USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 720 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 33 TYR OH : rot 110:sc= 0.0133 USER MOD Set 1.2: A 37 ASN : amide:sc= -0.289 X(o=-0.27,f=-0.26) USER MOD Set 1.3: A 70 TYR OH : rot 180:sc= 0.00819 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -135:sc= 0.0111 (180deg=0) USER MOD Set 2.2: A 27 THR OG1 : rot -125:sc= 0.183 USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.00577 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 44:sc= 0.575 USER MOD Single : A 8 ASN : amide:sc= -0.0475 X(o=-0.047,f=-0.51) USER MOD Single : A 10 GLN : amide:sc= -0.0233 K(o=-0.023,f=-1.2!) USER MOD Single : A 12 SER OG : rot 3:sc= 1.13 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 151:sc= -0.951 (180deg=-3.1!) USER MOD Single : A 34 THR OG1 : rot 150:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= -6.22! C(o=-7.3!,f=-6.2!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -147:sc= 0.00677 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.069 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 170:sc= 1.14 (180deg=0.888) USER MOD Single : A 54 GLN :FLIP amide:sc= -7.35! C(o=-9.9!,f=-7.4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0467 USER MOD Single : A 65 GLN : amide:sc= -0.946 X(o=-0.95,f=-0.98) USER MOD Single : A 72 GLN : amide:sc= 0.723 K(o=0.72,f=-0.023) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.667 K(o=0.67,f=-1.9!) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.0192 F(o=-1.2,f=-0.019) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.909 X(o=-0.91,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.510 12.509 -6.565 1.00 0.00 N ATOM 2 CA GLY A 1 20.442 11.548 -6.773 1.00 0.00 C ATOM 3 C GLY A 1 20.178 11.283 -8.242 1.00 0.00 C ATOM 4 O GLY A 1 20.197 12.204 -9.059 1.00 0.00 O ATOM 0 H1 GLY A 1 21.289 13.101 -5.739 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.404 12.004 -6.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.603 13.112 -7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.699 10.611 -6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.530 11.916 -6.304 1.00 0.00 H new ATOM 8 N SER A 2 19.934 10.021 -8.580 1.00 0.00 N ATOM 9 CA SER A 2 19.671 9.637 -9.961 1.00 0.00 C ATOM 10 C SER A 2 18.906 8.318 -10.022 1.00 0.00 C ATOM 11 O SER A 2 19.221 7.371 -9.301 1.00 0.00 O ATOM 12 CB SER A 2 20.983 9.515 -10.738 1.00 0.00 C ATOM 13 OG SER A 2 21.671 8.325 -10.393 1.00 0.00 O ATOM 0 H SER A 2 19.913 9.247 -7.916 1.00 0.00 H new ATOM 0 HA SER A 2 19.058 10.414 -10.417 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.777 9.523 -11.808 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.615 10.378 -10.529 1.00 0.00 H new ATOM 0 HG SER A 2 22.505 8.270 -10.904 1.00 0.00 H new ATOM 19 N SER A 3 17.900 8.264 -10.889 1.00 0.00 N ATOM 20 CA SER A 3 17.087 7.063 -11.042 1.00 0.00 C ATOM 21 C SER A 3 16.585 6.927 -12.477 1.00 0.00 C ATOM 22 O SER A 3 16.328 7.921 -13.154 1.00 0.00 O ATOM 23 CB SER A 3 15.901 7.098 -10.076 1.00 0.00 C ATOM 24 OG SER A 3 14.926 8.036 -10.498 1.00 0.00 O ATOM 0 H SER A 3 17.628 9.037 -11.496 1.00 0.00 H new ATOM 0 HA SER A 3 17.710 6.199 -10.810 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.452 6.107 -10.011 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.250 7.357 -9.076 1.00 0.00 H new ATOM 0 HG SER A 3 14.178 8.038 -9.865 1.00 0.00 H new ATOM 30 N GLY A 4 16.448 5.686 -12.933 1.00 0.00 N ATOM 31 CA GLY A 4 15.978 5.440 -14.284 1.00 0.00 C ATOM 32 C GLY A 4 15.674 3.976 -14.536 1.00 0.00 C ATOM 33 O GLY A 4 16.390 3.306 -15.280 1.00 0.00 O ATOM 0 H GLY A 4 16.654 4.847 -12.391 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.080 6.031 -14.466 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.732 5.779 -14.995 1.00 0.00 H new ATOM 37 N SER A 5 14.611 3.478 -13.912 1.00 0.00 N ATOM 38 CA SER A 5 14.218 2.082 -14.068 1.00 0.00 C ATOM 39 C SER A 5 12.725 1.968 -14.358 1.00 0.00 C ATOM 40 O SER A 5 11.939 2.837 -13.980 1.00 0.00 O ATOM 41 CB SER A 5 14.567 1.289 -12.807 1.00 0.00 C ATOM 42 OG SER A 5 14.037 1.912 -11.650 1.00 0.00 O ATOM 0 H SER A 5 14.007 4.020 -13.294 1.00 0.00 H new ATOM 0 HA SER A 5 14.767 1.667 -14.913 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.174 0.276 -12.891 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.650 1.205 -12.715 1.00 0.00 H new ATOM 0 HG SER A 5 14.272 1.385 -10.858 1.00 0.00 H new ATOM 48 N SER A 6 12.341 0.889 -15.033 1.00 0.00 N ATOM 49 CA SER A 6 10.943 0.661 -15.378 1.00 0.00 C ATOM 50 C SER A 6 10.519 -0.760 -15.018 1.00 0.00 C ATOM 51 O SER A 6 10.735 -1.698 -15.785 1.00 0.00 O ATOM 52 CB SER A 6 10.717 0.909 -16.871 1.00 0.00 C ATOM 53 OG SER A 6 11.592 0.119 -17.657 1.00 0.00 O ATOM 0 H SER A 6 12.979 0.159 -15.352 1.00 0.00 H new ATOM 0 HA SER A 6 10.335 1.360 -14.804 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.683 0.678 -17.129 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.874 1.964 -17.095 1.00 0.00 H new ATOM 0 HG SER A 6 11.619 -0.793 -17.300 1.00 0.00 H new ATOM 59 N GLY A 7 9.913 -0.911 -13.844 1.00 0.00 N ATOM 60 CA GLY A 7 9.469 -2.219 -13.401 1.00 0.00 C ATOM 61 C GLY A 7 8.168 -2.641 -14.055 1.00 0.00 C ATOM 62 O GLY A 7 7.749 -2.056 -15.053 1.00 0.00 O ATOM 0 H GLY A 7 9.722 -0.150 -13.192 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.240 -2.956 -13.624 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.342 -2.209 -12.319 1.00 0.00 H new ATOM 66 N ASN A 8 7.528 -3.662 -13.493 1.00 0.00 N ATOM 67 CA ASN A 8 6.268 -4.163 -14.030 1.00 0.00 C ATOM 68 C ASN A 8 5.085 -3.634 -13.225 1.00 0.00 C ATOM 69 O ASN A 8 5.015 -3.818 -12.010 1.00 0.00 O ATOM 70 CB ASN A 8 6.260 -5.693 -14.023 1.00 0.00 C ATOM 71 CG ASN A 8 7.435 -6.281 -14.782 1.00 0.00 C ATOM 72 OD1 ASN A 8 8.581 -6.189 -14.342 1.00 0.00 O ATOM 73 ND2 ASN A 8 7.153 -6.889 -15.928 1.00 0.00 N ATOM 0 H ASN A 8 7.861 -4.158 -12.666 1.00 0.00 H new ATOM 0 HA ASN A 8 6.173 -3.810 -15.057 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.281 -6.049 -12.993 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.330 -6.051 -14.465 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.902 -7.304 -16.483 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.188 -6.941 -16.254 1.00 0.00 H new ATOM 80 N ALA A 9 4.157 -2.976 -13.911 1.00 0.00 N ATOM 81 CA ALA A 9 2.976 -2.422 -13.262 1.00 0.00 C ATOM 82 C ALA A 9 1.867 -3.464 -13.158 1.00 0.00 C ATOM 83 O ALA A 9 0.695 -3.160 -13.380 1.00 0.00 O ATOM 84 CB ALA A 9 2.483 -1.197 -14.018 1.00 0.00 C ATOM 0 H ALA A 9 4.200 -2.814 -14.917 1.00 0.00 H new ATOM 0 HA ALA A 9 3.254 -2.123 -12.251 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.600 -0.794 -13.522 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.267 -0.440 -14.035 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.228 -1.478 -15.040 1.00 0.00 H new ATOM 90 N GLN A 10 2.245 -4.692 -12.821 1.00 0.00 N ATOM 91 CA GLN A 10 1.282 -5.779 -12.690 1.00 0.00 C ATOM 92 C GLN A 10 0.432 -5.605 -11.435 1.00 0.00 C ATOM 93 O GLN A 10 0.958 -5.397 -10.341 1.00 0.00 O ATOM 94 CB GLN A 10 2.004 -7.127 -12.648 1.00 0.00 C ATOM 95 CG GLN A 10 1.070 -8.312 -12.463 1.00 0.00 C ATOM 96 CD GLN A 10 0.326 -8.672 -13.734 1.00 0.00 C ATOM 97 OE1 GLN A 10 0.810 -8.430 -14.840 1.00 0.00 O ATOM 98 NE2 GLN A 10 -0.858 -9.254 -13.582 1.00 0.00 N ATOM 0 H GLN A 10 3.211 -4.960 -12.634 1.00 0.00 H new ATOM 0 HA GLN A 10 0.624 -5.754 -13.559 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.565 -7.258 -13.573 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.729 -7.116 -11.834 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.646 -9.174 -12.127 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.350 -8.083 -11.677 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.221 -9.436 -12.646 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.405 -9.519 -14.401 1.00 0.00 H new ATOM 107 N ARG A 11 -0.883 -5.690 -11.601 1.00 0.00 N ATOM 108 CA ARG A 11 -1.806 -5.540 -10.482 1.00 0.00 C ATOM 109 C ARG A 11 -2.061 -6.883 -9.804 1.00 0.00 C ATOM 110 O ARG A 11 -2.390 -7.870 -10.463 1.00 0.00 O ATOM 111 CB ARG A 11 -3.129 -4.939 -10.961 1.00 0.00 C ATOM 112 CG ARG A 11 -4.132 -4.708 -9.843 1.00 0.00 C ATOM 113 CD ARG A 11 -5.563 -4.786 -10.354 1.00 0.00 C ATOM 114 NE ARG A 11 -6.037 -6.165 -10.444 1.00 0.00 N ATOM 115 CZ ARG A 11 -7.322 -6.500 -10.463 1.00 0.00 C ATOM 116 NH1 ARG A 11 -8.256 -5.562 -10.398 1.00 0.00 N ATOM 117 NH2 ARG A 11 -7.675 -7.777 -10.547 1.00 0.00 N ATOM 0 H ARG A 11 -1.334 -5.862 -12.500 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.351 -4.866 -9.756 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.928 -3.991 -11.460 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.572 -5.602 -11.704 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.983 -5.451 -9.060 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.958 -3.731 -9.393 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.217 -4.221 -9.690 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.623 -4.317 -11.336 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.343 -6.911 -10.495 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.989 -4.580 -10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.242 -5.822 -10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.959 -8.502 -10.597 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.662 -8.033 -10.562 1.00 0.00 H new ATOM 131 N SER A 12 -1.906 -6.913 -8.484 1.00 0.00 N ATOM 132 CA SER A 12 -2.116 -8.136 -7.717 1.00 0.00 C ATOM 133 C SER A 12 -2.306 -7.822 -6.237 1.00 0.00 C ATOM 134 O SER A 12 -1.948 -6.742 -5.767 1.00 0.00 O ATOM 135 CB SER A 12 -0.931 -9.087 -7.901 1.00 0.00 C ATOM 136 OG SER A 12 -0.965 -9.704 -9.176 1.00 0.00 O ATOM 0 H SER A 12 -1.636 -6.105 -7.923 1.00 0.00 H new ATOM 0 HA SER A 12 -3.021 -8.618 -8.087 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.003 -8.536 -7.785 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.949 -9.851 -7.123 1.00 0.00 H new ATOM 0 HG SER A 12 -1.717 -9.347 -9.692 1.00 0.00 H new ATOM 142 N THR A 13 -2.874 -8.776 -5.504 1.00 0.00 N ATOM 143 CA THR A 13 -3.114 -8.603 -4.077 1.00 0.00 C ATOM 144 C THR A 13 -1.940 -9.122 -3.255 1.00 0.00 C ATOM 145 O THR A 13 -1.561 -8.523 -2.248 1.00 0.00 O ATOM 146 CB THR A 13 -4.398 -9.327 -3.632 1.00 0.00 C ATOM 147 OG1 THR A 13 -4.209 -10.745 -3.697 1.00 0.00 O ATOM 148 CG2 THR A 13 -5.577 -8.928 -4.508 1.00 0.00 C ATOM 0 H THR A 13 -3.176 -9.676 -5.876 1.00 0.00 H new ATOM 0 HA THR A 13 -3.230 -7.533 -3.903 1.00 0.00 H new ATOM 0 HB THR A 13 -4.614 -9.036 -2.604 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.030 -11.198 -3.411 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.472 -9.452 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.738 -7.852 -4.434 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.367 -9.193 -5.544 1.00 0.00 H new ATOM 156 N LEU A 14 -1.367 -10.239 -3.691 1.00 0.00 N ATOM 157 CA LEU A 14 -0.234 -10.839 -2.995 1.00 0.00 C ATOM 158 C LEU A 14 0.766 -9.772 -2.562 1.00 0.00 C ATOM 159 O LEU A 14 1.470 -9.933 -1.565 1.00 0.00 O ATOM 160 CB LEU A 14 0.455 -11.867 -3.894 1.00 0.00 C ATOM 161 CG LEU A 14 -0.460 -12.883 -4.576 1.00 0.00 C ATOM 162 CD1 LEU A 14 0.354 -13.859 -5.412 1.00 0.00 C ATOM 163 CD2 LEU A 14 -1.293 -13.629 -3.544 1.00 0.00 C ATOM 0 H LEU A 14 -1.668 -10.747 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.610 -11.340 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.009 -11.332 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.186 -12.411 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.137 -12.344 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.315 -14.575 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.905 -13.311 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.056 -14.391 -4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.938 -14.348 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.633 -14.155 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.906 -12.919 -2.989 1.00 0.00 H new ATOM 175 N LYS A 15 0.823 -8.681 -3.318 1.00 0.00 N ATOM 176 CA LYS A 15 1.735 -7.585 -3.012 1.00 0.00 C ATOM 177 C LYS A 15 1.161 -6.689 -1.918 1.00 0.00 C ATOM 178 O LYS A 15 1.833 -6.394 -0.929 1.00 0.00 O ATOM 179 CB LYS A 15 2.011 -6.758 -4.269 1.00 0.00 C ATOM 180 CG LYS A 15 2.918 -5.564 -4.026 1.00 0.00 C ATOM 181 CD LYS A 15 3.706 -5.199 -5.272 1.00 0.00 C ATOM 182 CE LYS A 15 4.148 -3.743 -5.246 1.00 0.00 C ATOM 183 NZ LYS A 15 5.316 -3.535 -4.347 1.00 0.00 N ATOM 0 H LYS A 15 0.248 -8.532 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 15 2.671 -8.014 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.465 -7.400 -5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.064 -6.406 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.319 -4.710 -3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.607 -5.789 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.581 -5.844 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.094 -5.379 -6.156 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.405 -3.423 -6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.319 -3.117 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.158 -2.690 -3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.433 -4.365 -3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.175 -3.404 -4.918 1.00 0.00 H new ATOM 197 N TRP A 16 -0.083 -6.263 -2.101 1.00 0.00 N ATOM 198 CA TRP A 16 -0.747 -5.403 -1.128 1.00 0.00 C ATOM 199 C TRP A 16 -0.478 -5.881 0.294 1.00 0.00 C ATOM 200 O TRP A 16 -0.152 -5.086 1.175 1.00 0.00 O ATOM 201 CB TRP A 16 -2.253 -5.367 -1.392 1.00 0.00 C ATOM 202 CG TRP A 16 -2.631 -4.512 -2.563 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.816 -4.113 -3.583 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.920 -3.951 -2.834 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.520 -3.336 -4.472 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.814 -3.223 -4.035 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.154 -3.994 -2.180 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.894 -2.544 -4.592 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.226 -3.319 -2.733 1.00 0.00 C ATOM 210 CH2 TRP A 16 -6.090 -2.603 -3.930 1.00 0.00 C ATOM 0 H TRP A 16 -0.652 -6.499 -2.914 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.343 -4.396 -1.235 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.609 -6.383 -1.563 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.762 -4.997 -0.502 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.771 -4.370 -3.678 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.141 -2.913 -5.319 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.268 -4.545 -1.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.792 -1.990 -5.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.184 -3.344 -2.235 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.947 -2.087 -4.338 1.00 0.00 H new ATOM 221 N GLU A 17 -0.618 -7.185 0.512 1.00 0.00 N ATOM 222 CA GLU A 17 -0.390 -7.768 1.829 1.00 0.00 C ATOM 223 C GLU A 17 0.960 -7.331 2.391 1.00 0.00 C ATOM 224 O GLU A 17 1.095 -7.082 3.590 1.00 0.00 O ATOM 225 CB GLU A 17 -0.453 -9.295 1.753 1.00 0.00 C ATOM 226 CG GLU A 17 -0.044 -9.986 3.044 1.00 0.00 C ATOM 227 CD GLU A 17 1.455 -9.955 3.272 1.00 0.00 C ATOM 228 OE1 GLU A 17 2.194 -10.513 2.434 1.00 0.00 O ATOM 229 OE2 GLU A 17 1.889 -9.373 4.288 1.00 0.00 O ATOM 0 H GLU A 17 -0.888 -7.857 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.175 -7.412 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.468 -9.596 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.195 -9.637 0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.546 -9.505 3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.383 -11.022 3.021 1.00 0.00 H new ATOM 236 N LYS A 18 1.956 -7.240 1.518 1.00 0.00 N ATOM 237 CA LYS A 18 3.296 -6.833 1.924 1.00 0.00 C ATOM 238 C LYS A 18 3.310 -5.373 2.367 1.00 0.00 C ATOM 239 O LYS A 18 3.834 -5.043 3.431 1.00 0.00 O ATOM 240 CB LYS A 18 4.285 -7.037 0.774 1.00 0.00 C ATOM 241 CG LYS A 18 4.607 -8.496 0.502 1.00 0.00 C ATOM 242 CD LYS A 18 5.426 -8.659 -0.768 1.00 0.00 C ATOM 243 CE LYS A 18 6.897 -8.360 -0.525 1.00 0.00 C ATOM 244 NZ LYS A 18 7.626 -9.548 0.000 1.00 0.00 N ATOM 0 H LYS A 18 1.861 -7.443 0.523 1.00 0.00 H new ATOM 0 HA LYS A 18 3.597 -7.454 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.875 -6.589 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.209 -6.506 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.157 -8.912 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.681 -9.064 0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.318 -9.676 -1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.041 -7.992 -1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.360 -8.033 -1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.988 -7.536 0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.625 -9.303 0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.201 -9.846 0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.561 -10.326 -0.687 1.00 0.00 H new ATOM 258 N GLU A 19 2.730 -4.504 1.545 1.00 0.00 N ATOM 259 CA GLU A 19 2.677 -3.080 1.854 1.00 0.00 C ATOM 260 C GLU A 19 1.796 -2.821 3.072 1.00 0.00 C ATOM 261 O GLU A 19 1.956 -1.815 3.763 1.00 0.00 O ATOM 262 CB GLU A 19 2.148 -2.295 0.652 1.00 0.00 C ATOM 263 CG GLU A 19 2.944 -2.522 -0.622 1.00 0.00 C ATOM 264 CD GLU A 19 4.400 -2.846 -0.349 1.00 0.00 C ATOM 265 OE1 GLU A 19 5.207 -1.900 -0.232 1.00 0.00 O ATOM 266 OE2 GLU A 19 4.732 -4.046 -0.254 1.00 0.00 O ATOM 0 H GLU A 19 2.291 -4.761 0.661 1.00 0.00 H new ATOM 0 HA GLU A 19 3.689 -2.745 2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.109 -2.574 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.157 -1.232 0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.494 -3.338 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.885 -1.631 -1.247 1.00 0.00 H new ATOM 273 N GLU A 20 0.865 -3.735 3.328 1.00 0.00 N ATOM 274 CA GLU A 20 -0.042 -3.604 4.462 1.00 0.00 C ATOM 275 C GLU A 20 0.731 -3.585 5.778 1.00 0.00 C ATOM 276 O GLU A 20 0.280 -3.007 6.766 1.00 0.00 O ATOM 277 CB GLU A 20 -1.054 -4.752 4.469 1.00 0.00 C ATOM 278 CG GLU A 20 -2.328 -4.444 3.701 1.00 0.00 C ATOM 279 CD GLU A 20 -3.232 -3.473 4.435 1.00 0.00 C ATOM 280 OE1 GLU A 20 -3.971 -3.918 5.338 1.00 0.00 O ATOM 281 OE2 GLU A 20 -3.200 -2.268 4.107 1.00 0.00 O ATOM 0 H GLU A 20 0.719 -4.573 2.766 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.576 -2.659 4.360 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.587 -5.639 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.311 -4.993 5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.069 -4.028 2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.870 -5.372 3.518 1.00 0.00 H new ATOM 288 N ALA A 21 1.897 -4.223 5.782 1.00 0.00 N ATOM 289 CA ALA A 21 2.734 -4.278 6.974 1.00 0.00 C ATOM 290 C ALA A 21 3.530 -2.989 7.146 1.00 0.00 C ATOM 291 O ALA A 21 3.901 -2.621 8.262 1.00 0.00 O ATOM 292 CB ALA A 21 3.671 -5.474 6.906 1.00 0.00 C ATOM 0 H ALA A 21 2.283 -4.709 4.973 1.00 0.00 H new ATOM 0 HA ALA A 21 2.082 -4.390 7.840 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.290 -5.503 7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.086 -6.391 6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.309 -5.386 6.027 1.00 0.00 H new ATOM 298 N LEU A 22 3.790 -2.307 6.037 1.00 0.00 N ATOM 299 CA LEU A 22 4.543 -1.058 6.065 1.00 0.00 C ATOM 300 C LEU A 22 3.653 0.106 6.489 1.00 0.00 C ATOM 301 O LEU A 22 4.142 1.171 6.862 1.00 0.00 O ATOM 302 CB LEU A 22 5.151 -0.775 4.690 1.00 0.00 C ATOM 303 CG LEU A 22 5.929 -1.925 4.050 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.908 -1.806 2.534 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.361 -1.952 4.566 1.00 0.00 C ATOM 0 H LEU A 22 3.490 -2.598 5.106 1.00 0.00 H new ATOM 0 HA LEU A 22 5.345 -1.163 6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.348 -0.485 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.818 0.083 4.779 1.00 0.00 H new ATOM 0 HG LEU A 22 5.447 -2.863 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.467 -2.633 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.877 -1.837 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.365 -0.862 2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.900 -2.777 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.854 -1.011 4.320 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.356 -2.087 5.648 1.00 0.00 H new ATOM 317 N GLY A 23 2.341 -0.107 6.431 1.00 0.00 N ATOM 318 CA GLY A 23 1.404 0.932 6.814 1.00 0.00 C ATOM 319 C GLY A 23 1.652 2.236 6.082 1.00 0.00 C ATOM 320 O GLY A 23 1.467 2.318 4.869 1.00 0.00 O ATOM 0 H GLY A 23 1.911 -0.980 6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.388 0.593 6.612 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.475 1.103 7.888 1.00 0.00 H new ATOM 324 N GLU A 24 2.072 3.258 6.822 1.00 0.00 N ATOM 325 CA GLU A 24 2.343 4.565 6.235 1.00 0.00 C ATOM 326 C GLU A 24 3.429 4.467 5.168 1.00 0.00 C ATOM 327 O GLU A 24 3.565 5.351 4.323 1.00 0.00 O ATOM 328 CB GLU A 24 2.766 5.558 7.319 1.00 0.00 C ATOM 329 CG GLU A 24 1.669 5.865 8.325 1.00 0.00 C ATOM 330 CD GLU A 24 2.171 6.667 9.510 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.871 7.677 9.287 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.865 6.285 10.658 1.00 0.00 O ATOM 0 H GLU A 24 2.232 3.206 7.828 1.00 0.00 H new ATOM 0 HA GLU A 24 1.426 4.921 5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.631 5.159 7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.083 6.487 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.871 6.418 7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.236 4.930 8.681 1.00 0.00 H new ATOM 339 N MET A 25 4.201 3.386 5.215 1.00 0.00 N ATOM 340 CA MET A 25 5.275 3.171 4.252 1.00 0.00 C ATOM 341 C MET A 25 4.794 2.322 3.080 1.00 0.00 C ATOM 342 O MET A 25 5.595 1.841 2.279 1.00 0.00 O ATOM 343 CB MET A 25 6.469 2.496 4.930 1.00 0.00 C ATOM 344 CG MET A 25 7.470 3.478 5.518 1.00 0.00 C ATOM 345 SD MET A 25 9.157 2.843 5.502 1.00 0.00 S ATOM 346 CE MET A 25 9.360 2.461 3.764 1.00 0.00 C ATOM 0 H MET A 25 4.103 2.645 5.910 1.00 0.00 H new ATOM 0 HA MET A 25 5.585 4.143 3.869 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.105 1.843 5.723 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.978 1.862 4.204 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.432 4.411 4.955 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.184 3.712 6.543 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.411 2.558 3.490 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.029 1.440 3.575 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.764 3.152 3.168 1.00 0.00 H new ATOM 356 N ALA A 26 3.480 2.141 2.987 1.00 0.00 N ATOM 357 CA ALA A 26 2.893 1.351 1.912 1.00 0.00 C ATOM 358 C ALA A 26 3.294 1.898 0.546 1.00 0.00 C ATOM 359 O ALA A 26 3.114 3.082 0.262 1.00 0.00 O ATOM 360 CB ALA A 26 1.378 1.322 2.046 1.00 0.00 C ATOM 0 H ALA A 26 2.803 2.531 3.643 1.00 0.00 H new ATOM 0 HA ALA A 26 3.274 0.333 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.952 0.729 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.106 0.878 3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.989 2.339 1.994 1.00 0.00 H new ATOM 366 N THR A 27 3.841 1.027 -0.297 1.00 0.00 N ATOM 367 CA THR A 27 4.271 1.424 -1.632 1.00 0.00 C ATOM 368 C THR A 27 3.108 1.385 -2.618 1.00 0.00 C ATOM 369 O THR A 27 3.306 1.215 -3.821 1.00 0.00 O ATOM 370 CB THR A 27 5.400 0.514 -2.152 1.00 0.00 C ATOM 371 OG1 THR A 27 4.894 -0.803 -2.399 1.00 0.00 O ATOM 372 CG2 THR A 27 6.543 0.445 -1.151 1.00 0.00 C ATOM 0 H THR A 27 3.996 0.043 -0.079 1.00 0.00 H new ATOM 0 HA THR A 27 4.644 2.445 -1.554 1.00 0.00 H new ATOM 0 HB THR A 27 5.778 0.937 -3.083 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.430 -1.457 -1.904 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.328 -0.203 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.945 1.445 -0.988 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.176 0.044 -0.206 1.00 0.00 H new ATOM 380 N VAL A 28 1.894 1.544 -2.100 1.00 0.00 N ATOM 381 CA VAL A 28 0.699 1.529 -2.935 1.00 0.00 C ATOM 382 C VAL A 28 -0.216 2.703 -2.606 1.00 0.00 C ATOM 383 O VAL A 28 -0.171 3.248 -1.504 1.00 0.00 O ATOM 384 CB VAL A 28 -0.088 0.216 -2.765 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.805 -0.148 -4.056 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.840 -0.908 -2.327 1.00 0.00 C ATOM 0 H VAL A 28 1.712 1.685 -1.106 1.00 0.00 H new ATOM 0 HA VAL A 28 1.034 1.612 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.839 0.361 -1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.356 -1.078 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.500 0.648 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.074 -0.275 -4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.268 -1.828 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.615 -1.054 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.303 -0.647 -1.375 1.00 0.00 H new ATOM 396 N ALA A 29 -1.047 3.087 -3.570 1.00 0.00 N ATOM 397 CA ALA A 29 -1.975 4.195 -3.382 1.00 0.00 C ATOM 398 C ALA A 29 -3.092 3.817 -2.414 1.00 0.00 C ATOM 399 O ALA A 29 -3.299 4.462 -1.386 1.00 0.00 O ATOM 400 CB ALA A 29 -2.557 4.628 -4.719 1.00 0.00 C ATOM 0 H ALA A 29 -1.096 2.647 -4.489 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.423 5.030 -2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.248 5.456 -4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.751 4.947 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.089 3.792 -5.172 1.00 0.00 H new ATOM 406 N PRO A 30 -3.830 2.748 -2.749 1.00 0.00 N ATOM 407 CA PRO A 30 -4.939 2.261 -1.923 1.00 0.00 C ATOM 408 C PRO A 30 -4.458 1.642 -0.615 1.00 0.00 C ATOM 409 O PRO A 30 -4.937 1.994 0.463 1.00 0.00 O ATOM 410 CB PRO A 30 -5.600 1.200 -2.806 1.00 0.00 C ATOM 411 CG PRO A 30 -4.516 0.736 -3.716 1.00 0.00 C ATOM 412 CD PRO A 30 -3.639 1.933 -3.960 1.00 0.00 C ATOM 0 HA PRO A 30 -5.611 3.066 -1.626 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.995 0.378 -2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.436 1.617 -3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.949 -0.078 -3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.927 0.357 -4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.596 1.647 -4.091 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.937 2.473 -4.859 1.00 0.00 H new ATOM 420 N VAL A 31 -3.508 0.718 -0.717 1.00 0.00 N ATOM 421 CA VAL A 31 -2.961 0.050 0.458 1.00 0.00 C ATOM 422 C VAL A 31 -2.394 1.060 1.450 1.00 0.00 C ATOM 423 O VAL A 31 -2.145 0.734 2.611 1.00 0.00 O ATOM 424 CB VAL A 31 -1.856 -0.950 0.072 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.541 -1.874 1.239 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.266 -1.749 -1.156 1.00 0.00 C ATOM 0 H VAL A 31 -3.101 0.415 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.783 -0.492 0.925 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.953 -0.391 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.758 -2.574 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.202 -1.283 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.438 -2.428 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.473 -2.451 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.182 -2.299 -0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.436 -1.070 -1.992 1.00 0.00 H new ATOM 436 N LEU A 32 -2.192 2.288 0.985 1.00 0.00 N ATOM 437 CA LEU A 32 -1.655 3.348 1.830 1.00 0.00 C ATOM 438 C LEU A 32 -2.778 4.173 2.451 1.00 0.00 C ATOM 439 O LEU A 32 -2.807 4.388 3.663 1.00 0.00 O ATOM 440 CB LEU A 32 -0.729 4.256 1.018 1.00 0.00 C ATOM 441 CG LEU A 32 -0.407 5.615 1.640 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.369 5.439 2.936 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.376 6.477 0.661 1.00 0.00 C ATOM 0 H LEU A 32 -2.392 2.574 0.027 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.084 2.883 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.208 3.726 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.183 4.424 0.041 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.346 6.120 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.589 6.417 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.227 4.860 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.302 4.914 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.597 7.441 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.309 5.977 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.216 6.632 -0.241 1.00 0.00 H new ATOM 455 N TYR A 33 -3.702 4.629 1.613 1.00 0.00 N ATOM 456 CA TYR A 33 -4.828 5.430 2.078 1.00 0.00 C ATOM 457 C TYR A 33 -5.480 4.793 3.302 1.00 0.00 C ATOM 458 O TYR A 33 -5.645 5.436 4.339 1.00 0.00 O ATOM 459 CB TYR A 33 -5.861 5.593 0.962 1.00 0.00 C ATOM 460 CG TYR A 33 -7.159 6.216 1.425 1.00 0.00 C ATOM 461 CD1 TYR A 33 -8.200 5.428 1.900 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.344 7.592 1.388 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.387 5.992 2.323 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.527 8.166 1.810 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.546 7.361 2.277 1.00 0.00 C ATOM 466 OH TYR A 33 -10.728 7.928 2.698 1.00 0.00 O ATOM 0 H TYR A 33 -3.693 4.458 0.608 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.451 6.413 2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.434 6.209 0.170 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.071 4.616 0.527 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.079 4.356 1.939 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.548 8.224 1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.187 5.364 2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.654 9.238 1.775 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.577 8.415 3.535 1.00 0.00 H new ATOM 476 N THR A 34 -5.850 3.522 3.173 1.00 0.00 N ATOM 477 CA THR A 34 -6.485 2.796 4.266 1.00 0.00 C ATOM 478 C THR A 34 -5.562 2.707 5.476 1.00 0.00 C ATOM 479 O THR A 34 -5.944 3.072 6.587 1.00 0.00 O ATOM 480 CB THR A 34 -6.888 1.373 3.836 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.797 0.739 3.157 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.106 1.408 2.926 1.00 0.00 C ATOM 0 H THR A 34 -5.721 2.975 2.322 1.00 0.00 H new ATOM 0 HA THR A 34 -7.382 3.353 4.537 1.00 0.00 H new ATOM 0 HB THR A 34 -7.139 0.804 4.731 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.837 -0.229 3.306 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.372 0.392 2.635 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.942 1.865 3.455 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.878 1.992 2.035 1.00 0.00 H new ATOM 490 N ASN A 35 -4.346 2.220 5.252 1.00 0.00 N ATOM 491 CA ASN A 35 -3.368 2.084 6.326 1.00 0.00 C ATOM 492 C ASN A 35 -3.393 3.303 7.243 1.00 0.00 C ATOM 493 O ASN A 35 -3.274 3.177 8.462 1.00 0.00 O ATOM 494 CB ASN A 35 -1.965 1.897 5.745 1.00 0.00 C ATOM 495 CG ASN A 35 -1.648 0.443 5.454 1.00 0.00 C ATOM 496 OD1 ASN A 35 -0.669 0.213 4.586 1.00 0.00 O flip ATOM 497 ND2 ASN A 35 -2.276 -0.462 6.003 1.00 0.00 N flip ATOM 0 H ASN A 35 -4.014 1.913 4.338 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.631 1.205 6.914 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.875 2.476 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.229 2.293 6.445 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.020 -0.238 6.663 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.052 -1.436 5.798 1.00 0.00 H new ATOM 504 N ILE A 36 -3.550 4.481 6.648 1.00 0.00 N ATOM 505 CA ILE A 36 -3.592 5.721 7.412 1.00 0.00 C ATOM 506 C ILE A 36 -5.017 6.054 7.841 1.00 0.00 C ATOM 507 O ILE A 36 -5.331 6.068 9.031 1.00 0.00 O ATOM 508 CB ILE A 36 -3.024 6.901 6.601 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.563 6.637 6.230 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.150 8.196 7.390 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.012 7.611 5.213 1.00 0.00 C ATOM 0 H ILE A 36 -3.650 4.602 5.640 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.975 5.568 8.297 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.601 7.001 5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.953 6.683 7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.474 5.624 5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.744 9.020 6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.200 8.388 7.608 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.596 8.108 8.324 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.027 7.363 4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.597 7.549 4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.069 8.624 5.611 1.00 0.00 H new ATOM 523 N ASN A 37 -5.877 6.320 6.863 1.00 0.00 N ATOM 524 CA ASN A 37 -7.270 6.651 7.140 1.00 0.00 C ATOM 525 C ASN A 37 -7.893 5.634 8.091 1.00 0.00 C ATOM 526 O ASN A 37 -8.435 5.996 9.135 1.00 0.00 O ATOM 527 CB ASN A 37 -8.071 6.706 5.837 1.00 0.00 C ATOM 528 CG ASN A 37 -7.938 8.041 5.131 1.00 0.00 C ATOM 529 OD1 ASN A 37 -8.881 8.831 5.089 1.00 0.00 O ATOM 530 ND2 ASN A 37 -6.761 8.300 4.573 1.00 0.00 N ATOM 0 H ASN A 37 -5.634 6.313 5.872 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.297 7.631 7.617 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.732 5.911 5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.122 6.515 6.052 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.611 9.183 4.085 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.007 7.616 4.632 1.00 0.00 H new ATOM 537 N PHE A 38 -7.811 4.360 7.722 1.00 0.00 N ATOM 538 CA PHE A 38 -8.366 3.290 8.542 1.00 0.00 C ATOM 539 C PHE A 38 -7.257 2.504 9.235 1.00 0.00 C ATOM 540 O PHE A 38 -6.769 1.493 8.730 1.00 0.00 O ATOM 541 CB PHE A 38 -9.214 2.348 7.683 1.00 0.00 C ATOM 542 CG PHE A 38 -10.412 3.013 7.069 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.290 3.747 5.900 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.660 2.904 7.660 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.391 4.360 5.331 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.765 3.515 7.096 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.629 4.244 5.931 1.00 0.00 C ATOM 0 H PHE A 38 -7.366 4.044 6.861 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.998 3.743 9.306 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.592 1.934 6.890 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.548 1.511 8.296 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.323 3.841 5.428 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.771 2.335 8.571 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.283 4.928 4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.733 3.422 7.566 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.490 4.723 5.490 1.00 0.00 H new ATOM 557 N PRO A 39 -6.848 2.979 10.421 1.00 0.00 N ATOM 558 CA PRO A 39 -5.792 2.338 11.209 1.00 0.00 C ATOM 559 C PRO A 39 -6.234 0.998 11.789 1.00 0.00 C ATOM 560 O PRO A 39 -5.501 0.012 11.726 1.00 0.00 O ATOM 561 CB PRO A 39 -5.526 3.344 12.332 1.00 0.00 C ATOM 562 CG PRO A 39 -6.799 4.107 12.466 1.00 0.00 C ATOM 563 CD PRO A 39 -7.385 4.180 11.083 1.00 0.00 C ATOM 0 HA PRO A 39 -4.914 2.111 10.605 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.267 2.839 13.263 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.694 4.003 12.085 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.482 3.609 13.154 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.616 5.104 12.866 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.475 4.172 11.107 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.084 5.092 10.567 1.00 0.00 H new ATOM 571 N ASN A 40 -7.437 0.971 12.353 1.00 0.00 N ATOM 572 CA ASN A 40 -7.977 -0.249 12.944 1.00 0.00 C ATOM 573 C ASN A 40 -8.558 -1.163 11.869 1.00 0.00 C ATOM 574 O ASN A 40 -9.205 -2.165 12.175 1.00 0.00 O ATOM 575 CB ASN A 40 -9.053 0.093 13.976 1.00 0.00 C ATOM 576 CG ASN A 40 -8.546 1.034 15.051 1.00 0.00 C ATOM 577 OD1 ASN A 40 -7.643 0.691 15.815 1.00 0.00 O ATOM 578 ND2 ASN A 40 -9.125 2.227 15.116 1.00 0.00 N ATOM 0 H ASN A 40 -8.056 1.779 12.413 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.162 -0.775 13.440 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.905 0.548 13.471 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.412 -0.825 14.441 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.825 2.902 15.820 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.870 2.469 14.462 1.00 0.00 H new ATOM 585 N LEU A 41 -8.322 -0.811 10.610 1.00 0.00 N ATOM 586 CA LEU A 41 -8.821 -1.600 9.489 1.00 0.00 C ATOM 587 C LEU A 41 -8.692 -3.093 9.773 1.00 0.00 C ATOM 588 O LEU A 41 -9.684 -3.823 9.778 1.00 0.00 O ATOM 589 CB LEU A 41 -8.060 -1.245 8.211 1.00 0.00 C ATOM 590 CG LEU A 41 -8.610 -1.840 6.915 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.662 -0.923 6.311 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.484 -2.089 5.922 1.00 0.00 C ATOM 0 H LEU A 41 -7.788 0.015 10.340 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.877 -1.365 9.353 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.044 -0.160 8.111 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.026 -1.569 8.326 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.080 -2.795 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.042 -1.363 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.482 -0.795 7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.217 0.048 6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.894 -2.513 5.005 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.985 -1.147 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.765 -2.786 6.354 1.00 0.00 H new ATOM 604 N LYS A 42 -7.465 -3.540 10.013 1.00 0.00 N ATOM 605 CA LYS A 42 -7.205 -4.945 10.302 1.00 0.00 C ATOM 606 C LYS A 42 -8.284 -5.522 11.213 1.00 0.00 C ATOM 607 O LYS A 42 -8.772 -6.629 10.987 1.00 0.00 O ATOM 608 CB LYS A 42 -5.831 -5.107 10.957 1.00 0.00 C ATOM 609 CG LYS A 42 -5.624 -4.212 12.167 1.00 0.00 C ATOM 610 CD LYS A 42 -4.250 -4.415 12.782 1.00 0.00 C ATOM 611 CE LYS A 42 -3.817 -3.202 13.592 1.00 0.00 C ATOM 612 NZ LYS A 42 -3.126 -2.189 12.747 1.00 0.00 N ATOM 0 H LYS A 42 -6.634 -2.949 10.013 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.219 -5.492 9.359 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.702 -6.147 11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.058 -4.891 10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.742 -3.169 11.874 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.392 -4.422 12.912 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.264 -5.296 13.424 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.522 -4.606 11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.690 -2.749 14.062 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.152 -3.520 14.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.397 -1.706 13.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.680 -2.661 11.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.818 -1.492 12.405 1.00 0.00 H new ATOM 626 N GLU A 43 -8.653 -4.763 12.240 1.00 0.00 N ATOM 627 CA GLU A 43 -9.676 -5.200 13.183 1.00 0.00 C ATOM 628 C GLU A 43 -11.006 -5.434 12.474 1.00 0.00 C ATOM 629 O GLU A 43 -11.524 -6.550 12.456 1.00 0.00 O ATOM 630 CB GLU A 43 -9.853 -4.163 14.294 1.00 0.00 C ATOM 631 CG GLU A 43 -8.573 -3.862 15.056 1.00 0.00 C ATOM 632 CD GLU A 43 -8.835 -3.257 16.421 1.00 0.00 C ATOM 633 OE1 GLU A 43 -9.886 -2.604 16.589 1.00 0.00 O ATOM 634 OE2 GLU A 43 -7.989 -3.437 17.322 1.00 0.00 O ATOM 0 H GLU A 43 -8.259 -3.844 12.440 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.349 -6.142 13.623 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.233 -3.238 13.859 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.608 -4.519 14.995 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.000 -4.782 15.174 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.959 -3.177 14.471 1.00 0.00 H new ATOM 641 N GLU A 44 -11.554 -4.372 11.890 1.00 0.00 N ATOM 642 CA GLU A 44 -12.824 -4.462 11.180 1.00 0.00 C ATOM 643 C GLU A 44 -12.859 -5.694 10.281 1.00 0.00 C ATOM 644 O GLU A 44 -13.857 -6.415 10.235 1.00 0.00 O ATOM 645 CB GLU A 44 -13.057 -3.201 10.346 1.00 0.00 C ATOM 646 CG GLU A 44 -13.798 -2.105 11.093 1.00 0.00 C ATOM 647 CD GLU A 44 -13.957 -0.842 10.269 1.00 0.00 C ATOM 648 OE1 GLU A 44 -12.977 -0.436 9.609 1.00 0.00 O ATOM 649 OE2 GLU A 44 -15.061 -0.259 10.284 1.00 0.00 O ATOM 0 H GLU A 44 -11.138 -3.441 11.895 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.619 -4.552 11.920 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.095 -2.814 10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.622 -3.466 9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.783 -2.471 11.384 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.261 -1.870 12.012 1.00 0.00 H new ATOM 656 N PHE A 45 -11.764 -5.930 9.567 1.00 0.00 N ATOM 657 CA PHE A 45 -11.669 -7.073 8.667 1.00 0.00 C ATOM 658 C PHE A 45 -10.330 -7.786 8.833 1.00 0.00 C ATOM 659 O PHE A 45 -9.326 -7.428 8.216 1.00 0.00 O ATOM 660 CB PHE A 45 -11.843 -6.623 7.215 1.00 0.00 C ATOM 661 CG PHE A 45 -12.885 -5.556 7.040 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.571 -4.222 7.244 1.00 0.00 C ATOM 663 CD2 PHE A 45 -14.179 -5.887 6.671 1.00 0.00 C ATOM 664 CE1 PHE A 45 -13.528 -3.237 7.083 1.00 0.00 C ATOM 665 CE2 PHE A 45 -15.140 -4.906 6.508 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.814 -3.580 6.715 1.00 0.00 C ATOM 0 H PHE A 45 -10.929 -5.344 9.594 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.467 -7.771 8.922 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.889 -6.253 6.841 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -12.111 -7.486 6.605 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.567 -3.948 7.532 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.440 -6.922 6.509 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.270 -2.201 7.245 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -16.145 -5.177 6.219 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.564 -2.813 6.589 1.00 0.00 H new ATOM 676 N PRO A 46 -10.313 -8.820 9.687 1.00 0.00 N ATOM 677 CA PRO A 46 -9.104 -9.606 9.955 1.00 0.00 C ATOM 678 C PRO A 46 -8.691 -10.459 8.761 1.00 0.00 C ATOM 679 O PRO A 46 -7.528 -10.456 8.357 1.00 0.00 O ATOM 680 CB PRO A 46 -9.513 -10.495 11.132 1.00 0.00 C ATOM 681 CG PRO A 46 -10.994 -10.612 11.022 1.00 0.00 C ATOM 682 CD PRO A 46 -11.472 -9.303 10.457 1.00 0.00 C ATOM 0 HA PRO A 46 -8.242 -8.971 10.162 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.033 -11.472 11.075 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.221 -10.051 12.084 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.273 -11.442 10.373 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.444 -10.804 11.996 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.349 -9.435 9.823 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.751 -8.603 11.245 1.00 0.00 H new ATOM 690 N ASP A 47 -9.650 -11.187 8.200 1.00 0.00 N ATOM 691 CA ASP A 47 -9.385 -12.044 7.050 1.00 0.00 C ATOM 692 C ASP A 47 -8.991 -11.214 5.833 1.00 0.00 C ATOM 693 O ASP A 47 -9.824 -10.528 5.241 1.00 0.00 O ATOM 694 CB ASP A 47 -10.615 -12.894 6.727 1.00 0.00 C ATOM 695 CG ASP A 47 -11.169 -13.598 7.950 1.00 0.00 C ATOM 696 OD1 ASP A 47 -12.019 -13.001 8.645 1.00 0.00 O ATOM 697 OD2 ASP A 47 -10.755 -14.747 8.212 1.00 0.00 O ATOM 0 H ASP A 47 -10.618 -11.201 8.523 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.554 -12.702 7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.389 -12.259 6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.353 -13.635 5.972 1.00 0.00 H new ATOM 702 N TRP A 48 -7.717 -11.281 5.465 1.00 0.00 N ATOM 703 CA TRP A 48 -7.212 -10.534 4.318 1.00 0.00 C ATOM 704 C TRP A 48 -8.175 -10.630 3.140 1.00 0.00 C ATOM 705 O TRP A 48 -8.713 -9.622 2.681 1.00 0.00 O ATOM 706 CB TRP A 48 -5.833 -11.056 3.910 1.00 0.00 C ATOM 707 CG TRP A 48 -5.312 -10.435 2.650 1.00 0.00 C ATOM 708 CD1 TRP A 48 -4.975 -11.082 1.496 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.067 -9.043 2.419 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.534 -10.176 0.561 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.582 -8.919 1.102 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.211 -7.890 3.195 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.241 -7.688 0.548 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -4.872 -6.669 2.643 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.392 -6.576 1.330 1.00 0.00 C ATOM 0 H TRP A 48 -7.014 -11.845 5.944 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.125 -9.487 4.607 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.127 -10.867 4.719 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.886 -12.137 3.779 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.045 -12.148 1.341 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.222 -10.403 -0.383 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.581 -7.952 4.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.870 -7.614 -0.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.979 -5.771 3.234 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.136 -5.607 0.927 1.00 0.00 H new ATOM 726 N THR A 49 -8.388 -11.849 2.653 1.00 0.00 N ATOM 727 CA THR A 49 -9.285 -12.076 1.527 1.00 0.00 C ATOM 728 C THR A 49 -10.545 -11.225 1.648 1.00 0.00 C ATOM 729 O THR A 49 -11.187 -10.902 0.648 1.00 0.00 O ATOM 730 CB THR A 49 -9.690 -13.558 1.421 1.00 0.00 C ATOM 731 OG1 THR A 49 -8.596 -14.394 1.816 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.111 -13.904 0.001 1.00 0.00 C ATOM 0 H THR A 49 -7.951 -12.694 3.021 1.00 0.00 H new ATOM 0 HA THR A 49 -8.741 -11.790 0.627 1.00 0.00 H new ATOM 0 HB THR A 49 -10.537 -13.729 2.086 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.862 -15.335 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.393 -14.956 -0.049 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.962 -13.287 -0.287 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.281 -13.718 -0.680 1.00 0.00 H new ATOM 740 N THR A 50 -10.893 -10.862 2.878 1.00 0.00 N ATOM 741 CA THR A 50 -12.076 -10.049 3.129 1.00 0.00 C ATOM 742 C THR A 50 -11.713 -8.573 3.247 1.00 0.00 C ATOM 743 O THR A 50 -12.444 -7.705 2.769 1.00 0.00 O ATOM 744 CB THR A 50 -12.800 -10.492 4.415 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.355 -11.800 4.239 1.00 0.00 O ATOM 746 CG2 THR A 50 -13.905 -9.511 4.779 1.00 0.00 C ATOM 0 H THR A 50 -10.372 -11.118 3.717 1.00 0.00 H new ATOM 0 HA THR A 50 -12.743 -10.190 2.278 1.00 0.00 H new ATOM 0 HB THR A 50 -12.073 -10.513 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.812 -12.075 5.061 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.402 -9.844 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.475 -8.523 4.941 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.630 -9.462 3.967 1.00 0.00 H new ATOM 754 N ARG A 51 -10.581 -8.295 3.885 1.00 0.00 N ATOM 755 CA ARG A 51 -10.122 -6.923 4.065 1.00 0.00 C ATOM 756 C ARG A 51 -9.746 -6.296 2.726 1.00 0.00 C ATOM 757 O ARG A 51 -10.211 -5.208 2.386 1.00 0.00 O ATOM 758 CB ARG A 51 -8.923 -6.885 5.014 1.00 0.00 C ATOM 759 CG ARG A 51 -8.297 -5.506 5.148 1.00 0.00 C ATOM 760 CD ARG A 51 -7.535 -5.366 6.457 1.00 0.00 C ATOM 761 NE ARG A 51 -6.140 -5.777 6.324 1.00 0.00 N ATOM 762 CZ ARG A 51 -5.732 -7.037 6.426 1.00 0.00 C ATOM 763 NH1 ARG A 51 -6.608 -8.004 6.661 1.00 0.00 N ATOM 764 NH2 ARG A 51 -4.445 -7.332 6.294 1.00 0.00 N ATOM 0 H ARG A 51 -9.965 -9.002 4.286 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.939 -6.346 4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.239 -7.229 5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.167 -7.585 4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.621 -5.329 4.311 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.076 -4.745 5.095 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.577 -4.330 6.792 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.019 -5.969 7.225 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.441 -5.057 6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.598 -7.781 6.764 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.292 -8.971 6.739 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.768 -6.591 6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.133 -8.300 6.373 1.00 0.00 H new ATOM 778 N VAL A 52 -8.900 -6.989 1.970 1.00 0.00 N ATOM 779 CA VAL A 52 -8.462 -6.500 0.669 1.00 0.00 C ATOM 780 C VAL A 52 -9.611 -5.844 -0.088 1.00 0.00 C ATOM 781 O VAL A 52 -9.483 -4.725 -0.586 1.00 0.00 O ATOM 782 CB VAL A 52 -7.879 -7.638 -0.191 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.919 -8.727 -0.411 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.374 -7.096 -1.519 1.00 0.00 C ATOM 0 H VAL A 52 -8.505 -7.891 2.237 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.684 -5.759 0.855 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.035 -8.077 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.490 -9.522 -1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.229 -9.134 0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.785 -8.306 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.966 -7.913 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.198 -6.631 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.595 -6.355 -1.337 1.00 0.00 H new ATOM 794 N LYS A 53 -10.736 -6.546 -0.170 1.00 0.00 N ATOM 795 CA LYS A 53 -11.910 -6.033 -0.864 1.00 0.00 C ATOM 796 C LYS A 53 -12.254 -4.626 -0.384 1.00 0.00 C ATOM 797 O LYS A 53 -12.464 -3.720 -1.190 1.00 0.00 O ATOM 798 CB LYS A 53 -13.105 -6.964 -0.646 1.00 0.00 C ATOM 799 CG LYS A 53 -12.919 -8.344 -1.253 1.00 0.00 C ATOM 800 CD LYS A 53 -13.732 -9.392 -0.513 1.00 0.00 C ATOM 801 CE LYS A 53 -13.765 -10.710 -1.272 1.00 0.00 C ATOM 802 NZ LYS A 53 -12.427 -11.070 -1.816 1.00 0.00 N ATOM 0 H LYS A 53 -10.859 -7.473 0.237 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.681 -5.989 -1.929 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.283 -7.068 0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.996 -6.505 -1.075 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.217 -8.325 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.864 -8.615 -1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.306 -9.552 0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.749 -9.029 -0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.113 -11.502 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.483 -10.641 -2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.450 -12.045 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.181 -10.420 -2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.714 -10.996 -1.062 1.00 0.00 H new ATOM 816 N GLN A 54 -12.309 -4.452 0.933 1.00 0.00 N ATOM 817 CA GLN A 54 -12.626 -3.156 1.519 1.00 0.00 C ATOM 818 C GLN A 54 -11.737 -2.062 0.936 1.00 0.00 C ATOM 819 O GLN A 54 -12.228 -1.080 0.379 1.00 0.00 O ATOM 820 CB GLN A 54 -12.464 -3.206 3.039 1.00 0.00 C ATOM 821 CG GLN A 54 -13.529 -4.035 3.738 1.00 0.00 C ATOM 822 CD GLN A 54 -14.841 -3.292 3.890 1.00 0.00 C ATOM 823 OE1 GLN A 54 -14.796 -2.139 4.548 1.00 0.00 O flip ATOM 824 NE2 GLN A 54 -15.885 -3.747 3.421 1.00 0.00 N flip ATOM 0 H GLN A 54 -12.138 -5.192 1.613 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.663 -2.922 1.279 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.482 -3.615 3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.490 -2.190 3.432 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.699 -4.952 3.174 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.166 -4.329 4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.875 -4.637 2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.760 -3.234 3.531 1.00 0.00 H new ATOM 833 N ILE A 55 -10.426 -2.239 1.069 1.00 0.00 N ATOM 834 CA ILE A 55 -9.469 -1.268 0.556 1.00 0.00 C ATOM 835 C ILE A 55 -9.849 -0.811 -0.849 1.00 0.00 C ATOM 836 O ILE A 55 -9.642 0.346 -1.214 1.00 0.00 O ATOM 837 CB ILE A 55 -8.042 -1.845 0.527 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.614 -2.277 1.931 1.00 0.00 C ATOM 839 CG2 ILE A 55 -7.068 -0.822 -0.038 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.325 -3.067 1.954 1.00 0.00 C ATOM 0 H ILE A 55 -10.003 -3.046 1.528 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.493 -0.414 1.233 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.034 -2.722 -0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.499 -1.391 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.407 -2.879 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.064 -1.245 -0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.365 -0.559 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.077 0.072 0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.083 -3.339 2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.442 -3.971 1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.519 -2.461 1.540 1.00 0.00 H new ATOM 852 N ALA A 56 -10.408 -1.728 -1.632 1.00 0.00 N ATOM 853 CA ALA A 56 -10.820 -1.419 -2.996 1.00 0.00 C ATOM 854 C ALA A 56 -11.962 -0.408 -3.008 1.00 0.00 C ATOM 855 O ALA A 56 -11.875 0.635 -3.655 1.00 0.00 O ATOM 856 CB ALA A 56 -11.231 -2.690 -3.724 1.00 0.00 C ATOM 0 H ALA A 56 -10.586 -2.691 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.970 -0.975 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.536 -2.444 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.388 -3.380 -3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.064 -3.157 -3.198 1.00 0.00 H new ATOM 862 N LYS A 57 -13.033 -0.724 -2.288 1.00 0.00 N ATOM 863 CA LYS A 57 -14.193 0.156 -2.215 1.00 0.00 C ATOM 864 C LYS A 57 -13.824 1.491 -1.577 1.00 0.00 C ATOM 865 O LYS A 57 -14.143 2.555 -2.109 1.00 0.00 O ATOM 866 CB LYS A 57 -15.315 -0.510 -1.415 1.00 0.00 C ATOM 867 CG LYS A 57 -15.270 -0.199 0.071 1.00 0.00 C ATOM 868 CD LYS A 57 -16.473 -0.777 0.798 1.00 0.00 C ATOM 869 CE LYS A 57 -16.509 -0.336 2.253 1.00 0.00 C ATOM 870 NZ LYS A 57 -17.900 -0.275 2.780 1.00 0.00 N ATOM 0 H LYS A 57 -13.122 -1.584 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.540 0.342 -3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.276 -0.188 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.257 -1.590 -1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.354 -0.605 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.240 0.881 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.388 -0.461 0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.442 -1.865 0.747 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.922 -1.028 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.042 0.644 2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.882 0.029 3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.454 0.404 2.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.338 -1.216 2.714 1.00 0.00 H new ATOM 884 N LEU A 58 -13.147 1.429 -0.435 1.00 0.00 N ATOM 885 CA LEU A 58 -12.732 2.634 0.275 1.00 0.00 C ATOM 886 C LEU A 58 -11.860 3.516 -0.612 1.00 0.00 C ATOM 887 O LEU A 58 -11.915 4.743 -0.530 1.00 0.00 O ATOM 888 CB LEU A 58 -11.972 2.262 1.549 1.00 0.00 C ATOM 889 CG LEU A 58 -12.789 1.572 2.642 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.871 0.892 3.646 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.699 2.572 3.339 1.00 0.00 C ATOM 0 H LEU A 58 -12.874 0.557 0.019 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.627 3.194 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.143 1.609 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.538 3.170 1.967 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.412 0.808 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.470 0.406 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.263 0.146 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.221 1.636 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.273 2.063 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.096 3.359 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.381 3.011 2.612 1.00 0.00 H new ATOM 903 N TRP A 59 -11.058 2.883 -1.461 1.00 0.00 N ATOM 904 CA TRP A 59 -10.175 3.610 -2.366 1.00 0.00 C ATOM 905 C TRP A 59 -10.971 4.285 -3.477 1.00 0.00 C ATOM 906 O TRP A 59 -10.814 5.481 -3.727 1.00 0.00 O ATOM 907 CB TRP A 59 -9.136 2.663 -2.969 1.00 0.00 C ATOM 908 CG TRP A 59 -8.250 3.322 -3.982 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.252 3.112 -5.332 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.232 4.295 -3.727 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.296 3.896 -5.931 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.657 4.632 -4.968 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.751 4.916 -2.571 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.626 5.560 -5.083 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.727 5.837 -2.687 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.174 6.153 -3.935 1.00 0.00 C ATOM 0 H TRP A 59 -11.001 1.868 -1.542 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.662 4.381 -1.791 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.519 2.254 -2.169 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.649 1.823 -3.437 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.909 2.430 -5.852 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.095 3.925 -6.930 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.172 4.680 -1.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.198 5.804 -6.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.346 6.322 -1.800 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.376 6.878 -3.992 1.00 0.00 H new ATOM 927 N ARG A 60 -11.826 3.513 -4.140 1.00 0.00 N ATOM 928 CA ARG A 60 -12.646 4.038 -5.225 1.00 0.00 C ATOM 929 C ARG A 60 -13.552 5.161 -4.728 1.00 0.00 C ATOM 930 O ARG A 60 -13.701 6.190 -5.387 1.00 0.00 O ATOM 931 CB ARG A 60 -13.491 2.921 -5.840 1.00 0.00 C ATOM 932 CG ARG A 60 -12.669 1.838 -6.520 1.00 0.00 C ATOM 933 CD ARG A 60 -13.556 0.822 -7.220 1.00 0.00 C ATOM 934 NE ARG A 60 -12.842 0.106 -8.274 1.00 0.00 N ATOM 935 CZ ARG A 60 -12.435 0.675 -9.403 1.00 0.00 C ATOM 936 NH1 ARG A 60 -12.670 1.961 -9.624 1.00 0.00 N ATOM 937 NH2 ARG A 60 -11.790 -0.042 -10.315 1.00 0.00 N ATOM 0 H ARG A 60 -11.969 2.522 -3.945 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.980 4.443 -5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.100 2.466 -5.059 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.177 3.355 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.994 2.293 -7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.049 1.332 -5.780 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.935 0.108 -6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.420 1.329 -7.648 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.645 -0.885 -8.135 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.165 2.516 -8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.356 2.395 -10.492 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.606 -1.032 -10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.478 0.397 -11.181 1.00 0.00 H new ATOM 951 N LYS A 61 -14.155 4.955 -3.562 1.00 0.00 N ATOM 952 CA LYS A 61 -15.046 5.949 -2.976 1.00 0.00 C ATOM 953 C LYS A 61 -14.395 7.329 -2.973 1.00 0.00 C ATOM 954 O LYS A 61 -15.034 8.327 -3.305 1.00 0.00 O ATOM 955 CB LYS A 61 -15.421 5.548 -1.547 1.00 0.00 C ATOM 956 CG LYS A 61 -16.180 6.626 -0.792 1.00 0.00 C ATOM 957 CD LYS A 61 -15.977 6.502 0.709 1.00 0.00 C ATOM 958 CE LYS A 61 -16.821 5.380 1.295 1.00 0.00 C ATOM 959 NZ LYS A 61 -16.883 5.451 2.781 1.00 0.00 N ATOM 0 H LYS A 61 -14.043 4.108 -3.004 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.950 5.994 -3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -16.028 4.643 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.512 5.302 -0.997 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.846 7.609 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.243 6.554 -1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.924 6.315 0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -16.237 7.444 1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.830 5.433 0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -16.406 4.418 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -17.467 4.670 3.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.923 5.375 3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -17.303 6.358 3.068 1.00 0.00 H new ATOM 973 N ALA A 62 -13.121 7.377 -2.598 1.00 0.00 N ATOM 974 CA ALA A 62 -12.384 8.633 -2.556 1.00 0.00 C ATOM 975 C ALA A 62 -12.290 9.261 -3.943 1.00 0.00 C ATOM 976 O ALA A 62 -12.254 8.557 -4.952 1.00 0.00 O ATOM 977 CB ALA A 62 -10.993 8.410 -1.981 1.00 0.00 C ATOM 0 H ALA A 62 -12.578 6.560 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.927 9.322 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.454 9.357 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.077 8.013 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.451 7.700 -2.606 1.00 0.00 H new ATOM 983 N SER A 63 -12.252 10.589 -3.985 1.00 0.00 N ATOM 984 CA SER A 63 -12.167 11.312 -5.249 1.00 0.00 C ATOM 985 C SER A 63 -10.726 11.365 -5.748 1.00 0.00 C ATOM 986 O SER A 63 -9.783 11.361 -4.957 1.00 0.00 O ATOM 987 CB SER A 63 -12.716 12.731 -5.087 1.00 0.00 C ATOM 988 OG SER A 63 -11.764 13.578 -4.467 1.00 0.00 O ATOM 0 H SER A 63 -12.279 11.186 -3.159 1.00 0.00 H new ATOM 0 HA SER A 63 -12.769 10.780 -5.986 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.985 13.134 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.628 12.706 -4.491 1.00 0.00 H new ATOM 0 HG SER A 63 -12.138 14.479 -4.376 1.00 0.00 H new ATOM 994 N SER A 64 -10.565 11.416 -7.066 1.00 0.00 N ATOM 995 CA SER A 64 -9.240 11.466 -7.673 1.00 0.00 C ATOM 996 C SER A 64 -8.378 12.535 -7.007 1.00 0.00 C ATOM 997 O SER A 64 -7.208 12.302 -6.703 1.00 0.00 O ATOM 998 CB SER A 64 -9.353 11.747 -9.173 1.00 0.00 C ATOM 999 OG SER A 64 -10.483 11.098 -9.730 1.00 0.00 O ATOM 0 H SER A 64 -11.336 11.424 -7.734 1.00 0.00 H new ATOM 0 HA SER A 64 -8.764 10.497 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.428 12.822 -9.340 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.449 11.408 -9.679 1.00 0.00 H new ATOM 0 HG SER A 64 -10.534 11.295 -10.689 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.966 13.706 -6.784 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.252 14.811 -6.155 1.00 0.00 C ATOM 1007 C GLN A 65 -7.772 14.425 -4.760 1.00 0.00 C ATOM 1008 O GLN A 65 -6.815 15.000 -4.242 1.00 0.00 O ATOM 1009 CB GLN A 65 -9.150 16.046 -6.075 1.00 0.00 C ATOM 1010 CG GLN A 65 -9.272 16.796 -7.392 1.00 0.00 C ATOM 1011 CD GLN A 65 -9.786 15.920 -8.517 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -10.963 15.557 -8.549 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -8.906 15.576 -9.449 1.00 0.00 N ATOM 0 H GLN A 65 -9.934 13.914 -7.029 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.381 15.043 -6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.144 15.742 -5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.757 16.723 -5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.944 17.645 -7.262 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.298 17.200 -7.667 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.941 15.899 -9.383 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.195 14.988 -10.231 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.444 13.449 -4.158 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.085 12.988 -2.821 1.00 0.00 C ATOM 1024 C GLU A 66 -6.930 11.993 -2.881 1.00 0.00 C ATOM 1025 O GLU A 66 -6.080 11.958 -1.990 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.294 12.343 -2.139 1.00 0.00 C ATOM 1027 CG GLU A 66 -8.980 11.755 -0.774 1.00 0.00 C ATOM 1028 CD GLU A 66 -10.228 11.454 0.033 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -11.268 11.133 -0.579 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -10.164 11.539 1.277 1.00 0.00 O ATOM 0 H GLU A 66 -9.239 12.963 -4.573 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.767 13.853 -2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.081 13.089 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.687 11.556 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.404 10.838 -0.901 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.352 12.451 -0.218 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.906 11.185 -3.936 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.856 10.188 -4.111 1.00 0.00 C ATOM 1039 C ARG A 67 -4.582 10.830 -4.652 1.00 0.00 C ATOM 1040 O ARG A 67 -3.497 10.259 -4.551 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.326 9.083 -5.059 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.739 8.599 -4.777 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.370 7.973 -6.011 1.00 0.00 C ATOM 1044 NE ARG A 67 -7.382 7.298 -6.848 1.00 0.00 N ATOM 1045 CZ ARG A 67 -7.615 6.922 -8.101 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -8.795 7.155 -8.658 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -6.665 6.313 -8.799 1.00 0.00 N ATOM 0 H ARG A 67 -7.601 11.201 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.637 9.752 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.274 9.449 -6.084 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.641 8.238 -4.987 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.720 7.870 -3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.351 9.435 -4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.134 7.259 -5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.871 8.746 -6.594 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.463 7.105 -6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.527 7.624 -8.125 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.971 6.865 -9.620 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.755 6.133 -8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.844 6.025 -9.761 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.723 12.019 -5.228 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.584 12.739 -5.784 1.00 0.00 C ATOM 1063 C ALA A 68 -2.325 12.497 -4.957 1.00 0.00 C ATOM 1064 O ALA A 68 -1.305 12.026 -5.459 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.887 14.228 -5.863 1.00 0.00 C ATOM 0 H ALA A 68 -5.615 12.504 -5.322 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.405 12.362 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.027 14.753 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.755 14.389 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.096 14.610 -4.864 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.397 12.827 -3.659 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.272 12.655 -2.735 1.00 0.00 C ATOM 1073 C PRO A 69 -0.979 11.186 -2.446 1.00 0.00 C ATOM 1074 O PRO A 69 0.161 10.736 -2.568 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.744 13.365 -1.464 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.232 13.315 -1.532 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.582 13.393 -2.993 1.00 0.00 C ATOM 0 HA PRO A 69 -0.344 13.056 -3.144 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.372 12.865 -0.570 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.384 14.393 -1.428 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.612 12.395 -1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.676 14.143 -0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.482 12.822 -3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.767 14.420 -3.307 1.00 0.00 H new ATOM 1085 N TYR A 70 -2.013 10.445 -2.065 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.865 9.028 -1.757 1.00 0.00 C ATOM 1087 C TYR A 70 -1.337 8.260 -2.965 1.00 0.00 C ATOM 1088 O TYR A 70 -0.857 7.133 -2.839 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.204 8.439 -1.310 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.795 9.128 -0.100 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.217 8.985 1.156 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.930 9.920 -0.212 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.753 9.612 2.264 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.473 10.551 0.890 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.880 10.394 2.126 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.418 11.020 3.227 1.00 0.00 O ATOM 0 H TYR A 70 -2.963 10.802 -1.962 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.144 8.932 -0.945 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.913 8.502 -2.136 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.069 7.381 -1.085 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.334 8.373 1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.396 10.045 -1.178 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.292 9.490 3.233 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.356 11.164 0.785 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.209 11.532 2.958 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.429 8.880 -4.138 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.960 8.257 -5.370 1.00 0.00 C ATOM 1108 C VAL A 71 0.537 8.477 -5.561 1.00 0.00 C ATOM 1109 O VAL A 71 1.254 7.577 -5.998 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.709 8.808 -6.598 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.155 8.203 -7.878 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.202 8.540 -6.475 1.00 0.00 C ATOM 0 H VAL A 71 -1.824 9.812 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.160 7.189 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.558 9.887 -6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.697 8.604 -8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.097 8.450 -7.969 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.273 7.120 -7.849 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.716 8.936 -7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.374 7.466 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.586 9.026 -5.578 1.00 0.00 H new ATOM 1122 N GLN A 72 1.000 9.678 -5.231 1.00 0.00 N ATOM 1123 CA GLN A 72 2.412 10.015 -5.366 1.00 0.00 C ATOM 1124 C GLN A 72 3.221 9.450 -4.203 1.00 0.00 C ATOM 1125 O GLN A 72 4.279 8.853 -4.401 1.00 0.00 O ATOM 1126 CB GLN A 72 2.591 11.532 -5.438 1.00 0.00 C ATOM 1127 CG GLN A 72 4.020 11.989 -5.191 1.00 0.00 C ATOM 1128 CD GLN A 72 4.957 11.613 -6.322 1.00 0.00 C ATOM 1129 OE1 GLN A 72 5.087 12.344 -7.304 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.615 10.467 -6.190 1.00 0.00 N ATOM 0 H GLN A 72 0.418 10.433 -4.868 1.00 0.00 H new ATOM 0 HA GLN A 72 2.779 9.569 -6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.271 11.881 -6.420 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.936 12.002 -4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.033 13.071 -5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.383 11.549 -4.262 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.477 9.892 -5.359 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.259 10.162 -6.920 1.00 0.00 H new ATOM 1139 N LYS A 73 2.716 9.643 -2.989 1.00 0.00 N ATOM 1140 CA LYS A 73 3.390 9.153 -1.793 1.00 0.00 C ATOM 1141 C LYS A 73 3.817 7.699 -1.966 1.00 0.00 C ATOM 1142 O LYS A 73 4.970 7.347 -1.720 1.00 0.00 O ATOM 1143 CB LYS A 73 2.473 9.285 -0.575 1.00 0.00 C ATOM 1144 CG LYS A 73 3.168 8.996 0.744 1.00 0.00 C ATOM 1145 CD LYS A 73 2.333 9.457 1.927 1.00 0.00 C ATOM 1146 CE LYS A 73 3.061 9.235 3.244 1.00 0.00 C ATOM 1147 NZ LYS A 73 4.029 10.329 3.533 1.00 0.00 N ATOM 0 H LYS A 73 1.841 10.136 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 73 4.282 9.759 -1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.064 10.295 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.631 8.603 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.361 7.926 0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.136 9.497 0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.095 10.515 1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.386 8.917 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.335 9.169 4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.589 8.282 3.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.505 10.141 4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.737 10.376 2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.522 11.235 3.590 1.00 0.00 H new ATOM 1161 N ALA A 74 2.880 6.859 -2.393 1.00 0.00 N ATOM 1162 CA ALA A 74 3.160 5.444 -2.602 1.00 0.00 C ATOM 1163 C ALA A 74 4.408 5.252 -3.457 1.00 0.00 C ATOM 1164 O ALA A 74 5.234 4.382 -3.180 1.00 0.00 O ATOM 1165 CB ALA A 74 1.965 4.759 -3.248 1.00 0.00 C ATOM 0 H ALA A 74 1.920 7.134 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 74 3.344 4.988 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.188 3.703 -3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.095 4.857 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.754 5.226 -4.210 1.00 0.00 H new ATOM 1171 N ARG A 75 4.539 6.070 -4.496 1.00 0.00 N ATOM 1172 CA ARG A 75 5.686 5.988 -5.393 1.00 0.00 C ATOM 1173 C ARG A 75 6.969 6.394 -4.673 1.00 0.00 C ATOM 1174 O ARG A 75 8.003 5.740 -4.810 1.00 0.00 O ATOM 1175 CB ARG A 75 5.470 6.883 -6.615 1.00 0.00 C ATOM 1176 CG ARG A 75 4.226 6.531 -7.415 1.00 0.00 C ATOM 1177 CD ARG A 75 3.750 7.709 -8.251 1.00 0.00 C ATOM 1178 NE ARG A 75 4.414 7.762 -9.550 1.00 0.00 N ATOM 1179 CZ ARG A 75 4.311 8.788 -10.387 1.00 0.00 C ATOM 1180 NH1 ARG A 75 3.574 9.842 -10.062 1.00 0.00 N ATOM 1181 NH2 ARG A 75 4.946 8.763 -11.552 1.00 0.00 N ATOM 0 H ARG A 75 3.866 6.797 -4.738 1.00 0.00 H new ATOM 0 HA ARG A 75 5.785 4.953 -5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.400 7.920 -6.287 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.342 6.813 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.439 5.683 -8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.432 6.220 -6.737 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.672 7.637 -8.397 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.937 8.637 -7.710 1.00 0.00 H new ATOM 0 HE ARG A 75 4.989 6.967 -9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.085 9.866 -9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.497 10.629 -10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.514 7.955 -11.806 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.866 9.552 -12.194 1.00 0.00 H new ATOM 1195 N ASP A 76 6.893 7.476 -3.906 1.00 0.00 N ATOM 1196 CA ASP A 76 8.048 7.969 -3.164 1.00 0.00 C ATOM 1197 C ASP A 76 8.508 6.944 -2.132 1.00 0.00 C ATOM 1198 O ASP A 76 9.705 6.773 -1.904 1.00 0.00 O ATOM 1199 CB ASP A 76 7.710 9.291 -2.472 1.00 0.00 C ATOM 1200 CG ASP A 76 8.935 10.155 -2.245 1.00 0.00 C ATOM 1201 OD1 ASP A 76 9.680 9.887 -1.279 1.00 0.00 O ATOM 1202 OD2 ASP A 76 9.150 11.098 -3.034 1.00 0.00 O ATOM 0 H ASP A 76 6.044 8.028 -3.782 1.00 0.00 H new ATOM 0 HA ASP A 76 8.860 8.135 -3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.988 9.840 -3.077 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.232 9.085 -1.514 1.00 0.00 H new ATOM 1207 N ASN A 77 7.549 6.265 -1.511 1.00 0.00 N ATOM 1208 CA ASN A 77 7.857 5.258 -0.502 1.00 0.00 C ATOM 1209 C ASN A 77 8.792 4.192 -1.064 1.00 0.00 C ATOM 1210 O ASN A 77 9.653 3.671 -0.355 1.00 0.00 O ATOM 1211 CB ASN A 77 6.569 4.606 0.006 1.00 0.00 C ATOM 1212 CG ASN A 77 5.984 5.334 1.201 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.701 6.002 1.946 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.676 5.207 1.389 1.00 0.00 N ATOM 0 H ASN A 77 6.553 6.394 -1.689 1.00 0.00 H new ATOM 0 HA ASN A 77 8.359 5.754 0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.834 4.585 -0.799 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.772 3.571 0.279 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.226 5.674 2.177 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.121 4.643 0.746 1.00 0.00 H new ATOM 1221 N ARG A 78 8.618 3.874 -2.342 1.00 0.00 N ATOM 1222 CA ARG A 78 9.446 2.871 -3.000 1.00 0.00 C ATOM 1223 C ARG A 78 10.901 3.325 -3.067 1.00 0.00 C ATOM 1224 O ARG A 78 11.820 2.510 -2.998 1.00 0.00 O ATOM 1225 CB ARG A 78 8.922 2.591 -4.410 1.00 0.00 C ATOM 1226 CG ARG A 78 7.670 1.730 -4.435 1.00 0.00 C ATOM 1227 CD ARG A 78 7.343 1.263 -5.844 1.00 0.00 C ATOM 1228 NE ARG A 78 8.426 0.474 -6.425 1.00 0.00 N ATOM 1229 CZ ARG A 78 8.311 -0.210 -7.558 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.166 -0.202 -8.228 1.00 0.00 N ATOM 1231 NH2 ARG A 78 9.341 -0.904 -8.023 1.00 0.00 N ATOM 0 H ARG A 78 7.911 4.297 -2.943 1.00 0.00 H new ATOM 0 HA ARG A 78 9.397 1.954 -2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.711 3.539 -4.905 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.704 2.097 -4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.809 0.865 -3.787 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.830 2.297 -4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.430 0.667 -5.826 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.146 2.129 -6.476 1.00 0.00 H new ATOM 0 HE ARG A 78 9.320 0.447 -5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.371 0.330 -7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.080 -0.728 -9.098 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.223 -0.913 -7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.251 -1.429 -8.893 1.00 0.00 H new ATOM 1245 N ALA A 79 11.101 4.632 -3.202 1.00 0.00 N ATOM 1246 CA ALA A 79 12.444 5.195 -3.277 1.00 0.00 C ATOM 1247 C ALA A 79 13.173 5.056 -1.945 1.00 0.00 C ATOM 1248 O ALA A 79 14.341 4.672 -1.903 1.00 0.00 O ATOM 1249 CB ALA A 79 12.380 6.657 -3.696 1.00 0.00 C ATOM 0 H ALA A 79 10.351 5.320 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 79 13.004 4.637 -4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.389 7.065 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 79 11.906 6.735 -4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.798 7.220 -2.966 1.00 0.00 H new ATOM 1255 N ALA A 80 12.475 5.372 -0.858 1.00 0.00 N ATOM 1256 CA ALA A 80 13.056 5.280 0.475 1.00 0.00 C ATOM 1257 C ALA A 80 13.667 3.904 0.715 1.00 0.00 C ATOM 1258 O ALA A 80 14.776 3.788 1.238 1.00 0.00 O ATOM 1259 CB ALA A 80 12.004 5.584 1.531 1.00 0.00 C ATOM 0 H ALA A 80 11.507 5.694 -0.875 1.00 0.00 H new ATOM 0 HA ALA A 80 13.853 6.020 0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.452 5.512 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.618 6.592 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.188 4.866 1.448 1.00 0.00 H new ATOM 1265 N LEU A 81 12.936 2.863 0.331 1.00 0.00 N ATOM 1266 CA LEU A 81 13.406 1.493 0.505 1.00 0.00 C ATOM 1267 C LEU A 81 14.821 1.329 -0.040 1.00 0.00 C ATOM 1268 O LEU A 81 15.731 0.917 0.680 1.00 0.00 O ATOM 1269 CB LEU A 81 12.461 0.516 -0.196 1.00 0.00 C ATOM 1270 CG LEU A 81 10.988 0.600 0.208 1.00 0.00 C ATOM 1271 CD1 LEU A 81 10.143 -0.317 -0.662 1.00 0.00 C ATOM 1272 CD2 LEU A 81 10.818 0.249 1.679 1.00 0.00 C ATOM 0 H LEU A 81 12.016 2.941 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 81 13.420 1.273 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.532 0.681 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.812 -0.498 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 81 10.647 1.624 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.098 -0.244 -0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.241 -0.020 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.484 -1.346 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.764 0.314 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.176 -0.766 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.392 0.947 2.288 1.00 0.00 H new ATOM 1284 N ARG A 82 14.999 1.656 -1.316 1.00 0.00 N ATOM 1285 CA ARG A 82 16.304 1.546 -1.958 1.00 0.00 C ATOM 1286 C ARG A 82 17.381 2.229 -1.121 1.00 0.00 C ATOM 1287 O ARG A 82 18.557 1.870 -1.192 1.00 0.00 O ATOM 1288 CB ARG A 82 16.262 2.164 -3.357 1.00 0.00 C ATOM 1289 CG ARG A 82 15.174 1.584 -4.246 1.00 0.00 C ATOM 1290 CD ARG A 82 15.516 1.741 -5.719 1.00 0.00 C ATOM 1291 NE ARG A 82 16.744 1.035 -6.075 1.00 0.00 N ATOM 1292 CZ ARG A 82 16.818 -0.284 -6.217 1.00 0.00 C ATOM 1293 NH1 ARG A 82 15.741 -1.035 -6.036 1.00 0.00 N ATOM 1294 NH2 ARG A 82 17.972 -0.853 -6.542 1.00 0.00 N ATOM 0 H ARG A 82 14.257 1.999 -1.925 1.00 0.00 H new ATOM 0 HA ARG A 82 16.551 0.488 -2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.110 3.239 -3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.229 2.019 -3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.037 0.528 -4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.227 2.082 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.692 1.363 -6.324 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.625 2.800 -5.955 1.00 0.00 H new ATOM 0 HE ARG A 82 17.591 1.584 -6.223 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.852 -0.601 -5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.801 -2.047 -6.146 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.802 -0.278 -6.683 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.029 -1.866 -6.651 1.00 0.00 H new ATOM 1308 N ILE A 83 16.971 3.215 -0.329 1.00 0.00 N ATOM 1309 CA ILE A 83 17.901 3.947 0.521 1.00 0.00 C ATOM 1310 C ILE A 83 18.479 3.047 1.608 1.00 0.00 C ATOM 1311 O ILE A 83 19.695 2.937 1.755 1.00 0.00 O ATOM 1312 CB ILE A 83 17.222 5.161 1.183 1.00 0.00 C ATOM 1313 CG1 ILE A 83 16.374 5.919 0.161 1.00 0.00 C ATOM 1314 CG2 ILE A 83 18.265 6.080 1.801 1.00 0.00 C ATOM 1315 CD1 ILE A 83 17.147 6.347 -1.067 1.00 0.00 C ATOM 0 H ILE A 83 16.002 3.525 -0.259 1.00 0.00 H new ATOM 0 HA ILE A 83 18.707 4.298 -0.123 1.00 0.00 H new ATOM 0 HB ILE A 83 16.566 4.803 1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 83 15.540 5.288 -0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 83 15.948 6.802 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 83 17.769 6.933 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 83 18.830 5.534 2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 83 18.944 6.433 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.483 6.879 -1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 83 17.965 7.004 -0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 83 17.551 5.467 -1.568 1.00 0.00 H new ATOM 1327 N ASN A 84 17.597 2.402 2.365 1.00 0.00 N ATOM 1328 CA ASN A 84 18.019 1.509 3.438 1.00 0.00 C ATOM 1329 C ASN A 84 18.011 0.057 2.971 1.00 0.00 C ATOM 1330 O ASN A 84 17.648 -0.240 1.833 1.00 0.00 O ATOM 1331 CB ASN A 84 17.105 1.671 4.654 1.00 0.00 C ATOM 1332 CG ASN A 84 17.259 3.027 5.316 1.00 0.00 C ATOM 1333 OD1 ASN A 84 16.845 4.077 4.617 1.00 0.00 O flip ATOM 1334 ND2 ASN A 84 17.745 3.128 6.443 1.00 0.00 N flip ATOM 0 H ASN A 84 16.586 2.481 2.255 1.00 0.00 H new ATOM 0 HA ASN A 84 19.037 1.776 3.720 1.00 0.00 H new ATOM 0 HB2 ASN A 84 16.068 1.535 4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 84 17.327 0.888 5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 84 18.050 2.293 6.944 1.00 0.00 H new ATOM 0 HD22 ASN A 84 17.843 4.046 6.876 1.00 0.00 H new ATOM 1341 N LYS A 85 18.413 -0.847 3.859 1.00 0.00 N ATOM 1342 CA LYS A 85 18.450 -2.269 3.541 1.00 0.00 C ATOM 1343 C LYS A 85 18.911 -2.493 2.104 1.00 0.00 C ATOM 1344 O LYS A 85 18.314 -3.278 1.366 1.00 0.00 O ATOM 1345 CB LYS A 85 17.070 -2.896 3.749 1.00 0.00 C ATOM 1346 CG LYS A 85 16.685 -3.049 5.211 1.00 0.00 C ATOM 1347 CD LYS A 85 16.188 -1.738 5.797 1.00 0.00 C ATOM 1348 CE LYS A 85 15.543 -1.945 7.159 1.00 0.00 C ATOM 1349 NZ LYS A 85 16.545 -1.898 8.260 1.00 0.00 N ATOM 0 H LYS A 85 18.718 -0.619 4.805 1.00 0.00 H new ATOM 0 HA LYS A 85 19.164 -2.747 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.322 -2.282 3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 85 17.050 -3.876 3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.909 -3.809 5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.546 -3.400 5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.021 -1.041 5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.467 -1.284 5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.787 -1.177 7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.030 -2.907 7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.066 -2.043 9.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.253 -2.647 8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.017 -0.971 8.261 1.00 0.00 H new ATOM 1363 N VAL A 86 19.976 -1.800 1.714 1.00 0.00 N ATOM 1364 CA VAL A 86 20.518 -1.926 0.366 1.00 0.00 C ATOM 1365 C VAL A 86 21.798 -2.754 0.364 1.00 0.00 C ATOM 1366 O VAL A 86 22.569 -2.724 1.322 1.00 0.00 O ATOM 1367 CB VAL A 86 20.810 -0.546 -0.252 1.00 0.00 C ATOM 1368 CG1 VAL A 86 21.401 0.391 0.790 1.00 0.00 C ATOM 1369 CG2 VAL A 86 21.742 -0.685 -1.447 1.00 0.00 C ATOM 0 H VAL A 86 20.481 -1.146 2.312 1.00 0.00 H new ATOM 0 HA VAL A 86 19.761 -2.431 -0.234 1.00 0.00 H new ATOM 0 HB VAL A 86 19.871 -0.116 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 86 21.601 1.361 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 86 20.695 0.514 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 86 22.331 -0.029 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 86 21.938 0.299 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 86 22.681 -1.135 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 86 21.275 -1.319 -2.201 1.00 0.00 H new ATOM 1379 N GLN A 87 22.017 -3.491 -0.720 1.00 0.00 N ATOM 1380 CA GLN A 87 23.205 -4.328 -0.847 1.00 0.00 C ATOM 1381 C GLN A 87 24.353 -3.550 -1.482 1.00 0.00 C ATOM 1382 O GLN A 87 24.148 -2.776 -2.417 1.00 0.00 O ATOM 1383 CB GLN A 87 22.892 -5.571 -1.681 1.00 0.00 C ATOM 1384 CG GLN A 87 22.468 -5.257 -3.107 1.00 0.00 C ATOM 1385 CD GLN A 87 22.018 -6.489 -3.866 1.00 0.00 C ATOM 1386 OE1 GLN A 87 22.837 -7.304 -4.292 1.00 0.00 O ATOM 1387 NE2 GLN A 87 20.709 -6.631 -4.041 1.00 0.00 N ATOM 0 H GLN A 87 21.388 -3.526 -1.522 1.00 0.00 H new ATOM 0 HA GLN A 87 23.509 -4.638 0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 87 23.773 -6.213 -1.706 1.00 0.00 H new ATOM 0 HB3 GLN A 87 22.099 -6.137 -1.191 1.00 0.00 H new ATOM 0 HG2 GLN A 87 21.657 -4.529 -3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 87 23.301 -4.793 -3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 87 20.066 -5.931 -3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 87 20.347 -7.440 -4.545 1.00 0.00 H new ATOM 1396 N MET A 88 25.560 -3.762 -0.969 1.00 0.00 N ATOM 1397 CA MET A 88 26.741 -3.081 -1.487 1.00 0.00 C ATOM 1398 C MET A 88 27.140 -3.645 -2.847 1.00 0.00 C ATOM 1399 O MET A 88 26.953 -4.831 -3.117 1.00 0.00 O ATOM 1400 CB MET A 88 27.906 -3.215 -0.505 1.00 0.00 C ATOM 1401 CG MET A 88 28.555 -4.589 -0.516 1.00 0.00 C ATOM 1402 SD MET A 88 27.627 -5.804 0.440 1.00 0.00 S ATOM 1403 CE MET A 88 28.815 -6.210 1.717 1.00 0.00 C ATOM 0 H MET A 88 25.746 -4.400 -0.195 1.00 0.00 H new ATOM 0 HA MET A 88 26.497 -2.025 -1.608 1.00 0.00 H new ATOM 0 HB2 MET A 88 28.660 -2.464 -0.743 1.00 0.00 H new ATOM 0 HB3 MET A 88 27.548 -2.999 0.502 1.00 0.00 H new ATOM 0 HG2 MET A 88 28.646 -4.935 -1.546 1.00 0.00 H new ATOM 0 HG3 MET A 88 29.566 -4.512 -0.115 1.00 0.00 H new ATOM 0 HE1 MET A 88 28.386 -6.953 2.390 1.00 0.00 H new ATOM 0 HE2 MET A 88 29.718 -6.614 1.259 1.00 0.00 H new ATOM 0 HE3 MET A 88 29.065 -5.311 2.281 1.00 0.00 H new ATOM 1413 N SER A 89 27.690 -2.786 -3.701 1.00 0.00 N ATOM 1414 CA SER A 89 28.111 -3.198 -5.034 1.00 0.00 C ATOM 1415 C SER A 89 29.276 -2.343 -5.524 1.00 0.00 C ATOM 1416 O SER A 89 29.536 -1.265 -4.991 1.00 0.00 O ATOM 1417 CB SER A 89 26.942 -3.098 -6.016 1.00 0.00 C ATOM 1418 OG SER A 89 27.081 -4.032 -7.072 1.00 0.00 O ATOM 0 H SER A 89 27.854 -1.801 -3.492 1.00 0.00 H new ATOM 0 HA SER A 89 28.441 -4.235 -4.979 1.00 0.00 H new ATOM 0 HB2 SER A 89 26.005 -3.277 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 89 26.891 -2.088 -6.424 1.00 0.00 H new ATOM 0 HG SER A 89 26.321 -3.949 -7.685 1.00 0.00 H new ATOM 1424 N ASN A 90 29.973 -2.833 -6.544 1.00 0.00 N ATOM 1425 CA ASN A 90 31.111 -2.115 -7.107 1.00 0.00 C ATOM 1426 C ASN A 90 30.803 -0.626 -7.241 1.00 0.00 C ATOM 1427 O ASN A 90 29.979 -0.225 -8.062 1.00 0.00 O ATOM 1428 CB ASN A 90 31.482 -2.695 -8.473 1.00 0.00 C ATOM 1429 CG ASN A 90 32.158 -1.676 -9.370 1.00 0.00 C ATOM 1430 OD1 ASN A 90 31.501 -0.819 -9.961 1.00 0.00 O ATOM 1431 ND2 ASN A 90 33.479 -1.765 -9.476 1.00 0.00 N ATOM 0 H ASN A 90 29.770 -3.724 -6.997 1.00 0.00 H new ATOM 0 HA ASN A 90 31.955 -2.234 -6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 90 32.145 -3.549 -8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 90 30.582 -3.066 -8.963 1.00 0.00 H new ATOM 0 HD21 ASN A 90 33.989 -1.107 -10.065 1.00 0.00 H new ATOM 0 HD22 ASN A 90 33.984 -2.491 -8.968 1.00 0.00 H new TER 1438 ASN A 90