USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 753 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 51 THR OG1 : rot 180:sc=-0.00863 USER MOD Set 1.2: A 82 GLN : amide:sc=-0.00876 X(o=-0.017,f=0) USER MOD Single : A 4 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.23) USER MOD Single : A 6 THR OG1 : rot -150:sc= -1.71 USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -0.0502 (180deg=-0.455) USER MOD Single : A 14 ASN : amide:sc= -3.24! C(o=-3.2!,f=-4.3!) USER MOD Single : A 16 GLN : amide:sc= -1.19! K(o=-1.2!,f=0) USER MOD Single : A 19 ASN : amide:sc= -5.96! C(o=-6!,f=-8.6!) USER MOD Single : A 21 LYS NZ :NH3+ -111:sc= -1.73 (180deg=-4.45!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -4.31! C(o=-4.3!,f=-2.3!) USER MOD Single : A 36 SER OG : rot 180:sc= -0.485 USER MOD Single : A 37 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.5!) USER MOD Single : A 45 THR OG1 : rot -85:sc= 0.707 USER MOD Single : A 49 LYS NZ :NH3+ -136:sc= -0.0745 (180deg=-0.909) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.53! C(o=-2.5!,f=-13!) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 66 SER OG : rot 90:sc= -0.433 USER MOD Single : A 67 TYR OH : rot 92:sc= 1.5 USER MOD Single : A 71 SER OG : rot 41:sc= -1.22! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -7.99! C(o=-8!,f=-23!) USER MOD Single : A 84 GLN : amide:sc= -1.36 K(o=-1.4,f=-4.3!) USER MOD Single : A 86 ASN : amide:sc= -2.59 K(o=-2.6,f=-1.9) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot -99:sc= -0.0836 USER MOD Single : A 90 SER OG : rot -158:sc= -0.0874 USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= -0.0731 (180deg=-0.607) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -8.504 11.277 -12.288 1.00 0.00 N ATOM 36 CA PRO A 3 -8.908 10.327 -11.208 1.00 0.00 C ATOM 37 C PRO A 3 -8.957 10.999 -9.830 1.00 0.00 C ATOM 38 O PRO A 3 -8.516 12.117 -9.655 1.00 0.00 O ATOM 39 CB PRO A 3 -7.826 9.236 -11.255 1.00 0.00 C ATOM 40 CG PRO A 3 -6.623 9.912 -11.828 1.00 0.00 C ATOM 41 CD PRO A 3 -7.158 10.962 -12.808 1.00 0.00 C ATOM 0 HA PRO A 3 -9.914 9.938 -11.363 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.621 8.840 -10.260 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.139 8.395 -11.874 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.026 10.378 -11.044 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.978 9.196 -12.337 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.522 11.847 -12.833 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.203 10.573 -13.825 1.00 0.00 H new ATOM 49 N GLN A 4 -9.494 10.320 -8.855 1.00 0.00 N ATOM 50 CA GLN A 4 -9.578 10.908 -7.491 1.00 0.00 C ATOM 51 C GLN A 4 -8.231 10.741 -6.781 1.00 0.00 C ATOM 52 O GLN A 4 -7.804 9.641 -6.484 1.00 0.00 O ATOM 53 CB GLN A 4 -10.675 10.182 -6.707 1.00 0.00 C ATOM 54 CG GLN A 4 -12.019 10.386 -7.411 1.00 0.00 C ATOM 55 CD GLN A 4 -12.398 11.869 -7.374 1.00 0.00 C ATOM 56 OE1 GLN A 4 -12.445 12.469 -6.318 1.00 0.00 O ATOM 57 NE2 GLN A 4 -12.667 12.490 -8.491 1.00 0.00 N ATOM 0 H GLN A 4 -9.879 9.380 -8.945 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.816 11.970 -7.555 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.445 9.119 -6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.724 10.565 -5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.956 10.042 -8.443 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.791 9.791 -6.923 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.627 11.986 -9.377 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.917 13.479 -8.477 1.00 0.00 H new ATOM 66 N LEU A 5 -7.555 11.828 -6.520 1.00 0.00 N ATOM 67 CA LEU A 5 -6.231 11.746 -5.841 1.00 0.00 C ATOM 68 C LEU A 5 -6.435 11.653 -4.331 1.00 0.00 C ATOM 69 O LEU A 5 -7.176 12.419 -3.744 1.00 0.00 O ATOM 70 CB LEU A 5 -5.427 13.007 -6.162 1.00 0.00 C ATOM 71 CG LEU A 5 -5.282 13.156 -7.681 1.00 0.00 C ATOM 72 CD1 LEU A 5 -4.534 14.455 -7.994 1.00 0.00 C ATOM 73 CD2 LEU A 5 -4.507 11.957 -8.256 1.00 0.00 C ATOM 0 H LEU A 5 -7.865 12.772 -6.749 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.696 10.863 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.926 13.883 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.443 12.950 -5.697 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.272 13.187 -8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.429 14.564 -9.074 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.094 15.302 -7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.546 14.426 -7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.409 12.071 -9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.516 11.914 -7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.047 11.036 -8.036 1.00 0.00 H new ATOM 85 N THR A 6 -5.775 10.716 -3.697 1.00 0.00 N ATOM 86 CA THR A 6 -5.906 10.545 -2.218 1.00 0.00 C ATOM 87 C THR A 6 -4.534 10.743 -1.575 1.00 0.00 C ATOM 88 O THR A 6 -3.540 10.200 -2.018 1.00 0.00 O ATOM 89 CB THR A 6 -6.426 9.140 -1.911 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.702 8.974 -2.514 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.554 8.963 -0.400 1.00 0.00 C ATOM 0 H THR A 6 -5.143 10.054 -4.148 1.00 0.00 H new ATOM 0 HA THR A 6 -6.607 11.278 -1.818 1.00 0.00 H new ATOM 0 HB THR A 6 -5.732 8.398 -2.305 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.236 8.348 -1.982 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.925 7.962 -0.181 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.578 9.099 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.251 9.702 -0.005 1.00 0.00 H new ATOM 99 N LYS A 7 -4.472 11.528 -0.533 1.00 0.00 N ATOM 100 CA LYS A 7 -3.174 11.791 0.152 1.00 0.00 C ATOM 101 C LYS A 7 -3.040 10.896 1.385 1.00 0.00 C ATOM 102 O LYS A 7 -4.013 10.415 1.931 1.00 0.00 O ATOM 103 CB LYS A 7 -3.129 13.252 0.595 1.00 0.00 C ATOM 104 CG LYS A 7 -3.107 14.159 -0.634 1.00 0.00 C ATOM 105 CD LYS A 7 -3.074 15.623 -0.189 1.00 0.00 C ATOM 106 CE LYS A 7 -2.995 16.528 -1.420 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.230 16.363 -2.238 1.00 0.00 N ATOM 0 H LYS A 7 -5.276 12.004 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.357 11.580 -0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.996 13.482 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.245 13.430 1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.235 13.935 -1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.987 13.975 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.966 15.858 0.392 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.216 15.798 0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.885 17.568 -1.113 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.116 16.276 -2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.335 17.178 -2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.160 15.490 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.057 16.306 -1.610 1.00 0.00 H new ATOM 121 N ILE A 8 -1.831 10.644 1.794 1.00 0.00 N ATOM 122 CA ILE A 8 -1.593 9.745 2.969 1.00 0.00 C ATOM 123 C ILE A 8 -2.428 10.231 4.157 1.00 0.00 C ATOM 124 O ILE A 8 -3.141 9.476 4.786 1.00 0.00 O ATOM 125 CB ILE A 8 -0.112 9.818 3.356 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.759 9.581 2.119 1.00 0.00 C ATOM 127 CG2 ILE A 8 0.201 8.754 4.412 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.373 8.275 1.429 1.00 0.00 C ATOM 0 H ILE A 8 -0.986 11.022 1.365 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.871 8.723 2.710 1.00 0.00 H new ATOM 0 HB ILE A 8 0.101 10.806 3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.646 10.413 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.809 9.548 2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.255 8.810 4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.412 8.928 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.018 7.765 4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.004 8.126 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.510 7.444 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.671 8.321 1.120 1.00 0.00 H new ATOM 140 N VAL A 9 -2.351 11.495 4.449 1.00 0.00 N ATOM 141 CA VAL A 9 -3.143 12.062 5.581 1.00 0.00 C ATOM 142 C VAL A 9 -4.637 12.054 5.220 1.00 0.00 C ATOM 143 O VAL A 9 -5.490 12.236 6.066 1.00 0.00 O ATOM 144 CB VAL A 9 -2.687 13.497 5.856 1.00 0.00 C ATOM 145 CG1 VAL A 9 -3.045 14.386 4.663 1.00 0.00 C ATOM 146 CG2 VAL A 9 -3.383 14.026 7.113 1.00 0.00 C ATOM 0 H VAL A 9 -1.770 12.169 3.951 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.985 11.456 6.473 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.608 13.509 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.720 15.408 4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.547 14.013 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.124 14.372 4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.057 15.048 7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.463 14.012 6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.126 13.395 7.964 1.00 0.00 H new ATOM 156 N ASP A 10 -4.960 11.850 3.970 1.00 0.00 N ATOM 157 CA ASP A 10 -6.395 11.831 3.545 1.00 0.00 C ATOM 158 C ASP A 10 -6.913 10.390 3.575 1.00 0.00 C ATOM 159 O ASP A 10 -8.071 10.128 3.319 1.00 0.00 O ATOM 160 CB ASP A 10 -6.498 12.380 2.122 1.00 0.00 C ATOM 161 CG ASP A 10 -7.955 12.379 1.659 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.824 12.211 2.497 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.176 12.555 0.471 1.00 0.00 O ATOM 0 H ASP A 10 -4.288 11.694 3.219 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.991 12.444 4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.098 13.393 2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.894 11.775 1.446 1.00 0.00 H new ATOM 168 N ILE A 11 -6.058 9.452 3.882 1.00 0.00 N ATOM 169 CA ILE A 11 -6.494 8.030 3.921 1.00 0.00 C ATOM 170 C ILE A 11 -7.630 7.849 4.923 1.00 0.00 C ATOM 171 O ILE A 11 -8.774 7.689 4.541 1.00 0.00 O ATOM 172 CB ILE A 11 -5.317 7.146 4.347 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.254 7.159 3.251 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.793 5.706 4.576 1.00 0.00 C ATOM 175 CD1 ILE A 11 -2.960 6.547 3.792 1.00 0.00 C ATOM 0 H ILE A 11 -5.076 9.611 4.107 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.840 7.745 2.927 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.898 7.534 5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.602 6.596 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.074 8.180 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.948 5.087 4.878 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.551 5.693 5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.219 5.313 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.199 6.555 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.611 7.129 4.645 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.147 5.520 4.106 1.00 0.00 H new ATOM 187 N VAL A 12 -7.315 7.889 6.196 1.00 0.00 N ATOM 188 CA VAL A 12 -8.340 7.715 7.276 1.00 0.00 C ATOM 189 C VAL A 12 -9.458 6.773 6.822 1.00 0.00 C ATOM 190 O VAL A 12 -10.591 6.887 7.243 1.00 0.00 O ATOM 191 CB VAL A 12 -8.906 9.080 7.688 1.00 0.00 C ATOM 192 CG1 VAL A 12 -7.822 9.864 8.437 1.00 0.00 C ATOM 193 CG2 VAL A 12 -9.334 9.867 6.451 1.00 0.00 C ATOM 0 H VAL A 12 -6.367 8.039 6.540 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.859 7.263 8.143 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.773 8.931 8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.216 10.836 8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.519 9.309 9.325 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.960 10.005 7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.734 10.834 6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.473 10.019 5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.101 9.310 5.913 1.00 0.00 H new ATOM 203 N GLU A 13 -9.142 5.847 5.951 1.00 0.00 N ATOM 204 CA GLU A 13 -10.173 4.896 5.455 1.00 0.00 C ATOM 205 C GLU A 13 -9.480 3.748 4.715 1.00 0.00 C ATOM 206 O GLU A 13 -8.869 3.940 3.681 1.00 0.00 O ATOM 207 CB GLU A 13 -11.117 5.626 4.499 1.00 0.00 C ATOM 208 CG GLU A 13 -12.201 4.658 4.022 1.00 0.00 C ATOM 209 CD GLU A 13 -13.194 5.398 3.125 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.176 6.617 3.133 1.00 0.00 O ATOM 211 OE2 GLU A 13 -13.954 4.730 2.445 1.00 0.00 O ATOM 0 H GLU A 13 -8.209 5.712 5.563 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.745 4.499 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.571 6.481 5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.560 6.015 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.748 3.831 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.720 4.228 4.878 1.00 0.00 H new ATOM 218 N ASN A 14 -9.563 2.553 5.240 1.00 0.00 N ATOM 219 CA ASN A 14 -8.906 1.388 4.574 1.00 0.00 C ATOM 220 C ASN A 14 -9.850 0.775 3.537 1.00 0.00 C ATOM 221 O ASN A 14 -11.056 0.877 3.645 1.00 0.00 O ATOM 222 CB ASN A 14 -8.550 0.335 5.628 1.00 0.00 C ATOM 223 CG ASN A 14 -9.814 -0.109 6.371 1.00 0.00 C ATOM 224 OD1 ASN A 14 -10.913 0.081 5.892 1.00 0.00 O ATOM 225 ND2 ASN A 14 -9.698 -0.693 7.533 1.00 0.00 N ATOM 0 H ASN A 14 -10.059 2.333 6.104 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.000 1.727 4.072 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.078 -0.524 5.151 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.828 0.745 6.334 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -10.532 -0.990 8.040 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.774 -0.852 7.934 1.00 0.00 H new ATOM 232 N GLY A 15 -9.308 0.138 2.534 1.00 0.00 N ATOM 233 CA GLY A 15 -10.170 -0.483 1.488 1.00 0.00 C ATOM 234 C GLY A 15 -10.722 0.611 0.577 1.00 0.00 C ATOM 235 O GLY A 15 -11.750 0.449 -0.051 1.00 0.00 O ATOM 0 H GLY A 15 -8.304 0.021 2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.594 -1.202 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.988 -1.032 1.953 1.00 0.00 H new ATOM 239 N GLN A 16 -10.051 1.731 0.506 1.00 0.00 N ATOM 240 CA GLN A 16 -10.538 2.849 -0.355 1.00 0.00 C ATOM 241 C GLN A 16 -9.865 2.781 -1.729 1.00 0.00 C ATOM 242 O GLN A 16 -8.676 2.540 -1.842 1.00 0.00 O ATOM 243 CB GLN A 16 -10.202 4.185 0.316 1.00 0.00 C ATOM 244 CG GLN A 16 -10.829 5.329 -0.483 1.00 0.00 C ATOM 245 CD GLN A 16 -10.472 6.673 0.162 1.00 0.00 C ATOM 246 OE1 GLN A 16 -10.898 7.711 -0.305 1.00 0.00 O ATOM 247 NE2 GLN A 16 -9.702 6.701 1.221 1.00 0.00 N ATOM 0 H GLN A 16 -9.184 1.920 1.009 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.617 2.763 -0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.576 4.194 1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.121 4.315 0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.472 5.304 -1.513 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.912 5.209 -0.518 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.344 5.831 1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.461 7.593 1.653 1.00 0.00 H new ATOM 256 N TRP A 17 -10.625 2.990 -2.775 1.00 0.00 N ATOM 257 CA TRP A 17 -10.056 2.951 -4.155 1.00 0.00 C ATOM 258 C TRP A 17 -9.667 4.371 -4.566 1.00 0.00 C ATOM 259 O TRP A 17 -10.479 5.275 -4.561 1.00 0.00 O ATOM 260 CB TRP A 17 -11.115 2.400 -5.114 1.00 0.00 C ATOM 261 CG TRP A 17 -11.339 0.953 -4.817 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.337 0.461 -4.046 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.567 -0.196 -5.269 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.225 -0.918 -3.997 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.150 -1.370 -4.736 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.428 -0.332 -6.083 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.622 -2.634 -5.001 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.894 -1.602 -6.352 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.489 -2.751 -5.812 1.00 0.00 C ATOM 0 H TRP A 17 -11.625 3.188 -2.730 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.175 2.310 -4.186 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.047 2.955 -5.004 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.789 2.526 -6.146 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.096 1.048 -3.550 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.859 -1.526 -3.478 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.961 0.546 -6.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.085 -3.516 -4.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.019 -1.695 -6.979 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.073 -3.725 -6.022 1.00 0.00 H new ATOM 280 N ALA A 18 -8.441 4.563 -4.961 1.00 0.00 N ATOM 281 CA ALA A 18 -8.010 5.914 -5.416 1.00 0.00 C ATOM 282 C ALA A 18 -6.667 5.812 -6.143 1.00 0.00 C ATOM 283 O ALA A 18 -6.195 4.736 -6.456 1.00 0.00 O ATOM 284 CB ALA A 18 -7.891 6.850 -4.215 1.00 0.00 C ATOM 0 H ALA A 18 -7.718 3.844 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.753 6.317 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.575 7.837 -4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.858 6.929 -3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.155 6.453 -3.516 1.00 0.00 H new ATOM 290 N ASN A 19 -6.032 6.936 -6.372 1.00 0.00 N ATOM 291 CA ASN A 19 -4.687 6.948 -7.031 1.00 0.00 C ATOM 292 C ASN A 19 -3.672 7.536 -6.058 1.00 0.00 C ATOM 293 O ASN A 19 -3.994 8.408 -5.274 1.00 0.00 O ATOM 294 CB ASN A 19 -4.728 7.810 -8.288 1.00 0.00 C ATOM 295 CG ASN A 19 -5.502 7.066 -9.365 1.00 0.00 C ATOM 296 OD1 ASN A 19 -5.984 5.975 -9.136 1.00 0.00 O ATOM 297 ND2 ASN A 19 -5.628 7.601 -10.539 1.00 0.00 N ATOM 0 H ASN A 19 -6.393 7.858 -6.127 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.408 5.931 -7.305 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.203 8.767 -8.074 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.716 8.026 -8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.133 7.106 -11.274 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.222 8.517 -10.728 1.00 0.00 H new ATOM 304 N LEU A 20 -2.449 7.067 -6.091 1.00 0.00 N ATOM 305 CA LEU A 20 -1.412 7.598 -5.153 1.00 0.00 C ATOM 306 C LEU A 20 -0.101 7.854 -5.895 1.00 0.00 C ATOM 307 O LEU A 20 0.398 7.007 -6.614 1.00 0.00 O ATOM 308 CB LEU A 20 -1.166 6.571 -4.044 1.00 0.00 C ATOM 309 CG LEU A 20 -0.245 7.166 -2.940 1.00 0.00 C ATOM 310 CD1 LEU A 20 -0.743 6.727 -1.557 1.00 0.00 C ATOM 311 CD2 LEU A 20 1.205 6.679 -3.133 1.00 0.00 C ATOM 0 H LEU A 20 -2.124 6.339 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.768 8.537 -4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.117 6.266 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.707 5.676 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.271 8.253 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.095 7.146 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.762 7.084 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.726 5.639 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.838 7.103 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.235 5.591 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.569 6.998 -4.110 1.00 0.00 H new ATOM 323 N LYS A 21 0.468 9.018 -5.704 1.00 0.00 N ATOM 324 CA LYS A 21 1.762 9.365 -6.364 1.00 0.00 C ATOM 325 C LYS A 21 2.822 9.578 -5.281 1.00 0.00 C ATOM 326 O LYS A 21 2.633 10.336 -4.348 1.00 0.00 O ATOM 327 CB LYS A 21 1.592 10.654 -7.174 1.00 0.00 C ATOM 328 CG LYS A 21 2.864 10.927 -7.983 1.00 0.00 C ATOM 329 CD LYS A 21 2.805 12.343 -8.561 1.00 0.00 C ATOM 330 CE LYS A 21 1.687 12.447 -9.606 1.00 0.00 C ATOM 331 NZ LYS A 21 0.388 12.676 -8.913 1.00 0.00 N ATOM 0 H LYS A 21 0.084 9.753 -5.110 1.00 0.00 H new ATOM 0 HA LYS A 21 2.068 8.560 -7.032 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.736 10.564 -7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.388 11.491 -6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.743 10.818 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.960 10.198 -8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.632 13.063 -7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.762 12.597 -9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.893 13.265 -10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.641 11.533 -10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.211 11.832 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.561 12.863 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.094 13.493 -9.339 1.00 0.00 H new ATOM 345 N ALA A 22 3.934 8.913 -5.403 1.00 0.00 N ATOM 346 CA ALA A 22 5.003 9.077 -4.378 1.00 0.00 C ATOM 347 C ALA A 22 6.351 8.578 -4.895 1.00 0.00 C ATOM 348 O ALA A 22 6.449 7.957 -5.935 1.00 0.00 O ATOM 349 CB ALA A 22 4.631 8.305 -3.112 1.00 0.00 C ATOM 0 H ALA A 22 4.150 8.267 -6.162 1.00 0.00 H new ATOM 0 HA ALA A 22 5.091 10.140 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.416 8.429 -2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.691 8.688 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.520 7.247 -3.350 1.00 0.00 H new ATOM 355 N LYS A 23 7.393 8.867 -4.153 1.00 0.00 N ATOM 356 CA LYS A 23 8.769 8.439 -4.557 1.00 0.00 C ATOM 357 C LYS A 23 9.205 7.242 -3.722 1.00 0.00 C ATOM 358 O LYS A 23 8.723 7.028 -2.629 1.00 0.00 O ATOM 359 CB LYS A 23 9.755 9.603 -4.364 1.00 0.00 C ATOM 360 CG LYS A 23 10.956 9.431 -5.300 1.00 0.00 C ATOM 361 CD LYS A 23 11.849 10.663 -5.195 1.00 0.00 C ATOM 362 CE LYS A 23 13.062 10.493 -6.106 1.00 0.00 C ATOM 363 NZ LYS A 23 13.919 11.708 -6.023 1.00 0.00 N ATOM 0 H LYS A 23 7.348 9.386 -3.276 1.00 0.00 H new ATOM 0 HA LYS A 23 8.760 8.152 -5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.257 10.551 -4.568 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.092 9.637 -3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.517 8.536 -5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.617 9.299 -6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.290 11.555 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.173 10.804 -4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.632 9.612 -5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.738 10.333 -7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.746 11.593 -6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.372 12.540 -6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.238 11.841 -5.042 1.00 0.00 H new ATOM 377 N VAL A 24 10.104 6.444 -4.238 1.00 0.00 N ATOM 378 CA VAL A 24 10.557 5.235 -3.480 1.00 0.00 C ATOM 379 C VAL A 24 11.861 5.551 -2.736 1.00 0.00 C ATOM 380 O VAL A 24 12.892 5.795 -3.333 1.00 0.00 O ATOM 381 CB VAL A 24 10.775 4.065 -4.470 1.00 0.00 C ATOM 382 CG1 VAL A 24 10.224 2.761 -3.886 1.00 0.00 C ATOM 383 CG2 VAL A 24 10.058 4.365 -5.789 1.00 0.00 C ATOM 0 H VAL A 24 10.544 6.575 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 24 9.798 4.951 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 24 11.845 3.954 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.385 1.948 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.738 2.535 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.156 2.870 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.213 3.539 -6.484 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.991 4.487 -5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.458 5.282 -6.220 1.00 0.00 H new ATOM 393 N ILE A 25 11.809 5.556 -1.432 1.00 0.00 N ATOM 394 CA ILE A 25 13.023 5.862 -0.619 1.00 0.00 C ATOM 395 C ILE A 25 13.737 4.558 -0.247 1.00 0.00 C ATOM 396 O ILE A 25 14.914 4.553 0.052 1.00 0.00 O ATOM 397 CB ILE A 25 12.593 6.597 0.664 1.00 0.00 C ATOM 398 CG1 ILE A 25 11.291 5.964 1.218 1.00 0.00 C ATOM 399 CG2 ILE A 25 12.392 8.092 0.367 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.044 6.664 0.663 1.00 0.00 C ATOM 0 H ILE A 25 10.969 5.359 -0.889 1.00 0.00 H new ATOM 0 HA ILE A 25 13.703 6.490 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 25 13.373 6.499 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.261 4.906 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.290 6.026 2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.088 8.606 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.326 8.520 0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.619 8.211 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.150 6.194 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.062 7.717 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.033 6.579 -0.424 1.00 0.00 H new ATOM 412 N GLN A 26 13.045 3.450 -0.257 1.00 0.00 N ATOM 413 CA GLN A 26 13.713 2.162 0.103 1.00 0.00 C ATOM 414 C GLN A 26 13.000 1.004 -0.590 1.00 0.00 C ATOM 415 O GLN A 26 11.787 0.944 -0.627 1.00 0.00 O ATOM 416 CB GLN A 26 13.648 1.963 1.614 1.00 0.00 C ATOM 417 CG GLN A 26 14.511 0.763 2.006 1.00 0.00 C ATOM 418 CD GLN A 26 14.582 0.666 3.530 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.651 0.715 4.104 1.00 0.00 O ATOM 420 NE2 GLN A 26 13.480 0.527 4.216 1.00 0.00 N ATOM 0 H GLN A 26 12.056 3.379 -0.496 1.00 0.00 H new ATOM 0 HA GLN A 26 14.754 2.192 -0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.999 2.860 2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.616 1.801 1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.090 -0.153 1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.513 0.870 1.590 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.582 0.486 3.735 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.517 0.460 5.233 1.00 0.00 H new ATOM 429 N LEU A 27 13.750 0.085 -1.149 1.00 0.00 N ATOM 430 CA LEU A 27 13.139 -1.082 -1.861 1.00 0.00 C ATOM 431 C LEU A 27 13.337 -2.350 -1.034 1.00 0.00 C ATOM 432 O LEU A 27 14.360 -2.550 -0.408 1.00 0.00 O ATOM 433 CB LEU A 27 13.813 -1.253 -3.234 1.00 0.00 C ATOM 434 CG LEU A 27 13.141 -0.332 -4.267 1.00 0.00 C ATOM 435 CD1 LEU A 27 11.704 -0.819 -4.579 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.101 1.101 -3.717 1.00 0.00 C ATOM 0 H LEU A 27 14.770 0.094 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 27 12.072 -0.905 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.874 -1.017 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.740 -2.291 -3.558 1.00 0.00 H new ATOM 0 HG LEU A 27 13.718 -0.355 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.246 -0.155 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.742 -1.831 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.112 -0.814 -3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.626 1.757 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.532 1.118 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.117 1.446 -3.527 1.00 0.00 H new ATOM 448 N TRP A 28 12.362 -3.216 -1.042 1.00 0.00 N ATOM 449 CA TRP A 28 12.473 -4.485 -0.274 1.00 0.00 C ATOM 450 C TRP A 28 11.766 -5.601 -1.045 1.00 0.00 C ATOM 451 O TRP A 28 10.583 -5.541 -1.313 1.00 0.00 O ATOM 452 CB TRP A 28 11.826 -4.301 1.104 1.00 0.00 C ATOM 453 CG TRP A 28 12.795 -3.633 2.024 1.00 0.00 C ATOM 454 CD1 TRP A 28 12.668 -2.379 2.507 1.00 0.00 C ATOM 455 CD2 TRP A 28 14.037 -4.162 2.565 1.00 0.00 C ATOM 456 NE1 TRP A 28 13.752 -2.106 3.322 1.00 0.00 N ATOM 457 CE2 TRP A 28 14.624 -3.174 3.387 1.00 0.00 C ATOM 458 CE3 TRP A 28 14.703 -5.393 2.425 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.830 -3.398 4.049 1.00 0.00 C ATOM 460 CZ3 TRP A 28 15.919 -5.622 3.090 1.00 0.00 C ATOM 461 CH2 TRP A 28 16.481 -4.625 3.901 1.00 0.00 C ATOM 0 H TRP A 28 11.487 -3.097 -1.552 1.00 0.00 H new ATOM 0 HA TRP A 28 13.522 -4.751 -0.141 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.920 -3.701 1.015 1.00 0.00 H new ATOM 0 HB3 TRP A 28 11.530 -5.268 1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.855 -1.701 2.293 1.00 0.00 H new ATOM 0 HE1 TRP A 28 13.890 -1.224 3.815 1.00 0.00 H new ATOM 0 HE3 TRP A 28 14.277 -6.166 1.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 16.259 -2.627 4.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 16.424 -6.570 2.976 1.00 0.00 H new ATOM 0 HH2 TRP A 28 17.416 -4.806 4.410 1.00 0.00 H new ATOM 472 N GLU A 29 12.497 -6.619 -1.403 1.00 0.00 N ATOM 473 CA GLU A 29 11.896 -7.755 -2.159 1.00 0.00 C ATOM 474 C GLU A 29 11.360 -8.801 -1.175 1.00 0.00 C ATOM 475 O GLU A 29 11.935 -9.038 -0.132 1.00 0.00 O ATOM 476 CB GLU A 29 12.958 -8.397 -3.058 1.00 0.00 C ATOM 477 CG GLU A 29 14.242 -8.663 -2.257 1.00 0.00 C ATOM 478 CD GLU A 29 15.059 -7.372 -2.127 1.00 0.00 C ATOM 479 OE1 GLU A 29 15.084 -6.610 -3.078 1.00 0.00 O ATOM 480 OE2 GLU A 29 15.645 -7.171 -1.076 1.00 0.00 O ATOM 0 H GLU A 29 13.493 -6.714 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 29 11.078 -7.383 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.578 -9.332 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.176 -7.741 -3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.990 -9.044 -1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.837 -9.430 -2.753 1.00 0.00 H new ATOM 558 N ILE A 35 3.541 -12.702 -0.874 1.00 0.00 N ATOM 559 CA ILE A 35 4.032 -11.309 -1.029 1.00 0.00 C ATOM 560 C ILE A 35 5.049 -11.248 -2.165 1.00 0.00 C ATOM 561 O ILE A 35 5.992 -12.013 -2.214 1.00 0.00 O ATOM 562 CB ILE A 35 4.700 -10.859 0.274 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.755 -11.128 1.452 1.00 0.00 C ATOM 564 CG2 ILE A 35 5.003 -9.361 0.199 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.468 -10.824 2.774 1.00 0.00 C ATOM 0 HA ILE A 35 3.193 -10.652 -1.258 1.00 0.00 H new ATOM 0 HB ILE A 35 5.628 -11.413 0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.861 -10.511 1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.427 -12.167 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.478 -9.039 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.673 -9.167 -0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.074 -8.809 0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.790 -11.017 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.348 -11.460 2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.773 -9.778 2.791 1.00 0.00 H new ATOM 577 N SER A 36 4.854 -10.342 -3.086 1.00 0.00 N ATOM 578 CA SER A 36 5.793 -10.214 -4.236 1.00 0.00 C ATOM 579 C SER A 36 6.868 -9.174 -3.910 1.00 0.00 C ATOM 580 O SER A 36 8.051 -9.458 -3.938 1.00 0.00 O ATOM 581 CB SER A 36 5.010 -9.760 -5.472 1.00 0.00 C ATOM 582 OG SER A 36 5.734 -10.116 -6.641 1.00 0.00 O ATOM 0 H SER A 36 4.078 -9.680 -3.090 1.00 0.00 H new ATOM 0 HA SER A 36 6.268 -11.176 -4.428 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.025 -10.226 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.853 -8.682 -5.442 1.00 0.00 H new ATOM 0 HG SER A 36 5.236 -9.829 -7.435 1.00 0.00 H new ATOM 588 N GLN A 37 6.469 -7.966 -3.614 1.00 0.00 N ATOM 589 CA GLN A 37 7.471 -6.907 -3.306 1.00 0.00 C ATOM 590 C GLN A 37 6.885 -5.897 -2.319 1.00 0.00 C ATOM 591 O GLN A 37 5.697 -5.650 -2.291 1.00 0.00 O ATOM 592 CB GLN A 37 7.833 -6.182 -4.600 1.00 0.00 C ATOM 593 CG GLN A 37 8.959 -5.188 -4.331 1.00 0.00 C ATOM 594 CD GLN A 37 9.342 -4.494 -5.637 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.057 -4.986 -6.709 1.00 0.00 O ATOM 596 NE2 GLN A 37 9.975 -3.356 -5.589 1.00 0.00 N ATOM 0 H GLN A 37 5.494 -7.668 -3.572 1.00 0.00 H new ATOM 0 HA GLN A 37 8.356 -7.366 -2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.143 -6.902 -5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.960 -5.661 -4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.641 -4.451 -3.594 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.823 -5.704 -3.913 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.214 -2.943 -4.688 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.231 -2.878 -6.453 1.00 0.00 H new ATOM 605 N VAL A 38 7.728 -5.298 -1.522 1.00 0.00 N ATOM 606 CA VAL A 38 7.263 -4.280 -0.536 1.00 0.00 C ATOM 607 C VAL A 38 8.299 -3.160 -0.475 1.00 0.00 C ATOM 608 O VAL A 38 9.458 -3.356 -0.783 1.00 0.00 O ATOM 609 CB VAL A 38 7.110 -4.927 0.848 1.00 0.00 C ATOM 610 CG1 VAL A 38 8.332 -5.801 1.143 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.990 -3.837 1.927 1.00 0.00 C ATOM 0 H VAL A 38 8.733 -5.473 -1.512 1.00 0.00 H new ATOM 0 HA VAL A 38 6.297 -3.878 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 38 6.210 -5.541 0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.222 -6.260 2.126 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.413 -6.581 0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.232 -5.186 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.882 -4.304 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.886 -3.216 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.117 -3.217 1.722 1.00 0.00 H new ATOM 621 N GLY A 39 7.897 -1.989 -0.077 1.00 0.00 N ATOM 622 CA GLY A 39 8.875 -0.871 0.004 1.00 0.00 C ATOM 623 C GLY A 39 8.243 0.328 0.706 1.00 0.00 C ATOM 624 O GLY A 39 7.156 0.245 1.253 1.00 0.00 O ATOM 0 H GLY A 39 6.941 -1.757 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.764 -1.193 0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.199 -0.587 -0.997 1.00 0.00 H new ATOM 628 N LEU A 40 8.927 1.446 0.690 1.00 0.00 N ATOM 629 CA LEU A 40 8.411 2.684 1.352 1.00 0.00 C ATOM 630 C LEU A 40 8.121 3.745 0.297 1.00 0.00 C ATOM 631 O LEU A 40 8.802 3.849 -0.706 1.00 0.00 O ATOM 632 CB LEU A 40 9.475 3.212 2.335 1.00 0.00 C ATOM 633 CG LEU A 40 9.312 2.558 3.718 1.00 0.00 C ATOM 634 CD1 LEU A 40 8.063 3.115 4.428 1.00 0.00 C ATOM 635 CD2 LEU A 40 9.207 1.033 3.560 1.00 0.00 C ATOM 0 H LEU A 40 9.835 1.554 0.239 1.00 0.00 H new ATOM 0 HA LEU A 40 7.493 2.455 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.472 3.005 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.387 4.295 2.427 1.00 0.00 H new ATOM 0 HG LEU A 40 10.184 2.790 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.960 2.644 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.166 4.193 4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.178 2.903 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.092 0.573 4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.343 0.790 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.112 0.653 3.085 1.00 0.00 H new ATOM 647 N LEU A 41 7.109 4.543 0.530 1.00 0.00 N ATOM 648 CA LEU A 41 6.741 5.620 -0.434 1.00 0.00 C ATOM 649 C LEU A 41 6.902 6.974 0.246 1.00 0.00 C ATOM 650 O LEU A 41 6.344 7.230 1.294 1.00 0.00 O ATOM 651 CB LEU A 41 5.282 5.422 -0.855 1.00 0.00 C ATOM 652 CG LEU A 41 5.189 4.242 -1.845 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.774 3.648 -1.825 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.527 4.712 -3.279 1.00 0.00 C ATOM 0 H LEU A 41 6.516 4.492 1.358 1.00 0.00 H new ATOM 0 HA LEU A 41 7.386 5.580 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.663 5.226 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.899 6.331 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 41 5.907 3.481 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.719 2.816 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.543 3.292 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.054 4.414 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.457 3.868 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.823 5.486 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.540 5.114 -3.301 1.00 0.00 H new ATOM 666 N GLY A 42 7.684 7.834 -0.344 1.00 0.00 N ATOM 667 CA GLY A 42 7.927 9.180 0.246 1.00 0.00 C ATOM 668 C GLY A 42 6.976 10.204 -0.370 1.00 0.00 C ATOM 669 O GLY A 42 7.226 10.734 -1.436 1.00 0.00 O ATOM 0 H GLY A 42 8.172 7.659 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.784 9.143 1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.960 9.481 0.071 1.00 0.00 H new ATOM 673 N ASP A 43 5.888 10.495 0.294 1.00 0.00 N ATOM 674 CA ASP A 43 4.920 11.499 -0.242 1.00 0.00 C ATOM 675 C ASP A 43 5.156 12.845 0.444 1.00 0.00 C ATOM 676 O ASP A 43 5.763 12.926 1.495 1.00 0.00 O ATOM 677 CB ASP A 43 3.490 11.032 0.030 1.00 0.00 C ATOM 678 CG ASP A 43 2.504 12.008 -0.613 1.00 0.00 C ATOM 679 OD1 ASP A 43 2.937 12.806 -1.425 1.00 0.00 O ATOM 680 OD2 ASP A 43 1.333 11.941 -0.280 1.00 0.00 O ATOM 0 H ASP A 43 5.627 10.079 1.188 1.00 0.00 H new ATOM 0 HA ASP A 43 5.065 11.605 -1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.341 10.030 -0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.313 10.974 1.104 1.00 0.00 H new ATOM 685 N GLU A 44 4.677 13.902 -0.149 1.00 0.00 N ATOM 686 CA GLU A 44 4.859 15.257 0.442 1.00 0.00 C ATOM 687 C GLU A 44 4.084 15.361 1.756 1.00 0.00 C ATOM 688 O GLU A 44 4.334 16.231 2.566 1.00 0.00 O ATOM 689 CB GLU A 44 4.328 16.296 -0.543 1.00 0.00 C ATOM 690 CG GLU A 44 5.219 16.321 -1.786 1.00 0.00 C ATOM 691 CD GLU A 44 4.622 17.272 -2.823 1.00 0.00 C ATOM 692 OE1 GLU A 44 3.602 17.873 -2.529 1.00 0.00 O ATOM 693 OE2 GLU A 44 5.194 17.381 -3.894 1.00 0.00 O ATOM 0 H GLU A 44 4.161 13.885 -1.029 1.00 0.00 H new ATOM 0 HA GLU A 44 5.917 15.432 0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.302 16.057 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.310 17.280 -0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.225 16.643 -1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.306 15.318 -2.204 1.00 0.00 H new ATOM 700 N THR A 45 3.136 14.488 1.974 1.00 0.00 N ATOM 701 CA THR A 45 2.340 14.545 3.234 1.00 0.00 C ATOM 702 C THR A 45 2.972 13.618 4.270 1.00 0.00 C ATOM 703 O THR A 45 2.561 13.578 5.412 1.00 0.00 O ATOM 704 CB THR A 45 0.903 14.096 2.947 1.00 0.00 C ATOM 705 OG1 THR A 45 0.931 12.893 2.190 1.00 0.00 O ATOM 706 CG2 THR A 45 0.167 15.181 2.154 1.00 0.00 C ATOM 0 H THR A 45 2.879 13.737 1.333 1.00 0.00 H new ATOM 0 HA THR A 45 2.329 15.565 3.618 1.00 0.00 H new ATOM 0 HB THR A 45 0.382 13.927 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.014 13.108 1.237 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.854 14.856 1.953 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.146 16.104 2.733 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.684 15.356 1.211 1.00 0.00 H new ATOM 714 N GLY A 46 3.983 12.880 3.892 1.00 0.00 N ATOM 715 CA GLY A 46 4.648 11.972 4.873 1.00 0.00 C ATOM 716 C GLY A 46 5.155 10.715 4.165 1.00 0.00 C ATOM 717 O GLY A 46 5.593 10.760 3.033 1.00 0.00 O ATOM 0 H GLY A 46 4.376 12.866 2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.479 12.489 5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.946 11.697 5.660 1.00 0.00 H new ATOM 721 N ILE A 47 5.095 9.590 4.835 1.00 0.00 N ATOM 722 CA ILE A 47 5.571 8.310 4.224 1.00 0.00 C ATOM 723 C ILE A 47 4.568 7.193 4.506 1.00 0.00 C ATOM 724 O ILE A 47 3.727 7.300 5.377 1.00 0.00 O ATOM 725 CB ILE A 47 6.937 7.939 4.816 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.803 7.671 6.321 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.919 9.093 4.594 1.00 0.00 C ATOM 728 CD1 ILE A 47 8.185 7.371 6.904 1.00 0.00 C ATOM 0 H ILE A 47 4.734 9.503 5.785 1.00 0.00 H new ATOM 0 HA ILE A 47 5.664 8.439 3.146 1.00 0.00 H new ATOM 0 HB ILE A 47 7.306 7.040 4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.365 8.536 6.819 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.132 6.830 6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.890 8.831 5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.025 9.280 3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.542 9.991 5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.095 7.180 7.973 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.605 6.493 6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.842 8.226 6.742 1.00 0.00 H new ATOM 740 N ILE A 48 4.657 6.113 3.779 1.00 0.00 N ATOM 741 CA ILE A 48 3.717 4.981 4.012 1.00 0.00 C ATOM 742 C ILE A 48 4.275 3.705 3.373 1.00 0.00 C ATOM 743 O ILE A 48 4.998 3.749 2.397 1.00 0.00 O ATOM 744 CB ILE A 48 2.351 5.315 3.411 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.359 4.210 3.776 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.462 5.425 1.889 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.059 4.667 3.430 1.00 0.00 C ATOM 0 H ILE A 48 5.339 5.966 3.035 1.00 0.00 H new ATOM 0 HA ILE A 48 3.604 4.820 5.084 1.00 0.00 H new ATOM 0 HB ILE A 48 2.003 6.268 3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.601 3.295 3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.430 3.979 4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.485 5.663 1.469 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.169 6.214 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.811 4.477 1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.768 3.881 3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.297 5.570 3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.124 4.876 2.362 1.00 0.00 H new ATOM 759 N LYS A 49 3.941 2.569 3.920 1.00 0.00 N ATOM 760 CA LYS A 49 4.440 1.273 3.359 1.00 0.00 C ATOM 761 C LYS A 49 3.474 0.776 2.283 1.00 0.00 C ATOM 762 O LYS A 49 2.318 1.154 2.259 1.00 0.00 O ATOM 763 CB LYS A 49 4.504 0.242 4.482 1.00 0.00 C ATOM 764 CG LYS A 49 5.614 0.628 5.456 1.00 0.00 C ATOM 765 CD LYS A 49 5.597 -0.317 6.653 1.00 0.00 C ATOM 766 CE LYS A 49 6.661 0.125 7.656 1.00 0.00 C ATOM 767 NZ LYS A 49 8.009 0.044 7.024 1.00 0.00 N ATOM 0 H LYS A 49 3.339 2.478 4.738 1.00 0.00 H new ATOM 0 HA LYS A 49 5.429 1.418 2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.548 0.194 5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.693 -0.750 4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.582 0.581 4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.477 1.656 5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.613 -0.312 7.122 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.789 -1.339 6.327 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.463 1.145 7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.625 -0.509 8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.680 -0.387 7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.955 -0.537 6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.334 1.000 6.776 1.00 0.00 H new ATOM 781 N PHE A 50 3.911 -0.090 1.396 1.00 0.00 N ATOM 782 CA PHE A 50 2.984 -0.613 0.353 1.00 0.00 C ATOM 783 C PHE A 50 3.399 -2.050 0.028 1.00 0.00 C ATOM 784 O PHE A 50 4.550 -2.423 0.193 1.00 0.00 O ATOM 785 CB PHE A 50 3.078 0.247 -0.911 1.00 0.00 C ATOM 786 CG PHE A 50 4.396 0.013 -1.627 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.539 0.738 -1.272 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.460 -0.931 -2.660 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.747 0.519 -1.954 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.664 -1.148 -3.340 1.00 0.00 C ATOM 791 CZ PHE A 50 6.807 -0.424 -2.990 1.00 0.00 C ATOM 0 H PHE A 50 4.864 -0.452 1.354 1.00 0.00 H new ATOM 0 HA PHE A 50 1.957 -0.585 0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.250 0.011 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.985 1.300 -0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.492 1.465 -0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.579 -1.493 -2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.630 1.077 -1.680 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.710 -1.876 -4.136 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.735 -0.591 -3.517 1.00 0.00 H new ATOM 801 N THR A 51 2.477 -2.859 -0.433 1.00 0.00 N ATOM 802 CA THR A 51 2.802 -4.277 -0.772 1.00 0.00 C ATOM 803 C THR A 51 2.200 -4.639 -2.134 1.00 0.00 C ATOM 804 O THR A 51 1.034 -4.414 -2.390 1.00 0.00 O ATOM 805 CB THR A 51 2.212 -5.192 0.302 1.00 0.00 C ATOM 806 OG1 THR A 51 2.823 -4.901 1.550 1.00 0.00 O ATOM 807 CG2 THR A 51 2.465 -6.655 -0.067 1.00 0.00 C ATOM 0 H THR A 51 1.505 -2.594 -0.590 1.00 0.00 H new ATOM 0 HA THR A 51 3.884 -4.402 -0.816 1.00 0.00 H new ATOM 0 HB THR A 51 1.137 -5.024 0.373 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.447 -5.484 2.242 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.043 -7.302 0.702 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.995 -6.875 -1.025 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.538 -6.831 -0.140 1.00 0.00 H new ATOM 815 N ILE A 52 2.997 -5.200 -3.006 1.00 0.00 N ATOM 816 CA ILE A 52 2.498 -5.590 -4.363 1.00 0.00 C ATOM 817 C ILE A 52 2.301 -7.104 -4.423 1.00 0.00 C ATOM 818 O ILE A 52 3.169 -7.869 -4.052 1.00 0.00 O ATOM 819 CB ILE A 52 3.520 -5.168 -5.418 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.693 -3.648 -5.367 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.019 -5.582 -6.801 1.00 0.00 C ATOM 822 CD1 ILE A 52 4.885 -3.237 -6.228 1.00 0.00 C ATOM 0 H ILE A 52 3.981 -5.407 -2.836 1.00 0.00 H new ATOM 0 HA ILE A 52 1.546 -5.095 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 52 4.477 -5.651 -5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.788 -3.157 -5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.847 -3.324 -4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.746 -5.282 -7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.889 -6.664 -6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.065 -5.096 -7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.005 -2.154 -6.190 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.789 -3.716 -5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.713 -3.547 -7.259 1.00 0.00 H new ATOM 834 N TRP A 53 1.152 -7.544 -4.866 1.00 0.00 N ATOM 835 CA TRP A 53 0.880 -9.009 -4.931 1.00 0.00 C ATOM 836 C TRP A 53 1.360 -9.579 -6.268 1.00 0.00 C ATOM 837 O TRP A 53 1.303 -8.927 -7.292 1.00 0.00 O ATOM 838 CB TRP A 53 -0.625 -9.238 -4.799 1.00 0.00 C ATOM 839 CG TRP A 53 -1.074 -8.763 -3.457 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.883 -7.702 -3.238 1.00 0.00 C ATOM 841 CD2 TRP A 53 -0.739 -9.299 -2.147 1.00 0.00 C ATOM 842 NE1 TRP A 53 -2.078 -7.562 -1.876 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.389 -8.523 -1.160 1.00 0.00 C ATOM 844 CE3 TRP A 53 0.055 -10.379 -1.725 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.254 -8.805 0.199 1.00 0.00 C ATOM 846 CZ3 TRP A 53 0.195 -10.666 -0.358 1.00 0.00 C ATOM 847 CH2 TRP A 53 -0.460 -9.882 0.602 1.00 0.00 C ATOM 0 H TRP A 53 0.388 -6.949 -5.186 1.00 0.00 H new ATOM 0 HA TRP A 53 1.412 -9.510 -4.122 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -1.157 -8.703 -5.585 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.857 -10.296 -4.921 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.308 -7.067 -4.002 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.659 -6.839 -1.452 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.560 -10.992 -2.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.759 -8.196 0.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.811 -11.496 -0.044 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.351 -10.110 1.652 1.00 0.00 H new ATOM 858 N LYS A 54 1.836 -10.794 -6.259 1.00 0.00 N ATOM 859 CA LYS A 54 2.330 -11.424 -7.515 1.00 0.00 C ATOM 860 C LYS A 54 1.203 -11.445 -8.547 1.00 0.00 C ATOM 861 O LYS A 54 1.423 -11.251 -9.728 1.00 0.00 O ATOM 862 CB LYS A 54 2.750 -12.864 -7.221 1.00 0.00 C ATOM 863 CG LYS A 54 3.944 -12.875 -6.264 1.00 0.00 C ATOM 864 CD LYS A 54 4.476 -14.306 -6.115 1.00 0.00 C ATOM 865 CE LYS A 54 3.449 -15.177 -5.383 1.00 0.00 C ATOM 866 NZ LYS A 54 4.115 -16.411 -4.879 1.00 0.00 N ATOM 0 H LYS A 54 1.904 -11.382 -5.428 1.00 0.00 H new ATOM 0 HA LYS A 54 3.177 -10.856 -7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.916 -13.412 -6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.012 -13.372 -8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.731 -12.222 -6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.646 -12.485 -5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.687 -14.728 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.416 -14.297 -5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.011 -14.622 -4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.633 -15.440 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.419 -17.003 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.513 -16.942 -5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.879 -16.150 -4.223 1.00 0.00 H new ATOM 880 N ASN A 55 -0.001 -11.692 -8.113 1.00 0.00 N ATOM 881 CA ASN A 55 -1.145 -11.742 -9.065 1.00 0.00 C ATOM 882 C ASN A 55 -1.277 -10.397 -9.784 1.00 0.00 C ATOM 883 O ASN A 55 -2.087 -10.240 -10.676 1.00 0.00 O ATOM 884 CB ASN A 55 -2.430 -12.037 -8.288 1.00 0.00 C ATOM 885 CG ASN A 55 -2.682 -10.922 -7.269 1.00 0.00 C ATOM 886 OD1 ASN A 55 -2.117 -9.850 -7.370 1.00 0.00 O ATOM 887 ND2 ASN A 55 -3.509 -11.131 -6.281 1.00 0.00 N ATOM 0 H ASN A 55 -0.243 -11.862 -7.137 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.973 -12.526 -9.803 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.273 -12.113 -8.975 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.347 -12.997 -7.779 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.680 -10.396 -5.595 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.984 -12.030 -6.195 1.00 0.00 H new ATOM 894 N ALA A 56 -0.486 -9.426 -9.410 1.00 0.00 N ATOM 895 CA ALA A 56 -0.564 -8.097 -10.083 1.00 0.00 C ATOM 896 C ALA A 56 0.317 -8.123 -11.334 1.00 0.00 C ATOM 897 O ALA A 56 0.071 -7.419 -12.294 1.00 0.00 O ATOM 898 CB ALA A 56 -0.065 -7.015 -9.122 1.00 0.00 C ATOM 0 H ALA A 56 0.210 -9.496 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.594 -7.880 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.120 -6.042 -9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.687 -7.008 -8.227 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.968 -7.224 -8.844 1.00 0.00 H new ATOM 904 N GLU A 57 1.345 -8.935 -11.323 1.00 0.00 N ATOM 905 CA GLU A 57 2.257 -9.026 -12.502 1.00 0.00 C ATOM 906 C GLU A 57 2.799 -7.645 -12.858 1.00 0.00 C ATOM 907 O GLU A 57 2.703 -7.204 -13.986 1.00 0.00 O ATOM 908 CB GLU A 57 1.503 -9.613 -13.698 1.00 0.00 C ATOM 909 CG GLU A 57 1.181 -11.079 -13.415 1.00 0.00 C ATOM 910 CD GLU A 57 0.350 -11.656 -14.562 1.00 0.00 C ATOM 911 OE1 GLU A 57 0.068 -10.918 -15.492 1.00 0.00 O ATOM 912 OE2 GLU A 57 0.011 -12.825 -14.491 1.00 0.00 O ATOM 0 H GLU A 57 1.592 -9.542 -10.542 1.00 0.00 H new ATOM 0 HA GLU A 57 3.094 -9.678 -12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.584 -9.054 -13.875 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.107 -9.528 -14.602 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.103 -11.648 -13.300 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.633 -11.166 -12.477 1.00 0.00 H new ATOM 919 N LEU A 58 3.370 -6.959 -11.897 1.00 0.00 N ATOM 920 CA LEU A 58 3.933 -5.594 -12.159 1.00 0.00 C ATOM 921 C LEU A 58 5.471 -5.639 -12.083 1.00 0.00 C ATOM 922 O LEU A 58 6.031 -6.397 -11.315 1.00 0.00 O ATOM 923 CB LEU A 58 3.401 -4.620 -11.107 1.00 0.00 C ATOM 924 CG LEU A 58 1.868 -4.628 -11.138 1.00 0.00 C ATOM 925 CD1 LEU A 58 1.340 -3.792 -9.973 1.00 0.00 C ATOM 926 CD2 LEU A 58 1.356 -4.045 -12.469 1.00 0.00 C ATOM 0 H LEU A 58 3.471 -7.287 -10.937 1.00 0.00 H new ATOM 0 HA LEU A 58 3.633 -5.264 -13.154 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.758 -4.905 -10.117 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.775 -3.615 -11.303 1.00 0.00 H new ATOM 0 HG LEU A 58 1.513 -5.655 -11.048 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.250 -3.793 -9.989 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.690 -4.217 -9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.703 -2.768 -10.066 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.266 -4.057 -12.476 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.708 -3.019 -12.576 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.731 -4.646 -13.298 1.00 0.00 H new ATOM 938 N PRO A 59 6.150 -4.828 -12.869 1.00 0.00 N ATOM 939 CA PRO A 59 7.645 -4.777 -12.880 1.00 0.00 C ATOM 940 C PRO A 59 8.227 -4.206 -11.578 1.00 0.00 C ATOM 941 O PRO A 59 7.532 -3.610 -10.779 1.00 0.00 O ATOM 942 CB PRO A 59 7.979 -3.874 -14.081 1.00 0.00 C ATOM 943 CG PRO A 59 6.760 -3.033 -14.296 1.00 0.00 C ATOM 944 CD PRO A 59 5.569 -3.878 -13.839 1.00 0.00 C ATOM 0 HA PRO A 59 8.080 -5.773 -12.960 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.852 -3.255 -13.876 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.209 -4.467 -14.966 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.821 -2.107 -13.725 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.660 -2.755 -15.345 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.797 -3.262 -13.379 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.105 -4.398 -14.677 1.00 0.00 H new ATOM 952 N LEU A 60 9.499 -4.407 -11.360 1.00 0.00 N ATOM 953 CA LEU A 60 10.145 -3.903 -10.116 1.00 0.00 C ATOM 954 C LEU A 60 10.302 -2.381 -10.181 1.00 0.00 C ATOM 955 O LEU A 60 10.604 -1.815 -11.214 1.00 0.00 O ATOM 956 CB LEU A 60 11.523 -4.551 -9.978 1.00 0.00 C ATOM 957 CG LEU A 60 11.383 -6.075 -10.061 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.771 -6.715 -9.973 1.00 0.00 C ATOM 959 CD2 LEU A 60 10.502 -6.586 -8.909 1.00 0.00 C ATOM 0 H LEU A 60 10.122 -4.903 -11.997 1.00 0.00 H new ATOM 0 HA LEU A 60 9.523 -4.156 -9.257 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.185 -4.193 -10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.976 -4.268 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 60 10.915 -6.343 -11.008 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.676 -7.799 -10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.388 -6.360 -10.798 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.238 -6.442 -9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.408 -7.670 -8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.959 -6.320 -7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.514 -6.131 -8.977 1.00 0.00 H new ATOM 971 N LEU A 61 10.090 -1.723 -9.074 1.00 0.00 N ATOM 972 CA LEU A 61 10.211 -0.236 -9.032 1.00 0.00 C ATOM 973 C LEU A 61 11.676 0.161 -8.822 1.00 0.00 C ATOM 974 O LEU A 61 12.420 -0.511 -8.134 1.00 0.00 O ATOM 975 CB LEU A 61 9.362 0.300 -7.877 1.00 0.00 C ATOM 976 CG LEU A 61 7.891 0.328 -8.295 1.00 0.00 C ATOM 977 CD1 LEU A 61 7.428 -1.089 -8.656 1.00 0.00 C ATOM 978 CD2 LEU A 61 7.049 0.866 -7.137 1.00 0.00 C ATOM 0 H LEU A 61 9.835 -2.156 -8.187 1.00 0.00 H new ATOM 0 HA LEU A 61 9.862 0.186 -9.974 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.489 -0.329 -6.996 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.692 1.302 -7.603 1.00 0.00 H new ATOM 0 HG LEU A 61 7.771 0.974 -9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.380 -1.065 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.030 -1.469 -9.481 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.545 -1.741 -7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.999 0.888 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.170 0.219 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.377 1.875 -6.887 1.00 0.00 H new ATOM 990 N GLU A 62 12.096 1.248 -9.416 1.00 0.00 N ATOM 991 CA GLU A 62 13.515 1.694 -9.265 1.00 0.00 C ATOM 992 C GLU A 62 13.628 2.687 -8.106 1.00 0.00 C ATOM 993 O GLU A 62 12.797 3.554 -7.925 1.00 0.00 O ATOM 994 CB GLU A 62 13.962 2.369 -10.561 1.00 0.00 C ATOM 995 CG GLU A 62 13.924 1.347 -11.701 1.00 0.00 C ATOM 996 CD GLU A 62 14.960 0.252 -11.444 1.00 0.00 C ATOM 997 OE1 GLU A 62 15.862 0.493 -10.659 1.00 0.00 O ATOM 998 OE2 GLU A 62 14.831 -0.809 -12.030 1.00 0.00 O ATOM 0 H GLU A 62 11.516 1.849 -10.001 1.00 0.00 H new ATOM 0 HA GLU A 62 14.149 0.832 -9.056 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.309 3.211 -10.790 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.970 2.768 -10.448 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.929 0.909 -11.777 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.129 1.840 -12.651 1.00 0.00 H new ATOM 1005 N GLN A 63 14.650 2.543 -7.308 1.00 0.00 N ATOM 1006 CA GLN A 63 14.828 3.451 -6.138 1.00 0.00 C ATOM 1007 C GLN A 63 15.342 4.817 -6.585 1.00 0.00 C ATOM 1008 O GLN A 63 16.223 4.924 -7.415 1.00 0.00 O ATOM 1009 CB GLN A 63 15.827 2.829 -5.163 1.00 0.00 C ATOM 1010 CG GLN A 63 15.895 3.686 -3.897 1.00 0.00 C ATOM 1011 CD GLN A 63 16.798 3.010 -2.865 1.00 0.00 C ATOM 1012 OE1 GLN A 63 17.033 1.820 -2.932 1.00 0.00 O ATOM 1013 NE2 GLN A 63 17.318 3.726 -1.907 1.00 0.00 N ATOM 0 H GLN A 63 15.373 1.832 -7.416 1.00 0.00 H new ATOM 0 HA GLN A 63 13.862 3.585 -5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.524 1.812 -4.912 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.812 2.763 -5.625 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.280 4.677 -4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.895 3.823 -3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.120 4.725 -1.852 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.923 3.287 -1.213 1.00 0.00 H new ATOM 1022 N GLY A 64 14.801 5.868 -6.025 1.00 0.00 N ATOM 1023 CA GLY A 64 15.252 7.243 -6.394 1.00 0.00 C ATOM 1024 C GLY A 64 14.348 7.802 -7.490 1.00 0.00 C ATOM 1025 O GLY A 64 14.457 8.954 -7.866 1.00 0.00 O ATOM 0 H GLY A 64 14.061 5.832 -5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.224 7.893 -5.519 1.00 0.00 H new ATOM 0 HA3 GLY A 64 16.286 7.217 -6.739 1.00 0.00 H new ATOM 1029 N GLU A 65 13.464 6.992 -8.020 1.00 0.00 N ATOM 1030 CA GLU A 65 12.553 7.465 -9.106 1.00 0.00 C ATOM 1031 C GLU A 65 11.132 7.666 -8.571 1.00 0.00 C ATOM 1032 O GLU A 65 10.757 7.164 -7.520 1.00 0.00 O ATOM 1033 CB GLU A 65 12.532 6.432 -10.235 1.00 0.00 C ATOM 1034 CG GLU A 65 13.902 6.405 -10.917 1.00 0.00 C ATOM 1035 CD GLU A 65 13.884 5.392 -12.062 1.00 0.00 C ATOM 1036 OE1 GLU A 65 12.820 4.867 -12.345 1.00 0.00 O ATOM 1037 OE2 GLU A 65 14.934 5.162 -12.640 1.00 0.00 O ATOM 0 H GLU A 65 13.335 6.018 -7.745 1.00 0.00 H new ATOM 0 HA GLU A 65 12.921 8.420 -9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.291 5.446 -9.838 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.757 6.682 -10.959 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.149 7.396 -11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.674 6.139 -10.195 1.00 0.00 H new ATOM 1044 N SER A 66 10.344 8.405 -9.307 1.00 0.00 N ATOM 1045 CA SER A 66 8.933 8.674 -8.901 1.00 0.00 C ATOM 1046 C SER A 66 7.997 7.764 -9.694 1.00 0.00 C ATOM 1047 O SER A 66 8.212 7.499 -10.863 1.00 0.00 O ATOM 1048 CB SER A 66 8.584 10.134 -9.183 1.00 0.00 C ATOM 1049 OG SER A 66 9.422 10.971 -8.400 1.00 0.00 O ATOM 0 H SER A 66 10.623 8.840 -10.186 1.00 0.00 H new ATOM 0 HA SER A 66 8.819 8.477 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.716 10.354 -10.242 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.537 10.323 -8.946 1.00 0.00 H new ATOM 0 HG SER A 66 10.237 11.179 -8.902 1.00 0.00 H new ATOM 1055 N TYR A 67 6.955 7.286 -9.062 1.00 0.00 N ATOM 1056 CA TYR A 67 5.987 6.387 -9.754 1.00 0.00 C ATOM 1057 C TYR A 67 4.555 6.813 -9.438 1.00 0.00 C ATOM 1058 O TYR A 67 4.263 7.372 -8.394 1.00 0.00 O ATOM 1059 CB TYR A 67 6.194 4.945 -9.285 1.00 0.00 C ATOM 1060 CG TYR A 67 7.485 4.408 -9.852 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.520 3.913 -11.161 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.645 4.398 -9.070 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.714 3.409 -11.688 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.840 3.894 -9.597 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.874 3.400 -10.907 1.00 0.00 C ATOM 1066 OH TYR A 67 11.051 2.902 -11.426 1.00 0.00 O ATOM 0 H TYR A 67 6.733 7.483 -8.086 1.00 0.00 H new ATOM 0 HA TYR A 67 6.156 6.453 -10.829 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.220 4.906 -8.196 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.358 4.324 -9.606 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.624 3.920 -11.765 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.619 4.779 -8.060 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.740 3.027 -12.698 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.736 3.886 -8.993 1.00 0.00 H new ATOM 0 HH TYR A 67 11.559 3.630 -11.841 1.00 0.00 H new ATOM 1076 N LEU A 68 3.666 6.529 -10.350 1.00 0.00 N ATOM 1077 CA LEU A 68 2.224 6.872 -10.165 1.00 0.00 C ATOM 1078 C LEU A 68 1.443 5.580 -9.947 1.00 0.00 C ATOM 1079 O LEU A 68 1.592 4.630 -10.686 1.00 0.00 O ATOM 1080 CB LEU A 68 1.700 7.588 -11.415 1.00 0.00 C ATOM 1081 CG LEU A 68 0.191 7.848 -11.297 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.117 8.669 -10.039 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.283 8.616 -12.535 1.00 0.00 C ATOM 0 H LEU A 68 3.881 6.065 -11.233 1.00 0.00 H new ATOM 0 HA LEU A 68 2.104 7.530 -9.305 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.228 8.532 -11.548 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.902 6.983 -12.299 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.329 6.893 -11.226 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.191 8.843 -9.972 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.217 8.123 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.403 9.625 -10.092 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.354 8.804 -12.458 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.249 9.565 -12.600 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.081 8.025 -13.429 1.00 0.00 H new ATOM 1095 N LEU A 69 0.608 5.536 -8.942 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.193 4.304 -8.670 1.00 0.00 C ATOM 1097 C LEU A 69 -1.656 4.573 -9.009 1.00 0.00 C ATOM 1098 O LEU A 69 -2.322 5.348 -8.348 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.068 3.963 -7.188 1.00 0.00 C ATOM 1100 CG LEU A 69 1.413 3.826 -6.822 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.540 3.525 -5.328 1.00 0.00 C ATOM 1102 CD2 LEU A 69 2.051 2.688 -7.640 1.00 0.00 C ATOM 0 H LEU A 69 0.445 6.306 -8.293 1.00 0.00 H new ATOM 0 HA LEU A 69 0.171 3.474 -9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.533 4.742 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.595 3.034 -6.971 1.00 0.00 H new ATOM 0 HG LEU A 69 1.930 4.758 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.593 3.427 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.097 4.339 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.021 2.594 -5.099 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.104 2.596 -7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.538 1.751 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.963 2.910 -8.703 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.157 3.949 -10.047 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.579 4.175 -10.454 1.00 0.00 C ATOM 1116 C ARG A 70 -4.418 2.929 -10.172 1.00 0.00 C ATOM 1117 O ARG A 70 -3.933 1.812 -10.229 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.637 4.466 -11.954 1.00 0.00 C ATOM 1119 CG ARG A 70 -2.709 5.631 -12.285 1.00 0.00 C ATOM 1120 CD ARG A 70 -2.927 6.061 -13.736 1.00 0.00 C ATOM 1121 NE ARG A 70 -2.556 4.940 -14.643 1.00 0.00 N ATOM 1122 CZ ARG A 70 -2.733 5.050 -15.933 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -3.232 6.147 -16.436 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -2.412 4.060 -16.720 1.00 0.00 N ATOM 0 H ARG A 70 -1.641 3.291 -10.631 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.973 5.017 -9.885 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.342 3.581 -12.518 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.658 4.706 -12.249 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.904 6.467 -11.614 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.670 5.337 -12.134 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.969 6.340 -13.892 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.324 6.941 -13.961 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.162 4.083 -14.256 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.485 6.921 -15.822 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.369 6.230 -17.443 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.024 3.202 -16.328 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.549 4.144 -17.727 1.00 0.00 H new ATOM 1138 N SER A 71 -5.677 3.127 -9.876 1.00 0.00 N ATOM 1139 CA SER A 71 -6.597 1.985 -9.595 1.00 0.00 C ATOM 1140 C SER A 71 -6.012 1.068 -8.518 1.00 0.00 C ATOM 1141 O SER A 71 -5.833 -0.115 -8.732 1.00 0.00 O ATOM 1142 CB SER A 71 -6.844 1.189 -10.886 1.00 0.00 C ATOM 1143 OG SER A 71 -5.640 1.110 -11.634 1.00 0.00 O ATOM 0 H SER A 71 -6.113 4.047 -9.816 1.00 0.00 H new ATOM 0 HA SER A 71 -7.543 2.383 -9.228 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.201 0.188 -10.645 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.622 1.670 -11.479 1.00 0.00 H new ATOM 0 HG SER A 71 -4.887 0.956 -11.026 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.729 1.603 -7.354 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.171 0.769 -6.243 1.00 0.00 C ATOM 1151 C VAL A 72 -6.147 0.781 -5.069 1.00 0.00 C ATOM 1152 O VAL A 72 -7.082 1.560 -5.031 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.813 1.318 -5.801 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.789 1.124 -6.926 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -3.941 2.808 -5.472 1.00 0.00 C ATOM 0 H VAL A 72 -5.862 2.588 -7.125 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.033 -0.254 -6.593 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.479 0.782 -4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.822 1.516 -6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.694 0.062 -7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.122 1.656 -7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.972 3.196 -5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.278 3.348 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.664 2.942 -4.667 1.00 0.00 H new ATOM 1165 N VAL A 73 -5.937 -0.095 -4.119 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.847 -0.180 -2.938 1.00 0.00 C ATOM 1167 C VAL A 73 -6.030 -0.082 -1.649 1.00 0.00 C ATOM 1168 O VAL A 73 -4.869 -0.439 -1.599 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.606 -1.512 -2.977 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.623 -2.672 -3.149 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.394 -1.693 -1.678 1.00 0.00 C ATOM 0 H VAL A 73 -5.165 -0.762 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.561 0.643 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.295 -1.503 -3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.172 -3.613 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.072 -2.547 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.924 -2.683 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.933 -2.640 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.706 -1.693 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.105 -0.875 -1.567 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.642 0.414 -0.608 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.928 0.560 0.695 1.00 0.00 C ATOM 1183 C VAL A 74 -6.133 -0.703 1.536 1.00 0.00 C ATOM 1184 O VAL A 74 -7.235 -1.195 1.673 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.482 1.780 1.435 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.729 1.970 2.754 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.295 3.019 0.558 1.00 0.00 C ATOM 0 H VAL A 74 -7.613 0.727 -0.603 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.861 0.698 0.520 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.541 1.631 1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.126 2.839 3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.854 1.083 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.669 2.123 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.687 3.894 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.234 3.163 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.831 2.884 -0.382 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.078 -1.232 2.101 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.195 -2.465 2.939 1.00 0.00 C ATOM 1199 C GLY A 75 -5.124 -2.095 4.421 1.00 0.00 C ATOM 1200 O GLY A 75 -4.455 -1.157 4.807 1.00 0.00 O ATOM 0 H GLY A 75 -4.132 -0.860 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.136 -2.972 2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.394 -3.162 2.690 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.809 -2.829 5.257 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.786 -2.529 6.719 1.00 0.00 C ATOM 1206 C GLU A 76 -4.650 -3.314 7.375 1.00 0.00 C ATOM 1207 O GLU A 76 -4.767 -4.497 7.629 1.00 0.00 O ATOM 1208 CB GLU A 76 -7.120 -2.956 7.332 1.00 0.00 C ATOM 1209 CG GLU A 76 -7.147 -2.578 8.813 1.00 0.00 C ATOM 1210 CD GLU A 76 -8.509 -2.944 9.408 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -9.419 -3.204 8.639 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -8.616 -2.957 10.623 1.00 0.00 O ATOM 0 H GLU A 76 -6.386 -3.627 4.989 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.631 -1.462 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.944 -2.473 6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.257 -4.031 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.353 -3.100 9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.962 -1.510 8.930 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.544 -2.666 7.645 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.391 -3.375 8.273 1.00 0.00 C ATOM 1221 C TYR A 77 -2.408 -3.121 9.785 1.00 0.00 C ATOM 1222 O TYR A 77 -2.003 -2.081 10.259 1.00 0.00 O ATOM 1223 CB TYR A 77 -1.088 -2.845 7.654 1.00 0.00 C ATOM 1224 CG TYR A 77 0.037 -3.828 7.895 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -0.022 -5.106 7.324 1.00 0.00 C ATOM 1226 CD2 TYR A 77 1.134 -3.466 8.686 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.013 -6.020 7.546 1.00 0.00 C ATOM 1228 CE2 TYR A 77 2.170 -4.382 8.906 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.108 -5.659 8.337 1.00 0.00 C ATOM 1230 OH TYR A 77 3.128 -6.562 8.557 1.00 0.00 O ATOM 0 H TYR A 77 -3.391 -1.675 7.457 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.461 -4.448 8.096 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.222 -2.688 6.584 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.836 -1.878 8.089 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.867 -5.385 6.712 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.181 -2.481 9.126 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.966 -7.005 7.106 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.017 -4.103 9.515 1.00 0.00 H new ATOM 0 HH TYR A 77 3.811 -6.151 9.127 1.00 0.00 H new ATOM 1240 N ASN A 78 -2.882 -4.079 10.538 1.00 0.00 N ATOM 1241 CA ASN A 78 -2.946 -3.929 12.024 1.00 0.00 C ATOM 1242 C ASN A 78 -3.384 -2.511 12.413 1.00 0.00 C ATOM 1243 O ASN A 78 -4.481 -2.083 12.109 1.00 0.00 O ATOM 1244 CB ASN A 78 -1.573 -4.229 12.632 1.00 0.00 C ATOM 1245 CG ASN A 78 -0.491 -3.410 11.925 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -0.446 -2.202 12.043 1.00 0.00 O ATOM 1247 ND2 ASN A 78 0.393 -4.022 11.190 1.00 0.00 N ATOM 0 H ASN A 78 -3.232 -4.969 10.183 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.681 -4.635 12.410 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.580 -3.994 13.696 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.352 -5.292 12.541 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.120 -3.487 10.716 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.358 -5.036 11.089 1.00 0.00 H new ATOM 1254 N ASP A 79 -2.539 -1.786 13.097 1.00 0.00 N ATOM 1255 CA ASP A 79 -2.897 -0.402 13.523 1.00 0.00 C ATOM 1256 C ASP A 79 -2.457 0.604 12.455 1.00 0.00 C ATOM 1257 O ASP A 79 -2.908 1.733 12.435 1.00 0.00 O ATOM 1258 CB ASP A 79 -2.180 -0.081 14.836 1.00 0.00 C ATOM 1259 CG ASP A 79 -2.544 1.337 15.284 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -3.477 1.892 14.727 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -1.881 1.843 16.173 1.00 0.00 O ATOM 0 H ASP A 79 -1.610 -2.096 13.381 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.977 -0.336 13.658 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.465 -0.801 15.604 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.101 -0.166 14.704 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.566 0.214 11.577 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.079 1.156 10.521 1.00 0.00 C ATOM 1268 C ARG A 80 -1.791 0.887 9.191 1.00 0.00 C ATOM 1269 O ARG A 80 -2.257 -0.203 8.919 1.00 0.00 O ATOM 1270 CB ARG A 80 0.430 0.974 10.336 1.00 0.00 C ATOM 1271 CG ARG A 80 0.944 1.995 9.317 1.00 0.00 C ATOM 1272 CD ARG A 80 2.467 1.909 9.228 1.00 0.00 C ATOM 1273 NE ARG A 80 3.062 2.333 10.529 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.260 3.601 10.783 1.00 0.00 C ATOM 1275 NH1 ARG A 80 2.957 4.508 9.893 1.00 0.00 N ATOM 1276 NH2 ARG A 80 3.769 3.961 11.930 1.00 0.00 N ATOM 0 H ARG A 80 -1.154 -0.718 11.546 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.295 2.177 10.834 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.943 1.105 11.289 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.646 -0.038 9.994 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.501 1.803 8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.643 3.000 9.611 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.772 0.890 8.991 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.832 2.547 8.423 1.00 0.00 H new ATOM 0 HE ARG A 80 3.316 1.631 11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.564 4.229 8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.114 5.495 10.097 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.011 3.255 12.625 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.925 4.949 12.131 1.00 0.00 H new ATOM 1290 N PHE A 81 -1.877 1.884 8.355 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.551 1.709 7.038 1.00 0.00 C ATOM 1292 C PHE A 81 -1.496 1.354 5.988 1.00 0.00 C ATOM 1293 O PHE A 81 -0.345 1.728 6.102 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.238 3.018 6.653 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.400 3.261 7.586 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.606 2.579 7.389 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.273 4.163 8.650 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.685 2.799 8.253 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.352 4.384 9.514 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.559 3.702 9.315 1.00 0.00 C ATOM 0 H PHE A 81 -1.507 2.818 8.529 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.293 0.913 7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.530 3.845 6.711 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.588 2.970 5.622 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.704 1.882 6.570 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.342 4.688 8.804 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.615 2.272 8.100 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.254 5.080 10.334 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.392 3.873 9.981 1.00 0.00 H new ATOM 1310 N GLN A 82 -1.869 0.625 4.969 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.879 0.240 3.918 1.00 0.00 C ATOM 1312 C GLN A 82 -1.582 0.203 2.561 1.00 0.00 C ATOM 1313 O GLN A 82 -2.765 -0.054 2.474 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.312 -1.148 4.242 1.00 0.00 C ATOM 1315 CG GLN A 82 0.762 -1.524 3.216 1.00 0.00 C ATOM 1316 CD GLN A 82 1.281 -2.934 3.504 1.00 0.00 C ATOM 1317 OE1 GLN A 82 0.540 -3.893 3.431 1.00 0.00 O ATOM 1318 NE2 GLN A 82 2.533 -3.100 3.833 1.00 0.00 N ATOM 0 H GLN A 82 -2.817 0.279 4.818 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.066 0.965 3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.114 -1.151 5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.112 -1.889 4.233 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.348 -1.477 2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.583 -0.809 3.257 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.155 -2.294 3.894 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.889 -4.036 4.029 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.860 0.453 1.497 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.482 0.426 0.138 1.00 0.00 C ATOM 1329 C VAL A 83 -1.126 -0.894 -0.544 1.00 0.00 C ATOM 1330 O VAL A 83 0.034 -1.214 -0.723 1.00 0.00 O ATOM 1331 CB VAL A 83 -0.932 1.584 -0.695 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.765 1.736 -1.967 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -1.001 2.875 0.119 1.00 0.00 C ATOM 0 H VAL A 83 0.135 0.675 1.511 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.564 0.521 0.226 1.00 0.00 H new ATOM 0 HB VAL A 83 0.105 1.380 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.374 2.561 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.714 0.815 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.802 1.940 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.609 3.701 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.037 3.081 0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.406 2.766 1.026 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.115 -1.665 -0.926 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.848 -2.973 -1.599 1.00 0.00 C ATOM 1345 C GLN A 84 -2.202 -2.863 -3.080 1.00 0.00 C ATOM 1346 O GLN A 84 -3.288 -2.456 -3.444 1.00 0.00 O ATOM 1347 CB GLN A 84 -2.709 -4.062 -0.956 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.196 -4.345 0.455 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.046 -5.441 1.095 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -3.330 -6.446 0.472 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.459 -5.297 2.322 1.00 0.00 N ATOM 0 H GLN A 84 -3.102 -1.442 -0.799 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.794 -3.228 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.751 -3.743 -0.919 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.675 -4.971 -1.557 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.152 -4.655 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.239 -3.438 1.058 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.221 -4.454 2.845 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.021 -6.027 2.760 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.290 -3.228 -3.939 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.554 -3.155 -5.404 1.00 0.00 C ATOM 1362 C VAL A 85 -1.992 -4.533 -5.896 1.00 0.00 C ATOM 1363 O VAL A 85 -1.393 -5.536 -5.560 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.279 -2.735 -6.128 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.564 -2.619 -7.625 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.186 -1.381 -5.588 1.00 0.00 C ATOM 0 H VAL A 85 -0.365 -3.577 -3.686 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.338 -2.425 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 85 0.501 -3.479 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.345 -2.319 -8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.900 -3.583 -8.007 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.341 -1.872 -7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.097 -1.077 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.591 -0.636 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.384 -1.464 -4.519 1.00 0.00 H new ATOM 1376 N ASN A 86 -3.037 -4.593 -6.685 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.532 -5.909 -7.197 1.00 0.00 C ATOM 1378 C ASN A 86 -3.810 -5.810 -8.698 1.00 0.00 C ATOM 1379 O ASN A 86 -3.478 -4.837 -9.347 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.836 -6.271 -6.482 1.00 0.00 C ATOM 1381 CG ASN A 86 -4.664 -6.109 -4.971 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.647 -7.082 -4.242 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -4.533 -4.913 -4.464 1.00 0.00 N ATOM 0 H ASN A 86 -3.571 -3.782 -6.998 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.775 -6.671 -7.012 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.644 -5.631 -6.835 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.117 -7.298 -6.717 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.417 -4.796 -3.457 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.547 -4.096 -5.074 1.00 0.00 H new ATOM 1390 N LYS A 87 -4.430 -6.819 -9.242 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.758 -6.820 -10.695 1.00 0.00 C ATOM 1392 C LYS A 87 -5.536 -5.549 -11.052 1.00 0.00 C ATOM 1393 O LYS A 87 -6.021 -4.848 -10.189 1.00 0.00 O ATOM 1394 CB LYS A 87 -5.615 -8.058 -11.009 1.00 0.00 C ATOM 1395 CG LYS A 87 -5.493 -8.422 -12.491 1.00 0.00 C ATOM 1396 CD LYS A 87 -6.249 -9.725 -12.759 1.00 0.00 C ATOM 1397 CE LYS A 87 -6.141 -10.075 -14.243 1.00 0.00 C ATOM 1398 NZ LYS A 87 -6.892 -11.332 -14.516 1.00 0.00 N ATOM 0 H LYS A 87 -4.727 -7.653 -8.736 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.839 -6.847 -11.281 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.294 -8.898 -10.393 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.658 -7.861 -10.760 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.898 -7.620 -13.108 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.444 -8.535 -12.764 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.835 -10.531 -12.152 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.296 -9.617 -12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.541 -9.262 -14.849 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.095 -10.197 -14.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.817 -11.569 -15.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.491 -12.106 -13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.892 -11.200 -14.264 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.659 -5.258 -12.321 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.411 -4.043 -12.750 1.00 0.00 C ATOM 1414 C ASN A 88 -5.597 -2.788 -12.417 1.00 0.00 C ATOM 1415 O ASN A 88 -5.827 -1.727 -12.962 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.767 -3.998 -12.014 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.812 -3.271 -12.866 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -9.043 -2.091 -12.693 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -9.461 -3.936 -13.782 1.00 0.00 N ATOM 0 H ASN A 88 -5.268 -5.813 -13.082 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.583 -4.080 -13.826 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.105 -5.012 -11.799 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -7.652 -3.490 -11.056 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.163 -3.465 -14.353 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.267 -4.927 -13.927 1.00 0.00 H new ATOM 1426 N SER A 89 -4.655 -2.897 -11.522 1.00 0.00 N ATOM 1427 CA SER A 89 -3.841 -1.708 -11.152 1.00 0.00 C ATOM 1428 C SER A 89 -2.809 -1.421 -12.239 1.00 0.00 C ATOM 1429 O SER A 89 -2.517 -2.259 -13.069 1.00 0.00 O ATOM 1430 CB SER A 89 -3.129 -1.975 -9.827 1.00 0.00 C ATOM 1431 OG SER A 89 -1.957 -2.742 -10.067 1.00 0.00 O ATOM 0 H SER A 89 -4.414 -3.758 -11.031 1.00 0.00 H new ATOM 0 HA SER A 89 -4.496 -0.843 -11.049 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.868 -1.033 -9.345 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.793 -2.508 -9.146 1.00 0.00 H new ATOM 0 HG SER A 89 -2.138 -3.685 -9.872 1.00 0.00 H new ATOM 1437 N SER A 90 -2.255 -0.238 -12.246 1.00 0.00 N ATOM 1438 CA SER A 90 -1.239 0.110 -13.285 1.00 0.00 C ATOM 1439 C SER A 90 -0.190 1.030 -12.665 1.00 0.00 C ATOM 1440 O SER A 90 -0.384 1.576 -11.595 1.00 0.00 O ATOM 1441 CB SER A 90 -1.921 0.823 -14.448 1.00 0.00 C ATOM 1442 OG SER A 90 -2.372 2.097 -14.015 1.00 0.00 O ATOM 0 H SER A 90 -2.461 0.504 -11.577 1.00 0.00 H new ATOM 0 HA SER A 90 -0.762 -0.798 -13.653 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.226 0.934 -15.280 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.761 0.231 -14.811 1.00 0.00 H new ATOM 0 HG SER A 90 -3.089 2.409 -14.606 1.00 0.00 H new ATOM 1448 N ILE A 91 0.920 1.219 -13.335 1.00 0.00 N ATOM 1449 CA ILE A 91 1.992 2.111 -12.796 1.00 0.00 C ATOM 1450 C ILE A 91 2.575 2.953 -13.934 1.00 0.00 C ATOM 1451 O ILE A 91 2.910 2.437 -14.983 1.00 0.00 O ATOM 1452 CB ILE A 91 3.108 1.261 -12.181 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.562 0.507 -10.964 1.00 0.00 C ATOM 1454 CG2 ILE A 91 4.264 2.169 -11.751 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.596 -0.507 -10.481 1.00 0.00 C ATOM 0 H ILE A 91 1.130 0.791 -14.237 1.00 0.00 H new ATOM 0 HA ILE A 91 1.566 2.764 -12.034 1.00 0.00 H new ATOM 0 HB ILE A 91 3.469 0.544 -12.918 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.326 1.209 -10.165 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.634 -0.002 -11.225 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.058 1.564 -11.313 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.651 2.702 -12.620 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.907 2.888 -11.014 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.205 -1.042 -9.615 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.810 -1.217 -11.280 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.513 0.013 -10.202 1.00 0.00 H new ATOM 1467 N GLU A 92 2.704 4.246 -13.737 1.00 0.00 N ATOM 1468 CA GLU A 92 3.276 5.127 -14.807 1.00 0.00 C ATOM 1469 C GLU A 92 4.413 5.959 -14.209 1.00 0.00 C ATOM 1470 O GLU A 92 4.277 6.561 -13.161 1.00 0.00 O ATOM 1471 CB GLU A 92 2.189 6.066 -15.339 1.00 0.00 C ATOM 1472 CG GLU A 92 1.002 5.239 -15.822 1.00 0.00 C ATOM 1473 CD GLU A 92 -0.082 6.169 -16.366 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -0.345 7.176 -15.728 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -0.628 5.863 -17.413 1.00 0.00 O ATOM 0 H GLU A 92 2.437 4.729 -12.879 1.00 0.00 H new ATOM 0 HA GLU A 92 3.652 4.512 -15.625 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.872 6.755 -14.556 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.582 6.671 -16.156 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.322 4.544 -16.598 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.605 4.641 -15.002 1.00 0.00 H new ATOM 1482 N LYS A 93 5.538 5.985 -14.868 1.00 0.00 N ATOM 1483 CA LYS A 93 6.702 6.764 -14.353 1.00 0.00 C ATOM 1484 C LYS A 93 6.409 8.258 -14.464 1.00 0.00 C ATOM 1485 O LYS A 93 5.887 8.722 -15.458 1.00 0.00 O ATOM 1486 CB LYS A 93 7.942 6.421 -15.178 1.00 0.00 C ATOM 1487 CG LYS A 93 9.176 7.075 -14.556 1.00 0.00 C ATOM 1488 CD LYS A 93 10.424 6.620 -15.318 1.00 0.00 C ATOM 1489 CE LYS A 93 11.670 7.239 -14.684 1.00 0.00 C ATOM 1490 NZ LYS A 93 11.577 8.725 -14.748 1.00 0.00 N ATOM 0 H LYS A 93 5.703 5.497 -15.748 1.00 0.00 H new ATOM 0 HA LYS A 93 6.877 6.510 -13.308 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.074 5.340 -15.220 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.814 6.766 -16.204 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.086 8.161 -14.596 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.257 6.800 -13.504 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.497 5.533 -15.299 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.351 6.917 -16.364 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.763 6.915 -13.648 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.564 6.898 -15.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.524 9.138 -14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.193 9.009 -15.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.949 9.066 -13.992 1.00 0.00 H new ATOM 1504 N LEU A 94 6.741 9.017 -13.450 1.00 0.00 N ATOM 1505 CA LEU A 94 6.480 10.490 -13.488 1.00 0.00 C ATOM 1506 C LEU A 94 7.743 11.239 -13.915 1.00 0.00 C ATOM 1507 O LEU A 94 8.837 10.972 -13.454 1.00 0.00 O ATOM 1508 CB LEU A 94 6.011 10.960 -12.090 1.00 0.00 C ATOM 1509 CG LEU A 94 4.612 11.608 -12.179 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.669 12.860 -13.086 1.00 0.00 C ATOM 1511 CD2 LEU A 94 3.584 10.581 -12.722 1.00 0.00 C ATOM 0 H LEU A 94 7.183 8.680 -12.595 1.00 0.00 H new ATOM 0 HA LEU A 94 5.698 10.704 -14.216 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.983 10.112 -11.405 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.725 11.676 -11.682 1.00 0.00 H new ATOM 0 HG LEU A 94 4.295 11.917 -11.183 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.679 13.312 -13.145 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.373 13.580 -12.668 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.995 12.571 -14.085 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.600 11.047 -12.781 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.889 10.251 -13.715 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.539 9.722 -12.052 1.00 0.00 H new ATOM 1523 N SER A 95 7.583 12.180 -14.798 1.00 0.00 N ATOM 1524 CA SER A 95 8.743 12.967 -15.276 1.00 0.00 C ATOM 1525 C SER A 95 9.041 14.077 -14.279 1.00 0.00 C ATOM 1526 O SER A 95 10.012 14.790 -14.420 1.00 0.00 O ATOM 1527 CB SER A 95 8.414 13.591 -16.630 1.00 0.00 C ATOM 1528 OG SER A 95 7.784 12.622 -17.453 1.00 0.00 O ATOM 0 H SER A 95 6.687 12.439 -15.212 1.00 0.00 H new ATOM 0 HA SER A 95 9.609 12.312 -15.374 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.760 14.452 -16.497 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.325 13.953 -17.107 1.00 0.00 H new ATOM 0 HG SER A 95 7.570 13.020 -18.322 1.00 0.00 H new ATOM 1534 N GLU A 96 8.209 14.246 -13.272 1.00 0.00 N ATOM 1535 CA GLU A 96 8.448 15.328 -12.265 1.00 0.00 C ATOM 1536 C GLU A 96 8.563 14.706 -10.856 1.00 0.00 C ATOM 1537 O GLU A 96 7.632 14.081 -10.384 1.00 0.00 O ATOM 1538 CB GLU A 96 7.271 16.306 -12.285 1.00 0.00 C ATOM 1539 CG GLU A 96 7.668 17.581 -11.539 1.00 0.00 C ATOM 1540 CD GLU A 96 6.475 18.529 -11.480 1.00 0.00 C ATOM 1541 OE1 GLU A 96 5.498 18.258 -12.155 1.00 0.00 O ATOM 1542 OE2 GLU A 96 6.559 19.512 -10.761 1.00 0.00 O ATOM 0 H GLU A 96 7.377 13.680 -13.107 1.00 0.00 H new ATOM 0 HA GLU A 96 9.371 15.853 -12.510 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.995 16.542 -13.313 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.397 15.853 -11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.001 17.336 -10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.505 18.064 -12.043 1.00 0.00 H new ATOM 1549 N PRO A 97 9.683 14.873 -10.177 1.00 0.00 N ATOM 1550 CA PRO A 97 9.883 14.311 -8.809 1.00 0.00 C ATOM 1551 C PRO A 97 9.136 15.116 -7.739 1.00 0.00 C ATOM 1552 O PRO A 97 8.747 16.249 -7.952 1.00 0.00 O ATOM 1553 CB PRO A 97 11.402 14.371 -8.609 1.00 0.00 C ATOM 1554 CG PRO A 97 11.855 15.522 -9.448 1.00 0.00 C ATOM 1555 CD PRO A 97 10.878 15.612 -10.629 1.00 0.00 C ATOM 0 HA PRO A 97 9.486 13.300 -8.714 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.657 14.522 -7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.879 13.442 -8.922 1.00 0.00 H new ATOM 0 HG2 PRO A 97 11.853 16.447 -8.871 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.875 15.368 -9.799 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.637 16.648 -10.867 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.302 15.168 -11.530 1.00 0.00 H new ATOM 1563 N ILE A 98 8.929 14.526 -6.592 1.00 0.00 N ATOM 1564 CA ILE A 98 8.201 15.219 -5.489 1.00 0.00 C ATOM 1565 C ILE A 98 9.221 15.805 -4.509 1.00 0.00 C ATOM 1566 O ILE A 98 10.327 15.317 -4.378 1.00 0.00 O ATOM 1567 CB ILE A 98 7.282 14.202 -4.762 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.883 12.777 -4.876 1.00 0.00 C ATOM 1569 CG2 ILE A 98 5.869 14.228 -5.369 1.00 0.00 C ATOM 1570 CD1 ILE A 98 7.446 12.096 -6.188 1.00 0.00 C ATOM 0 H ILE A 98 9.238 13.580 -6.370 1.00 0.00 H new ATOM 0 HA ILE A 98 7.587 16.024 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 98 7.213 14.479 -3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.971 12.833 -4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.563 12.175 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 98 5.236 13.509 -4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.446 15.227 -5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.922 13.966 -6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 98 7.881 11.098 -6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.359 12.020 -6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.788 12.688 -7.037 1.00 0.00 H new ATOM 1582 N GLU A 99 8.855 16.858 -3.832 1.00 0.00 N ATOM 1583 CA GLU A 99 9.791 17.492 -2.864 1.00 0.00 C ATOM 1584 C GLU A 99 10.423 16.426 -1.975 1.00 0.00 C ATOM 1585 O GLU A 99 11.512 15.966 -2.236 1.00 0.00 O ATOM 1586 CB GLU A 99 9.023 18.477 -1.986 1.00 0.00 C ATOM 1587 CG GLU A 99 8.589 19.674 -2.826 1.00 0.00 C ATOM 1588 CD GLU A 99 7.739 20.617 -1.972 1.00 0.00 C ATOM 1589 OE1 GLU A 99 7.551 20.319 -0.803 1.00 0.00 O ATOM 1590 OE2 GLU A 99 7.290 21.621 -2.500 1.00 0.00 O ATOM 0 H GLU A 99 7.943 17.308 -3.909 1.00 0.00 H new ATOM 0 HA GLU A 99 10.572 18.014 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.151 17.989 -1.550 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.650 18.808 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.464 20.201 -3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.019 19.337 -3.691 1.00 0.00 H new