USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 LYS N :NH3+ -134:sc= 1.53 (180deg=-0.961) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -6.73! C(o=-6.7!,f=-14!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot -170:sc= -1.23 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -21! C(o=-21!,f=-21!) USER MOD Single : A 18 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.018) USER MOD Single : A 19 THR OG1 : rot -150:sc= -1.43! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.00812) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -131:sc= -1.7 USER MOD Single : A 33 ASN : amide:sc= -4.76! C(o=-4.8!,f=-15!) USER MOD Single : A 42 THR OG1 : rot 66:sc= 1.11 USER MOD Single : A 47 TYR OH : rot 174:sc= -4.9! USER MOD Single : A 55 GLN : amide:sc= -0.617 K(o=-0.62,f=-1.8) USER MOD Single : A 58 GLN : amide:sc= -6.9! C(o=-6.9!,f=-13!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 148:sc= 0.0106 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.452 K(o=-0.45,f=-3.9!) USER MOD Single : A 63 THR OG1 : rot -149:sc= -1.74! USER MOD Single : A 65 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.16) USER MOD Single : A 69 SER OG : rot -120:sc= -4.41! USER MOD Single : A 72 GLN : amide:sc= -0.578 K(o=-0.58,f=-1.1) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.425 4.562 8.474 1.00 0.00 N ATOM 2 CA LYS A 1 -7.221 4.002 9.151 1.00 0.00 C ATOM 3 C LYS A 1 -5.978 4.781 8.717 1.00 0.00 C ATOM 4 O LYS A 1 -6.051 5.695 7.920 1.00 0.00 O ATOM 5 CB LYS A 1 -7.059 2.529 8.767 1.00 0.00 C ATOM 6 CG LYS A 1 -7.534 1.644 9.921 1.00 0.00 C ATOM 7 CD LYS A 1 -6.599 1.821 11.119 1.00 0.00 C ATOM 8 CE LYS A 1 -7.424 1.887 12.406 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.940 0.528 12.735 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.190 4.681 9.168 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.190 5.485 8.056 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.736 3.911 7.725 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.342 4.086 10.231 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.635 2.312 7.867 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.015 2.315 8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -8.554 1.909 10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.550 0.600 9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.894 0.991 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.012 2.732 11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.811 2.263 13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.254 2.583 12.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.501 0.572 13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.539 0.186 11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.141 -0.124 12.869 1.00 0.00 H new ATOM 25 N LYS A 2 -4.836 4.428 9.235 1.00 0.00 N ATOM 26 CA LYS A 2 -3.591 5.150 8.852 1.00 0.00 C ATOM 27 C LYS A 2 -2.498 4.133 8.514 1.00 0.00 C ATOM 28 O LYS A 2 -1.867 3.570 9.387 1.00 0.00 O ATOM 29 CB LYS A 2 -3.145 6.042 10.021 1.00 0.00 C ATOM 30 CG LYS A 2 -1.656 6.385 9.897 1.00 0.00 C ATOM 31 CD LYS A 2 -1.195 7.125 11.154 1.00 0.00 C ATOM 32 CE LYS A 2 -0.394 8.363 10.752 1.00 0.00 C ATOM 33 NZ LYS A 2 -0.693 9.477 11.697 1.00 0.00 N ATOM 0 H LYS A 2 -4.710 3.671 9.907 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.776 5.774 7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.735 6.958 10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.329 5.532 10.966 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.072 5.474 9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.487 7.004 9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.057 7.416 11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.583 6.468 11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.673 8.139 10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.647 8.658 9.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.148 10.320 11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.709 9.696 11.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.431 9.193 12.662 1.00 0.00 H new ATOM 47 N ALA A 3 -2.266 3.903 7.252 1.00 0.00 N ATOM 48 CA ALA A 3 -1.211 2.937 6.851 1.00 0.00 C ATOM 49 C ALA A 3 0.105 3.695 6.681 1.00 0.00 C ATOM 50 O ALA A 3 0.128 4.831 6.245 1.00 0.00 O ATOM 51 CB ALA A 3 -1.597 2.276 5.527 1.00 0.00 C ATOM 0 H ALA A 3 -2.765 4.345 6.480 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.102 2.166 7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.822 1.568 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.544 1.749 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.701 3.039 4.756 1.00 0.00 H new ATOM 57 N VAL A 4 1.202 3.082 7.025 1.00 0.00 N ATOM 58 CA VAL A 4 2.508 3.776 6.885 1.00 0.00 C ATOM 59 C VAL A 4 3.514 2.838 6.225 1.00 0.00 C ATOM 60 O VAL A 4 3.768 1.746 6.694 1.00 0.00 O ATOM 61 CB VAL A 4 3.022 4.187 8.265 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.395 4.844 8.126 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.044 5.182 8.896 1.00 0.00 C ATOM 0 H VAL A 4 1.249 2.133 7.396 1.00 0.00 H new ATOM 0 HA VAL A 4 2.381 4.665 6.268 1.00 0.00 H new ATOM 0 HB VAL A 4 3.105 3.304 8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.760 5.136 9.111 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.092 4.138 7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.313 5.727 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.409 5.476 9.880 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.962 6.064 8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.064 4.715 8.997 1.00 0.00 H new ATOM 73 N ILE A 5 4.086 3.259 5.137 1.00 0.00 N ATOM 74 CA ILE A 5 5.076 2.408 4.431 1.00 0.00 C ATOM 75 C ILE A 5 6.479 2.829 4.850 1.00 0.00 C ATOM 76 O ILE A 5 6.968 3.875 4.472 1.00 0.00 O ATOM 77 CB ILE A 5 4.906 2.594 2.924 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.404 2.561 2.579 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.659 1.488 2.177 1.00 0.00 C ATOM 80 CD1 ILE A 5 2.925 1.124 2.359 1.00 0.00 C ATOM 0 H ILE A 5 3.908 4.165 4.703 1.00 0.00 H new ATOM 0 HA ILE A 5 4.922 1.359 4.685 1.00 0.00 H new ATOM 0 HB ILE A 5 5.319 3.555 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.832 3.020 3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.220 3.151 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.535 1.625 1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.718 1.535 2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.260 0.516 2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.862 1.128 2.117 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.483 0.676 1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.088 0.543 3.267 1.00 0.00 H new ATOM 92 N ASN A 6 7.131 2.020 5.632 1.00 0.00 N ATOM 93 CA ASN A 6 8.500 2.366 6.083 1.00 0.00 C ATOM 94 C ASN A 6 9.494 1.471 5.353 1.00 0.00 C ATOM 95 O ASN A 6 9.822 0.395 5.806 1.00 0.00 O ATOM 96 CB ASN A 6 8.617 2.137 7.593 1.00 0.00 C ATOM 97 CG ASN A 6 7.249 2.320 8.255 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.395 3.007 7.733 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.004 1.728 9.393 1.00 0.00 N ATOM 0 H ASN A 6 6.772 1.131 5.979 1.00 0.00 H new ATOM 0 HA ASN A 6 8.710 3.413 5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.994 1.133 7.789 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.335 2.837 8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.096 1.843 9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.721 1.151 9.832 1.00 0.00 H new ATOM 106 N GLY A 7 9.974 1.904 4.223 1.00 0.00 N ATOM 107 CA GLY A 7 10.941 1.072 3.463 1.00 0.00 C ATOM 108 C GLY A 7 12.241 0.975 4.256 1.00 0.00 C ATOM 109 O GLY A 7 13.115 0.193 3.941 1.00 0.00 O ATOM 0 H GLY A 7 9.738 2.799 3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.529 0.077 3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.129 1.512 2.484 1.00 0.00 H new ATOM 113 N GLU A 8 12.373 1.763 5.287 1.00 0.00 N ATOM 114 CA GLU A 8 13.613 1.710 6.101 1.00 0.00 C ATOM 115 C GLU A 8 13.684 0.360 6.812 1.00 0.00 C ATOM 116 O GLU A 8 14.724 -0.064 7.273 1.00 0.00 O ATOM 117 CB GLU A 8 13.602 2.838 7.134 1.00 0.00 C ATOM 118 CG GLU A 8 15.031 3.109 7.609 1.00 0.00 C ATOM 119 CD GLU A 8 15.725 4.056 6.628 1.00 0.00 C ATOM 120 OE1 GLU A 8 16.296 3.567 5.668 1.00 0.00 O ATOM 121 OE2 GLU A 8 15.674 5.254 6.855 1.00 0.00 O ATOM 0 H GLU A 8 11.676 2.439 5.598 1.00 0.00 H new ATOM 0 HA GLU A 8 14.482 1.831 5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.175 3.741 6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.972 2.564 7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.017 3.548 8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.585 2.173 7.681 1.00 0.00 H new ATOM 128 N GLN A 9 12.575 -0.315 6.895 1.00 0.00 N ATOM 129 CA GLN A 9 12.549 -1.644 7.565 1.00 0.00 C ATOM 130 C GLN A 9 12.131 -2.708 6.555 1.00 0.00 C ATOM 131 O GLN A 9 12.407 -3.880 6.715 1.00 0.00 O ATOM 132 CB GLN A 9 11.551 -1.614 8.724 1.00 0.00 C ATOM 133 CG GLN A 9 11.563 -2.965 9.443 1.00 0.00 C ATOM 134 CD GLN A 9 10.386 -3.034 10.419 1.00 0.00 C ATOM 135 OE1 GLN A 9 10.572 -2.983 11.618 1.00 0.00 O ATOM 136 NE2 GLN A 9 9.173 -3.150 9.952 1.00 0.00 N ATOM 0 H GLN A 9 11.678 -0.002 6.525 1.00 0.00 H new ATOM 0 HA GLN A 9 13.541 -1.878 7.952 1.00 0.00 H new ATOM 0 HB2 GLN A 9 11.810 -0.817 9.421 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.550 -1.398 8.351 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.496 -3.776 8.718 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.503 -3.095 9.980 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.016 -3.193 8.945 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.382 -3.198 10.594 1.00 0.00 H new ATOM 145 N ILE A 10 11.476 -2.302 5.507 1.00 0.00 N ATOM 146 CA ILE A 10 11.046 -3.281 4.473 1.00 0.00 C ATOM 147 C ILE A 10 12.279 -3.765 3.712 1.00 0.00 C ATOM 148 O ILE A 10 12.877 -3.037 2.946 1.00 0.00 O ATOM 149 CB ILE A 10 10.077 -2.613 3.495 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.878 -2.056 4.267 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.592 -3.640 2.468 1.00 0.00 C ATOM 152 CD1 ILE A 10 8.025 -3.209 4.801 1.00 0.00 C ATOM 0 H ILE A 10 11.219 -1.333 5.321 1.00 0.00 H new ATOM 0 HA ILE A 10 10.545 -4.123 4.951 1.00 0.00 H new ATOM 0 HB ILE A 10 10.587 -1.800 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.223 -1.434 5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.279 -1.419 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.902 -3.162 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.446 -4.035 1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.082 -4.455 2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.173 -2.808 5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.668 -3.814 3.967 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.626 -3.828 5.467 1.00 0.00 H new ATOM 164 N ARG A 11 12.657 -4.992 3.914 1.00 0.00 N ATOM 165 CA ARG A 11 13.852 -5.532 3.197 1.00 0.00 C ATOM 166 C ARG A 11 13.451 -5.818 1.758 1.00 0.00 C ATOM 167 O ARG A 11 14.152 -5.493 0.820 1.00 0.00 O ATOM 168 CB ARG A 11 14.320 -6.839 3.848 1.00 0.00 C ATOM 169 CG ARG A 11 13.851 -6.895 5.299 1.00 0.00 C ATOM 170 CD ARG A 11 14.609 -7.995 6.044 1.00 0.00 C ATOM 171 NE ARG A 11 16.058 -7.648 6.103 1.00 0.00 N ATOM 172 CZ ARG A 11 16.468 -6.693 6.892 1.00 0.00 C ATOM 173 NH1 ARG A 11 16.321 -5.446 6.538 1.00 0.00 N ATOM 174 NH2 ARG A 11 17.028 -6.986 8.033 1.00 0.00 N ATOM 0 H ARG A 11 12.194 -5.648 4.543 1.00 0.00 H new ATOM 0 HA ARG A 11 14.663 -4.805 3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.925 -7.692 3.296 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.407 -6.908 3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.019 -5.933 5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.779 -7.089 5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.210 -8.108 7.052 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.473 -8.951 5.539 1.00 0.00 H new ATOM 0 HE ARG A 11 16.728 -8.157 5.527 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.886 -5.217 5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.642 -4.700 7.155 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.145 -7.961 8.308 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.349 -6.240 8.650 1.00 0.00 H new ATOM 188 N SER A 12 12.317 -6.429 1.585 1.00 0.00 N ATOM 189 CA SER A 12 11.838 -6.750 0.212 1.00 0.00 C ATOM 190 C SER A 12 10.327 -6.533 0.146 1.00 0.00 C ATOM 191 O SER A 12 9.685 -6.269 1.144 1.00 0.00 O ATOM 192 CB SER A 12 12.159 -8.209 -0.112 1.00 0.00 C ATOM 193 OG SER A 12 11.302 -9.057 0.638 1.00 0.00 O ATOM 0 H SER A 12 11.696 -6.723 2.339 1.00 0.00 H new ATOM 0 HA SER A 12 12.334 -6.103 -0.511 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.029 -8.393 -1.178 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.201 -8.425 0.124 1.00 0.00 H new ATOM 0 HG SER A 12 11.606 -9.985 0.556 1.00 0.00 H new ATOM 199 N ILE A 13 9.750 -6.641 -1.018 1.00 0.00 N ATOM 200 CA ILE A 13 8.280 -6.440 -1.135 1.00 0.00 C ATOM 201 C ILE A 13 7.564 -7.394 -0.176 1.00 0.00 C ATOM 202 O ILE A 13 6.416 -7.199 0.167 1.00 0.00 O ATOM 203 CB ILE A 13 7.839 -6.715 -2.577 1.00 0.00 C ATOM 204 CG1 ILE A 13 6.443 -6.129 -2.807 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.805 -8.223 -2.829 1.00 0.00 C ATOM 206 CD1 ILE A 13 6.471 -4.622 -2.545 1.00 0.00 C ATOM 0 H ILE A 13 10.231 -6.859 -1.890 1.00 0.00 H new ATOM 0 HA ILE A 13 8.025 -5.412 -0.877 1.00 0.00 H new ATOM 0 HB ILE A 13 8.547 -6.250 -3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.119 -6.325 -3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.722 -6.610 -2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.491 -8.413 -3.855 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.799 -8.641 -2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.101 -8.691 -2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.477 -4.206 -2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.776 -4.437 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.180 -4.148 -3.224 1.00 0.00 H new ATOM 218 N SER A 14 8.238 -8.423 0.265 1.00 0.00 N ATOM 219 CA SER A 14 7.600 -9.384 1.206 1.00 0.00 C ATOM 220 C SER A 14 7.196 -8.647 2.485 1.00 0.00 C ATOM 221 O SER A 14 6.115 -8.835 3.007 1.00 0.00 O ATOM 222 CB SER A 14 8.590 -10.497 1.550 1.00 0.00 C ATOM 223 OG SER A 14 8.096 -11.735 1.057 1.00 0.00 O ATOM 0 H SER A 14 9.203 -8.638 0.013 1.00 0.00 H new ATOM 0 HA SER A 14 6.716 -9.818 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.564 -10.281 1.112 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.731 -10.553 2.629 1.00 0.00 H new ATOM 0 HG SER A 14 8.730 -12.450 1.275 1.00 0.00 H new ATOM 229 N ASP A 15 8.055 -7.804 2.991 1.00 0.00 N ATOM 230 CA ASP A 15 7.721 -7.052 4.230 1.00 0.00 C ATOM 231 C ASP A 15 6.708 -5.960 3.889 1.00 0.00 C ATOM 232 O ASP A 15 5.950 -5.501 4.727 1.00 0.00 O ATOM 233 CB ASP A 15 9.002 -6.432 4.795 1.00 0.00 C ATOM 234 CG ASP A 15 9.428 -7.197 6.050 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.152 -8.383 6.120 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.023 -6.582 6.920 1.00 0.00 O ATOM 0 H ASP A 15 8.975 -7.605 2.598 1.00 0.00 H new ATOM 0 HA ASP A 15 7.289 -7.719 4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.795 -6.466 4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.835 -5.382 5.035 1.00 0.00 H new ATOM 241 N LEU A 16 6.680 -5.561 2.655 1.00 0.00 N ATOM 242 CA LEU A 16 5.714 -4.517 2.224 1.00 0.00 C ATOM 243 C LEU A 16 4.300 -5.070 2.389 1.00 0.00 C ATOM 244 O LEU A 16 3.461 -4.478 3.034 1.00 0.00 O ATOM 245 CB LEU A 16 5.964 -4.173 0.752 1.00 0.00 C ATOM 246 CG LEU A 16 5.201 -2.900 0.324 1.00 0.00 C ATOM 247 CD1 LEU A 16 4.663 -2.119 1.531 1.00 0.00 C ATOM 248 CD2 LEU A 16 6.158 -2.001 -0.450 1.00 0.00 C ATOM 0 H LEU A 16 7.290 -5.915 1.918 1.00 0.00 H new ATOM 0 HA LEU A 16 5.835 -3.617 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.032 -4.029 0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.655 -5.010 0.125 1.00 0.00 H new ATOM 0 HG LEU A 16 4.351 -3.202 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.134 -1.232 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.979 -2.751 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.494 -1.819 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.636 -1.096 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.001 -1.733 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.522 -2.530 -1.331 1.00 0.00 H new ATOM 260 N HIS A 17 4.041 -6.214 1.821 1.00 0.00 N ATOM 261 CA HIS A 17 2.690 -6.821 1.947 1.00 0.00 C ATOM 262 C HIS A 17 2.344 -6.962 3.424 1.00 0.00 C ATOM 263 O HIS A 17 1.193 -7.036 3.804 1.00 0.00 O ATOM 264 CB HIS A 17 2.700 -8.203 1.295 1.00 0.00 C ATOM 265 CG HIS A 17 2.980 -8.077 -0.178 1.00 0.00 C ATOM 266 ND1 HIS A 17 2.411 -8.931 -1.110 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.777 -7.217 -0.896 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.869 -8.573 -2.323 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.704 -7.533 -2.250 1.00 0.00 N ATOM 0 H HIS A 17 4.710 -6.756 1.273 1.00 0.00 H new ATOM 0 HA HIS A 17 1.951 -6.189 1.455 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.458 -8.830 1.765 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.739 -8.694 1.450 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.762 -9.693 -0.912 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.369 -6.418 -0.474 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.595 -9.066 -3.244 1.00 0.00 H new ATOM 277 N GLN A 18 3.339 -6.997 4.258 1.00 0.00 N ATOM 278 CA GLN A 18 3.087 -7.130 5.719 1.00 0.00 C ATOM 279 C GLN A 18 2.730 -5.767 6.294 1.00 0.00 C ATOM 280 O GLN A 18 1.933 -5.648 7.203 1.00 0.00 O ATOM 281 CB GLN A 18 4.339 -7.671 6.412 1.00 0.00 C ATOM 282 CG GLN A 18 4.687 -9.046 5.840 1.00 0.00 C ATOM 283 CD GLN A 18 5.540 -9.817 6.850 1.00 0.00 C ATOM 284 OE1 GLN A 18 5.059 -10.209 7.895 1.00 0.00 O ATOM 285 NE2 GLN A 18 6.794 -10.055 6.579 1.00 0.00 N ATOM 0 H GLN A 18 4.322 -6.939 3.992 1.00 0.00 H new ATOM 0 HA GLN A 18 2.261 -7.822 5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.173 -6.984 6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.169 -7.745 7.486 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.775 -9.601 5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.228 -8.935 4.900 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.198 -9.726 5.702 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.371 -10.570 7.244 1.00 0.00 H new ATOM 294 N THR A 19 3.318 -4.738 5.768 1.00 0.00 N ATOM 295 CA THR A 19 3.021 -3.368 6.276 1.00 0.00 C ATOM 296 C THR A 19 1.610 -2.965 5.861 1.00 0.00 C ATOM 297 O THR A 19 0.872 -2.362 6.616 1.00 0.00 O ATOM 298 CB THR A 19 4.040 -2.377 5.703 1.00 0.00 C ATOM 299 OG1 THR A 19 5.284 -2.543 6.368 1.00 0.00 O ATOM 300 CG2 THR A 19 3.542 -0.944 5.904 1.00 0.00 C ATOM 0 H THR A 19 3.994 -4.781 5.006 1.00 0.00 H new ATOM 0 HA THR A 19 3.088 -3.359 7.364 1.00 0.00 H new ATOM 0 HB THR A 19 4.165 -2.566 4.637 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.762 -1.688 6.386 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.271 -0.245 5.495 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.588 -0.815 5.392 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.412 -0.750 6.969 1.00 0.00 H new ATOM 308 N LEU A 20 1.225 -3.320 4.679 1.00 0.00 N ATOM 309 CA LEU A 20 -0.151 -2.987 4.214 1.00 0.00 C ATOM 310 C LEU A 20 -1.099 -4.000 4.829 1.00 0.00 C ATOM 311 O LEU A 20 -2.214 -3.697 5.196 1.00 0.00 O ATOM 312 CB LEU A 20 -0.239 -3.074 2.692 1.00 0.00 C ATOM 313 CG LEU A 20 1.097 -2.671 2.085 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.993 -2.665 0.559 1.00 0.00 C ATOM 315 CD2 LEU A 20 1.480 -1.273 2.578 1.00 0.00 C ATOM 0 H LEU A 20 1.800 -3.828 4.007 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.409 -1.971 4.513 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.497 -4.089 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.030 -2.420 2.324 1.00 0.00 H new ATOM 0 HG LEU A 20 1.861 -3.387 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.952 -2.376 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.725 -3.662 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.228 -1.953 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.437 -0.984 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.714 -0.558 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.562 -1.280 3.665 1.00 0.00 H new ATOM 327 N LYS A 21 -0.638 -5.209 4.959 1.00 0.00 N ATOM 328 CA LYS A 21 -1.483 -6.265 5.573 1.00 0.00 C ATOM 329 C LYS A 21 -1.594 -5.976 7.068 1.00 0.00 C ATOM 330 O LYS A 21 -2.494 -6.440 7.741 1.00 0.00 O ATOM 331 CB LYS A 21 -0.821 -7.627 5.363 1.00 0.00 C ATOM 332 CG LYS A 21 -1.567 -8.690 6.169 1.00 0.00 C ATOM 333 CD LYS A 21 -1.762 -9.939 5.308 1.00 0.00 C ATOM 334 CE LYS A 21 -1.670 -11.187 6.188 1.00 0.00 C ATOM 335 NZ LYS A 21 -0.340 -11.832 6.000 1.00 0.00 N ATOM 0 H LYS A 21 0.291 -5.512 4.666 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.473 -6.275 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.829 -7.887 4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.223 -7.587 5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.005 -8.940 7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.534 -8.304 6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.731 -9.903 4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.004 -9.976 4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.810 -10.918 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.465 -11.887 5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.278 -12.680 6.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.223 -12.103 5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.411 -11.164 6.268 1.00 0.00 H new ATOM 349 N LYS A 22 -0.676 -5.208 7.591 1.00 0.00 N ATOM 350 CA LYS A 22 -0.708 -4.876 9.041 1.00 0.00 C ATOM 351 C LYS A 22 -1.591 -3.642 9.267 1.00 0.00 C ATOM 352 O LYS A 22 -2.339 -3.573 10.222 1.00 0.00 O ATOM 353 CB LYS A 22 0.727 -4.600 9.519 1.00 0.00 C ATOM 354 CG LYS A 22 0.713 -3.670 10.736 1.00 0.00 C ATOM 355 CD LYS A 22 2.149 -3.403 11.193 1.00 0.00 C ATOM 356 CE LYS A 22 2.474 -1.919 11.014 1.00 0.00 C ATOM 357 NZ LYS A 22 1.760 -1.126 12.055 1.00 0.00 N ATOM 0 H LYS A 22 0.098 -4.795 7.071 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.124 -5.710 9.607 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.219 -5.538 9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.305 -4.147 8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.220 -2.731 10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.141 -4.123 11.546 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.268 -3.689 12.238 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.845 -4.011 10.615 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.549 -1.759 11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.175 -1.587 10.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.071 -0.135 12.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.735 -1.175 11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.975 -1.514 12.996 1.00 0.00 H new ATOM 371 N GLU A 23 -1.508 -2.663 8.406 1.00 0.00 N ATOM 372 CA GLU A 23 -2.342 -1.442 8.595 1.00 0.00 C ATOM 373 C GLU A 23 -3.768 -1.724 8.145 1.00 0.00 C ATOM 374 O GLU A 23 -4.720 -1.532 8.875 1.00 0.00 O ATOM 375 CB GLU A 23 -1.762 -0.292 7.770 1.00 0.00 C ATOM 376 CG GLU A 23 -0.359 0.043 8.278 1.00 0.00 C ATOM 377 CD GLU A 23 -0.464 0.907 9.535 1.00 0.00 C ATOM 378 OE1 GLU A 23 -1.023 0.433 10.510 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.017 2.028 9.503 1.00 0.00 O ATOM 0 H GLU A 23 -0.903 -2.656 7.585 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.344 -1.165 9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.722 -0.570 6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.406 0.584 7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.188 -0.874 8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.202 0.571 7.507 1.00 0.00 H new ATOM 386 N LEU A 24 -3.911 -2.178 6.946 1.00 0.00 N ATOM 387 CA LEU A 24 -5.262 -2.487 6.408 1.00 0.00 C ATOM 388 C LEU A 24 -5.782 -3.773 7.049 1.00 0.00 C ATOM 389 O LEU A 24 -6.970 -4.022 7.088 1.00 0.00 O ATOM 390 CB LEU A 24 -5.165 -2.666 4.894 1.00 0.00 C ATOM 391 CG LEU A 24 -4.309 -1.542 4.309 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.778 -1.959 2.941 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.156 -0.279 4.175 1.00 0.00 C ATOM 0 H LEU A 24 -3.141 -2.353 6.300 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.948 -1.671 6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.725 -3.635 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.160 -2.651 4.449 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.466 -1.343 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.168 -1.156 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.171 -2.858 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.615 -2.161 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.548 0.524 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.000 -0.476 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.525 0.017 5.157 1.00 0.00 H new ATOM 405 N ALA A 25 -4.902 -4.594 7.554 1.00 0.00 N ATOM 406 CA ALA A 25 -5.351 -5.862 8.192 1.00 0.00 C ATOM 407 C ALA A 25 -5.905 -6.795 7.117 1.00 0.00 C ATOM 408 O ALA A 25 -7.015 -7.281 7.210 1.00 0.00 O ATOM 409 CB ALA A 25 -6.443 -5.550 9.215 1.00 0.00 C ATOM 0 H ALA A 25 -3.894 -4.441 7.552 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.511 -6.344 8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.776 -6.475 9.686 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.047 -4.878 9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.286 -5.074 8.714 1.00 0.00 H new ATOM 415 N LEU A 26 -5.138 -7.044 6.092 1.00 0.00 N ATOM 416 CA LEU A 26 -5.609 -7.940 4.998 1.00 0.00 C ATOM 417 C LEU A 26 -5.430 -9.404 5.424 1.00 0.00 C ATOM 418 O LEU A 26 -4.751 -9.685 6.391 1.00 0.00 O ATOM 419 CB LEU A 26 -4.793 -7.647 3.737 1.00 0.00 C ATOM 420 CG LEU A 26 -4.687 -6.132 3.550 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.769 -5.827 2.367 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.078 -5.556 3.275 1.00 0.00 C ATOM 0 H LEU A 26 -4.200 -6.663 5.964 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.665 -7.764 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.799 -8.086 3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.268 -8.101 2.868 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.277 -5.682 4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.694 -4.748 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.778 -6.239 2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.179 -6.276 1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.005 -4.477 3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.486 -6.007 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.735 -5.774 4.117 1.00 0.00 H new ATOM 434 N PRO A 27 -6.062 -10.293 4.695 1.00 0.00 N ATOM 435 CA PRO A 27 -6.010 -11.740 4.982 1.00 0.00 C ATOM 436 C PRO A 27 -4.684 -12.352 4.519 1.00 0.00 C ATOM 437 O PRO A 27 -3.723 -11.660 4.251 1.00 0.00 O ATOM 438 CB PRO A 27 -7.183 -12.306 4.179 1.00 0.00 C ATOM 439 CG PRO A 27 -7.478 -11.282 3.059 1.00 0.00 C ATOM 440 CD PRO A 27 -6.883 -9.940 3.519 1.00 0.00 C ATOM 0 HA PRO A 27 -6.076 -11.960 6.048 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.932 -13.280 3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.057 -12.449 4.815 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.032 -11.600 2.117 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.551 -11.192 2.890 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.280 -9.482 2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.664 -9.226 3.778 1.00 0.00 H new ATOM 448 N GLU A 28 -4.630 -13.655 4.442 1.00 0.00 N ATOM 449 CA GLU A 28 -3.373 -14.336 4.020 1.00 0.00 C ATOM 450 C GLU A 28 -3.208 -14.266 2.498 1.00 0.00 C ATOM 451 O GLU A 28 -2.182 -13.847 1.999 1.00 0.00 O ATOM 452 CB GLU A 28 -3.426 -15.802 4.453 1.00 0.00 C ATOM 453 CG GLU A 28 -2.239 -16.558 3.851 1.00 0.00 C ATOM 454 CD GLU A 28 -0.948 -16.110 4.537 1.00 0.00 C ATOM 455 OE1 GLU A 28 -0.701 -16.559 5.645 1.00 0.00 O ATOM 456 OE2 GLU A 28 -0.225 -15.325 3.944 1.00 0.00 O ATOM 0 H GLU A 28 -5.408 -14.280 4.655 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.526 -13.835 4.489 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.401 -15.872 5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.362 -16.255 4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.377 -17.632 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.179 -16.368 2.779 1.00 0.00 H new ATOM 463 N TYR A 29 -4.198 -14.682 1.753 1.00 0.00 N ATOM 464 CA TYR A 29 -4.071 -14.643 0.266 1.00 0.00 C ATOM 465 C TYR A 29 -3.867 -13.201 -0.201 1.00 0.00 C ATOM 466 O TYR A 29 -3.525 -12.955 -1.340 1.00 0.00 O ATOM 467 CB TYR A 29 -5.328 -15.242 -0.382 1.00 0.00 C ATOM 468 CG TYR A 29 -6.413 -14.193 -0.505 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.111 -13.775 0.632 1.00 0.00 C ATOM 470 CD2 TYR A 29 -6.723 -13.649 -1.758 1.00 0.00 C ATOM 471 CE1 TYR A 29 -8.120 -12.810 0.517 1.00 0.00 C ATOM 472 CE2 TYR A 29 -7.733 -12.687 -1.873 1.00 0.00 C ATOM 473 CZ TYR A 29 -8.431 -12.267 -0.735 1.00 0.00 C ATOM 474 OH TYR A 29 -9.426 -11.318 -0.848 1.00 0.00 O ATOM 0 H TYR A 29 -5.083 -15.045 2.106 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.206 -15.234 -0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.083 -15.637 -1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.689 -16.079 0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.873 -14.196 1.598 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.183 -13.972 -2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.658 -12.485 1.395 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.974 -12.269 -2.839 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.513 -11.045 -1.785 1.00 0.00 H new ATOM 484 N TYR A 30 -4.083 -12.257 0.675 1.00 0.00 N ATOM 485 CA TYR A 30 -3.910 -10.819 0.307 1.00 0.00 C ATOM 486 C TYR A 30 -2.749 -10.668 -0.682 1.00 0.00 C ATOM 487 O TYR A 30 -1.760 -11.370 -0.615 1.00 0.00 O ATOM 488 CB TYR A 30 -3.619 -10.004 1.580 1.00 0.00 C ATOM 489 CG TYR A 30 -2.858 -8.740 1.233 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.360 -7.862 0.264 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.647 -8.456 1.877 1.00 0.00 C ATOM 492 CE1 TYR A 30 -2.651 -6.699 -0.060 1.00 0.00 C ATOM 493 CE2 TYR A 30 -0.938 -7.293 1.552 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.439 -6.414 0.584 1.00 0.00 C ATOM 495 OH TYR A 30 -0.740 -5.268 0.264 1.00 0.00 O ATOM 0 H TYR A 30 -4.375 -12.421 1.639 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.822 -10.452 -0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.554 -9.748 2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.039 -10.605 2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.293 -8.082 -0.233 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.260 -9.134 2.624 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.038 -6.021 -0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.004 -7.074 2.048 1.00 0.00 H new ATOM 0 HH TYR A 30 0.199 -5.494 0.097 1.00 0.00 H new ATOM 505 N GLY A 31 -2.867 -9.745 -1.594 1.00 0.00 N ATOM 506 CA GLY A 31 -1.785 -9.523 -2.587 1.00 0.00 C ATOM 507 C GLY A 31 -1.571 -8.020 -2.754 1.00 0.00 C ATOM 508 O GLY A 31 -2.508 -7.267 -2.925 1.00 0.00 O ATOM 0 H GLY A 31 -3.675 -9.130 -1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.864 -10.001 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.051 -9.975 -3.543 1.00 0.00 H new ATOM 512 N GLU A 32 -0.348 -7.573 -2.700 1.00 0.00 N ATOM 513 CA GLU A 32 -0.086 -6.115 -2.853 1.00 0.00 C ATOM 514 C GLU A 32 -0.255 -5.713 -4.323 1.00 0.00 C ATOM 515 O GLU A 32 -0.065 -4.569 -4.686 1.00 0.00 O ATOM 516 CB GLU A 32 1.338 -5.798 -2.349 1.00 0.00 C ATOM 517 CG GLU A 32 2.307 -5.555 -3.518 1.00 0.00 C ATOM 518 CD GLU A 32 2.347 -6.788 -4.426 1.00 0.00 C ATOM 519 OE1 GLU A 32 1.470 -7.625 -4.297 1.00 0.00 O ATOM 520 OE2 GLU A 32 3.257 -6.872 -5.234 1.00 0.00 O ATOM 0 H GLU A 32 0.479 -8.152 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.799 -5.542 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.311 -4.917 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.702 -6.625 -1.739 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.990 -4.682 -4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.305 -5.341 -3.136 1.00 0.00 H new ATOM 527 N ASN A 33 -0.608 -6.640 -5.173 1.00 0.00 N ATOM 528 CA ASN A 33 -0.781 -6.288 -6.609 1.00 0.00 C ATOM 529 C ASN A 33 -1.957 -5.331 -6.755 1.00 0.00 C ATOM 530 O ASN A 33 -2.567 -4.928 -5.785 1.00 0.00 O ATOM 531 CB ASN A 33 -1.046 -7.547 -7.438 1.00 0.00 C ATOM 532 CG ASN A 33 -1.910 -8.524 -6.637 1.00 0.00 C ATOM 533 OD1 ASN A 33 -2.594 -8.132 -5.712 1.00 0.00 O ATOM 534 ND2 ASN A 33 -1.909 -9.791 -6.957 1.00 0.00 N ATOM 0 H ASN A 33 -0.782 -7.617 -4.937 1.00 0.00 H new ATOM 0 HA ASN A 33 0.132 -5.814 -6.969 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.548 -7.282 -8.368 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.102 -8.020 -7.709 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.482 -10.450 -6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.335 -10.121 -7.733 1.00 0.00 H new ATOM 541 N LEU A 34 -2.280 -4.959 -7.959 1.00 0.00 N ATOM 542 CA LEU A 34 -3.417 -4.023 -8.153 1.00 0.00 C ATOM 543 C LEU A 34 -4.731 -4.790 -8.085 1.00 0.00 C ATOM 544 O LEU A 34 -5.783 -4.215 -7.926 1.00 0.00 O ATOM 545 CB LEU A 34 -3.305 -3.330 -9.511 1.00 0.00 C ATOM 546 CG LEU A 34 -1.877 -2.837 -9.712 1.00 0.00 C ATOM 547 CD1 LEU A 34 -1.687 -2.394 -11.164 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.630 -1.655 -8.780 1.00 0.00 C ATOM 0 H LEU A 34 -1.809 -5.260 -8.812 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.390 -3.271 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.578 -4.022 -10.308 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.001 -2.493 -9.563 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.173 -3.639 -9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.665 -2.042 -11.306 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.876 -3.237 -11.829 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.384 -1.588 -11.393 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.611 -1.293 -8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.333 -0.855 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.769 -1.971 -7.746 1.00 0.00 H new ATOM 560 N ASP A 35 -4.683 -6.082 -8.213 1.00 0.00 N ATOM 561 CA ASP A 35 -5.942 -6.873 -8.158 1.00 0.00 C ATOM 562 C ASP A 35 -6.348 -7.133 -6.707 1.00 0.00 C ATOM 563 O ASP A 35 -7.446 -6.820 -6.299 1.00 0.00 O ATOM 564 CB ASP A 35 -5.780 -8.225 -8.856 1.00 0.00 C ATOM 565 CG ASP A 35 -4.304 -8.551 -9.104 1.00 0.00 C ATOM 566 OD1 ASP A 35 -3.704 -7.892 -9.937 1.00 0.00 O ATOM 567 OD2 ASP A 35 -3.800 -9.455 -8.458 1.00 0.00 O ATOM 0 H ASP A 35 -3.831 -6.625 -8.353 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.709 -6.290 -8.667 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.230 -9.008 -8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.316 -8.213 -9.805 1.00 0.00 H new ATOM 572 N ALA A 36 -5.482 -7.737 -5.935 1.00 0.00 N ATOM 573 CA ALA A 36 -5.830 -8.057 -4.520 1.00 0.00 C ATOM 574 C ALA A 36 -5.887 -6.792 -3.672 1.00 0.00 C ATOM 575 O ALA A 36 -6.810 -6.584 -2.911 1.00 0.00 O ATOM 576 CB ALA A 36 -4.785 -9.010 -3.938 1.00 0.00 C ATOM 0 H ALA A 36 -4.547 -8.023 -6.225 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.813 -8.528 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.041 -9.243 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.765 -9.930 -4.523 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.803 -8.538 -3.971 1.00 0.00 H new ATOM 582 N LEU A 37 -4.911 -5.954 -3.788 1.00 0.00 N ATOM 583 CA LEU A 37 -4.907 -4.703 -2.979 1.00 0.00 C ATOM 584 C LEU A 37 -6.130 -3.872 -3.340 1.00 0.00 C ATOM 585 O LEU A 37 -6.933 -3.539 -2.503 1.00 0.00 O ATOM 586 CB LEU A 37 -3.659 -3.895 -3.277 1.00 0.00 C ATOM 587 CG LEU A 37 -3.606 -2.703 -2.322 1.00 0.00 C ATOM 588 CD1 LEU A 37 -2.454 -2.886 -1.335 1.00 0.00 C ATOM 589 CD2 LEU A 37 -3.395 -1.422 -3.126 1.00 0.00 C ATOM 0 H LEU A 37 -4.110 -6.074 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.925 -4.962 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.770 -4.515 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.670 -3.550 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.543 -2.636 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.419 -2.035 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.607 -3.801 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.514 -2.953 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.357 -0.569 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.458 -1.489 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.220 -1.292 -3.826 1.00 0.00 H new ATOM 601 N TRP A 38 -6.283 -3.542 -4.586 1.00 0.00 N ATOM 602 CA TRP A 38 -7.475 -2.754 -4.997 1.00 0.00 C ATOM 603 C TRP A 38 -8.703 -3.521 -4.537 1.00 0.00 C ATOM 604 O TRP A 38 -9.654 -2.969 -4.028 1.00 0.00 O ATOM 605 CB TRP A 38 -7.470 -2.636 -6.520 1.00 0.00 C ATOM 606 CG TRP A 38 -8.692 -1.942 -7.034 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.631 -2.565 -7.762 1.00 0.00 C ATOM 608 CD2 TRP A 38 -9.117 -0.540 -6.926 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.621 -1.661 -8.101 1.00 0.00 N ATOM 610 CE2 TRP A 38 -10.350 -0.401 -7.612 1.00 0.00 C ATOM 611 CE3 TRP A 38 -8.577 0.610 -6.312 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -11.015 0.824 -7.687 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -9.245 1.841 -6.389 1.00 0.00 C ATOM 614 CH2 TRP A 38 -10.460 1.948 -7.075 1.00 0.00 C ATOM 0 H TRP A 38 -5.637 -3.782 -5.338 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.471 -1.755 -4.561 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.582 -2.089 -6.838 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.406 -3.631 -6.960 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.616 -3.609 -8.040 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.450 -1.898 -8.646 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.641 0.542 -5.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.954 0.901 -8.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.818 2.713 -5.915 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -10.967 2.900 -7.131 1.00 0.00 H new ATOM 625 N ASP A 39 -8.669 -4.806 -4.696 1.00 0.00 N ATOM 626 CA ASP A 39 -9.814 -5.639 -4.251 1.00 0.00 C ATOM 627 C ASP A 39 -10.061 -5.391 -2.767 1.00 0.00 C ATOM 628 O ASP A 39 -11.178 -5.439 -2.290 1.00 0.00 O ATOM 629 CB ASP A 39 -9.487 -7.118 -4.464 1.00 0.00 C ATOM 630 CG ASP A 39 -10.136 -7.606 -5.761 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.101 -6.991 -6.184 1.00 0.00 O ATOM 632 OD2 ASP A 39 -9.657 -8.584 -6.308 1.00 0.00 O ATOM 0 H ASP A 39 -7.895 -5.320 -5.117 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.702 -5.377 -4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.407 -7.259 -4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.849 -7.706 -3.621 1.00 0.00 H new ATOM 637 N ALA A 40 -9.019 -5.128 -2.038 1.00 0.00 N ATOM 638 CA ALA A 40 -9.171 -4.875 -0.575 1.00 0.00 C ATOM 639 C ALA A 40 -9.580 -3.423 -0.337 1.00 0.00 C ATOM 640 O ALA A 40 -10.690 -3.146 0.068 1.00 0.00 O ATOM 641 CB ALA A 40 -7.853 -5.157 0.146 1.00 0.00 C ATOM 0 H ALA A 40 -8.063 -5.076 -2.389 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.943 -5.537 -0.184 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.974 -4.969 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.569 -6.198 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.075 -4.505 -0.251 1.00 0.00 H new ATOM 647 N LEU A 41 -8.682 -2.498 -0.577 1.00 0.00 N ATOM 648 CA LEU A 41 -9.008 -1.056 -0.357 1.00 0.00 C ATOM 649 C LEU A 41 -10.446 -0.787 -0.778 1.00 0.00 C ATOM 650 O LEU A 41 -11.235 -0.227 -0.043 1.00 0.00 O ATOM 651 CB LEU A 41 -8.075 -0.171 -1.190 1.00 0.00 C ATOM 652 CG LEU A 41 -6.731 -0.011 -0.477 1.00 0.00 C ATOM 653 CD1 LEU A 41 -5.634 0.229 -1.515 1.00 0.00 C ATOM 654 CD2 LEU A 41 -6.784 1.177 0.481 1.00 0.00 C ATOM 0 H LEU A 41 -7.737 -2.681 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.879 -0.826 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.923 -0.614 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.531 0.806 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.517 -0.918 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.675 0.344 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.586 -0.620 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.858 1.135 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.823 1.282 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.002 2.086 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.565 1.011 1.223 1.00 0.00 H new ATOM 666 N THR A 42 -10.779 -1.182 -1.962 1.00 0.00 N ATOM 667 CA THR A 42 -12.159 -0.959 -2.474 1.00 0.00 C ATOM 668 C THR A 42 -13.087 -2.072 -1.976 1.00 0.00 C ATOM 669 O THR A 42 -13.864 -2.624 -2.730 1.00 0.00 O ATOM 670 CB THR A 42 -12.141 -0.965 -4.006 1.00 0.00 C ATOM 671 OG1 THR A 42 -12.303 -2.297 -4.473 1.00 0.00 O ATOM 672 CG2 THR A 42 -10.808 -0.405 -4.512 1.00 0.00 C ATOM 0 H THR A 42 -10.151 -1.657 -2.611 1.00 0.00 H new ATOM 0 HA THR A 42 -12.523 0.003 -2.112 1.00 0.00 H new ATOM 0 HB THR A 42 -12.955 -0.344 -4.379 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.197 -2.621 -4.235 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.801 -0.412 -5.602 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.684 0.617 -4.155 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.990 -1.022 -4.140 1.00 0.00 H new ATOM 680 N GLY A 43 -13.025 -2.402 -0.713 1.00 0.00 N ATOM 681 CA GLY A 43 -13.917 -3.472 -0.187 1.00 0.00 C ATOM 682 C GLY A 43 -13.217 -4.247 0.933 1.00 0.00 C ATOM 683 O GLY A 43 -13.388 -5.443 1.067 1.00 0.00 O ATOM 0 H GLY A 43 -12.399 -1.979 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.841 -3.032 0.189 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.193 -4.153 -0.992 1.00 0.00 H new ATOM 687 N TRP A 44 -12.439 -3.585 1.748 1.00 0.00 N ATOM 688 CA TRP A 44 -11.751 -4.304 2.858 1.00 0.00 C ATOM 689 C TRP A 44 -11.143 -3.275 3.796 1.00 0.00 C ATOM 690 O TRP A 44 -11.147 -3.422 5.002 1.00 0.00 O ATOM 691 CB TRP A 44 -10.641 -5.194 2.300 1.00 0.00 C ATOM 692 CG TRP A 44 -9.929 -5.845 3.440 1.00 0.00 C ATOM 693 CD1 TRP A 44 -9.110 -5.209 4.309 1.00 0.00 C ATOM 694 CD2 TRP A 44 -9.966 -7.240 3.858 1.00 0.00 C ATOM 695 NE1 TRP A 44 -8.641 -6.125 5.233 1.00 0.00 N ATOM 696 CE2 TRP A 44 -9.140 -7.392 4.997 1.00 0.00 C ATOM 697 CE3 TRP A 44 -10.630 -8.377 3.363 1.00 0.00 C ATOM 698 CZ2 TRP A 44 -8.981 -8.629 5.623 1.00 0.00 C ATOM 699 CZ3 TRP A 44 -10.470 -9.623 3.991 1.00 0.00 C ATOM 700 CH2 TRP A 44 -9.647 -9.749 5.118 1.00 0.00 C ATOM 0 H TRP A 44 -12.251 -2.584 1.693 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.469 -4.928 3.390 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.061 -5.950 1.636 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -9.943 -4.601 1.708 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.863 -4.158 4.285 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.004 -5.894 5.996 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -11.267 -8.291 2.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -8.347 -8.720 6.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -10.985 -10.490 3.603 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -9.528 -10.710 5.596 1.00 0.00 H new ATOM 711 N VAL A 45 -10.618 -2.232 3.234 1.00 0.00 N ATOM 712 CA VAL A 45 -9.998 -1.165 4.048 1.00 0.00 C ATOM 713 C VAL A 45 -11.096 -0.300 4.678 1.00 0.00 C ATOM 714 O VAL A 45 -12.255 -0.397 4.326 1.00 0.00 O ATOM 715 CB VAL A 45 -9.132 -0.319 3.117 1.00 0.00 C ATOM 716 CG1 VAL A 45 -8.894 1.051 3.726 1.00 0.00 C ATOM 717 CG2 VAL A 45 -7.791 -1.019 2.889 1.00 0.00 C ATOM 0 H VAL A 45 -10.592 -2.072 2.227 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.391 -1.588 4.848 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.648 -0.198 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.275 1.646 3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.850 1.552 3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.386 0.940 4.684 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.173 -0.415 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.280 -1.146 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.963 -1.996 2.436 1.00 0.00 H new ATOM 727 N GLU A 46 -10.737 0.551 5.601 1.00 0.00 N ATOM 728 CA GLU A 46 -11.755 1.427 6.245 1.00 0.00 C ATOM 729 C GLU A 46 -11.310 2.886 6.133 1.00 0.00 C ATOM 730 O GLU A 46 -10.424 3.335 6.832 1.00 0.00 O ATOM 731 CB GLU A 46 -11.905 1.045 7.718 1.00 0.00 C ATOM 732 CG GLU A 46 -12.633 -0.297 7.827 1.00 0.00 C ATOM 733 CD GLU A 46 -12.179 -1.023 9.095 1.00 0.00 C ATOM 734 OE1 GLU A 46 -12.357 -0.469 10.168 1.00 0.00 O ATOM 735 OE2 GLU A 46 -11.662 -2.122 8.972 1.00 0.00 O ATOM 0 H GLU A 46 -9.782 0.677 5.936 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.715 1.300 5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.924 0.978 8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.462 1.817 8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.711 -0.137 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.423 -0.909 6.950 1.00 0.00 H new ATOM 742 N TYR A 47 -11.922 3.624 5.251 1.00 0.00 N ATOM 743 CA TYR A 47 -11.548 5.055 5.072 1.00 0.00 C ATOM 744 C TYR A 47 -12.235 5.894 6.159 1.00 0.00 C ATOM 745 O TYR A 47 -13.168 5.434 6.787 1.00 0.00 O ATOM 746 CB TYR A 47 -11.999 5.492 3.679 1.00 0.00 C ATOM 747 CG TYR A 47 -11.480 4.494 2.670 1.00 0.00 C ATOM 748 CD1 TYR A 47 -10.129 4.114 2.687 1.00 0.00 C ATOM 749 CD2 TYR A 47 -12.347 3.947 1.719 1.00 0.00 C ATOM 750 CE1 TYR A 47 -9.650 3.188 1.751 1.00 0.00 C ATOM 751 CE2 TYR A 47 -11.868 3.024 0.784 1.00 0.00 C ATOM 752 CZ TYR A 47 -10.519 2.647 0.801 1.00 0.00 C ATOM 753 OH TYR A 47 -10.046 1.745 -0.122 1.00 0.00 O ATOM 0 H TYR A 47 -12.671 3.295 4.642 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.471 5.194 5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.087 5.546 3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.621 6.489 3.454 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.459 4.535 3.422 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -13.387 4.238 1.707 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.611 2.893 1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.538 2.602 0.049 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.794 1.394 -0.650 1.00 0.00 H new ATOM 763 N PRO A 48 -11.736 7.089 6.379 1.00 0.00 N ATOM 764 CA PRO A 48 -10.601 7.658 5.621 1.00 0.00 C ATOM 765 C PRO A 48 -9.292 6.955 5.971 1.00 0.00 C ATOM 766 O PRO A 48 -8.962 6.756 7.123 1.00 0.00 O ATOM 767 CB PRO A 48 -10.581 9.130 6.047 1.00 0.00 C ATOM 768 CG PRO A 48 -11.326 9.201 7.397 1.00 0.00 C ATOM 769 CD PRO A 48 -12.253 7.972 7.443 1.00 0.00 C ATOM 0 HA PRO A 48 -10.710 7.536 4.543 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.558 9.491 6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.068 9.757 5.301 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -10.623 9.190 8.230 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.900 10.124 7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.219 7.484 8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.291 8.249 7.261 1.00 0.00 H new ATOM 777 N LEU A 49 -8.553 6.567 4.970 1.00 0.00 N ATOM 778 CA LEU A 49 -7.268 5.858 5.205 1.00 0.00 C ATOM 779 C LEU A 49 -6.103 6.825 4.972 1.00 0.00 C ATOM 780 O LEU A 49 -6.219 7.780 4.234 1.00 0.00 O ATOM 781 CB LEU A 49 -7.190 4.676 4.225 1.00 0.00 C ATOM 782 CG LEU A 49 -5.737 4.300 3.927 1.00 0.00 C ATOM 783 CD1 LEU A 49 -5.084 3.724 5.182 1.00 0.00 C ATOM 784 CD2 LEU A 49 -5.709 3.252 2.821 1.00 0.00 C ATOM 0 H LEU A 49 -8.789 6.713 3.988 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.210 5.491 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.712 3.816 4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.699 4.935 3.297 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.190 5.189 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.050 3.458 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.108 4.468 5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.628 2.835 5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.676 2.980 2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.257 2.367 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.174 3.659 1.923 1.00 0.00 H new ATOM 796 N VAL A 50 -4.981 6.582 5.594 1.00 0.00 N ATOM 797 CA VAL A 50 -3.806 7.479 5.402 1.00 0.00 C ATOM 798 C VAL A 50 -2.621 6.638 4.909 1.00 0.00 C ATOM 799 O VAL A 50 -1.929 6.017 5.688 1.00 0.00 O ATOM 800 CB VAL A 50 -3.476 8.169 6.741 1.00 0.00 C ATOM 801 CG1 VAL A 50 -1.960 8.327 6.924 1.00 0.00 C ATOM 802 CG2 VAL A 50 -4.119 9.553 6.758 1.00 0.00 C ATOM 0 H VAL A 50 -4.827 5.798 6.229 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.023 8.249 4.661 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.863 7.551 7.552 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.758 8.817 7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.488 7.345 6.913 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.557 8.932 6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.891 10.049 7.702 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.727 10.147 5.932 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.199 9.454 6.652 1.00 0.00 H new ATOM 812 N LEU A 51 -2.379 6.610 3.626 1.00 0.00 N ATOM 813 CA LEU A 51 -1.237 5.801 3.107 1.00 0.00 C ATOM 814 C LEU A 51 0.052 6.608 3.215 1.00 0.00 C ATOM 815 O LEU A 51 0.654 6.945 2.219 1.00 0.00 O ATOM 816 CB LEU A 51 -1.463 5.457 1.635 1.00 0.00 C ATOM 817 CG LEU A 51 -0.398 4.458 1.166 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.759 3.062 1.640 1.00 0.00 C ATOM 819 CD2 LEU A 51 -0.320 4.461 -0.357 1.00 0.00 C ATOM 0 H LEU A 51 -2.918 7.109 2.918 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.164 4.886 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.458 5.032 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.418 6.362 1.029 1.00 0.00 H new ATOM 0 HG LEU A 51 0.566 4.750 1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.001 2.356 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.810 3.049 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.727 2.777 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.438 3.749 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.287 4.177 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.055 5.459 -0.706 1.00 0.00 H new ATOM 831 N GLU A 52 0.488 6.913 4.405 1.00 0.00 N ATOM 832 CA GLU A 52 1.750 7.690 4.545 1.00 0.00 C ATOM 833 C GLU A 52 2.907 6.847 4.009 1.00 0.00 C ATOM 834 O GLU A 52 3.576 6.161 4.753 1.00 0.00 O ATOM 835 CB GLU A 52 1.993 8.001 6.023 1.00 0.00 C ATOM 836 CG GLU A 52 3.412 8.541 6.204 1.00 0.00 C ATOM 837 CD GLU A 52 3.548 9.168 7.592 1.00 0.00 C ATOM 838 OE1 GLU A 52 3.308 8.469 8.562 1.00 0.00 O ATOM 839 OE2 GLU A 52 3.890 10.337 7.661 1.00 0.00 O ATOM 0 H GLU A 52 0.029 6.660 5.280 1.00 0.00 H new ATOM 0 HA GLU A 52 1.677 8.623 3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.266 8.733 6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.856 7.101 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.137 7.735 6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.631 9.283 5.436 1.00 0.00 H new ATOM 846 N TRP A 53 3.154 6.883 2.724 1.00 0.00 N ATOM 847 CA TRP A 53 4.268 6.069 2.170 1.00 0.00 C ATOM 848 C TRP A 53 5.592 6.797 2.415 1.00 0.00 C ATOM 849 O TRP A 53 5.934 7.730 1.717 1.00 0.00 O ATOM 850 CB TRP A 53 4.073 5.855 0.670 1.00 0.00 C ATOM 851 CG TRP A 53 4.779 4.597 0.271 1.00 0.00 C ATOM 852 CD1 TRP A 53 6.108 4.373 0.398 1.00 0.00 C ATOM 853 CD2 TRP A 53 4.215 3.387 -0.306 1.00 0.00 C ATOM 854 NE1 TRP A 53 6.392 3.101 -0.063 1.00 0.00 N ATOM 855 CE2 TRP A 53 5.257 2.455 -0.508 1.00 0.00 C ATOM 856 CE3 TRP A 53 2.911 3.013 -0.666 1.00 0.00 C ATOM 857 CZ2 TRP A 53 5.012 1.196 -1.050 1.00 0.00 C ATOM 858 CZ3 TRP A 53 2.660 1.748 -1.214 1.00 0.00 C ATOM 859 CH2 TRP A 53 3.709 0.839 -1.406 1.00 0.00 C ATOM 0 H TRP A 53 2.635 7.437 2.043 1.00 0.00 H new ATOM 0 HA TRP A 53 4.281 5.098 2.664 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.011 5.784 0.433 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.468 6.704 0.112 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.828 5.073 0.794 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.326 2.691 -0.073 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.095 3.705 -0.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.825 0.499 -1.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.653 1.472 -1.490 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.511 -0.135 -1.828 1.00 0.00 H new ATOM 870 N ARG A 54 6.333 6.390 3.408 1.00 0.00 N ATOM 871 CA ARG A 54 7.626 7.073 3.702 1.00 0.00 C ATOM 872 C ARG A 54 8.623 6.828 2.566 1.00 0.00 C ATOM 873 O ARG A 54 9.027 5.711 2.315 1.00 0.00 O ATOM 874 CB ARG A 54 8.202 6.523 5.009 1.00 0.00 C ATOM 875 CG ARG A 54 7.114 6.518 6.085 1.00 0.00 C ATOM 876 CD ARG A 54 7.556 7.387 7.262 1.00 0.00 C ATOM 877 NE ARG A 54 8.950 7.031 7.648 1.00 0.00 N ATOM 878 CZ ARG A 54 9.861 7.961 7.733 1.00 0.00 C ATOM 879 NH1 ARG A 54 9.874 8.770 8.758 1.00 0.00 N ATOM 880 NH2 ARG A 54 10.760 8.082 6.794 1.00 0.00 N ATOM 0 H ARG A 54 6.100 5.615 4.029 1.00 0.00 H new ATOM 0 HA ARG A 54 7.450 8.145 3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.581 5.512 4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.045 7.133 5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.178 6.895 5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.926 5.499 6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.501 8.441 6.990 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.885 7.240 8.108 1.00 0.00 H new ATOM 0 HE ARG A 54 9.192 6.060 7.846 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.172 8.675 9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.586 9.497 8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.750 7.449 5.994 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.472 8.809 6.860 1.00 0.00 H new ATOM 894 N GLN A 55 9.032 7.873 1.891 1.00 0.00 N ATOM 895 CA GLN A 55 10.017 7.722 0.776 1.00 0.00 C ATOM 896 C GLN A 55 9.322 7.190 -0.482 1.00 0.00 C ATOM 897 O GLN A 55 9.092 7.927 -1.418 1.00 0.00 O ATOM 898 CB GLN A 55 11.130 6.764 1.205 1.00 0.00 C ATOM 899 CG GLN A 55 12.313 6.889 0.241 1.00 0.00 C ATOM 900 CD GLN A 55 12.781 8.344 0.191 1.00 0.00 C ATOM 901 OE1 GLN A 55 12.686 9.059 1.168 1.00 0.00 O ATOM 902 NE2 GLN A 55 13.287 8.816 -0.916 1.00 0.00 N ATOM 0 H GLN A 55 8.724 8.830 2.065 1.00 0.00 H new ATOM 0 HA GLN A 55 10.447 8.697 0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.450 6.994 2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.759 5.739 1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.130 6.244 0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.021 6.556 -0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.367 8.216 -1.737 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.602 9.785 -0.960 1.00 0.00 H new ATOM 911 N PHE A 56 8.990 5.918 -0.506 1.00 0.00 N ATOM 912 CA PHE A 56 8.302 5.315 -1.697 1.00 0.00 C ATOM 913 C PHE A 56 9.332 4.832 -2.726 1.00 0.00 C ATOM 914 O PHE A 56 9.580 3.650 -2.859 1.00 0.00 O ATOM 915 CB PHE A 56 7.365 6.341 -2.353 1.00 0.00 C ATOM 916 CG PHE A 56 6.451 5.647 -3.338 1.00 0.00 C ATOM 917 CD1 PHE A 56 5.892 4.403 -3.027 1.00 0.00 C ATOM 918 CD2 PHE A 56 6.162 6.256 -4.565 1.00 0.00 C ATOM 919 CE1 PHE A 56 5.048 3.768 -3.942 1.00 0.00 C ATOM 920 CE2 PHE A 56 5.316 5.621 -5.479 1.00 0.00 C ATOM 921 CZ PHE A 56 4.758 4.376 -5.169 1.00 0.00 C ATOM 0 H PHE A 56 9.168 5.265 0.257 1.00 0.00 H new ATOM 0 HA PHE A 56 7.715 4.463 -1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.774 6.847 -1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.950 7.107 -2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.113 3.933 -2.080 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.593 7.217 -4.806 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.619 2.806 -3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.093 6.092 -6.425 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.105 3.885 -5.875 1.00 0.00 H new ATOM 931 N GLU A 57 9.922 5.733 -3.465 1.00 0.00 N ATOM 932 CA GLU A 57 10.921 5.322 -4.497 1.00 0.00 C ATOM 933 C GLU A 57 11.898 4.291 -3.918 1.00 0.00 C ATOM 934 O GLU A 57 12.506 3.527 -4.642 1.00 0.00 O ATOM 935 CB GLU A 57 11.701 6.552 -4.963 1.00 0.00 C ATOM 936 CG GLU A 57 12.394 6.245 -6.292 1.00 0.00 C ATOM 937 CD GLU A 57 11.462 6.607 -7.451 1.00 0.00 C ATOM 938 OE1 GLU A 57 10.472 5.916 -7.626 1.00 0.00 O ATOM 939 OE2 GLU A 57 11.756 7.569 -8.141 1.00 0.00 O ATOM 0 H GLU A 57 9.756 6.737 -3.399 1.00 0.00 H new ATOM 0 HA GLU A 57 10.394 4.873 -5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.027 7.400 -5.080 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.440 6.833 -4.212 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.323 6.810 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.658 5.189 -6.341 1.00 0.00 H new ATOM 946 N GLN A 58 12.064 4.267 -2.626 1.00 0.00 N ATOM 947 CA GLN A 58 13.013 3.292 -2.011 1.00 0.00 C ATOM 948 C GLN A 58 12.577 1.853 -2.332 1.00 0.00 C ATOM 949 O GLN A 58 12.750 1.392 -3.440 1.00 0.00 O ATOM 950 CB GLN A 58 13.050 3.505 -0.498 1.00 0.00 C ATOM 951 CG GLN A 58 11.638 3.796 0.008 1.00 0.00 C ATOM 952 CD GLN A 58 11.582 3.604 1.525 1.00 0.00 C ATOM 953 OE1 GLN A 58 10.514 3.491 2.092 1.00 0.00 O ATOM 954 NE2 GLN A 58 12.691 3.567 2.214 1.00 0.00 N ATOM 0 H GLN A 58 11.584 4.880 -1.967 1.00 0.00 H new ATOM 0 HA GLN A 58 14.010 3.452 -2.422 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.450 2.619 -0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.714 4.334 -0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.352 4.816 -0.250 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.923 3.132 -0.479 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.589 3.662 1.740 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.659 3.443 3.226 1.00 0.00 H new ATOM 963 N SER A 59 12.027 1.142 -1.368 1.00 0.00 N ATOM 964 CA SER A 59 11.591 -0.272 -1.605 1.00 0.00 C ATOM 965 C SER A 59 11.071 -0.439 -3.034 1.00 0.00 C ATOM 966 O SER A 59 11.200 -1.485 -3.638 1.00 0.00 O ATOM 967 CB SER A 59 10.476 -0.624 -0.619 1.00 0.00 C ATOM 968 OG SER A 59 9.964 -1.912 -0.934 1.00 0.00 O ATOM 0 H SER A 59 11.862 1.487 -0.422 1.00 0.00 H new ATOM 0 HA SER A 59 12.444 -0.935 -1.461 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.859 -0.611 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.681 0.119 -0.670 1.00 0.00 H new ATOM 0 HG SER A 59 9.250 -2.143 -0.304 1.00 0.00 H new ATOM 974 N LYS A 60 10.486 0.588 -3.574 1.00 0.00 N ATOM 975 CA LYS A 60 9.951 0.517 -4.962 1.00 0.00 C ATOM 976 C LYS A 60 10.944 -0.192 -5.887 1.00 0.00 C ATOM 977 O LYS A 60 10.687 -1.268 -6.388 1.00 0.00 O ATOM 978 CB LYS A 60 9.746 1.939 -5.469 1.00 0.00 C ATOM 979 CG LYS A 60 8.889 1.916 -6.737 1.00 0.00 C ATOM 980 CD LYS A 60 9.249 3.113 -7.618 1.00 0.00 C ATOM 981 CE LYS A 60 9.524 2.634 -9.045 1.00 0.00 C ATOM 982 NZ LYS A 60 9.474 3.796 -9.977 1.00 0.00 N ATOM 0 H LYS A 60 10.353 1.486 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 60 9.014 -0.039 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.261 2.543 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.710 2.403 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.053 0.987 -7.283 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.832 1.949 -6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.434 3.837 -7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.127 3.621 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.501 2.154 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.786 1.887 -9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.139 3.641 -10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.510 3.897 -10.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.738 4.663 -9.466 1.00 0.00 H new ATOM 996 N GLN A 61 12.069 0.422 -6.131 1.00 0.00 N ATOM 997 CA GLN A 61 13.083 -0.185 -7.041 1.00 0.00 C ATOM 998 C GLN A 61 13.642 -1.459 -6.421 1.00 0.00 C ATOM 999 O GLN A 61 14.256 -2.274 -7.081 1.00 0.00 O ATOM 1000 CB GLN A 61 14.222 0.810 -7.243 1.00 0.00 C ATOM 1001 CG GLN A 61 14.820 0.633 -8.639 1.00 0.00 C ATOM 1002 CD GLN A 61 14.730 1.955 -9.405 1.00 0.00 C ATOM 1003 OE1 GLN A 61 14.216 2.931 -8.895 1.00 0.00 O ATOM 1004 NE2 GLN A 61 15.211 2.028 -10.615 1.00 0.00 N ATOM 0 H GLN A 61 12.332 1.325 -5.736 1.00 0.00 H new ATOM 0 HA GLN A 61 12.615 -0.425 -7.996 1.00 0.00 H new ATOM 0 HB2 GLN A 61 13.854 1.829 -7.121 1.00 0.00 H new ATOM 0 HB3 GLN A 61 14.991 0.656 -6.486 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.860 0.315 -8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.286 -0.149 -9.178 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.642 1.209 -11.043 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.156 2.905 -11.134 1.00 0.00 H new ATOM 1013 N LEU A 62 13.445 -1.621 -5.155 1.00 0.00 N ATOM 1014 CA LEU A 62 13.970 -2.826 -4.459 1.00 0.00 C ATOM 1015 C LEU A 62 13.078 -4.028 -4.774 1.00 0.00 C ATOM 1016 O LEU A 62 13.307 -5.125 -4.302 1.00 0.00 O ATOM 1017 CB LEU A 62 13.971 -2.572 -2.949 1.00 0.00 C ATOM 1018 CG LEU A 62 15.082 -1.578 -2.568 1.00 0.00 C ATOM 1019 CD1 LEU A 62 15.194 -0.464 -3.616 1.00 0.00 C ATOM 1020 CD2 LEU A 62 14.750 -0.951 -1.214 1.00 0.00 C ATOM 0 H LEU A 62 12.938 -0.966 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 62 14.985 -3.032 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.002 -2.179 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.118 -3.512 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 62 16.029 -2.115 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.985 0.228 -3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 62 15.429 -0.900 -4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.247 0.073 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 62 15.534 -0.245 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.796 -0.427 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.683 -1.733 -0.458 1.00 0.00 H new ATOM 1032 N THR A 63 12.061 -3.831 -5.567 1.00 0.00 N ATOM 1033 CA THR A 63 11.154 -4.960 -5.910 1.00 0.00 C ATOM 1034 C THR A 63 10.861 -4.929 -7.417 1.00 0.00 C ATOM 1035 O THR A 63 11.753 -4.737 -8.221 1.00 0.00 O ATOM 1036 CB THR A 63 9.859 -4.824 -5.101 1.00 0.00 C ATOM 1037 OG1 THR A 63 9.060 -5.987 -5.274 1.00 0.00 O ATOM 1038 CG2 THR A 63 9.087 -3.587 -5.561 1.00 0.00 C ATOM 0 H THR A 63 11.820 -2.936 -5.992 1.00 0.00 H new ATOM 0 HA THR A 63 11.622 -5.913 -5.665 1.00 0.00 H new ATOM 0 HB THR A 63 10.106 -4.715 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.112 -5.746 -5.208 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.168 -3.496 -4.982 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.700 -2.699 -5.410 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.842 -3.684 -6.619 1.00 0.00 H new ATOM 1046 N GLU A 64 9.630 -5.110 -7.815 1.00 0.00 N ATOM 1047 CA GLU A 64 9.307 -5.082 -9.265 1.00 0.00 C ATOM 1048 C GLU A 64 7.886 -4.553 -9.439 1.00 0.00 C ATOM 1049 O GLU A 64 6.986 -5.280 -9.810 1.00 0.00 O ATOM 1050 CB GLU A 64 9.404 -6.496 -9.841 1.00 0.00 C ATOM 1051 CG GLU A 64 8.662 -7.472 -8.926 1.00 0.00 C ATOM 1052 CD GLU A 64 9.675 -8.296 -8.129 1.00 0.00 C ATOM 1053 OE1 GLU A 64 10.704 -7.747 -7.770 1.00 0.00 O ATOM 1054 OE2 GLU A 64 9.405 -9.463 -7.893 1.00 0.00 O ATOM 0 H GLU A 64 8.836 -5.276 -7.196 1.00 0.00 H new ATOM 0 HA GLU A 64 10.011 -4.436 -9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.975 -6.522 -10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.449 -6.791 -9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.008 -6.925 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.027 -8.131 -9.518 1.00 0.00 H new ATOM 1061 N ASN A 65 7.680 -3.292 -9.162 1.00 0.00 N ATOM 1062 CA ASN A 65 6.319 -2.703 -9.298 1.00 0.00 C ATOM 1063 C ASN A 65 5.486 -3.056 -8.066 1.00 0.00 C ATOM 1064 O ASN A 65 4.289 -3.238 -8.146 1.00 0.00 O ATOM 1065 CB ASN A 65 5.643 -3.264 -10.548 1.00 0.00 C ATOM 1066 CG ASN A 65 5.000 -2.126 -11.340 1.00 0.00 C ATOM 1067 OD1 ASN A 65 3.793 -1.981 -11.347 1.00 0.00 O ATOM 1068 ND2 ASN A 65 5.758 -1.305 -12.014 1.00 0.00 N ATOM 0 H ASN A 65 8.401 -2.643 -8.846 1.00 0.00 H new ATOM 0 HA ASN A 65 6.399 -1.619 -9.384 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.375 -3.783 -11.167 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.887 -3.997 -10.267 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.338 -0.543 -12.546 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.771 -1.425 -12.009 1.00 0.00 H new ATOM 1075 N GLY A 66 6.111 -3.149 -6.925 1.00 0.00 N ATOM 1076 CA GLY A 66 5.354 -3.483 -5.686 1.00 0.00 C ATOM 1077 C GLY A 66 4.785 -2.196 -5.090 1.00 0.00 C ATOM 1078 O GLY A 66 3.608 -2.095 -4.810 1.00 0.00 O ATOM 0 H GLY A 66 7.113 -3.008 -6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.548 -4.181 -5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.008 -3.975 -4.966 1.00 0.00 H new ATOM 1082 N ALA A 67 5.615 -1.206 -4.900 1.00 0.00 N ATOM 1083 CA ALA A 67 5.124 0.079 -4.330 1.00 0.00 C ATOM 1084 C ALA A 67 4.395 0.869 -5.418 1.00 0.00 C ATOM 1085 O ALA A 67 3.370 1.474 -5.177 1.00 0.00 O ATOM 1086 CB ALA A 67 6.314 0.894 -3.818 1.00 0.00 C ATOM 0 H ALA A 67 6.612 -1.233 -5.115 1.00 0.00 H new ATOM 0 HA ALA A 67 4.440 -0.123 -3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.957 1.835 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.837 0.329 -3.046 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.997 1.099 -4.643 1.00 0.00 H new ATOM 1092 N GLU A 68 4.916 0.870 -6.615 1.00 0.00 N ATOM 1093 CA GLU A 68 4.254 1.619 -7.712 1.00 0.00 C ATOM 1094 C GLU A 68 2.865 1.032 -7.966 1.00 0.00 C ATOM 1095 O GLU A 68 1.931 1.738 -8.294 1.00 0.00 O ATOM 1096 CB GLU A 68 5.097 1.510 -8.985 1.00 0.00 C ATOM 1097 CG GLU A 68 5.030 2.830 -9.755 1.00 0.00 C ATOM 1098 CD GLU A 68 5.562 2.620 -11.174 1.00 0.00 C ATOM 1099 OE1 GLU A 68 5.824 1.482 -11.525 1.00 0.00 O ATOM 1100 OE2 GLU A 68 5.698 3.602 -11.886 1.00 0.00 O ATOM 0 H GLU A 68 5.773 0.383 -6.877 1.00 0.00 H new ATOM 0 HA GLU A 68 4.157 2.667 -7.430 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.131 1.277 -8.731 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.731 0.694 -9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.002 3.191 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.618 3.592 -9.244 1.00 0.00 H new ATOM 1107 N SER A 69 2.722 -0.257 -7.823 1.00 0.00 N ATOM 1108 CA SER A 69 1.394 -0.889 -8.062 1.00 0.00 C ATOM 1109 C SER A 69 0.480 -0.630 -6.865 1.00 0.00 C ATOM 1110 O SER A 69 -0.614 -0.108 -7.008 1.00 0.00 O ATOM 1111 CB SER A 69 1.575 -2.395 -8.254 1.00 0.00 C ATOM 1112 OG SER A 69 0.351 -3.060 -7.975 1.00 0.00 O ATOM 0 H SER A 69 3.466 -0.899 -7.551 1.00 0.00 H new ATOM 0 HA SER A 69 0.944 -0.461 -8.957 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.891 -2.606 -9.275 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.360 -2.764 -7.594 1.00 0.00 H new ATOM 0 HG SER A 69 0.483 -3.692 -7.238 1.00 0.00 H new ATOM 1118 N VAL A 70 0.916 -0.965 -5.679 1.00 0.00 N ATOM 1119 CA VAL A 70 0.063 -0.706 -4.504 1.00 0.00 C ATOM 1120 C VAL A 70 -0.347 0.738 -4.575 1.00 0.00 C ATOM 1121 O VAL A 70 -1.348 1.135 -4.036 1.00 0.00 O ATOM 1122 CB VAL A 70 0.834 -0.922 -3.203 1.00 0.00 C ATOM 1123 CG1 VAL A 70 -0.092 -0.629 -2.016 1.00 0.00 C ATOM 1124 CG2 VAL A 70 1.329 -2.368 -3.127 1.00 0.00 C ATOM 0 H VAL A 70 1.817 -1.401 -5.483 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.790 -1.384 -4.512 1.00 0.00 H new ATOM 0 HB VAL A 70 1.693 -0.252 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.452 -0.781 -1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.437 0.403 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.950 -1.301 -2.049 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.878 -2.516 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.476 -3.046 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.986 -2.573 -3.973 1.00 0.00 H new ATOM 1134 N LEU A 71 0.439 1.537 -5.234 1.00 0.00 N ATOM 1135 CA LEU A 71 0.081 2.955 -5.336 1.00 0.00 C ATOM 1136 C LEU A 71 -0.915 3.149 -6.471 1.00 0.00 C ATOM 1137 O LEU A 71 -1.833 3.923 -6.369 1.00 0.00 O ATOM 1138 CB LEU A 71 1.317 3.815 -5.562 1.00 0.00 C ATOM 1139 CG LEU A 71 1.599 4.644 -4.304 1.00 0.00 C ATOM 1140 CD1 LEU A 71 0.305 5.172 -3.684 1.00 0.00 C ATOM 1141 CD2 LEU A 71 2.322 3.772 -3.283 1.00 0.00 C ATOM 0 H LEU A 71 1.304 1.264 -5.699 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.376 3.268 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.175 3.184 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.164 4.473 -6.417 1.00 0.00 H new ATOM 0 HG LEU A 71 2.217 5.496 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.540 5.756 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.213 5.803 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.336 4.334 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.526 4.356 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.696 2.918 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.262 3.419 -3.707 1.00 0.00 H new ATOM 1153 N GLN A 72 -0.767 2.449 -7.557 1.00 0.00 N ATOM 1154 CA GLN A 72 -1.762 2.632 -8.641 1.00 0.00 C ATOM 1155 C GLN A 72 -3.137 2.417 -8.022 1.00 0.00 C ATOM 1156 O GLN A 72 -4.109 3.071 -8.351 1.00 0.00 O ATOM 1157 CB GLN A 72 -1.520 1.609 -9.753 1.00 0.00 C ATOM 1158 CG GLN A 72 -0.585 2.210 -10.803 1.00 0.00 C ATOM 1159 CD GLN A 72 -1.287 3.375 -11.506 1.00 0.00 C ATOM 1160 OE1 GLN A 72 -0.736 4.453 -11.618 1.00 0.00 O ATOM 1161 NE2 GLN A 72 -2.487 3.202 -11.985 1.00 0.00 N ATOM 0 H GLN A 72 -0.022 1.776 -7.738 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.684 3.627 -9.079 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.082 0.701 -9.338 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.466 1.325 -10.213 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.334 2.557 -10.331 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.302 1.450 -11.531 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.948 2.297 -11.890 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.965 3.971 -12.454 1.00 0.00 H new ATOM 1170 N VAL A 73 -3.205 1.493 -7.113 1.00 0.00 N ATOM 1171 CA VAL A 73 -4.493 1.184 -6.432 1.00 0.00 C ATOM 1172 C VAL A 73 -4.790 2.176 -5.312 1.00 0.00 C ATOM 1173 O VAL A 73 -5.809 2.823 -5.316 1.00 0.00 O ATOM 1174 CB VAL A 73 -4.402 -0.206 -5.839 1.00 0.00 C ATOM 1175 CG1 VAL A 73 -5.702 -0.536 -5.133 1.00 0.00 C ATOM 1176 CG2 VAL A 73 -4.169 -1.189 -6.972 1.00 0.00 C ATOM 0 H VAL A 73 -2.413 0.928 -6.806 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.295 1.250 -7.167 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.585 -0.263 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.640 -1.536 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.878 0.189 -4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.524 -0.498 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.100 -2.199 -6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.999 -1.136 -7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.241 -0.939 -7.485 1.00 0.00 H new ATOM 1186 N PHE A 74 -3.919 2.298 -4.351 1.00 0.00 N ATOM 1187 CA PHE A 74 -4.158 3.239 -3.244 1.00 0.00 C ATOM 1188 C PHE A 74 -4.586 4.557 -3.860 1.00 0.00 C ATOM 1189 O PHE A 74 -5.648 5.083 -3.590 1.00 0.00 O ATOM 1190 CB PHE A 74 -2.856 3.414 -2.466 1.00 0.00 C ATOM 1191 CG PHE A 74 -2.870 2.509 -1.262 1.00 0.00 C ATOM 1192 CD1 PHE A 74 -3.933 2.565 -0.357 1.00 0.00 C ATOM 1193 CD2 PHE A 74 -1.830 1.592 -1.064 1.00 0.00 C ATOM 1194 CE1 PHE A 74 -3.953 1.707 0.743 1.00 0.00 C ATOM 1195 CE2 PHE A 74 -1.860 0.730 0.036 1.00 0.00 C ATOM 1196 CZ PHE A 74 -2.924 0.791 0.938 1.00 0.00 C ATOM 0 H PHE A 74 -3.044 1.776 -4.292 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.928 2.877 -2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.004 3.178 -3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.742 4.452 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.737 3.270 -0.508 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.006 1.551 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.771 1.754 1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.062 0.018 0.188 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.948 0.126 1.789 1.00 0.00 H new ATOM 1206 N ARG A 75 -3.762 5.071 -4.720 1.00 0.00 N ATOM 1207 CA ARG A 75 -4.103 6.338 -5.408 1.00 0.00 C ATOM 1208 C ARG A 75 -5.409 6.147 -6.185 1.00 0.00 C ATOM 1209 O ARG A 75 -6.262 7.010 -6.188 1.00 0.00 O ATOM 1210 CB ARG A 75 -2.988 6.713 -6.386 1.00 0.00 C ATOM 1211 CG ARG A 75 -1.880 7.462 -5.644 1.00 0.00 C ATOM 1212 CD ARG A 75 -0.565 7.318 -6.411 1.00 0.00 C ATOM 1213 NE ARG A 75 -0.710 7.924 -7.765 1.00 0.00 N ATOM 1214 CZ ARG A 75 -1.253 7.237 -8.732 1.00 0.00 C ATOM 1215 NH1 ARG A 75 -0.898 5.996 -8.929 1.00 0.00 N ATOM 1216 NH2 ARG A 75 -2.150 7.789 -9.501 1.00 0.00 N ATOM 0 H ARG A 75 -2.862 4.666 -4.977 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.218 7.132 -4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.583 5.815 -6.853 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.388 7.336 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.142 8.515 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.770 7.064 -4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.242 7.808 -5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.296 6.265 -6.499 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.385 8.876 -7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.197 5.564 -8.327 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.322 5.458 -9.685 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.427 8.758 -9.347 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.574 7.251 -10.257 1.00 0.00 H new ATOM 1230 N GLU A 76 -5.580 5.025 -6.849 1.00 0.00 N ATOM 1231 CA GLU A 76 -6.846 4.816 -7.618 1.00 0.00 C ATOM 1232 C GLU A 76 -8.044 4.926 -6.677 1.00 0.00 C ATOM 1233 O GLU A 76 -9.144 5.238 -7.085 1.00 0.00 O ATOM 1234 CB GLU A 76 -6.848 3.424 -8.245 1.00 0.00 C ATOM 1235 CG GLU A 76 -6.284 3.499 -9.661 1.00 0.00 C ATOM 1236 CD GLU A 76 -7.320 4.130 -10.592 1.00 0.00 C ATOM 1237 OE1 GLU A 76 -8.443 4.320 -10.155 1.00 0.00 O ATOM 1238 OE2 GLU A 76 -6.973 4.414 -11.728 1.00 0.00 O ATOM 0 H GLU A 76 -4.908 4.258 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.912 5.575 -8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.251 2.741 -7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.862 3.026 -8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.367 4.089 -9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.024 2.501 -10.013 1.00 0.00 H new ATOM 1245 N ALA A 77 -7.837 4.663 -5.423 1.00 0.00 N ATOM 1246 CA ALA A 77 -8.951 4.740 -4.445 1.00 0.00 C ATOM 1247 C ALA A 77 -9.147 6.197 -4.031 1.00 0.00 C ATOM 1248 O ALA A 77 -10.229 6.738 -4.130 1.00 0.00 O ATOM 1249 CB ALA A 77 -8.601 3.871 -3.233 1.00 0.00 C ATOM 0 H ALA A 77 -6.935 4.395 -5.029 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.879 4.375 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.411 3.918 -2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.461 2.839 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.682 4.237 -2.776 1.00 0.00 H new ATOM 1255 N LYS A 78 -8.104 6.845 -3.591 1.00 0.00 N ATOM 1256 CA LYS A 78 -8.229 8.265 -3.203 1.00 0.00 C ATOM 1257 C LYS A 78 -8.670 9.073 -4.428 1.00 0.00 C ATOM 1258 O LYS A 78 -9.105 10.203 -4.322 1.00 0.00 O ATOM 1259 CB LYS A 78 -6.868 8.748 -2.704 1.00 0.00 C ATOM 1260 CG LYS A 78 -5.944 9.042 -3.890 1.00 0.00 C ATOM 1261 CD LYS A 78 -5.729 10.552 -4.006 1.00 0.00 C ATOM 1262 CE LYS A 78 -5.064 11.072 -2.730 1.00 0.00 C ATOM 1263 NZ LYS A 78 -3.755 11.699 -3.071 1.00 0.00 N ATOM 0 H LYS A 78 -7.171 6.446 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.968 8.392 -2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.992 9.646 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.418 7.991 -2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.988 8.537 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.381 8.654 -4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.105 10.776 -4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.683 11.055 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.711 11.800 -2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.915 10.254 -2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.303 12.052 -2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.138 10.992 -3.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.910 12.490 -3.728 1.00 0.00 H new ATOM 1277 N ALA A 79 -8.559 8.490 -5.593 1.00 0.00 N ATOM 1278 CA ALA A 79 -8.965 9.194 -6.840 1.00 0.00 C ATOM 1279 C ALA A 79 -10.432 8.914 -7.128 1.00 0.00 C ATOM 1280 O ALA A 79 -11.288 9.770 -7.012 1.00 0.00 O ATOM 1281 CB ALA A 79 -8.154 8.648 -8.014 1.00 0.00 C ATOM 0 H ALA A 79 -8.200 7.545 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.795 10.263 -6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.448 9.161 -8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.092 8.813 -7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.342 7.580 -8.120 1.00 0.00 H new ATOM 1287 N GLU A 80 -10.710 7.711 -7.529 1.00 0.00 N ATOM 1288 CA GLU A 80 -12.098 7.323 -7.864 1.00 0.00 C ATOM 1289 C GLU A 80 -13.072 7.862 -6.815 1.00 0.00 C ATOM 1290 O GLU A 80 -13.911 8.688 -7.114 1.00 0.00 O ATOM 1291 CB GLU A 80 -12.183 5.802 -7.925 1.00 0.00 C ATOM 1292 CG GLU A 80 -11.108 5.263 -8.872 1.00 0.00 C ATOM 1293 CD GLU A 80 -11.769 4.740 -10.149 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -12.151 3.581 -10.163 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -11.883 5.507 -11.091 1.00 0.00 O ATOM 0 H GLU A 80 -10.020 6.968 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.370 7.747 -8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -12.048 5.380 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.171 5.497 -8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.395 6.050 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.548 4.464 -8.386 1.00 0.00 H new ATOM 1302 N GLY A 81 -12.986 7.410 -5.591 1.00 0.00 N ATOM 1303 CA GLY A 81 -13.942 7.927 -4.566 1.00 0.00 C ATOM 1304 C GLY A 81 -13.440 7.632 -3.152 1.00 0.00 C ATOM 1305 O GLY A 81 -13.667 8.399 -2.238 1.00 0.00 O ATOM 0 H GLY A 81 -12.311 6.720 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.071 9.002 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.920 7.469 -4.712 1.00 0.00 H new ATOM 1309 N ALA A 82 -12.777 6.524 -2.958 1.00 0.00 N ATOM 1310 CA ALA A 82 -12.278 6.178 -1.595 1.00 0.00 C ATOM 1311 C ALA A 82 -11.744 7.428 -0.894 1.00 0.00 C ATOM 1312 O ALA A 82 -11.415 8.415 -1.521 1.00 0.00 O ATOM 1313 CB ALA A 82 -11.156 5.151 -1.711 1.00 0.00 C ATOM 0 H ALA A 82 -12.559 5.843 -3.685 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.101 5.765 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.791 4.897 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.534 4.252 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.340 5.568 -2.302 1.00 0.00 H new ATOM 1319 N ASP A 83 -11.649 7.386 0.407 1.00 0.00 N ATOM 1320 CA ASP A 83 -11.129 8.559 1.159 1.00 0.00 C ATOM 1321 C ASP A 83 -9.728 8.230 1.669 1.00 0.00 C ATOM 1322 O ASP A 83 -9.447 8.317 2.849 1.00 0.00 O ATOM 1323 CB ASP A 83 -12.050 8.861 2.344 1.00 0.00 C ATOM 1324 CG ASP A 83 -12.710 10.226 2.142 1.00 0.00 C ATOM 1325 OD1 ASP A 83 -12.994 10.563 1.004 1.00 0.00 O ATOM 1326 OD2 ASP A 83 -12.921 10.912 3.128 1.00 0.00 O ATOM 0 H ASP A 83 -11.911 6.585 0.982 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.093 9.432 0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.812 8.086 2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.479 8.855 3.273 1.00 0.00 H new ATOM 1331 N ILE A 84 -8.850 7.843 0.788 1.00 0.00 N ATOM 1332 CA ILE A 84 -7.469 7.496 1.217 1.00 0.00 C ATOM 1333 C ILE A 84 -6.534 8.674 0.940 1.00 0.00 C ATOM 1334 O ILE A 84 -6.737 9.440 0.020 1.00 0.00 O ATOM 1335 CB ILE A 84 -6.993 6.271 0.438 1.00 0.00 C ATOM 1336 CG1 ILE A 84 -7.820 5.063 0.856 1.00 0.00 C ATOM 1337 CG2 ILE A 84 -5.524 5.996 0.757 1.00 0.00 C ATOM 1338 CD1 ILE A 84 -8.126 4.209 -0.370 1.00 0.00 C ATOM 0 H ILE A 84 -9.030 7.752 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.463 7.276 2.285 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.108 6.456 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.277 4.475 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.748 5.389 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.188 5.122 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.922 6.860 0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.412 5.810 1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.718 3.344 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.686 4.800 -1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.193 3.872 -0.821 1.00 0.00 H new ATOM 1350 N THR A 85 -5.503 8.812 1.724 1.00 0.00 N ATOM 1351 CA THR A 85 -4.539 9.923 1.510 1.00 0.00 C ATOM 1352 C THR A 85 -3.195 9.313 1.129 1.00 0.00 C ATOM 1353 O THR A 85 -2.453 8.844 1.972 1.00 0.00 O ATOM 1354 CB THR A 85 -4.394 10.737 2.797 1.00 0.00 C ATOM 1355 OG1 THR A 85 -5.617 11.403 3.075 1.00 0.00 O ATOM 1356 CG2 THR A 85 -3.276 11.767 2.628 1.00 0.00 C ATOM 0 H THR A 85 -5.286 8.198 2.509 1.00 0.00 H new ATOM 0 HA THR A 85 -4.892 10.585 0.719 1.00 0.00 H new ATOM 0 HB THR A 85 -4.148 10.070 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.526 11.923 3.900 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.173 12.347 3.545 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.338 11.254 2.416 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.519 12.435 1.802 1.00 0.00 H new ATOM 1364 N ILE A 86 -2.883 9.288 -0.134 1.00 0.00 N ATOM 1365 CA ILE A 86 -1.598 8.681 -0.563 1.00 0.00 C ATOM 1366 C ILE A 86 -0.467 9.695 -0.394 1.00 0.00 C ATOM 1367 O ILE A 86 -0.449 10.741 -1.012 1.00 0.00 O ATOM 1368 CB ILE A 86 -1.728 8.204 -2.022 1.00 0.00 C ATOM 1369 CG1 ILE A 86 -1.994 6.691 -2.030 1.00 0.00 C ATOM 1370 CG2 ILE A 86 -0.441 8.486 -2.810 1.00 0.00 C ATOM 1371 CD1 ILE A 86 -3.087 6.332 -1.013 1.00 0.00 C ATOM 0 H ILE A 86 -3.462 9.661 -0.886 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.360 7.817 0.057 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.550 8.743 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.299 6.375 -3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.076 6.153 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.560 8.140 -3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.241 9.558 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.393 7.961 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.263 5.256 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.767 6.630 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.008 6.855 -1.270 1.00 0.00 H new ATOM 1383 N ILE A 87 0.477 9.380 0.446 1.00 0.00 N ATOM 1384 CA ILE A 87 1.618 10.311 0.672 1.00 0.00 C ATOM 1385 C ILE A 87 2.804 9.883 -0.195 1.00 0.00 C ATOM 1386 O ILE A 87 3.130 8.716 -0.285 1.00 0.00 O ATOM 1387 CB ILE A 87 2.025 10.273 2.147 1.00 0.00 C ATOM 1388 CG1 ILE A 87 0.809 10.595 3.018 1.00 0.00 C ATOM 1389 CG2 ILE A 87 3.123 11.308 2.401 1.00 0.00 C ATOM 1390 CD1 ILE A 87 0.369 12.038 2.767 1.00 0.00 C ATOM 0 H ILE A 87 0.509 8.516 0.988 1.00 0.00 H new ATOM 0 HA ILE A 87 1.318 11.324 0.404 1.00 0.00 H new ATOM 0 HB ILE A 87 2.399 9.280 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.007 9.910 2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.056 10.457 4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.413 11.281 3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.989 11.080 1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.751 12.302 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.497 12.267 3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.185 12.716 3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.105 12.161 1.716 1.00 0.00 H new ATOM 1402 N LEU A 88 3.451 10.818 -0.836 1.00 0.00 N ATOM 1403 CA LEU A 88 4.614 10.463 -1.697 1.00 0.00 C ATOM 1404 C LEU A 88 5.623 11.613 -1.695 1.00 0.00 C ATOM 1405 O LEU A 88 5.869 12.238 -2.708 1.00 0.00 O ATOM 1406 CB LEU A 88 4.133 10.212 -3.128 1.00 0.00 C ATOM 1407 CG LEU A 88 3.308 8.924 -3.172 1.00 0.00 C ATOM 1408 CD1 LEU A 88 2.720 8.741 -4.571 1.00 0.00 C ATOM 1409 CD2 LEU A 88 4.209 7.733 -2.838 1.00 0.00 C ATOM 0 H LEU A 88 3.224 11.812 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 88 5.089 9.562 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.532 11.053 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.987 10.133 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 88 2.499 8.985 -2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.133 7.823 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.080 9.590 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.528 8.679 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.624 6.814 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.017 7.673 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.629 7.863 -1.840 1.00 0.00 H new ATOM 1421 N SER A 89 6.209 11.899 -0.564 1.00 0.00 N ATOM 1422 CA SER A 89 7.202 13.008 -0.499 1.00 0.00 C ATOM 1423 C SER A 89 7.843 13.038 0.889 1.00 0.00 C ATOM 1424 O SER A 89 7.692 12.066 1.610 1.00 0.00 O ATOM 1425 CB SER A 89 6.496 14.339 -0.765 1.00 0.00 C ATOM 1426 OG SER A 89 7.194 15.044 -1.783 1.00 0.00 O ATOM 1427 OXT SER A 89 8.474 14.032 1.207 1.00 0.00 O ATOM 0 H SER A 89 6.043 11.413 0.317 1.00 0.00 H new ATOM 0 HA SER A 89 7.975 12.850 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.465 14.162 -1.070 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.461 14.934 0.147 1.00 0.00 H new ATOM 0 HG SER A 89 6.744 15.897 -1.958 1.00 0.00 H new TER 1433 SER A 89