USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 791 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 THR OG1 : rot -117:sc= 0.242 USER MOD Set 1.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 100 THR OG1 : rot 180:sc= 0.231 USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0588 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0598 USER MOD Single : A 5 SER OG : rot 27:sc= 0.0831 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -132:sc= -0.225 (180deg=-1.32) USER MOD Single : A 22 ASN : amide:sc= 1.01 K(o=1,f=-0.16) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0829 USER MOD Single : A 27 SER OG : rot -73:sc= 1.23 USER MOD Single : A 37 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.85) USER MOD Single : A 38 GLN : amide:sc= -0.229 K(o=-0.23,f=-0.8) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -1.99! C(o=-2!,f=-5.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0544 USER MOD Single : A 55 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.23) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 129:sc= -1.26 USER MOD Single : A 63 GLN : amide:sc= -0.624 K(o=-0.62,f=-1.4) USER MOD Single : A 65 MET CE :methyl -169:sc= -1.59 (180deg=-2.19) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 67 GLN : amide:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 71 GLN : amide:sc= -7.93! K(o=-7.9!,f=-1.8) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -10:sc= -7.73! USER MOD Single : A 78 SER OG : rot 180:sc= -0.468 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.429 K(o=-0.43,f=-1.9) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0469 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.494 0.378 3.342 1.00 0.00 N ATOM 2 CA GLY A 1 -31.603 1.791 3.653 1.00 0.00 C ATOM 3 C GLY A 1 -30.336 2.556 3.328 1.00 0.00 C ATOM 4 O GLY A 1 -29.526 2.111 2.514 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.348 0.067 2.836 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.659 0.218 2.744 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.398 -0.165 4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -32.436 2.219 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.834 1.910 4.712 1.00 0.00 H new ATOM 8 N SER A 2 -30.163 3.710 3.964 1.00 0.00 N ATOM 9 CA SER A 2 -28.987 4.541 3.734 1.00 0.00 C ATOM 10 C SER A 2 -28.192 4.727 5.023 1.00 0.00 C ATOM 11 O SER A 2 -28.716 4.539 6.121 1.00 0.00 O ATOM 12 CB SER A 2 -29.401 5.904 3.175 1.00 0.00 C ATOM 13 OG SER A 2 -28.299 6.568 2.582 1.00 0.00 O ATOM 0 H SER A 2 -30.822 4.091 4.643 1.00 0.00 H new ATOM 0 HA SER A 2 -28.352 4.035 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.191 5.773 2.436 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.812 6.519 3.975 1.00 0.00 H new ATOM 0 HG SER A 2 -28.590 7.435 2.231 1.00 0.00 H new ATOM 19 N SER A 3 -26.924 5.099 4.880 1.00 0.00 N ATOM 20 CA SER A 3 -26.055 5.307 6.032 1.00 0.00 C ATOM 21 C SER A 3 -25.709 6.785 6.191 1.00 0.00 C ATOM 22 O SER A 3 -25.717 7.320 7.299 1.00 0.00 O ATOM 23 CB SER A 3 -24.773 4.484 5.886 1.00 0.00 C ATOM 24 OG SER A 3 -23.931 5.026 4.883 1.00 0.00 O ATOM 0 H SER A 3 -26.476 5.262 3.978 1.00 0.00 H new ATOM 0 HA SER A 3 -26.589 4.978 6.923 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.242 4.460 6.838 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.025 3.453 5.636 1.00 0.00 H new ATOM 0 HG SER A 3 -23.118 4.484 4.810 1.00 0.00 H new ATOM 30 N GLY A 4 -25.404 7.438 5.074 1.00 0.00 N ATOM 31 CA GLY A 4 -25.059 8.847 5.110 1.00 0.00 C ATOM 32 C GLY A 4 -23.650 9.112 4.618 1.00 0.00 C ATOM 33 O GLY A 4 -22.819 9.648 5.351 1.00 0.00 O ATOM 0 H GLY A 4 -25.390 7.017 4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -25.766 9.407 4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.160 9.217 6.131 1.00 0.00 H new ATOM 37 N SER A 5 -23.379 8.734 3.373 1.00 0.00 N ATOM 38 CA SER A 5 -22.059 8.929 2.785 1.00 0.00 C ATOM 39 C SER A 5 -21.907 10.349 2.248 1.00 0.00 C ATOM 40 O SER A 5 -22.766 10.844 1.520 1.00 0.00 O ATOM 41 CB SER A 5 -21.824 7.918 1.660 1.00 0.00 C ATOM 42 OG SER A 5 -22.648 8.200 0.542 1.00 0.00 O ATOM 0 H SER A 5 -24.056 8.291 2.752 1.00 0.00 H new ATOM 0 HA SER A 5 -21.314 8.773 3.566 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.777 7.941 1.359 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.030 6.911 2.023 1.00 0.00 H new ATOM 0 HG SER A 5 -22.860 9.157 0.525 1.00 0.00 H new ATOM 48 N SER A 6 -20.806 10.998 2.614 1.00 0.00 N ATOM 49 CA SER A 6 -20.542 12.363 2.174 1.00 0.00 C ATOM 50 C SER A 6 -19.650 12.371 0.936 1.00 0.00 C ATOM 51 O SER A 6 -18.425 12.386 1.040 1.00 0.00 O ATOM 52 CB SER A 6 -19.882 13.165 3.297 1.00 0.00 C ATOM 53 OG SER A 6 -20.808 13.453 4.330 1.00 0.00 O ATOM 0 H SER A 6 -20.083 10.601 3.214 1.00 0.00 H new ATOM 0 HA SER A 6 -21.495 12.827 1.918 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.042 12.603 3.704 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.479 14.095 2.896 1.00 0.00 H new ATOM 0 HG SER A 6 -20.361 13.965 5.036 1.00 0.00 H new ATOM 59 N GLY A 7 -20.276 12.361 -0.237 1.00 0.00 N ATOM 60 CA GLY A 7 -19.525 12.367 -1.479 1.00 0.00 C ATOM 61 C GLY A 7 -18.835 13.693 -1.732 1.00 0.00 C ATOM 62 O GLY A 7 -19.492 14.720 -1.909 1.00 0.00 O ATOM 0 H GLY A 7 -21.290 12.349 -0.349 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.780 11.572 -1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.198 12.147 -2.308 1.00 0.00 H new ATOM 66 N LEU A 8 -17.507 13.672 -1.749 1.00 0.00 N ATOM 67 CA LEU A 8 -16.726 14.883 -1.981 1.00 0.00 C ATOM 68 C LEU A 8 -16.616 15.182 -3.472 1.00 0.00 C ATOM 69 O LEU A 8 -16.450 14.286 -4.300 1.00 0.00 O ATOM 70 CB LEU A 8 -15.330 14.736 -1.374 1.00 0.00 C ATOM 71 CG LEU A 8 -14.494 13.564 -1.889 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.713 13.970 -3.130 1.00 0.00 C ATOM 73 CD2 LEU A 8 -13.551 13.064 -0.804 1.00 0.00 C ATOM 0 H LEU A 8 -16.948 12.831 -1.605 1.00 0.00 H new ATOM 0 HA LEU A 8 -17.239 15.715 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -14.778 15.658 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.434 14.635 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.169 12.752 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.124 13.123 -3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.407 14.280 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.048 14.798 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.964 12.230 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.882 13.870 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.131 12.733 0.058 1.00 0.00 H new ATOM 85 N PRO A 9 -16.709 16.473 -3.825 1.00 0.00 N ATOM 86 CA PRO A 9 -16.620 16.921 -5.218 1.00 0.00 C ATOM 87 C PRO A 9 -15.214 16.764 -5.789 1.00 0.00 C ATOM 88 O PRO A 9 -15.042 16.534 -6.986 1.00 0.00 O ATOM 89 CB PRO A 9 -17.004 18.400 -5.140 1.00 0.00 C ATOM 90 CG PRO A 9 -16.665 18.807 -3.748 1.00 0.00 C ATOM 91 CD PRO A 9 -16.908 17.594 -2.892 1.00 0.00 C ATOM 0 HA PRO A 9 -17.261 16.335 -5.877 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -16.452 18.991 -5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -18.064 18.545 -5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.627 19.133 -3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -17.284 19.644 -3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.213 17.548 -2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.914 17.594 -2.472 1.00 0.00 H new ATOM 99 N SER A 10 -14.213 16.891 -4.925 1.00 0.00 N ATOM 100 CA SER A 10 -12.821 16.767 -5.344 1.00 0.00 C ATOM 101 C SER A 10 -12.550 15.382 -5.922 1.00 0.00 C ATOM 102 O SER A 10 -13.303 14.438 -5.682 1.00 0.00 O ATOM 103 CB SER A 10 -11.885 17.032 -4.163 1.00 0.00 C ATOM 104 OG SER A 10 -10.547 17.194 -4.599 1.00 0.00 O ATOM 0 H SER A 10 -14.339 17.080 -3.931 1.00 0.00 H new ATOM 0 HA SER A 10 -12.633 17.509 -6.120 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.209 17.927 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.943 16.204 -3.456 1.00 0.00 H new ATOM 0 HG SER A 10 -9.969 17.364 -3.826 1.00 0.00 H new ATOM 110 N ASP A 11 -11.468 15.268 -6.685 1.00 0.00 N ATOM 111 CA ASP A 11 -11.095 13.999 -7.298 1.00 0.00 C ATOM 112 C ASP A 11 -9.768 13.495 -6.739 1.00 0.00 C ATOM 113 O ASP A 11 -9.062 14.221 -6.038 1.00 0.00 O ATOM 114 CB ASP A 11 -10.999 14.150 -8.817 1.00 0.00 C ATOM 115 CG ASP A 11 -10.922 12.813 -9.528 1.00 0.00 C ATOM 116 OD1 ASP A 11 -11.624 11.872 -9.101 1.00 0.00 O ATOM 117 OD2 ASP A 11 -10.160 12.708 -10.511 1.00 0.00 O ATOM 0 H ASP A 11 -10.834 16.039 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 11 -11.869 13.268 -7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.866 14.702 -9.180 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.118 14.742 -9.065 1.00 0.00 H new ATOM 122 N VAL A 12 -9.434 12.247 -7.053 1.00 0.00 N ATOM 123 CA VAL A 12 -8.192 11.646 -6.583 1.00 0.00 C ATOM 124 C VAL A 12 -7.495 10.879 -7.701 1.00 0.00 C ATOM 125 O VAL A 12 -8.139 10.192 -8.494 1.00 0.00 O ATOM 126 CB VAL A 12 -8.443 10.692 -5.399 1.00 0.00 C ATOM 127 CG1 VAL A 12 -7.139 10.061 -4.937 1.00 0.00 C ATOM 128 CG2 VAL A 12 -9.123 11.430 -4.256 1.00 0.00 C ATOM 0 H VAL A 12 -10.007 11.633 -7.631 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.550 12.463 -6.252 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.107 9.894 -5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.336 9.391 -4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.697 9.497 -5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.448 10.843 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.293 10.741 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.486 12.249 -3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.078 11.829 -4.598 1.00 0.00 H new ATOM 138 N THR A 13 -6.172 11.000 -7.759 1.00 0.00 N ATOM 139 CA THR A 13 -5.386 10.319 -8.780 1.00 0.00 C ATOM 140 C THR A 13 -4.104 9.741 -8.192 1.00 0.00 C ATOM 141 O THR A 13 -3.425 10.393 -7.399 1.00 0.00 O ATOM 142 CB THR A 13 -5.024 11.269 -9.937 1.00 0.00 C ATOM 143 OG1 THR A 13 -6.213 11.851 -10.483 1.00 0.00 O ATOM 144 CG2 THR A 13 -4.268 10.528 -11.029 1.00 0.00 C ATOM 0 H THR A 13 -5.623 11.564 -7.110 1.00 0.00 H new ATOM 0 HA THR A 13 -6.004 9.508 -9.166 1.00 0.00 H new ATOM 0 HB THR A 13 -4.382 12.057 -9.544 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.974 12.455 -11.217 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.023 11.219 -11.835 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.349 10.111 -10.617 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.889 9.722 -11.419 1.00 0.00 H new ATOM 152 N GLU A 14 -3.778 8.514 -8.586 1.00 0.00 N ATOM 153 CA GLU A 14 -2.576 7.849 -8.097 1.00 0.00 C ATOM 154 C GLU A 14 -2.412 8.058 -6.594 1.00 0.00 C ATOM 155 O GLU A 14 -1.315 8.332 -6.111 1.00 0.00 O ATOM 156 CB GLU A 14 -1.342 8.372 -8.834 1.00 0.00 C ATOM 157 CG GLU A 14 -1.075 7.666 -10.152 1.00 0.00 C ATOM 158 CD GLU A 14 -1.926 8.205 -11.286 1.00 0.00 C ATOM 159 OE1 GLU A 14 -1.632 9.319 -11.769 1.00 0.00 O ATOM 160 OE2 GLU A 14 -2.884 7.515 -11.689 1.00 0.00 O ATOM 0 H GLU A 14 -4.329 7.961 -9.242 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.679 6.781 -8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.466 9.439 -9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.470 8.261 -8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.022 7.774 -10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.267 6.600 -10.034 1.00 0.00 H new ATOM 167 N GLY A 15 -3.513 7.926 -5.861 1.00 0.00 N ATOM 168 CA GLY A 15 -3.471 8.104 -4.421 1.00 0.00 C ATOM 169 C GLY A 15 -3.680 6.805 -3.670 1.00 0.00 C ATOM 170 O GLY A 15 -4.565 6.705 -2.819 1.00 0.00 O ATOM 0 H GLY A 15 -4.433 7.699 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.509 8.532 -4.139 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.238 8.819 -4.124 1.00 0.00 H new ATOM 174 N LYS A 16 -2.865 5.804 -3.984 1.00 0.00 N ATOM 175 CA LYS A 16 -2.964 4.503 -3.333 1.00 0.00 C ATOM 176 C LYS A 16 -1.601 4.045 -2.823 1.00 0.00 C ATOM 177 O LYS A 16 -0.664 3.861 -3.601 1.00 0.00 O ATOM 178 CB LYS A 16 -3.532 3.465 -4.305 1.00 0.00 C ATOM 179 CG LYS A 16 -4.489 4.051 -5.329 1.00 0.00 C ATOM 180 CD LYS A 16 -4.552 3.198 -6.584 1.00 0.00 C ATOM 181 CE LYS A 16 -5.186 3.955 -7.741 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.174 4.712 -8.529 1.00 0.00 N ATOM 0 H LYS A 16 -2.128 5.869 -4.686 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.637 4.601 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.708 2.979 -4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.050 2.692 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.485 4.133 -4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.171 5.061 -5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.546 2.883 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.125 2.293 -6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.704 3.253 -8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.937 4.645 -7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.508 5.685 -8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.273 4.732 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.033 4.248 -9.449 1.00 0.00 H new ATOM 196 N THR A 17 -1.497 3.860 -1.511 1.00 0.00 N ATOM 197 CA THR A 17 -0.249 3.423 -0.897 1.00 0.00 C ATOM 198 C THR A 17 -0.507 2.407 0.210 1.00 0.00 C ATOM 199 O THR A 17 -1.621 2.305 0.726 1.00 0.00 O ATOM 200 CB THR A 17 0.537 4.612 -0.314 1.00 0.00 C ATOM 201 OG1 THR A 17 0.903 5.517 -1.361 1.00 0.00 O ATOM 202 CG2 THR A 17 1.786 4.132 0.409 1.00 0.00 C ATOM 0 H THR A 17 -2.262 4.006 -0.853 1.00 0.00 H new ATOM 0 HA THR A 17 0.344 2.956 -1.684 1.00 0.00 H new ATOM 0 HB THR A 17 -0.103 5.127 0.403 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.880 5.563 -1.427 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.325 4.989 0.812 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.502 3.466 1.224 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.428 3.596 -0.290 1.00 0.00 H new ATOM 210 N VAL A 18 0.529 1.657 0.572 1.00 0.00 N ATOM 211 CA VAL A 18 0.414 0.650 1.621 1.00 0.00 C ATOM 212 C VAL A 18 1.765 0.382 2.275 1.00 0.00 C ATOM 213 O VAL A 18 2.709 -0.058 1.618 1.00 0.00 O ATOM 214 CB VAL A 18 -0.148 -0.673 1.069 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.442 -0.428 0.308 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.879 -1.359 0.181 1.00 0.00 C ATOM 0 H VAL A 18 1.457 1.727 0.155 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.275 1.046 2.367 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.367 -1.332 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.824 -1.375 -0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.179 0.017 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.252 0.249 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.465 -2.292 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.132 -0.706 -0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.778 -1.571 0.761 1.00 0.00 H new ATOM 226 N PHE A 19 1.850 0.650 3.574 1.00 0.00 N ATOM 227 CA PHE A 19 3.086 0.438 4.318 1.00 0.00 C ATOM 228 C PHE A 19 2.939 -0.723 5.297 1.00 0.00 C ATOM 229 O PHE A 19 2.040 -0.729 6.139 1.00 0.00 O ATOM 230 CB PHE A 19 3.476 1.711 5.073 1.00 0.00 C ATOM 231 CG PHE A 19 4.772 1.589 5.823 1.00 0.00 C ATOM 232 CD1 PHE A 19 5.945 1.270 5.159 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.816 1.794 7.193 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.139 1.158 5.846 1.00 0.00 C ATOM 235 CE2 PHE A 19 6.007 1.684 7.886 1.00 0.00 C ATOM 236 CZ PHE A 19 7.170 1.364 7.212 1.00 0.00 C ATOM 0 H PHE A 19 1.078 1.014 4.133 1.00 0.00 H new ATOM 0 HA PHE A 19 3.873 0.191 3.605 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.552 2.536 4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.682 1.966 5.775 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.926 1.107 4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.910 2.042 7.725 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.047 0.910 5.316 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.028 1.848 8.953 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.101 1.275 7.752 1.00 0.00 H new ATOM 246 N ILE A 20 3.828 -1.703 5.180 1.00 0.00 N ATOM 247 CA ILE A 20 3.798 -2.869 6.055 1.00 0.00 C ATOM 248 C ILE A 20 4.814 -2.736 7.184 1.00 0.00 C ATOM 249 O ILE A 20 5.985 -2.438 6.947 1.00 0.00 O ATOM 250 CB ILE A 20 4.082 -4.166 5.274 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.263 -4.200 3.982 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.773 -5.381 6.136 1.00 0.00 C ATOM 253 CD1 ILE A 20 3.975 -3.582 2.799 1.00 0.00 C ATOM 0 H ILE A 20 4.578 -1.713 4.488 1.00 0.00 H new ATOM 0 HA ILE A 20 2.794 -2.921 6.477 1.00 0.00 H new ATOM 0 HB ILE A 20 5.140 -4.190 5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.014 -5.235 3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.322 -3.675 4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.979 -6.290 5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.396 -5.361 7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.722 -5.364 6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.336 -3.641 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.200 -2.537 3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.903 -4.122 2.611 1.00 0.00 H new ATOM 265 N ARG A 21 4.358 -2.959 8.412 1.00 0.00 N ATOM 266 CA ARG A 21 5.227 -2.865 9.579 1.00 0.00 C ATOM 267 C ARG A 21 5.353 -4.217 10.274 1.00 0.00 C ATOM 268 O ARG A 21 4.422 -5.021 10.263 1.00 0.00 O ATOM 269 CB ARG A 21 4.687 -1.823 10.561 1.00 0.00 C ATOM 270 CG ARG A 21 5.222 -0.421 10.317 1.00 0.00 C ATOM 271 CD ARG A 21 4.458 0.615 11.126 1.00 0.00 C ATOM 272 NE ARG A 21 3.041 0.648 10.775 1.00 0.00 N ATOM 273 CZ ARG A 21 2.219 1.631 11.126 1.00 0.00 C ATOM 274 NH1 ARG A 21 2.672 2.657 11.835 1.00 0.00 N ATOM 275 NH2 ARG A 21 0.942 1.590 10.769 1.00 0.00 N ATOM 0 H ARG A 21 3.392 -3.206 8.625 1.00 0.00 H new ATOM 0 HA ARG A 21 6.216 -2.557 9.240 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.599 -1.804 10.496 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.940 -2.128 11.576 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.279 -0.383 10.580 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.149 -0.182 9.256 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.563 0.395 12.188 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.896 1.599 10.960 1.00 0.00 H new ATOM 0 HE ARG A 21 2.661 -0.126 10.230 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.653 2.692 12.112 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.039 3.411 12.103 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.590 0.803 10.224 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.312 2.346 11.039 1.00 0.00 H new ATOM 289 N ASN A 22 6.512 -4.461 10.878 1.00 0.00 N ATOM 290 CA ASN A 22 6.761 -5.716 11.577 1.00 0.00 C ATOM 291 C ASN A 22 6.952 -6.861 10.587 1.00 0.00 C ATOM 292 O ASN A 22 6.331 -7.918 10.716 1.00 0.00 O ATOM 293 CB ASN A 22 5.603 -6.034 12.525 1.00 0.00 C ATOM 294 CG ASN A 22 5.998 -7.015 13.612 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.973 -6.801 14.332 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.240 -8.098 13.735 1.00 0.00 N ATOM 0 H ASN A 22 7.293 -3.806 10.897 1.00 0.00 H new ATOM 0 HA ASN A 22 7.677 -5.605 12.158 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.249 -5.111 12.984 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.771 -6.445 11.953 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.457 -8.794 14.449 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.441 -8.234 13.116 1.00 0.00 H new ATOM 303 N LEU A 23 7.815 -6.646 9.600 1.00 0.00 N ATOM 304 CA LEU A 23 8.089 -7.660 8.588 1.00 0.00 C ATOM 305 C LEU A 23 9.164 -8.630 9.067 1.00 0.00 C ATOM 306 O LEU A 23 9.925 -8.325 9.986 1.00 0.00 O ATOM 307 CB LEU A 23 8.528 -6.998 7.281 1.00 0.00 C ATOM 308 CG LEU A 23 7.416 -6.364 6.444 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.002 -5.410 5.414 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.581 -7.439 5.764 1.00 0.00 C ATOM 0 H LEU A 23 8.337 -5.778 9.479 1.00 0.00 H new ATOM 0 HA LEU A 23 7.171 -8.222 8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.263 -6.228 7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.034 -7.746 6.670 1.00 0.00 H new ATOM 0 HG LEU A 23 6.766 -5.795 7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.196 -4.968 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.556 -4.621 5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.674 -5.957 4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.795 -6.969 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.218 -8.036 5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.131 -8.083 6.520 1.00 0.00 H new ATOM 322 N SER A 24 9.224 -9.798 8.435 1.00 0.00 N ATOM 323 CA SER A 24 10.205 -10.813 8.797 1.00 0.00 C ATOM 324 C SER A 24 11.386 -10.797 7.831 1.00 0.00 C ATOM 325 O SER A 24 11.208 -10.704 6.617 1.00 0.00 O ATOM 326 CB SER A 24 9.558 -12.199 8.805 1.00 0.00 C ATOM 327 OG SER A 24 9.626 -12.801 7.524 1.00 0.00 O ATOM 0 H SER A 24 8.604 -10.064 7.670 1.00 0.00 H new ATOM 0 HA SER A 24 10.573 -10.586 9.798 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.060 -12.834 9.536 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.517 -12.116 9.116 1.00 0.00 H new ATOM 0 HG SER A 24 9.207 -13.686 7.556 1.00 0.00 H new ATOM 333 N PHE A 25 12.593 -10.887 8.380 1.00 0.00 N ATOM 334 CA PHE A 25 13.804 -10.881 7.568 1.00 0.00 C ATOM 335 C PHE A 25 13.670 -11.833 6.383 1.00 0.00 C ATOM 336 O PHE A 25 14.012 -11.486 5.253 1.00 0.00 O ATOM 337 CB PHE A 25 15.015 -11.274 8.418 1.00 0.00 C ATOM 338 CG PHE A 25 15.505 -10.171 9.311 1.00 0.00 C ATOM 339 CD1 PHE A 25 16.013 -9.000 8.772 1.00 0.00 C ATOM 340 CD2 PHE A 25 15.457 -10.304 10.689 1.00 0.00 C ATOM 341 CE1 PHE A 25 16.465 -7.983 9.592 1.00 0.00 C ATOM 342 CE2 PHE A 25 15.907 -9.290 11.514 1.00 0.00 C ATOM 343 CZ PHE A 25 16.411 -8.128 10.964 1.00 0.00 C ATOM 0 H PHE A 25 12.758 -10.965 9.383 1.00 0.00 H new ATOM 0 HA PHE A 25 13.949 -9.871 7.185 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.754 -12.137 9.030 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.826 -11.584 7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.056 -8.880 7.700 1.00 0.00 H new ATOM 0 HD2 PHE A 25 15.063 -11.211 11.124 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.860 -7.076 9.160 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.864 -9.407 12.587 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.762 -7.334 11.606 1.00 0.00 H new ATOM 353 N ASP A 26 13.168 -13.033 6.651 1.00 0.00 N ATOM 354 CA ASP A 26 12.987 -14.036 5.608 1.00 0.00 C ATOM 355 C ASP A 26 12.143 -13.483 4.463 1.00 0.00 C ATOM 356 O ASP A 26 12.382 -13.795 3.296 1.00 0.00 O ATOM 357 CB ASP A 26 12.328 -15.290 6.184 1.00 0.00 C ATOM 358 CG ASP A 26 13.111 -15.875 7.343 1.00 0.00 C ATOM 359 OD1 ASP A 26 13.573 -15.094 8.201 1.00 0.00 O ATOM 360 OD2 ASP A 26 13.260 -17.113 7.393 1.00 0.00 O ATOM 0 H ASP A 26 12.879 -13.335 7.581 1.00 0.00 H new ATOM 0 HA ASP A 26 13.970 -14.299 5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.319 -15.046 6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.232 -16.040 5.399 1.00 0.00 H new ATOM 365 N SER A 27 11.156 -12.662 4.806 1.00 0.00 N ATOM 366 CA SER A 27 10.273 -12.070 3.808 1.00 0.00 C ATOM 367 C SER A 27 11.069 -11.580 2.601 1.00 0.00 C ATOM 368 O SER A 27 12.239 -11.220 2.722 1.00 0.00 O ATOM 369 CB SER A 27 9.484 -10.910 4.418 1.00 0.00 C ATOM 370 OG SER A 27 10.267 -9.729 4.463 1.00 0.00 O ATOM 0 H SER A 27 10.948 -12.392 5.767 1.00 0.00 H new ATOM 0 HA SER A 27 9.576 -12.838 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.583 -10.731 3.832 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.161 -11.175 5.425 1.00 0.00 H new ATOM 0 HG SER A 27 10.945 -9.812 5.166 1.00 0.00 H new ATOM 376 N GLU A 28 10.424 -11.570 1.439 1.00 0.00 N ATOM 377 CA GLU A 28 11.071 -11.125 0.211 1.00 0.00 C ATOM 378 C GLU A 28 10.120 -10.276 -0.629 1.00 0.00 C ATOM 379 O GLU A 28 8.938 -10.594 -0.757 1.00 0.00 O ATOM 380 CB GLU A 28 11.552 -12.328 -0.603 1.00 0.00 C ATOM 381 CG GLU A 28 12.455 -13.269 0.177 1.00 0.00 C ATOM 382 CD GLU A 28 13.214 -14.226 -0.721 1.00 0.00 C ATOM 383 OE1 GLU A 28 12.581 -14.834 -1.609 1.00 0.00 O ATOM 384 OE2 GLU A 28 14.441 -14.368 -0.534 1.00 0.00 O ATOM 0 H GLU A 28 9.455 -11.865 1.322 1.00 0.00 H new ATOM 0 HA GLU A 28 11.931 -10.513 0.485 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.685 -12.884 -0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.087 -11.970 -1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.165 -12.684 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.854 -13.840 0.885 1.00 0.00 H new ATOM 391 N GLU A 29 10.646 -9.196 -1.198 1.00 0.00 N ATOM 392 CA GLU A 29 9.844 -8.301 -2.024 1.00 0.00 C ATOM 393 C GLU A 29 8.857 -9.090 -2.880 1.00 0.00 C ATOM 394 O GLU A 29 7.735 -8.644 -3.120 1.00 0.00 O ATOM 395 CB GLU A 29 10.747 -7.451 -2.920 1.00 0.00 C ATOM 396 CG GLU A 29 10.142 -6.110 -3.298 1.00 0.00 C ATOM 397 CD GLU A 29 11.124 -5.210 -4.021 1.00 0.00 C ATOM 398 OE1 GLU A 29 11.978 -4.599 -3.346 1.00 0.00 O ATOM 399 OE2 GLU A 29 11.038 -5.115 -5.264 1.00 0.00 O ATOM 0 H GLU A 29 11.623 -8.920 -1.102 1.00 0.00 H new ATOM 0 HA GLU A 29 9.280 -7.644 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.695 -7.281 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.970 -8.009 -3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.271 -6.275 -3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.790 -5.608 -2.397 1.00 0.00 H new ATOM 406 N GLU A 30 9.284 -10.263 -3.337 1.00 0.00 N ATOM 407 CA GLU A 30 8.438 -11.112 -4.167 1.00 0.00 C ATOM 408 C GLU A 30 7.277 -11.682 -3.357 1.00 0.00 C ATOM 409 O GLU A 30 6.112 -11.441 -3.669 1.00 0.00 O ATOM 410 CB GLU A 30 9.260 -12.252 -4.772 1.00 0.00 C ATOM 411 CG GLU A 30 8.414 -13.398 -5.302 1.00 0.00 C ATOM 412 CD GLU A 30 9.089 -14.147 -6.434 1.00 0.00 C ATOM 413 OE1 GLU A 30 9.829 -13.508 -7.211 1.00 0.00 O ATOM 414 OE2 GLU A 30 8.878 -15.373 -6.542 1.00 0.00 O ATOM 0 H GLU A 30 10.210 -10.647 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 30 8.031 -10.500 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.871 -11.857 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.944 -12.636 -4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.199 -14.092 -4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.457 -13.008 -5.649 1.00 0.00 H new ATOM 421 N ALA A 31 7.606 -12.439 -2.315 1.00 0.00 N ATOM 422 CA ALA A 31 6.592 -13.042 -1.459 1.00 0.00 C ATOM 423 C ALA A 31 5.667 -11.981 -0.872 1.00 0.00 C ATOM 424 O ALA A 31 4.444 -12.082 -0.977 1.00 0.00 O ATOM 425 CB ALA A 31 7.250 -13.846 -0.347 1.00 0.00 C ATOM 0 H ALA A 31 8.567 -12.649 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 31 5.989 -13.714 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.481 -14.291 0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.863 -14.635 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.878 -13.189 0.254 1.00 0.00 H new ATOM 431 N LEU A 32 6.258 -10.965 -0.254 1.00 0.00 N ATOM 432 CA LEU A 32 5.487 -9.885 0.352 1.00 0.00 C ATOM 433 C LEU A 32 4.381 -9.413 -0.587 1.00 0.00 C ATOM 434 O LEU A 32 3.212 -9.359 -0.208 1.00 0.00 O ATOM 435 CB LEU A 32 6.405 -8.713 0.706 1.00 0.00 C ATOM 436 CG LEU A 32 5.746 -7.540 1.433 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.800 -6.597 1.991 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.803 -6.796 0.498 1.00 0.00 C ATOM 0 H LEU A 32 7.269 -10.866 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 32 5.027 -10.267 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.218 -9.089 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.854 -8.338 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 32 5.164 -7.934 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.312 -5.769 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.435 -7.136 2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.410 -6.209 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.343 -5.964 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.363 -6.414 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.027 -7.476 0.147 1.00 0.00 H new ATOM 450 N GLY A 33 4.759 -9.074 -1.816 1.00 0.00 N ATOM 451 CA GLY A 33 3.788 -8.614 -2.791 1.00 0.00 C ATOM 452 C GLY A 33 2.736 -9.661 -3.100 1.00 0.00 C ATOM 453 O GLY A 33 1.543 -9.426 -2.909 1.00 0.00 O ATOM 0 H GLY A 33 5.721 -9.110 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.301 -7.713 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.304 -8.339 -3.711 1.00 0.00 H new ATOM 457 N GLU A 34 3.179 -10.819 -3.580 1.00 0.00 N ATOM 458 CA GLU A 34 2.265 -11.904 -3.919 1.00 0.00 C ATOM 459 C GLU A 34 1.157 -12.027 -2.877 1.00 0.00 C ATOM 460 O GLU A 34 0.070 -12.528 -3.166 1.00 0.00 O ATOM 461 CB GLU A 34 3.028 -13.226 -4.028 1.00 0.00 C ATOM 462 CG GLU A 34 3.841 -13.356 -5.304 1.00 0.00 C ATOM 463 CD GLU A 34 2.976 -13.361 -6.550 1.00 0.00 C ATOM 464 OE1 GLU A 34 1.886 -13.969 -6.513 1.00 0.00 O ATOM 465 OE2 GLU A 34 3.389 -12.755 -7.561 1.00 0.00 O ATOM 0 H GLU A 34 4.164 -11.030 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 34 1.809 -11.675 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.695 -13.323 -3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.318 -14.051 -3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.552 -12.532 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.423 -14.277 -5.267 1.00 0.00 H new ATOM 472 N VAL A 35 1.441 -11.568 -1.662 1.00 0.00 N ATOM 473 CA VAL A 35 0.470 -11.626 -0.577 1.00 0.00 C ATOM 474 C VAL A 35 -0.584 -10.534 -0.723 1.00 0.00 C ATOM 475 O VAL A 35 -1.785 -10.806 -0.687 1.00 0.00 O ATOM 476 CB VAL A 35 1.153 -11.483 0.797 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.119 -11.502 1.912 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.184 -12.584 0.995 1.00 0.00 C ATOM 0 H VAL A 35 2.336 -11.152 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.011 -12.602 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 35 1.669 -10.523 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.620 -11.400 2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.578 -10.675 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.427 -12.445 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.657 -12.468 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.693 -13.556 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.942 -12.518 0.214 1.00 0.00 H new ATOM 488 N LEU A 36 -0.128 -9.298 -0.889 1.00 0.00 N ATOM 489 CA LEU A 36 -1.032 -8.163 -1.043 1.00 0.00 C ATOM 490 C LEU A 36 -1.761 -8.224 -2.381 1.00 0.00 C ATOM 491 O LEU A 36 -2.876 -7.721 -2.514 1.00 0.00 O ATOM 492 CB LEU A 36 -0.256 -6.849 -0.932 1.00 0.00 C ATOM 493 CG LEU A 36 0.657 -6.710 0.287 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.470 -5.427 0.201 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.160 -6.741 1.571 1.00 0.00 C ATOM 0 H LEU A 36 0.862 -9.056 -0.920 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.773 -8.210 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.350 -6.731 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.972 -6.027 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 36 1.347 -7.553 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.114 -5.345 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.083 -5.445 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.796 -4.571 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.506 -6.641 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.874 -5.917 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.697 -7.687 1.638 1.00 0.00 H new ATOM 507 N GLN A 37 -1.124 -8.846 -3.368 1.00 0.00 N ATOM 508 CA GLN A 37 -1.714 -8.974 -4.696 1.00 0.00 C ATOM 509 C GLN A 37 -3.103 -9.598 -4.616 1.00 0.00 C ATOM 510 O GLN A 37 -4.026 -9.168 -5.307 1.00 0.00 O ATOM 511 CB GLN A 37 -0.813 -9.821 -5.597 1.00 0.00 C ATOM 512 CG GLN A 37 0.463 -9.111 -6.021 1.00 0.00 C ATOM 513 CD GLN A 37 1.164 -9.808 -7.170 1.00 0.00 C ATOM 514 OE1 GLN A 37 2.235 -10.390 -6.998 1.00 0.00 O ATOM 515 NE2 GLN A 37 0.562 -9.752 -8.352 1.00 0.00 N ATOM 0 H GLN A 37 -0.201 -9.269 -3.274 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.808 -7.975 -5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.551 -10.740 -5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.372 -10.110 -6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.225 -8.088 -6.312 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.141 -9.051 -5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.325 -9.259 -8.450 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.987 -10.202 -9.163 1.00 0.00 H new ATOM 524 N GLN A 38 -3.243 -10.613 -3.769 1.00 0.00 N ATOM 525 CA GLN A 38 -4.521 -11.296 -3.601 1.00 0.00 C ATOM 526 C GLN A 38 -5.679 -10.304 -3.652 1.00 0.00 C ATOM 527 O GLN A 38 -6.710 -10.569 -4.270 1.00 0.00 O ATOM 528 CB GLN A 38 -4.545 -12.058 -2.276 1.00 0.00 C ATOM 529 CG GLN A 38 -4.783 -11.169 -1.066 1.00 0.00 C ATOM 530 CD GLN A 38 -4.807 -11.947 0.235 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.780 -11.890 0.987 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.734 -12.681 0.506 1.00 0.00 N ATOM 0 H GLN A 38 -2.488 -10.980 -3.189 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.637 -12.004 -4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.326 -12.817 -2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.597 -12.582 -2.151 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.001 -10.411 -1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.730 -10.643 -1.187 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.950 -12.699 -0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.694 -13.227 1.366 1.00 0.00 H new ATOM 541 N PHE A 39 -5.502 -9.161 -2.997 1.00 0.00 N ATOM 542 CA PHE A 39 -6.533 -8.131 -2.967 1.00 0.00 C ATOM 543 C PHE A 39 -6.591 -7.380 -4.294 1.00 0.00 C ATOM 544 O PHE A 39 -7.663 -7.199 -4.871 1.00 0.00 O ATOM 545 CB PHE A 39 -6.268 -7.148 -1.824 1.00 0.00 C ATOM 546 CG PHE A 39 -6.199 -7.804 -0.474 1.00 0.00 C ATOM 547 CD1 PHE A 39 -7.353 -8.040 0.256 1.00 0.00 C ATOM 548 CD2 PHE A 39 -4.980 -8.183 0.065 1.00 0.00 C ATOM 549 CE1 PHE A 39 -7.293 -8.643 1.498 1.00 0.00 C ATOM 550 CE2 PHE A 39 -4.914 -8.787 1.306 1.00 0.00 C ATOM 551 CZ PHE A 39 -6.072 -9.016 2.024 1.00 0.00 C ATOM 0 H PHE A 39 -4.655 -8.925 -2.480 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.494 -8.619 -2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.330 -6.626 -2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.056 -6.394 -1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.310 -7.749 -0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.072 -8.004 -0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.200 -8.822 2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.958 -9.080 1.714 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.022 -9.486 2.995 1.00 0.00 H new ATOM 561 N GLY A 40 -5.430 -6.944 -4.773 1.00 0.00 N ATOM 562 CA GLY A 40 -5.370 -6.218 -6.027 1.00 0.00 C ATOM 563 C GLY A 40 -3.971 -6.182 -6.610 1.00 0.00 C ATOM 564 O GLY A 40 -2.985 -6.293 -5.882 1.00 0.00 O ATOM 0 H GLY A 40 -4.529 -7.081 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.047 -6.681 -6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.721 -5.198 -5.870 1.00 0.00 H new ATOM 568 N ASP A 41 -3.884 -6.027 -7.927 1.00 0.00 N ATOM 569 CA ASP A 41 -2.596 -5.977 -8.607 1.00 0.00 C ATOM 570 C ASP A 41 -1.715 -4.878 -8.023 1.00 0.00 C ATOM 571 O ASP A 41 -2.096 -3.706 -8.003 1.00 0.00 O ATOM 572 CB ASP A 41 -2.795 -5.745 -10.106 1.00 0.00 C ATOM 573 CG ASP A 41 -3.860 -6.650 -10.695 1.00 0.00 C ATOM 574 OD1 ASP A 41 -5.058 -6.383 -10.466 1.00 0.00 O ATOM 575 OD2 ASP A 41 -3.495 -7.623 -11.386 1.00 0.00 O ATOM 0 H ASP A 41 -4.691 -5.934 -8.544 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.098 -6.935 -8.458 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.072 -4.705 -10.276 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.851 -5.913 -10.625 1.00 0.00 H new ATOM 580 N LEU A 42 -0.535 -5.262 -7.547 1.00 0.00 N ATOM 581 CA LEU A 42 0.401 -4.309 -6.961 1.00 0.00 C ATOM 582 C LEU A 42 1.186 -3.579 -8.046 1.00 0.00 C ATOM 583 O LEU A 42 1.825 -4.205 -8.893 1.00 0.00 O ATOM 584 CB LEU A 42 1.363 -5.026 -6.013 1.00 0.00 C ATOM 585 CG LEU A 42 0.774 -5.486 -4.679 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.548 -6.677 -4.136 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.774 -4.344 -3.674 1.00 0.00 C ATOM 0 H LEU A 42 -0.204 -6.227 -7.556 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.173 -3.573 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.767 -5.897 -6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.201 -4.361 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.258 -5.796 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.114 -6.990 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.495 -7.500 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.590 -6.395 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.351 -4.690 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.796 -4.003 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.174 -3.520 -4.060 1.00 0.00 H new ATOM 599 N LYS A 43 1.137 -2.252 -8.013 1.00 0.00 N ATOM 600 CA LYS A 43 1.847 -1.435 -8.991 1.00 0.00 C ATOM 601 C LYS A 43 3.356 -1.553 -8.805 1.00 0.00 C ATOM 602 O LYS A 43 4.101 -1.699 -9.774 1.00 0.00 O ATOM 603 CB LYS A 43 1.420 0.029 -8.869 1.00 0.00 C ATOM 604 CG LYS A 43 2.270 0.981 -9.692 1.00 0.00 C ATOM 605 CD LYS A 43 1.797 1.047 -11.134 1.00 0.00 C ATOM 606 CE LYS A 43 2.683 1.957 -11.971 1.00 0.00 C ATOM 607 NZ LYS A 43 2.178 2.094 -13.365 1.00 0.00 N ATOM 0 H LYS A 43 0.613 -1.719 -7.319 1.00 0.00 H new ATOM 0 HA LYS A 43 1.592 -1.800 -9.986 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.380 0.122 -9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.467 0.326 -7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.234 1.977 -9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.311 0.658 -9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.794 0.045 -11.563 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.770 1.410 -11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.735 2.941 -11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.698 1.559 -11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.809 2.722 -13.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.152 1.158 -13.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.220 2.498 -13.349 1.00 0.00 H new ATOM 621 N TYR A 44 3.800 -1.489 -7.554 1.00 0.00 N ATOM 622 CA TYR A 44 5.221 -1.587 -7.242 1.00 0.00 C ATOM 623 C TYR A 44 5.432 -1.986 -5.785 1.00 0.00 C ATOM 624 O TYR A 44 4.864 -1.382 -4.875 1.00 0.00 O ATOM 625 CB TYR A 44 5.920 -0.256 -7.525 1.00 0.00 C ATOM 626 CG TYR A 44 5.948 0.677 -6.336 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.805 0.446 -5.266 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.119 1.790 -6.281 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.834 1.295 -4.177 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.142 2.646 -5.197 1.00 0.00 C ATOM 631 CZ TYR A 44 6.001 2.395 -4.148 1.00 0.00 C ATOM 632 OH TYR A 44 6.026 3.244 -3.065 1.00 0.00 O ATOM 0 H TYR A 44 3.197 -1.370 -6.740 1.00 0.00 H new ATOM 0 HA TYR A 44 5.654 -2.359 -7.878 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.943 -0.453 -7.846 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.416 0.241 -8.354 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.460 -0.413 -5.287 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.444 1.990 -7.100 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.504 1.099 -3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.491 3.507 -5.171 1.00 0.00 H new ATOM 0 HH TYR A 44 5.380 3.968 -3.202 1.00 0.00 H new ATOM 642 N VAL A 45 6.255 -3.007 -5.571 1.00 0.00 N ATOM 643 CA VAL A 45 6.544 -3.487 -4.225 1.00 0.00 C ATOM 644 C VAL A 45 8.031 -3.370 -3.907 1.00 0.00 C ATOM 645 O VAL A 45 8.857 -4.078 -4.483 1.00 0.00 O ATOM 646 CB VAL A 45 6.106 -4.953 -4.045 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.596 -5.803 -5.208 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.615 -5.502 -2.721 1.00 0.00 C ATOM 0 H VAL A 45 6.734 -3.518 -6.313 1.00 0.00 H new ATOM 0 HA VAL A 45 5.977 -2.859 -3.537 1.00 0.00 H new ATOM 0 HB VAL A 45 5.017 -4.990 -4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.277 -6.835 -5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.178 -5.421 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.684 -5.762 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.296 -6.539 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.704 -5.453 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.210 -4.909 -1.901 1.00 0.00 H new ATOM 658 N ARG A 46 8.364 -2.472 -2.986 1.00 0.00 N ATOM 659 CA ARG A 46 9.752 -2.261 -2.592 1.00 0.00 C ATOM 660 C ARG A 46 9.913 -2.388 -1.080 1.00 0.00 C ATOM 661 O ARG A 46 9.087 -1.891 -0.313 1.00 0.00 O ATOM 662 CB ARG A 46 10.232 -0.883 -3.052 1.00 0.00 C ATOM 663 CG ARG A 46 11.699 -0.620 -2.757 1.00 0.00 C ATOM 664 CD ARG A 46 11.901 -0.128 -1.332 1.00 0.00 C ATOM 665 NE ARG A 46 13.075 0.732 -1.211 1.00 0.00 N ATOM 666 CZ ARG A 46 14.323 0.292 -1.326 1.00 0.00 C ATOM 667 NH1 ARG A 46 14.558 -0.991 -1.564 1.00 0.00 N ATOM 668 NH2 ARG A 46 15.339 1.137 -1.203 1.00 0.00 N ATOM 0 H ARG A 46 7.692 -1.879 -2.499 1.00 0.00 H new ATOM 0 HA ARG A 46 10.360 -3.029 -3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.063 -0.788 -4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.629 -0.116 -2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.272 -1.534 -2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.085 0.121 -3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.016 0.420 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.008 -0.983 -0.665 1.00 0.00 H new ATOM 0 HE ARG A 46 12.929 1.725 -1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.779 -1.643 -1.659 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.517 -1.326 -1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.162 2.125 -1.020 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.297 0.799 -1.291 1.00 0.00 H new ATOM 682 N VAL A 47 10.981 -3.057 -0.657 1.00 0.00 N ATOM 683 CA VAL A 47 11.250 -3.249 0.763 1.00 0.00 C ATOM 684 C VAL A 47 12.575 -2.609 1.162 1.00 0.00 C ATOM 685 O VAL A 47 13.629 -2.949 0.625 1.00 0.00 O ATOM 686 CB VAL A 47 11.284 -4.745 1.130 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.310 -5.480 0.282 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.580 -4.922 2.612 1.00 0.00 C ATOM 0 H VAL A 47 11.674 -3.475 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 47 10.438 -2.767 1.308 1.00 0.00 H new ATOM 0 HB VAL A 47 10.304 -5.175 0.924 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.320 -6.535 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 47 12.049 -5.381 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.298 -5.052 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.600 -5.984 2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.548 -4.478 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.804 -4.431 3.199 1.00 0.00 H new ATOM 698 N VAL A 48 12.514 -1.678 2.110 1.00 0.00 N ATOM 699 CA VAL A 48 13.709 -0.990 2.583 1.00 0.00 C ATOM 700 C VAL A 48 14.693 -1.969 3.213 1.00 0.00 C ATOM 701 O VAL A 48 14.297 -2.895 3.922 1.00 0.00 O ATOM 702 CB VAL A 48 13.358 0.101 3.612 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.598 -0.497 4.786 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.617 0.810 4.087 1.00 0.00 C ATOM 0 H VAL A 48 11.650 -1.384 2.565 1.00 0.00 H new ATOM 0 HA VAL A 48 14.171 -0.523 1.713 1.00 0.00 H new ATOM 0 HB VAL A 48 12.714 0.837 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.359 0.289 5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.676 -0.954 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.214 -1.254 5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.350 1.578 4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.288 0.088 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.116 1.274 3.236 1.00 0.00 H new ATOM 714 N LEU A 49 15.978 -1.758 2.951 1.00 0.00 N ATOM 715 CA LEU A 49 17.022 -2.622 3.493 1.00 0.00 C ATOM 716 C LEU A 49 18.131 -1.797 4.139 1.00 0.00 C ATOM 717 O LEU A 49 18.394 -0.665 3.731 1.00 0.00 O ATOM 718 CB LEU A 49 17.605 -3.505 2.388 1.00 0.00 C ATOM 719 CG LEU A 49 16.654 -4.539 1.783 1.00 0.00 C ATOM 720 CD1 LEU A 49 17.156 -4.993 0.421 1.00 0.00 C ATOM 721 CD2 LEU A 49 16.495 -5.729 2.719 1.00 0.00 C ATOM 0 H LEU A 49 16.323 -0.996 2.367 1.00 0.00 H new ATOM 0 HA LEU A 49 16.574 -3.256 4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 49 17.965 -2.860 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 49 18.472 -4.029 2.789 1.00 0.00 H new ATOM 0 HG LEU A 49 15.677 -4.073 1.651 1.00 0.00 H new ATOM 0 HD11 LEU A 49 16.467 -5.728 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.218 -4.135 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 49 18.144 -5.441 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 49 15.815 -6.455 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 49 17.467 -6.195 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.089 -5.390 3.672 1.00 0.00 H new ATOM 733 N HIS A 50 18.779 -2.373 5.147 1.00 0.00 N ATOM 734 CA HIS A 50 19.861 -1.692 5.847 1.00 0.00 C ATOM 735 C HIS A 50 21.015 -1.385 4.897 1.00 0.00 C ATOM 736 O HIS A 50 21.368 -2.186 4.032 1.00 0.00 O ATOM 737 CB HIS A 50 20.359 -2.546 7.014 1.00 0.00 C ATOM 738 CG HIS A 50 20.896 -1.742 8.158 1.00 0.00 C ATOM 739 ND1 HIS A 50 22.244 -1.560 8.384 1.00 0.00 N ATOM 740 CD2 HIS A 50 20.257 -1.069 9.144 1.00 0.00 C ATOM 741 CE1 HIS A 50 22.411 -0.812 9.459 1.00 0.00 C ATOM 742 NE2 HIS A 50 21.221 -0.500 9.939 1.00 0.00 N ATOM 0 H HIS A 50 18.573 -3.309 5.497 1.00 0.00 H new ATOM 0 HA HIS A 50 19.473 -0.750 6.235 1.00 0.00 H new ATOM 0 HB2 HIS A 50 19.540 -3.170 7.372 1.00 0.00 H new ATOM 0 HB3 HIS A 50 21.139 -3.218 6.655 1.00 0.00 H new ATOM 0 HD2 HIS A 50 19.188 -0.994 9.280 1.00 0.00 H new ATOM 0 HE1 HIS A 50 23.360 -0.507 9.875 1.00 0.00 H new ATOM 0 HE2 HIS A 50 21.046 0.071 10.766 1.00 0.00 H new ATOM 751 N PRO A 51 21.617 -0.197 5.060 1.00 0.00 N ATOM 752 CA PRO A 51 22.740 0.242 4.226 1.00 0.00 C ATOM 753 C PRO A 51 24.012 -0.551 4.502 1.00 0.00 C ATOM 754 O PRO A 51 24.880 -0.671 3.637 1.00 0.00 O ATOM 755 CB PRO A 51 22.926 1.708 4.625 1.00 0.00 C ATOM 756 CG PRO A 51 22.380 1.796 6.009 1.00 0.00 C ATOM 757 CD PRO A 51 21.249 0.807 6.071 1.00 0.00 C ATOM 0 HA PRO A 51 22.540 0.097 3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 51 23.977 1.996 4.595 1.00 0.00 H new ATOM 0 HB3 PRO A 51 22.393 2.374 3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.147 1.559 6.747 1.00 0.00 H new ATOM 0 HG3 PRO A 51 22.029 2.805 6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 51 21.157 0.364 7.062 1.00 0.00 H new ATOM 0 HD3 PRO A 51 20.292 1.276 5.842 1.00 0.00 H new ATOM 765 N ASP A 52 24.117 -1.091 5.711 1.00 0.00 N ATOM 766 CA ASP A 52 25.284 -1.875 6.100 1.00 0.00 C ATOM 767 C ASP A 52 25.208 -3.285 5.523 1.00 0.00 C ATOM 768 O ASP A 52 26.139 -3.748 4.862 1.00 0.00 O ATOM 769 CB ASP A 52 25.396 -1.939 7.624 1.00 0.00 C ATOM 770 CG ASP A 52 26.815 -2.200 8.090 1.00 0.00 C ATOM 771 OD1 ASP A 52 27.690 -1.347 7.831 1.00 0.00 O ATOM 772 OD2 ASP A 52 27.050 -3.255 8.713 1.00 0.00 O ATOM 0 H ASP A 52 23.408 -1.000 6.439 1.00 0.00 H new ATOM 0 HA ASP A 52 26.171 -1.385 5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 52 25.043 -1.000 8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 52 24.742 -2.726 8.001 1.00 0.00 H new ATOM 777 N THR A 53 24.094 -3.964 5.777 1.00 0.00 N ATOM 778 CA THR A 53 23.898 -5.322 5.285 1.00 0.00 C ATOM 779 C THR A 53 22.474 -5.524 4.781 1.00 0.00 C ATOM 780 O THR A 53 21.641 -4.622 4.869 1.00 0.00 O ATOM 781 CB THR A 53 24.195 -6.365 6.380 1.00 0.00 C ATOM 782 OG1 THR A 53 24.143 -7.684 5.827 1.00 0.00 O ATOM 783 CG2 THR A 53 23.198 -6.249 7.523 1.00 0.00 C ATOM 0 H THR A 53 23.314 -3.596 6.321 1.00 0.00 H new ATOM 0 HA THR A 53 24.596 -5.463 4.460 1.00 0.00 H new ATOM 0 HB THR A 53 25.195 -6.174 6.771 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.335 -8.341 6.529 1.00 0.00 H new ATOM 0 HG21 THR A 53 23.428 -6.995 8.284 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.261 -5.253 7.961 1.00 0.00 H new ATOM 0 HG23 THR A 53 22.190 -6.416 7.144 1.00 0.00 H new ATOM 791 N GLU A 54 22.200 -6.713 4.253 1.00 0.00 N ATOM 792 CA GLU A 54 20.875 -7.031 3.734 1.00 0.00 C ATOM 793 C GLU A 54 19.918 -7.385 4.869 1.00 0.00 C ATOM 794 O GLU A 54 19.216 -8.396 4.811 1.00 0.00 O ATOM 795 CB GLU A 54 20.957 -8.192 2.741 1.00 0.00 C ATOM 796 CG GLU A 54 21.553 -7.803 1.398 1.00 0.00 C ATOM 797 CD GLU A 54 22.140 -8.987 0.655 1.00 0.00 C ATOM 798 OE1 GLU A 54 23.078 -9.615 1.189 1.00 0.00 O ATOM 799 OE2 GLU A 54 21.662 -9.285 -0.460 1.00 0.00 O ATOM 0 H GLU A 54 22.878 -7.471 4.173 1.00 0.00 H new ATOM 0 HA GLU A 54 20.492 -6.149 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.557 -8.991 3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.957 -8.595 2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.782 -7.339 0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.330 -7.054 1.553 1.00 0.00 H new ATOM 806 N HIS A 55 19.895 -6.546 5.899 1.00 0.00 N ATOM 807 CA HIS A 55 19.024 -6.770 7.048 1.00 0.00 C ATOM 808 C HIS A 55 17.775 -5.898 6.960 1.00 0.00 C ATOM 809 O HIS A 55 17.765 -4.761 7.434 1.00 0.00 O ATOM 810 CB HIS A 55 19.774 -6.478 8.348 1.00 0.00 C ATOM 811 CG HIS A 55 20.479 -7.672 8.914 1.00 0.00 C ATOM 812 ND1 HIS A 55 20.442 -8.004 10.251 1.00 0.00 N ATOM 813 CD2 HIS A 55 21.241 -8.616 8.314 1.00 0.00 C ATOM 814 CE1 HIS A 55 21.152 -9.100 10.451 1.00 0.00 C ATOM 815 NE2 HIS A 55 21.648 -9.492 9.291 1.00 0.00 N ATOM 0 H HIS A 55 20.469 -5.705 5.962 1.00 0.00 H new ATOM 0 HA HIS A 55 18.717 -7.816 7.042 1.00 0.00 H new ATOM 0 HB2 HIS A 55 20.503 -5.688 8.168 1.00 0.00 H new ATOM 0 HB3 HIS A 55 19.069 -6.099 9.087 1.00 0.00 H new ATOM 0 HD2 HIS A 55 21.484 -8.671 7.263 1.00 0.00 H new ATOM 0 HE1 HIS A 55 21.301 -9.592 11.401 1.00 0.00 H new ATOM 0 HE2 HIS A 55 22.237 -10.312 9.145 1.00 0.00 H new ATOM 824 N SER A 56 16.724 -6.437 6.351 1.00 0.00 N ATOM 825 CA SER A 56 15.471 -5.706 6.197 1.00 0.00 C ATOM 826 C SER A 56 15.096 -4.992 7.493 1.00 0.00 C ATOM 827 O SER A 56 14.786 -5.629 8.500 1.00 0.00 O ATOM 828 CB SER A 56 14.348 -6.659 5.783 1.00 0.00 C ATOM 829 OG SER A 56 13.202 -5.942 5.358 1.00 0.00 O ATOM 0 H SER A 56 16.715 -7.377 5.956 1.00 0.00 H new ATOM 0 HA SER A 56 15.609 -4.957 5.417 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.695 -7.307 4.978 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.087 -7.304 6.622 1.00 0.00 H new ATOM 0 HG SER A 56 12.499 -6.573 5.097 1.00 0.00 H new ATOM 835 N LYS A 57 15.127 -3.664 7.459 1.00 0.00 N ATOM 836 CA LYS A 57 14.790 -2.861 8.628 1.00 0.00 C ATOM 837 C LYS A 57 13.593 -3.451 9.367 1.00 0.00 C ATOM 838 O LYS A 57 13.528 -3.411 10.595 1.00 0.00 O ATOM 839 CB LYS A 57 14.486 -1.420 8.212 1.00 0.00 C ATOM 840 CG LYS A 57 15.652 -0.725 7.530 1.00 0.00 C ATOM 841 CD LYS A 57 15.629 0.774 7.776 1.00 0.00 C ATOM 842 CE LYS A 57 16.328 1.137 9.077 1.00 0.00 C ATOM 843 NZ LYS A 57 16.203 2.588 9.388 1.00 0.00 N ATOM 0 H LYS A 57 15.382 -3.121 6.634 1.00 0.00 H new ATOM 0 HA LYS A 57 15.648 -2.866 9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.629 -1.418 7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 57 14.199 -0.849 9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 57 16.590 -1.141 7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 57 15.616 -0.919 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 57 16.114 1.287 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.597 1.123 7.807 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.903 0.553 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 57 17.383 0.870 9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 16.692 2.795 10.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.631 3.145 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.198 2.838 9.478 1.00 0.00 H new ATOM 857 N GLY A 58 12.648 -4.000 8.610 1.00 0.00 N ATOM 858 CA GLY A 58 11.467 -4.592 9.211 1.00 0.00 C ATOM 859 C GLY A 58 10.181 -4.006 8.661 1.00 0.00 C ATOM 860 O GLY A 58 9.105 -4.219 9.220 1.00 0.00 O ATOM 0 H GLY A 58 12.679 -4.045 7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.476 -5.668 9.038 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.498 -4.442 10.290 1.00 0.00 H new ATOM 864 N CYS A 59 10.292 -3.264 7.565 1.00 0.00 N ATOM 865 CA CYS A 59 9.130 -2.643 6.940 1.00 0.00 C ATOM 866 C CYS A 59 9.302 -2.564 5.427 1.00 0.00 C ATOM 867 O CYS A 59 10.397 -2.772 4.906 1.00 0.00 O ATOM 868 CB CYS A 59 8.904 -1.243 7.514 1.00 0.00 C ATOM 869 SG CYS A 59 10.238 -0.076 7.159 1.00 0.00 S ATOM 0 H CYS A 59 11.176 -3.078 7.091 1.00 0.00 H new ATOM 0 HA CYS A 59 8.259 -3.262 7.156 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.971 -0.845 7.115 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.781 -1.320 8.594 1.00 0.00 H new ATOM 0 HG CYS A 59 9.739 1.015 6.658 1.00 0.00 H new ATOM 875 N ALA A 60 8.213 -2.263 4.728 1.00 0.00 N ATOM 876 CA ALA A 60 8.244 -2.157 3.274 1.00 0.00 C ATOM 877 C ALA A 60 7.085 -1.308 2.761 1.00 0.00 C ATOM 878 O ALA A 60 6.055 -1.181 3.424 1.00 0.00 O ATOM 879 CB ALA A 60 8.207 -3.540 2.643 1.00 0.00 C ATOM 0 H ALA A 60 7.298 -2.088 5.144 1.00 0.00 H new ATOM 0 HA ALA A 60 9.174 -1.665 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.231 -3.445 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.071 -4.115 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.293 -4.052 2.943 1.00 0.00 H new ATOM 885 N PHE A 61 7.260 -0.729 1.578 1.00 0.00 N ATOM 886 CA PHE A 61 6.229 0.109 0.977 1.00 0.00 C ATOM 887 C PHE A 61 5.774 -0.464 -0.362 1.00 0.00 C ATOM 888 O PHE A 61 6.595 -0.840 -1.199 1.00 0.00 O ATOM 889 CB PHE A 61 6.749 1.535 0.784 1.00 0.00 C ATOM 890 CG PHE A 61 7.310 2.143 2.038 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.609 1.869 2.435 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.539 2.989 2.819 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.128 2.427 3.588 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.052 3.549 3.973 1.00 0.00 C ATOM 895 CZ PHE A 61 8.349 3.269 4.358 1.00 0.00 C ATOM 0 H PHE A 61 8.106 -0.825 1.016 1.00 0.00 H new ATOM 0 HA PHE A 61 5.374 0.130 1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.521 1.531 0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.937 2.163 0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.223 1.212 1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.525 3.213 2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.142 2.205 3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.440 4.205 4.574 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.753 3.707 5.259 1.00 0.00 H new ATOM 905 N ALA A 62 4.461 -0.528 -0.557 1.00 0.00 N ATOM 906 CA ALA A 62 3.897 -1.053 -1.794 1.00 0.00 C ATOM 907 C ALA A 62 2.810 -0.131 -2.336 1.00 0.00 C ATOM 908 O ALA A 62 2.402 0.820 -1.671 1.00 0.00 O ATOM 909 CB ALA A 62 3.341 -2.451 -1.568 1.00 0.00 C ATOM 0 H ALA A 62 3.768 -0.223 0.126 1.00 0.00 H new ATOM 0 HA ALA A 62 4.695 -1.106 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.923 -2.831 -2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.141 -3.111 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.560 -2.414 -0.809 1.00 0.00 H new ATOM 915 N GLN A 63 2.346 -0.420 -3.548 1.00 0.00 N ATOM 916 CA GLN A 63 1.308 0.385 -4.179 1.00 0.00 C ATOM 917 C GLN A 63 0.313 -0.498 -4.926 1.00 0.00 C ATOM 918 O GLN A 63 0.691 -1.497 -5.538 1.00 0.00 O ATOM 919 CB GLN A 63 1.932 1.397 -5.142 1.00 0.00 C ATOM 920 CG GLN A 63 0.979 2.504 -5.563 1.00 0.00 C ATOM 921 CD GLN A 63 1.274 3.031 -6.954 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.490 2.837 -7.883 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.410 3.702 -7.104 1.00 0.00 N ATOM 0 H GLN A 63 2.673 -1.205 -4.112 1.00 0.00 H new ATOM 0 HA GLN A 63 0.773 0.922 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.808 1.843 -4.670 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.281 0.872 -6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.044 2.129 -5.530 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.042 3.324 -4.847 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.030 3.839 -6.306 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.662 4.080 -8.017 1.00 0.00 H new ATOM 932 N PHE A 64 -0.961 -0.123 -4.870 1.00 0.00 N ATOM 933 CA PHE A 64 -2.011 -0.881 -5.540 1.00 0.00 C ATOM 934 C PHE A 64 -2.436 -0.195 -6.835 1.00 0.00 C ATOM 935 O PHE A 64 -2.021 0.928 -7.120 1.00 0.00 O ATOM 936 CB PHE A 64 -3.219 -1.046 -4.616 1.00 0.00 C ATOM 937 CG PHE A 64 -3.120 -2.237 -3.706 1.00 0.00 C ATOM 938 CD1 PHE A 64 -2.411 -2.159 -2.517 1.00 0.00 C ATOM 939 CD2 PHE A 64 -3.735 -3.433 -4.038 1.00 0.00 C ATOM 940 CE1 PHE A 64 -2.318 -3.254 -1.678 1.00 0.00 C ATOM 941 CE2 PHE A 64 -3.645 -4.531 -3.203 1.00 0.00 C ATOM 942 CZ PHE A 64 -2.936 -4.441 -2.021 1.00 0.00 C ATOM 0 H PHE A 64 -1.291 0.701 -4.368 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.613 -1.866 -5.786 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.330 -0.146 -4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.120 -1.136 -5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.926 -1.233 -2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.292 -3.509 -4.960 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.762 -3.181 -0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.128 -5.458 -3.474 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.865 -5.297 -1.366 1.00 0.00 H new ATOM 952 N MET A 65 -3.267 -0.879 -7.615 1.00 0.00 N ATOM 953 CA MET A 65 -3.750 -0.336 -8.879 1.00 0.00 C ATOM 954 C MET A 65 -5.036 0.458 -8.674 1.00 0.00 C ATOM 955 O MET A 65 -5.354 1.357 -9.453 1.00 0.00 O ATOM 956 CB MET A 65 -3.988 -1.463 -9.886 1.00 0.00 C ATOM 957 CG MET A 65 -2.761 -1.806 -10.716 1.00 0.00 C ATOM 958 SD MET A 65 -2.372 -0.538 -11.937 1.00 0.00 S ATOM 959 CE MET A 65 -0.610 -0.786 -12.134 1.00 0.00 C ATOM 0 H MET A 65 -3.620 -1.810 -7.394 1.00 0.00 H new ATOM 0 HA MET A 65 -2.987 0.337 -9.271 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.315 -2.354 -9.351 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.800 -1.177 -10.554 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.906 -1.942 -10.054 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.925 -2.756 -11.224 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.188 0.041 -12.704 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.137 -0.830 -11.153 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.431 -1.721 -12.665 1.00 0.00 H new ATOM 969 N THR A 66 -5.773 0.121 -7.620 1.00 0.00 N ATOM 970 CA THR A 66 -7.025 0.801 -7.313 1.00 0.00 C ATOM 971 C THR A 66 -7.104 1.168 -5.836 1.00 0.00 C ATOM 972 O THR A 66 -6.719 0.381 -4.971 1.00 0.00 O ATOM 973 CB THR A 66 -8.242 -0.069 -7.680 1.00 0.00 C ATOM 974 OG1 THR A 66 -8.135 -1.351 -7.050 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.345 -0.247 -9.188 1.00 0.00 C ATOM 0 H THR A 66 -5.524 -0.620 -6.964 1.00 0.00 H new ATOM 0 HA THR A 66 -7.045 1.711 -7.912 1.00 0.00 H new ATOM 0 HB THR A 66 -9.141 0.436 -7.327 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.913 -1.898 -7.287 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.212 -0.865 -9.423 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.455 0.728 -9.663 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.442 -0.732 -9.560 1.00 0.00 H new ATOM 983 N GLN A 67 -7.605 2.366 -5.554 1.00 0.00 N ATOM 984 CA GLN A 67 -7.734 2.836 -4.180 1.00 0.00 C ATOM 985 C GLN A 67 -8.398 1.779 -3.303 1.00 0.00 C ATOM 986 O GLN A 67 -7.891 1.439 -2.235 1.00 0.00 O ATOM 987 CB GLN A 67 -8.542 4.134 -4.136 1.00 0.00 C ATOM 988 CG GLN A 67 -7.739 5.364 -4.526 1.00 0.00 C ATOM 989 CD GLN A 67 -8.619 6.548 -4.877 1.00 0.00 C ATOM 990 OE1 GLN A 67 -8.949 6.766 -6.043 1.00 0.00 O ATOM 991 NE2 GLN A 67 -9.004 7.320 -3.867 1.00 0.00 N ATOM 0 H GLN A 67 -7.928 3.029 -6.259 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.733 3.027 -3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.398 4.042 -4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.937 4.272 -3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.079 5.638 -3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.103 5.123 -5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.707 7.102 -2.916 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.597 8.131 -4.042 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.533 1.264 -3.764 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.267 0.247 -3.020 1.00 0.00 C ATOM 1002 C GLU A 68 -9.346 -0.901 -2.615 1.00 0.00 C ATOM 1003 O GLU A 68 -9.466 -1.451 -1.521 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.430 -0.289 -3.856 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.617 -0.748 -3.025 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.883 -0.892 -3.847 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -14.127 -0.033 -4.720 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -14.631 -1.866 -3.617 1.00 0.00 O ATOM 0 H GLU A 68 -9.964 1.534 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.662 0.710 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.759 0.488 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.077 -1.124 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.381 -1.704 -2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.790 -0.034 -2.220 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.427 -1.257 -3.507 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.485 -2.337 -3.243 1.00 0.00 C ATOM 1017 C ALA A 69 -6.744 -2.111 -1.930 1.00 0.00 C ATOM 1018 O ALA A 69 -6.827 -2.925 -1.011 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.498 -2.469 -4.394 1.00 0.00 C ATOM 0 H ALA A 69 -8.315 -0.813 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.050 -3.265 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.800 -3.279 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.040 -2.686 -5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.946 -1.536 -4.509 1.00 0.00 H new ATOM 1025 N ALA A 70 -6.017 -1.001 -1.850 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.262 -0.667 -0.649 1.00 0.00 C ATOM 1027 C ALA A 70 -6.124 -0.817 0.601 1.00 0.00 C ATOM 1028 O ALA A 70 -5.687 -1.387 1.601 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.713 0.748 -0.747 1.00 0.00 C ATOM 0 H ALA A 70 -5.935 -0.318 -2.603 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.428 -1.364 -0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.151 0.984 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.055 0.824 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.538 1.452 -0.855 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.347 -0.302 0.535 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.268 -0.379 1.663 1.00 0.00 C ATOM 1037 C GLN A 71 -8.570 -1.830 2.023 1.00 0.00 C ATOM 1038 O GLN A 71 -8.539 -2.210 3.193 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.568 0.360 1.338 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.360 1.812 0.942 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.239 2.474 1.719 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -8.482 3.301 2.599 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -7.002 2.113 1.398 1.00 0.00 N ATOM 0 H GLN A 71 -7.723 0.172 -0.286 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.792 0.096 2.521 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.078 -0.159 0.527 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.226 0.320 2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.139 1.866 -0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.285 2.365 1.104 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.847 1.424 0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.207 2.525 1.887 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.863 -2.637 1.008 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.170 -4.047 1.216 1.00 0.00 C ATOM 1054 C LYS A 72 -8.011 -4.760 1.904 1.00 0.00 C ATOM 1055 O LYS A 72 -8.216 -5.707 2.665 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.478 -4.725 -0.121 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.770 -4.247 -0.761 1.00 0.00 C ATOM 1058 CD LYS A 72 -10.978 -4.872 -2.131 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.330 -4.495 -2.717 1.00 0.00 C ATOM 1060 NZ LYS A 72 -12.855 -5.552 -3.624 1.00 0.00 N ATOM 0 H LYS A 72 -8.894 -2.338 0.033 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.047 -4.111 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.653 -4.544 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.535 -5.803 0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.611 -4.497 -0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.751 -3.161 -0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.185 -4.547 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.904 -5.957 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.041 -4.324 -1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.239 -3.558 -3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.778 -5.257 -4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.189 -5.698 -4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.966 -6.440 -3.094 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.795 -4.300 1.633 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.602 -4.895 2.228 1.00 0.00 C ATOM 1076 C CYS A 73 -5.490 -4.527 3.704 1.00 0.00 C ATOM 1077 O CYS A 73 -4.974 -5.302 4.510 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.351 -4.436 1.479 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.803 -4.777 2.349 1.00 0.00 S ATOM 0 H CYS A 73 -6.608 -3.518 1.006 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.687 -5.979 2.148 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.324 -4.925 0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.423 -3.364 1.295 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.063 -5.165 3.562 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.974 -3.340 4.051 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.927 -2.868 5.430 1.00 0.00 C ATOM 1087 C LEU A 74 -6.839 -3.702 6.323 1.00 0.00 C ATOM 1088 O LEU A 74 -6.373 -4.414 7.212 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.334 -1.395 5.500 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.400 -0.406 4.801 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -6.020 0.982 4.768 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -4.045 -0.371 5.494 1.00 0.00 C ATOM 0 H LEU A 74 -6.404 -2.687 3.396 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.903 -2.973 5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.329 -1.293 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.413 -1.110 6.549 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.252 -0.740 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.341 1.672 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.965 0.946 4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.199 1.325 5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.393 0.338 4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.175 -0.062 6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.595 -1.364 5.464 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.142 -3.612 6.078 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.120 -4.362 6.856 1.00 0.00 C ATOM 1106 C ALA A 75 -8.667 -5.803 7.065 1.00 0.00 C ATOM 1107 O ALA A 75 -9.053 -6.449 8.039 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.479 -4.327 6.172 1.00 0.00 C ATOM 0 H ALA A 75 -8.545 -3.027 5.346 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.207 -3.891 7.835 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.199 -4.891 6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.814 -3.294 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.398 -4.771 5.180 1.00 0.00 H new ATOM 1114 N ALA A 76 -7.848 -6.300 6.145 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.342 -7.664 6.229 1.00 0.00 C ATOM 1116 C ALA A 76 -6.096 -7.734 7.107 1.00 0.00 C ATOM 1117 O ALA A 76 -5.875 -8.721 7.808 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.040 -8.202 4.839 1.00 0.00 C ATOM 0 H ALA A 76 -7.520 -5.778 5.332 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.113 -8.283 6.687 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.663 -9.222 4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.951 -8.197 4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.289 -7.573 4.361 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.287 -6.681 7.062 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.065 -6.623 7.855 1.00 0.00 C ATOM 1126 C ALA A 77 -4.373 -6.334 9.320 1.00 0.00 C ATOM 1127 O ALA A 77 -3.723 -6.868 10.218 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.121 -5.570 7.294 1.00 0.00 C ATOM 0 H ALA A 77 -5.455 -5.857 6.485 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.579 -7.597 7.799 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.213 -5.538 7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.865 -5.822 6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.608 -4.595 7.319 1.00 0.00 H new ATOM 1134 N SER A 78 -5.369 -5.484 9.553 1.00 0.00 N ATOM 1135 CA SER A 78 -5.760 -5.120 10.910 1.00 0.00 C ATOM 1136 C SER A 78 -6.373 -6.313 11.637 1.00 0.00 C ATOM 1137 O SER A 78 -7.371 -6.882 11.192 1.00 0.00 O ATOM 1138 CB SER A 78 -6.757 -3.960 10.881 1.00 0.00 C ATOM 1139 OG SER A 78 -7.611 -3.994 12.011 1.00 0.00 O ATOM 0 H SER A 78 -5.919 -5.035 8.820 1.00 0.00 H new ATOM 0 HA SER A 78 -4.865 -4.809 11.449 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.218 -3.013 10.857 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.352 -4.011 9.969 1.00 0.00 H new ATOM 0 HG SER A 78 -8.238 -3.242 11.970 1.00 0.00 H new ATOM 1145 N LEU A 79 -5.768 -6.688 12.759 1.00 0.00 N ATOM 1146 CA LEU A 79 -6.253 -7.814 13.550 1.00 0.00 C ATOM 1147 C LEU A 79 -7.481 -7.419 14.364 1.00 0.00 C ATOM 1148 O LEU A 79 -8.286 -8.269 14.741 1.00 0.00 O ATOM 1149 CB LEU A 79 -5.150 -8.319 14.482 1.00 0.00 C ATOM 1150 CG LEU A 79 -4.765 -7.389 15.633 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -4.285 -8.192 16.832 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -3.694 -6.404 15.186 1.00 0.00 C ATOM 0 H LEU A 79 -4.941 -6.229 13.141 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.536 -8.613 12.865 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.467 -9.273 14.903 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.259 -8.514 13.885 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.649 -6.825 15.930 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.016 -7.513 17.641 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.081 -8.857 17.167 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.414 -8.783 16.549 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.432 -5.750 16.017 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.809 -6.951 14.862 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.073 -5.805 14.358 1.00 0.00 H new ATOM 1164 N GLU A 80 -7.617 -6.123 14.629 1.00 0.00 N ATOM 1165 CA GLU A 80 -8.749 -5.617 15.397 1.00 0.00 C ATOM 1166 C GLU A 80 -9.936 -5.320 14.485 1.00 0.00 C ATOM 1167 O GLU A 80 -10.984 -4.865 14.942 1.00 0.00 O ATOM 1168 CB GLU A 80 -8.350 -4.352 16.161 1.00 0.00 C ATOM 1169 CG GLU A 80 -7.861 -3.228 15.263 1.00 0.00 C ATOM 1170 CD GLU A 80 -7.908 -1.875 15.946 1.00 0.00 C ATOM 1171 OE1 GLU A 80 -7.460 -1.780 17.108 1.00 0.00 O ATOM 1172 OE2 GLU A 80 -8.391 -0.910 15.317 1.00 0.00 O ATOM 0 H GLU A 80 -6.959 -5.406 14.324 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.045 -6.386 16.110 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.206 -4.000 16.736 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.566 -4.602 16.876 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.838 -3.437 14.949 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.471 -3.197 14.361 1.00 0.00 H new ATOM 1179 N ALA A 81 -9.762 -5.581 13.193 1.00 0.00 N ATOM 1180 CA ALA A 81 -10.818 -5.343 12.217 1.00 0.00 C ATOM 1181 C ALA A 81 -11.916 -6.396 12.330 1.00 0.00 C ATOM 1182 O ALA A 81 -12.986 -6.132 12.878 1.00 0.00 O ATOM 1183 CB ALA A 81 -10.242 -5.328 10.809 1.00 0.00 C ATOM 0 H ALA A 81 -8.900 -5.957 12.799 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.260 -4.369 12.427 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.042 -5.149 10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.498 -4.535 10.729 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.773 -6.289 10.598 1.00 0.00 H new ATOM 1189 N GLU A 82 -11.644 -7.587 11.807 1.00 0.00 N ATOM 1190 CA GLU A 82 -12.611 -8.678 11.849 1.00 0.00 C ATOM 1191 C GLU A 82 -11.914 -10.028 11.708 1.00 0.00 C ATOM 1192 O GLU A 82 -11.279 -10.308 10.692 1.00 0.00 O ATOM 1193 CB GLU A 82 -13.651 -8.510 10.739 1.00 0.00 C ATOM 1194 CG GLU A 82 -14.926 -7.823 11.199 1.00 0.00 C ATOM 1195 CD GLU A 82 -15.578 -7.007 10.100 1.00 0.00 C ATOM 1196 OE1 GLU A 82 -16.292 -7.599 9.264 1.00 0.00 O ATOM 1197 OE2 GLU A 82 -15.373 -5.775 10.076 1.00 0.00 O ATOM 0 H GLU A 82 -10.763 -7.821 11.350 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.114 -8.647 12.816 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.211 -7.934 9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.902 -9.491 10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.631 -8.574 11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -14.699 -7.172 12.044 1.00 0.00 H new ATOM 1204 N GLY A 83 -12.038 -10.862 12.736 1.00 0.00 N ATOM 1205 CA GLY A 83 -11.415 -12.172 12.708 1.00 0.00 C ATOM 1206 C GLY A 83 -9.941 -12.121 13.059 1.00 0.00 C ATOM 1207 O GLY A 83 -9.466 -12.897 13.887 1.00 0.00 O ATOM 0 H GLY A 83 -12.559 -10.653 13.588 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.929 -12.830 13.408 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.534 -12.606 11.715 1.00 0.00 H new ATOM 1211 N GLY A 84 -9.215 -11.205 12.425 1.00 0.00 N ATOM 1212 CA GLY A 84 -7.793 -11.075 12.687 1.00 0.00 C ATOM 1213 C GLY A 84 -7.044 -10.457 11.523 1.00 0.00 C ATOM 1214 O GLY A 84 -7.642 -10.105 10.508 1.00 0.00 O ATOM 0 H GLY A 84 -9.586 -10.551 11.735 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.645 -10.463 13.577 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.375 -12.058 12.903 1.00 0.00 H new ATOM 1218 N GLY A 85 -5.729 -10.324 11.672 1.00 0.00 N ATOM 1219 CA GLY A 85 -4.918 -9.743 10.618 1.00 0.00 C ATOM 1220 C GLY A 85 -4.113 -10.784 9.865 1.00 0.00 C ATOM 1221 O GLY A 85 -4.329 -11.985 10.030 1.00 0.00 O ATOM 0 H GLY A 85 -5.211 -10.608 12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.563 -9.211 9.919 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.240 -9.006 11.049 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.184 -10.324 9.035 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.344 -11.223 8.252 1.00 0.00 C ATOM 1227 C LEU A 86 -1.051 -11.545 8.994 1.00 0.00 C ATOM 1228 O LEU A 86 -0.652 -10.825 9.910 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.024 -10.600 6.892 1.00 0.00 C ATOM 1230 CG LEU A 86 -3.010 -10.907 5.764 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.289 -10.104 5.941 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.378 -10.616 4.410 1.00 0.00 C ATOM 0 H LEU A 86 -2.993 -9.333 8.887 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.894 -12.152 8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.968 -9.518 7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.034 -10.937 6.584 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.262 -11.967 5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.979 -10.335 5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.751 -10.361 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.055 -9.039 5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.093 -10.840 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.097 -9.564 4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.490 -11.235 4.282 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.398 -12.630 8.591 1.00 0.00 N ATOM 1245 CA LYS A 87 0.852 -13.046 9.215 1.00 0.00 C ATOM 1246 C LYS A 87 1.767 -13.724 8.200 1.00 0.00 C ATOM 1247 O LYS A 87 1.338 -14.602 7.450 1.00 0.00 O ATOM 1248 CB LYS A 87 0.573 -13.998 10.380 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.045 -13.316 11.588 1.00 0.00 C ATOM 1250 CD LYS A 87 0.330 -14.021 12.880 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.314 -13.355 14.087 1.00 0.00 C ATOM 1252 NZ LYS A 87 -1.730 -13.780 14.264 1.00 0.00 N ATOM 0 H LYS A 87 -0.714 -13.237 7.835 1.00 0.00 H new ATOM 0 HA LYS A 87 1.354 -12.155 9.594 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.094 -14.790 10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.506 -14.475 10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.286 -12.278 11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.130 -13.301 11.483 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.019 -15.064 12.830 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.414 -14.017 12.996 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.254 -13.601 14.984 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.272 -12.272 13.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.134 -13.305 15.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.278 -13.522 13.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.769 -14.810 14.401 1.00 0.00 H new ATOM 1266 N LEU A 88 3.030 -13.312 8.182 1.00 0.00 N ATOM 1267 CA LEU A 88 4.007 -13.881 7.259 1.00 0.00 C ATOM 1268 C LEU A 88 5.125 -14.588 8.018 1.00 0.00 C ATOM 1269 O LEU A 88 6.059 -13.950 8.504 1.00 0.00 O ATOM 1270 CB LEU A 88 4.594 -12.785 6.368 1.00 0.00 C ATOM 1271 CG LEU A 88 5.152 -13.243 5.020 1.00 0.00 C ATOM 1272 CD1 LEU A 88 4.044 -13.317 3.981 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.259 -12.309 4.555 1.00 0.00 C ATOM 0 H LEU A 88 3.402 -12.587 8.795 1.00 0.00 H new ATOM 0 HA LEU A 88 3.497 -14.614 6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.819 -12.041 6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.392 -12.286 6.918 1.00 0.00 H new ATOM 0 HG LEU A 88 5.574 -14.240 5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.460 -13.645 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.285 -14.027 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.592 -12.332 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.644 -12.651 3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.862 -11.299 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.065 -12.307 5.289 1.00 0.00 H new ATOM 1285 N ASP A 89 5.024 -15.909 8.113 1.00 0.00 N ATOM 1286 CA ASP A 89 6.029 -16.704 8.810 1.00 0.00 C ATOM 1287 C ASP A 89 5.894 -16.547 10.321 1.00 0.00 C ATOM 1288 O ASP A 89 6.870 -16.683 11.059 1.00 0.00 O ATOM 1289 CB ASP A 89 7.434 -16.294 8.365 1.00 0.00 C ATOM 1290 CG ASP A 89 8.467 -17.367 8.647 1.00 0.00 C ATOM 1291 OD1 ASP A 89 8.224 -18.536 8.282 1.00 0.00 O ATOM 1292 OD2 ASP A 89 9.519 -17.037 9.233 1.00 0.00 O ATOM 0 H ASP A 89 4.257 -16.452 7.717 1.00 0.00 H new ATOM 0 HA ASP A 89 5.868 -17.752 8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.424 -16.075 7.297 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.720 -15.375 8.876 1.00 0.00 H new ATOM 1297 N GLY A 90 4.679 -16.258 10.775 1.00 0.00 N ATOM 1298 CA GLY A 90 4.439 -16.086 12.196 1.00 0.00 C ATOM 1299 C GLY A 90 4.710 -14.669 12.662 1.00 0.00 C ATOM 1300 O GLY A 90 5.022 -14.442 13.831 1.00 0.00 O ATOM 0 H GLY A 90 3.856 -16.140 10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.405 -16.348 12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.071 -16.776 12.754 1.00 0.00 H new ATOM 1304 N ARG A 91 4.593 -13.714 11.746 1.00 0.00 N ATOM 1305 CA ARG A 91 4.831 -12.312 12.068 1.00 0.00 C ATOM 1306 C ARG A 91 3.641 -11.450 11.658 1.00 0.00 C ATOM 1307 O ARG A 91 3.268 -11.408 10.486 1.00 0.00 O ATOM 1308 CB ARG A 91 6.099 -11.814 11.372 1.00 0.00 C ATOM 1309 CG ARG A 91 7.383 -12.280 12.038 1.00 0.00 C ATOM 1310 CD ARG A 91 7.835 -11.308 13.117 1.00 0.00 C ATOM 1311 NE ARG A 91 9.013 -11.792 13.831 1.00 0.00 N ATOM 1312 CZ ARG A 91 9.444 -11.273 14.976 1.00 0.00 C ATOM 1313 NH1 ARG A 91 8.795 -10.260 15.533 1.00 0.00 N ATOM 1314 NH2 ARG A 91 10.524 -11.769 15.566 1.00 0.00 N ATOM 0 H ARG A 91 4.335 -13.885 10.774 1.00 0.00 H new ATOM 0 HA ARG A 91 4.962 -12.231 13.147 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.093 -12.155 10.337 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.086 -10.724 11.349 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.230 -13.266 12.476 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.167 -12.383 11.288 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.057 -10.342 12.664 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.022 -11.149 13.825 1.00 0.00 H new ATOM 0 HE ARG A 91 9.534 -12.571 13.429 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.963 -9.878 15.083 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.127 -9.863 16.412 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.024 -12.549 15.141 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.854 -11.370 16.445 1.00 0.00 H new ATOM 1328 N GLN A 92 3.049 -10.765 12.632 1.00 0.00 N ATOM 1329 CA GLN A 92 1.901 -9.906 12.372 1.00 0.00 C ATOM 1330 C GLN A 92 2.291 -8.730 11.482 1.00 0.00 C ATOM 1331 O GLN A 92 3.157 -7.929 11.838 1.00 0.00 O ATOM 1332 CB GLN A 92 1.313 -9.392 13.687 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.183 -9.129 13.623 1.00 0.00 C ATOM 1334 CD GLN A 92 -0.533 -7.971 12.709 1.00 0.00 C ATOM 1335 OE1 GLN A 92 0.190 -6.976 12.643 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.647 -8.095 11.997 1.00 0.00 N ATOM 0 H GLN A 92 3.346 -10.789 13.608 1.00 0.00 H new ATOM 0 HA GLN A 92 1.148 -10.498 11.852 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.512 -10.120 14.473 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.824 -8.471 13.968 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.692 -10.028 13.275 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.555 -8.920 14.626 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.216 -8.937 12.083 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.934 -7.348 11.364 1.00 0.00 H new ATOM 1345 N LEU A 93 1.648 -8.632 10.324 1.00 0.00 N ATOM 1346 CA LEU A 93 1.928 -7.554 9.382 1.00 0.00 C ATOM 1347 C LEU A 93 0.964 -6.389 9.585 1.00 0.00 C ATOM 1348 O LEU A 93 -0.248 -6.581 9.680 1.00 0.00 O ATOM 1349 CB LEU A 93 1.830 -8.067 7.945 1.00 0.00 C ATOM 1350 CG LEU A 93 2.425 -9.451 7.684 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.027 -9.952 6.304 1.00 0.00 C ATOM 1352 CD2 LEU A 93 3.940 -9.415 7.824 1.00 0.00 C ATOM 0 H LEU A 93 0.929 -9.286 10.015 1.00 0.00 H new ATOM 0 HA LEU A 93 2.942 -7.199 9.566 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.779 -8.086 7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.326 -7.351 7.290 1.00 0.00 H new ATOM 0 HG LEU A 93 2.028 -10.142 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.460 -10.938 6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.941 -10.017 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.395 -9.261 5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.347 -10.408 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.355 -8.710 7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.205 -9.101 8.834 1.00 0.00 H new ATOM 1364 N LYS A 94 1.511 -5.180 9.650 1.00 0.00 N ATOM 1365 CA LYS A 94 0.700 -3.982 9.838 1.00 0.00 C ATOM 1366 C LYS A 94 0.680 -3.134 8.570 1.00 0.00 C ATOM 1367 O LYS A 94 1.640 -2.424 8.271 1.00 0.00 O ATOM 1368 CB LYS A 94 1.238 -3.156 11.008 1.00 0.00 C ATOM 1369 CG LYS A 94 0.623 -3.526 12.347 1.00 0.00 C ATOM 1370 CD LYS A 94 0.841 -2.434 13.381 1.00 0.00 C ATOM 1371 CE LYS A 94 -0.034 -2.645 14.607 1.00 0.00 C ATOM 1372 NZ LYS A 94 -1.426 -2.167 14.384 1.00 0.00 N ATOM 0 H LYS A 94 2.513 -5.003 9.575 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.320 -4.295 10.061 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.319 -3.285 11.066 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.053 -2.100 10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.445 -3.702 12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.060 -4.459 12.704 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.889 -2.418 13.679 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.621 -1.463 12.938 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.051 -3.704 14.863 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.399 -2.118 15.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.990 -2.329 15.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.413 -1.151 14.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.849 -2.688 13.589 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.421 -3.212 7.829 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.567 -2.450 6.594 1.00 0.00 C ATOM 1388 C VAL A 95 -1.355 -1.167 6.831 1.00 0.00 C ATOM 1389 O VAL A 95 -2.457 -1.195 7.380 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.271 -3.278 5.503 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.269 -2.529 4.179 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.608 -4.639 5.357 1.00 0.00 C ATOM 0 H VAL A 95 -1.225 -3.795 8.062 1.00 0.00 H new ATOM 0 HA VAL A 95 0.438 -2.199 6.256 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.307 -3.435 5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.771 -3.130 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.794 -1.581 4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.241 -2.339 3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.118 -5.211 4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.438 -4.506 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.668 -5.176 6.303 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.784 -0.043 6.414 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.434 1.252 6.579 1.00 0.00 C ATOM 1404 C ASP A 96 -1.195 2.139 5.361 1.00 0.00 C ATOM 1405 O ASP A 96 -0.116 2.121 4.768 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.919 1.948 7.840 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.712 3.196 8.178 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -1.446 4.251 7.565 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -2.597 3.117 9.055 1.00 0.00 O ATOM 0 H ASP A 96 0.128 -0.002 5.959 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.506 1.083 6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.965 1.254 8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.129 2.213 7.703 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.210 2.913 4.991 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.112 3.807 3.843 1.00 0.00 C ATOM 1416 C LEU A 97 -1.016 4.847 4.054 1.00 0.00 C ATOM 1417 O LEU A 97 -1.218 5.844 4.745 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.451 4.503 3.598 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.593 5.234 2.262 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.267 5.852 1.848 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.101 4.286 1.186 1.00 0.00 C ATOM 0 H LEU A 97 -3.110 2.939 5.470 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.855 3.209 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.243 3.758 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.617 5.221 4.401 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.321 6.036 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.388 6.368 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.944 6.564 2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.517 5.068 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.196 4.824 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.397 3.462 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.074 3.892 1.478 1.00 0.00 H new ATOM 1433 N ALA A 98 0.144 4.607 3.451 1.00 0.00 N ATOM 1434 CA ALA A 98 1.270 5.524 3.570 1.00 0.00 C ATOM 1435 C ALA A 98 1.154 6.669 2.568 1.00 0.00 C ATOM 1436 O ALA A 98 0.170 6.768 1.836 1.00 0.00 O ATOM 1437 CB ALA A 98 2.582 4.779 3.372 1.00 0.00 C ATOM 0 H ALA A 98 0.328 3.785 2.875 1.00 0.00 H new ATOM 0 HA ALA A 98 1.255 5.950 4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.414 5.477 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.676 4.001 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.597 4.325 2.381 1.00 0.00 H new ATOM 1443 N VAL A 99 2.165 7.531 2.542 1.00 0.00 N ATOM 1444 CA VAL A 99 2.176 8.669 1.630 1.00 0.00 C ATOM 1445 C VAL A 99 3.450 8.691 0.794 1.00 0.00 C ATOM 1446 O VAL A 99 4.540 8.945 1.309 1.00 0.00 O ATOM 1447 CB VAL A 99 2.053 10.001 2.393 1.00 0.00 C ATOM 1448 CG1 VAL A 99 2.135 11.177 1.432 1.00 0.00 C ATOM 1449 CG2 VAL A 99 0.756 10.041 3.188 1.00 0.00 C ATOM 0 H VAL A 99 2.987 7.463 3.142 1.00 0.00 H new ATOM 0 HA VAL A 99 1.315 8.555 0.972 1.00 0.00 H new ATOM 0 HB VAL A 99 2.885 10.077 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.046 12.109 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.092 11.155 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.325 11.110 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.685 10.989 3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.091 9.943 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.743 9.220 3.905 1.00 0.00 H new ATOM 1459 N THR A 100 3.308 8.423 -0.500 1.00 0.00 N ATOM 1460 CA THR A 100 4.447 8.411 -1.409 1.00 0.00 C ATOM 1461 C THR A 100 4.786 9.819 -1.884 1.00 0.00 C ATOM 1462 O THR A 100 4.239 10.297 -2.878 1.00 0.00 O ATOM 1463 CB THR A 100 4.179 7.518 -2.635 1.00 0.00 C ATOM 1464 OG1 THR A 100 3.751 6.218 -2.211 1.00 0.00 O ATOM 1465 CG2 THR A 100 5.427 7.391 -3.495 1.00 0.00 C ATOM 0 H THR A 100 2.414 8.211 -0.943 1.00 0.00 H new ATOM 0 HA THR A 100 5.291 8.005 -0.852 1.00 0.00 H new ATOM 0 HB THR A 100 3.393 7.983 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.581 5.657 -2.997 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.213 6.756 -4.355 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.733 8.379 -3.840 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.230 6.947 -2.907 1.00 0.00 H new ATOM 1473 N ARG A 101 5.692 10.478 -1.169 1.00 0.00 N ATOM 1474 CA ARG A 101 6.103 11.832 -1.518 1.00 0.00 C ATOM 1475 C ARG A 101 6.843 11.848 -2.853 1.00 0.00 C ATOM 1476 O ARG A 101 7.293 10.810 -3.337 1.00 0.00 O ATOM 1477 CB ARG A 101 6.995 12.416 -0.421 1.00 0.00 C ATOM 1478 CG ARG A 101 8.212 11.561 -0.106 1.00 0.00 C ATOM 1479 CD ARG A 101 9.344 11.821 -1.088 1.00 0.00 C ATOM 1480 NE ARG A 101 10.625 11.331 -0.587 1.00 0.00 N ATOM 1481 CZ ARG A 101 11.727 11.267 -1.327 1.00 0.00 C ATOM 1482 NH1 ARG A 101 11.704 11.661 -2.592 1.00 0.00 N ATOM 1483 NH2 ARG A 101 12.856 10.809 -0.800 1.00 0.00 N ATOM 0 H ARG A 101 6.155 10.096 -0.345 1.00 0.00 H new ATOM 0 HA ARG A 101 5.206 12.445 -1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 101 7.328 13.409 -0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.405 12.542 0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 101 8.553 11.771 0.908 1.00 0.00 H new ATOM 0 HG3 ARG A 101 7.936 10.507 -0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 101 9.118 11.338 -2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 101 9.416 12.891 -1.283 1.00 0.00 H new ATOM 0 HE ARG A 101 10.677 11.021 0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.839 12.015 -3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 101 12.552 11.611 -3.157 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.878 10.506 0.174 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.701 10.760 -1.369 1.00 0.00 H new ATOM 1497 N ASP A 102 6.965 13.033 -3.441 1.00 0.00 N ATOM 1498 CA ASP A 102 7.650 13.185 -4.719 1.00 0.00 C ATOM 1499 C ASP A 102 8.704 14.285 -4.643 1.00 0.00 C ATOM 1500 O ASP A 102 8.474 15.337 -4.048 1.00 0.00 O ATOM 1501 CB ASP A 102 6.645 13.501 -5.828 1.00 0.00 C ATOM 1502 CG ASP A 102 5.342 12.744 -5.661 1.00 0.00 C ATOM 1503 OD1 ASP A 102 4.516 13.162 -4.823 1.00 0.00 O ATOM 1504 OD2 ASP A 102 5.149 11.732 -6.367 1.00 0.00 O ATOM 0 H ASP A 102 6.598 13.902 -3.053 1.00 0.00 H new ATOM 0 HA ASP A 102 8.148 12.243 -4.949 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.441 14.572 -5.836 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.085 13.253 -6.794 1.00 0.00 H new ATOM 1509 N GLU A 103 9.861 14.033 -5.249 1.00 0.00 N ATOM 1510 CA GLU A 103 10.950 15.002 -5.247 1.00 0.00 C ATOM 1511 C GLU A 103 11.132 15.618 -6.631 1.00 0.00 C ATOM 1512 O GLU A 103 12.256 15.804 -7.096 1.00 0.00 O ATOM 1513 CB GLU A 103 12.253 14.337 -4.798 1.00 0.00 C ATOM 1514 CG GLU A 103 13.324 15.324 -4.366 1.00 0.00 C ATOM 1515 CD GLU A 103 14.555 14.642 -3.802 1.00 0.00 C ATOM 1516 OE1 GLU A 103 15.325 14.058 -4.593 1.00 0.00 O ATOM 1517 OE2 GLU A 103 14.747 14.692 -2.569 1.00 0.00 O ATOM 0 H GLU A 103 10.067 13.167 -5.747 1.00 0.00 H new ATOM 0 HA GLU A 103 10.695 15.796 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.039 13.661 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.640 13.728 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.613 15.937 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.910 15.997 -3.615 1.00 0.00 H new ATOM 1524 N ALA A 104 10.018 15.933 -7.283 1.00 0.00 N ATOM 1525 CA ALA A 104 10.054 16.530 -8.612 1.00 0.00 C ATOM 1526 C ALA A 104 10.343 18.026 -8.535 1.00 0.00 C ATOM 1527 O ALA A 104 9.515 18.804 -8.062 1.00 0.00 O ATOM 1528 CB ALA A 104 8.740 16.282 -9.338 1.00 0.00 C ATOM 0 H ALA A 104 9.079 15.785 -6.912 1.00 0.00 H new ATOM 0 HA ALA A 104 10.861 16.059 -9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.781 16.733 -10.329 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.575 15.209 -9.435 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.922 16.726 -8.771 1.00 0.00 H new ATOM 1534 N ALA A 105 11.523 18.420 -9.002 1.00 0.00 N ATOM 1535 CA ALA A 105 11.920 19.822 -8.986 1.00 0.00 C ATOM 1536 C ALA A 105 11.722 20.434 -7.604 1.00 0.00 C ATOM 1537 O ALA A 105 11.246 21.562 -7.476 1.00 0.00 O ATOM 1538 CB ALA A 105 11.136 20.605 -10.029 1.00 0.00 C ATOM 0 H ALA A 105 12.220 17.788 -9.396 1.00 0.00 H new ATOM 0 HA ALA A 105 12.981 19.875 -9.229 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.443 21.651 -10.006 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.332 20.191 -11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 105 10.070 20.535 -9.811 1.00 0.00 H new ATOM 1544 N SER A 106 12.090 19.683 -6.571 1.00 0.00 N ATOM 1545 CA SER A 106 11.948 20.150 -5.197 1.00 0.00 C ATOM 1546 C SER A 106 13.103 21.070 -4.814 1.00 0.00 C ATOM 1547 O SER A 106 14.096 20.631 -4.234 1.00 0.00 O ATOM 1548 CB SER A 106 11.888 18.961 -4.235 1.00 0.00 C ATOM 1549 OG SER A 106 10.561 18.483 -4.098 1.00 0.00 O ATOM 0 H SER A 106 12.489 18.748 -6.660 1.00 0.00 H new ATOM 0 HA SER A 106 11.018 20.714 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.530 18.160 -4.601 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.273 19.258 -3.260 1.00 0.00 H new ATOM 0 HG SER A 106 10.549 17.723 -3.480 1.00 0.00 H new ATOM 1555 N GLY A 107 12.966 22.351 -5.144 1.00 0.00 N ATOM 1556 CA GLY A 107 14.004 23.314 -4.827 1.00 0.00 C ATOM 1557 C GLY A 107 14.054 24.459 -5.819 1.00 0.00 C ATOM 1558 O GLY A 107 13.859 24.277 -7.021 1.00 0.00 O ATOM 0 H GLY A 107 12.154 22.739 -5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.834 23.711 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.970 22.810 -4.810 1.00 0.00 H new ATOM 1562 N PRO A 108 14.319 25.673 -5.314 1.00 0.00 N ATOM 1563 CA PRO A 108 14.399 26.877 -6.146 1.00 0.00 C ATOM 1564 C PRO A 108 15.628 26.877 -7.049 1.00 0.00 C ATOM 1565 O PRO A 108 16.443 25.955 -7.005 1.00 0.00 O ATOM 1566 CB PRO A 108 14.488 28.011 -5.123 1.00 0.00 C ATOM 1567 CG PRO A 108 15.071 27.379 -3.906 1.00 0.00 C ATOM 1568 CD PRO A 108 14.562 25.964 -3.891 1.00 0.00 C ATOM 0 HA PRO A 108 13.549 26.961 -6.823 1.00 0.00 H new ATOM 0 HB2 PRO A 108 15.117 28.824 -5.487 1.00 0.00 H new ATOM 0 HB3 PRO A 108 13.506 28.436 -4.916 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.160 27.402 -3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 108 14.767 27.913 -3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 108 15.292 25.279 -3.460 1.00 0.00 H new ATOM 0 HD3 PRO A 108 13.650 25.871 -3.301 1.00 0.00 H new ATOM 1576 N SER A 109 15.755 27.916 -7.868 1.00 0.00 N ATOM 1577 CA SER A 109 16.883 28.033 -8.785 1.00 0.00 C ATOM 1578 C SER A 109 17.895 29.054 -8.272 1.00 0.00 C ATOM 1579 O SER A 109 17.724 30.259 -8.454 1.00 0.00 O ATOM 1580 CB SER A 109 16.396 28.437 -10.178 1.00 0.00 C ATOM 1581 OG SER A 109 17.454 28.397 -11.120 1.00 0.00 O ATOM 0 H SER A 109 15.091 28.689 -7.915 1.00 0.00 H new ATOM 0 HA SER A 109 17.372 27.061 -8.847 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.597 27.767 -10.496 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.975 29.442 -10.142 1.00 0.00 H new ATOM 0 HG SER A 109 17.116 28.658 -12.002 1.00 0.00 H new ATOM 1587 N SER A 110 18.949 28.561 -7.630 1.00 0.00 N ATOM 1588 CA SER A 110 19.988 29.428 -7.087 1.00 0.00 C ATOM 1589 C SER A 110 21.333 28.709 -7.051 1.00 0.00 C ATOM 1590 O SER A 110 21.393 27.480 -7.056 1.00 0.00 O ATOM 1591 CB SER A 110 19.609 29.895 -5.680 1.00 0.00 C ATOM 1592 OG SER A 110 18.364 30.573 -5.686 1.00 0.00 O ATOM 0 H SER A 110 19.106 27.565 -7.473 1.00 0.00 H new ATOM 0 HA SER A 110 20.078 30.297 -7.739 1.00 0.00 H new ATOM 0 HB2 SER A 110 19.556 29.037 -5.010 1.00 0.00 H new ATOM 0 HB3 SER A 110 20.384 30.555 -5.291 1.00 0.00 H new ATOM 0 HG SER A 110 18.143 30.860 -4.775 1.00 0.00 H new ATOM 1598 N GLY A 111 22.412 29.485 -7.015 1.00 0.00 N ATOM 1599 CA GLY A 111 23.742 28.906 -6.978 1.00 0.00 C ATOM 1600 C GLY A 111 23.913 27.784 -7.983 1.00 0.00 C ATOM 1601 O GLY A 111 24.858 27.787 -8.773 1.00 0.00 O ATOM 0 H GLY A 111 22.389 30.505 -7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 111 24.479 29.684 -7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 111 23.942 28.526 -5.976 1.00 0.00 H new TER 1605 GLY A 111