARG A 65 0.604 0.918 -6.937 1.00 0.00 C ATOM 942 O ARG A 65 0.846 1.893 -6.226 1.00 0.00 O ATOM 943 CB ARG A 65 -1.596 1.084 -8.099 1.00 0.00 C ATOM 944 CG ARG A 65 -2.321 1.388 -9.412 1.00 0.00 C ATOM 945 CD ARG A 65 -3.449 0.386 -9.661 1.00 0.00 C ATOM 946 NE ARG A 65 -4.697 1.104 -10.004 1.00 0.00 N ATOM 947 CZ ARG A 65 -5.753 0.533 -10.599 1.00 0.00 C ATOM 948 NH1 ARG A 65 -5.718 -0.767 -10.922 1.00 0.00 N ATOM 949 NH2 ARG A 65 -6.844 1.262 -10.872 1.00 0.00 N ATOM 0 H ARG A 65 -0.288 -0.752 -9.256 1.00 0.00 H new ATOM 0 HA ARG A 65 0.212 2.055 -8.725 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.909 0.110 -7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.876 1.820 -7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.728 2.399 -9.381 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.612 1.355 -10.239 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.174 -0.290 -10.471 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.605 -0.227 -8.773 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.757 2.096 -9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.888 -1.322 -10.715 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.522 -1.202 -11.375 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.871 2.252 -10.627 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.648 0.827 -11.325 1.00 0.00 H new ATOM 960 N LEU A 66 0.896 -0.334 -6.617 1.00 0.00 N ATOM 961 CA LEU A 66 1.546 -0.654 -5.357 1.00 0.00 C ATOM 962 C LEU A 66 2.941 -0.025 -5.335 1.00 0.00 C ATOM 963 O LEU A 66 3.815 -0.420 -6.105 1.00 0.00 O ATOM 964 CB LEU A 66 1.549 -2.166 -5.124 1.00 0.00 C ATOM 965 CG LEU A 66 0.179 -2.813 -4.913 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.264 -4.334 -5.059 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.423 -2.399 -3.569 1.00 0.00 C ATOM 0 H LEU A 66 0.694 -1.140 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 66 0.990 -0.228 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.027 -2.645 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.168 -2.378 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.493 -2.451 -5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.723 -4.770 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.619 -4.584 -6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.957 -4.733 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.397 -2.873 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.239 -2.713 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.541 -1.316 -3.541 1.00 0.00 H new ATOM 978 N ASP A 67 3.106 0.942 -4.445 1.00 0.00 N ATOM 979 CA ASP A 67 4.379 1.628 -4.313 1.00 0.00 C ATOM 980 C ASP A 67 5.152 1.036 -3.132 1.00 0.00 C ATOM 981 O ASP A 67 5.286 1.676 -2.089 1.00 0.00 O ATOM 982 CB ASP A 67 4.175 3.121 -4.043 1.00 0.00 C ATOM 983 CG ASP A 67 5.272 4.033 -4.595 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.176 3.491 -5.267 1.00 0.00 O ATOM 985 OD2 ASP A 67 5.183 5.252 -4.331 1.00 0.00 O ATOM 0 H ASP A 67 2.379 1.267 -3.808 1.00 0.00 H new ATOM 0 HA ASP A 67 4.929 1.502 -5.246 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.220 3.425 -4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.104 3.274 -2.966 1.00 0.00 H new ATOM 989 N LEU A 68 5.641 -0.178 -3.336 1.00 0.00 N ATOM 990 CA LEU A 68 6.397 -0.864 -2.302 1.00 0.00 C ATOM 991 C LEU A 68 7.498 0.063 -1.781 1.00 0.00 C ATOM 992 O LEU A 68 7.994 -0.119 -0.671 1.00 0.00 O ATOM 993 CB LEU A 68 6.917 -2.206 -2.819 1.00 0.00 C ATOM 994 CG LEU A 68 5.964 -2.993 -3.720 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.405 -4.452 -3.844 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.520 -2.870 -3.230 1.00 0.00 C ATOM 0 H LEU A 68 5.528 -0.705 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 68 5.754 -1.103 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.841 -2.027 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.172 -2.829 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 68 6.003 -2.560 -4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.710 -4.989 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.406 -4.494 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.414 -4.915 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.863 -3.439 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.445 -3.262 -2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.222 -1.822 -3.237 1.00 0.00 H new ATOM 1007 N LYS A 69 7.847 1.037 -2.609 1.00 0.00 N ATOM 1008 CA LYS A 69 8.880 1.993 -2.246 1.00 0.00 C ATOM 1009 C LYS A 69 8.401 2.828 -1.057 1.00 0.00 C ATOM 1010 O LYS A 69 9.181 3.569 -0.461 1.00 0.00 O ATOM 1011 CB LYS A 69 9.285 2.830 -3.462 1.00 0.00 C ATOM 1012 CG LYS A 69 9.667 1.933 -4.642 1.00 0.00 C ATOM 1013 CD LYS A 69 10.995 2.376 -5.260 1.00 0.00 C ATOM 1014 CE LYS A 69 10.991 2.165 -6.775 1.00 0.00 C ATOM 1015 NZ LYS A 69 11.699 0.914 -7.126 1.00 0.00 N ATOM 0 H LYS A 69 7.433 1.185 -3.529 1.00 0.00 H new ATOM 0 HA LYS A 69 9.785 1.475 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.461 3.483 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.126 3.473 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.745 0.899 -4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.882 1.965 -5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.172 3.428 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.814 1.813 -4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.965 2.123 -7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.470 3.011 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.687 0.786 -8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.684 0.968 -6.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.225 0.108 -6.672 1.00 0.00 H new ATOM 1025 N LYS A 70 7.121 2.680 -0.748 1.00 0.00 N ATOM 1026 CA LYS A 70 6.530 3.411 0.360 1.00 0.00 C ATOM 1027 C LYS A 70 5.674 2.457 1.196 1.00 0.00 C ATOM 1028 O LYS A 70 4.746 2.887 1.878 1.00 0.00 O ATOM 1029 CB LYS A 70 5.767 4.633 -0.153 1.00 0.00 C ATOM 1030 CG LYS A 70 6.715 5.634 -0.818 1.00 0.00 C ATOM 1031 CD LYS A 70 6.359 7.070 -0.429 1.00 0.00 C ATOM 1032 CE LYS A 70 7.287 8.071 -1.119 1.00 0.00 C ATOM 1033 NZ LYS A 70 6.668 9.416 -1.148 1.00 0.00 N ATOM 0 H LYS A 70 6.477 2.065 -1.245 1.00 0.00 H new ATOM 0 HA LYS A 70 7.307 3.801 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.007 4.318 -0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.246 5.115 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.742 5.418 -0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.664 5.524 -1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.325 7.279 -0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.432 7.186 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.241 8.114 -0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.498 7.739 -2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.311 10.084 -1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.769 9.373 -1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.489 9.737 -0.175 1.00 0.00 H new ATOM 1043 N ILE A 71 6.017 1.180 1.114 1.00 0.00 N ATOM 1044 CA ILE A 71 5.292 0.162 1.855 1.00 0.00 C ATOM 1045 C ILE A 71 5.542 0.352 3.353 1.00 0.00 C ATOM 1046 O ILE A 71 6.509 1.001 3.746 1.00 0.00 O ATOM 1047 CB ILE A 71 5.654 -1.234 1.342 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.397 -2.030 0.986 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.536 -1.975 2.349 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.724 -3.511 0.790 1.00 0.00 C ATOM 0 H ILE A 71 6.787 0.827 0.546 1.00 0.00 H new ATOM 0 HA ILE A 71 4.219 0.266 1.695 1.00 0.00 H new ATOM 0 HB ILE A 71 6.234 -1.122 0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.656 -1.919 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.953 -1.628 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.779 -2.964 1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.455 -1.412 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.002 -2.077 3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.813 -4.054 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.447 -3.620 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.145 -3.916 1.711 1.00 0.00 H new ATOM 1061 N GLN A 72 4.653 -0.228 4.146 1.00 0.00 N ATOM 1062 CA GLN A 72 4.765 -0.131 5.592 1.00 0.00 C ATOM 1063 C GLN A 72 4.238 -1.406 6.252 1.00 0.00 C ATOM 1064 O GLN A 72 3.262 -1.365 6.999 1.00 0.00 O ATOM 1065 CB GLN A 72 4.030 1.103 6.117 1.00 0.00 C ATOM 1066 CG GLN A 72 4.799 2.383 5.786 1.00 0.00 C ATOM 1067 CD GLN A 72 4.455 3.502 6.771 1.00 0.00 C ATOM 1068 OE1 GLN A 72 5.260 3.914 7.590 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.215 3.967 6.647 1.00 0.00 N ATOM 0 H GLN A 72 3.852 -0.766 3.815 1.00 0.00 H new ATOM 0 HA GLN A 72 5.819 -0.022 5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.033 1.150 5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 72 3.900 1.021 7.196 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.870 2.185 5.815 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.561 2.702 4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.592 3.577 5.940 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.887 4.714 7.259 1.00 0.00 H new ATOM 1076 N PHE A 73 4.906 -2.511 5.952 1.00 0.00 N ATOM 1077 CA PHE A 73 4.517 -3.795 6.506 1.00 0.00 C ATOM 1078 C PHE A 73 4.039 -3.646 7.952 1.00 0.00 C ATOM 1079 O PHE A 73 4.429 -2.709 8.645 1.00 0.00 O ATOM 1080 CB PHE A 73 5.759 -4.688 6.482 1.00 0.00 C ATOM 1081 CG PHE A 73 5.990 -5.398 5.147 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.600 -4.743 4.125 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.584 -6.686 4.983 1.00 0.00 C ATOM 1084 CE1 PHE A 73 6.814 -5.401 2.885 1.00 0.00 C ATOM 1085 CE2 PHE A 73 5.797 -7.345 3.744 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.408 -6.690 2.721 1.00 0.00 C ATOM 0 H PHE A 73 5.715 -2.542 5.332 1.00 0.00 H new ATOM 0 HA PHE A 73 3.700 -4.219 5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.634 -4.082 6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.671 -5.437 7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 73 6.923 -3.721 4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.100 -7.207 5.796 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.298 -4.879 2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.474 -8.367 3.614 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.571 -7.192 1.779 1.00 0.00 H new ATOM 1095 N PRO A 74 3.178 -4.611 8.374 1.00 0.00 N ATOM 1096 CA PRO A 74 2.642 -4.595 9.725 1.00 0.00 C ATOM 1097 C PRO A 74 3.697 -5.044 10.739 1.00 0.00 C ATOM 1098 O PRO A 74 4.573 -5.844 10.415 1.00 0.00 O ATOM 1099 CB PRO A 74 1.433 -5.516 9.679 1.00 0.00 C ATOM 1100 CG PRO A 74 1.609 -6.372 8.435 1.00 0.00 C ATOM 1101 CD PRO A 74 2.694 -5.737 7.582 1.00 0.00 C ATOM 0 HA PRO A 74 2.353 -3.596 10.051 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.379 -6.135 10.575 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.507 -4.943 9.631 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.885 -7.390 8.708 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.674 -6.434 7.879 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.495 -6.445 7.369 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.299 -5.405 6.622 1.00 0.00 H new ATOM 1106 N LYS A 75 3.577 -4.509 11.945 1.00 0.00 N ATOM 1107 CA LYS A 75 4.510 -4.844 13.008 1.00 0.00 C ATOM 1108 C LYS A 75 4.167 -6.228 13.564 1.00 0.00 C ATOM 1109 O LYS A 75 3.038 -6.467 13.990 1.00 0.00 O ATOM 1110 CB LYS A 75 4.531 -3.742 14.069 1.00 0.00 C ATOM 1111 CG LYS A 75 5.428 -4.132 15.247 1.00 0.00 C ATOM 1112 CD LYS A 75 6.185 -2.916 15.784 1.00 0.00 C ATOM 1113 CE LYS A 75 7.563 -3.319 16.313 1.00 0.00 C ATOM 1114 NZ LYS A 75 8.565 -3.293 15.224 1.00 0.00 N ATOM 0 H LYS A 75 2.848 -3.846 12.210 1.00 0.00 H new ATOM 0 HA LYS A 75 5.527 -4.899 12.620 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.890 -2.813 13.626 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.518 -3.555 14.425 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.822 -4.568 16.041 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.138 -4.897 14.931 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.298 -2.175 14.993 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.608 -2.447 16.581 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.866 -2.640 17.110 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.515 -4.318 16.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.494 -3.569 15.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.283 -3.959 14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.623 -2.333 14.829 1.00 0.00 H new ATOM 1124 N LYS A 76 5.161 -7.102 13.542 1.00 0.00 N ATOM 1125 CA LYS A 76 4.979 -8.455 14.039 1.00 0.00 C ATOM 1126 C LYS A 76 6.342 -9.054 14.390 1.00 0.00 C ATOM 1127 O LYS A 76 7.252 -9.061 13.563 1.00 0.00 O ATOM 1128 CB LYS A 76 4.180 -9.291 13.037 1.00 0.00 C ATOM 1129 CG LYS A 76 3.455 -10.442 13.737 1.00 0.00 C ATOM 1130 CD LYS A 76 4.397 -11.625 13.969 1.00 0.00 C ATOM 1131 CE LYS A 76 3.617 -12.938 14.062 1.00 0.00 C ATOM 1132 NZ LYS A 76 4.380 -14.040 13.436 1.00 0.00 N ATOM 0 H LYS A 76 6.096 -6.900 13.188 1.00 0.00 H new ATOM 0 HA LYS A 76 4.389 -8.447 14.955 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.455 -8.657 12.526 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.850 -9.689 12.274 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.056 -10.098 14.691 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.606 -10.762 13.133 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.119 -11.684 13.155 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.963 -11.469 14.887 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.416 -13.175 15.107 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.651 -12.830 13.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.836 -14.924 13.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.550 -13.819 12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.291 -14.153 13.925 1.00 0.00 H new ATOM 1142 N GLU A 77 6.440 -9.541 15.618 1.00 0.00 N ATOM 1143 CA GLU A 77 7.678 -10.139 16.090 1.00 0.00 C ATOM 1144 C GLU A 77 7.979 -11.419 15.307 1.00 0.00 C ATOM 1145 O GLU A 77 7.433 -12.479 15.610 1.00 0.00 O ATOM 1146 CB GLU A 77 7.615 -10.416 17.593 1.00 0.00 C ATOM 1147 CG GLU A 77 7.833 -9.134 18.397 1.00 0.00 C ATOM 1148 CD GLU A 77 6.876 -9.063 19.587 1.00 0.00 C ATOM 1149 OE1 GLU A 77 6.536 -10.147 20.107 1.00 0.00 O ATOM 1150 OE2 GLU A 77 6.505 -7.926 19.951 1.00 0.00 O ATOM 0 H GLU A 77 5.682 -9.534 16.301 1.00 0.00 H new ATOM 0 HA GLU A 77 8.490 -9.432 15.919 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.647 -10.848 17.846 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.373 -11.152 17.863 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.863 -9.094 18.751 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.683 -8.267 17.753 1.00 0.00 H new ATOM 1155 N ALA A 78 8.848 -11.279 14.317 1.00 0.00 N ATOM 1156 CA ALA A 78 9.229 -12.411 13.490 1.00 0.00 C ATOM 1157 C ALA A 78 10.717 -12.311 13.149 1.00 0.00 C ATOM 1158 O ALA A 78 11.078 -11.902 12.047 1.00 0.00 O ATOM 1159 CB ALA A 78 8.345 -12.451 12.241 1.00 0.00 C ATOM 0 H ALA A 78 9.299 -10.399 14.069 1.00 0.00 H new ATOM 0 HA ALA A 78 9.077 -13.347 14.027 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.631 -13.300 11.620 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.301 -12.553 12.537 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.473 -11.528 11.675 1.00 0.00 H new ATOM 1165 N LYS A 79 11.539 -12.692 14.114 1.00 0.00 N ATOM 1166 CA LYS A 79 12.980 -12.649 13.930 1.00 0.00 C ATOM 1167 C LYS A 79 13.454 -13.982 13.347 1.00 0.00 C ATOM 1168 O LYS A 79 13.063 -15.046 13.822 1.00 0.00 O ATOM 1169 CB LYS A 79 13.676 -12.269 15.238 1.00 0.00 C ATOM 1170 CG LYS A 79 13.205 -10.900 15.733 1.00 0.00 C ATOM 1171 CD LYS A 79 14.093 -9.783 15.184 1.00 0.00 C ATOM 1172 CE LYS A 79 13.264 -8.548 14.826 1.00 0.00 C ATOM 1173 NZ LYS A 79 14.148 -7.406 14.499 1.00 0.00 N ATOM 0 H LYS A 79 11.235 -13.032 15.026 1.00 0.00 H new ATOM 0 HA LYS A 79 13.250 -11.872 13.215 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.470 -13.024 15.996 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.756 -12.254 15.088 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.173 -10.733 15.425 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.220 -10.879 16.823 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.847 -9.517 15.924 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.624 -10.137 14.301 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.618 -8.770 13.977 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.614 -8.285 15.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.569 -6.576 14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.747 -7.184 15.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.750 -7.654 13.688 1.00 0.00 H new ATOM 1183 N THR A 80 14.290 -13.878 12.323 1.00 0.00 N ATOM 1184 CA THR A 80 14.821 -15.061 11.668 1.00 0.00 C ATOM 1185 C THR A 80 16.280 -15.284 12.072 1.00 0.00 C ATOM 1186 O THR A 80 17.028 -14.327 12.265 1.00 0.00 O ATOM 1187 CB THR A 80 14.627 -14.895 10.160 1.00 0.00 C ATOM 1188 OG1 THR A 80 13.298 -14.394 10.034 1.00 0.00 O ATOM 1189 CG2 THR A 80 14.591 -16.236 9.423 1.00 0.00 C ATOM 0 H THR A 80 14.612 -12.993 11.932 1.00 0.00 H new ATOM 0 HA THR A 80 14.288 -15.959 11.981 1.00 0.00 H new ATOM 0 HB THR A 80 15.431 -14.280 9.756 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.089 -14.256 9.087 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.451 -16.061 8.356 1.00 0.00 H new ATOM 0 HG22 THR A 80 15.530 -16.765 9.584 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.766 -16.838 9.803 1.00 0.00 H new ATOM 1197 N PRO A 81 16.650 -16.588 12.191 1.00 0.00 N ATOM 1198 CA PRO A 81 18.007 -16.948 12.569 1.00 0.00 C ATOM 1199 C PRO A 81 18.973 -16.744 11.400 1.00 0.00 C ATOM 1200 O PRO A 81 19.459 -17.711 10.815 1.00 0.00 O ATOM 1201 CB PRO A 81 17.918 -18.397 13.019 1.00 0.00 C ATOM 1202 CG PRO A 81 16.618 -18.934 12.442 1.00 0.00 C ATOM 1203 CD PRO A 81 15.792 -17.747 11.971 1.00 0.00 C ATOM 0 HA PRO A 81 18.402 -16.320 13.367 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.772 -18.971 12.659 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.922 -18.469 14.107 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.820 -19.612 11.613 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.073 -19.504 13.194 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.521 -17.845 10.920 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.862 -17.664 12.533 1.00 0.00 H new ATOM 1208 N SER A 82 19.224 -15.479 11.097 1.00 0.00 N ATOM 1209 CA SER A 82 20.125 -15.135 10.009 1.00 0.00 C ATOM 1210 C SER A 82 19.427 -15.347 8.664 1.00 0.00 C ATOM 1211 O SER A 82 18.982 -16.453 8.359 1.00 0.00 O ATOM 1212 CB SER A 82 21.410 -15.963 10.075 1.00 0.00 C ATOM 1213 OG SER A 82 22.522 -15.267 9.519 1.00 0.00 O ATOM 0 H SER A 82 18.820 -14.680 11.585 1.00 0.00 H new ATOM 0 HA SER A 82 20.396 -14.084 10.109 1.00 0.00 H new ATOM 0 HB2 SER A 82 21.624 -16.218 11.113 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.265 -16.901 9.539 1.00 0.00 H new ATOM 0 HG SER A 82 23.323 -15.828 9.581 1.00 0.00 H new ATOM 1218 N GLY A 83 19.352 -14.270 7.896 1.00 0.00 N ATOM 1219 CA GLY A 83 18.714 -14.324 6.592 1.00 0.00 C ATOM 1220 C GLY A 83 19.496 -15.230 5.638 1.00 0.00 C ATOM 1221 O GLY A 83 20.549 -15.755 5.997 1.00 0.00 O ATOM 0 H GLY A 83 19.723 -13.355 8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.694 -14.694 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.647 -13.320 6.173 1.00 0.00 H new ATOM 1225 N PRO A 84 18.935 -15.390 4.409 1.00 0.00 N ATOM 1226 CA PRO A 84 19.567 -16.223 3.400 1.00 0.00 C ATOM 1227 C PRO A 84 20.783 -15.521 2.792 1.00 0.00 C ATOM 1228 O PRO A 84 20.652 -14.460 2.185 1.00 0.00 O ATOM 1229 CB PRO A 84 18.474 -16.507 2.383 1.00 0.00 C ATOM 1230 CG PRO A 84 17.407 -15.449 2.611 1.00 0.00 C ATOM 1231 CD PRO A 84 17.689 -14.784 3.949 1.00 0.00 C ATOM 0 HA PRO A 84 19.962 -17.153 3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 84 18.864 -16.456 1.366 1.00 0.00 H new ATOM 0 HB3 PRO A 84 18.066 -17.509 2.518 1.00 0.00 H new ATOM 0 HG2 PRO A 84 17.422 -14.712 1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 84 16.415 -15.901 2.611 1.00 0.00 H new ATOM 0 HD2 PRO A 84 17.790 -13.704 3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 84 16.879 -14.959 4.657 1.00 0.00 H new ATOM 1236 N SER A 85 21.938 -16.142 2.977 1.00 0.00 N ATOM 1237 CA SER A 85 23.177 -15.591 2.454 1.00 0.00 C ATOM 1238 C SER A 85 23.406 -14.189 3.022 1.00 0.00 C ATOM 1239 O SER A 85 22.928 -13.203 2.464 1.00 0.00 O ATOM 1240 CB SER A 85 23.158 -15.546 0.925 1.00 0.00 C ATOM 1241 OG SER A 85 24.453 -15.753 0.368 1.00 0.00 O ATOM 0 H SER A 85 22.042 -17.022 3.482 1.00 0.00 H new ATOM 0 HA SER A 85 23.997 -16.240 2.762 1.00 0.00 H new ATOM 0 HB2 SER A 85 22.476 -16.308 0.549 1.00 0.00 H new ATOM 0 HB3 SER A 85 22.772 -14.581 0.596 1.00 0.00 H new ATOM 0 HG SER A 85 24.398 -15.719 -0.610 1.00 0.00 H new ATOM 1246 N SER A 86 24.137 -14.145 4.127 1.00 0.00 N ATOM 1247 CA SER A 86 24.436 -12.880 4.777 1.00 0.00 C ATOM 1248 C SER A 86 24.726 -11.807 3.726 1.00 0.00 C ATOM 1249 O SER A 86 24.059 -10.775 3.687 1.00 0.00 O ATOM 1250 CB SER A 86 25.621 -13.020 5.734 1.00 0.00 C ATOM 1251 OG SER A 86 25.498 -14.166 6.572 1.00 0.00 O ATOM 0 H SER A 86 24.531 -14.965 4.588 1.00 0.00 H new ATOM 0 HA SER A 86 23.565 -12.581 5.361 1.00 0.00 H new ATOM 0 HB2 SER A 86 26.545 -13.088 5.160 1.00 0.00 H new ATOM 0 HB3 SER A 86 25.696 -12.125 6.352 1.00 0.00 H new ATOM 0 HG SER A 86 26.275 -14.221 7.167 1.00 0.00 H new ATOM 1256 N GLY A 87 25.722 -12.088 2.900 1.00 0.00 N ATOM 1257 CA GLY A 87 26.109 -11.159 1.851 1.00 0.00 C ATOM 1258 C GLY A 87 26.972 -10.026 2.412 1.00 0.00 C ATOM 1259 O GLY A 87 27.621 -9.304 1.658 1.00 0.00 O ATOM 0 H GLY A 87 26.273 -12.946 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 87 26.660 -11.690 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 87 25.217 -10.743 1.381 1.00 0.00 H new TER 1263 GLY A 87