USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 905 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 91 THR OG1 : rot 168:sc= -1.92! USER MOD Set 1.2: A 92 GLN : amide:sc= 0 X(o=-1.9,f=-1.9) USER MOD Set 2.1: A 41 GLN : amide:sc= 0.189 X(o=-3.7,f=-3.7) USER MOD Set 2.2: A 43 ASN : amide:sc= -0.491 K(o=-3.7,f=-8.9!) USER MOD Set 2.3: A 58 ASN : amide:sc= 0.25 K(o=-3.7,f=-17!) USER MOD Set 2.4: A 59 SER OG : rot 0:sc= -0.0416! USER MOD Set 2.5: A 82 HIS : no HE2:sc= -3.56 K(o=-3.7,f=-8.5!) USER MOD Set 3.1: A 1 MET N :NH3+ -113:sc= 0.76 (180deg=0) USER MOD Set 3.2: A 3 ASN : amide:sc= 0.679 K(o=1.4,f=-1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -108:sc= 0.237 USER MOD Single : A 13 SER OG : rot 180:sc= -0.978 USER MOD Single : A 14 GLN : amide:sc= 0.0403 X(o=0.04,f=-0.00083) USER MOD Single : A 15 ASN :FLIP amide:sc= -1.64! C(o=-3!,f=-1.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -117:sc= -0.779! USER MOD Single : A 27 HIS : no HD1:sc= 0.00714 K(o=0.0071,f=-3.6!) USER MOD Single : A 28 LYS NZ :NH3+ -110:sc= -0.794 (180deg=-2.92!) USER MOD Single : A 30 ASN : amide:sc= -0.365 K(o=-0.36,f=-1.8!) USER MOD Single : A 32 GLN : amide:sc= 0.844 K(o=0.84,f=-0.93) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 36 LYS NZ :NH3+ 163:sc= -0.046 (180deg=-0.375) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.016) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -163:sc= -0.079 (180deg=-0.426) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0999) USER MOD Single : A 62 GLN : amide:sc= 1.3 K(o=1.3,f=-0.39) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= -0.015 (180deg=-0.148) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= -0.192 (180deg=-0.696) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -139:sc= 1.12 (180deg=0.207) USER MOD Single : A 90 SER OG : rot 180:sc= 0.244 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 135:sc= 1.03 (180deg=0.0816) USER MOD Single : A 100 THR OG1 : rot -47:sc= 0.882 USER MOD Single : A 106 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HE2:sc= 0.318 K(o=0.32,f=-3.3!) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HE2:sc= -0.708 K(o=-0.71,f=-2.5!) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.064 -20.818 -7.013 1.00 13.05 N ATOM 2 CA MET A 1 12.765 -20.736 -6.291 1.00 0.31 C ATOM 3 C MET A 1 12.771 -19.571 -5.289 1.00 5.14 C ATOM 4 O MET A 1 13.389 -19.660 -4.224 1.00 34.34 O ATOM 5 CB MET A 1 12.476 -22.060 -5.563 1.00 71.22 C ATOM 6 CG MET A 1 11.094 -22.121 -4.930 1.00 72.22 C ATOM 7 SD MET A 1 9.782 -21.893 -6.147 1.00 42.33 S ATOM 8 CE MET A 1 8.333 -21.914 -5.092 1.00 42.30 C ATOM 0 H1 MET A 1 13.918 -20.589 -8.017 1.00 13.05 H new ATOM 0 H2 MET A 1 14.736 -20.142 -6.597 1.00 13.05 H new ATOM 0 H3 MET A 1 14.447 -21.781 -6.930 1.00 13.05 H new ATOM 0 HA MET A 1 11.978 -20.556 -7.023 1.00 0.31 H new ATOM 0 HB2 MET A 1 12.579 -22.883 -6.270 1.00 71.22 H new ATOM 0 HB3 MET A 1 13.228 -22.210 -4.788 1.00 71.22 H new ATOM 0 HG2 MET A 1 10.965 -23.083 -4.434 1.00 72.22 H new ATOM 0 HG3 MET A 1 11.013 -21.352 -4.161 1.00 72.22 H new ATOM 0 HE1 MET A 1 7.438 -21.784 -5.700 1.00 42.30 H new ATOM 0 HE2 MET A 1 8.279 -22.868 -4.567 1.00 42.30 H new ATOM 0 HE3 MET A 1 8.400 -21.103 -4.366 1.00 42.30 H new ATOM 20 N LYS A 2 12.087 -18.478 -5.644 1.00 21.35 N ATOM 21 CA LYS A 2 12.056 -17.258 -4.819 1.00 65.22 C ATOM 22 C LYS A 2 13.471 -16.723 -4.531 1.00 51.31 C ATOM 23 O LYS A 2 13.951 -16.786 -3.394 1.00 42.41 O ATOM 24 CB LYS A 2 11.314 -17.499 -3.493 1.00 4.04 C ATOM 25 CG LYS A 2 9.828 -17.809 -3.648 1.00 24.54 C ATOM 26 CD LYS A 2 9.151 -17.973 -2.290 1.00 54.53 C ATOM 27 CE LYS A 2 7.653 -18.213 -2.422 1.00 30.21 C ATOM 28 NZ LYS A 2 7.004 -18.347 -1.092 1.00 33.34 N ATOM 0 H LYS A 2 11.542 -18.410 -6.504 1.00 21.35 H new ATOM 0 HA LYS A 2 11.516 -16.506 -5.395 1.00 65.22 H new ATOM 0 HB2 LYS A 2 11.792 -18.326 -2.969 1.00 4.04 H new ATOM 0 HB3 LYS A 2 11.425 -16.616 -2.863 1.00 4.04 H new ATOM 0 HG2 LYS A 2 9.343 -17.007 -4.204 1.00 24.54 H new ATOM 0 HG3 LYS A 2 9.704 -18.721 -4.231 1.00 24.54 H new ATOM 0 HD2 LYS A 2 9.606 -18.808 -1.757 1.00 54.53 H new ATOM 0 HD3 LYS A 2 9.323 -17.080 -1.689 1.00 54.53 H new ATOM 0 HE2 LYS A 2 7.198 -17.387 -2.969 1.00 30.21 H new ATOM 0 HE3 LYS A 2 7.478 -19.117 -3.006 1.00 30.21 H new ATOM 0 HZ1 LYS A 2 5.985 -18.510 -1.218 1.00 33.34 H new ATOM 0 HZ2 LYS A 2 7.422 -19.151 -0.581 1.00 33.34 H new ATOM 0 HZ3 LYS A 2 7.150 -17.475 -0.545 1.00 33.34 H new ATOM 42 N ASN A 3 14.142 -16.212 -5.563 1.00 34.31 N ATOM 43 CA ASN A 3 15.501 -15.674 -5.412 1.00 22.15 C ATOM 44 C ASN A 3 15.632 -14.268 -6.022 1.00 72.24 C ATOM 45 O ASN A 3 15.850 -14.120 -7.228 1.00 42.01 O ATOM 46 CB ASN A 3 16.530 -16.614 -6.059 1.00 72.31 C ATOM 47 CG ASN A 3 16.611 -17.960 -5.363 1.00 75.23 C ATOM 48 OD1 ASN A 3 15.927 -18.910 -5.732 1.00 0.23 O ATOM 49 ND2 ASN A 3 17.447 -18.049 -4.346 1.00 34.23 N ATOM 0 H ASN A 3 13.771 -16.158 -6.512 1.00 34.31 H new ATOM 0 HA ASN A 3 15.699 -15.600 -4.343 1.00 22.15 H new ATOM 0 HB2 ASN A 3 16.269 -16.766 -7.106 1.00 72.31 H new ATOM 0 HB3 ASN A 3 17.511 -16.140 -6.040 1.00 72.31 H new ATOM 0 HD21 ASN A 3 17.541 -18.929 -3.838 1.00 34.23 H new ATOM 0 HD22 ASN A 3 18.000 -17.238 -4.068 1.00 34.23 H new ATOM 56 N THR A 4 15.479 -13.243 -5.188 1.00 35.11 N ATOM 57 CA THR A 4 15.707 -11.854 -5.612 1.00 3.43 C ATOM 58 C THR A 4 17.011 -11.304 -5.019 1.00 14.31 C ATOM 59 O THR A 4 17.327 -11.555 -3.850 1.00 13.01 O ATOM 60 CB THR A 4 14.538 -10.918 -5.217 1.00 34.12 C ATOM 61 OG1 THR A 4 14.856 -9.559 -5.567 1.00 12.34 O ATOM 62 CG2 THR A 4 14.227 -10.997 -3.727 1.00 5.12 C ATOM 0 H THR A 4 15.198 -13.343 -4.213 1.00 35.11 H new ATOM 0 HA THR A 4 15.777 -11.875 -6.700 1.00 3.43 H new ATOM 0 HB THR A 4 13.655 -11.248 -5.765 1.00 34.12 H new ATOM 0 HG1 THR A 4 15.030 -9.044 -4.752 1.00 12.34 H new ATOM 0 HG21 THR A 4 13.401 -10.326 -3.492 1.00 5.12 H new ATOM 0 HG22 THR A 4 13.950 -12.018 -3.467 1.00 5.12 H new ATOM 0 HG23 THR A 4 15.108 -10.704 -3.155 1.00 5.12 H new ATOM 70 N GLY A 5 17.758 -10.556 -5.825 1.00 43.25 N ATOM 71 CA GLY A 5 19.052 -10.030 -5.395 1.00 62.25 C ATOM 72 C GLY A 5 18.942 -8.850 -4.435 1.00 2.32 C ATOM 73 O GLY A 5 19.805 -8.657 -3.576 1.00 65.11 O ATOM 0 H GLY A 5 17.492 -10.300 -6.776 1.00 43.25 H new ATOM 0 HA2 GLY A 5 19.618 -10.828 -4.914 1.00 62.25 H new ATOM 0 HA3 GLY A 5 19.620 -9.722 -6.273 1.00 62.25 H new ATOM 77 N ASP A 6 17.887 -8.055 -4.587 1.00 54.11 N ATOM 78 CA ASP A 6 17.674 -6.874 -3.747 1.00 75.02 C ATOM 79 C ASP A 6 16.463 -7.045 -2.815 1.00 34.24 C ATOM 80 O ASP A 6 15.464 -7.678 -3.176 1.00 42.22 O ATOM 81 CB ASP A 6 17.485 -5.634 -4.632 1.00 4.34 C ATOM 82 CG ASP A 6 16.346 -5.798 -5.625 1.00 11.54 C ATOM 83 OD1 ASP A 6 16.572 -6.372 -6.713 1.00 1.40 O ATOM 84 OD2 ASP A 6 15.219 -5.350 -5.335 1.00 3.33 O ATOM 0 H ASP A 6 17.161 -8.206 -5.287 1.00 54.11 H new ATOM 0 HA ASP A 6 18.556 -6.748 -3.120 1.00 75.02 H new ATOM 0 HB2 ASP A 6 17.291 -4.767 -4.001 1.00 4.34 H new ATOM 0 HB3 ASP A 6 18.409 -5.433 -5.174 1.00 4.34 H new ATOM 89 N GLU A 7 16.565 -6.490 -1.607 1.00 65.25 N ATOM 90 CA GLU A 7 15.439 -6.468 -0.671 1.00 23.31 C ATOM 91 C GLU A 7 14.670 -5.145 -0.777 1.00 21.00 C ATOM 92 O GLU A 7 15.263 -4.067 -0.743 1.00 11.31 O ATOM 93 CB GLU A 7 15.910 -6.651 0.777 1.00 54.43 C ATOM 94 CG GLU A 7 16.644 -7.956 1.058 1.00 15.04 C ATOM 95 CD GLU A 7 16.951 -8.121 2.539 1.00 22.03 C ATOM 96 OE1 GLU A 7 17.858 -7.424 3.041 1.00 52.42 O ATOM 97 OE2 GLU A 7 16.269 -8.926 3.214 1.00 33.31 O ATOM 0 H GLU A 7 17.415 -6.050 -1.253 1.00 65.25 H new ATOM 0 HA GLU A 7 14.785 -7.297 -0.940 1.00 23.31 H new ATOM 0 HB2 GLU A 7 16.566 -5.820 1.037 1.00 54.43 H new ATOM 0 HB3 GLU A 7 15.043 -6.591 1.435 1.00 54.43 H new ATOM 0 HG2 GLU A 7 16.038 -8.795 0.716 1.00 15.04 H new ATOM 0 HG3 GLU A 7 17.573 -7.981 0.489 1.00 15.04 H new ATOM 104 N VAL A 8 13.350 -5.231 -0.894 1.00 12.14 N ATOM 105 CA VAL A 8 12.510 -4.033 -0.992 1.00 64.01 C ATOM 106 C VAL A 8 11.428 -3.995 0.103 1.00 15.42 C ATOM 107 O VAL A 8 10.862 -5.029 0.478 1.00 5.52 O ATOM 108 CB VAL A 8 11.835 -3.933 -2.383 1.00 2.21 C ATOM 109 CG1 VAL A 8 12.879 -3.720 -3.479 1.00 1.03 C ATOM 110 CG2 VAL A 8 10.992 -5.176 -2.671 1.00 62.54 C ATOM 0 H VAL A 8 12.836 -6.111 -0.924 1.00 12.14 H new ATOM 0 HA VAL A 8 13.173 -3.180 -0.851 1.00 64.01 H new ATOM 0 HB VAL A 8 11.171 -3.069 -2.374 1.00 2.21 H new ATOM 0 HG11 VAL A 8 12.382 -3.653 -4.447 1.00 1.03 H new ATOM 0 HG12 VAL A 8 13.425 -2.797 -3.287 1.00 1.03 H new ATOM 0 HG13 VAL A 8 13.575 -4.559 -3.486 1.00 1.03 H new ATOM 0 HG21 VAL A 8 10.529 -5.082 -3.653 1.00 62.54 H new ATOM 0 HG22 VAL A 8 11.630 -6.060 -2.654 1.00 62.54 H new ATOM 0 HG23 VAL A 8 10.216 -5.273 -1.912 1.00 62.54 H new ATOM 120 N VAL A 9 11.159 -2.798 0.626 1.00 72.25 N ATOM 121 CA VAL A 9 10.112 -2.601 1.637 1.00 61.25 C ATOM 122 C VAL A 9 9.035 -1.620 1.140 1.00 62.42 C ATOM 123 O VAL A 9 9.342 -0.624 0.480 1.00 23.01 O ATOM 124 CB VAL A 9 10.702 -2.085 2.979 1.00 22.23 C ATOM 125 CG1 VAL A 9 11.743 -3.062 3.528 1.00 51.11 C ATOM 126 CG2 VAL A 9 11.307 -0.690 2.815 1.00 33.02 C ATOM 0 H VAL A 9 11.653 -1.944 0.366 1.00 72.25 H new ATOM 0 HA VAL A 9 9.654 -3.575 1.809 1.00 61.25 H new ATOM 0 HB VAL A 9 9.885 -2.016 3.697 1.00 22.23 H new ATOM 0 HG11 VAL A 9 12.142 -2.679 4.468 1.00 51.11 H new ATOM 0 HG12 VAL A 9 11.276 -4.032 3.700 1.00 51.11 H new ATOM 0 HG13 VAL A 9 12.554 -3.172 2.808 1.00 51.11 H new ATOM 0 HG21 VAL A 9 11.712 -0.355 3.770 1.00 33.02 H new ATOM 0 HG22 VAL A 9 12.106 -0.725 2.074 1.00 33.02 H new ATOM 0 HG23 VAL A 9 10.535 0.005 2.484 1.00 33.02 H new ATOM 136 N ALA A 10 7.774 -1.919 1.444 1.00 24.41 N ATOM 137 CA ALA A 10 6.648 -1.069 1.037 1.00 43.13 C ATOM 138 C ALA A 10 6.252 -0.082 2.146 1.00 25.12 C ATOM 139 O ALA A 10 5.792 -0.484 3.216 1.00 35.21 O ATOM 140 CB ALA A 10 5.456 -1.933 0.647 1.00 30.31 C ATOM 0 H ALA A 10 7.501 -2.747 1.973 1.00 24.41 H new ATOM 0 HA ALA A 10 6.966 -0.484 0.174 1.00 43.13 H new ATOM 0 HB1 ALA A 10 4.626 -1.294 0.347 1.00 30.31 H new ATOM 0 HB2 ALA A 10 5.733 -2.582 -0.184 1.00 30.31 H new ATOM 0 HB3 ALA A 10 5.155 -2.543 1.499 1.00 30.31 H new ATOM 146 N ILE A 11 6.438 1.211 1.881 1.00 62.51 N ATOM 147 CA ILE A 11 6.100 2.264 2.844 1.00 12.44 C ATOM 148 C ILE A 11 4.731 2.887 2.521 1.00 34.11 C ATOM 149 O ILE A 11 4.578 3.573 1.509 1.00 53.43 O ATOM 150 CB ILE A 11 7.171 3.388 2.841 1.00 23.24 C ATOM 151 CG1 ILE A 11 8.591 2.794 2.930 1.00 52.01 C ATOM 152 CG2 ILE A 11 6.925 4.372 3.985 1.00 65.53 C ATOM 153 CD1 ILE A 11 8.847 1.970 4.177 1.00 41.34 C ATOM 0 H ILE A 11 6.823 1.558 1.002 1.00 62.51 H new ATOM 0 HA ILE A 11 6.066 1.798 3.829 1.00 12.44 H new ATOM 0 HB ILE A 11 7.089 3.931 1.899 1.00 23.24 H new ATOM 0 HG12 ILE A 11 8.766 2.169 2.054 1.00 52.01 H new ATOM 0 HG13 ILE A 11 9.315 3.608 2.892 1.00 52.01 H new ATOM 0 HG21 ILE A 11 7.687 5.151 3.965 1.00 65.53 H new ATOM 0 HG22 ILE A 11 5.940 4.824 3.870 1.00 65.53 H new ATOM 0 HG23 ILE A 11 6.973 3.843 4.937 1.00 65.53 H new ATOM 0 HD11 ILE A 11 9.869 1.590 4.159 1.00 41.34 H new ATOM 0 HD12 ILE A 11 8.707 2.593 5.060 1.00 41.34 H new ATOM 0 HD13 ILE A 11 8.150 1.133 4.210 1.00 41.34 H new ATOM 165 N ILE A 12 3.738 2.638 3.373 1.00 63.33 N ATOM 166 CA ILE A 12 2.386 3.180 3.170 1.00 12.14 C ATOM 167 C ILE A 12 2.125 4.405 4.069 1.00 11.21 C ATOM 168 O ILE A 12 2.263 4.337 5.295 1.00 14.25 O ATOM 169 CB ILE A 12 1.277 2.119 3.435 1.00 62.42 C ATOM 170 CG1 ILE A 12 1.401 0.912 2.483 1.00 41.23 C ATOM 171 CG2 ILE A 12 -0.109 2.747 3.297 1.00 73.44 C ATOM 172 CD1 ILE A 12 2.557 -0.015 2.789 1.00 21.44 C ATOM 0 H ILE A 12 3.839 2.066 4.211 1.00 63.33 H new ATOM 0 HA ILE A 12 2.341 3.480 2.123 1.00 12.14 H new ATOM 0 HB ILE A 12 1.410 1.759 4.455 1.00 62.42 H new ATOM 0 HG12 ILE A 12 0.474 0.340 2.520 1.00 41.23 H new ATOM 0 HG13 ILE A 12 1.508 1.280 1.463 1.00 41.23 H new ATOM 0 HG21 ILE A 12 -0.871 1.991 3.486 1.00 73.44 H new ATOM 0 HG22 ILE A 12 -0.215 3.557 4.019 1.00 73.44 H new ATOM 0 HG23 ILE A 12 -0.231 3.142 2.288 1.00 73.44 H new ATOM 0 HD11 ILE A 12 2.567 -0.834 2.070 1.00 21.44 H new ATOM 0 HD12 ILE A 12 3.494 0.538 2.722 1.00 21.44 H new ATOM 0 HD13 ILE A 12 2.444 -0.417 3.796 1.00 21.44 H new ATOM 184 N SER A 13 1.722 5.512 3.449 1.00 42.03 N ATOM 185 CA SER A 13 1.446 6.768 4.166 1.00 33.23 C ATOM 186 C SER A 13 0.014 7.272 3.907 1.00 33.14 C ATOM 187 O SER A 13 -0.558 7.034 2.844 1.00 74.34 O ATOM 188 CB SER A 13 2.444 7.856 3.736 1.00 11.22 C ATOM 189 OG SER A 13 3.781 7.480 4.021 1.00 11.10 O ATOM 0 H SER A 13 1.576 5.570 2.441 1.00 42.03 H new ATOM 0 HA SER A 13 1.552 6.561 5.231 1.00 33.23 H new ATOM 0 HB2 SER A 13 2.339 8.046 2.668 1.00 11.22 H new ATOM 0 HB3 SER A 13 2.210 8.788 4.250 1.00 11.22 H new ATOM 0 HG SER A 13 4.389 8.193 3.734 1.00 11.10 H new ATOM 195 N GLN A 14 -0.556 7.981 4.883 1.00 41.41 N ATOM 196 CA GLN A 14 -1.882 8.604 4.735 1.00 31.22 C ATOM 197 C GLN A 14 -1.827 10.092 5.130 1.00 32.03 C ATOM 198 O GLN A 14 -1.223 10.448 6.137 1.00 43.42 O ATOM 199 CB GLN A 14 -2.921 7.867 5.592 1.00 52.32 C ATOM 200 CG GLN A 14 -4.339 8.418 5.453 1.00 22.51 C ATOM 201 CD GLN A 14 -5.337 7.727 6.369 1.00 41.13 C ATOM 202 OE1 GLN A 14 -5.536 8.131 7.505 1.00 42.42 O ATOM 203 NE2 GLN A 14 -5.977 6.684 5.880 1.00 43.20 N ATOM 0 H GLN A 14 -0.121 8.141 5.791 1.00 41.41 H new ATOM 0 HA GLN A 14 -2.179 8.532 3.689 1.00 31.22 H new ATOM 0 HB2 GLN A 14 -2.923 6.812 5.317 1.00 52.32 H new ATOM 0 HB3 GLN A 14 -2.621 7.923 6.638 1.00 52.32 H new ATOM 0 HG2 GLN A 14 -4.331 9.486 5.673 1.00 22.51 H new ATOM 0 HG3 GLN A 14 -4.666 8.308 4.419 1.00 22.51 H new ATOM 0 HE21 GLN A 14 -5.789 6.371 4.928 1.00 43.20 H new ATOM 0 HE22 GLN A 14 -6.660 6.190 6.454 1.00 43.20 H new ATOM 212 N ASN A 15 -2.448 10.951 4.316 1.00 44.22 N ATOM 213 CA ASN A 15 -2.388 12.417 4.500 1.00 43.41 C ATOM 214 C ASN A 15 -0.940 12.948 4.439 1.00 1.11 C ATOM 215 O ASN A 15 -0.685 14.122 4.711 1.00 13.23 O ATOM 216 CB ASN A 15 -3.045 12.843 5.823 1.00 53.01 C ATOM 217 CG ASN A 15 -4.519 12.485 5.895 1.00 33.33 C ATOM 218 OD1 ASN A 15 -4.832 11.374 6.526 1.00 51.40 O flip ATOM 219 ND2 ASN A 15 -5.376 13.213 5.405 1.00 5.43 N flip ATOM 0 H ASN A 15 -3.005 10.659 3.513 1.00 44.22 H new ATOM 0 HA ASN A 15 -2.946 12.856 3.673 1.00 43.41 H new ATOM 0 HB2 ASN A 15 -2.520 12.368 6.652 1.00 53.01 H new ATOM 0 HB3 ASN A 15 -2.932 13.920 5.949 1.00 53.01 H new ATOM 0 HD21 ASN A 15 -5.103 14.069 4.921 1.00 5.43 H new ATOM 0 HD22 ASN A 15 -6.362 12.963 5.481 1.00 5.43 H new ATOM 226 N GLY A 16 0.006 12.083 4.061 1.00 5.11 N ATOM 227 CA GLY A 16 1.413 12.468 4.002 1.00 23.23 C ATOM 228 C GLY A 16 2.276 11.771 5.055 1.00 33.44 C ATOM 229 O GLY A 16 3.465 11.542 4.836 1.00 31.00 O ATOM 0 H GLY A 16 -0.179 11.116 3.793 1.00 5.11 H new ATOM 0 HA2 GLY A 16 1.804 12.237 3.011 1.00 23.23 H new ATOM 0 HA3 GLY A 16 1.493 13.547 4.133 1.00 23.23 H new ATOM 233 N LYS A 17 1.679 11.428 6.196 1.00 33.43 N ATOM 234 CA LYS A 17 2.414 10.770 7.286 1.00 60.22 C ATOM 235 C LYS A 17 2.420 9.243 7.119 1.00 14.30 C ATOM 236 O LYS A 17 1.412 8.642 6.740 1.00 54.11 O ATOM 237 CB LYS A 17 1.806 11.148 8.648 1.00 65.31 C ATOM 238 CG LYS A 17 0.329 10.793 8.790 1.00 54.31 C ATOM 239 CD LYS A 17 -0.201 11.106 10.189 1.00 0.24 C ATOM 240 CE LYS A 17 -1.693 10.812 10.309 1.00 45.12 C ATOM 241 NZ LYS A 17 -2.185 10.994 11.700 1.00 23.04 N ATOM 0 H LYS A 17 0.692 11.592 6.393 1.00 33.43 H new ATOM 0 HA LYS A 17 3.446 11.118 7.245 1.00 60.22 H new ATOM 0 HB2 LYS A 17 2.367 10.646 9.436 1.00 65.31 H new ATOM 0 HB3 LYS A 17 1.928 12.220 8.803 1.00 65.31 H new ATOM 0 HG2 LYS A 17 -0.250 11.346 8.050 1.00 54.31 H new ATOM 0 HG3 LYS A 17 0.188 9.733 8.577 1.00 54.31 H new ATOM 0 HD2 LYS A 17 0.346 10.517 10.925 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -0.018 12.155 10.421 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -2.247 11.469 9.639 1.00 45.12 H new ATOM 0 HE3 LYS A 17 -1.888 9.789 9.986 1.00 45.12 H new ATOM 0 HZ1 LYS A 17 -3.203 10.784 11.738 1.00 23.04 H new ATOM 0 HZ2 LYS A 17 -1.674 10.349 12.336 1.00 23.04 H new ATOM 0 HZ3 LYS A 17 -2.022 11.976 12.000 1.00 23.04 H new ATOM 255 N VAL A 18 3.562 8.622 7.408 1.00 64.31 N ATOM 256 CA VAL A 18 3.706 7.165 7.298 1.00 11.12 C ATOM 257 C VAL A 18 2.921 6.446 8.406 1.00 44.23 C ATOM 258 O VAL A 18 3.040 6.789 9.586 1.00 41.31 O ATOM 259 CB VAL A 18 5.194 6.735 7.362 1.00 44.53 C ATOM 260 CG1 VAL A 18 5.330 5.222 7.183 1.00 2.20 C ATOM 261 CG2 VAL A 18 6.015 7.483 6.312 1.00 64.22 C ATOM 0 H VAL A 18 4.405 9.103 7.721 1.00 64.31 H new ATOM 0 HA VAL A 18 3.299 6.879 6.328 1.00 11.12 H new ATOM 0 HB VAL A 18 5.583 6.994 8.347 1.00 44.53 H new ATOM 0 HG11 VAL A 18 6.383 4.943 7.231 1.00 2.20 H new ATOM 0 HG12 VAL A 18 4.782 4.711 7.975 1.00 2.20 H new ATOM 0 HG13 VAL A 18 4.922 4.932 6.215 1.00 2.20 H new ATOM 0 HG21 VAL A 18 7.057 7.168 6.372 1.00 64.22 H new ATOM 0 HG22 VAL A 18 5.625 7.260 5.319 1.00 64.22 H new ATOM 0 HG23 VAL A 18 5.949 8.556 6.495 1.00 64.22 H new ATOM 271 N ILE A 19 2.120 5.450 8.026 1.00 63.01 N ATOM 272 CA ILE A 19 1.263 4.736 8.986 1.00 44.32 C ATOM 273 C ILE A 19 1.553 3.223 9.039 1.00 51.22 C ATOM 274 O ILE A 19 1.363 2.584 10.081 1.00 34.40 O ATOM 275 CB ILE A 19 -0.238 4.953 8.658 1.00 0.44 C ATOM 276 CG1 ILE A 19 -0.554 4.471 7.230 1.00 31.35 C ATOM 277 CG2 ILE A 19 -0.619 6.424 8.831 1.00 62.45 C ATOM 278 CD1 ILE A 19 -2.015 4.591 6.851 1.00 2.31 C ATOM 0 H ILE A 19 2.043 5.117 7.065 1.00 63.01 H new ATOM 0 HA ILE A 19 1.495 5.157 9.964 1.00 44.32 H new ATOM 0 HB ILE A 19 -0.832 4.363 9.356 1.00 0.44 H new ATOM 0 HG12 ILE A 19 0.043 5.046 6.522 1.00 31.35 H new ATOM 0 HG13 ILE A 19 -0.248 3.429 7.133 1.00 31.35 H new ATOM 0 HG21 ILE A 19 -1.675 6.556 8.596 1.00 62.45 H new ATOM 0 HG22 ILE A 19 -0.435 6.729 9.861 1.00 62.45 H new ATOM 0 HG23 ILE A 19 -0.019 7.037 8.159 1.00 62.45 H new ATOM 0 HD11 ILE A 19 -2.157 4.232 5.832 1.00 2.31 H new ATOM 0 HD12 ILE A 19 -2.618 3.993 7.534 1.00 2.31 H new ATOM 0 HD13 ILE A 19 -2.323 5.635 6.914 1.00 2.31 H new ATOM 290 N ARG A 20 2.012 2.648 7.927 1.00 31.34 N ATOM 291 CA ARG A 20 2.240 1.197 7.853 1.00 54.34 C ATOM 292 C ARG A 20 3.361 0.848 6.856 1.00 44.24 C ATOM 293 O ARG A 20 3.298 1.199 5.684 1.00 42.12 O ATOM 294 CB ARG A 20 0.925 0.503 7.457 1.00 24.22 C ATOM 295 CG ARG A 20 1.008 -1.016 7.274 1.00 21.35 C ATOM 296 CD ARG A 20 1.378 -1.759 8.560 1.00 30.43 C ATOM 297 NE ARG A 20 2.824 -1.836 8.768 1.00 63.25 N ATOM 298 CZ ARG A 20 3.383 -2.111 9.919 1.00 53.21 C ATOM 299 NH1 ARG A 20 2.655 -2.321 10.968 1.00 54.15 N ATOM 300 NH2 ARG A 20 4.669 -2.190 10.013 1.00 74.24 N ATOM 0 H ARG A 20 2.233 3.156 7.070 1.00 31.34 H new ATOM 0 HA ARG A 20 2.563 0.843 8.832 1.00 54.34 H new ATOM 0 HB2 ARG A 20 0.177 0.719 8.220 1.00 24.22 H new ATOM 0 HB3 ARG A 20 0.568 0.944 6.526 1.00 24.22 H new ATOM 0 HG2 ARG A 20 0.048 -1.385 6.912 1.00 21.35 H new ATOM 0 HG3 ARG A 20 1.747 -1.243 6.505 1.00 21.35 H new ATOM 0 HD2 ARG A 20 0.918 -1.256 9.411 1.00 30.43 H new ATOM 0 HD3 ARG A 20 0.965 -2.767 8.524 1.00 30.43 H new ATOM 0 HE ARG A 20 3.433 -1.665 7.968 1.00 63.25 H new ATOM 0 HH11 ARG A 20 1.638 -2.273 10.901 1.00 54.15 H new ATOM 0 HH12 ARG A 20 3.098 -2.535 11.862 1.00 54.15 H new ATOM 0 HH21 ARG A 20 5.251 -2.038 9.189 1.00 74.24 H new ATOM 0 HH22 ARG A 20 5.102 -2.404 10.911 1.00 74.24 H new ATOM 314 N GLU A 21 4.384 0.148 7.342 1.00 53.24 N ATOM 315 CA GLU A 21 5.524 -0.278 6.512 1.00 54.13 C ATOM 316 C GLU A 21 5.689 -1.808 6.545 1.00 20.04 C ATOM 317 O GLU A 21 5.775 -2.397 7.619 1.00 31.43 O ATOM 318 CB GLU A 21 6.804 0.390 7.034 1.00 21.10 C ATOM 319 CG GLU A 21 6.725 1.916 7.084 1.00 63.25 C ATOM 320 CD GLU A 21 7.739 2.529 8.038 1.00 73.12 C ATOM 321 OE1 GLU A 21 7.414 2.672 9.241 1.00 24.22 O ATOM 322 OE2 GLU A 21 8.861 2.867 7.600 1.00 52.42 O ATOM 0 H GLU A 21 4.452 -0.142 8.317 1.00 53.24 H new ATOM 0 HA GLU A 21 5.338 0.023 5.481 1.00 54.13 H new ATOM 0 HB2 GLU A 21 7.018 0.013 8.034 1.00 21.10 H new ATOM 0 HB3 GLU A 21 7.640 0.099 6.398 1.00 21.10 H new ATOM 0 HG2 GLU A 21 6.887 2.316 6.083 1.00 63.25 H new ATOM 0 HG3 GLU A 21 5.721 2.213 7.388 1.00 63.25 H new ATOM 329 N ILE A 22 5.722 -2.452 5.376 1.00 34.44 N ATOM 330 CA ILE A 22 5.882 -3.915 5.307 1.00 25.33 C ATOM 331 C ILE A 22 7.137 -4.315 4.514 1.00 24.20 C ATOM 332 O ILE A 22 7.294 -3.929 3.354 1.00 12.11 O ATOM 333 CB ILE A 22 4.661 -4.628 4.652 1.00 5.33 C ATOM 334 CG1 ILE A 22 3.352 -4.313 5.400 1.00 73.34 C ATOM 335 CG2 ILE A 22 4.889 -6.143 4.597 1.00 61.33 C ATOM 336 CD1 ILE A 22 2.741 -2.977 5.035 1.00 10.03 C ATOM 0 H ILE A 22 5.641 -1.993 4.469 1.00 34.44 H new ATOM 0 HA ILE A 22 5.971 -4.236 6.345 1.00 25.33 H new ATOM 0 HB ILE A 22 4.565 -4.247 3.635 1.00 5.33 H new ATOM 0 HG12 ILE A 22 2.628 -5.101 5.192 1.00 73.34 H new ATOM 0 HG13 ILE A 22 3.545 -4.332 6.473 1.00 73.34 H new ATOM 0 HG21 ILE A 22 4.026 -6.624 4.137 1.00 61.33 H new ATOM 0 HG22 ILE A 22 5.781 -6.356 4.007 1.00 61.33 H new ATOM 0 HG23 ILE A 22 5.022 -6.528 5.608 1.00 61.33 H new ATOM 0 HD11 ILE A 22 1.823 -2.829 5.604 1.00 10.03 H new ATOM 0 HD12 ILE A 22 3.445 -2.179 5.269 1.00 10.03 H new ATOM 0 HD13 ILE A 22 2.514 -2.960 3.969 1.00 10.03 H new ATOM 348 N PRO A 23 8.051 -5.097 5.123 1.00 72.21 N ATOM 349 CA PRO A 23 9.168 -5.714 4.392 1.00 30.33 C ATOM 350 C PRO A 23 8.671 -6.763 3.380 1.00 44.50 C ATOM 351 O PRO A 23 8.146 -7.811 3.766 1.00 35.01 O ATOM 352 CB PRO A 23 10.010 -6.382 5.497 1.00 22.14 C ATOM 353 CG PRO A 23 9.539 -5.766 6.776 1.00 52.13 C ATOM 354 CD PRO A 23 8.091 -5.419 6.559 1.00 43.23 C ATOM 0 HA PRO A 23 9.730 -4.985 3.808 1.00 30.33 H new ATOM 0 HB2 PRO A 23 9.865 -7.462 5.504 1.00 22.14 H new ATOM 0 HB3 PRO A 23 11.074 -6.204 5.343 1.00 22.14 H new ATOM 0 HG2 PRO A 23 9.654 -6.460 7.609 1.00 52.13 H new ATOM 0 HG3 PRO A 23 10.121 -4.877 7.019 1.00 52.13 H new ATOM 0 HD2 PRO A 23 7.433 -6.252 6.806 1.00 43.23 H new ATOM 0 HD3 PRO A 23 7.780 -4.574 7.173 1.00 43.23 H new ATOM 362 N LEU A 24 8.820 -6.472 2.089 1.00 34.33 N ATOM 363 CA LEU A 24 8.330 -7.368 1.036 1.00 74.15 C ATOM 364 C LEU A 24 9.244 -8.590 0.876 1.00 41.44 C ATOM 365 O LEU A 24 8.804 -9.732 1.016 1.00 71.02 O ATOM 366 CB LEU A 24 8.221 -6.614 -0.297 1.00 1.03 C ATOM 367 CG LEU A 24 7.324 -5.363 -0.270 1.00 62.33 C ATOM 368 CD1 LEU A 24 7.281 -4.700 -1.645 1.00 53.05 C ATOM 369 CD2 LEU A 24 5.915 -5.715 0.209 1.00 41.21 C ATOM 0 H LEU A 24 9.274 -5.626 1.745 1.00 34.33 H new ATOM 0 HA LEU A 24 7.341 -7.720 1.329 1.00 74.15 H new ATOM 0 HB2 LEU A 24 9.222 -6.317 -0.611 1.00 1.03 H new ATOM 0 HB3 LEU A 24 7.839 -7.299 -1.054 1.00 1.03 H new ATOM 0 HG LEU A 24 7.753 -4.652 0.436 1.00 62.33 H new ATOM 0 HD11 LEU A 24 6.642 -3.818 -1.604 1.00 53.05 H new ATOM 0 HD12 LEU A 24 8.288 -4.405 -1.938 1.00 53.05 H new ATOM 0 HD13 LEU A 24 6.882 -5.403 -2.376 1.00 53.05 H new ATOM 0 HD21 LEU A 24 5.299 -4.816 0.220 1.00 41.21 H new ATOM 0 HD22 LEU A 24 5.474 -6.449 -0.466 1.00 41.21 H new ATOM 0 HD23 LEU A 24 5.966 -6.132 1.215 1.00 41.21 H new ATOM 381 N THR A 25 10.518 -8.346 0.579 1.00 22.44 N ATOM 382 CA THR A 25 11.499 -9.429 0.426 1.00 35.35 C ATOM 383 C THR A 25 11.636 -10.240 1.723 1.00 50.22 C ATOM 384 O THR A 25 12.023 -9.706 2.764 1.00 2.24 O ATOM 385 CB THR A 25 12.887 -8.878 0.029 1.00 71.51 C ATOM 386 OG1 THR A 25 12.772 -8.051 -1.141 1.00 22.22 O ATOM 387 CG2 THR A 25 13.878 -10.011 -0.233 1.00 23.32 C ATOM 0 H THR A 25 10.900 -7.411 0.439 1.00 22.44 H new ATOM 0 HA THR A 25 11.132 -10.079 -0.368 1.00 35.35 H new ATOM 0 HB THR A 25 13.263 -8.282 0.860 1.00 71.51 H new ATOM 0 HG1 THR A 25 13.285 -8.449 -1.875 1.00 22.22 H new ATOM 0 HG21 THR A 25 14.845 -9.592 -0.510 1.00 23.32 H new ATOM 0 HG22 THR A 25 13.989 -10.613 0.669 1.00 23.32 H new ATOM 0 HG23 THR A 25 13.508 -10.637 -1.045 1.00 23.32 H new ATOM 395 N GLY A 26 11.322 -11.531 1.650 1.00 42.41 N ATOM 396 CA GLY A 26 11.342 -12.383 2.837 1.00 1.15 C ATOM 397 C GLY A 26 9.960 -12.589 3.460 1.00 43.53 C ATOM 398 O GLY A 26 9.798 -13.401 4.373 1.00 14.11 O ATOM 0 H GLY A 26 11.053 -12.007 0.789 1.00 42.41 H new ATOM 0 HA2 GLY A 26 11.761 -13.354 2.572 1.00 1.15 H new ATOM 0 HA3 GLY A 26 12.006 -11.942 3.581 1.00 1.15 H new ATOM 402 N HIS A 27 8.958 -11.855 2.973 1.00 45.31 N ATOM 403 CA HIS A 27 7.584 -11.995 3.470 1.00 52.32 C ATOM 404 C HIS A 27 6.889 -13.219 2.855 1.00 2.22 C ATOM 405 O HIS A 27 6.346 -13.149 1.751 1.00 43.05 O ATOM 406 CB HIS A 27 6.770 -10.730 3.168 1.00 34.30 C ATOM 407 CG HIS A 27 5.356 -10.798 3.663 1.00 4.04 C ATOM 408 ND1 HIS A 27 4.326 -11.352 2.932 1.00 52.13 N ATOM 409 CD2 HIS A 27 4.801 -10.389 4.831 1.00 53.53 C ATOM 410 CE1 HIS A 27 3.207 -11.280 3.623 1.00 4.24 C ATOM 411 NE2 HIS A 27 3.467 -10.704 4.777 1.00 71.42 N ATOM 0 H HIS A 27 9.070 -11.158 2.236 1.00 45.31 H new ATOM 0 HA HIS A 27 7.638 -12.137 4.549 1.00 52.32 H new ATOM 0 HB2 HIS A 27 7.265 -9.872 3.622 1.00 34.30 H new ATOM 0 HB3 HIS A 27 6.762 -10.561 2.091 1.00 34.30 H new ATOM 0 HD2 HIS A 27 5.313 -9.906 5.650 1.00 53.53 H new ATOM 0 HE1 HIS A 27 2.240 -11.634 3.297 1.00 4.24 H new ATOM 0 HE2 HIS A 27 2.786 -10.521 5.514 1.00 71.42 H new ATOM 420 N LYS A 28 6.919 -14.334 3.579 1.00 1.53 N ATOM 421 CA LYS A 28 6.259 -15.571 3.143 1.00 4.54 C ATOM 422 C LYS A 28 4.724 -15.447 3.178 1.00 62.34 C ATOM 423 O LYS A 28 4.161 -14.763 4.035 1.00 12.51 O ATOM 424 CB LYS A 28 6.699 -16.738 4.041 1.00 52.31 C ATOM 425 CG LYS A 28 6.427 -16.501 5.525 1.00 32.23 C ATOM 426 CD LYS A 28 6.854 -17.679 6.407 1.00 11.03 C ATOM 427 CE LYS A 28 6.030 -18.939 6.157 1.00 30.00 C ATOM 428 NZ LYS A 28 6.502 -19.709 4.974 1.00 1.45 N ATOM 0 H LYS A 28 7.396 -14.411 4.477 1.00 1.53 H new ATOM 0 HA LYS A 28 6.557 -15.758 2.111 1.00 4.54 H new ATOM 0 HB2 LYS A 28 6.182 -17.644 3.725 1.00 52.31 H new ATOM 0 HB3 LYS A 28 7.765 -16.914 3.899 1.00 52.31 H new ATOM 0 HG2 LYS A 28 6.955 -15.603 5.847 1.00 32.23 H new ATOM 0 HG3 LYS A 28 5.363 -16.314 5.668 1.00 32.23 H new ATOM 0 HD2 LYS A 28 7.907 -17.898 6.227 1.00 11.03 H new ATOM 0 HD3 LYS A 28 6.762 -17.393 7.455 1.00 11.03 H new ATOM 0 HE2 LYS A 28 6.071 -19.576 7.040 1.00 30.00 H new ATOM 0 HE3 LYS A 28 4.986 -18.662 6.012 1.00 30.00 H new ATOM 0 HZ1 LYS A 28 5.801 -19.636 4.210 1.00 1.45 H new ATOM 0 HZ2 LYS A 28 7.411 -19.322 4.648 1.00 1.45 H new ATOM 0 HZ3 LYS A 28 6.625 -20.708 5.236 1.00 1.45 H new ATOM 442 N GLY A 29 4.060 -16.122 2.241 1.00 64.34 N ATOM 443 CA GLY A 29 2.597 -16.157 2.217 1.00 72.44 C ATOM 444 C GLY A 29 1.943 -14.821 1.848 1.00 53.51 C ATOM 445 O GLY A 29 2.570 -13.955 1.234 1.00 35.22 O ATOM 0 H GLY A 29 4.508 -16.650 1.492 1.00 64.34 H new ATOM 0 HA2 GLY A 29 2.274 -16.916 1.504 1.00 72.44 H new ATOM 0 HA3 GLY A 29 2.236 -16.467 3.198 1.00 72.44 H new ATOM 449 N ASN A 30 0.674 -14.662 2.230 1.00 1.31 N ATOM 450 CA ASN A 30 -0.104 -13.461 1.898 1.00 45.34 C ATOM 451 C ASN A 30 -0.548 -12.715 3.174 1.00 54.31 C ATOM 452 O ASN A 30 -0.726 -13.323 4.232 1.00 42.51 O ATOM 453 CB ASN A 30 -1.328 -13.852 1.059 1.00 35.42 C ATOM 454 CG ASN A 30 -2.025 -12.659 0.436 1.00 72.04 C ATOM 455 OD1 ASN A 30 -2.922 -12.064 1.026 1.00 33.24 O ATOM 456 ND2 ASN A 30 -1.618 -12.301 -0.765 1.00 24.00 N ATOM 0 H ASN A 30 0.158 -15.354 2.774 1.00 1.31 H new ATOM 0 HA ASN A 30 0.530 -12.789 1.320 1.00 45.34 H new ATOM 0 HB2 ASN A 30 -1.017 -14.537 0.270 1.00 35.42 H new ATOM 0 HB3 ASN A 30 -2.036 -14.391 1.689 1.00 35.42 H new ATOM 0 HD21 ASN A 30 -2.051 -11.506 -1.234 1.00 24.00 H new ATOM 0 HD22 ASN A 30 -0.870 -12.819 -1.225 1.00 24.00 H new ATOM 463 N GLU A 31 -0.715 -11.400 3.065 1.00 62.45 N ATOM 464 CA GLU A 31 -1.070 -10.551 4.211 1.00 42.10 C ATOM 465 C GLU A 31 -1.965 -9.384 3.759 1.00 31.12 C ATOM 466 O GLU A 31 -1.695 -8.754 2.745 1.00 24.43 O ATOM 467 CB GLU A 31 0.222 -10.026 4.856 1.00 43.13 C ATOM 468 CG GLU A 31 0.032 -9.269 6.163 1.00 74.42 C ATOM 469 CD GLU A 31 1.363 -8.877 6.797 1.00 22.13 C ATOM 470 OE1 GLU A 31 2.118 -9.786 7.214 1.00 33.12 O ATOM 471 OE2 GLU A 31 1.677 -7.670 6.860 1.00 71.15 O ATOM 0 H GLU A 31 -0.610 -10.890 2.188 1.00 62.45 H new ATOM 0 HA GLU A 31 -1.630 -11.135 4.942 1.00 42.10 H new ATOM 0 HB2 GLU A 31 0.888 -10.870 5.037 1.00 43.13 H new ATOM 0 HB3 GLU A 31 0.724 -9.370 4.145 1.00 43.13 H new ATOM 0 HG2 GLU A 31 -0.560 -8.372 5.979 1.00 74.42 H new ATOM 0 HG3 GLU A 31 -0.533 -9.887 6.861 1.00 74.42 H new ATOM 478 N GLN A 32 -3.036 -9.102 4.498 1.00 23.25 N ATOM 479 CA GLN A 32 -3.999 -8.060 4.091 1.00 53.30 C ATOM 480 C GLN A 32 -4.339 -7.098 5.241 1.00 3.32 C ATOM 481 O GLN A 32 -4.459 -7.513 6.398 1.00 53.54 O ATOM 482 CB GLN A 32 -5.290 -8.713 3.572 1.00 30.01 C ATOM 483 CG GLN A 32 -5.086 -9.619 2.362 1.00 11.41 C ATOM 484 CD GLN A 32 -6.333 -10.408 1.994 1.00 54.33 C ATOM 485 OE1 GLN A 32 -7.155 -10.731 2.845 1.00 11.31 O ATOM 486 NE2 GLN A 32 -6.473 -10.744 0.728 1.00 32.23 N ATOM 0 H GLN A 32 -3.265 -9.571 5.375 1.00 23.25 H new ATOM 0 HA GLN A 32 -3.528 -7.477 3.300 1.00 53.30 H new ATOM 0 HB2 GLN A 32 -5.739 -9.295 4.377 1.00 30.01 H new ATOM 0 HB3 GLN A 32 -6.001 -7.929 3.310 1.00 30.01 H new ATOM 0 HG2 GLN A 32 -4.781 -9.013 1.509 1.00 11.41 H new ATOM 0 HG3 GLN A 32 -4.271 -10.313 2.568 1.00 11.41 H new ATOM 0 HE21 GLN A 32 -5.771 -10.460 0.044 1.00 32.23 H new ATOM 0 HE22 GLN A 32 -7.283 -11.288 0.431 1.00 32.23 H new ATOM 495 N PHE A 33 -4.503 -5.817 4.913 1.00 73.02 N ATOM 496 CA PHE A 33 -4.917 -4.806 5.895 1.00 13.40 C ATOM 497 C PHE A 33 -5.704 -3.661 5.227 1.00 64.35 C ATOM 498 O PHE A 33 -5.325 -3.166 4.163 1.00 34.25 O ATOM 499 CB PHE A 33 -3.700 -4.259 6.664 1.00 1.04 C ATOM 500 CG PHE A 33 -2.614 -3.662 5.797 1.00 64.01 C ATOM 501 CD1 PHE A 33 -1.647 -4.470 5.213 1.00 31.13 C ATOM 502 CD2 PHE A 33 -2.551 -2.291 5.582 1.00 10.55 C ATOM 503 CE1 PHE A 33 -0.645 -3.926 4.433 1.00 20.00 C ATOM 504 CE2 PHE A 33 -1.551 -1.744 4.798 1.00 1.41 C ATOM 505 CZ PHE A 33 -0.597 -2.562 4.225 1.00 33.23 C ATOM 0 H PHE A 33 -4.356 -5.450 3.973 1.00 73.02 H new ATOM 0 HA PHE A 33 -5.582 -5.291 6.609 1.00 13.40 H new ATOM 0 HB2 PHE A 33 -4.044 -3.499 7.365 1.00 1.04 H new ATOM 0 HB3 PHE A 33 -3.269 -5.067 7.255 1.00 1.04 H new ATOM 0 HD1 PHE A 33 -1.679 -5.538 5.371 1.00 31.13 H new ATOM 0 HD2 PHE A 33 -3.291 -1.645 6.032 1.00 10.55 H new ATOM 0 HE1 PHE A 33 0.100 -4.567 3.986 1.00 20.00 H new ATOM 0 HE2 PHE A 33 -1.516 -0.677 4.634 1.00 1.41 H new ATOM 0 HZ PHE A 33 0.185 -2.135 3.615 1.00 33.23 H new ATOM 515 N THR A 34 -6.807 -3.253 5.857 1.00 51.34 N ATOM 516 CA THR A 34 -7.665 -2.183 5.325 1.00 50.52 C ATOM 517 C THR A 34 -7.361 -0.842 6.003 1.00 22.31 C ATOM 518 O THR A 34 -7.364 -0.747 7.232 1.00 64.13 O ATOM 519 CB THR A 34 -9.171 -2.498 5.526 1.00 70.13 C ATOM 520 OG1 THR A 34 -9.483 -3.816 5.044 1.00 2.25 O ATOM 521 CG2 THR A 34 -10.050 -1.479 4.803 1.00 53.33 C ATOM 0 H THR A 34 -7.131 -3.647 6.740 1.00 51.34 H new ATOM 0 HA THR A 34 -7.449 -2.119 4.259 1.00 50.52 H new ATOM 0 HB THR A 34 -9.374 -2.445 6.596 1.00 70.13 H new ATOM 0 HG1 THR A 34 -10.436 -3.997 5.181 1.00 2.25 H new ATOM 0 HG21 THR A 34 -11.100 -1.726 4.962 1.00 53.33 H new ATOM 0 HG22 THR A 34 -9.848 -0.482 5.194 1.00 53.33 H new ATOM 0 HG23 THR A 34 -9.830 -1.501 3.736 1.00 53.33 H new ATOM 529 N ILE A 35 -7.108 0.192 5.208 1.00 12.15 N ATOM 530 CA ILE A 35 -6.836 1.536 5.736 1.00 13.14 C ATOM 531 C ILE A 35 -7.987 2.506 5.420 1.00 52.31 C ATOM 532 O ILE A 35 -8.319 2.731 4.257 1.00 52.44 O ATOM 533 CB ILE A 35 -5.518 2.103 5.152 1.00 24.34 C ATOM 534 CG1 ILE A 35 -4.348 1.160 5.473 1.00 61.50 C ATOM 535 CG2 ILE A 35 -5.248 3.510 5.690 1.00 73.31 C ATOM 536 CD1 ILE A 35 -3.029 1.590 4.872 1.00 32.52 C ATOM 0 H ILE A 35 -7.084 0.131 4.190 1.00 12.15 H new ATOM 0 HA ILE A 35 -6.741 1.442 6.818 1.00 13.14 H new ATOM 0 HB ILE A 35 -5.619 2.173 4.069 1.00 24.34 H new ATOM 0 HG12 ILE A 35 -4.237 1.091 6.555 1.00 61.50 H new ATOM 0 HG13 ILE A 35 -4.591 0.160 5.113 1.00 61.50 H new ATOM 0 HG21 ILE A 35 -4.318 3.889 5.267 1.00 73.31 H new ATOM 0 HG22 ILE A 35 -6.069 4.170 5.411 1.00 73.31 H new ATOM 0 HG23 ILE A 35 -5.165 3.474 6.776 1.00 73.31 H new ATOM 0 HD11 ILE A 35 -2.254 0.873 5.144 1.00 32.52 H new ATOM 0 HD12 ILE A 35 -3.120 1.631 3.787 1.00 32.52 H new ATOM 0 HD13 ILE A 35 -2.760 2.576 5.251 1.00 32.52 H new ATOM 548 N LYS A 36 -8.593 3.075 6.460 1.00 64.30 N ATOM 549 CA LYS A 36 -9.700 4.025 6.284 1.00 35.41 C ATOM 550 C LYS A 36 -9.206 5.483 6.354 1.00 71.11 C ATOM 551 O LYS A 36 -8.501 5.873 7.288 1.00 64.41 O ATOM 552 CB LYS A 36 -10.779 3.776 7.349 1.00 74.52 C ATOM 553 CG LYS A 36 -11.289 2.337 7.376 1.00 3.44 C ATOM 554 CD LYS A 36 -12.349 2.123 8.454 1.00 1.43 C ATOM 555 CE LYS A 36 -12.691 0.646 8.626 1.00 64.25 C ATOM 556 NZ LYS A 36 -11.523 -0.138 9.104 1.00 54.23 N ATOM 0 H LYS A 36 -8.340 2.898 7.432 1.00 64.30 H new ATOM 0 HA LYS A 36 -10.128 3.866 5.294 1.00 35.41 H new ATOM 0 HB2 LYS A 36 -10.375 4.028 8.330 1.00 74.52 H new ATOM 0 HB3 LYS A 36 -11.619 4.447 7.168 1.00 74.52 H new ATOM 0 HG2 LYS A 36 -11.707 2.083 6.402 1.00 3.44 H new ATOM 0 HG3 LYS A 36 -10.453 1.660 7.551 1.00 3.44 H new ATOM 0 HD2 LYS A 36 -11.991 2.526 9.401 1.00 1.43 H new ATOM 0 HD3 LYS A 36 -13.251 2.677 8.193 1.00 1.43 H new ATOM 0 HE2 LYS A 36 -13.513 0.543 9.335 1.00 64.25 H new ATOM 0 HE3 LYS A 36 -13.037 0.240 7.676 1.00 64.25 H new ATOM 0 HZ1 LYS A 36 -11.848 -1.051 9.480 1.00 54.23 H new ATOM 0 HZ2 LYS A 36 -10.868 -0.303 8.313 1.00 54.23 H new ATOM 0 HZ3 LYS A 36 -11.033 0.391 9.854 1.00 54.23 H new ATOM 570 N GLY A 37 -9.572 6.277 5.352 1.00 65.34 N ATOM 571 CA GLY A 37 -9.186 7.683 5.311 1.00 43.40 C ATOM 572 C GLY A 37 -10.305 8.617 5.766 1.00 2.32 C ATOM 573 O GLY A 37 -10.707 8.588 6.931 1.00 45.02 O ATOM 0 H GLY A 37 -10.135 5.971 4.558 1.00 65.34 H new ATOM 0 HA2 GLY A 37 -8.312 7.834 5.945 1.00 43.40 H new ATOM 0 HA3 GLY A 37 -8.891 7.945 4.295 1.00 43.40 H new ATOM 577 N LYS A 38 -10.812 9.444 4.849 1.00 71.00 N ATOM 578 CA LYS A 38 -11.889 10.389 5.173 1.00 22.22 C ATOM 579 C LYS A 38 -13.263 9.851 4.733 1.00 23.41 C ATOM 580 O LYS A 38 -13.385 9.210 3.685 1.00 54.35 O ATOM 581 CB LYS A 38 -11.598 11.772 4.541 1.00 32.22 C ATOM 582 CG LYS A 38 -11.606 11.819 3.003 1.00 54.41 C ATOM 583 CD LYS A 38 -13.009 12.067 2.436 1.00 10.24 C ATOM 584 CE LYS A 38 -13.021 12.137 0.910 1.00 72.34 C ATOM 585 NZ LYS A 38 -12.305 13.330 0.381 1.00 11.14 N ATOM 0 H LYS A 38 -10.497 9.481 3.879 1.00 71.00 H new ATOM 0 HA LYS A 38 -11.923 10.507 6.256 1.00 22.22 H new ATOM 0 HB2 LYS A 38 -12.337 12.483 4.912 1.00 32.22 H new ATOM 0 HB3 LYS A 38 -10.624 12.113 4.891 1.00 32.22 H new ATOM 0 HG2 LYS A 38 -10.934 12.607 2.662 1.00 54.41 H new ATOM 0 HG3 LYS A 38 -11.219 10.878 2.611 1.00 54.41 H new ATOM 0 HD2 LYS A 38 -13.676 11.270 2.765 1.00 10.24 H new ATOM 0 HD3 LYS A 38 -13.402 12.999 2.842 1.00 10.24 H new ATOM 0 HE2 LYS A 38 -12.562 11.235 0.506 1.00 72.34 H new ATOM 0 HE3 LYS A 38 -14.053 12.154 0.560 1.00 72.34 H new ATOM 0 HZ1 LYS A 38 -12.417 13.372 -0.652 1.00 11.14 H new ATOM 0 HZ2 LYS A 38 -12.703 14.191 0.808 1.00 11.14 H new ATOM 0 HZ3 LYS A 38 -11.295 13.261 0.617 1.00 11.14 H new ATOM 599 N GLY A 39 -14.287 10.100 5.551 1.00 43.41 N ATOM 600 CA GLY A 39 -15.653 9.697 5.214 1.00 42.12 C ATOM 601 C GLY A 39 -15.821 8.190 5.002 1.00 62.13 C ATOM 602 O GLY A 39 -15.913 7.423 5.960 1.00 63.32 O ATOM 0 H GLY A 39 -14.197 10.577 6.448 1.00 43.41 H new ATOM 0 HA2 GLY A 39 -16.323 10.019 6.011 1.00 42.12 H new ATOM 0 HA3 GLY A 39 -15.962 10.218 4.308 1.00 42.12 H new ATOM 606 N ALA A 40 -15.858 7.772 3.738 1.00 1.53 N ATOM 607 CA ALA A 40 -16.045 6.355 3.384 1.00 10.22 C ATOM 608 C ALA A 40 -14.937 5.854 2.444 1.00 73.10 C ATOM 609 O ALA A 40 -15.080 4.822 1.779 1.00 43.24 O ATOM 610 CB ALA A 40 -17.409 6.164 2.741 1.00 14.04 C ATOM 0 H ALA A 40 -15.761 8.393 2.935 1.00 1.53 H new ATOM 0 HA ALA A 40 -15.988 5.766 4.300 1.00 10.22 H new ATOM 0 HB1 ALA A 40 -17.544 5.114 2.480 1.00 14.04 H new ATOM 0 HB2 ALA A 40 -18.187 6.467 3.441 1.00 14.04 H new ATOM 0 HB3 ALA A 40 -17.475 6.773 1.840 1.00 14.04 H new ATOM 616 N GLN A 41 -13.831 6.585 2.408 1.00 2.55 N ATOM 617 CA GLN A 41 -12.704 6.267 1.528 1.00 55.22 C ATOM 618 C GLN A 41 -11.756 5.249 2.178 1.00 15.41 C ATOM 619 O GLN A 41 -11.130 5.542 3.192 1.00 34.31 O ATOM 620 CB GLN A 41 -11.947 7.562 1.208 1.00 0.51 C ATOM 621 CG GLN A 41 -12.835 8.648 0.613 1.00 10.25 C ATOM 622 CD GLN A 41 -13.314 8.320 -0.787 1.00 42.33 C ATOM 623 OE1 GLN A 41 -14.331 7.661 -0.979 1.00 60.53 O ATOM 624 NE2 GLN A 41 -12.589 8.792 -1.780 1.00 70.22 N ATOM 0 H GLN A 41 -13.685 7.414 2.985 1.00 2.55 H new ATOM 0 HA GLN A 41 -13.088 5.819 0.611 1.00 55.22 H new ATOM 0 HB2 GLN A 41 -11.485 7.939 2.120 1.00 0.51 H new ATOM 0 HB3 GLN A 41 -11.140 7.340 0.510 1.00 0.51 H new ATOM 0 HG2 GLN A 41 -13.699 8.799 1.261 1.00 10.25 H new ATOM 0 HG3 GLN A 41 -12.285 9.589 0.592 1.00 10.25 H new ATOM 0 HE21 GLN A 41 -11.749 9.336 -1.584 1.00 70.22 H new ATOM 0 HE22 GLN A 41 -12.868 8.613 -2.745 1.00 70.22 H new ATOM 633 N TYR A 42 -11.641 4.058 1.588 1.00 15.52 N ATOM 634 CA TYR A 42 -10.793 2.998 2.155 1.00 62.31 C ATOM 635 C TYR A 42 -9.841 2.394 1.109 1.00 40.50 C ATOM 636 O TYR A 42 -10.137 2.379 -0.087 1.00 12.13 O ATOM 637 CB TYR A 42 -11.665 1.883 2.761 1.00 44.15 C ATOM 638 CG TYR A 42 -12.487 1.116 1.738 1.00 42.30 C ATOM 639 CD1 TYR A 42 -13.715 1.600 1.293 1.00 32.52 C ATOM 640 CD2 TYR A 42 -12.035 -0.094 1.215 1.00 11.42 C ATOM 641 CE1 TYR A 42 -14.463 0.904 0.362 1.00 2.40 C ATOM 642 CE2 TYR A 42 -12.780 -0.793 0.283 1.00 44.13 C ATOM 643 CZ TYR A 42 -13.993 -0.291 -0.139 1.00 2.21 C ATOM 644 OH TYR A 42 -14.739 -0.981 -1.069 1.00 10.23 O ATOM 0 H TYR A 42 -12.119 3.800 0.724 1.00 15.52 H new ATOM 0 HA TYR A 42 -10.185 3.458 2.935 1.00 62.31 H new ATOM 0 HB2 TYR A 42 -11.022 1.183 3.294 1.00 44.15 H new ATOM 0 HB3 TYR A 42 -12.338 2.322 3.497 1.00 44.15 H new ATOM 0 HD1 TYR A 42 -14.089 2.535 1.682 1.00 32.52 H new ATOM 0 HD2 TYR A 42 -11.086 -0.493 1.543 1.00 11.42 H new ATOM 0 HE1 TYR A 42 -15.413 1.295 0.028 1.00 2.40 H new ATOM 0 HE2 TYR A 42 -12.413 -1.729 -0.113 1.00 44.13 H new ATOM 0 HH TYR A 42 -14.268 -1.802 -1.322 1.00 10.23 H new ATOM 654 N ASN A 43 -8.697 1.896 1.577 1.00 33.23 N ATOM 655 CA ASN A 43 -7.728 1.192 0.721 1.00 12.23 C ATOM 656 C ASN A 43 -7.368 -0.172 1.321 1.00 24.40 C ATOM 657 O ASN A 43 -6.803 -0.250 2.414 1.00 74.21 O ATOM 658 CB ASN A 43 -6.452 2.027 0.546 1.00 62.15 C ATOM 659 CG ASN A 43 -6.697 3.287 -0.258 1.00 42.12 C ATOM 660 OD1 ASN A 43 -7.048 4.327 0.285 1.00 60.50 O ATOM 661 ND2 ASN A 43 -6.517 3.205 -1.561 1.00 33.43 N ATOM 0 H ASN A 43 -8.412 1.966 2.554 1.00 33.23 H new ATOM 0 HA ASN A 43 -8.191 1.042 -0.254 1.00 12.23 H new ATOM 0 HB2 ASN A 43 -6.058 2.295 1.526 1.00 62.15 H new ATOM 0 HB3 ASN A 43 -5.691 1.424 0.050 1.00 62.15 H new ATOM 0 HD21 ASN A 43 -6.671 4.024 -2.150 1.00 33.43 H new ATOM 0 HD22 ASN A 43 -6.224 2.323 -1.981 1.00 33.43 H new ATOM 668 N LEU A 44 -7.695 -1.244 0.610 1.00 4.43 N ATOM 669 CA LEU A 44 -7.358 -2.598 1.064 1.00 72.33 C ATOM 670 C LEU A 44 -6.042 -3.064 0.432 1.00 34.41 C ATOM 671 O LEU A 44 -6.000 -3.433 -0.745 1.00 21.44 O ATOM 672 CB LEU A 44 -8.494 -3.578 0.728 1.00 22.23 C ATOM 673 CG LEU A 44 -8.242 -5.050 1.112 1.00 11.31 C ATOM 674 CD1 LEU A 44 -7.935 -5.187 2.602 1.00 3.24 C ATOM 675 CD2 LEU A 44 -9.441 -5.914 0.730 1.00 53.14 C ATOM 0 H LEU A 44 -8.191 -1.208 -0.280 1.00 4.43 H new ATOM 0 HA LEU A 44 -7.232 -2.576 2.146 1.00 72.33 H new ATOM 0 HB2 LEU A 44 -9.401 -3.241 1.230 1.00 22.23 H new ATOM 0 HB3 LEU A 44 -8.686 -3.529 -0.344 1.00 22.23 H new ATOM 0 HG LEU A 44 -7.371 -5.398 0.557 1.00 11.31 H new ATOM 0 HD11 LEU A 44 -7.762 -6.236 2.843 1.00 3.24 H new ATOM 0 HD12 LEU A 44 -7.045 -4.607 2.845 1.00 3.24 H new ATOM 0 HD13 LEU A 44 -8.779 -4.816 3.183 1.00 3.24 H new ATOM 0 HD21 LEU A 44 -9.246 -6.950 1.008 1.00 53.14 H new ATOM 0 HD22 LEU A 44 -10.328 -5.558 1.254 1.00 53.14 H new ATOM 0 HD23 LEU A 44 -9.606 -5.852 -0.346 1.00 53.14 H new ATOM 687 N MET A 45 -4.971 -3.039 1.219 1.00 63.21 N ATOM 688 CA MET A 45 -3.639 -3.402 0.731 1.00 64.21 C ATOM 689 C MET A 45 -3.347 -4.892 0.964 1.00 21.31 C ATOM 690 O MET A 45 -3.636 -5.434 2.034 1.00 1.34 O ATOM 691 CB MET A 45 -2.570 -2.546 1.422 1.00 21.33 C ATOM 692 CG MET A 45 -2.770 -1.046 1.244 1.00 13.12 C ATOM 693 SD MET A 45 -2.690 -0.531 -0.483 1.00 1.43 S ATOM 694 CE MET A 45 -0.991 -0.926 -0.891 1.00 63.32 C ATOM 0 H MET A 45 -4.997 -2.770 2.203 1.00 63.21 H new ATOM 0 HA MET A 45 -3.613 -3.214 -0.342 1.00 64.21 H new ATOM 0 HB2 MET A 45 -2.565 -2.778 2.487 1.00 21.33 H new ATOM 0 HB3 MET A 45 -1.590 -2.821 1.031 1.00 21.33 H new ATOM 0 HG2 MET A 45 -3.737 -0.761 1.659 1.00 13.12 H new ATOM 0 HG3 MET A 45 -2.009 -0.512 1.813 1.00 13.12 H new ATOM 0 HE1 MET A 45 -0.704 -0.401 -1.802 1.00 63.32 H new ATOM 0 HE2 MET A 45 -0.339 -0.617 -0.074 1.00 63.32 H new ATOM 0 HE3 MET A 45 -0.894 -2.001 -1.045 1.00 63.32 H new ATOM 704 N GLU A 46 -2.767 -5.547 -0.041 1.00 24.23 N ATOM 705 CA GLU A 46 -2.440 -6.973 0.048 1.00 53.11 C ATOM 706 C GLU A 46 -0.946 -7.218 -0.236 1.00 42.32 C ATOM 707 O GLU A 46 -0.462 -6.970 -1.342 1.00 32.00 O ATOM 708 CB GLU A 46 -3.299 -7.775 -0.940 1.00 64.12 C ATOM 709 CG GLU A 46 -3.119 -9.287 -0.821 1.00 73.12 C ATOM 710 CD GLU A 46 -3.900 -10.063 -1.872 1.00 24.13 C ATOM 711 OE1 GLU A 46 -5.121 -10.247 -1.704 1.00 14.43 O ATOM 712 OE2 GLU A 46 -3.297 -10.495 -2.874 1.00 35.42 O ATOM 0 H GLU A 46 -2.513 -5.114 -0.929 1.00 24.23 H new ATOM 0 HA GLU A 46 -2.654 -7.306 1.064 1.00 53.11 H new ATOM 0 HB2 GLU A 46 -4.349 -7.529 -0.779 1.00 64.12 H new ATOM 0 HB3 GLU A 46 -3.052 -7.467 -1.956 1.00 64.12 H new ATOM 0 HG2 GLU A 46 -2.060 -9.530 -0.910 1.00 73.12 H new ATOM 0 HG3 GLU A 46 -3.437 -9.608 0.171 1.00 73.12 H new ATOM 719 N VAL A 47 -0.229 -7.697 0.776 1.00 22.15 N ATOM 720 CA VAL A 47 1.183 -8.067 0.639 1.00 34.44 C ATOM 721 C VAL A 47 1.338 -9.579 0.406 1.00 14.31 C ATOM 722 O VAL A 47 1.014 -10.388 1.274 1.00 40.55 O ATOM 723 CB VAL A 47 1.994 -7.672 1.901 1.00 24.53 C ATOM 724 CG1 VAL A 47 3.478 -7.995 1.722 1.00 61.01 C ATOM 725 CG2 VAL A 47 1.792 -6.196 2.237 1.00 54.24 C ATOM 0 H VAL A 47 -0.605 -7.841 1.713 1.00 22.15 H new ATOM 0 HA VAL A 47 1.570 -7.524 -0.223 1.00 34.44 H new ATOM 0 HB VAL A 47 1.622 -8.262 2.739 1.00 24.53 H new ATOM 0 HG11 VAL A 47 4.024 -7.708 2.621 1.00 61.01 H new ATOM 0 HG12 VAL A 47 3.599 -9.064 1.549 1.00 61.01 H new ATOM 0 HG13 VAL A 47 3.870 -7.443 0.868 1.00 61.01 H new ATOM 0 HG21 VAL A 47 2.370 -5.943 3.125 1.00 54.24 H new ATOM 0 HG22 VAL A 47 2.126 -5.583 1.400 1.00 54.24 H new ATOM 0 HG23 VAL A 47 0.735 -6.007 2.426 1.00 54.24 H new ATOM 735 N ASP A 48 1.846 -9.950 -0.761 1.00 33.40 N ATOM 736 CA ASP A 48 2.056 -11.356 -1.112 1.00 12.02 C ATOM 737 C ASP A 48 3.562 -11.682 -1.135 1.00 62.10 C ATOM 738 O ASP A 48 4.393 -10.784 -0.990 1.00 22.11 O ATOM 739 CB ASP A 48 1.402 -11.658 -2.468 1.00 4.42 C ATOM 740 CG ASP A 48 1.343 -13.143 -2.773 1.00 61.20 C ATOM 741 OD1 ASP A 48 0.458 -13.834 -2.226 1.00 4.32 O ATOM 742 OD2 ASP A 48 2.186 -13.636 -3.551 1.00 15.55 O ATOM 0 H ASP A 48 2.124 -9.293 -1.490 1.00 33.40 H new ATOM 0 HA ASP A 48 1.588 -11.989 -0.357 1.00 12.02 H new ATOM 0 HB2 ASP A 48 0.392 -11.249 -2.478 1.00 4.42 H new ATOM 0 HB3 ASP A 48 1.959 -11.151 -3.256 1.00 4.42 H new ATOM 747 N GLY A 49 3.898 -12.969 -1.252 1.00 53.44 N ATOM 748 CA GLY A 49 5.295 -13.410 -1.284 1.00 61.43 C ATOM 749 C GLY A 49 6.242 -12.475 -2.044 1.00 4.03 C ATOM 750 O GLY A 49 6.358 -12.547 -3.272 1.00 55.13 O ATOM 0 H GLY A 49 3.219 -13.727 -1.326 1.00 53.44 H new ATOM 0 HA2 GLY A 49 5.653 -13.514 -0.260 1.00 61.43 H new ATOM 0 HA3 GLY A 49 5.340 -14.399 -1.739 1.00 61.43 H new ATOM 754 N GLU A 50 6.899 -11.585 -1.295 1.00 75.31 N ATOM 755 CA GLU A 50 7.905 -10.655 -1.835 1.00 22.52 C ATOM 756 C GLU A 50 7.316 -9.681 -2.879 1.00 70.44 C ATOM 757 O GLU A 50 7.978 -9.314 -3.849 1.00 71.44 O ATOM 758 CB GLU A 50 9.098 -11.446 -2.411 1.00 2.42 C ATOM 759 CG GLU A 50 9.706 -12.425 -1.403 1.00 73.23 C ATOM 760 CD GLU A 50 11.035 -13.019 -1.853 1.00 62.20 C ATOM 761 OE1 GLU A 50 11.034 -13.991 -2.636 1.00 73.30 O ATOM 762 OE2 GLU A 50 12.091 -12.524 -1.406 1.00 65.03 O ATOM 0 H GLU A 50 6.750 -11.486 -0.291 1.00 75.31 H new ATOM 0 HA GLU A 50 8.257 -10.035 -1.011 1.00 22.52 H new ATOM 0 HB2 GLU A 50 8.770 -11.997 -3.293 1.00 2.42 H new ATOM 0 HB3 GLU A 50 9.867 -10.746 -2.740 1.00 2.42 H new ATOM 0 HG2 GLU A 50 9.851 -11.911 -0.453 1.00 73.23 H new ATOM 0 HG3 GLU A 50 8.998 -13.234 -1.223 1.00 73.23 H new ATOM 769 N ARG A 51 6.077 -9.233 -2.642 1.00 61.14 N ATOM 770 CA ARG A 51 5.398 -8.285 -3.538 1.00 54.02 C ATOM 771 C ARG A 51 4.164 -7.665 -2.854 1.00 43.33 C ATOM 772 O ARG A 51 3.661 -8.201 -1.866 1.00 33.12 O ATOM 773 CB ARG A 51 4.984 -9.009 -4.828 1.00 41.21 C ATOM 774 CG ARG A 51 3.914 -10.075 -4.614 1.00 75.23 C ATOM 775 CD ARG A 51 3.867 -11.080 -5.760 1.00 63.22 C ATOM 776 NE ARG A 51 5.036 -11.958 -5.751 1.00 1.51 N ATOM 777 CZ ARG A 51 5.339 -12.792 -6.708 1.00 34.52 C ATOM 778 NH1 ARG A 51 4.607 -12.863 -7.776 1.00 64.35 N ATOM 779 NH2 ARG A 51 6.371 -13.563 -6.579 1.00 42.01 N ATOM 0 H ARG A 51 5.521 -9.513 -1.834 1.00 61.14 H new ATOM 0 HA ARG A 51 6.088 -7.476 -3.780 1.00 54.02 H new ATOM 0 HB2 ARG A 51 4.615 -8.275 -5.544 1.00 41.21 H new ATOM 0 HB3 ARG A 51 5.864 -9.474 -5.272 1.00 41.21 H new ATOM 0 HG2 ARG A 51 4.109 -10.601 -3.679 1.00 75.23 H new ATOM 0 HG3 ARG A 51 2.940 -9.595 -4.513 1.00 75.23 H new ATOM 0 HD2 ARG A 51 2.960 -11.679 -5.683 1.00 63.22 H new ATOM 0 HD3 ARG A 51 3.818 -10.548 -6.710 1.00 63.22 H new ATOM 0 HE ARG A 51 5.656 -11.916 -4.942 1.00 1.51 H new ATOM 0 HH11 ARG A 51 3.787 -12.264 -7.873 1.00 64.35 H new ATOM 0 HH12 ARG A 51 4.851 -13.518 -8.519 1.00 64.35 H new ATOM 0 HH21 ARG A 51 6.940 -13.516 -5.734 1.00 42.01 H new ATOM 0 HH22 ARG A 51 6.615 -14.218 -7.322 1.00 42.01 H new ATOM 793 N ILE A 52 3.670 -6.542 -3.378 1.00 45.35 N ATOM 794 CA ILE A 52 2.500 -5.866 -2.785 1.00 20.11 C ATOM 795 C ILE A 52 1.553 -5.291 -3.859 1.00 3.52 C ATOM 796 O ILE A 52 1.979 -4.950 -4.960 1.00 70.23 O ATOM 797 CB ILE A 52 2.944 -4.731 -1.819 1.00 33.53 C ATOM 798 CG1 ILE A 52 1.729 -4.120 -1.095 1.00 72.10 C ATOM 799 CG2 ILE A 52 3.717 -3.650 -2.575 1.00 62.34 C ATOM 800 CD1 ILE A 52 2.086 -3.064 -0.067 1.00 42.04 C ATOM 0 H ILE A 52 4.052 -6.080 -4.203 1.00 45.35 H new ATOM 0 HA ILE A 52 1.953 -6.624 -2.224 1.00 20.11 H new ATOM 0 HB ILE A 52 3.605 -5.165 -1.069 1.00 33.53 H new ATOM 0 HG12 ILE A 52 1.062 -3.679 -1.836 1.00 72.10 H new ATOM 0 HG13 ILE A 52 1.174 -4.918 -0.602 1.00 72.10 H new ATOM 0 HG21 ILE A 52 4.018 -2.865 -1.881 1.00 62.34 H new ATOM 0 HG22 ILE A 52 4.603 -4.089 -3.033 1.00 62.34 H new ATOM 0 HG23 ILE A 52 3.081 -3.223 -3.351 1.00 62.34 H new ATOM 0 HD11 ILE A 52 1.175 -2.685 0.396 1.00 42.04 H new ATOM 0 HD12 ILE A 52 2.727 -3.503 0.698 1.00 42.04 H new ATOM 0 HD13 ILE A 52 2.613 -2.244 -0.555 1.00 42.04 H new ATOM 812 N ARG A 53 0.262 -5.199 -3.529 1.00 41.14 N ATOM 813 CA ARG A 53 -0.743 -4.617 -4.433 1.00 13.33 C ATOM 814 C ARG A 53 -1.918 -4.005 -3.652 1.00 45.25 C ATOM 815 O ARG A 53 -2.051 -4.211 -2.446 1.00 44.31 O ATOM 816 CB ARG A 53 -1.305 -5.687 -5.378 1.00 61.41 C ATOM 817 CG ARG A 53 -2.100 -6.778 -4.660 1.00 2.42 C ATOM 818 CD ARG A 53 -3.100 -7.458 -5.586 1.00 21.02 C ATOM 819 NE ARG A 53 -3.859 -8.501 -4.897 1.00 44.33 N ATOM 820 CZ ARG A 53 -5.097 -8.815 -5.169 1.00 64.33 C ATOM 821 NH1 ARG A 53 -5.742 -8.206 -6.114 1.00 14.32 N ATOM 822 NH2 ARG A 53 -5.689 -9.735 -4.483 1.00 70.12 N ATOM 0 H ARG A 53 -0.117 -5.521 -2.638 1.00 41.14 H new ATOM 0 HA ARG A 53 -0.240 -3.835 -5.002 1.00 13.33 H new ATOM 0 HB2 ARG A 53 -1.947 -5.207 -6.117 1.00 61.41 H new ATOM 0 HB3 ARG A 53 -0.481 -6.148 -5.923 1.00 61.41 H new ATOM 0 HG2 ARG A 53 -1.413 -7.523 -4.259 1.00 2.42 H new ATOM 0 HG3 ARG A 53 -2.629 -6.343 -3.812 1.00 2.42 H new ATOM 0 HD2 ARG A 53 -3.788 -6.714 -5.987 1.00 21.02 H new ATOM 0 HD3 ARG A 53 -2.572 -7.894 -6.434 1.00 21.02 H new ATOM 0 HE ARG A 53 -3.390 -9.018 -4.154 1.00 44.33 H new ATOM 0 HH11 ARG A 53 -5.283 -7.473 -6.654 1.00 14.32 H new ATOM 0 HH12 ARG A 53 -6.709 -8.460 -6.317 1.00 14.32 H new ATOM 0 HH21 ARG A 53 -5.190 -10.213 -3.733 1.00 70.12 H new ATOM 0 HH22 ARG A 53 -6.656 -9.984 -4.691 1.00 70.12 H new ATOM 836 N ILE A 54 -2.769 -3.254 -4.353 1.00 2.22 N ATOM 837 CA ILE A 54 -4.053 -2.813 -3.792 1.00 41.02 C ATOM 838 C ILE A 54 -5.169 -3.788 -4.205 1.00 65.12 C ATOM 839 O ILE A 54 -5.507 -3.893 -5.383 1.00 45.45 O ATOM 840 CB ILE A 54 -4.430 -1.380 -4.256 1.00 43.45 C ATOM 841 CG1 ILE A 54 -3.368 -0.364 -3.799 1.00 32.43 C ATOM 842 CG2 ILE A 54 -5.811 -0.991 -3.733 1.00 24.41 C ATOM 843 CD1 ILE A 54 -3.705 1.076 -4.136 1.00 13.44 C ATOM 0 H ILE A 54 -2.596 -2.938 -5.307 1.00 2.22 H new ATOM 0 HA ILE A 54 -3.945 -2.800 -2.707 1.00 41.02 H new ATOM 0 HB ILE A 54 -4.463 -1.371 -5.345 1.00 43.45 H new ATOM 0 HG12 ILE A 54 -3.236 -0.452 -2.721 1.00 32.43 H new ATOM 0 HG13 ILE A 54 -2.414 -0.620 -4.259 1.00 32.43 H new ATOM 0 HG21 ILE A 54 -6.057 0.016 -4.069 1.00 24.41 H new ATOM 0 HG22 ILE A 54 -6.555 -1.692 -4.113 1.00 24.41 H new ATOM 0 HG23 ILE A 54 -5.809 -1.020 -2.643 1.00 24.41 H new ATOM 0 HD11 ILE A 54 -2.908 1.729 -3.781 1.00 13.44 H new ATOM 0 HD12 ILE A 54 -3.807 1.183 -5.216 1.00 13.44 H new ATOM 0 HD13 ILE A 54 -4.642 1.353 -3.654 1.00 13.44 H new ATOM 855 N LYS A 55 -5.732 -4.505 -3.235 1.00 54.43 N ATOM 856 CA LYS A 55 -6.768 -5.506 -3.515 1.00 33.34 C ATOM 857 C LYS A 55 -8.123 -4.847 -3.826 1.00 31.13 C ATOM 858 O LYS A 55 -8.791 -5.208 -4.797 1.00 2.22 O ATOM 859 CB LYS A 55 -6.909 -6.465 -2.326 1.00 41.22 C ATOM 860 CG LYS A 55 -7.900 -7.602 -2.568 1.00 72.32 C ATOM 861 CD LYS A 55 -8.013 -8.526 -1.358 1.00 31.42 C ATOM 862 CE LYS A 55 -8.969 -9.687 -1.611 1.00 20.12 C ATOM 863 NZ LYS A 55 -10.356 -9.227 -1.900 1.00 0.32 N ATOM 0 H LYS A 55 -5.491 -4.414 -2.248 1.00 54.43 H new ATOM 0 HA LYS A 55 -6.460 -6.067 -4.397 1.00 33.34 H new ATOM 0 HB2 LYS A 55 -5.932 -6.890 -2.095 1.00 41.22 H new ATOM 0 HB3 LYS A 55 -7.226 -5.899 -1.450 1.00 41.22 H new ATOM 0 HG2 LYS A 55 -8.880 -7.186 -2.800 1.00 72.32 H new ATOM 0 HG3 LYS A 55 -7.585 -8.179 -3.437 1.00 72.32 H new ATOM 0 HD2 LYS A 55 -7.027 -8.917 -1.107 1.00 31.42 H new ATOM 0 HD3 LYS A 55 -8.358 -7.954 -0.496 1.00 31.42 H new ATOM 0 HE2 LYS A 55 -8.603 -10.279 -2.450 1.00 20.12 H new ATOM 0 HE3 LYS A 55 -8.980 -10.342 -0.739 1.00 20.12 H new ATOM 0 HZ1 LYS A 55 -10.997 -10.046 -1.914 1.00 0.32 H new ATOM 0 HZ2 LYS A 55 -10.661 -8.560 -1.163 1.00 0.32 H new ATOM 0 HZ3 LYS A 55 -10.379 -8.753 -2.826 1.00 0.32 H new ATOM 877 N GLU A 56 -8.519 -3.878 -3.003 1.00 73.32 N ATOM 878 CA GLU A 56 -9.806 -3.193 -3.177 1.00 34.13 C ATOM 879 C GLU A 56 -9.693 -1.698 -2.829 1.00 11.33 C ATOM 880 O GLU A 56 -9.026 -1.323 -1.863 1.00 13.21 O ATOM 881 CB GLU A 56 -10.879 -3.861 -2.301 1.00 11.03 C ATOM 882 CG GLU A 56 -12.293 -3.326 -2.519 1.00 21.52 C ATOM 883 CD GLU A 56 -12.818 -3.601 -3.921 1.00 72.32 C ATOM 884 OE1 GLU A 56 -13.299 -4.727 -4.172 1.00 11.54 O ATOM 885 OE2 GLU A 56 -12.758 -2.691 -4.776 1.00 61.25 O ATOM 0 H GLU A 56 -7.971 -3.547 -2.209 1.00 73.32 H new ATOM 0 HA GLU A 56 -10.095 -3.274 -4.225 1.00 34.13 H new ATOM 0 HB2 GLU A 56 -10.875 -4.933 -2.497 1.00 11.03 H new ATOM 0 HB3 GLU A 56 -10.610 -3.727 -1.253 1.00 11.03 H new ATOM 0 HG2 GLU A 56 -12.964 -3.779 -1.789 1.00 21.52 H new ATOM 0 HG3 GLU A 56 -12.302 -2.251 -2.337 1.00 21.52 H new ATOM 892 N ASP A 57 -10.358 -0.856 -3.614 1.00 14.24 N ATOM 893 CA ASP A 57 -10.288 0.602 -3.439 1.00 2.04 C ATOM 894 C ASP A 57 -11.454 1.308 -4.158 1.00 23.32 C ATOM 895 O ASP A 57 -11.792 0.973 -5.296 1.00 61.10 O ATOM 896 CB ASP A 57 -8.927 1.115 -3.952 1.00 65.25 C ATOM 897 CG ASP A 57 -8.914 2.605 -4.275 1.00 52.44 C ATOM 898 OD1 ASP A 57 -9.328 2.977 -5.395 1.00 22.15 O ATOM 899 OD2 ASP A 57 -8.499 3.407 -3.418 1.00 12.52 O ATOM 0 H ASP A 57 -10.957 -1.155 -4.384 1.00 14.24 H new ATOM 0 HA ASP A 57 -10.378 0.834 -2.378 1.00 2.04 H new ATOM 0 HB2 ASP A 57 -8.165 0.909 -3.201 1.00 65.25 H new ATOM 0 HB3 ASP A 57 -8.652 0.556 -4.847 1.00 65.25 H new ATOM 904 N ASN A 58 -12.061 2.289 -3.490 1.00 5.42 N ATOM 905 CA ASN A 58 -13.187 3.034 -4.066 1.00 72.31 C ATOM 906 C ASN A 58 -12.786 4.471 -4.463 1.00 61.53 C ATOM 907 O ASN A 58 -13.427 5.447 -4.064 1.00 72.54 O ATOM 908 CB ASN A 58 -14.380 3.043 -3.090 1.00 32.10 C ATOM 909 CG ASN A 58 -14.063 3.672 -1.741 1.00 54.14 C ATOM 910 OD1 ASN A 58 -12.931 3.642 -1.269 1.00 13.32 O ATOM 911 ND2 ASN A 58 -15.070 4.231 -1.097 1.00 54.30 N ATOM 0 H ASN A 58 -11.795 2.588 -2.552 1.00 5.42 H new ATOM 0 HA ASN A 58 -13.488 2.523 -4.981 1.00 72.31 H new ATOM 0 HB2 ASN A 58 -15.208 3.584 -3.548 1.00 32.10 H new ATOM 0 HB3 ASN A 58 -14.717 2.018 -2.933 1.00 32.10 H new ATOM 0 HD21 ASN A 58 -14.918 4.654 -0.181 1.00 54.30 H new ATOM 0 HD22 ASN A 58 -16.000 4.241 -1.515 1.00 54.30 H new ATOM 918 N SER A 59 -11.703 4.599 -5.227 1.00 1.51 N ATOM 919 CA SER A 59 -11.305 5.890 -5.815 1.00 43.21 C ATOM 920 C SER A 59 -11.786 5.981 -7.269 1.00 12.12 C ATOM 921 O SER A 59 -11.440 5.131 -8.085 1.00 1.34 O ATOM 922 CB SER A 59 -9.779 6.069 -5.780 1.00 1.20 C ATOM 923 OG SER A 59 -9.279 6.005 -4.457 1.00 60.20 O ATOM 0 H SER A 59 -11.079 3.826 -5.458 1.00 1.51 H new ATOM 0 HA SER A 59 -11.766 6.680 -5.222 1.00 43.21 H new ATOM 0 HB2 SER A 59 -9.307 5.296 -6.386 1.00 1.20 H new ATOM 0 HB3 SER A 59 -9.514 7.028 -6.224 1.00 1.20 H new ATOM 0 HG SER A 59 -10.020 5.854 -3.834 1.00 60.20 H new ATOM 929 N PRO A 60 -12.558 7.030 -7.626 1.00 52.14 N ATOM 930 CA PRO A 60 -13.156 7.164 -8.971 1.00 34.42 C ATOM 931 C PRO A 60 -12.127 7.032 -10.109 1.00 65.55 C ATOM 932 O PRO A 60 -12.440 6.537 -11.194 1.00 54.40 O ATOM 933 CB PRO A 60 -13.779 8.575 -8.955 1.00 63.32 C ATOM 934 CG PRO A 60 -13.184 9.259 -7.768 1.00 1.14 C ATOM 935 CD PRO A 60 -12.906 8.174 -6.768 1.00 1.14 C ATOM 0 HA PRO A 60 -13.876 6.369 -9.166 1.00 34.42 H new ATOM 0 HB2 PRO A 60 -13.552 9.115 -9.874 1.00 63.32 H new ATOM 0 HB3 PRO A 60 -14.865 8.524 -8.875 1.00 63.32 H new ATOM 0 HG2 PRO A 60 -12.269 9.786 -8.038 1.00 1.14 H new ATOM 0 HG3 PRO A 60 -13.870 10.001 -7.360 1.00 1.14 H new ATOM 0 HD2 PRO A 60 -12.090 8.441 -6.097 1.00 1.14 H new ATOM 0 HD3 PRO A 60 -13.775 7.964 -6.145 1.00 1.14 H new ATOM 943 N ASP A 61 -10.901 7.484 -9.853 1.00 74.11 N ATOM 944 CA ASP A 61 -9.816 7.402 -10.837 1.00 63.44 C ATOM 945 C ASP A 61 -9.266 5.967 -10.967 1.00 62.11 C ATOM 946 O ASP A 61 -8.819 5.560 -12.041 1.00 31.12 O ATOM 947 CB ASP A 61 -8.694 8.362 -10.437 1.00 60.10 C ATOM 948 CG ASP A 61 -9.218 9.764 -10.188 1.00 43.01 C ATOM 949 OD1 ASP A 61 -9.346 10.539 -11.156 1.00 4.13 O ATOM 950 OD2 ASP A 61 -9.524 10.089 -9.023 1.00 50.32 O ATOM 0 H ASP A 61 -10.630 7.914 -8.968 1.00 74.11 H new ATOM 0 HA ASP A 61 -10.218 7.685 -11.810 1.00 63.44 H new ATOM 0 HB2 ASP A 61 -8.202 7.992 -9.537 1.00 60.10 H new ATOM 0 HB3 ASP A 61 -7.940 8.389 -11.224 1.00 60.10 H new ATOM 955 N GLN A 62 -9.304 5.211 -9.863 1.00 65.23 N ATOM 956 CA GLN A 62 -8.831 3.813 -9.833 1.00 62.31 C ATOM 957 C GLN A 62 -7.337 3.672 -10.191 1.00 23.14 C ATOM 958 O GLN A 62 -6.885 2.589 -10.563 1.00 54.31 O ATOM 959 CB GLN A 62 -9.684 2.949 -10.778 1.00 42.24 C ATOM 960 CG GLN A 62 -11.095 2.668 -10.267 1.00 2.14 C ATOM 961 CD GLN A 62 -11.101 1.760 -9.046 1.00 72.30 C ATOM 962 OE1 GLN A 62 -11.133 0.544 -9.169 1.00 42.13 O ATOM 963 NE2 GLN A 62 -11.073 2.340 -7.863 1.00 51.34 N ATOM 0 H GLN A 62 -9.661 5.545 -8.968 1.00 65.23 H new ATOM 0 HA GLN A 62 -8.942 3.465 -8.806 1.00 62.31 H new ATOM 0 HB2 GLN A 62 -9.752 3.447 -11.745 1.00 42.24 H new ATOM 0 HB3 GLN A 62 -9.174 2.000 -10.944 1.00 42.24 H new ATOM 0 HG2 GLN A 62 -11.582 3.611 -10.018 1.00 2.14 H new ATOM 0 HG3 GLN A 62 -11.681 2.207 -11.062 1.00 2.14 H new ATOM 0 HE21 GLN A 62 -11.047 3.357 -7.794 1.00 51.34 H new ATOM 0 HE22 GLN A 62 -11.078 1.772 -7.016 1.00 51.34 H new ATOM 972 N VAL A 63 -6.567 4.751 -10.031 1.00 63.23 N ATOM 973 CA VAL A 63 -5.137 4.750 -10.387 1.00 23.12 C ATOM 974 C VAL A 63 -4.375 3.591 -9.715 1.00 34.34 C ATOM 975 O VAL A 63 -3.693 2.810 -10.383 1.00 33.45 O ATOM 976 CB VAL A 63 -4.459 6.087 -9.995 1.00 71.01 C ATOM 977 CG1 VAL A 63 -2.983 6.099 -10.395 1.00 51.13 C ATOM 978 CG2 VAL A 63 -5.198 7.271 -10.616 1.00 34.14 C ATOM 0 H VAL A 63 -6.905 5.638 -9.658 1.00 63.23 H new ATOM 0 HA VAL A 63 -5.092 4.620 -11.468 1.00 23.12 H new ATOM 0 HB VAL A 63 -4.511 6.181 -8.910 1.00 71.01 H new ATOM 0 HG11 VAL A 63 -2.536 7.050 -10.107 1.00 51.13 H new ATOM 0 HG12 VAL A 63 -2.463 5.285 -9.890 1.00 51.13 H new ATOM 0 HG13 VAL A 63 -2.897 5.970 -11.474 1.00 51.13 H new ATOM 0 HG21 VAL A 63 -4.705 8.199 -10.328 1.00 34.14 H new ATOM 0 HG22 VAL A 63 -5.188 7.177 -11.702 1.00 34.14 H new ATOM 0 HG23 VAL A 63 -6.229 7.283 -10.262 1.00 34.14 H new ATOM 988 N GLY A 64 -4.517 3.471 -8.397 1.00 44.41 N ATOM 989 CA GLY A 64 -3.838 2.408 -7.660 1.00 31.15 C ATOM 990 C GLY A 64 -4.247 1.003 -8.106 1.00 60.15 C ATOM 991 O GLY A 64 -3.406 0.109 -8.231 1.00 21.41 O ATOM 0 H GLY A 64 -5.090 4.089 -7.822 1.00 44.41 H new ATOM 0 HA2 GLY A 64 -2.761 2.521 -7.783 1.00 31.15 H new ATOM 0 HA3 GLY A 64 -4.051 2.520 -6.597 1.00 31.15 H new ATOM 995 N VAL A 65 -5.541 0.817 -8.363 1.00 5.04 N ATOM 996 CA VAL A 65 -6.072 -0.483 -8.796 1.00 3.33 C ATOM 997 C VAL A 65 -5.540 -0.877 -10.187 1.00 63.14 C ATOM 998 O VAL A 65 -5.323 -2.056 -10.473 1.00 45.40 O ATOM 999 CB VAL A 65 -7.622 -0.475 -8.817 1.00 31.12 C ATOM 1000 CG1 VAL A 65 -8.177 -1.860 -9.153 1.00 45.12 C ATOM 1001 CG2 VAL A 65 -8.176 0.023 -7.482 1.00 30.31 C ATOM 0 H VAL A 65 -6.246 1.550 -8.280 1.00 5.04 H new ATOM 0 HA VAL A 65 -5.730 -1.222 -8.071 1.00 3.33 H new ATOM 0 HB VAL A 65 -7.944 0.212 -9.600 1.00 31.12 H new ATOM 0 HG11 VAL A 65 -9.266 -1.823 -9.160 1.00 45.12 H new ATOM 0 HG12 VAL A 65 -7.818 -2.168 -10.135 1.00 45.12 H new ATOM 0 HG13 VAL A 65 -7.843 -2.577 -8.403 1.00 45.12 H new ATOM 0 HG21 VAL A 65 -9.265 0.021 -7.517 1.00 30.31 H new ATOM 0 HG22 VAL A 65 -7.837 -0.633 -6.680 1.00 30.31 H new ATOM 0 HG23 VAL A 65 -7.821 1.036 -7.296 1.00 30.31 H new ATOM 1011 N LYS A 66 -5.327 0.116 -11.050 1.00 54.24 N ATOM 1012 CA LYS A 66 -4.785 -0.128 -12.392 1.00 65.31 C ATOM 1013 C LYS A 66 -3.303 -0.537 -12.333 1.00 51.23 C ATOM 1014 O LYS A 66 -2.854 -1.395 -13.095 1.00 41.25 O ATOM 1015 CB LYS A 66 -4.955 1.118 -13.270 1.00 23.35 C ATOM 1016 CG LYS A 66 -6.409 1.535 -13.458 1.00 21.45 C ATOM 1017 CD LYS A 66 -6.541 2.813 -14.279 1.00 23.41 C ATOM 1018 CE LYS A 66 -7.992 3.261 -14.387 1.00 22.44 C ATOM 1019 NZ LYS A 66 -8.850 2.241 -15.048 1.00 3.23 N ATOM 0 H LYS A 66 -5.520 1.097 -10.847 1.00 54.24 H new ATOM 0 HA LYS A 66 -5.344 -0.953 -12.832 1.00 65.31 H new ATOM 0 HB2 LYS A 66 -4.403 1.945 -12.824 1.00 23.35 H new ATOM 0 HB3 LYS A 66 -4.511 0.928 -14.247 1.00 23.35 H new ATOM 0 HG2 LYS A 66 -6.955 0.731 -13.951 1.00 21.45 H new ATOM 0 HG3 LYS A 66 -6.872 1.683 -12.482 1.00 21.45 H new ATOM 0 HD2 LYS A 66 -5.948 3.604 -13.820 1.00 23.41 H new ATOM 0 HD3 LYS A 66 -6.135 2.649 -15.277 1.00 23.41 H new ATOM 0 HE2 LYS A 66 -8.381 3.469 -13.390 1.00 22.44 H new ATOM 0 HE3 LYS A 66 -8.041 4.194 -14.949 1.00 22.44 H new ATOM 0 HZ1 LYS A 66 -9.783 2.652 -15.252 1.00 3.23 H new ATOM 0 HZ2 LYS A 66 -8.404 1.936 -15.937 1.00 3.23 H new ATOM 0 HZ3 LYS A 66 -8.963 1.421 -14.418 1.00 3.23 H new ATOM 1033 N MET A 67 -2.556 0.079 -11.414 1.00 74.43 N ATOM 1034 CA MET A 67 -1.128 -0.223 -11.231 1.00 45.10 C ATOM 1035 C MET A 67 -0.892 -1.700 -10.852 1.00 63.42 C ATOM 1036 O MET A 67 0.109 -2.302 -11.250 1.00 52.24 O ATOM 1037 CB MET A 67 -0.528 0.697 -10.161 1.00 13.34 C ATOM 1038 CG MET A 67 -0.507 2.165 -10.562 1.00 52.44 C ATOM 1039 SD MET A 67 0.552 2.468 -11.989 1.00 45.34 S ATOM 1040 CE MET A 67 0.280 4.218 -12.256 1.00 35.13 C ATOM 0 H MET A 67 -2.915 0.793 -10.781 1.00 74.43 H new ATOM 0 HA MET A 67 -0.631 -0.046 -12.185 1.00 45.10 H new ATOM 0 HB2 MET A 67 -1.099 0.589 -9.239 1.00 13.34 H new ATOM 0 HB3 MET A 67 0.490 0.373 -9.945 1.00 13.34 H new ATOM 0 HG2 MET A 67 -1.522 2.492 -10.789 1.00 52.44 H new ATOM 0 HG3 MET A 67 -0.160 2.764 -9.721 1.00 52.44 H new ATOM 0 HE1 MET A 67 0.871 4.552 -13.109 1.00 35.13 H new ATOM 0 HE2 MET A 67 -0.777 4.396 -12.454 1.00 35.13 H new ATOM 0 HE3 MET A 67 0.581 4.773 -11.367 1.00 35.13 H new ATOM 1050 N GLY A 68 -1.814 -2.265 -10.075 1.00 13.35 N ATOM 1051 CA GLY A 68 -1.744 -3.680 -9.723 1.00 51.32 C ATOM 1052 C GLY A 68 -0.617 -4.022 -8.747 1.00 31.15 C ATOM 1053 O GLY A 68 -0.582 -3.514 -7.625 1.00 21.02 O ATOM 0 H GLY A 68 -2.613 -1.768 -9.680 1.00 13.35 H new ATOM 0 HA2 GLY A 68 -2.695 -3.983 -9.285 1.00 51.32 H new ATOM 0 HA3 GLY A 68 -1.612 -4.265 -10.634 1.00 51.32 H new ATOM 1057 N TRP A 69 0.302 -4.886 -9.175 1.00 54.21 N ATOM 1058 CA TRP A 69 1.379 -5.374 -8.305 1.00 5.51 C ATOM 1059 C TRP A 69 2.673 -4.554 -8.466 1.00 10.22 C ATOM 1060 O TRP A 69 3.066 -4.204 -9.582 1.00 62.32 O ATOM 1061 CB TRP A 69 1.687 -6.846 -8.617 1.00 3.33 C ATOM 1062 CG TRP A 69 0.518 -7.775 -8.457 1.00 21.42 C ATOM 1063 CD1 TRP A 69 -0.488 -7.995 -9.358 1.00 13.35 C ATOM 1064 CD2 TRP A 69 0.250 -8.632 -7.340 1.00 31.32 C ATOM 1065 NE1 TRP A 69 -1.367 -8.930 -8.863 1.00 3.14 N ATOM 1066 CE2 TRP A 69 -0.936 -9.333 -7.625 1.00 64.33 C ATOM 1067 CE3 TRP A 69 0.894 -8.865 -6.126 1.00 74.05 C ATOM 1068 CZ2 TRP A 69 -1.486 -10.259 -6.740 1.00 61.43 C ATOM 1069 CZ3 TRP A 69 0.349 -9.781 -5.248 1.00 53.34 C ATOM 1070 CH2 TRP A 69 -0.832 -10.465 -5.556 1.00 33.32 C ATOM 0 H TRP A 69 0.325 -5.265 -10.122 1.00 54.21 H new ATOM 0 HA TRP A 69 1.029 -5.267 -7.278 1.00 5.51 H new ATOM 0 HB2 TRP A 69 2.054 -6.918 -9.641 1.00 3.33 H new ATOM 0 HB3 TRP A 69 2.493 -7.181 -7.965 1.00 3.33 H new ATOM 0 HD1 TRP A 69 -0.579 -7.506 -10.317 1.00 13.35 H new ATOM 0 HE1 TRP A 69 -2.203 -9.268 -9.339 1.00 3.14 H new ATOM 0 HE3 TRP A 69 1.803 -8.338 -5.876 1.00 74.05 H new ATOM 0 HZ2 TRP A 69 -2.393 -10.793 -6.980 1.00 61.43 H new ATOM 0 HZ3 TRP A 69 0.843 -9.973 -4.307 1.00 53.34 H new ATOM 0 HH2 TRP A 69 -1.236 -11.170 -4.845 1.00 33.32 H new ATOM 1081 N LYS A 70 3.334 -4.273 -7.345 1.00 14.45 N ATOM 1082 CA LYS A 70 4.638 -3.591 -7.337 1.00 4.44 C ATOM 1083 C LYS A 70 5.632 -4.352 -6.438 1.00 0.51 C ATOM 1084 O LYS A 70 5.226 -5.010 -5.476 1.00 2.42 O ATOM 1085 CB LYS A 70 4.477 -2.144 -6.842 1.00 63.35 C ATOM 1086 CG LYS A 70 3.578 -1.273 -7.718 1.00 24.33 C ATOM 1087 CD LYS A 70 4.111 -1.157 -9.149 1.00 41.53 C ATOM 1088 CE LYS A 70 3.248 -0.236 -10.006 1.00 63.43 C ATOM 1089 NZ LYS A 70 3.727 -0.176 -11.413 1.00 52.00 N ATOM 0 H LYS A 70 2.986 -4.509 -6.415 1.00 14.45 H new ATOM 0 HA LYS A 70 5.029 -3.573 -8.354 1.00 4.44 H new ATOM 0 HB2 LYS A 70 4.071 -2.162 -5.831 1.00 63.35 H new ATOM 0 HB3 LYS A 70 5.462 -1.682 -6.781 1.00 63.35 H new ATOM 0 HG2 LYS A 70 2.573 -1.695 -7.738 1.00 24.33 H new ATOM 0 HG3 LYS A 70 3.498 -0.278 -7.279 1.00 24.33 H new ATOM 0 HD2 LYS A 70 5.133 -0.779 -9.126 1.00 41.53 H new ATOM 0 HD3 LYS A 70 4.148 -2.147 -9.604 1.00 41.53 H new ATOM 0 HE2 LYS A 70 2.216 -0.586 -9.989 1.00 63.43 H new ATOM 0 HE3 LYS A 70 3.252 0.767 -9.578 1.00 63.43 H new ATOM 0 HZ1 LYS A 70 3.114 0.460 -11.962 1.00 52.00 H new ATOM 0 HZ2 LYS A 70 4.703 0.182 -11.432 1.00 52.00 H new ATOM 0 HZ3 LYS A 70 3.699 -1.128 -11.830 1.00 52.00 H new ATOM 1103 N SER A 71 6.931 -4.263 -6.742 1.00 43.43 N ATOM 1104 CA SER A 71 7.946 -5.036 -5.992 1.00 45.02 C ATOM 1105 C SER A 71 9.384 -4.542 -6.225 1.00 34.04 C ATOM 1106 O SER A 71 10.346 -5.241 -5.892 1.00 44.23 O ATOM 1107 CB SER A 71 7.856 -6.526 -6.367 1.00 52.11 C ATOM 1108 OG SER A 71 8.023 -6.720 -7.766 1.00 3.42 O ATOM 0 H SER A 71 7.307 -3.677 -7.487 1.00 43.43 H new ATOM 0 HA SER A 71 7.723 -4.890 -4.935 1.00 45.02 H new ATOM 0 HB2 SER A 71 8.620 -7.085 -5.827 1.00 52.11 H new ATOM 0 HB3 SER A 71 6.890 -6.923 -6.056 1.00 52.11 H new ATOM 0 HG SER A 71 7.963 -7.676 -7.973 1.00 3.42 H new ATOM 1114 N LYS A 72 9.542 -3.338 -6.773 1.00 64.25 N ATOM 1115 CA LYS A 72 10.878 -2.787 -7.056 1.00 33.41 C ATOM 1116 C LYS A 72 11.100 -1.429 -6.370 1.00 2.54 C ATOM 1117 O LYS A 72 10.162 -0.657 -6.162 1.00 33.43 O ATOM 1118 CB LYS A 72 11.088 -2.638 -8.577 1.00 54.50 C ATOM 1119 CG LYS A 72 11.164 -3.959 -9.354 1.00 2.23 C ATOM 1120 CD LYS A 72 12.533 -4.645 -9.232 1.00 24.22 C ATOM 1121 CE LYS A 72 12.739 -5.326 -7.882 1.00 3.23 C ATOM 1122 NZ LYS A 72 14.082 -5.958 -7.771 1.00 35.15 N ATOM 0 H LYS A 72 8.770 -2.724 -7.031 1.00 64.25 H new ATOM 0 HA LYS A 72 11.606 -3.491 -6.652 1.00 33.41 H new ATOM 0 HB2 LYS A 72 10.272 -2.041 -8.984 1.00 54.50 H new ATOM 0 HB3 LYS A 72 12.008 -2.080 -8.748 1.00 54.50 H new ATOM 0 HG2 LYS A 72 10.391 -4.635 -8.989 1.00 2.23 H new ATOM 0 HG3 LYS A 72 10.951 -3.769 -10.406 1.00 2.23 H new ATOM 0 HD2 LYS A 72 12.635 -5.385 -10.026 1.00 24.22 H new ATOM 0 HD3 LYS A 72 13.319 -3.905 -9.384 1.00 24.22 H new ATOM 0 HE2 LYS A 72 12.617 -4.593 -7.085 1.00 3.23 H new ATOM 0 HE3 LYS A 72 11.969 -6.084 -7.738 1.00 3.23 H new ATOM 0 HZ1 LYS A 72 14.315 -6.105 -6.768 1.00 35.15 H new ATOM 0 HZ2 LYS A 72 14.076 -6.874 -8.263 1.00 35.15 H new ATOM 0 HZ3 LYS A 72 14.795 -5.337 -8.205 1.00 35.15 H new ATOM 1136 N ALA A 73 12.355 -1.148 -6.022 1.00 61.32 N ATOM 1137 CA ALA A 73 12.732 0.139 -5.439 1.00 62.03 C ATOM 1138 C ALA A 73 12.463 1.281 -6.431 1.00 2.24 C ATOM 1139 O ALA A 73 13.142 1.404 -7.455 1.00 0.44 O ATOM 1140 CB ALA A 73 14.198 0.120 -5.022 1.00 23.23 C ATOM 0 H ALA A 73 13.132 -1.799 -6.135 1.00 61.32 H new ATOM 0 HA ALA A 73 12.123 0.311 -4.551 1.00 62.03 H new ATOM 0 HB1 ALA A 73 14.466 1.084 -4.590 1.00 23.23 H new ATOM 0 HB2 ALA A 73 14.356 -0.666 -4.283 1.00 23.23 H new ATOM 0 HB3 ALA A 73 14.822 -0.072 -5.895 1.00 23.23 H new ATOM 1146 N GLY A 74 11.460 2.095 -6.130 1.00 43.51 N ATOM 1147 CA GLY A 74 11.051 3.163 -7.033 1.00 41.35 C ATOM 1148 C GLY A 74 9.566 3.108 -7.366 1.00 75.22 C ATOM 1149 O GLY A 74 8.987 4.096 -7.825 1.00 14.22 O ATOM 0 H GLY A 74 10.915 2.037 -5.269 1.00 43.51 H new ATOM 0 HA2 GLY A 74 11.283 4.127 -6.580 1.00 41.35 H new ATOM 0 HA3 GLY A 74 11.629 3.097 -7.954 1.00 41.35 H new ATOM 1153 N ASP A 75 8.947 1.947 -7.144 1.00 24.04 N ATOM 1154 CA ASP A 75 7.511 1.773 -7.385 1.00 42.03 C ATOM 1155 C ASP A 75 6.673 2.558 -6.358 1.00 22.43 C ATOM 1156 O ASP A 75 6.716 2.273 -5.157 1.00 72.04 O ATOM 1157 CB ASP A 75 7.136 0.285 -7.335 1.00 34.14 C ATOM 1158 CG ASP A 75 7.767 -0.542 -8.445 1.00 3.25 C ATOM 1159 OD1 ASP A 75 8.246 0.042 -9.444 1.00 0.32 O ATOM 1160 OD2 ASP A 75 7.770 -1.787 -8.335 1.00 21.12 O ATOM 0 H ASP A 75 9.418 1.111 -6.797 1.00 24.04 H new ATOM 0 HA ASP A 75 7.291 2.165 -8.378 1.00 42.03 H new ATOM 0 HB2 ASP A 75 7.439 -0.125 -6.371 1.00 34.14 H new ATOM 0 HB3 ASP A 75 6.052 0.190 -7.395 1.00 34.14 H new ATOM 1165 N THR A 76 5.925 3.554 -6.832 1.00 41.05 N ATOM 1166 CA THR A 76 5.065 4.368 -5.959 1.00 31.43 C ATOM 1167 C THR A 76 3.588 4.261 -6.367 1.00 24.32 C ATOM 1168 O THR A 76 3.265 4.055 -7.537 1.00 42.00 O ATOM 1169 CB THR A 76 5.475 5.863 -5.972 1.00 60.25 C ATOM 1170 OG1 THR A 76 5.362 6.393 -7.300 1.00 23.12 O ATOM 1171 CG2 THR A 76 6.904 6.049 -5.467 1.00 32.02 C ATOM 0 H THR A 76 5.894 3.820 -7.816 1.00 41.05 H new ATOM 0 HA THR A 76 5.196 3.972 -4.952 1.00 31.43 H new ATOM 0 HB THR A 76 4.801 6.401 -5.305 1.00 60.25 H new ATOM 0 HG1 THR A 76 5.621 7.338 -7.298 1.00 23.12 H new ATOM 0 HG21 THR A 76 7.162 7.108 -5.488 1.00 32.02 H new ATOM 0 HG22 THR A 76 6.980 5.677 -4.445 1.00 32.02 H new ATOM 0 HG23 THR A 76 7.591 5.495 -6.107 1.00 32.02 H new ATOM 1179 N ILE A 77 2.696 4.391 -5.386 1.00 10.33 N ATOM 1180 CA ILE A 77 1.246 4.363 -5.621 1.00 23.32 C ATOM 1181 C ILE A 77 0.582 5.623 -5.039 1.00 50.23 C ATOM 1182 O ILE A 77 0.606 5.841 -3.826 1.00 74.23 O ATOM 1183 CB ILE A 77 0.591 3.107 -4.980 1.00 22.22 C ATOM 1184 CG1 ILE A 77 1.234 1.811 -5.511 1.00 62.44 C ATOM 1185 CG2 ILE A 77 -0.917 3.100 -5.237 1.00 44.12 C ATOM 1186 CD1 ILE A 77 1.050 1.589 -6.998 1.00 24.04 C ATOM 0 H ILE A 77 2.953 4.519 -4.407 1.00 10.33 H new ATOM 0 HA ILE A 77 1.094 4.329 -6.700 1.00 23.32 H new ATOM 0 HB ILE A 77 0.762 3.151 -3.904 1.00 22.22 H new ATOM 0 HG12 ILE A 77 2.301 1.830 -5.287 1.00 62.44 H new ATOM 0 HG13 ILE A 77 0.811 0.962 -4.973 1.00 62.44 H new ATOM 0 HG21 ILE A 77 -1.360 2.214 -4.782 1.00 44.12 H new ATOM 0 HG22 ILE A 77 -1.364 3.994 -4.802 1.00 44.12 H new ATOM 0 HG23 ILE A 77 -1.103 3.087 -6.311 1.00 44.12 H new ATOM 0 HD11 ILE A 77 1.532 0.656 -7.289 1.00 24.04 H new ATOM 0 HD12 ILE A 77 -0.014 1.535 -7.229 1.00 24.04 H new ATOM 0 HD13 ILE A 77 1.499 2.416 -7.548 1.00 24.04 H new ATOM 1198 N VAL A 78 -0.001 6.453 -5.902 1.00 33.44 N ATOM 1199 CA VAL A 78 -0.642 7.700 -5.463 1.00 42.35 C ATOM 1200 C VAL A 78 -2.178 7.622 -5.570 1.00 14.41 C ATOM 1201 O VAL A 78 -2.729 7.463 -6.662 1.00 24.32 O ATOM 1202 CB VAL A 78 -0.144 8.911 -6.294 1.00 31.20 C ATOM 1203 CG1 VAL A 78 -0.732 10.215 -5.758 1.00 24.02 C ATOM 1204 CG2 VAL A 78 1.383 8.970 -6.312 1.00 22.31 C ATOM 0 H VAL A 78 -0.045 6.289 -6.908 1.00 33.44 H new ATOM 0 HA VAL A 78 -0.366 7.837 -4.418 1.00 42.35 H new ATOM 0 HB VAL A 78 -0.488 8.780 -7.320 1.00 31.20 H new ATOM 0 HG11 VAL A 78 -0.369 11.051 -6.356 1.00 24.02 H new ATOM 0 HG12 VAL A 78 -1.820 10.174 -5.814 1.00 24.02 H new ATOM 0 HG13 VAL A 78 -0.427 10.352 -4.720 1.00 24.02 H new ATOM 0 HG21 VAL A 78 1.707 9.828 -6.901 1.00 22.31 H new ATOM 0 HG22 VAL A 78 1.755 9.069 -5.292 1.00 22.31 H new ATOM 0 HG23 VAL A 78 1.777 8.056 -6.755 1.00 22.31 H new ATOM 1214 N CYS A 79 -2.861 7.738 -4.432 1.00 72.24 N ATOM 1215 CA CYS A 79 -4.331 7.761 -4.398 1.00 12.03 C ATOM 1216 C CYS A 79 -4.847 9.064 -3.769 1.00 72.11 C ATOM 1217 O CYS A 79 -5.136 9.122 -2.573 1.00 0.10 O ATOM 1218 CB CYS A 79 -4.874 6.553 -3.622 1.00 73.14 C ATOM 1219 SG CYS A 79 -4.466 4.953 -4.362 1.00 55.43 S ATOM 0 H CYS A 79 -2.422 7.818 -3.515 1.00 72.24 H new ATOM 0 HA CYS A 79 -4.688 7.708 -5.426 1.00 12.03 H new ATOM 0 HB2 CYS A 79 -4.481 6.582 -2.606 1.00 73.14 H new ATOM 0 HB3 CYS A 79 -5.958 6.641 -3.547 1.00 73.14 H new ATOM 0 HG CYS A 79 -4.965 3.998 -3.634 1.00 55.43 H new ATOM 1225 N LEU A 80 -4.954 10.112 -4.591 1.00 51.54 N ATOM 1226 CA LEU A 80 -5.367 11.447 -4.122 1.00 63.41 C ATOM 1227 C LEU A 80 -6.755 11.451 -3.435 1.00 54.40 C ATOM 1228 O LEU A 80 -6.886 11.973 -2.330 1.00 53.11 O ATOM 1229 CB LEU A 80 -5.343 12.456 -5.284 1.00 62.01 C ATOM 1230 CG LEU A 80 -3.963 12.696 -5.926 1.00 25.04 C ATOM 1231 CD1 LEU A 80 -4.078 13.656 -7.107 1.00 20.30 C ATOM 1232 CD2 LEU A 80 -2.967 13.223 -4.890 1.00 51.40 C ATOM 0 H LEU A 80 -4.760 10.065 -5.591 1.00 51.54 H new ATOM 0 HA LEU A 80 -4.643 11.745 -3.363 1.00 63.41 H new ATOM 0 HB2 LEU A 80 -6.029 12.109 -6.057 1.00 62.01 H new ATOM 0 HB3 LEU A 80 -5.727 13.410 -4.922 1.00 62.01 H new ATOM 0 HG LEU A 80 -3.589 11.742 -6.299 1.00 25.04 H new ATOM 0 HD11 LEU A 80 -3.093 13.812 -7.546 1.00 20.30 H new ATOM 0 HD12 LEU A 80 -4.746 13.232 -7.857 1.00 20.30 H new ATOM 0 HD13 LEU A 80 -4.477 14.610 -6.763 1.00 20.30 H new ATOM 0 HD21 LEU A 80 -2.000 13.385 -5.365 1.00 51.40 H new ATOM 0 HD22 LEU A 80 -3.332 14.165 -4.480 1.00 51.40 H new ATOM 0 HD23 LEU A 80 -2.859 12.495 -4.086 1.00 51.40 H new ATOM 1244 N PRO A 81 -7.811 10.862 -4.057 1.00 23.42 N ATOM 1245 CA PRO A 81 -9.166 10.835 -3.454 1.00 1.43 C ATOM 1246 C PRO A 81 -9.204 10.188 -2.053 1.00 63.11 C ATOM 1247 O PRO A 81 -10.168 10.355 -1.301 1.00 43.13 O ATOM 1248 CB PRO A 81 -9.983 9.996 -4.450 1.00 64.01 C ATOM 1249 CG PRO A 81 -9.253 10.128 -5.742 1.00 70.32 C ATOM 1250 CD PRO A 81 -7.796 10.201 -5.381 1.00 33.33 C ATOM 0 HA PRO A 81 -9.547 11.844 -3.298 1.00 1.43 H new ATOM 0 HB2 PRO A 81 -10.044 8.955 -4.134 1.00 64.01 H new ATOM 0 HB3 PRO A 81 -11.005 10.364 -4.533 1.00 64.01 H new ATOM 0 HG2 PRO A 81 -9.453 9.277 -6.393 1.00 70.32 H new ATOM 0 HG3 PRO A 81 -9.568 11.022 -6.280 1.00 70.32 H new ATOM 0 HD2 PRO A 81 -7.343 9.211 -5.332 1.00 33.33 H new ATOM 0 HD3 PRO A 81 -7.228 10.776 -6.112 1.00 33.33 H new ATOM 1258 N HIS A 82 -8.165 9.418 -1.721 1.00 43.43 N ATOM 1259 CA HIS A 82 -8.057 8.772 -0.404 1.00 65.14 C ATOM 1260 C HIS A 82 -6.886 9.357 0.410 1.00 32.42 C ATOM 1261 O HIS A 82 -6.698 9.013 1.577 1.00 42.45 O ATOM 1262 CB HIS A 82 -7.880 7.252 -0.574 1.00 41.50 C ATOM 1263 CG HIS A 82 -9.071 6.551 -1.170 1.00 14.01 C ATOM 1264 ND1 HIS A 82 -9.268 5.192 -1.076 1.00 73.11 N ATOM 1265 CD2 HIS A 82 -10.130 7.024 -1.872 1.00 25.21 C ATOM 1266 CE1 HIS A 82 -10.384 4.865 -1.687 1.00 70.52 C ATOM 1267 NE2 HIS A 82 -10.932 5.954 -2.177 1.00 61.23 N ATOM 0 H HIS A 82 -7.383 9.224 -2.346 1.00 43.43 H new ATOM 0 HA HIS A 82 -8.978 8.966 0.145 1.00 65.14 H new ATOM 0 HB2 HIS A 82 -7.011 7.068 -1.206 1.00 41.50 H new ATOM 0 HB3 HIS A 82 -7.664 6.812 0.400 1.00 41.50 H new ATOM 0 HD1 HIS A 82 -8.643 4.539 -0.604 1.00 73.11 H new ATOM 0 HD2 HIS A 82 -10.309 8.054 -2.142 1.00 25.21 H new ATOM 0 HE1 HIS A 82 -10.785 3.866 -1.772 1.00 70.52 H new ATOM 1276 N LYS A 83 -6.116 10.253 -0.220 1.00 50.11 N ATOM 1277 CA LYS A 83 -4.945 10.890 0.405 1.00 3.22 C ATOM 1278 C LYS A 83 -3.893 9.860 0.861 1.00 42.01 C ATOM 1279 O LYS A 83 -3.118 10.107 1.786 1.00 44.34 O ATOM 1280 CB LYS A 83 -5.388 11.780 1.578 1.00 61.33 C ATOM 1281 CG LYS A 83 -6.235 12.972 1.143 1.00 42.21 C ATOM 1282 CD LYS A 83 -6.638 13.853 2.322 1.00 14.54 C ATOM 1283 CE LYS A 83 -7.465 15.051 1.867 1.00 72.30 C ATOM 1284 NZ LYS A 83 -7.888 15.903 3.008 1.00 63.23 N ATOM 0 H LYS A 83 -6.286 10.558 -1.178 1.00 50.11 H new ATOM 0 HA LYS A 83 -4.467 11.513 -0.351 1.00 3.22 H new ATOM 0 HB2 LYS A 83 -5.956 11.178 2.287 1.00 61.33 H new ATOM 0 HB3 LYS A 83 -4.505 12.143 2.104 1.00 61.33 H new ATOM 0 HG2 LYS A 83 -5.677 13.568 0.420 1.00 42.21 H new ATOM 0 HG3 LYS A 83 -7.131 12.613 0.636 1.00 42.21 H new ATOM 0 HD2 LYS A 83 -7.211 13.264 3.038 1.00 14.54 H new ATOM 0 HD3 LYS A 83 -5.744 14.202 2.839 1.00 14.54 H new ATOM 0 HE2 LYS A 83 -6.882 15.648 1.166 1.00 72.30 H new ATOM 0 HE3 LYS A 83 -8.347 14.700 1.331 1.00 72.30 H new ATOM 0 HZ1 LYS A 83 -8.447 16.705 2.654 1.00 63.23 H new ATOM 0 HZ2 LYS A 83 -8.466 15.341 3.665 1.00 63.23 H new ATOM 0 HZ3 LYS A 83 -7.047 16.260 3.505 1.00 63.23 H new ATOM 1298 N VAL A 84 -3.851 8.717 0.180 1.00 11.40 N ATOM 1299 CA VAL A 84 -2.890 7.653 0.500 1.00 44.40 C ATOM 1300 C VAL A 84 -1.714 7.650 -0.489 1.00 3.11 C ATOM 1301 O VAL A 84 -1.905 7.740 -1.703 1.00 22.10 O ATOM 1302 CB VAL A 84 -3.568 6.257 0.498 1.00 25.44 C ATOM 1303 CG1 VAL A 84 -2.557 5.153 0.809 1.00 1.05 C ATOM 1304 CG2 VAL A 84 -4.729 6.223 1.492 1.00 72.22 C ATOM 0 H VAL A 84 -4.471 8.499 -0.600 1.00 11.40 H new ATOM 0 HA VAL A 84 -2.512 7.859 1.501 1.00 44.40 H new ATOM 0 HB VAL A 84 -3.964 6.076 -0.501 1.00 25.44 H new ATOM 0 HG11 VAL A 84 -3.060 4.186 0.801 1.00 1.05 H new ATOM 0 HG12 VAL A 84 -1.769 5.158 0.056 1.00 1.05 H new ATOM 0 HG13 VAL A 84 -2.120 5.326 1.792 1.00 1.05 H new ATOM 0 HG21 VAL A 84 -5.192 5.236 1.477 1.00 72.22 H new ATOM 0 HG22 VAL A 84 -4.356 6.433 2.494 1.00 72.22 H new ATOM 0 HG23 VAL A 84 -5.468 6.975 1.215 1.00 72.22 H new ATOM 1314 N PHE A 85 -0.500 7.549 0.045 1.00 52.53 N ATOM 1315 CA PHE A 85 0.715 7.512 -0.775 1.00 72.04 C ATOM 1316 C PHE A 85 1.621 6.348 -0.355 1.00 63.35 C ATOM 1317 O PHE A 85 2.010 6.243 0.806 1.00 1.03 O ATOM 1318 CB PHE A 85 1.480 8.842 -0.657 1.00 22.23 C ATOM 1319 CG PHE A 85 2.733 8.907 -1.505 1.00 24.43 C ATOM 1320 CD1 PHE A 85 3.960 8.488 -0.999 1.00 24.44 C ATOM 1321 CD2 PHE A 85 2.683 9.382 -2.809 1.00 71.31 C ATOM 1322 CE1 PHE A 85 5.102 8.544 -1.775 1.00 1.33 C ATOM 1323 CE2 PHE A 85 3.826 9.439 -3.587 1.00 12.04 C ATOM 1324 CZ PHE A 85 5.034 9.017 -3.070 1.00 73.40 C ATOM 0 H PHE A 85 -0.327 7.491 1.049 1.00 52.53 H new ATOM 0 HA PHE A 85 0.419 7.363 -1.813 1.00 72.04 H new ATOM 0 HB2 PHE A 85 0.817 9.658 -0.944 1.00 22.23 H new ATOM 0 HB3 PHE A 85 1.751 9.003 0.387 1.00 22.23 H new ATOM 0 HD1 PHE A 85 4.020 8.115 0.013 1.00 24.44 H new ATOM 0 HD2 PHE A 85 1.740 9.711 -3.221 1.00 71.31 H new ATOM 0 HE1 PHE A 85 6.048 8.218 -1.368 1.00 1.33 H new ATOM 0 HE2 PHE A 85 3.773 9.814 -4.599 1.00 12.04 H new ATOM 0 HZ PHE A 85 5.926 9.057 -3.678 1.00 73.40 H new ATOM 1334 N VAL A 86 1.951 5.476 -1.302 1.00 4.22 N ATOM 1335 CA VAL A 86 2.838 4.337 -1.034 1.00 41.14 C ATOM 1336 C VAL A 86 4.128 4.436 -1.863 1.00 74.10 C ATOM 1337 O VAL A 86 4.086 4.779 -3.042 1.00 73.10 O ATOM 1338 CB VAL A 86 2.135 2.991 -1.357 1.00 54.53 C ATOM 1339 CG1 VAL A 86 3.032 1.801 -1.007 1.00 53.00 C ATOM 1340 CG2 VAL A 86 0.792 2.894 -0.626 1.00 44.54 C ATOM 0 H VAL A 86 1.620 5.532 -2.265 1.00 4.22 H new ATOM 0 HA VAL A 86 3.086 4.368 0.027 1.00 41.14 H new ATOM 0 HB VAL A 86 1.945 2.960 -2.430 1.00 54.53 H new ATOM 0 HG11 VAL A 86 2.513 0.872 -1.244 1.00 53.00 H new ATOM 0 HG12 VAL A 86 3.955 1.859 -1.584 1.00 53.00 H new ATOM 0 HG13 VAL A 86 3.268 1.824 0.057 1.00 53.00 H new ATOM 0 HG21 VAL A 86 0.315 1.944 -0.866 1.00 44.54 H new ATOM 0 HG22 VAL A 86 0.958 2.956 0.450 1.00 44.54 H new ATOM 0 HG23 VAL A 86 0.146 3.714 -0.941 1.00 44.54 H new ATOM 1350 N GLU A 87 5.272 4.151 -1.246 1.00 0.53 N ATOM 1351 CA GLU A 87 6.548 4.117 -1.971 1.00 14.05 C ATOM 1352 C GLU A 87 7.393 2.905 -1.547 1.00 64.12 C ATOM 1353 O GLU A 87 7.544 2.617 -0.360 1.00 11.04 O ATOM 1354 CB GLU A 87 7.338 5.424 -1.766 1.00 73.41 C ATOM 1355 CG GLU A 87 7.726 5.711 -0.318 1.00 25.42 C ATOM 1356 CD GLU A 87 8.587 6.961 -0.174 1.00 1.30 C ATOM 1357 OE1 GLU A 87 9.790 6.903 -0.506 1.00 60.14 O ATOM 1358 OE2 GLU A 87 8.069 8.008 0.273 1.00 73.33 O ATOM 0 H GLU A 87 5.346 3.941 -0.251 1.00 0.53 H new ATOM 0 HA GLU A 87 6.321 4.020 -3.033 1.00 14.05 H new ATOM 0 HB2 GLU A 87 8.244 5.384 -2.370 1.00 73.41 H new ATOM 0 HB3 GLU A 87 6.742 6.256 -2.140 1.00 73.41 H new ATOM 0 HG2 GLU A 87 6.822 5.827 0.279 1.00 25.42 H new ATOM 0 HG3 GLU A 87 8.266 4.855 0.085 1.00 25.42 H new ATOM 1365 N ILE A 88 7.916 2.179 -2.531 1.00 43.30 N ATOM 1366 CA ILE A 88 8.776 1.023 -2.269 1.00 1.35 C ATOM 1367 C ILE A 88 10.260 1.390 -2.416 1.00 12.11 C ATOM 1368 O ILE A 88 10.678 1.926 -3.443 1.00 71.12 O ATOM 1369 CB ILE A 88 8.441 -0.150 -3.224 1.00 62.15 C ATOM 1370 CG1 ILE A 88 6.967 -0.558 -3.069 1.00 63.54 C ATOM 1371 CG2 ILE A 88 9.365 -1.341 -2.967 1.00 70.44 C ATOM 1372 CD1 ILE A 88 6.548 -1.693 -3.982 1.00 1.23 C ATOM 0 H ILE A 88 7.760 2.370 -3.521 1.00 43.30 H new ATOM 0 HA ILE A 88 8.588 0.710 -1.242 1.00 1.35 H new ATOM 0 HB ILE A 88 8.601 0.183 -4.250 1.00 62.15 H new ATOM 0 HG12 ILE A 88 6.787 -0.851 -2.035 1.00 63.54 H new ATOM 0 HG13 ILE A 88 6.337 0.309 -3.269 1.00 63.54 H new ATOM 0 HG21 ILE A 88 9.111 -2.152 -3.649 1.00 70.44 H new ATOM 0 HG22 ILE A 88 10.400 -1.040 -3.130 1.00 70.44 H new ATOM 0 HG23 ILE A 88 9.244 -1.680 -1.938 1.00 70.44 H new ATOM 0 HD11 ILE A 88 5.496 -1.925 -3.815 1.00 1.23 H new ATOM 0 HD12 ILE A 88 6.694 -1.397 -5.021 1.00 1.23 H new ATOM 0 HD13 ILE A 88 7.152 -2.575 -3.767 1.00 1.23 H new ATOM 1384 N LYS A 89 11.054 1.091 -1.391 1.00 60.43 N ATOM 1385 CA LYS A 89 12.488 1.412 -1.400 1.00 64.23 C ATOM 1386 C LYS A 89 13.347 0.171 -1.121 1.00 61.44 C ATOM 1387 O LYS A 89 12.872 -0.812 -0.551 1.00 53.41 O ATOM 1388 CB LYS A 89 12.800 2.490 -0.352 1.00 14.23 C ATOM 1389 CG LYS A 89 12.485 2.062 1.082 1.00 44.21 C ATOM 1390 CD LYS A 89 12.947 3.092 2.110 1.00 42.44 C ATOM 1391 CE LYS A 89 14.464 3.260 2.107 1.00 71.34 C ATOM 1392 NZ LYS A 89 15.178 2.011 2.494 1.00 23.25 N ATOM 0 H LYS A 89 10.733 0.627 -0.541 1.00 60.43 H new ATOM 0 HA LYS A 89 12.732 1.784 -2.395 1.00 64.23 H new ATOM 0 HB2 LYS A 89 13.855 2.755 -0.419 1.00 14.23 H new ATOM 0 HB3 LYS A 89 12.230 3.389 -0.587 1.00 14.23 H new ATOM 0 HG2 LYS A 89 11.411 1.906 1.185 1.00 44.21 H new ATOM 0 HG3 LYS A 89 12.967 1.106 1.287 1.00 44.21 H new ATOM 0 HD2 LYS A 89 12.475 4.052 1.899 1.00 42.44 H new ATOM 0 HD3 LYS A 89 12.618 2.786 3.103 1.00 42.44 H new ATOM 0 HE2 LYS A 89 14.790 3.568 1.114 1.00 71.34 H new ATOM 0 HE3 LYS A 89 14.739 4.060 2.795 1.00 71.34 H new ATOM 0 HZ1 LYS A 89 15.975 2.246 3.120 1.00 23.25 H new ATOM 0 HZ2 LYS A 89 14.522 1.376 2.992 1.00 23.25 H new ATOM 0 HZ3 LYS A 89 15.537 1.537 1.640 1.00 23.25 H new ATOM 1406 N SER A 90 14.617 0.234 -1.513 1.00 44.44 N ATOM 1407 CA SER A 90 15.568 -0.853 -1.238 1.00 30.03 C ATOM 1408 C SER A 90 16.085 -0.781 0.203 1.00 55.21 C ATOM 1409 O SER A 90 16.163 0.303 0.790 1.00 43.12 O ATOM 1410 CB SER A 90 16.762 -0.785 -2.203 1.00 55.34 C ATOM 1411 OG SER A 90 17.730 -1.782 -1.903 1.00 32.04 O ATOM 0 H SER A 90 15.016 1.023 -2.022 1.00 44.44 H new ATOM 0 HA SER A 90 15.038 -1.795 -1.380 1.00 30.03 H new ATOM 0 HB2 SER A 90 16.412 -0.913 -3.227 1.00 55.34 H new ATOM 0 HB3 SER A 90 17.223 0.201 -2.145 1.00 55.34 H new ATOM 0 HG SER A 90 18.476 -1.714 -2.535 1.00 32.04 H new ATOM 1417 N THR A 91 16.414 -1.937 0.778 1.00 12.41 N ATOM 1418 CA THR A 91 17.046 -1.986 2.108 1.00 1.15 C ATOM 1419 C THR A 91 18.500 -1.499 2.040 1.00 22.11 C ATOM 1420 O THR A 91 19.080 -1.095 3.051 1.00 20.24 O ATOM 1421 CB THR A 91 17.024 -3.408 2.718 1.00 23.32 C ATOM 1422 OG1 THR A 91 17.757 -4.327 1.890 1.00 61.44 O ATOM 1423 CG2 THR A 91 15.592 -3.904 2.895 1.00 23.20 C ATOM 0 H THR A 91 16.257 -2.850 0.352 1.00 12.41 H new ATOM 0 HA THR A 91 16.461 -1.327 2.749 1.00 1.15 H new ATOM 0 HB THR A 91 17.499 -3.356 3.697 1.00 23.32 H new ATOM 0 HG1 THR A 91 17.898 -5.165 2.377 1.00 61.44 H new ATOM 0 HG21 THR A 91 15.604 -4.905 3.325 1.00 23.20 H new ATOM 0 HG22 THR A 91 15.053 -3.230 3.561 1.00 23.20 H new ATOM 0 HG23 THR A 91 15.094 -3.932 1.926 1.00 23.20 H new ATOM 1431 N GLN A 92 19.079 -1.549 0.837 1.00 52.21 N ATOM 1432 CA GLN A 92 20.432 -1.032 0.589 1.00 34.33 C ATOM 1433 C GLN A 92 20.449 0.500 0.657 1.00 33.51 C ATOM 1434 O GLN A 92 19.397 1.139 0.710 1.00 11.41 O ATOM 1435 CB GLN A 92 20.913 -1.469 -0.806 1.00 12.25 C ATOM 1436 CG GLN A 92 20.888 -2.974 -1.046 1.00 42.22 C ATOM 1437 CD GLN A 92 21.876 -3.732 -0.180 1.00 32.11 C ATOM 1438 OE1 GLN A 92 21.554 -4.173 0.916 1.00 15.31 O ATOM 1439 NE2 GLN A 92 23.090 -3.880 -0.663 1.00 20.25 N ATOM 0 H GLN A 92 18.629 -1.945 0.012 1.00 52.21 H new ATOM 0 HA GLN A 92 21.093 -1.434 1.357 1.00 34.33 H new ATOM 0 HB2 GLN A 92 20.290 -0.985 -1.558 1.00 12.25 H new ATOM 0 HB3 GLN A 92 21.931 -1.108 -0.954 1.00 12.25 H new ATOM 0 HG2 GLN A 92 19.883 -3.350 -0.854 1.00 42.22 H new ATOM 0 HG3 GLN A 92 21.107 -3.172 -2.095 1.00 42.22 H new ATOM 0 HE21 GLN A 92 23.324 -3.500 -1.580 1.00 20.25 H new ATOM 0 HE22 GLN A 92 23.798 -4.375 -0.121 1.00 20.25 H new ATOM 1448 N LYS A 93 21.641 1.097 0.655 1.00 61.31 N ATOM 1449 CA LYS A 93 21.752 2.556 0.540 1.00 30.44 C ATOM 1450 C LYS A 93 21.243 3.004 -0.848 1.00 73.44 C ATOM 1451 O LYS A 93 21.885 2.778 -1.878 1.00 51.42 O ATOM 1452 CB LYS A 93 23.200 3.045 0.806 1.00 22.35 C ATOM 1453 CG LYS A 93 24.245 2.683 -0.257 1.00 33.22 C ATOM 1454 CD LYS A 93 24.577 1.190 -0.290 1.00 2.01 C ATOM 1455 CE LYS A 93 25.686 0.883 -1.294 1.00 41.11 C ATOM 1456 NZ LYS A 93 26.040 -0.558 -1.313 1.00 14.03 N ATOM 0 H LYS A 93 22.531 0.605 0.730 1.00 61.31 H new ATOM 0 HA LYS A 93 21.128 3.015 1.306 1.00 30.44 H new ATOM 0 HB2 LYS A 93 23.181 4.130 0.912 1.00 22.35 H new ATOM 0 HB3 LYS A 93 23.529 2.637 1.762 1.00 22.35 H new ATOM 0 HG2 LYS A 93 23.879 2.989 -1.237 1.00 33.22 H new ATOM 0 HG3 LYS A 93 25.158 3.248 -0.067 1.00 33.22 H new ATOM 0 HD2 LYS A 93 24.884 0.863 0.703 1.00 2.01 H new ATOM 0 HD3 LYS A 93 23.683 0.623 -0.550 1.00 2.01 H new ATOM 0 HE2 LYS A 93 25.368 1.191 -2.290 1.00 41.11 H new ATOM 0 HE3 LYS A 93 26.571 1.470 -1.047 1.00 41.11 H new ATOM 0 HZ1 LYS A 93 26.796 -0.721 -2.008 1.00 14.03 H new ATOM 0 HZ2 LYS A 93 26.369 -0.847 -0.370 1.00 14.03 H new ATOM 0 HZ3 LYS A 93 25.203 -1.118 -1.575 1.00 14.03 H new ATOM 1470 N ASP A 94 20.055 3.602 -0.871 1.00 55.41 N ATOM 1471 CA ASP A 94 19.366 3.902 -2.128 1.00 44.24 C ATOM 1472 C ASP A 94 20.026 5.072 -2.883 1.00 65.53 C ATOM 1473 O ASP A 94 20.769 5.868 -2.302 1.00 54.32 O ATOM 1474 CB ASP A 94 17.885 4.192 -1.854 1.00 51.03 C ATOM 1475 CG ASP A 94 17.037 4.046 -3.103 1.00 1.21 C ATOM 1476 OD1 ASP A 94 16.884 5.040 -3.840 1.00 31.24 O ATOM 1477 OD2 ASP A 94 16.547 2.926 -3.367 1.00 32.11 O ATOM 0 H ASP A 94 19.547 3.889 -0.034 1.00 55.41 H new ATOM 0 HA ASP A 94 19.445 3.026 -2.772 1.00 44.24 H new ATOM 0 HB2 ASP A 94 17.518 3.512 -1.085 1.00 51.03 H new ATOM 0 HB3 ASP A 94 17.780 5.203 -1.461 1.00 51.03 H new ATOM 1482 N SER A 95 19.738 5.173 -4.180 1.00 1.31 N ATOM 1483 CA SER A 95 20.385 6.165 -5.053 1.00 73.32 C ATOM 1484 C SER A 95 19.578 7.464 -5.150 1.00 42.32 C ATOM 1485 O SER A 95 20.054 8.455 -5.711 1.00 32.12 O ATOM 1486 CB SER A 95 20.574 5.590 -6.462 1.00 33.44 C ATOM 1487 OG SER A 95 19.321 5.325 -7.077 1.00 41.12 O ATOM 0 H SER A 95 19.058 4.579 -4.656 1.00 1.31 H new ATOM 0 HA SER A 95 21.352 6.396 -4.607 1.00 73.32 H new ATOM 0 HB2 SER A 95 21.141 6.293 -7.072 1.00 33.44 H new ATOM 0 HB3 SER A 95 21.158 4.671 -6.408 1.00 33.44 H new ATOM 0 HG SER A 95 19.468 4.961 -7.975 1.00 41.12 H new ATOM 1493 N LYS A 96 18.355 7.459 -4.620 1.00 11.25 N ATOM 1494 CA LYS A 96 17.479 8.634 -4.693 1.00 1.22 C ATOM 1495 C LYS A 96 18.069 9.862 -3.986 1.00 74.30 C ATOM 1496 O LYS A 96 18.855 9.751 -3.042 1.00 71.43 O ATOM 1497 CB LYS A 96 16.078 8.321 -4.137 1.00 23.14 C ATOM 1498 CG LYS A 96 15.170 7.588 -5.125 1.00 60.11 C ATOM 1499 CD LYS A 96 15.053 8.343 -6.451 1.00 31.52 C ATOM 1500 CE LYS A 96 14.516 9.759 -6.264 1.00 12.23 C ATOM 1501 NZ LYS A 96 14.711 10.591 -7.482 1.00 40.03 N ATOM 0 H LYS A 96 17.947 6.659 -4.137 1.00 11.25 H new ATOM 0 HA LYS A 96 17.392 8.882 -5.751 1.00 1.22 H new ATOM 0 HB2 LYS A 96 16.182 7.716 -3.236 1.00 23.14 H new ATOM 0 HB3 LYS A 96 15.598 9.254 -3.841 1.00 23.14 H new ATOM 0 HG2 LYS A 96 15.564 6.588 -5.309 1.00 60.11 H new ATOM 0 HG3 LYS A 96 14.179 7.465 -4.687 1.00 60.11 H new ATOM 0 HD2 LYS A 96 16.032 8.388 -6.929 1.00 31.52 H new ATOM 0 HD3 LYS A 96 14.395 7.793 -7.123 1.00 31.52 H new ATOM 0 HE2 LYS A 96 13.455 9.716 -6.020 1.00 12.23 H new ATOM 0 HE3 LYS A 96 15.018 10.229 -5.419 1.00 12.23 H new ATOM 0 HZ1 LYS A 96 13.839 11.120 -7.685 1.00 40.03 H new ATOM 0 HZ2 LYS A 96 15.492 11.259 -7.324 1.00 40.03 H new ATOM 0 HZ3 LYS A 96 14.939 9.976 -8.289 1.00 40.03 H new ATOM 1515 N ASP A 97 17.661 11.034 -4.463 1.00 11.03 N ATOM 1516 CA ASP A 97 18.172 12.312 -3.973 1.00 41.14 C ATOM 1517 C ASP A 97 17.591 12.656 -2.587 1.00 53.03 C ATOM 1518 O ASP A 97 16.409 12.412 -2.327 1.00 4.01 O ATOM 1519 CB ASP A 97 17.810 13.412 -4.980 1.00 22.13 C ATOM 1520 CG ASP A 97 17.909 12.918 -6.415 1.00 3.23 C ATOM 1521 OD1 ASP A 97 16.899 12.374 -6.927 1.00 75.35 O ATOM 1522 OD2 ASP A 97 18.987 13.046 -7.029 1.00 22.01 O ATOM 0 H ASP A 97 16.965 11.126 -5.203 1.00 11.03 H new ATOM 0 HA ASP A 97 19.255 12.239 -3.869 1.00 41.14 H new ATOM 0 HB2 ASP A 97 16.797 13.764 -4.786 1.00 22.13 H new ATOM 0 HB3 ASP A 97 18.475 14.264 -4.842 1.00 22.13 H new ATOM 1527 N PRO A 98 18.414 13.218 -1.676 1.00 44.33 N ATOM 1528 CA PRO A 98 17.962 13.646 -0.339 1.00 64.33 C ATOM 1529 C PRO A 98 16.924 14.779 -0.396 1.00 75.23 C ATOM 1530 O PRO A 98 17.237 15.959 -0.196 1.00 51.42 O ATOM 1531 CB PRO A 98 19.255 14.112 0.352 1.00 64.12 C ATOM 1532 CG PRO A 98 20.347 13.477 -0.436 1.00 25.52 C ATOM 1533 CD PRO A 98 19.852 13.458 -1.854 1.00 11.25 C ATOM 0 HA PRO A 98 17.455 12.841 0.192 1.00 64.33 H new ATOM 0 HB2 PRO A 98 19.340 15.199 0.344 1.00 64.12 H new ATOM 0 HB3 PRO A 98 19.283 13.797 1.395 1.00 64.12 H new ATOM 0 HG2 PRO A 98 21.274 14.043 -0.351 1.00 25.52 H new ATOM 0 HG3 PRO A 98 20.555 12.469 -0.078 1.00 25.52 H new ATOM 0 HD2 PRO A 98 20.047 14.400 -2.366 1.00 11.25 H new ATOM 0 HD3 PRO A 98 20.327 12.672 -2.441 1.00 11.25 H new ATOM 1541 N ASP A 99 15.694 14.404 -0.702 1.00 43.54 N ATOM 1542 CA ASP A 99 14.578 15.352 -0.773 1.00 52.50 C ATOM 1543 C ASP A 99 14.090 15.762 0.627 1.00 1.33 C ATOM 1544 O ASP A 99 13.966 14.933 1.532 1.00 64.55 O ATOM 1545 CB ASP A 99 13.420 14.756 -1.585 1.00 12.03 C ATOM 1546 CG ASP A 99 12.219 15.690 -1.662 1.00 14.45 C ATOM 1547 OD1 ASP A 99 12.419 16.909 -1.861 1.00 25.01 O ATOM 1548 OD2 ASP A 99 11.074 15.216 -1.512 1.00 32.31 O ATOM 0 H ASP A 99 15.434 13.440 -0.909 1.00 43.54 H new ATOM 0 HA ASP A 99 14.941 16.249 -1.274 1.00 52.50 H new ATOM 0 HB2 ASP A 99 13.766 14.531 -2.594 1.00 12.03 H new ATOM 0 HB3 ASP A 99 13.113 13.812 -1.135 1.00 12.03 H new ATOM 1553 N THR A 100 13.840 17.054 0.789 1.00 31.15 N ATOM 1554 CA THR A 100 13.305 17.612 2.041 1.00 31.43 C ATOM 1555 C THR A 100 12.708 18.997 1.779 1.00 41.44 C ATOM 1556 O THR A 100 12.530 19.807 2.692 1.00 44.42 O ATOM 1557 CB THR A 100 14.402 17.723 3.136 1.00 64.23 C ATOM 1558 OG1 THR A 100 13.837 18.197 4.376 1.00 2.00 O ATOM 1559 CG2 THR A 100 15.533 18.654 2.697 1.00 1.10 C ATOM 0 H THR A 100 13.999 17.751 0.062 1.00 31.15 H new ATOM 0 HA THR A 100 12.532 16.933 2.402 1.00 31.43 H new ATOM 0 HB THR A 100 14.814 16.726 3.288 1.00 64.23 H new ATOM 0 HG1 THR A 100 13.270 18.977 4.200 1.00 2.00 H new ATOM 0 HG21 THR A 100 16.284 18.710 3.485 1.00 1.10 H new ATOM 0 HG22 THR A 100 15.990 18.267 1.786 1.00 1.10 H new ATOM 0 HG23 THR A 100 15.132 19.649 2.507 1.00 1.10 H new ATOM 1567 N ASP A 101 12.383 19.249 0.518 1.00 32.51 N ATOM 1568 CA ASP A 101 11.934 20.567 0.067 1.00 22.14 C ATOM 1569 C ASP A 101 10.409 20.602 -0.116 1.00 61.44 C ATOM 1570 O ASP A 101 9.864 19.913 -0.978 1.00 21.24 O ATOM 1571 CB ASP A 101 12.632 20.901 -1.254 1.00 71.25 C ATOM 1572 CG ASP A 101 14.133 20.691 -1.170 1.00 5.55 C ATOM 1573 OD1 ASP A 101 14.575 19.519 -1.156 1.00 62.43 O ATOM 1574 OD2 ASP A 101 14.882 21.687 -1.101 1.00 32.04 O ATOM 0 H ASP A 101 12.422 18.549 -0.223 1.00 32.51 H new ATOM 0 HA ASP A 101 12.192 21.308 0.824 1.00 22.14 H new ATOM 0 HB2 ASP A 101 12.222 20.278 -2.049 1.00 71.25 H new ATOM 0 HB3 ASP A 101 12.425 21.937 -1.522 1.00 71.25 H new ATOM 1579 N LEU A 102 9.730 21.405 0.698 1.00 63.11 N ATOM 1580 CA LEU A 102 8.265 21.500 0.644 1.00 44.44 C ATOM 1581 C LEU A 102 7.778 22.954 0.732 1.00 64.33 C ATOM 1582 O LEU A 102 8.556 23.870 1.011 1.00 13.21 O ATOM 1583 CB LEU A 102 7.635 20.638 1.760 1.00 42.13 C ATOM 1584 CG LEU A 102 8.234 20.794 3.180 1.00 61.03 C ATOM 1585 CD1 LEU A 102 7.877 22.143 3.805 1.00 50.12 C ATOM 1586 CD2 LEU A 102 7.778 19.647 4.083 1.00 64.31 C ATOM 0 H LEU A 102 10.165 22.000 1.403 1.00 63.11 H new ATOM 0 HA LEU A 102 7.942 21.116 -0.324 1.00 44.44 H new ATOM 0 HB2 LEU A 102 6.572 20.872 1.811 1.00 42.13 H new ATOM 0 HB3 LEU A 102 7.717 19.591 1.469 1.00 42.13 H new ATOM 0 HG LEU A 102 9.319 20.757 3.083 1.00 61.03 H new ATOM 0 HD11 LEU A 102 8.317 22.211 4.800 1.00 50.12 H new ATOM 0 HD12 LEU A 102 8.266 22.948 3.181 1.00 50.12 H new ATOM 0 HD13 LEU A 102 6.793 22.234 3.880 1.00 50.12 H new ATOM 0 HD21 LEU A 102 8.208 19.773 5.076 1.00 64.31 H new ATOM 0 HD22 LEU A 102 6.690 19.651 4.155 1.00 64.31 H new ATOM 0 HD23 LEU A 102 8.110 18.698 3.661 1.00 64.31 H new ATOM 1598 N ILE A 103 6.488 23.158 0.483 1.00 55.44 N ATOM 1599 CA ILE A 103 5.874 24.487 0.571 1.00 41.30 C ATOM 1600 C ILE A 103 5.036 24.617 1.854 1.00 20.25 C ATOM 1601 O ILE A 103 4.028 23.925 2.020 1.00 63.33 O ATOM 1602 CB ILE A 103 4.979 24.773 -0.664 1.00 31.03 C ATOM 1603 CG1 ILE A 103 5.807 24.661 -1.959 1.00 33.41 C ATOM 1604 CG2 ILE A 103 4.326 26.153 -0.554 1.00 45.04 C ATOM 1605 CD1 ILE A 103 5.001 24.881 -3.225 1.00 73.41 C ATOM 0 H ILE A 103 5.840 22.417 0.216 1.00 55.44 H new ATOM 0 HA ILE A 103 6.681 25.219 0.596 1.00 41.30 H new ATOM 0 HB ILE A 103 4.184 24.028 -0.696 1.00 31.03 H new ATOM 0 HG12 ILE A 103 6.617 25.389 -1.925 1.00 33.41 H new ATOM 0 HG13 ILE A 103 6.267 23.674 -2.000 1.00 33.41 H new ATOM 0 HG21 ILE A 103 3.703 26.332 -1.431 1.00 45.04 H new ATOM 0 HG22 ILE A 103 3.709 26.193 0.344 1.00 45.04 H new ATOM 0 HG23 ILE A 103 5.100 26.918 -0.497 1.00 45.04 H new ATOM 0 HD11 ILE A 103 5.654 24.786 -4.093 1.00 73.41 H new ATOM 0 HD12 ILE A 103 4.207 24.137 -3.285 1.00 73.41 H new ATOM 0 HD13 ILE A 103 4.562 25.879 -3.208 1.00 73.41 H new ATOM 1617 N VAL A 104 5.462 25.499 2.759 1.00 20.31 N ATOM 1618 CA VAL A 104 4.773 25.690 4.041 1.00 11.22 C ATOM 1619 C VAL A 104 3.340 26.239 3.845 1.00 54.21 C ATOM 1620 O VAL A 104 3.146 27.325 3.286 1.00 45.44 O ATOM 1621 CB VAL A 104 5.580 26.633 4.981 1.00 24.03 C ATOM 1622 CG1 VAL A 104 5.866 27.975 4.307 1.00 72.21 C ATOM 1623 CG2 VAL A 104 4.849 26.832 6.312 1.00 73.31 C ATOM 0 H VAL A 104 6.281 26.094 2.630 1.00 20.31 H new ATOM 0 HA VAL A 104 4.700 24.708 4.509 1.00 11.22 H new ATOM 0 HB VAL A 104 6.538 26.157 5.189 1.00 24.03 H new ATOM 0 HG11 VAL A 104 6.431 28.611 4.988 1.00 72.21 H new ATOM 0 HG12 VAL A 104 6.447 27.810 3.399 1.00 72.21 H new ATOM 0 HG13 VAL A 104 4.925 28.462 4.052 1.00 72.21 H new ATOM 0 HG21 VAL A 104 5.432 27.494 6.952 1.00 73.31 H new ATOM 0 HG22 VAL A 104 3.870 27.275 6.127 1.00 73.31 H new ATOM 0 HG23 VAL A 104 4.723 25.868 6.806 1.00 73.31 H new ATOM 1633 N PRO A 105 2.313 25.486 4.294 1.00 62.11 N ATOM 1634 CA PRO A 105 0.907 25.902 4.156 1.00 43.21 C ATOM 1635 C PRO A 105 0.538 27.063 5.095 1.00 33.42 C ATOM 1636 O PRO A 105 0.654 26.953 6.318 1.00 15.32 O ATOM 1637 CB PRO A 105 0.125 24.632 4.526 1.00 42.54 C ATOM 1638 CG PRO A 105 1.034 23.885 5.443 1.00 14.33 C ATOM 1639 CD PRO A 105 2.436 24.173 4.966 1.00 64.12 C ATOM 0 HA PRO A 105 0.689 26.277 3.156 1.00 43.21 H new ATOM 0 HB2 PRO A 105 -0.818 24.875 5.015 1.00 42.54 H new ATOM 0 HB3 PRO A 105 -0.117 24.043 3.641 1.00 42.54 H new ATOM 0 HG2 PRO A 105 0.899 24.209 6.475 1.00 14.33 H new ATOM 0 HG3 PRO A 105 0.824 22.816 5.414 1.00 14.33 H new ATOM 0 HD2 PRO A 105 3.142 24.212 5.796 1.00 64.12 H new ATOM 0 HD3 PRO A 105 2.792 23.404 4.281 1.00 64.12 H new ATOM 1647 N ASN A 106 0.098 28.178 4.517 1.00 25.30 N ATOM 1648 CA ASN A 106 -0.328 29.329 5.313 1.00 43.42 C ATOM 1649 C ASN A 106 -1.656 29.029 6.021 1.00 13.20 C ATOM 1650 O ASN A 106 -2.729 29.123 5.418 1.00 4.30 O ATOM 1651 CB ASN A 106 -0.466 30.581 4.436 1.00 72.42 C ATOM 1652 CG ASN A 106 -0.920 31.794 5.229 1.00 14.14 C ATOM 1653 OD1 ASN A 106 -0.110 32.552 5.756 1.00 52.30 O ATOM 1654 ND2 ASN A 106 -2.220 31.976 5.345 1.00 45.34 N ATOM 0 H ASN A 106 0.027 28.310 3.508 1.00 25.30 H new ATOM 0 HA ASN A 106 0.436 29.521 6.066 1.00 43.42 H new ATOM 0 HB2 ASN A 106 0.492 30.797 3.962 1.00 72.42 H new ATOM 0 HB3 ASN A 106 -1.180 30.385 3.636 1.00 72.42 H new ATOM 0 HD21 ASN A 106 -2.579 32.764 5.884 1.00 45.34 H new ATOM 0 HD22 ASN A 106 -2.868 31.329 4.895 1.00 45.34 H new ATOM 1661 N LEU A 107 -1.570 28.638 7.290 1.00 21.33 N ATOM 1662 CA LEU A 107 -2.760 28.348 8.096 1.00 24.01 C ATOM 1663 C LEU A 107 -3.708 29.559 8.158 1.00 4.03 C ATOM 1664 O LEU A 107 -3.271 30.706 8.288 1.00 51.22 O ATOM 1665 CB LEU A 107 -2.371 27.905 9.522 1.00 24.15 C ATOM 1666 CG LEU A 107 -1.759 28.986 10.441 1.00 10.55 C ATOM 1667 CD1 LEU A 107 -1.604 28.450 11.864 1.00 21.13 C ATOM 1668 CD2 LEU A 107 -0.413 29.477 9.910 1.00 71.54 C ATOM 0 H LEU A 107 -0.688 28.514 7.786 1.00 21.33 H new ATOM 0 HA LEU A 107 -3.287 27.528 7.608 1.00 24.01 H new ATOM 0 HB2 LEU A 107 -3.261 27.508 10.010 1.00 24.15 H new ATOM 0 HB3 LEU A 107 -1.659 27.084 9.441 1.00 24.15 H new ATOM 0 HG LEU A 107 -2.442 29.835 10.454 1.00 10.55 H new ATOM 0 HD11 LEU A 107 -1.172 29.223 12.499 1.00 21.13 H new ATOM 0 HD12 LEU A 107 -2.581 28.165 12.254 1.00 21.13 H new ATOM 0 HD13 LEU A 107 -0.948 27.579 11.855 1.00 21.13 H new ATOM 0 HD21 LEU A 107 -0.012 30.236 10.581 1.00 71.54 H new ATOM 0 HD22 LEU A 107 0.283 28.640 9.852 1.00 71.54 H new ATOM 0 HD23 LEU A 107 -0.548 29.906 8.917 1.00 71.54 H new ATOM 1680 N GLU A 108 -5.005 29.293 8.057 1.00 12.51 N ATOM 1681 CA GLU A 108 -6.019 30.348 8.087 1.00 31.42 C ATOM 1682 C GLU A 108 -6.141 30.970 9.489 1.00 74.30 C ATOM 1683 O GLU A 108 -6.053 30.269 10.500 1.00 42.20 O ATOM 1684 CB GLU A 108 -7.375 29.773 7.654 1.00 14.15 C ATOM 1685 CG GLU A 108 -8.518 30.787 7.672 1.00 72.22 C ATOM 1686 CD GLU A 108 -8.334 31.903 6.654 1.00 61.31 C ATOM 1687 OE1 GLU A 108 -8.802 31.744 5.505 1.00 73.44 O ATOM 1688 OE2 GLU A 108 -7.725 32.942 6.996 1.00 4.41 O ATOM 0 H GLU A 108 -5.384 28.352 7.953 1.00 12.51 H new ATOM 0 HA GLU A 108 -5.713 31.133 7.396 1.00 31.42 H new ATOM 0 HB2 GLU A 108 -7.280 29.367 6.647 1.00 14.15 H new ATOM 0 HB3 GLU A 108 -7.631 28.941 8.311 1.00 14.15 H new ATOM 0 HG2 GLU A 108 -9.458 30.272 7.473 1.00 72.22 H new ATOM 0 HG3 GLU A 108 -8.597 31.221 8.669 1.00 72.22 H new ATOM 1695 N HIS A 109 -6.362 32.283 9.542 1.00 51.02 N ATOM 1696 CA HIS A 109 -6.571 32.978 10.817 1.00 44.41 C ATOM 1697 C HIS A 109 -7.982 32.663 11.351 1.00 73.44 C ATOM 1698 O HIS A 109 -8.855 33.529 11.415 1.00 74.21 O ATOM 1699 CB HIS A 109 -6.372 34.494 10.633 1.00 34.31 C ATOM 1700 CG HIS A 109 -6.290 35.262 11.922 1.00 64.45 C ATOM 1701 ND1 HIS A 109 -5.112 35.449 12.608 1.00 63.21 N ATOM 1702 CD2 HIS A 109 -7.245 35.902 12.644 1.00 54.20 C ATOM 1703 CE1 HIS A 109 -5.343 36.163 13.691 1.00 30.03 C ATOM 1704 NE2 HIS A 109 -6.625 36.454 13.739 1.00 43.12 N ATOM 0 H HIS A 109 -6.401 32.887 8.721 1.00 51.02 H new ATOM 0 HA HIS A 109 -5.840 32.630 11.546 1.00 44.41 H new ATOM 0 HB2 HIS A 109 -5.459 34.663 10.063 1.00 34.31 H new ATOM 0 HB3 HIS A 109 -7.196 34.889 10.039 1.00 34.31 H new ATOM 0 HD2 HIS A 109 -8.296 35.965 12.403 1.00 54.20 H new ATOM 0 HE1 HIS A 109 -4.602 36.460 14.419 1.00 30.03 H new ATOM 0 HE2 HIS A 109 -7.083 37.000 14.469 1.00 43.12 H new ATOM 1713 N HIS A 110 -8.182 31.405 11.740 1.00 32.03 N ATOM 1714 CA HIS A 110 -9.515 30.881 12.065 1.00 14.31 C ATOM 1715 C HIS A 110 -9.967 31.230 13.492 1.00 44.45 C ATOM 1716 O HIS A 110 -11.099 30.936 13.874 1.00 63.44 O ATOM 1717 CB HIS A 110 -9.535 29.357 11.853 1.00 34.31 C ATOM 1718 CG HIS A 110 -8.437 28.629 12.571 1.00 33.31 C ATOM 1719 ND1 HIS A 110 -7.209 28.362 11.999 1.00 52.13 N ATOM 1720 CD2 HIS A 110 -8.380 28.109 13.821 1.00 63.10 C ATOM 1721 CE1 HIS A 110 -6.455 27.712 12.861 1.00 4.23 C ATOM 1722 NE2 HIS A 110 -7.138 27.548 13.972 1.00 75.41 N ATOM 0 H HIS A 110 -7.432 30.721 11.840 1.00 32.03 H new ATOM 0 HA HIS A 110 -10.225 31.362 11.392 1.00 14.31 H new ATOM 0 HB2 HIS A 110 -10.496 28.966 12.187 1.00 34.31 H new ATOM 0 HB3 HIS A 110 -9.459 29.147 10.786 1.00 34.31 H new ATOM 0 HD1 HIS A 110 -6.929 28.627 11.055 1.00 52.13 H new ATOM 0 HD2 HIS A 110 -9.167 28.132 14.561 1.00 63.10 H new ATOM 0 HE1 HIS A 110 -5.445 27.371 12.685 1.00 4.23 H new ATOM 1731 N HIS A 111 -9.091 31.845 14.284 1.00 60.35 N ATOM 1732 CA HIS A 111 -9.451 32.246 15.645 1.00 11.12 C ATOM 1733 C HIS A 111 -10.377 33.481 15.637 1.00 74.13 C ATOM 1734 O HIS A 111 -9.947 34.605 15.911 1.00 40.51 O ATOM 1735 CB HIS A 111 -8.186 32.520 16.478 1.00 10.30 C ATOM 1736 CG HIS A 111 -8.460 32.754 17.932 1.00 62.10 C ATOM 1737 ND1 HIS A 111 -8.650 31.730 18.831 1.00 52.22 N ATOM 1738 CD2 HIS A 111 -8.581 33.900 18.643 1.00 53.35 C ATOM 1739 CE1 HIS A 111 -8.877 32.232 20.027 1.00 21.21 C ATOM 1740 NE2 HIS A 111 -8.839 33.547 19.945 1.00 73.41 N ATOM 0 H HIS A 111 -8.135 32.075 14.012 1.00 60.35 H new ATOM 0 HA HIS A 111 -9.998 31.423 16.105 1.00 11.12 H new ATOM 0 HB2 HIS A 111 -7.506 31.674 16.377 1.00 10.30 H new ATOM 0 HB3 HIS A 111 -7.674 33.391 16.069 1.00 10.30 H new ATOM 0 HD2 HIS A 111 -8.491 34.905 18.258 1.00 53.35 H new ATOM 0 HE1 HIS A 111 -9.063 31.662 20.925 1.00 21.21 H new ATOM 0 HE2 HIS A 111 -8.978 34.195 20.720 1.00 73.41 H new ATOM 1749 N HIS A 112 -11.645 33.266 15.290 1.00 32.11 N ATOM 1750 CA HIS A 112 -12.638 34.347 15.261 1.00 43.15 C ATOM 1751 C HIS A 112 -13.418 34.402 16.580 1.00 55.31 C ATOM 1752 O HIS A 112 -13.834 33.367 17.108 1.00 73.22 O ATOM 1753 CB HIS A 112 -13.605 34.145 14.085 1.00 54.13 C ATOM 1754 CG HIS A 112 -14.552 35.291 13.873 1.00 32.14 C ATOM 1755 ND1 HIS A 112 -15.821 35.333 14.410 1.00 74.44 N ATOM 1756 CD2 HIS A 112 -14.411 36.444 13.173 1.00 14.10 C ATOM 1757 CE1 HIS A 112 -16.416 36.452 14.049 1.00 61.42 C ATOM 1758 NE2 HIS A 112 -15.584 37.141 13.301 1.00 1.01 N ATOM 0 H HIS A 112 -12.013 32.353 15.024 1.00 32.11 H new ATOM 0 HA HIS A 112 -12.113 35.293 15.131 1.00 43.15 H new ATOM 0 HB2 HIS A 112 -13.027 33.991 13.174 1.00 54.13 H new ATOM 0 HB3 HIS A 112 -14.182 33.236 14.254 1.00 54.13 H new ATOM 0 HD1 HIS A 112 -16.236 34.609 14.997 1.00 74.44 H new ATOM 0 HD2 HIS A 112 -13.538 36.755 12.619 1.00 14.10 H new ATOM 0 HE1 HIS A 112 -17.417 36.752 14.322 1.00 61.42 H new ATOM 1767 N HIS A 113 -13.610 35.604 17.116 1.00 14.12 N ATOM 1768 CA HIS A 113 -14.369 35.783 18.357 1.00 50.53 C ATOM 1769 C HIS A 113 -15.881 35.631 18.116 1.00 34.32 C ATOM 1770 O HIS A 113 -16.316 35.339 17.001 1.00 15.30 O ATOM 1771 CB HIS A 113 -14.057 37.151 18.974 1.00 2.43 C ATOM 1772 CG HIS A 113 -12.604 37.341 19.288 1.00 55.14 C ATOM 1773 ND1 HIS A 113 -11.872 38.418 18.843 1.00 65.53 N ATOM 1774 CD2 HIS A 113 -11.746 36.587 20.016 1.00 12.00 C ATOM 1775 CE1 HIS A 113 -10.633 38.321 19.276 1.00 40.02 C ATOM 1776 NE2 HIS A 113 -10.528 37.220 19.990 1.00 34.35 N ATOM 0 H HIS A 113 -13.252 36.470 16.713 1.00 14.12 H new ATOM 0 HA HIS A 113 -14.065 35.003 19.055 1.00 50.53 H new ATOM 0 HB2 HIS A 113 -14.379 37.934 18.287 1.00 2.43 H new ATOM 0 HB3 HIS A 113 -14.638 37.271 19.888 1.00 2.43 H new ATOM 0 HD2 HIS A 113 -11.977 35.661 20.522 1.00 12.00 H new ATOM 0 HE1 HIS A 113 -9.838 39.025 19.079 1.00 40.02 H new ATOM 0 HE2 HIS A 113 -9.679 36.891 20.450 1.00 34.35 H new ATOM 1785 N HIS A 114 -16.677 35.819 19.166 1.00 20.35 N ATOM 1786 CA HIS A 114 -18.137 35.661 19.070 1.00 34.40 C ATOM 1787 C HIS A 114 -18.885 36.937 19.502 1.00 63.32 C ATOM 1788 O HIS A 114 -18.869 37.270 20.709 1.00 37.68 O ATOM 1789 CB HIS A 114 -18.592 34.463 19.911 1.00 62.43 C ATOM 1790 CG HIS A 114 -17.997 33.167 19.454 1.00 44.54 C ATOM 1791 ND1 HIS A 114 -18.474 32.455 18.374 1.00 23.15 N ATOM 1792 CD2 HIS A 114 -16.944 32.463 19.927 1.00 3.54 C ATOM 1793 CE1 HIS A 114 -17.743 31.374 18.204 1.00 1.25 C ATOM 1794 NE2 HIS A 114 -16.809 31.355 19.129 1.00 23.14 N ATOM 1795 OXT HIS A 114 -19.499 37.591 18.630 1.00 37.68 O ATOM 0 H HIS A 114 -16.342 36.080 20.093 1.00 20.35 H new ATOM 0 HA HIS A 114 -18.383 35.481 18.023 1.00 34.40 H new ATOM 0 HB2 HIS A 114 -18.321 34.634 20.953 1.00 62.43 H new ATOM 0 HB3 HIS A 114 -19.679 34.391 19.872 1.00 62.43 H new ATOM 0 HD2 HIS A 114 -16.326 32.724 20.773 1.00 3.54 H new ATOM 0 HE1 HIS A 114 -17.886 30.629 17.435 1.00 1.25 H new ATOM 0 HE2 HIS A 114 -16.098 30.632 19.236 1.00 23.14 H new TER 1804 HIS A 114