USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 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 8 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.031) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.306 USER MOD Single : A 41 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0273) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -66:sc= 0.357 USER MOD Single : A 50 ASN :FLIP amide:sc= -1.28 F(o=-1.9,f=-1.3) USER MOD Single : A 51 THR OG1 : rot -170:sc= 0.306 USER MOD Single : A 57 ASN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 60 CYS SG : rot 160:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.12) USER MOD Single : A 70 SER OG : rot 93:sc= 0.0146 USER MOD Single : A 71 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.033) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 60:sc= -0.231 USER MOD Single : A 75 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.027) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0258 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 1.969 20.569 -20.573 1.00 0.00 N ATOM 2 CA HIS A 8 1.759 21.918 -19.976 1.00 0.00 C ATOM 3 C HIS A 8 2.019 21.856 -18.470 1.00 0.00 C ATOM 4 O HIS A 8 3.073 22.230 -17.996 1.00 0.00 O ATOM 5 CB HIS A 8 0.318 22.368 -20.224 1.00 0.00 C ATOM 6 CG HIS A 8 0.177 22.842 -21.644 1.00 0.00 C ATOM 7 ND1 HIS A 8 -0.941 22.554 -22.411 1.00 0.00 N ATOM 8 CD2 HIS A 8 1.003 23.586 -22.450 1.00 0.00 C ATOM 9 CE1 HIS A 8 -0.760 23.116 -23.620 1.00 0.00 C ATOM 10 NE2 HIS A 8 0.409 23.757 -23.697 1.00 0.00 N ATOM 0 HA HIS A 8 2.446 22.628 -20.436 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.369 21.543 -20.035 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.052 23.169 -19.534 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.967 23.979 -22.160 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.473 23.056 -24.429 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.786 24.263 -24.498 1.00 0.00 H new ATOM 20 N MET A 9 1.065 21.386 -17.713 1.00 0.00 N ATOM 21 CA MET A 9 1.256 21.301 -16.239 1.00 0.00 C ATOM 22 C MET A 9 2.456 20.404 -15.930 1.00 0.00 C ATOM 23 O MET A 9 2.855 19.584 -16.733 1.00 0.00 O ATOM 24 CB MET A 9 0.000 20.710 -15.596 1.00 0.00 C ATOM 25 CG MET A 9 -0.114 19.229 -15.962 1.00 0.00 C ATOM 26 SD MET A 9 -1.854 18.732 -15.929 1.00 0.00 S ATOM 27 CE MET A 9 -1.914 18.228 -14.192 1.00 0.00 C ATOM 0 H MET A 9 0.161 21.057 -18.053 1.00 0.00 H new ATOM 0 HA MET A 9 1.436 22.299 -15.838 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.045 20.825 -14.513 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.884 21.249 -15.938 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.306 19.055 -16.952 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.461 18.625 -15.261 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.917 17.879 -13.949 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.198 17.424 -14.022 1.00 0.00 H new ATOM 0 HE3 MET A 9 -1.662 19.078 -13.558 1.00 0.00 H new ATOM 37 N VAL A 10 3.036 20.553 -14.770 1.00 0.00 N ATOM 38 CA VAL A 10 4.211 19.709 -14.410 1.00 0.00 C ATOM 39 C VAL A 10 3.746 18.527 -13.557 1.00 0.00 C ATOM 40 O VAL A 10 2.618 18.479 -13.107 1.00 0.00 O ATOM 41 CB VAL A 10 5.216 20.545 -13.616 1.00 0.00 C ATOM 42 CG1 VAL A 10 5.723 21.696 -14.486 1.00 0.00 C ATOM 43 CG2 VAL A 10 4.534 21.112 -12.368 1.00 0.00 C ATOM 0 H VAL A 10 2.747 21.222 -14.056 1.00 0.00 H new ATOM 0 HA VAL A 10 4.685 19.339 -15.319 1.00 0.00 H new ATOM 0 HB VAL A 10 6.056 19.917 -13.319 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.439 22.292 -13.920 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.208 21.294 -15.375 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.883 22.324 -14.784 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.249 21.708 -11.801 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.694 21.740 -12.666 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.172 20.292 -11.747 1.00 0.00 H new ATOM 53 N GLU A 11 4.606 17.572 -13.332 1.00 0.00 N ATOM 54 CA GLU A 11 4.212 16.393 -12.508 1.00 0.00 C ATOM 55 C GLU A 11 5.415 15.917 -11.693 1.00 0.00 C ATOM 56 O GLU A 11 5.431 14.818 -11.177 1.00 0.00 O ATOM 57 CB GLU A 11 3.738 15.265 -13.426 1.00 0.00 C ATOM 58 CG GLU A 11 2.261 15.471 -13.769 1.00 0.00 C ATOM 59 CD GLU A 11 1.402 14.552 -12.899 1.00 0.00 C ATOM 60 OE1 GLU A 11 1.147 14.913 -11.762 1.00 0.00 O ATOM 61 OE2 GLU A 11 1.012 13.503 -13.385 1.00 0.00 O ATOM 0 H GLU A 11 5.564 17.556 -13.682 1.00 0.00 H new ATOM 0 HA GLU A 11 3.404 16.674 -11.833 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.335 15.249 -14.338 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.877 14.301 -12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.980 16.511 -13.605 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.088 15.257 -14.824 1.00 0.00 H new ATOM 68 N GLU A 12 6.424 16.736 -11.571 1.00 0.00 N ATOM 69 CA GLU A 12 7.624 16.328 -10.788 1.00 0.00 C ATOM 70 C GLU A 12 8.325 17.574 -10.241 1.00 0.00 C ATOM 71 O GLU A 12 9.514 17.753 -10.412 1.00 0.00 O ATOM 72 CB GLU A 12 8.587 15.558 -11.695 1.00 0.00 C ATOM 73 CG GLU A 12 9.408 14.580 -10.853 1.00 0.00 C ATOM 74 CD GLU A 12 9.665 13.305 -11.657 1.00 0.00 C ATOM 75 OE1 GLU A 12 10.602 13.300 -12.441 1.00 0.00 O ATOM 76 OE2 GLU A 12 8.923 12.354 -11.478 1.00 0.00 O ATOM 0 H GLU A 12 6.469 17.669 -11.980 1.00 0.00 H new ATOM 0 HA GLU A 12 7.317 15.691 -9.959 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.029 15.017 -12.460 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.248 16.252 -12.214 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.354 15.038 -10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.876 14.341 -9.932 1.00 0.00 H new ATOM 83 N VAL A 13 7.599 18.435 -9.583 1.00 0.00 N ATOM 84 CA VAL A 13 8.226 19.667 -9.027 1.00 0.00 C ATOM 85 C VAL A 13 9.147 19.291 -7.865 1.00 0.00 C ATOM 86 O VAL A 13 8.925 18.315 -7.175 1.00 0.00 O ATOM 87 CB VAL A 13 7.134 20.613 -8.524 1.00 0.00 C ATOM 88 CG1 VAL A 13 6.448 19.998 -7.302 1.00 0.00 C ATOM 89 CG2 VAL A 13 7.762 21.953 -8.133 1.00 0.00 C ATOM 0 H VAL A 13 6.599 18.339 -9.406 1.00 0.00 H new ATOM 0 HA VAL A 13 8.806 20.162 -9.806 1.00 0.00 H new ATOM 0 HB VAL A 13 6.399 20.771 -9.313 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.670 20.672 -6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.002 19.043 -7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.183 19.841 -6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.985 22.628 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.497 21.794 -7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.252 22.393 -9.002 1.00 0.00 H new ATOM 99 N LEU A 14 10.180 20.056 -7.642 1.00 0.00 N ATOM 100 CA LEU A 14 11.115 19.742 -6.525 1.00 0.00 C ATOM 101 C LEU A 14 11.260 20.969 -5.622 1.00 0.00 C ATOM 102 O LEU A 14 12.350 21.339 -5.234 1.00 0.00 O ATOM 103 CB LEU A 14 12.484 19.364 -7.096 1.00 0.00 C ATOM 104 CG LEU A 14 13.196 18.417 -6.128 1.00 0.00 C ATOM 105 CD1 LEU A 14 12.534 17.039 -6.181 1.00 0.00 C ATOM 106 CD2 LEU A 14 14.667 18.291 -6.532 1.00 0.00 C ATOM 0 H LEU A 14 10.417 20.886 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 14 10.721 18.908 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.365 18.886 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 14 13.085 20.260 -7.253 1.00 0.00 H new ATOM 0 HG LEU A 14 13.128 18.813 -5.115 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.042 16.365 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.486 17.128 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.602 16.641 -7.194 1.00 0.00 H new ATOM 0 HD21 LEU A 14 15.177 17.617 -5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 14 14.733 17.894 -7.545 1.00 0.00 H new ATOM 0 HD23 LEU A 14 15.140 19.272 -6.495 1.00 0.00 H new ATOM 118 N GLU A 15 10.170 21.602 -5.286 1.00 0.00 N ATOM 119 CA GLU A 15 10.245 22.803 -4.408 1.00 0.00 C ATOM 120 C GLU A 15 10.935 22.433 -3.094 1.00 0.00 C ATOM 121 O GLU A 15 11.534 21.383 -2.970 1.00 0.00 O ATOM 122 CB GLU A 15 8.832 23.311 -4.115 1.00 0.00 C ATOM 123 CG GLU A 15 7.976 22.158 -3.585 1.00 0.00 C ATOM 124 CD GLU A 15 6.581 22.678 -3.230 1.00 0.00 C ATOM 125 OE1 GLU A 15 5.821 22.949 -4.144 1.00 0.00 O ATOM 126 OE2 GLU A 15 6.299 22.798 -2.049 1.00 0.00 O ATOM 0 H GLU A 15 9.230 21.339 -5.582 1.00 0.00 H new ATOM 0 HA GLU A 15 10.815 23.584 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.868 24.118 -3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.387 23.722 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.902 21.371 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.446 21.717 -2.706 1.00 0.00 H new ATOM 133 N GLU A 16 10.858 23.289 -2.111 1.00 0.00 N ATOM 134 CA GLU A 16 11.509 22.984 -0.806 1.00 0.00 C ATOM 135 C GLU A 16 10.788 21.812 -0.138 1.00 0.00 C ATOM 136 O GLU A 16 9.586 21.669 -0.244 1.00 0.00 O ATOM 137 CB GLU A 16 11.433 24.214 0.102 1.00 0.00 C ATOM 138 CG GLU A 16 12.461 24.083 1.226 1.00 0.00 C ATOM 139 CD GLU A 16 12.213 25.169 2.275 1.00 0.00 C ATOM 140 OE1 GLU A 16 11.056 25.432 2.563 1.00 0.00 O ATOM 141 OE2 GLU A 16 13.181 25.718 2.771 1.00 0.00 O ATOM 0 H GLU A 16 10.373 24.185 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 16 12.553 22.720 -0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.624 25.118 -0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.431 24.309 0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.390 23.097 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.470 24.175 0.823 1.00 0.00 H new ATOM 148 N GLU A 17 11.511 20.972 0.549 1.00 0.00 N ATOM 149 CA GLU A 17 10.865 19.810 1.222 1.00 0.00 C ATOM 150 C GLU A 17 11.176 19.848 2.719 1.00 0.00 C ATOM 151 O GLU A 17 12.320 19.800 3.127 1.00 0.00 O ATOM 152 CB GLU A 17 11.405 18.509 0.623 1.00 0.00 C ATOM 153 CG GLU A 17 10.858 17.317 1.411 1.00 0.00 C ATOM 154 CD GLU A 17 11.886 16.879 2.456 1.00 0.00 C ATOM 155 OE1 GLU A 17 12.875 16.278 2.069 1.00 0.00 O ATOM 156 OE2 GLU A 17 11.667 17.152 3.624 1.00 0.00 O ATOM 0 H GLU A 17 12.521 21.040 0.674 1.00 0.00 H new ATOM 0 HA GLU A 17 9.786 19.859 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.114 18.430 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.495 18.508 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.922 17.589 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.637 16.491 0.735 1.00 0.00 H new ATOM 163 N GLU A 18 10.167 19.932 3.542 1.00 0.00 N ATOM 164 CA GLU A 18 10.406 19.973 5.012 1.00 0.00 C ATOM 165 C GLU A 18 10.114 18.597 5.614 1.00 0.00 C ATOM 166 O GLU A 18 9.200 17.910 5.201 1.00 0.00 O ATOM 167 CB GLU A 18 9.484 21.015 5.651 1.00 0.00 C ATOM 168 CG GLU A 18 9.538 20.879 7.174 1.00 0.00 C ATOM 169 CD GLU A 18 8.879 22.099 7.819 1.00 0.00 C ATOM 170 OE1 GLU A 18 8.777 23.116 7.153 1.00 0.00 O ATOM 171 OE2 GLU A 18 8.487 21.997 8.971 1.00 0.00 O ATOM 0 H GLU A 18 9.188 19.974 3.260 1.00 0.00 H new ATOM 0 HA GLU A 18 11.445 20.241 5.204 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.790 22.018 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.462 20.876 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.027 19.968 7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.573 20.794 7.506 1.00 0.00 H new ATOM 178 N GLU A 19 10.882 18.188 6.586 1.00 0.00 N ATOM 179 CA GLU A 19 10.646 16.857 7.211 1.00 0.00 C ATOM 180 C GLU A 19 10.509 15.796 6.117 1.00 0.00 C ATOM 181 O GLU A 19 9.451 15.610 5.548 1.00 0.00 O ATOM 182 CB GLU A 19 9.361 16.903 8.040 1.00 0.00 C ATOM 183 CG GLU A 19 9.626 17.645 9.353 1.00 0.00 C ATOM 184 CD GLU A 19 9.620 16.648 10.513 1.00 0.00 C ATOM 185 OE1 GLU A 19 10.252 15.613 10.382 1.00 0.00 O ATOM 186 OE2 GLU A 19 8.983 16.936 11.512 1.00 0.00 O ATOM 0 H GLU A 19 11.662 18.718 6.974 1.00 0.00 H new ATOM 0 HA GLU A 19 11.487 16.606 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.572 17.404 7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.012 15.891 8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.587 18.158 9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.864 18.408 9.512 1.00 0.00 H new ATOM 193 N GLU A 20 11.570 15.098 5.818 1.00 0.00 N ATOM 194 CA GLU A 20 11.500 14.050 4.761 1.00 0.00 C ATOM 195 C GLU A 20 10.263 13.178 4.991 1.00 0.00 C ATOM 196 O GLU A 20 9.886 12.903 6.113 1.00 0.00 O ATOM 197 CB GLU A 20 12.755 13.178 4.824 1.00 0.00 C ATOM 198 CG GLU A 20 13.706 13.566 3.689 1.00 0.00 C ATOM 199 CD GLU A 20 14.520 12.343 3.265 1.00 0.00 C ATOM 200 OE1 GLU A 20 14.224 11.262 3.748 1.00 0.00 O ATOM 201 OE2 GLU A 20 15.426 12.507 2.464 1.00 0.00 O ATOM 0 H GLU A 20 12.483 15.208 6.260 1.00 0.00 H new ATOM 0 HA GLU A 20 11.435 14.524 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.250 13.305 5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.484 12.126 4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.139 13.951 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.372 14.364 4.016 1.00 0.00 H new ATOM 208 N TYR A 21 9.630 12.741 3.938 1.00 0.00 N ATOM 209 CA TYR A 21 8.420 11.887 4.099 1.00 0.00 C ATOM 210 C TYR A 21 8.680 10.511 3.515 1.00 0.00 C ATOM 211 O TYR A 21 9.800 10.149 3.215 1.00 0.00 O ATOM 212 CB TYR A 21 7.234 12.521 3.373 1.00 0.00 C ATOM 213 CG TYR A 21 6.870 13.826 4.038 1.00 0.00 C ATOM 214 CD1 TYR A 21 6.255 13.821 5.298 1.00 0.00 C ATOM 215 CD2 TYR A 21 7.149 15.041 3.398 1.00 0.00 C ATOM 216 CE1 TYR A 21 5.918 15.032 5.916 1.00 0.00 C ATOM 217 CE2 TYR A 21 6.811 16.253 4.018 1.00 0.00 C ATOM 218 CZ TYR A 21 6.195 16.248 5.277 1.00 0.00 C ATOM 219 OH TYR A 21 5.863 17.440 5.887 1.00 0.00 O ATOM 0 H TYR A 21 9.898 12.938 2.974 1.00 0.00 H new ATOM 0 HA TYR A 21 8.192 11.798 5.161 1.00 0.00 H new ATOM 0 HB2 TYR A 21 7.485 12.693 2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.381 11.843 3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.041 12.884 5.792 1.00 0.00 H new ATOM 0 HD2 TYR A 21 7.624 15.044 2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 21 5.444 15.029 6.886 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.025 17.190 3.525 1.00 0.00 H new ATOM 0 HH TYR A 21 6.125 18.187 5.309 1.00 0.00 H new ATOM 229 N VAL A 22 7.651 9.736 3.366 1.00 0.00 N ATOM 230 CA VAL A 22 7.827 8.375 2.818 1.00 0.00 C ATOM 231 C VAL A 22 6.457 7.819 2.423 1.00 0.00 C ATOM 232 O VAL A 22 6.289 7.251 1.362 1.00 0.00 O ATOM 233 CB VAL A 22 8.477 7.468 3.876 1.00 0.00 C ATOM 234 CG1 VAL A 22 9.812 6.941 3.346 1.00 0.00 C ATOM 235 CG2 VAL A 22 8.730 8.247 5.174 1.00 0.00 C ATOM 0 H VAL A 22 6.691 9.989 3.602 1.00 0.00 H new ATOM 0 HA VAL A 22 8.474 8.410 1.942 1.00 0.00 H new ATOM 0 HB VAL A 22 7.800 6.639 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.273 6.298 4.096 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.641 6.370 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.474 7.779 3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.190 7.588 5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.396 9.086 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.784 8.622 5.564 1.00 0.00 H new ATOM 245 N VAL A 23 5.475 7.987 3.263 1.00 0.00 N ATOM 246 CA VAL A 23 4.118 7.476 2.933 1.00 0.00 C ATOM 247 C VAL A 23 3.481 8.394 1.895 1.00 0.00 C ATOM 248 O VAL A 23 2.727 9.289 2.222 1.00 0.00 O ATOM 249 CB VAL A 23 3.257 7.460 4.198 1.00 0.00 C ATOM 250 CG1 VAL A 23 1.931 6.757 3.904 1.00 0.00 C ATOM 251 CG2 VAL A 23 3.996 6.708 5.307 1.00 0.00 C ATOM 0 H VAL A 23 5.554 8.457 4.165 1.00 0.00 H new ATOM 0 HA VAL A 23 4.191 6.464 2.535 1.00 0.00 H new ATOM 0 HB VAL A 23 3.063 8.484 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.318 6.746 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.404 7.290 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.125 5.733 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.384 6.696 6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.190 5.684 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.942 7.207 5.517 1.00 0.00 H new ATOM 261 N GLU A 24 3.781 8.187 0.644 1.00 0.00 N ATOM 262 CA GLU A 24 3.195 9.059 -0.408 1.00 0.00 C ATOM 263 C GLU A 24 1.875 8.456 -0.894 1.00 0.00 C ATOM 264 O GLU A 24 0.912 9.158 -1.130 1.00 0.00 O ATOM 265 CB GLU A 24 4.169 9.170 -1.582 1.00 0.00 C ATOM 266 CG GLU A 24 3.630 10.178 -2.599 1.00 0.00 C ATOM 267 CD GLU A 24 4.780 10.694 -3.466 1.00 0.00 C ATOM 268 OE1 GLU A 24 5.842 10.096 -3.422 1.00 0.00 O ATOM 269 OE2 GLU A 24 4.579 11.677 -4.158 1.00 0.00 O ATOM 0 H GLU A 24 4.405 7.454 0.306 1.00 0.00 H new ATOM 0 HA GLU A 24 3.011 10.051 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.150 9.486 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.299 8.196 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.871 9.708 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.148 11.009 -2.083 1.00 0.00 H new ATOM 276 N LYS A 25 1.823 7.161 -1.046 1.00 0.00 N ATOM 277 CA LYS A 25 0.561 6.520 -1.518 1.00 0.00 C ATOM 278 C LYS A 25 0.795 5.026 -1.753 1.00 0.00 C ATOM 279 O LYS A 25 1.915 4.579 -1.895 1.00 0.00 O ATOM 280 CB LYS A 25 0.116 7.172 -2.829 1.00 0.00 C ATOM 281 CG LYS A 25 -1.405 7.345 -2.827 1.00 0.00 C ATOM 282 CD LYS A 25 -1.750 8.831 -2.718 1.00 0.00 C ATOM 283 CE LYS A 25 -1.962 9.199 -1.248 1.00 0.00 C ATOM 284 NZ LYS A 25 -2.072 10.679 -1.118 1.00 0.00 N ATOM 0 H LYS A 25 2.596 6.521 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.212 6.652 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.602 8.140 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.421 6.556 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.830 6.928 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.843 6.797 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.947 9.434 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.650 9.049 -3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.866 8.722 -0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.131 8.831 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.216 10.930 -0.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.198 11.124 -1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.879 11.018 -1.680 1.00 0.00 H new ATOM 298 N VAL A 26 -0.254 4.251 -1.799 1.00 0.00 N ATOM 299 CA VAL A 26 -0.091 2.786 -2.031 1.00 0.00 C ATOM 300 C VAL A 26 -0.280 2.493 -3.521 1.00 0.00 C ATOM 301 O VAL A 26 -1.199 2.985 -4.147 1.00 0.00 O ATOM 302 CB VAL A 26 -1.138 2.006 -1.225 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.523 0.700 -0.720 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.600 2.839 -0.028 1.00 0.00 C ATOM 0 H VAL A 26 -1.217 4.568 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 26 0.905 2.479 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.992 1.789 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.266 0.145 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.197 0.099 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.333 0.923 -0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.343 2.279 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.746 3.061 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.040 3.771 -0.382 1.00 0.00 H new ATOM 314 N LEU A 27 0.582 1.702 -4.096 1.00 0.00 N ATOM 315 CA LEU A 27 0.446 1.390 -5.546 1.00 0.00 C ATOM 316 C LEU A 27 -0.012 -0.060 -5.723 1.00 0.00 C ATOM 317 O LEU A 27 -0.531 -0.432 -6.757 1.00 0.00 O ATOM 318 CB LEU A 27 1.796 1.588 -6.240 1.00 0.00 C ATOM 319 CG LEU A 27 2.260 3.032 -6.045 1.00 0.00 C ATOM 320 CD1 LEU A 27 3.725 3.158 -6.469 1.00 0.00 C ATOM 321 CD2 LEU A 27 1.401 3.962 -6.904 1.00 0.00 C ATOM 0 H LEU A 27 1.372 1.259 -3.627 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.293 2.057 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.533 0.899 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.707 1.363 -7.303 1.00 0.00 H new ATOM 0 HG LEU A 27 2.160 3.308 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.057 4.187 -6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.338 2.494 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.825 2.883 -7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.730 4.992 -6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.503 3.686 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.357 3.872 -6.605 1.00 0.00 H new ATOM 333 N ASP A 28 0.171 -0.885 -4.726 1.00 0.00 N ATOM 334 CA ASP A 28 -0.262 -2.306 -4.857 1.00 0.00 C ATOM 335 C ASP A 28 -0.200 -2.999 -3.493 1.00 0.00 C ATOM 336 O ASP A 28 0.188 -2.412 -2.503 1.00 0.00 O ATOM 337 CB ASP A 28 0.662 -3.031 -5.839 1.00 0.00 C ATOM 338 CG ASP A 28 -0.180 -3.749 -6.896 1.00 0.00 C ATOM 339 OD1 ASP A 28 -1.355 -3.962 -6.645 1.00 0.00 O ATOM 340 OD2 ASP A 28 0.364 -4.074 -7.938 1.00 0.00 O ATOM 0 H ASP A 28 0.598 -0.638 -3.833 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.287 -2.335 -5.227 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.334 -2.318 -6.317 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.285 -3.749 -5.306 1.00 0.00 H new ATOM 345 N ARG A 29 -0.578 -4.248 -3.439 1.00 0.00 N ATOM 346 CA ARG A 29 -0.545 -4.989 -2.147 1.00 0.00 C ATOM 347 C ARG A 29 -0.196 -6.455 -2.418 1.00 0.00 C ATOM 348 O ARG A 29 -0.635 -7.037 -3.390 1.00 0.00 O ATOM 349 CB ARG A 29 -1.919 -4.906 -1.476 1.00 0.00 C ATOM 350 CG ARG A 29 -1.943 -5.807 -0.238 1.00 0.00 C ATOM 351 CD ARG A 29 -3.393 -6.090 0.159 1.00 0.00 C ATOM 352 NE ARG A 29 -3.962 -7.131 -0.742 1.00 0.00 N ATOM 353 CZ ARG A 29 -5.173 -7.577 -0.542 1.00 0.00 C ATOM 354 NH1 ARG A 29 -5.730 -7.449 0.631 1.00 0.00 N ATOM 355 NH2 ARG A 29 -5.826 -8.149 -1.516 1.00 0.00 N ATOM 0 H ARG A 29 -0.909 -4.788 -4.238 1.00 0.00 H new ATOM 0 HA ARG A 29 0.205 -4.549 -1.490 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.134 -3.876 -1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.696 -5.213 -2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.422 -6.742 -0.445 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.417 -5.325 0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.438 -6.426 1.195 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.984 -5.176 0.095 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.406 -7.495 -1.515 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.220 -7.001 1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.676 -7.797 0.787 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.391 -8.248 -2.433 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.772 -8.498 -1.360 1.00 0.00 H new ATOM 369 N ARG A 30 0.593 -7.057 -1.570 1.00 0.00 N ATOM 370 CA ARG A 30 0.968 -8.483 -1.789 1.00 0.00 C ATOM 371 C ARG A 30 0.424 -9.341 -0.645 1.00 0.00 C ATOM 372 O ARG A 30 -0.136 -8.840 0.310 1.00 0.00 O ATOM 373 CB ARG A 30 2.491 -8.608 -1.840 1.00 0.00 C ATOM 374 CG ARG A 30 2.874 -9.889 -2.586 1.00 0.00 C ATOM 375 CD ARG A 30 3.445 -10.906 -1.595 1.00 0.00 C ATOM 376 NE ARG A 30 4.801 -10.468 -1.161 1.00 0.00 N ATOM 377 CZ ARG A 30 5.521 -11.239 -0.395 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.752 -12.476 -0.743 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.012 -10.774 0.722 1.00 0.00 N ATOM 0 H ARG A 30 0.993 -6.625 -0.737 1.00 0.00 H new ATOM 0 HA ARG A 30 0.542 -8.827 -2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.921 -7.741 -2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.899 -8.627 -0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.000 -10.305 -3.088 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.609 -9.666 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.787 -10.997 -0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.500 -11.891 -2.059 1.00 0.00 H new ATOM 0 HE ARG A 30 5.166 -9.565 -1.463 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.369 -12.840 -1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.316 -13.078 -0.143 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.832 -9.808 0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.575 -11.377 1.322 1.00 0.00 H new ATOM 393 N VAL A 31 0.585 -10.634 -0.736 1.00 0.00 N ATOM 394 CA VAL A 31 0.080 -11.528 0.344 1.00 0.00 C ATOM 395 C VAL A 31 0.858 -12.845 0.317 1.00 0.00 C ATOM 396 O VAL A 31 1.208 -13.349 -0.732 1.00 0.00 O ATOM 397 CB VAL A 31 -1.408 -11.808 0.119 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.856 -12.957 1.025 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.217 -10.553 0.456 1.00 0.00 C ATOM 0 H VAL A 31 1.045 -11.109 -1.513 1.00 0.00 H new ATOM 0 HA VAL A 31 0.216 -11.045 1.312 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.572 -12.082 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.916 -13.155 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.279 -13.852 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.692 -12.683 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.277 -10.750 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.051 -10.282 1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.900 -9.732 -0.187 1.00 0.00 H new ATOM 409 N VAL A 32 1.133 -13.409 1.462 1.00 0.00 N ATOM 410 CA VAL A 32 1.890 -14.692 1.499 1.00 0.00 C ATOM 411 C VAL A 32 1.134 -15.705 2.360 1.00 0.00 C ATOM 412 O VAL A 32 1.688 -16.303 3.262 1.00 0.00 O ATOM 413 CB VAL A 32 3.277 -14.448 2.094 1.00 0.00 C ATOM 414 CG1 VAL A 32 4.209 -15.597 1.706 1.00 0.00 C ATOM 415 CG2 VAL A 32 3.839 -13.132 1.553 1.00 0.00 C ATOM 0 H VAL A 32 0.866 -13.036 2.373 1.00 0.00 H new ATOM 0 HA VAL A 32 1.994 -15.083 0.487 1.00 0.00 H new ATOM 0 HB VAL A 32 3.201 -14.393 3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.198 -15.423 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.809 -16.535 2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.285 -15.653 0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.828 -12.957 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.914 -13.188 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.176 -12.312 1.829 1.00 0.00 H new ATOM 425 N LYS A 33 -0.127 -15.903 2.091 1.00 0.00 N ATOM 426 CA LYS A 33 -0.917 -16.878 2.895 1.00 0.00 C ATOM 427 C LYS A 33 -0.673 -16.629 4.384 1.00 0.00 C ATOM 428 O LYS A 33 -0.221 -17.499 5.102 1.00 0.00 O ATOM 429 CB LYS A 33 -0.486 -18.302 2.539 1.00 0.00 C ATOM 430 CG LYS A 33 -0.862 -18.603 1.087 1.00 0.00 C ATOM 431 CD LYS A 33 -0.027 -19.778 0.575 1.00 0.00 C ATOM 432 CE LYS A 33 -0.909 -20.708 -0.260 1.00 0.00 C ATOM 433 NZ LYS A 33 -1.000 -22.038 0.406 1.00 0.00 N ATOM 0 H LYS A 33 -0.645 -15.432 1.349 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.977 -16.754 2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.589 -18.413 2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.968 -19.016 3.206 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.924 -18.840 1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.690 -17.724 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.805 -19.411 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.403 -20.325 1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.904 -20.278 -0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.493 -20.819 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.600 -22.670 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.048 -22.449 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.416 -21.925 1.353 1.00 0.00 H new ATOM 447 N GLY A 34 -0.966 -15.448 4.854 1.00 0.00 N ATOM 448 CA GLY A 34 -0.750 -15.145 6.297 1.00 0.00 C ATOM 449 C GLY A 34 0.083 -13.870 6.434 1.00 0.00 C ATOM 450 O GLY A 34 0.191 -13.300 7.501 1.00 0.00 O ATOM 0 H GLY A 34 -1.346 -14.679 4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.709 -15.021 6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.241 -15.978 6.782 1.00 0.00 H new ATOM 454 N LYS A 35 0.672 -13.417 5.362 1.00 0.00 N ATOM 455 CA LYS A 35 1.496 -12.178 5.432 1.00 0.00 C ATOM 456 C LYS A 35 0.990 -11.169 4.400 1.00 0.00 C ATOM 457 O LYS A 35 1.389 -11.186 3.253 1.00 0.00 O ATOM 458 CB LYS A 35 2.958 -12.519 5.136 1.00 0.00 C ATOM 459 CG LYS A 35 3.387 -13.713 5.992 1.00 0.00 C ATOM 460 CD LYS A 35 4.911 -13.719 6.129 1.00 0.00 C ATOM 461 CE LYS A 35 5.307 -13.089 7.466 1.00 0.00 C ATOM 462 NZ LYS A 35 5.584 -14.164 8.459 1.00 0.00 N ATOM 0 H LYS A 35 0.618 -13.851 4.441 1.00 0.00 H new ATOM 0 HA LYS A 35 1.418 -11.747 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.081 -12.753 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.593 -11.659 5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.923 -13.654 6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.048 -14.643 5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.288 -14.740 6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.363 -13.165 5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.189 -12.462 7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.507 -12.443 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.853 -13.736 9.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.731 -14.745 8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.361 -14.763 8.115 1.00 0.00 H new ATOM 476 N VAL A 36 0.115 -10.286 4.800 1.00 0.00 N ATOM 477 CA VAL A 36 -0.414 -9.276 3.841 1.00 0.00 C ATOM 478 C VAL A 36 0.568 -8.106 3.745 1.00 0.00 C ATOM 479 O VAL A 36 0.676 -7.299 4.646 1.00 0.00 O ATOM 480 CB VAL A 36 -1.769 -8.766 4.333 1.00 0.00 C ATOM 481 CG1 VAL A 36 -2.202 -7.568 3.487 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.809 -9.882 4.206 1.00 0.00 C ATOM 0 H VAL A 36 -0.255 -10.221 5.748 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.534 -9.733 2.859 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.686 -8.462 5.376 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.168 -7.205 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.461 -6.773 3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.286 -7.871 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.776 -9.520 4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.892 -10.185 3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.501 -10.736 4.809 1.00 0.00 H new ATOM 492 N GLU A 37 1.284 -8.008 2.659 1.00 0.00 N ATOM 493 CA GLU A 37 2.258 -6.891 2.508 1.00 0.00 C ATOM 494 C GLU A 37 1.582 -5.717 1.797 1.00 0.00 C ATOM 495 O GLU A 37 0.429 -5.789 1.420 1.00 0.00 O ATOM 496 CB GLU A 37 3.455 -7.367 1.682 1.00 0.00 C ATOM 497 CG GLU A 37 4.678 -7.508 2.590 1.00 0.00 C ATOM 498 CD GLU A 37 4.786 -8.952 3.080 1.00 0.00 C ATOM 499 OE1 GLU A 37 4.057 -9.787 2.569 1.00 0.00 O ATOM 500 OE2 GLU A 37 5.596 -9.202 3.958 1.00 0.00 O ATOM 0 H GLU A 37 1.237 -8.653 1.870 1.00 0.00 H new ATOM 0 HA GLU A 37 2.600 -6.571 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.227 -8.323 1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.663 -6.657 0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.581 -7.228 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.594 -6.830 3.439 1.00 0.00 H new ATOM 507 N TYR A 38 2.288 -4.635 1.614 1.00 0.00 N ATOM 508 CA TYR A 38 1.682 -3.458 0.930 1.00 0.00 C ATOM 509 C TYR A 38 2.780 -2.642 0.244 1.00 0.00 C ATOM 510 O TYR A 38 3.673 -2.124 0.883 1.00 0.00 O ATOM 511 CB TYR A 38 0.966 -2.585 1.961 1.00 0.00 C ATOM 512 CG TYR A 38 -0.423 -3.123 2.201 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.399 -3.016 1.202 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.736 -3.733 3.424 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.688 -3.516 1.424 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.026 -4.233 3.647 1.00 0.00 C ATOM 517 CZ TYR A 38 -3.002 -4.125 2.647 1.00 0.00 C ATOM 518 OH TYR A 38 -4.272 -4.618 2.866 1.00 0.00 O ATOM 0 H TYR A 38 3.257 -4.515 1.908 1.00 0.00 H new ATOM 0 HA TYR A 38 0.966 -3.801 0.183 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.528 -2.572 2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.912 -1.556 1.607 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.157 -2.547 0.260 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.017 -3.817 4.194 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.440 -3.432 0.653 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.268 -4.702 4.589 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.321 -5.009 3.763 1.00 0.00 H new ATOM 528 N LEU A 39 2.716 -2.520 -1.054 1.00 0.00 N ATOM 529 CA LEU A 39 3.754 -1.734 -1.779 1.00 0.00 C ATOM 530 C LEU A 39 3.358 -0.256 -1.779 1.00 0.00 C ATOM 531 O LEU A 39 2.258 0.101 -2.149 1.00 0.00 O ATOM 532 CB LEU A 39 3.859 -2.234 -3.221 1.00 0.00 C ATOM 533 CG LEU A 39 4.916 -1.421 -3.969 1.00 0.00 C ATOM 534 CD1 LEU A 39 5.721 -2.347 -4.883 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.226 -0.348 -4.812 1.00 0.00 C ATOM 0 H LEU A 39 1.991 -2.930 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 39 4.717 -1.855 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.124 -3.291 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.894 -2.142 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 39 5.586 -0.948 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.474 -1.767 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.211 -3.114 -4.283 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.052 -2.820 -5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.977 0.233 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.557 -0.823 -5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.651 0.312 -4.162 1.00 0.00 H new ATOM 547 N LEU A 40 4.245 0.606 -1.362 1.00 0.00 N ATOM 548 CA LEU A 40 3.913 2.058 -1.337 1.00 0.00 C ATOM 549 C LEU A 40 5.070 2.863 -1.935 1.00 0.00 C ATOM 550 O LEU A 40 6.134 2.338 -2.198 1.00 0.00 O ATOM 551 CB LEU A 40 3.681 2.503 0.109 1.00 0.00 C ATOM 552 CG LEU A 40 2.988 1.382 0.885 1.00 0.00 C ATOM 553 CD1 LEU A 40 4.028 0.596 1.687 1.00 0.00 C ATOM 554 CD2 LEU A 40 1.959 1.986 1.842 1.00 0.00 C ATOM 0 H LEU A 40 5.183 0.368 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 40 3.011 2.231 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.632 2.752 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.069 3.405 0.129 1.00 0.00 H new ATOM 0 HG LEU A 40 2.487 0.713 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.534 -0.203 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.763 0.165 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.529 1.265 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.464 1.188 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.461 2.655 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.217 2.546 1.273 1.00 0.00 H new ATOM 566 N LYS A 41 4.869 4.134 -2.152 1.00 0.00 N ATOM 567 CA LYS A 41 5.954 4.975 -2.730 1.00 0.00 C ATOM 568 C LYS A 41 6.693 5.691 -1.599 1.00 0.00 C ATOM 569 O LYS A 41 6.164 5.882 -0.522 1.00 0.00 O ATOM 570 CB LYS A 41 5.349 6.009 -3.681 1.00 0.00 C ATOM 571 CG LYS A 41 6.471 6.797 -4.360 1.00 0.00 C ATOM 572 CD LYS A 41 6.114 7.035 -5.828 1.00 0.00 C ATOM 573 CE LYS A 41 6.271 8.521 -6.157 1.00 0.00 C ATOM 574 NZ LYS A 41 4.925 9.133 -6.348 1.00 0.00 N ATOM 0 H LYS A 41 3.998 4.627 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 41 6.651 4.344 -3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.734 5.512 -4.431 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.696 6.686 -3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.619 7.750 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.410 6.248 -4.288 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.761 6.439 -6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.090 6.715 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.802 9.029 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.869 8.643 -7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.028 10.156 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.461 8.701 -7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.346 8.969 -5.500 1.00 0.00 H new ATOM 588 N TRP A 42 7.914 6.088 -1.834 1.00 0.00 N ATOM 589 CA TRP A 42 8.687 6.787 -0.771 1.00 0.00 C ATOM 590 C TRP A 42 8.984 8.222 -1.207 1.00 0.00 C ATOM 591 O TRP A 42 9.787 8.459 -2.088 1.00 0.00 O ATOM 592 CB TRP A 42 10.000 6.038 -0.525 1.00 0.00 C ATOM 593 CG TRP A 42 9.692 4.703 0.069 1.00 0.00 C ATOM 594 CD1 TRP A 42 10.178 3.519 -0.369 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.826 4.398 1.198 1.00 0.00 C ATOM 596 NE1 TRP A 42 9.663 2.506 0.423 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.823 2.999 1.402 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.051 5.198 2.054 1.00 0.00 C ATOM 599 CZ2 TRP A 42 8.072 2.413 2.423 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.294 4.616 3.083 1.00 0.00 C ATOM 601 CH2 TRP A 42 7.302 3.224 3.267 1.00 0.00 C ATOM 0 H TRP A 42 8.409 5.958 -2.716 1.00 0.00 H new ATOM 0 HA TRP A 42 8.103 6.809 0.149 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.546 5.917 -1.461 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.640 6.610 0.146 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.856 3.386 -1.199 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.878 1.517 0.298 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.037 6.269 1.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.085 1.342 2.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.703 5.241 3.736 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.716 2.779 4.058 1.00 0.00 H new ATOM 612 N LYS A 43 8.342 9.183 -0.596 1.00 0.00 N ATOM 613 CA LYS A 43 8.594 10.601 -0.981 1.00 0.00 C ATOM 614 C LYS A 43 9.791 11.137 -0.192 1.00 0.00 C ATOM 615 O LYS A 43 10.027 12.328 -0.133 1.00 0.00 O ATOM 616 CB LYS A 43 7.355 11.456 -0.686 1.00 0.00 C ATOM 617 CG LYS A 43 6.723 11.029 0.640 1.00 0.00 C ATOM 618 CD LYS A 43 5.653 12.048 1.043 1.00 0.00 C ATOM 619 CE LYS A 43 4.579 12.116 -0.043 1.00 0.00 C ATOM 620 NZ LYS A 43 4.698 13.407 -0.778 1.00 0.00 N ATOM 0 H LYS A 43 7.658 9.048 0.149 1.00 0.00 H new ATOM 0 HA LYS A 43 8.809 10.649 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.633 12.509 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.630 11.350 -1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.279 10.038 0.542 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.487 10.961 1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.205 11.764 1.995 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.105 13.030 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.691 11.280 -0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.589 12.029 0.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.968 13.454 -1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.571 14.197 -0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.639 13.471 -1.216 1.00 0.00 H new ATOM 634 N GLY A 44 10.554 10.265 0.409 1.00 0.00 N ATOM 635 CA GLY A 44 11.741 10.718 1.187 1.00 0.00 C ATOM 636 C GLY A 44 12.993 10.041 0.629 1.00 0.00 C ATOM 637 O GLY A 44 13.992 10.680 0.361 1.00 0.00 O ATOM 0 H GLY A 44 10.406 9.256 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.840 11.802 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.617 10.469 2.241 1.00 0.00 H new ATOM 641 N PHE A 45 12.945 8.750 0.444 1.00 0.00 N ATOM 642 CA PHE A 45 14.127 8.027 -0.102 1.00 0.00 C ATOM 643 C PHE A 45 13.966 7.869 -1.614 1.00 0.00 C ATOM 644 O PHE A 45 13.005 7.296 -2.087 1.00 0.00 O ATOM 645 CB PHE A 45 14.226 6.645 0.547 1.00 0.00 C ATOM 646 CG PHE A 45 14.213 6.792 2.049 1.00 0.00 C ATOM 647 CD1 PHE A 45 15.202 7.553 2.687 1.00 0.00 C ATOM 648 CD2 PHE A 45 13.213 6.167 2.807 1.00 0.00 C ATOM 649 CE1 PHE A 45 15.190 7.691 4.081 1.00 0.00 C ATOM 650 CE2 PHE A 45 13.201 6.305 4.201 1.00 0.00 C ATOM 651 CZ PHE A 45 14.190 7.066 4.838 1.00 0.00 C ATOM 0 H PHE A 45 12.136 8.164 0.648 1.00 0.00 H new ATOM 0 HA PHE A 45 15.033 8.593 0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.393 6.020 0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.141 6.146 0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.974 8.033 2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.452 5.579 2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.951 8.279 4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.429 5.825 4.785 1.00 0.00 H new ATOM 0 HZ PHE A 45 14.182 7.171 5.913 1.00 0.00 H new ATOM 661 N SER A 46 14.895 8.373 -2.378 1.00 0.00 N ATOM 662 CA SER A 46 14.786 8.250 -3.858 1.00 0.00 C ATOM 663 C SER A 46 13.415 8.763 -4.306 1.00 0.00 C ATOM 664 O SER A 46 12.866 9.678 -3.725 1.00 0.00 O ATOM 665 CB SER A 46 14.943 6.783 -4.259 1.00 0.00 C ATOM 666 OG SER A 46 13.713 6.104 -4.045 1.00 0.00 O ATOM 0 H SER A 46 15.724 8.864 -2.042 1.00 0.00 H new ATOM 0 HA SER A 46 15.569 8.839 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.235 6.710 -5.307 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.736 6.317 -3.674 1.00 0.00 H new ATOM 0 HG SER A 46 13.515 6.080 -3.085 1.00 0.00 H new ATOM 672 N ASP A 47 12.856 8.182 -5.332 1.00 0.00 N ATOM 673 CA ASP A 47 11.521 8.641 -5.808 1.00 0.00 C ATOM 674 C ASP A 47 10.692 7.434 -6.247 1.00 0.00 C ATOM 675 O ASP A 47 9.710 7.567 -6.952 1.00 0.00 O ATOM 676 CB ASP A 47 11.700 9.595 -6.992 1.00 0.00 C ATOM 677 CG ASP A 47 12.478 10.830 -6.538 1.00 0.00 C ATOM 678 OD1 ASP A 47 12.092 11.418 -5.541 1.00 0.00 O ATOM 679 OD2 ASP A 47 13.447 11.171 -7.198 1.00 0.00 O ATOM 0 H ASP A 47 13.265 7.411 -5.860 1.00 0.00 H new ATOM 0 HA ASP A 47 11.007 9.159 -4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.233 9.093 -7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.727 9.889 -7.386 1.00 0.00 H new ATOM 684 N GLU A 48 11.077 6.258 -5.837 1.00 0.00 N ATOM 685 CA GLU A 48 10.311 5.043 -6.230 1.00 0.00 C ATOM 686 C GLU A 48 11.125 3.795 -5.886 1.00 0.00 C ATOM 687 O GLU A 48 11.673 3.142 -6.751 1.00 0.00 O ATOM 688 CB GLU A 48 10.038 5.075 -7.736 1.00 0.00 C ATOM 689 CG GLU A 48 11.305 5.507 -8.476 1.00 0.00 C ATOM 690 CD GLU A 48 11.089 5.362 -9.985 1.00 0.00 C ATOM 691 OE1 GLU A 48 9.960 5.123 -10.381 1.00 0.00 O ATOM 692 OE2 GLU A 48 12.056 5.493 -10.716 1.00 0.00 O ATOM 0 H GLU A 48 11.890 6.086 -5.246 1.00 0.00 H new ATOM 0 HA GLU A 48 9.364 5.020 -5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.721 4.090 -8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.224 5.766 -7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.548 6.541 -8.230 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.150 4.897 -8.158 1.00 0.00 H new ATOM 699 N ASP A 49 11.210 3.458 -4.628 1.00 0.00 N ATOM 700 CA ASP A 49 11.989 2.253 -4.231 1.00 0.00 C ATOM 701 C ASP A 49 11.065 1.034 -4.211 1.00 0.00 C ATOM 702 O ASP A 49 11.508 -0.095 -4.299 1.00 0.00 O ATOM 703 CB ASP A 49 12.585 2.470 -2.840 1.00 0.00 C ATOM 704 CG ASP A 49 13.902 1.698 -2.722 1.00 0.00 C ATOM 705 OD1 ASP A 49 14.576 1.559 -3.729 1.00 0.00 O ATOM 706 OD2 ASP A 49 14.213 1.259 -1.626 1.00 0.00 O ATOM 0 H ASP A 49 10.773 3.966 -3.859 1.00 0.00 H new ATOM 0 HA ASP A 49 12.793 2.084 -4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.757 3.533 -2.668 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.884 2.133 -2.076 1.00 0.00 H new ATOM 711 N ASN A 50 9.783 1.251 -4.100 1.00 0.00 N ATOM 712 CA ASN A 50 8.831 0.106 -4.079 1.00 0.00 C ATOM 713 C ASN A 50 9.192 -0.845 -2.936 1.00 0.00 C ATOM 714 O ASN A 50 10.054 -1.691 -3.069 1.00 0.00 O ATOM 715 CB ASN A 50 8.909 -0.645 -5.410 1.00 0.00 C ATOM 716 CG ASN A 50 8.044 0.069 -6.449 1.00 0.00 C ATOM 717 OD1 ASN A 50 8.008 1.374 -6.466 1.00 0.00 O flip ATOM 718 ND2 ASN A 50 7.393 -0.566 -7.256 1.00 0.00 N flip ATOM 0 H ASN A 50 9.354 2.173 -4.023 1.00 0.00 H new ATOM 0 HA ASN A 50 7.819 0.481 -3.929 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.943 -0.693 -5.753 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.568 -1.672 -5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.420 -1.586 -7.244 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.820 -0.079 -7.945 1.00 0.00 H new ATOM 725 N THR A 51 8.536 -0.716 -1.816 1.00 0.00 N ATOM 726 CA THR A 51 8.838 -1.614 -0.668 1.00 0.00 C ATOM 727 C THR A 51 7.541 -2.258 -0.177 1.00 0.00 C ATOM 728 O THR A 51 6.488 -1.653 -0.202 1.00 0.00 O ATOM 729 CB THR A 51 9.466 -0.802 0.467 1.00 0.00 C ATOM 730 OG1 THR A 51 10.745 -0.335 0.060 1.00 0.00 O ATOM 731 CG2 THR A 51 9.613 -1.683 1.708 1.00 0.00 C ATOM 0 H THR A 51 7.803 -0.027 -1.647 1.00 0.00 H new ATOM 0 HA THR A 51 9.535 -2.390 -0.985 1.00 0.00 H new ATOM 0 HB THR A 51 8.826 0.048 0.703 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.214 0.047 0.831 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.060 -1.103 2.515 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.631 -2.040 2.019 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.252 -2.535 1.476 1.00 0.00 H new ATOM 739 N TRP A 52 7.607 -3.483 0.267 1.00 0.00 N ATOM 740 CA TRP A 52 6.376 -4.166 0.757 1.00 0.00 C ATOM 741 C TRP A 52 6.434 -4.296 2.279 1.00 0.00 C ATOM 742 O TRP A 52 7.304 -4.945 2.824 1.00 0.00 O ATOM 743 CB TRP A 52 6.283 -5.557 0.128 1.00 0.00 C ATOM 744 CG TRP A 52 6.253 -5.430 -1.361 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.344 -5.369 -2.161 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.097 -5.345 -2.246 1.00 0.00 C ATOM 747 NE1 TRP A 52 6.930 -5.253 -3.472 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.562 -5.232 -3.576 1.00 0.00 C ATOM 749 CE3 TRP A 52 3.705 -5.352 -2.029 1.00 0.00 C ATOM 750 CZ2 TRP A 52 4.689 -5.133 -4.651 1.00 0.00 C ATOM 751 CZ3 TRP A 52 2.816 -5.251 -3.114 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.308 -5.142 -4.424 1.00 0.00 C ATOM 0 H TRP A 52 8.460 -4.041 0.312 1.00 0.00 H new ATOM 0 HA TRP A 52 5.500 -3.581 0.478 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.135 -6.164 0.435 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.386 -6.067 0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.371 -5.405 -1.827 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.565 -5.190 -4.268 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.319 -5.435 -1.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.073 -5.050 -5.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.750 -5.257 -2.939 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.622 -5.065 -5.255 1.00 0.00 H new ATOM 763 N GLU A 53 5.514 -3.681 2.972 1.00 0.00 N ATOM 764 CA GLU A 53 5.517 -3.769 4.459 1.00 0.00 C ATOM 765 C GLU A 53 4.290 -4.557 4.926 1.00 0.00 C ATOM 766 O GLU A 53 3.258 -4.532 4.284 1.00 0.00 O ATOM 767 CB GLU A 53 5.474 -2.360 5.054 1.00 0.00 C ATOM 768 CG GLU A 53 6.723 -1.585 4.623 1.00 0.00 C ATOM 769 CD GLU A 53 7.973 -2.324 5.101 1.00 0.00 C ATOM 770 OE1 GLU A 53 8.430 -3.200 4.385 1.00 0.00 O ATOM 771 OE2 GLU A 53 8.454 -2.001 6.175 1.00 0.00 O ATOM 0 H GLU A 53 4.761 -3.122 2.572 1.00 0.00 H new ATOM 0 HA GLU A 53 6.423 -4.276 4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.577 -1.840 4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.424 -2.414 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.742 -1.480 3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.701 -0.578 5.040 1.00 0.00 H new ATOM 778 N PRO A 54 4.442 -5.235 6.034 1.00 0.00 N ATOM 779 CA PRO A 54 3.364 -6.047 6.624 1.00 0.00 C ATOM 780 C PRO A 54 2.362 -5.152 7.360 1.00 0.00 C ATOM 781 O PRO A 54 2.721 -4.146 7.938 1.00 0.00 O ATOM 782 CB PRO A 54 4.101 -6.963 7.605 1.00 0.00 C ATOM 783 CG PRO A 54 5.437 -6.256 7.942 1.00 0.00 C ATOM 784 CD PRO A 54 5.704 -5.254 6.802 1.00 0.00 C ATOM 0 HA PRO A 54 2.788 -6.600 5.882 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.509 -7.124 8.506 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.281 -7.943 7.162 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.373 -5.743 8.902 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.249 -6.979 8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.949 -4.265 7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.543 -5.570 6.182 1.00 0.00 H new ATOM 792 N GLU A 55 1.107 -5.511 7.342 1.00 0.00 N ATOM 793 CA GLU A 55 0.084 -4.683 8.038 1.00 0.00 C ATOM 794 C GLU A 55 0.193 -4.898 9.550 1.00 0.00 C ATOM 795 O GLU A 55 -0.493 -4.265 10.327 1.00 0.00 O ATOM 796 CB GLU A 55 -1.312 -5.090 7.564 1.00 0.00 C ATOM 797 CG GLU A 55 -1.656 -6.473 8.119 1.00 0.00 C ATOM 798 CD GLU A 55 -2.938 -6.985 7.457 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.360 -6.382 6.483 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.474 -7.971 7.934 1.00 0.00 O ATOM 0 H GLU A 55 0.747 -6.343 6.875 1.00 0.00 H new ATOM 0 HA GLU A 55 0.253 -3.631 7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.048 -4.359 7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.348 -5.104 6.475 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.836 -7.166 7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.788 -6.420 9.200 1.00 0.00 H new ATOM 807 N GLU A 56 1.051 -5.787 9.974 1.00 0.00 N ATOM 808 CA GLU A 56 1.201 -6.040 11.434 1.00 0.00 C ATOM 809 C GLU A 56 2.145 -4.998 12.039 1.00 0.00 C ATOM 810 O GLU A 56 2.548 -5.100 13.182 1.00 0.00 O ATOM 811 CB GLU A 56 1.779 -7.440 11.652 1.00 0.00 C ATOM 812 CG GLU A 56 1.091 -8.428 10.709 1.00 0.00 C ATOM 813 CD GLU A 56 0.447 -9.550 11.525 1.00 0.00 C ATOM 814 OE1 GLU A 56 -0.398 -9.245 12.352 1.00 0.00 O ATOM 815 OE2 GLU A 56 0.810 -10.694 11.311 1.00 0.00 O ATOM 0 H GLU A 56 1.654 -6.348 9.372 1.00 0.00 H new ATOM 0 HA GLU A 56 0.226 -5.970 11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.853 -7.434 11.469 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.634 -7.748 12.688 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.334 -7.914 10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.816 -8.843 10.009 1.00 0.00 H new ATOM 822 N ASN A 57 2.500 -3.995 11.284 1.00 0.00 N ATOM 823 CA ASN A 57 3.417 -2.949 11.815 1.00 0.00 C ATOM 824 C ASN A 57 3.062 -1.597 11.193 1.00 0.00 C ATOM 825 O ASN A 57 3.054 -0.580 11.858 1.00 0.00 O ATOM 826 CB ASN A 57 4.862 -3.308 11.461 1.00 0.00 C ATOM 827 CG ASN A 57 5.450 -4.201 12.554 1.00 0.00 C ATOM 828 OD1 ASN A 57 6.091 -3.722 13.467 1.00 0.00 O ATOM 829 ND2 ASN A 57 5.257 -5.491 12.500 1.00 0.00 N ATOM 0 H ASN A 57 2.194 -3.855 10.321 1.00 0.00 H new ATOM 0 HA ASN A 57 3.312 -2.891 12.898 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.895 -3.822 10.500 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.458 -2.401 11.358 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.645 -6.095 13.224 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.719 -5.894 11.733 1.00 0.00 H new ATOM 836 N LEU A 58 2.767 -1.579 9.923 1.00 0.00 N ATOM 837 CA LEU A 58 2.413 -0.293 9.258 1.00 0.00 C ATOM 838 C LEU A 58 1.265 0.375 10.017 1.00 0.00 C ATOM 839 O LEU A 58 0.207 -0.196 10.192 1.00 0.00 O ATOM 840 CB LEU A 58 1.978 -0.569 7.817 1.00 0.00 C ATOM 841 CG LEU A 58 3.094 -0.153 6.859 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.728 -0.575 5.434 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.271 1.366 6.911 1.00 0.00 C ATOM 0 H LEU A 58 2.756 -2.399 9.316 1.00 0.00 H new ATOM 0 HA LEU A 58 3.280 0.367 9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.752 -1.628 7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.065 -0.019 7.590 1.00 0.00 H new ATOM 0 HG LEU A 58 4.025 -0.638 7.154 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.524 -0.278 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.602 -1.657 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.797 -0.091 5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.067 1.663 6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.340 1.851 6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.532 1.667 7.925 1.00 0.00 H new ATOM 855 N ASP A 59 1.465 1.584 10.469 1.00 0.00 N ATOM 856 CA ASP A 59 0.384 2.288 11.214 1.00 0.00 C ATOM 857 C ASP A 59 -0.374 3.212 10.258 1.00 0.00 C ATOM 858 O ASP A 59 -0.646 4.354 10.568 1.00 0.00 O ATOM 859 CB ASP A 59 0.999 3.117 12.344 1.00 0.00 C ATOM 860 CG ASP A 59 2.113 4.002 11.781 1.00 0.00 C ATOM 861 OD1 ASP A 59 1.964 4.468 10.664 1.00 0.00 O ATOM 862 OD2 ASP A 59 3.095 4.199 12.479 1.00 0.00 O ATOM 0 H ASP A 59 2.329 2.113 10.354 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.305 1.555 11.635 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.233 3.734 12.815 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.398 2.459 13.116 1.00 0.00 H new ATOM 867 N CYS A 60 -0.716 2.725 9.096 1.00 0.00 N ATOM 868 CA CYS A 60 -1.454 3.576 8.121 1.00 0.00 C ATOM 869 C CYS A 60 -2.635 2.788 7.545 1.00 0.00 C ATOM 870 O CYS A 60 -2.535 2.215 6.478 1.00 0.00 O ATOM 871 CB CYS A 60 -0.513 3.986 6.987 1.00 0.00 C ATOM 872 SG CYS A 60 0.371 5.495 7.452 1.00 0.00 S ATOM 0 H CYS A 60 -0.516 1.776 8.781 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.825 4.468 8.626 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.197 3.185 6.782 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.080 4.152 6.071 1.00 0.00 H new ATOM 0 HG CYS A 60 1.442 5.612 6.725 1.00 0.00 H new ATOM 878 N PRO A 61 -3.723 2.788 8.274 1.00 0.00 N ATOM 879 CA PRO A 61 -4.949 2.082 7.867 1.00 0.00 C ATOM 880 C PRO A 61 -5.693 2.889 6.799 1.00 0.00 C ATOM 881 O PRO A 61 -6.672 2.440 6.237 1.00 0.00 O ATOM 882 CB PRO A 61 -5.764 2.001 9.160 1.00 0.00 C ATOM 883 CG PRO A 61 -5.240 3.135 10.076 1.00 0.00 C ATOM 884 CD PRO A 61 -3.829 3.492 9.568 1.00 0.00 C ATOM 0 HA PRO A 61 -4.758 1.101 7.431 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.828 2.125 8.957 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.642 1.028 9.637 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.898 4.003 10.034 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.207 2.810 11.116 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.710 4.569 9.447 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.059 3.162 10.265 1.00 0.00 H new ATOM 892 N ASP A 62 -5.232 4.076 6.515 1.00 0.00 N ATOM 893 CA ASP A 62 -5.907 4.910 5.485 1.00 0.00 C ATOM 894 C ASP A 62 -5.287 4.623 4.116 1.00 0.00 C ATOM 895 O ASP A 62 -5.962 4.620 3.106 1.00 0.00 O ATOM 896 CB ASP A 62 -5.725 6.390 5.828 1.00 0.00 C ATOM 897 CG ASP A 62 -6.557 7.245 4.869 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.202 6.673 4.007 1.00 0.00 O ATOM 899 OD2 ASP A 62 -6.534 8.455 5.014 1.00 0.00 O ATOM 0 H ASP A 62 -4.416 4.503 6.953 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.970 4.672 5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.033 6.576 6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.672 6.664 5.756 1.00 0.00 H new ATOM 904 N LEU A 63 -4.007 4.374 4.076 1.00 0.00 N ATOM 905 CA LEU A 63 -3.347 4.083 2.779 1.00 0.00 C ATOM 906 C LEU A 63 -3.717 2.668 2.346 1.00 0.00 C ATOM 907 O LEU A 63 -3.916 2.393 1.180 1.00 0.00 O ATOM 908 CB LEU A 63 -1.831 4.184 2.953 1.00 0.00 C ATOM 909 CG LEU A 63 -1.406 5.656 2.994 1.00 0.00 C ATOM 910 CD1 LEU A 63 -1.397 6.225 1.575 1.00 0.00 C ATOM 911 CD2 LEU A 63 -2.383 6.460 3.858 1.00 0.00 C ATOM 0 H LEU A 63 -3.391 4.360 4.889 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.673 4.798 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.528 3.684 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.327 3.674 2.132 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.407 5.726 3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.095 7.272 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.694 5.662 0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.396 6.148 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.073 7.505 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.386 6.388 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.386 6.060 4.872 1.00 0.00 H new ATOM 923 N ILE A 64 -3.817 1.766 3.284 1.00 0.00 N ATOM 924 CA ILE A 64 -4.179 0.370 2.931 1.00 0.00 C ATOM 925 C ILE A 64 -5.639 0.331 2.478 1.00 0.00 C ATOM 926 O ILE A 64 -5.982 -0.315 1.508 1.00 0.00 O ATOM 927 CB ILE A 64 -3.997 -0.531 4.153 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.506 -0.652 4.477 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.566 -1.919 3.855 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.334 -1.176 5.905 1.00 0.00 C ATOM 0 H ILE A 64 -3.663 1.938 4.278 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.535 0.016 2.126 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.523 -0.099 5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.023 -1.327 3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.021 0.319 4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.436 -2.560 4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.627 -1.835 3.622 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.041 -2.352 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.272 -1.262 6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.802 -0.484 6.605 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.805 -2.155 5.992 1.00 0.00 H new ATOM 942 N ALA A 65 -6.501 1.024 3.173 1.00 0.00 N ATOM 943 CA ALA A 65 -7.939 1.032 2.784 1.00 0.00 C ATOM 944 C ALA A 65 -8.174 2.105 1.719 1.00 0.00 C ATOM 945 O ALA A 65 -9.287 2.329 1.286 1.00 0.00 O ATOM 946 CB ALA A 65 -8.796 1.338 4.014 1.00 0.00 C ATOM 0 H ALA A 65 -6.270 1.585 3.993 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.213 0.056 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.849 1.344 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.629 0.574 4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.522 2.314 4.415 1.00 0.00 H new ATOM 952 N GLU A 66 -7.135 2.771 1.290 1.00 0.00 N ATOM 953 CA GLU A 66 -7.308 3.825 0.252 1.00 0.00 C ATOM 954 C GLU A 66 -6.938 3.251 -1.117 1.00 0.00 C ATOM 955 O GLU A 66 -7.387 3.724 -2.142 1.00 0.00 O ATOM 956 CB GLU A 66 -6.399 5.014 0.572 1.00 0.00 C ATOM 957 CG GLU A 66 -6.331 5.948 -0.638 1.00 0.00 C ATOM 958 CD GLU A 66 -6.109 7.385 -0.161 1.00 0.00 C ATOM 959 OE1 GLU A 66 -7.085 8.034 0.178 1.00 0.00 O ATOM 960 OE2 GLU A 66 -4.966 7.813 -0.141 1.00 0.00 O ATOM 0 H GLU A 66 -6.178 2.630 1.613 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.346 4.159 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.780 5.553 1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.400 4.662 0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.521 5.644 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.254 5.883 -1.213 1.00 0.00 H new ATOM 967 N PHE A 67 -6.120 2.234 -1.142 1.00 0.00 N ATOM 968 CA PHE A 67 -5.722 1.632 -2.445 1.00 0.00 C ATOM 969 C PHE A 67 -6.467 0.310 -2.647 1.00 0.00 C ATOM 970 O PHE A 67 -6.543 -0.206 -3.744 1.00 0.00 O ATOM 971 CB PHE A 67 -4.214 1.372 -2.446 1.00 0.00 C ATOM 972 CG PHE A 67 -3.842 0.584 -3.678 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.031 -0.804 -3.704 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.308 1.239 -4.796 1.00 0.00 C ATOM 975 CE1 PHE A 67 -3.686 -1.538 -4.848 1.00 0.00 C ATOM 976 CE2 PHE A 67 -2.964 0.506 -5.939 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.153 -0.882 -5.965 1.00 0.00 C ATOM 0 H PHE A 67 -5.711 1.795 -0.317 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.974 2.318 -3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.671 2.317 -2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.928 0.822 -1.549 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.443 -1.309 -2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.162 2.309 -4.776 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.831 -2.608 -4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.553 1.011 -6.801 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.888 -1.446 -6.847 1.00 0.00 H new ATOM 987 N LEU A 68 -7.014 -0.245 -1.599 1.00 0.00 N ATOM 988 CA LEU A 68 -7.749 -1.533 -1.741 1.00 0.00 C ATOM 989 C LEU A 68 -9.215 -1.252 -2.082 1.00 0.00 C ATOM 990 O LEU A 68 -9.926 -2.109 -2.570 1.00 0.00 O ATOM 991 CB LEU A 68 -7.648 -2.329 -0.428 1.00 0.00 C ATOM 992 CG LEU A 68 -8.713 -1.857 0.570 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.047 -2.538 0.258 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.278 -2.230 1.989 1.00 0.00 C ATOM 0 H LEU A 68 -6.983 0.137 -0.654 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.307 -2.121 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.776 -3.392 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.655 -2.204 0.004 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.829 -0.776 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.802 -2.201 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.360 -2.280 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.931 -3.619 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.033 -1.896 2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.164 -3.312 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.327 -1.749 2.216 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.674 -0.056 -1.829 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.092 0.279 -2.139 1.00 0.00 C ATOM 1008 C GLN A 69 -11.202 0.742 -3.593 1.00 0.00 C ATOM 1009 O GLN A 69 -12.140 0.412 -4.290 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.567 1.398 -1.208 1.00 0.00 C ATOM 1011 CG GLN A 69 -12.927 1.029 -0.617 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.098 1.714 0.741 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -14.129 2.295 1.015 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -12.124 1.671 1.608 1.00 0.00 N ATOM 0 H GLN A 69 -9.128 0.703 -1.421 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.714 -0.604 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.842 1.553 -0.409 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.640 2.336 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.725 1.336 -1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.004 -0.052 -0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.258 1.183 1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.228 2.125 2.515 1.00 0.00 H new ATOM 1023 N SER A 70 -10.249 1.503 -4.056 1.00 0.00 N ATOM 1024 CA SER A 70 -10.300 1.986 -5.466 1.00 0.00 C ATOM 1025 C SER A 70 -10.187 0.793 -6.416 1.00 0.00 C ATOM 1026 O SER A 70 -10.787 0.770 -7.473 1.00 0.00 O ATOM 1027 CB SER A 70 -9.139 2.949 -5.717 1.00 0.00 C ATOM 1028 OG SER A 70 -8.662 3.445 -4.473 1.00 0.00 O ATOM 0 H SER A 70 -9.438 1.811 -3.520 1.00 0.00 H new ATOM 0 HA SER A 70 -11.244 2.502 -5.640 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.337 2.438 -6.250 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.466 3.774 -6.349 1.00 0.00 H new ATOM 0 HG SER A 70 -7.927 2.880 -4.156 1.00 0.00 H new ATOM 1034 N GLN A 71 -9.423 -0.199 -6.050 1.00 0.00 N ATOM 1035 CA GLN A 71 -9.271 -1.390 -6.933 1.00 0.00 C ATOM 1036 C GLN A 71 -10.609 -2.126 -7.030 1.00 0.00 C ATOM 1037 O GLN A 71 -10.845 -2.889 -7.946 1.00 0.00 O ATOM 1038 CB GLN A 71 -8.214 -2.328 -6.347 1.00 0.00 C ATOM 1039 CG GLN A 71 -6.853 -1.629 -6.349 1.00 0.00 C ATOM 1040 CD GLN A 71 -6.069 -2.041 -7.596 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -5.643 -1.202 -8.364 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -5.858 -3.308 -7.830 1.00 0.00 N ATOM 0 H GLN A 71 -8.897 -0.236 -5.177 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.960 -1.069 -7.927 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.488 -2.611 -5.331 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.164 -3.247 -6.932 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.988 -0.548 -6.332 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.295 -1.895 -5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.216 -4.012 -7.185 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.335 -3.594 -8.658 1.00 0.00 H new ATOM 1051 N LYS A 72 -11.487 -1.905 -6.090 1.00 0.00 N ATOM 1052 CA LYS A 72 -12.808 -2.593 -6.128 1.00 0.00 C ATOM 1053 C LYS A 72 -13.774 -1.795 -7.008 1.00 0.00 C ATOM 1054 O LYS A 72 -14.580 -2.353 -7.726 1.00 0.00 O ATOM 1055 CB LYS A 72 -13.372 -2.690 -4.709 1.00 0.00 C ATOM 1056 CG LYS A 72 -12.663 -3.815 -3.954 1.00 0.00 C ATOM 1057 CD LYS A 72 -13.010 -3.731 -2.466 1.00 0.00 C ATOM 1058 CE LYS A 72 -13.918 -4.902 -2.087 1.00 0.00 C ATOM 1059 NZ LYS A 72 -14.846 -4.479 -0.999 1.00 0.00 N ATOM 0 H LYS A 72 -11.346 -1.278 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.685 -3.595 -6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.234 -1.744 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.444 -2.881 -4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.965 -4.783 -4.354 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.585 -3.736 -4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.099 -3.755 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.509 -2.786 -2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.486 -5.232 -2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.318 -5.750 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.464 -5.275 -0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.295 -4.184 -0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.427 -3.682 -1.329 1.00 0.00 H new ATOM 1073 N THR A 73 -13.699 -0.494 -6.959 1.00 0.00 N ATOM 1074 CA THR A 73 -14.612 0.337 -7.792 1.00 0.00 C ATOM 1075 C THR A 73 -14.437 1.812 -7.426 1.00 0.00 C ATOM 1076 O THR A 73 -14.843 2.251 -6.369 1.00 0.00 O ATOM 1077 CB THR A 73 -16.061 -0.083 -7.535 1.00 0.00 C ATOM 1078 OG1 THR A 73 -16.939 0.885 -8.094 1.00 0.00 O ATOM 1079 CG2 THR A 73 -16.305 -0.188 -6.029 1.00 0.00 C ATOM 0 H THR A 73 -13.045 0.030 -6.378 1.00 0.00 H new ATOM 0 HA THR A 73 -14.373 0.193 -8.846 1.00 0.00 H new ATOM 0 HB THR A 73 -16.246 -1.052 -7.998 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.782 0.950 -9.059 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.337 -0.487 -5.848 1.00 0.00 H new ATOM 0 HG22 THR A 73 -15.632 -0.931 -5.602 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.120 0.779 -5.562 1.00 0.00 H new ATOM 1087 N ALA A 74 -13.834 2.581 -8.291 1.00 0.00 N ATOM 1088 CA ALA A 74 -13.633 4.026 -7.992 1.00 0.00 C ATOM 1089 C ALA A 74 -13.914 4.851 -9.249 1.00 0.00 C ATOM 1090 O ALA A 74 -13.551 6.007 -9.339 1.00 0.00 O ATOM 1091 CB ALA A 74 -12.190 4.257 -7.540 1.00 0.00 C ATOM 0 H ALA A 74 -13.472 2.270 -9.192 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.315 4.332 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.042 5.314 -7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.991 3.670 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.507 3.952 -8.333 1.00 0.00 H new ATOM 1097 N HIS A 75 -14.557 4.266 -10.223 1.00 0.00 N ATOM 1098 CA HIS A 75 -14.860 5.018 -11.473 1.00 0.00 C ATOM 1099 C HIS A 75 -16.051 4.372 -12.183 1.00 0.00 C ATOM 1100 O HIS A 75 -16.952 5.046 -12.642 1.00 0.00 O ATOM 1101 CB HIS A 75 -13.638 4.986 -12.396 1.00 0.00 C ATOM 1102 CG HIS A 75 -13.525 6.296 -13.125 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -12.322 6.752 -13.641 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -14.454 7.258 -13.432 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -12.558 7.941 -14.227 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -13.842 8.296 -14.128 1.00 0.00 N ATOM 0 H HIS A 75 -14.885 3.300 -10.207 1.00 0.00 H new ATOM 0 HA HIS A 75 -15.103 6.051 -11.225 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.735 4.802 -11.814 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.730 4.167 -13.110 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -15.502 7.216 -13.173 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.801 8.535 -14.717 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -14.280 9.145 -14.486 1.00 0.00 H new ATOM 1114 N GLU A 76 -16.065 3.071 -12.276 1.00 0.00 N ATOM 1115 CA GLU A 76 -17.199 2.385 -12.957 1.00 0.00 C ATOM 1116 C GLU A 76 -18.522 2.977 -12.469 1.00 0.00 C ATOM 1117 O GLU A 76 -19.353 3.394 -13.252 1.00 0.00 O ATOM 1118 CB GLU A 76 -17.160 0.890 -12.634 1.00 0.00 C ATOM 1119 CG GLU A 76 -17.390 0.084 -13.914 1.00 0.00 C ATOM 1120 CD GLU A 76 -18.837 -0.410 -13.954 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -19.718 0.413 -14.142 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -19.040 -1.602 -13.797 1.00 0.00 O ATOM 0 H GLU A 76 -15.340 2.453 -11.910 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.113 2.526 -14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.198 0.627 -12.194 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.925 0.647 -11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.181 0.702 -14.788 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.705 -0.763 -13.951 1.00 0.00 H new ATOM 1129 N THR A 77 -18.726 3.016 -11.181 1.00 0.00 N ATOM 1130 CA THR A 77 -19.997 3.581 -10.645 1.00 0.00 C ATOM 1131 C THR A 77 -19.692 4.837 -9.825 1.00 0.00 C ATOM 1132 O THR A 77 -20.570 5.623 -9.526 1.00 0.00 O ATOM 1133 CB THR A 77 -20.681 2.543 -9.752 1.00 0.00 C ATOM 1134 OG1 THR A 77 -21.573 3.201 -8.863 1.00 0.00 O ATOM 1135 CG2 THR A 77 -19.625 1.783 -8.948 1.00 0.00 C ATOM 0 H THR A 77 -18.068 2.681 -10.477 1.00 0.00 H new ATOM 0 HA THR A 77 -20.657 3.839 -11.473 1.00 0.00 H new ATOM 0 HB THR A 77 -21.237 1.840 -10.372 1.00 0.00 H new ATOM 0 HG1 THR A 77 -22.013 2.538 -8.291 1.00 0.00 H new ATOM 0 HG21 THR A 77 -20.113 1.044 -8.313 1.00 0.00 H new ATOM 0 HG22 THR A 77 -18.941 1.279 -9.631 1.00 0.00 H new ATOM 0 HG23 THR A 77 -19.067 2.483 -8.327 1.00 0.00 H new ATOM 1143 N ASP A 78 -18.455 5.032 -9.459 1.00 0.00 N ATOM 1144 CA ASP A 78 -18.096 6.237 -8.659 1.00 0.00 C ATOM 1145 C ASP A 78 -17.685 7.371 -9.599 1.00 0.00 C ATOM 1146 O ASP A 78 -16.540 7.485 -9.988 1.00 0.00 O ATOM 1147 CB ASP A 78 -16.930 5.899 -7.727 1.00 0.00 C ATOM 1148 CG ASP A 78 -17.352 4.791 -6.761 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -17.608 3.693 -7.227 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -17.414 5.059 -5.573 1.00 0.00 O ATOM 0 H ASP A 78 -17.678 4.409 -9.679 1.00 0.00 H new ATOM 0 HA ASP A 78 -18.956 6.551 -8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -16.066 5.578 -8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.627 6.786 -7.170 1.00 0.00 H new ATOM 1155 N LYS A 79 -18.612 8.213 -9.968 1.00 0.00 N ATOM 1156 CA LYS A 79 -18.275 9.339 -10.883 1.00 0.00 C ATOM 1157 C LYS A 79 -17.488 10.402 -10.113 1.00 0.00 C ATOM 1158 O LYS A 79 -17.833 10.762 -9.006 1.00 0.00 O ATOM 1159 CB LYS A 79 -19.564 9.956 -11.431 1.00 0.00 C ATOM 1160 CG LYS A 79 -20.442 8.856 -12.031 1.00 0.00 C ATOM 1161 CD LYS A 79 -21.809 9.437 -12.396 1.00 0.00 C ATOM 1162 CE LYS A 79 -22.664 8.354 -13.057 1.00 0.00 C ATOM 1163 NZ LYS A 79 -23.313 8.910 -14.278 1.00 0.00 N ATOM 0 H LYS A 79 -19.588 8.169 -9.675 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.671 8.967 -11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -20.101 10.470 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -19.328 10.702 -12.190 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -19.964 8.438 -12.917 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -20.560 8.041 -11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -22.307 9.813 -11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -21.688 10.283 -13.073 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -22.045 7.497 -13.320 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -23.422 7.998 -12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -23.894 8.174 -14.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -23.916 9.715 -14.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -22.582 9.229 -14.945 1.00 0.00 H new ATOM 1177 N SER A 80 -16.433 10.907 -10.691 1.00 0.00 N ATOM 1178 CA SER A 80 -15.626 11.947 -9.991 1.00 0.00 C ATOM 1179 C SER A 80 -15.015 11.349 -8.722 1.00 0.00 C ATOM 1180 O SER A 80 -13.884 11.689 -8.416 1.00 0.00 O ATOM 1181 CB SER A 80 -16.525 13.125 -9.619 1.00 0.00 C ATOM 1182 OG SER A 80 -16.094 14.285 -10.320 1.00 0.00 O ATOM 1183 OXT SER A 80 -15.690 10.564 -8.078 1.00 0.00 O ATOM 0 H SER A 80 -16.095 10.645 -11.617 1.00 0.00 H new ATOM 0 HA SER A 80 -14.829 12.293 -10.649 1.00 0.00 H new ATOM 0 HB2 SER A 80 -17.562 12.899 -9.869 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.487 13.301 -8.544 1.00 0.00 H new ATOM 0 HG SER A 80 -16.670 15.042 -10.085 1.00 0.00 H new TER 1189 SER A 80