USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 468 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 45 SER OG : rot -88:sc= 0.269 USER MOD Set 1.2: A 47 THR OG1 : rot -166:sc= -1.17! USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -1.84! USER MOD Set 2.2: A 19 HIS : no HD1:sc= -2.97 K(o=-4.8,f=-2.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.203 USER MOD Single : A 5 GLN : amide:sc= -0.334 K(o=-0.33,f=-2) USER MOD Single : A 7 ASN : amide:sc= -2.61! C(o=-2.6!,f=-4!) USER MOD Single : A 13 HIS : no HD1:sc= -2.39 X(o=-2.4,f=-2.3) USER MOD Single : A 14 SER OG : rot -5:sc= -0.507 USER MOD Single : A 15 TYR OH : rot 7:sc= 2.05 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 36 GLN : amide:sc= -2.74! C(o=-2.7!,f=-1.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -147:sc= -0.0164 (180deg=-0.113) USER MOD Single : A 44 GLN : amide:sc= -0.0359 K(o=-0.036,f=-1.2!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 61 LYS NZ :NH3+ 133:sc= -0.0989 (180deg=-1.21!) USER MOD Single : A 63 ASN : amide:sc= -0.166 K(o=-0.17,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.335 13.120 20.681 1.00 0.00 N ATOM 2 CA GLY A 1 -1.149 12.295 19.744 1.00 0.00 C ATOM 3 C GLY A 1 -0.430 10.972 19.473 1.00 0.00 C ATOM 4 O GLY A 1 -0.210 10.594 18.339 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.823 14.019 20.866 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.208 12.605 21.576 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.595 13.312 20.257 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.134 12.105 20.171 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.305 12.834 18.810 1.00 0.00 H new ATOM 10 N SER A 2 -0.060 10.265 20.505 1.00 0.00 N ATOM 11 CA SER A 2 0.645 8.965 20.306 1.00 0.00 C ATOM 12 C SER A 2 -0.284 7.960 19.618 1.00 0.00 C ATOM 13 O SER A 2 -1.446 7.856 19.956 1.00 0.00 O ATOM 14 CB SER A 2 1.003 8.489 21.714 1.00 0.00 C ATOM 15 OG SER A 2 0.095 9.052 22.650 1.00 0.00 O ATOM 0 H SER A 2 -0.215 10.530 21.478 1.00 0.00 H new ATOM 0 HA SER A 2 1.527 9.066 19.674 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.963 7.401 21.762 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.024 8.782 21.960 1.00 0.00 H new ATOM 0 HG SER A 2 0.323 8.745 23.552 1.00 0.00 H new ATOM 21 N PRO A 3 0.268 7.253 18.670 1.00 0.00 N ATOM 22 CA PRO A 3 -0.556 6.250 17.945 1.00 0.00 C ATOM 23 C PRO A 3 -1.238 5.303 18.935 1.00 0.00 C ATOM 24 O PRO A 3 -0.674 4.936 19.947 1.00 0.00 O ATOM 25 CB PRO A 3 0.453 5.496 17.084 1.00 0.00 C ATOM 26 CG PRO A 3 1.757 5.661 17.792 1.00 0.00 C ATOM 27 CD PRO A 3 1.705 6.990 18.497 1.00 0.00 C ATOM 0 HA PRO A 3 -1.352 6.704 17.355 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.184 4.444 16.990 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.496 5.906 16.075 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.915 4.851 18.505 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.587 5.630 17.086 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.221 6.952 19.456 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.185 7.772 17.908 1.00 0.00 H new ATOM 35 N LEU A 4 -2.449 4.907 18.654 1.00 0.00 N ATOM 36 CA LEU A 4 -3.166 3.985 19.580 1.00 0.00 C ATOM 37 C LEU A 4 -2.537 2.590 19.530 1.00 0.00 C ATOM 38 O LEU A 4 -2.525 1.868 20.508 1.00 0.00 O ATOM 39 CB LEU A 4 -4.604 3.943 19.062 1.00 0.00 C ATOM 40 CG LEU A 4 -5.212 5.344 19.131 1.00 0.00 C ATOM 41 CD1 LEU A 4 -6.660 5.297 18.638 1.00 0.00 C ATOM 42 CD2 LEU A 4 -5.182 5.843 20.577 1.00 0.00 C ATOM 0 H LEU A 4 -2.973 5.182 17.823 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.115 4.319 20.616 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.621 3.578 18.035 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.196 3.248 19.658 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.635 6.021 18.501 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.094 6.296 18.687 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.682 4.942 17.608 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.237 4.620 19.268 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.615 6.842 20.626 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.758 5.166 21.208 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.151 5.877 20.929 1.00 0.00 H new ATOM 54 N GLN A 5 -2.012 2.206 18.398 1.00 0.00 N ATOM 55 CA GLN A 5 -1.383 0.858 18.288 1.00 0.00 C ATOM 56 C GLN A 5 -2.342 -0.218 18.806 1.00 0.00 C ATOM 57 O GLN A 5 -1.972 -1.064 19.594 1.00 0.00 O ATOM 58 CB GLN A 5 -0.133 0.931 19.167 1.00 0.00 C ATOM 59 CG GLN A 5 0.796 2.026 18.641 1.00 0.00 C ATOM 60 CD GLN A 5 2.016 2.142 19.557 1.00 0.00 C ATOM 61 OE1 GLN A 5 1.939 1.842 20.732 1.00 0.00 O ATOM 62 NE2 GLN A 5 3.149 2.567 19.065 1.00 0.00 N ATOM 0 H GLN A 5 -1.991 2.766 17.546 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.142 0.598 17.257 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.413 1.141 20.199 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.382 -0.030 19.166 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.112 1.793 17.624 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.267 2.978 18.600 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.214 2.819 18.079 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.968 2.647 19.667 1.00 0.00 H new ATOM 71 N ASP A 6 -3.570 -0.190 18.368 1.00 0.00 N ATOM 72 CA ASP A 6 -4.552 -1.212 18.835 1.00 0.00 C ATOM 73 C ASP A 6 -4.114 -2.609 18.387 1.00 0.00 C ATOM 74 O ASP A 6 -4.323 -3.587 19.078 1.00 0.00 O ATOM 75 CB ASP A 6 -5.873 -0.825 18.171 1.00 0.00 C ATOM 76 CG ASP A 6 -6.346 0.521 18.721 1.00 0.00 C ATOM 77 OD1 ASP A 6 -5.800 0.954 19.723 1.00 0.00 O ATOM 78 OD2 ASP A 6 -7.246 1.096 18.132 1.00 0.00 O ATOM 0 H ASP A 6 -3.937 0.495 17.707 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.635 -1.239 19.921 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.745 -0.763 17.090 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.625 -1.591 18.359 1.00 0.00 H new ATOM 83 N ASN A 7 -3.510 -2.711 17.235 1.00 0.00 N ATOM 84 CA ASN A 7 -3.061 -4.046 16.744 1.00 0.00 C ATOM 85 C ASN A 7 -1.695 -4.398 17.338 1.00 0.00 C ATOM 86 O ASN A 7 -1.187 -5.485 17.149 1.00 0.00 O ATOM 87 CB ASN A 7 -2.965 -3.895 15.226 1.00 0.00 C ATOM 88 CG ASN A 7 -4.370 -3.913 14.621 1.00 0.00 C ATOM 89 OD1 ASN A 7 -5.339 -4.149 15.316 1.00 0.00 O ATOM 90 ND2 ASN A 7 -4.523 -3.669 13.348 1.00 0.00 N ATOM 0 H ASN A 7 -3.308 -1.929 16.612 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.745 -4.844 17.032 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.461 -2.962 14.974 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.367 -4.704 14.807 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.456 -3.676 12.936 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.710 -3.471 12.765 1.00 0.00 H new ATOM 97 N LEU A 8 -1.096 -3.488 18.057 1.00 0.00 N ATOM 98 CA LEU A 8 0.236 -3.775 18.662 1.00 0.00 C ATOM 99 C LEU A 8 0.076 -4.690 19.880 1.00 0.00 C ATOM 100 O LEU A 8 -0.855 -4.559 20.648 1.00 0.00 O ATOM 101 CB LEU A 8 0.780 -2.409 19.086 1.00 0.00 C ATOM 102 CG LEU A 8 2.193 -2.576 19.651 1.00 0.00 C ATOM 103 CD1 LEU A 8 3.213 -2.470 18.516 1.00 0.00 C ATOM 104 CD2 LEU A 8 2.462 -1.479 20.683 1.00 0.00 C ATOM 0 H LEU A 8 -1.471 -2.559 18.251 1.00 0.00 H new ATOM 0 HA LEU A 8 0.905 -4.283 17.968 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.796 -1.731 18.233 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.127 -1.962 19.836 1.00 0.00 H new ATOM 0 HG LEU A 8 2.281 -3.553 20.127 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.219 -2.589 18.919 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.022 -3.252 17.781 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.126 -1.494 18.039 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.468 -1.597 21.086 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.374 -0.502 20.207 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.736 -1.555 21.492 1.00 0.00 H new ATOM 116 N VAL A 9 0.978 -5.616 20.060 1.00 0.00 N ATOM 117 CA VAL A 9 0.874 -6.538 21.228 1.00 0.00 C ATOM 118 C VAL A 9 2.256 -7.080 21.601 1.00 0.00 C ATOM 119 O VAL A 9 3.227 -6.867 20.903 1.00 0.00 O ATOM 120 CB VAL A 9 -0.033 -7.675 20.759 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.442 -7.136 20.505 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.524 -8.272 19.465 1.00 0.00 C ATOM 0 H VAL A 9 1.781 -5.774 19.451 1.00 0.00 H new ATOM 0 HA VAL A 9 0.478 -6.037 22.111 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.073 -8.446 21.529 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.087 -7.948 20.171 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.841 -6.711 21.426 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.403 -6.364 19.737 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.123 -9.083 19.130 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.565 -7.500 18.696 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.527 -8.659 19.645 1.00 0.00 H new ATOM 132 N ILE A 10 2.348 -7.786 22.694 1.00 0.00 N ATOM 133 CA ILE A 10 3.663 -8.351 23.111 1.00 0.00 C ATOM 134 C ILE A 10 3.628 -9.877 23.007 1.00 0.00 C ATOM 135 O ILE A 10 2.612 -10.500 23.243 1.00 0.00 O ATOM 136 CB ILE A 10 3.841 -7.914 24.565 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.706 -6.393 24.660 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.226 -8.335 25.058 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.640 -5.978 26.132 1.00 0.00 C ATOM 0 H ILE A 10 1.569 -7.996 23.317 1.00 0.00 H new ATOM 0 HA ILE A 10 4.484 -8.005 22.483 1.00 0.00 H new ATOM 0 HB ILE A 10 3.077 -8.386 25.183 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.553 -5.911 24.173 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.808 -6.063 24.137 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.353 -8.024 26.095 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.323 -9.419 24.990 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.991 -7.863 24.441 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.544 -4.894 26.201 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.778 -6.449 26.605 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.551 -6.294 26.640 1.00 0.00 H new ATOM 151 N ALA A 11 4.725 -10.488 22.653 1.00 0.00 N ATOM 152 CA ALA A 11 4.740 -11.973 22.533 1.00 0.00 C ATOM 153 C ALA A 11 4.887 -12.615 23.914 1.00 0.00 C ATOM 154 O ALA A 11 5.921 -12.522 24.545 1.00 0.00 O ATOM 155 CB ALA A 11 5.958 -12.287 21.663 1.00 0.00 C ATOM 0 H ALA A 11 5.609 -10.025 22.442 1.00 0.00 H new ATOM 0 HA ALA A 11 3.818 -12.361 22.100 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.040 -13.365 21.527 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.845 -11.806 20.691 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.859 -11.914 22.150 1.00 0.00 H new ATOM 161 N LEU A 12 3.867 -13.276 24.387 1.00 0.00 N ATOM 162 CA LEU A 12 3.964 -13.930 25.722 1.00 0.00 C ATOM 163 C LEU A 12 5.016 -15.039 25.668 1.00 0.00 C ATOM 164 O LEU A 12 5.645 -15.366 26.655 1.00 0.00 O ATOM 165 CB LEU A 12 2.575 -14.515 25.982 1.00 0.00 C ATOM 166 CG LEU A 12 1.632 -13.403 26.443 1.00 0.00 C ATOM 167 CD1 LEU A 12 1.071 -12.669 25.223 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.480 -14.011 27.246 1.00 0.00 C ATOM 0 H LEU A 12 2.973 -13.391 23.909 1.00 0.00 H new ATOM 0 HA LEU A 12 4.260 -13.238 26.510 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.189 -14.981 25.075 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.633 -15.295 26.741 1.00 0.00 H new ATOM 0 HG LEU A 12 2.181 -12.699 27.069 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.399 -11.877 25.552 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.891 -12.235 24.651 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.523 -13.372 24.596 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.192 -13.219 27.575 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.068 -14.715 26.620 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.879 -14.533 28.116 1.00 0.00 H new ATOM 180 N HIS A 13 5.208 -15.615 24.515 1.00 0.00 N ATOM 181 CA HIS A 13 6.218 -16.701 24.373 1.00 0.00 C ATOM 182 C HIS A 13 6.691 -16.782 22.920 1.00 0.00 C ATOM 183 O HIS A 13 6.007 -16.349 22.013 1.00 0.00 O ATOM 184 CB HIS A 13 5.478 -17.978 24.769 1.00 0.00 C ATOM 185 CG HIS A 13 5.313 -18.021 26.263 1.00 0.00 C ATOM 186 ND1 HIS A 13 4.070 -17.938 26.872 1.00 0.00 N ATOM 187 CD2 HIS A 13 6.224 -18.136 27.284 1.00 0.00 C ATOM 188 CE1 HIS A 13 4.265 -18.004 28.202 1.00 0.00 C ATOM 189 NE2 HIS A 13 5.560 -18.126 28.508 1.00 0.00 N ATOM 0 H HIS A 13 4.706 -15.379 23.659 1.00 0.00 H new ATOM 0 HA HIS A 13 7.102 -16.536 24.989 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.502 -18.011 24.284 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.033 -18.852 24.429 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.293 -18.221 27.157 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.471 -17.963 28.933 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.973 -18.197 29.438 1.00 0.00 H new ATOM 197 N SER A 14 7.849 -17.334 22.686 1.00 0.00 N ATOM 198 CA SER A 14 8.348 -17.437 21.284 1.00 0.00 C ATOM 199 C SER A 14 7.438 -18.361 20.473 1.00 0.00 C ATOM 200 O SER A 14 6.979 -19.374 20.961 1.00 0.00 O ATOM 201 CB SER A 14 9.751 -18.034 21.406 1.00 0.00 C ATOM 202 OG SER A 14 10.425 -17.917 20.160 1.00 0.00 O ATOM 0 H SER A 14 8.469 -17.717 23.400 1.00 0.00 H new ATOM 0 HA SER A 14 8.361 -16.474 20.774 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.311 -17.517 22.185 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.688 -19.082 21.701 1.00 0.00 H new ATOM 0 HG SER A 14 9.811 -17.552 19.489 1.00 0.00 H new ATOM 208 N TYR A 15 7.170 -18.027 19.239 1.00 0.00 N ATOM 209 CA TYR A 15 6.286 -18.902 18.417 1.00 0.00 C ATOM 210 C TYR A 15 7.122 -19.880 17.588 1.00 0.00 C ATOM 211 O TYR A 15 8.249 -19.601 17.230 1.00 0.00 O ATOM 212 CB TYR A 15 5.513 -17.950 17.506 1.00 0.00 C ATOM 213 CG TYR A 15 4.606 -18.751 16.605 1.00 0.00 C ATOM 214 CD1 TYR A 15 3.463 -19.361 17.130 1.00 0.00 C ATOM 215 CD2 TYR A 15 4.911 -18.888 15.246 1.00 0.00 C ATOM 216 CE1 TYR A 15 2.622 -20.109 16.296 1.00 0.00 C ATOM 217 CE2 TYR A 15 4.072 -19.635 14.412 1.00 0.00 C ATOM 218 CZ TYR A 15 2.927 -20.246 14.937 1.00 0.00 C ATOM 219 OH TYR A 15 2.098 -20.983 14.114 1.00 0.00 O ATOM 0 H TYR A 15 7.522 -17.193 18.768 1.00 0.00 H new ATOM 0 HA TYR A 15 5.619 -19.503 19.035 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.927 -17.252 18.104 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.206 -17.356 16.909 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.228 -19.256 18.179 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.794 -18.417 14.841 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.739 -20.580 16.702 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.308 -19.740 13.363 1.00 0.00 H new ATOM 0 HH TYR A 15 1.294 -21.245 14.609 1.00 0.00 H new ATOM 229 N GLU A 16 6.574 -21.024 17.280 1.00 0.00 N ATOM 230 CA GLU A 16 7.332 -22.023 16.473 1.00 0.00 C ATOM 231 C GLU A 16 6.662 -22.214 15.108 1.00 0.00 C ATOM 232 O GLU A 16 5.777 -23.031 14.959 1.00 0.00 O ATOM 233 CB GLU A 16 7.273 -23.316 17.286 1.00 0.00 C ATOM 234 CG GLU A 16 8.053 -24.413 16.558 1.00 0.00 C ATOM 235 CD GLU A 16 9.546 -24.258 16.855 1.00 0.00 C ATOM 236 OE1 GLU A 16 9.998 -23.128 16.945 1.00 0.00 O ATOM 237 OE2 GLU A 16 10.211 -25.272 16.988 1.00 0.00 O ATOM 0 H GLU A 16 5.634 -21.310 17.552 1.00 0.00 H new ATOM 0 HA GLU A 16 8.358 -21.709 16.283 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.694 -23.154 18.278 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.237 -23.623 17.425 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.707 -25.395 16.880 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.876 -24.349 15.484 1.00 0.00 H new ATOM 244 N PRO A 17 7.112 -21.443 14.157 1.00 0.00 N ATOM 245 CA PRO A 17 6.523 -21.550 12.796 1.00 0.00 C ATOM 246 C PRO A 17 6.697 -22.969 12.247 1.00 0.00 C ATOM 247 O PRO A 17 7.797 -23.418 11.996 1.00 0.00 O ATOM 248 CB PRO A 17 7.324 -20.550 11.967 1.00 0.00 C ATOM 249 CG PRO A 17 8.628 -20.421 12.680 1.00 0.00 C ATOM 250 CD PRO A 17 8.354 -20.654 14.141 1.00 0.00 C ATOM 0 HA PRO A 17 5.453 -21.344 12.782 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.465 -20.906 10.946 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.812 -19.590 11.902 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.348 -21.147 12.302 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.059 -19.432 12.521 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.173 -21.192 14.618 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.234 -19.713 14.678 1.00 0.00 H new ATOM 258 N SER A 18 5.617 -23.676 12.056 1.00 0.00 N ATOM 259 CA SER A 18 5.719 -25.063 11.520 1.00 0.00 C ATOM 260 C SER A 18 5.669 -25.038 9.990 1.00 0.00 C ATOM 261 O SER A 18 5.533 -26.058 9.346 1.00 0.00 O ATOM 262 CB SER A 18 4.505 -25.800 12.087 1.00 0.00 C ATOM 263 OG SER A 18 3.325 -25.317 11.462 1.00 0.00 O ATOM 0 H SER A 18 4.669 -23.353 12.248 1.00 0.00 H new ATOM 0 HA SER A 18 6.654 -25.549 11.801 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.606 -26.872 11.919 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.446 -25.650 13.165 1.00 0.00 H new ATOM 0 HG SER A 18 2.546 -25.790 11.823 1.00 0.00 H new ATOM 269 N HIS A 19 5.780 -23.876 9.405 1.00 0.00 N ATOM 270 CA HIS A 19 5.738 -23.781 7.918 1.00 0.00 C ATOM 271 C HIS A 19 6.659 -22.657 7.435 1.00 0.00 C ATOM 272 O HIS A 19 7.335 -22.017 8.216 1.00 0.00 O ATOM 273 CB HIS A 19 4.281 -23.459 7.583 1.00 0.00 C ATOM 274 CG HIS A 19 3.402 -24.595 8.025 1.00 0.00 C ATOM 275 ND1 HIS A 19 3.457 -25.847 7.433 1.00 0.00 N ATOM 276 CD2 HIS A 19 2.441 -24.686 9.001 1.00 0.00 C ATOM 277 CE1 HIS A 19 2.554 -26.629 8.052 1.00 0.00 C ATOM 278 NE2 HIS A 19 1.907 -25.971 9.016 1.00 0.00 N ATOM 0 H HIS A 19 5.898 -22.988 9.893 1.00 0.00 H new ATOM 0 HA HIS A 19 6.075 -24.699 7.436 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.978 -22.537 8.079 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.171 -23.296 6.511 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.144 -23.882 9.658 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.375 -27.664 7.799 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.178 -26.332 9.631 1.00 0.00 H new ATOM 286 N ASP A 20 6.688 -22.409 6.154 1.00 0.00 N ATOM 287 CA ASP A 20 7.563 -21.325 5.624 1.00 0.00 C ATOM 288 C ASP A 20 6.736 -20.065 5.353 1.00 0.00 C ATOM 289 O ASP A 20 5.824 -20.072 4.551 1.00 0.00 O ATOM 290 CB ASP A 20 8.139 -21.881 4.321 1.00 0.00 C ATOM 291 CG ASP A 20 9.020 -20.820 3.658 1.00 0.00 C ATOM 292 OD1 ASP A 20 9.424 -19.898 4.348 1.00 0.00 O ATOM 293 OD2 ASP A 20 9.275 -20.948 2.472 1.00 0.00 O ATOM 0 H ASP A 20 6.144 -22.910 5.452 1.00 0.00 H new ATOM 0 HA ASP A 20 8.347 -21.045 6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.723 -22.779 4.523 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.332 -22.170 3.648 1.00 0.00 H new ATOM 298 N GLY A 21 7.046 -18.984 6.015 1.00 0.00 N ATOM 299 CA GLY A 21 6.277 -17.729 5.795 1.00 0.00 C ATOM 300 C GLY A 21 5.736 -17.222 7.134 1.00 0.00 C ATOM 301 O GLY A 21 5.303 -16.092 7.252 1.00 0.00 O ATOM 0 H GLY A 21 7.800 -18.917 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.916 -16.973 5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.454 -17.910 5.103 1.00 0.00 H new ATOM 305 N ASP A 22 5.759 -18.048 8.144 1.00 0.00 N ATOM 306 CA ASP A 22 5.247 -17.613 9.475 1.00 0.00 C ATOM 307 C ASP A 22 6.344 -16.886 10.255 1.00 0.00 C ATOM 308 O ASP A 22 7.481 -16.820 9.831 1.00 0.00 O ATOM 309 CB ASP A 22 4.849 -18.906 10.186 1.00 0.00 C ATOM 310 CG ASP A 22 3.738 -19.602 9.398 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.291 -19.035 8.415 1.00 0.00 O ATOM 312 OD2 ASP A 22 3.353 -20.692 9.791 1.00 0.00 O ATOM 0 H ASP A 22 6.110 -19.005 8.105 1.00 0.00 H new ATOM 0 HA ASP A 22 4.410 -16.920 9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.713 -19.565 10.276 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.509 -18.687 11.198 1.00 0.00 H new ATOM 317 N LEU A 23 6.013 -16.342 11.393 1.00 0.00 N ATOM 318 CA LEU A 23 7.035 -15.618 12.204 1.00 0.00 C ATOM 319 C LEU A 23 7.208 -16.304 13.563 1.00 0.00 C ATOM 320 O LEU A 23 6.267 -16.455 14.315 1.00 0.00 O ATOM 321 CB LEU A 23 6.473 -14.207 12.377 1.00 0.00 C ATOM 322 CG LEU A 23 7.575 -13.277 12.887 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.655 -13.129 11.814 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.978 -11.904 13.202 1.00 0.00 C ATOM 0 H LEU A 23 5.077 -16.367 11.798 1.00 0.00 H new ATOM 0 HA LEU A 23 8.015 -15.608 11.728 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.084 -13.840 11.427 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.640 -14.220 13.079 1.00 0.00 H new ATOM 0 HG LEU A 23 8.016 -13.698 13.791 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.440 -12.466 12.177 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.081 -14.107 11.589 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.215 -12.708 10.910 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.763 -11.241 13.566 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.537 -11.483 12.298 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.208 -12.009 13.967 1.00 0.00 H new ATOM 336 N GLY A 24 8.404 -16.721 13.882 1.00 0.00 N ATOM 337 CA GLY A 24 8.635 -17.400 15.190 1.00 0.00 C ATOM 338 C GLY A 24 9.283 -16.423 16.171 1.00 0.00 C ATOM 339 O GLY A 24 10.349 -16.674 16.699 1.00 0.00 O ATOM 0 H GLY A 24 9.231 -16.621 13.293 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.690 -17.763 15.594 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.277 -18.270 15.051 1.00 0.00 H new ATOM 343 N PHE A 25 8.653 -15.309 16.419 1.00 0.00 N ATOM 344 CA PHE A 25 9.229 -14.307 17.363 1.00 0.00 C ATOM 345 C PHE A 25 9.555 -14.953 18.711 1.00 0.00 C ATOM 346 O PHE A 25 9.250 -16.104 18.951 1.00 0.00 O ATOM 347 CB PHE A 25 8.131 -13.254 17.530 1.00 0.00 C ATOM 348 CG PHE A 25 6.860 -13.914 18.021 1.00 0.00 C ATOM 349 CD1 PHE A 25 5.924 -14.409 17.102 1.00 0.00 C ATOM 350 CD2 PHE A 25 6.618 -14.032 19.395 1.00 0.00 C ATOM 351 CE1 PHE A 25 4.749 -15.020 17.558 1.00 0.00 C ATOM 352 CE2 PHE A 25 5.441 -14.643 19.849 1.00 0.00 C ATOM 353 CZ PHE A 25 4.508 -15.136 18.931 1.00 0.00 C ATOM 0 H PHE A 25 7.758 -15.047 16.006 1.00 0.00 H new ATOM 0 HA PHE A 25 10.161 -13.883 16.989 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.452 -12.490 18.238 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.948 -12.752 16.580 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.109 -14.319 16.042 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.338 -13.652 20.105 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.029 -15.402 16.849 1.00 0.00 H new ATOM 0 HE2 PHE A 25 5.254 -14.733 20.909 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.601 -15.606 19.282 1.00 0.00 H new ATOM 363 N GLU A 26 10.175 -14.214 19.592 1.00 0.00 N ATOM 364 CA GLU A 26 10.525 -14.772 20.930 1.00 0.00 C ATOM 365 C GLU A 26 9.628 -14.157 22.009 1.00 0.00 C ATOM 366 O GLU A 26 8.774 -13.338 21.730 1.00 0.00 O ATOM 367 CB GLU A 26 11.985 -14.378 21.155 1.00 0.00 C ATOM 368 CG GLU A 26 12.848 -14.952 20.030 1.00 0.00 C ATOM 369 CD GLU A 26 12.906 -16.476 20.159 1.00 0.00 C ATOM 370 OE1 GLU A 26 12.515 -16.977 21.200 1.00 0.00 O ATOM 371 OE2 GLU A 26 13.343 -17.114 19.215 1.00 0.00 O ATOM 0 H GLU A 26 10.455 -13.245 19.442 1.00 0.00 H new ATOM 0 HA GLU A 26 10.384 -15.852 20.978 1.00 0.00 H new ATOM 0 HB2 GLU A 26 12.080 -13.292 21.182 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.329 -14.752 22.119 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.433 -14.674 19.061 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.853 -14.534 20.079 1.00 0.00 H new ATOM 378 N LYS A 27 9.821 -14.540 23.242 1.00 0.00 N ATOM 379 CA LYS A 27 8.982 -13.974 24.337 1.00 0.00 C ATOM 380 C LYS A 27 9.304 -12.493 24.543 1.00 0.00 C ATOM 381 O LYS A 27 10.452 -12.097 24.587 1.00 0.00 O ATOM 382 CB LYS A 27 9.357 -14.782 25.580 1.00 0.00 C ATOM 383 CG LYS A 27 8.668 -14.178 26.806 1.00 0.00 C ATOM 384 CD LYS A 27 8.529 -15.248 27.892 1.00 0.00 C ATOM 385 CE LYS A 27 7.537 -14.770 28.953 1.00 0.00 C ATOM 386 NZ LYS A 27 8.368 -14.039 29.951 1.00 0.00 N ATOM 0 H LYS A 27 10.522 -15.219 23.538 1.00 0.00 H new ATOM 0 HA LYS A 27 7.917 -14.037 24.114 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.056 -15.822 25.456 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.438 -14.777 25.718 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.247 -13.335 27.183 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.686 -13.793 26.532 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.185 -16.185 27.453 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.499 -15.447 28.348 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.777 -14.120 28.519 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.014 -15.609 29.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.759 -13.679 30.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.078 -14.685 30.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.848 -13.242 29.486 1.00 0.00 H new ATOM 400 N GLY A 28 8.298 -11.672 24.669 1.00 0.00 N ATOM 401 CA GLY A 28 8.543 -10.217 24.873 1.00 0.00 C ATOM 402 C GLY A 28 8.659 -9.523 23.515 1.00 0.00 C ATOM 403 O GLY A 28 8.627 -8.313 23.423 1.00 0.00 O ATOM 0 H GLY A 28 7.316 -11.946 24.639 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.729 -9.778 25.449 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.457 -10.069 25.448 1.00 0.00 H new ATOM 407 N GLU A 29 8.799 -10.279 22.459 1.00 0.00 N ATOM 408 CA GLU A 29 8.923 -9.653 21.112 1.00 0.00 C ATOM 409 C GLU A 29 7.657 -8.863 20.772 1.00 0.00 C ATOM 410 O GLU A 29 6.565 -9.395 20.765 1.00 0.00 O ATOM 411 CB GLU A 29 9.099 -10.825 20.145 1.00 0.00 C ATOM 412 CG GLU A 29 9.590 -10.301 18.795 1.00 0.00 C ATOM 413 CD GLU A 29 10.864 -9.479 18.998 1.00 0.00 C ATOM 414 OE1 GLU A 29 11.648 -9.841 19.859 1.00 0.00 O ATOM 415 OE2 GLU A 29 11.033 -8.499 18.289 1.00 0.00 O ATOM 0 H GLU A 29 8.833 -11.298 22.471 1.00 0.00 H new ATOM 0 HA GLU A 29 9.756 -8.951 21.060 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.813 -11.541 20.551 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.154 -11.353 20.020 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.786 -11.134 18.119 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.819 -9.687 18.329 1.00 0.00 H new ATOM 422 N GLN A 30 7.797 -7.597 20.487 1.00 0.00 N ATOM 423 CA GLN A 30 6.601 -6.775 20.144 1.00 0.00 C ATOM 424 C GLN A 30 6.204 -7.017 18.686 1.00 0.00 C ATOM 425 O GLN A 30 7.040 -7.069 17.806 1.00 0.00 O ATOM 426 CB GLN A 30 7.045 -5.325 20.346 1.00 0.00 C ATOM 427 CG GLN A 30 7.293 -5.069 21.834 1.00 0.00 C ATOM 428 CD GLN A 30 7.750 -3.623 22.035 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.169 -2.971 21.098 1.00 0.00 O ATOM 430 NE2 GLN A 30 7.687 -3.091 23.224 1.00 0.00 N ATOM 0 H GLN A 30 8.686 -7.097 20.477 1.00 0.00 H new ATOM 0 HA GLN A 30 5.735 -7.023 20.758 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.953 -5.129 19.776 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.281 -4.644 19.972 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.382 -5.256 22.403 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.050 -5.756 22.211 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.335 -3.638 24.010 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.989 -2.128 23.368 1.00 0.00 H new ATOM 439 N LEU A 31 4.935 -7.171 18.422 1.00 0.00 N ATOM 440 CA LEU A 31 4.493 -7.414 17.019 1.00 0.00 C ATOM 441 C LEU A 31 3.220 -6.620 16.715 1.00 0.00 C ATOM 442 O LEU A 31 2.507 -6.203 17.606 1.00 0.00 O ATOM 443 CB LEU A 31 4.211 -8.916 16.944 1.00 0.00 C ATOM 444 CG LEU A 31 5.363 -9.690 17.590 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.960 -11.157 17.755 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.603 -9.600 16.699 1.00 0.00 C ATOM 0 H LEU A 31 4.187 -7.139 19.115 1.00 0.00 H new ATOM 0 HA LEU A 31 5.245 -7.101 16.295 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.275 -9.146 17.453 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.092 -9.222 15.905 1.00 0.00 H new ATOM 0 HG LEU A 31 5.586 -9.261 18.567 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.779 -11.710 18.215 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.076 -11.222 18.390 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.737 -11.585 16.778 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.423 -10.151 17.160 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.381 -10.029 15.722 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.890 -8.555 16.580 1.00 0.00 H new ATOM 458 N ARG A 32 2.927 -6.419 15.461 1.00 0.00 N ATOM 459 CA ARG A 32 1.697 -5.663 15.091 1.00 0.00 C ATOM 460 C ARG A 32 0.644 -6.634 14.548 1.00 0.00 C ATOM 461 O ARG A 32 0.940 -7.486 13.738 1.00 0.00 O ATOM 462 CB ARG A 32 2.144 -4.686 14.004 1.00 0.00 C ATOM 463 CG ARG A 32 0.919 -4.153 13.258 1.00 0.00 C ATOM 464 CD ARG A 32 0.082 -3.291 14.205 1.00 0.00 C ATOM 465 NE ARG A 32 -0.700 -2.392 13.311 1.00 0.00 N ATOM 466 CZ ARG A 32 -0.770 -1.114 13.569 1.00 0.00 C ATOM 467 NH1 ARG A 32 -0.609 -0.686 14.791 1.00 0.00 N ATOM 468 NH2 ARG A 32 -1.003 -0.265 12.606 1.00 0.00 N ATOM 0 H ARG A 32 3.487 -6.746 14.674 1.00 0.00 H new ATOM 0 HA ARG A 32 1.251 -5.143 15.939 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.699 -3.860 14.449 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.818 -5.185 13.308 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.232 -3.565 12.395 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.321 -4.982 12.879 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.575 -3.904 14.822 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.715 -2.720 14.884 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.181 -2.775 12.497 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.429 -1.350 15.544 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.664 0.312 14.993 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.131 -0.600 11.651 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.058 0.733 12.808 1.00 0.00 H new ATOM 482 N ILE A 33 -0.579 -6.517 14.988 1.00 0.00 N ATOM 483 CA ILE A 33 -1.639 -7.445 14.494 1.00 0.00 C ATOM 484 C ILE A 33 -2.413 -6.807 13.336 1.00 0.00 C ATOM 485 O ILE A 33 -3.368 -6.085 13.538 1.00 0.00 O ATOM 486 CB ILE A 33 -2.558 -7.671 15.695 1.00 0.00 C ATOM 487 CG1 ILE A 33 -1.755 -8.289 16.841 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.692 -8.618 15.297 1.00 0.00 C ATOM 489 CD1 ILE A 33 -2.699 -8.642 17.992 1.00 0.00 C ATOM 0 H ILE A 33 -0.891 -5.822 15.666 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.223 -8.379 14.116 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.977 -6.718 16.018 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.236 -9.183 16.495 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.992 -7.590 17.183 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.348 -8.780 16.152 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.263 -8.178 14.480 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.274 -9.572 14.975 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.128 -9.082 18.809 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.198 -7.739 18.344 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.445 -9.357 17.645 1.00 0.00 H new ATOM 501 N LEU A 34 -1.999 -7.060 12.124 1.00 0.00 N ATOM 502 CA LEU A 34 -2.702 -6.458 10.953 1.00 0.00 C ATOM 503 C LEU A 34 -3.985 -7.234 10.636 1.00 0.00 C ATOM 504 O LEU A 34 -4.914 -6.699 10.061 1.00 0.00 O ATOM 505 CB LEU A 34 -1.709 -6.572 9.796 1.00 0.00 C ATOM 506 CG LEU A 34 -0.391 -5.900 10.187 1.00 0.00 C ATOM 507 CD1 LEU A 34 0.741 -6.927 10.132 1.00 0.00 C ATOM 508 CD2 LEU A 34 -0.093 -4.759 9.212 1.00 0.00 C ATOM 0 H LEU A 34 -1.205 -7.657 11.893 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.999 -5.426 11.141 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.537 -7.620 9.552 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.119 -6.100 8.903 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.471 -5.502 11.199 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.680 -6.449 10.410 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.528 -7.740 10.826 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.822 -7.325 9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.846 -4.279 9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.012 -5.157 8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.900 -4.027 9.251 1.00 0.00 H new ATOM 520 N GLU A 35 -4.052 -8.484 11.004 1.00 0.00 N ATOM 521 CA GLU A 35 -5.282 -9.274 10.717 1.00 0.00 C ATOM 522 C GLU A 35 -5.680 -10.100 11.944 1.00 0.00 C ATOM 523 O GLU A 35 -4.851 -10.706 12.592 1.00 0.00 O ATOM 524 CB GLU A 35 -4.907 -10.188 9.549 1.00 0.00 C ATOM 525 CG GLU A 35 -6.164 -10.881 9.020 1.00 0.00 C ATOM 526 CD GLU A 35 -5.763 -11.980 8.033 1.00 0.00 C ATOM 527 OE1 GLU A 35 -4.576 -12.130 7.795 1.00 0.00 O ATOM 528 OE2 GLU A 35 -6.650 -12.650 7.530 1.00 0.00 O ATOM 0 H GLU A 35 -3.311 -8.991 11.489 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.133 -8.637 10.475 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.437 -9.607 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.179 -10.931 9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.732 -11.309 9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.813 -10.156 8.529 1.00 0.00 H new ATOM 535 N GLN A 36 -6.943 -10.124 12.268 1.00 0.00 N ATOM 536 CA GLN A 36 -7.395 -10.906 13.453 1.00 0.00 C ATOM 537 C GLN A 36 -8.608 -11.764 13.088 1.00 0.00 C ATOM 538 O GLN A 36 -9.638 -11.707 13.730 1.00 0.00 O ATOM 539 CB GLN A 36 -7.775 -9.859 14.501 1.00 0.00 C ATOM 540 CG GLN A 36 -6.564 -8.975 14.803 1.00 0.00 C ATOM 541 CD GLN A 36 -7.026 -7.707 15.524 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.131 -7.245 15.316 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.224 -7.122 16.369 1.00 0.00 N ATOM 0 H GLN A 36 -7.682 -9.635 11.763 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.623 -11.584 13.818 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.602 -9.249 14.138 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.117 -10.349 15.413 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.849 -9.518 15.421 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.051 -8.714 13.877 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.297 -7.509 16.544 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.524 -6.277 16.855 1.00 0.00 H new ATOM 552 N SER A 37 -8.493 -12.560 12.061 1.00 0.00 N ATOM 553 CA SER A 37 -9.639 -13.424 11.654 1.00 0.00 C ATOM 554 C SER A 37 -9.268 -14.900 11.815 1.00 0.00 C ATOM 555 O SER A 37 -8.174 -15.315 11.491 1.00 0.00 O ATOM 556 CB SER A 37 -9.883 -13.088 10.183 1.00 0.00 C ATOM 557 OG SER A 37 -10.266 -11.726 10.065 1.00 0.00 O ATOM 0 H SER A 37 -7.656 -12.650 11.486 1.00 0.00 H new ATOM 0 HA SER A 37 -10.526 -13.251 12.263 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.980 -13.274 9.602 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.662 -13.732 9.776 1.00 0.00 H new ATOM 0 HG SER A 37 -10.421 -11.510 9.122 1.00 0.00 H new ATOM 563 N GLY A 38 -10.173 -15.697 12.315 1.00 0.00 N ATOM 564 CA GLY A 38 -9.871 -17.145 12.497 1.00 0.00 C ATOM 565 C GLY A 38 -9.007 -17.329 13.746 1.00 0.00 C ATOM 566 O GLY A 38 -8.773 -16.400 14.493 1.00 0.00 O ATOM 0 H GLY A 38 -11.107 -15.408 12.605 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.797 -17.712 12.595 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.351 -17.533 11.621 1.00 0.00 H new ATOM 570 N GLU A 39 -8.529 -18.520 13.979 1.00 0.00 N ATOM 571 CA GLU A 39 -7.680 -18.762 15.181 1.00 0.00 C ATOM 572 C GLU A 39 -6.298 -18.131 14.989 1.00 0.00 C ATOM 573 O GLU A 39 -5.689 -17.650 15.923 1.00 0.00 O ATOM 574 CB GLU A 39 -7.569 -20.283 15.289 1.00 0.00 C ATOM 575 CG GLU A 39 -8.960 -20.880 15.505 1.00 0.00 C ATOM 576 CD GLU A 39 -8.846 -22.398 15.654 1.00 0.00 C ATOM 577 OE1 GLU A 39 -7.783 -22.924 15.366 1.00 0.00 O ATOM 578 OE2 GLU A 39 -9.823 -23.010 16.054 1.00 0.00 O ATOM 0 H GLU A 39 -8.689 -19.337 13.389 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.105 -18.321 16.083 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.123 -20.691 14.382 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.913 -20.553 16.117 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.418 -20.450 16.396 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.608 -20.634 14.663 1.00 0.00 H new ATOM 585 N TRP A 40 -5.799 -18.130 13.783 1.00 0.00 N ATOM 586 CA TRP A 40 -4.456 -17.531 13.532 1.00 0.00 C ATOM 587 C TRP A 40 -4.606 -16.093 13.028 1.00 0.00 C ATOM 588 O TRP A 40 -5.515 -15.777 12.286 1.00 0.00 O ATOM 589 CB TRP A 40 -3.823 -18.412 12.455 1.00 0.00 C ATOM 590 CG TRP A 40 -3.559 -19.772 13.017 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.331 -20.863 12.808 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.463 -20.204 13.874 1.00 0.00 C ATOM 593 NE1 TRP A 40 -3.779 -21.937 13.482 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.626 -21.581 14.154 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.354 -19.541 14.429 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -1.721 -22.277 14.957 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.441 -20.237 15.238 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.625 -21.602 15.501 1.00 0.00 C ATOM 0 H TRP A 40 -6.262 -18.518 12.961 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.847 -17.491 14.435 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.487 -18.485 11.593 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.893 -17.965 12.104 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.231 -20.891 12.212 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.175 -22.877 13.483 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.203 -18.490 14.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.867 -23.328 15.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.407 -19.718 15.660 1.00 0.00 H new ATOM 0 HH2 TRP A 40 0.080 -22.132 16.124 1.00 0.00 H new ATOM 609 N TRP A 41 -3.718 -15.221 13.423 1.00 0.00 N ATOM 610 CA TRP A 41 -3.806 -13.803 12.967 1.00 0.00 C ATOM 611 C TRP A 41 -2.522 -13.405 12.237 1.00 0.00 C ATOM 612 O TRP A 41 -1.470 -13.970 12.459 1.00 0.00 O ATOM 613 CB TRP A 41 -3.964 -12.984 14.250 1.00 0.00 C ATOM 614 CG TRP A 41 -5.294 -13.270 14.871 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.354 -13.809 14.226 1.00 0.00 C ATOM 616 CD2 TRP A 41 -5.725 -13.039 16.243 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.408 -13.925 15.115 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.069 -13.464 16.372 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.087 -12.509 17.380 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -7.755 -13.366 17.583 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -5.776 -12.408 18.600 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.107 -12.836 18.701 1.00 0.00 C ATOM 0 H TRP A 41 -2.935 -15.429 14.042 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.632 -13.642 12.274 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.165 -13.229 14.950 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.877 -11.921 14.027 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.374 -14.101 13.186 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.323 -14.304 14.872 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.061 -12.178 17.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.780 -13.698 17.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.277 -11.998 19.466 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.631 -12.756 19.642 1.00 0.00 H new ATOM 633 N LYS A 42 -2.597 -12.427 11.378 1.00 0.00 N ATOM 634 CA LYS A 42 -1.379 -11.982 10.647 1.00 0.00 C ATOM 635 C LYS A 42 -0.769 -10.782 11.369 1.00 0.00 C ATOM 636 O LYS A 42 -1.475 -9.933 11.880 1.00 0.00 O ATOM 637 CB LYS A 42 -1.869 -11.583 9.255 1.00 0.00 C ATOM 638 CG LYS A 42 -0.667 -11.388 8.329 1.00 0.00 C ATOM 639 CD LYS A 42 -1.127 -10.731 7.026 1.00 0.00 C ATOM 640 CE LYS A 42 -0.007 -10.821 5.988 1.00 0.00 C ATOM 641 NZ LYS A 42 0.982 -9.786 6.402 1.00 0.00 N ATOM 0 H LYS A 42 -3.450 -11.916 11.151 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.614 -12.756 10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.529 -12.353 8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.451 -10.663 9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.084 -10.766 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.197 -12.349 8.118 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.024 -11.226 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.389 -9.688 7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.442 -11.814 5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.383 -10.629 4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.439 -9.385 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.495 -9.030 6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.703 -10.220 7.013 1.00 0.00 H new ATOM 655 N ALA A 43 0.529 -10.699 11.431 1.00 0.00 N ATOM 656 CA ALA A 43 1.147 -9.545 12.140 1.00 0.00 C ATOM 657 C ALA A 43 2.506 -9.191 11.532 1.00 0.00 C ATOM 658 O ALA A 43 3.013 -9.878 10.668 1.00 0.00 O ATOM 659 CB ALA A 43 1.316 -10.019 13.584 1.00 0.00 C ATOM 0 H ALA A 43 1.182 -11.370 11.027 1.00 0.00 H new ATOM 0 HA ALA A 43 0.533 -8.647 12.066 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.767 -9.224 14.177 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.341 -10.273 14.000 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.960 -10.898 13.605 1.00 0.00 H new ATOM 665 N GLN A 44 3.096 -8.122 11.989 1.00 0.00 N ATOM 666 CA GLN A 44 4.423 -7.707 11.456 1.00 0.00 C ATOM 667 C GLN A 44 5.324 -7.255 12.606 1.00 0.00 C ATOM 668 O GLN A 44 4.866 -6.690 13.579 1.00 0.00 O ATOM 669 CB GLN A 44 4.123 -6.541 10.513 1.00 0.00 C ATOM 670 CG GLN A 44 5.432 -6.006 9.927 1.00 0.00 C ATOM 671 CD GLN A 44 5.141 -4.772 9.073 1.00 0.00 C ATOM 672 OE1 GLN A 44 3.997 -4.419 8.863 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.135 -4.093 8.568 1.00 0.00 N ATOM 0 H GLN A 44 2.713 -7.514 12.713 1.00 0.00 H new ATOM 0 HA GLN A 44 4.941 -8.517 10.943 1.00 0.00 H new ATOM 0 HB2 GLN A 44 3.461 -6.869 9.712 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.603 -5.749 11.052 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.125 -5.751 10.729 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.913 -6.775 9.322 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.095 -4.388 8.743 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.951 -3.267 7.998 1.00 0.00 H new ATOM 682 N SER A 45 6.600 -7.498 12.505 1.00 0.00 N ATOM 683 CA SER A 45 7.522 -7.077 13.599 1.00 0.00 C ATOM 684 C SER A 45 8.094 -5.690 13.301 1.00 0.00 C ATOM 685 O SER A 45 8.925 -5.525 12.431 1.00 0.00 O ATOM 686 CB SER A 45 8.635 -8.127 13.605 1.00 0.00 C ATOM 687 OG SER A 45 9.242 -8.164 14.889 1.00 0.00 O ATOM 0 H SER A 45 7.045 -7.968 11.716 1.00 0.00 H new ATOM 0 HA SER A 45 7.018 -7.013 14.563 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.227 -9.106 13.355 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.379 -7.888 12.845 1.00 0.00 H new ATOM 0 HG SER A 45 9.967 -7.505 14.927 1.00 0.00 H new ATOM 693 N LEU A 46 7.651 -4.689 14.013 1.00 0.00 N ATOM 694 CA LEU A 46 8.168 -3.311 13.767 1.00 0.00 C ATOM 695 C LEU A 46 9.625 -3.197 14.225 1.00 0.00 C ATOM 696 O LEU A 46 10.258 -2.173 14.059 1.00 0.00 O ATOM 697 CB LEU A 46 7.270 -2.398 14.600 1.00 0.00 C ATOM 698 CG LEU A 46 5.817 -2.562 14.150 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.945 -1.513 14.845 1.00 0.00 C ATOM 700 CD2 LEU A 46 5.727 -2.375 12.634 1.00 0.00 C ATOM 0 H LEU A 46 6.954 -4.765 14.754 1.00 0.00 H new ATOM 0 HA LEU A 46 8.150 -3.048 12.709 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.364 -2.644 15.658 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.582 -1.360 14.485 1.00 0.00 H new ATOM 0 HG LEU A 46 5.467 -3.560 14.415 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.910 -1.630 14.524 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.007 -1.646 15.925 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.296 -0.515 14.581 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.692 -2.492 12.314 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.078 -1.378 12.369 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.347 -3.122 12.138 1.00 0.00 H new ATOM 712 N THR A 47 10.166 -4.240 14.794 1.00 0.00 N ATOM 713 CA THR A 47 11.584 -4.186 15.252 1.00 0.00 C ATOM 714 C THR A 47 12.512 -4.622 14.117 1.00 0.00 C ATOM 715 O THR A 47 13.639 -4.179 14.016 1.00 0.00 O ATOM 716 CB THR A 47 11.661 -5.173 16.419 1.00 0.00 C ATOM 717 OG1 THR A 47 11.539 -6.499 15.923 1.00 0.00 O ATOM 718 CG2 THR A 47 10.527 -4.888 17.406 1.00 0.00 C ATOM 0 H THR A 47 9.689 -5.126 14.961 1.00 0.00 H new ATOM 0 HA THR A 47 11.889 -3.183 15.550 1.00 0.00 H new ATOM 0 HB THR A 47 12.618 -5.062 16.928 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.367 -7.112 16.668 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.582 -5.591 18.237 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.622 -3.870 17.785 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.568 -4.999 16.900 1.00 0.00 H new ATOM 726 N THR A 48 12.044 -5.487 13.258 1.00 0.00 N ATOM 727 CA THR A 48 12.892 -5.954 12.126 1.00 0.00 C ATOM 728 C THR A 48 12.216 -5.624 10.792 1.00 0.00 C ATOM 729 O THR A 48 12.789 -5.794 9.734 1.00 0.00 O ATOM 730 CB THR A 48 13.005 -7.468 12.312 1.00 0.00 C ATOM 731 OG1 THR A 48 11.726 -8.060 12.131 1.00 0.00 O ATOM 732 CG2 THR A 48 13.517 -7.774 13.720 1.00 0.00 C ATOM 0 H THR A 48 11.108 -5.891 13.292 1.00 0.00 H new ATOM 0 HA THR A 48 13.870 -5.473 12.115 1.00 0.00 H new ATOM 0 HB THR A 48 13.702 -7.875 11.579 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.795 -9.031 12.248 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.597 -8.853 13.851 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.497 -7.318 13.858 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.822 -7.369 14.456 1.00 0.00 H new ATOM 740 N GLY A 49 11.000 -5.151 10.835 1.00 0.00 N ATOM 741 CA GLY A 49 10.285 -4.807 9.573 1.00 0.00 C ATOM 742 C GLY A 49 9.934 -6.090 8.815 1.00 0.00 C ATOM 743 O GLY A 49 10.103 -6.177 7.615 1.00 0.00 O ATOM 0 H GLY A 49 10.470 -4.988 11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.378 -4.246 9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.910 -4.165 8.952 1.00 0.00 H new ATOM 747 N GLN A 50 9.447 -7.086 9.504 1.00 0.00 N ATOM 748 CA GLN A 50 9.088 -8.359 8.817 1.00 0.00 C ATOM 749 C GLN A 50 7.619 -8.708 9.078 1.00 0.00 C ATOM 750 O GLN A 50 7.059 -8.355 10.097 1.00 0.00 O ATOM 751 CB GLN A 50 10.008 -9.415 9.432 1.00 0.00 C ATOM 752 CG GLN A 50 11.232 -9.609 8.534 1.00 0.00 C ATOM 753 CD GLN A 50 12.272 -10.459 9.267 1.00 0.00 C ATOM 754 OE1 GLN A 50 12.010 -10.973 10.336 1.00 0.00 O ATOM 755 NE2 GLN A 50 13.450 -10.630 8.732 1.00 0.00 N ATOM 0 H GLN A 50 9.283 -7.073 10.511 1.00 0.00 H new ATOM 0 HA GLN A 50 9.210 -8.292 7.736 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.320 -9.105 10.429 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.473 -10.358 9.545 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.940 -10.095 7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.659 -8.642 8.269 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.670 -10.198 7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.151 -11.195 9.211 1.00 0.00 H new ATOM 764 N GLU A 51 6.995 -9.402 8.167 1.00 0.00 N ATOM 765 CA GLU A 51 5.563 -9.778 8.363 1.00 0.00 C ATOM 766 C GLU A 51 5.419 -11.300 8.375 1.00 0.00 C ATOM 767 O GLU A 51 6.074 -12.000 7.629 1.00 0.00 O ATOM 768 CB GLU A 51 4.827 -9.178 7.165 1.00 0.00 C ATOM 769 CG GLU A 51 4.959 -7.654 7.196 1.00 0.00 C ATOM 770 CD GLU A 51 4.354 -7.064 5.920 1.00 0.00 C ATOM 771 OE1 GLU A 51 3.934 -7.838 5.075 1.00 0.00 O ATOM 772 OE2 GLU A 51 4.321 -5.850 5.810 1.00 0.00 O ATOM 0 H GLU A 51 7.413 -9.726 7.295 1.00 0.00 H new ATOM 0 HA GLU A 51 5.163 -9.412 9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.241 -9.571 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.775 -9.463 7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.450 -7.252 8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.008 -7.371 7.279 1.00 0.00 H new ATOM 779 N GLY A 52 4.567 -11.823 9.216 1.00 0.00 N ATOM 780 CA GLY A 52 4.392 -13.301 9.269 1.00 0.00 C ATOM 781 C GLY A 52 3.042 -13.641 9.902 1.00 0.00 C ATOM 782 O GLY A 52 2.097 -12.879 9.830 1.00 0.00 O ATOM 0 H GLY A 52 3.987 -11.292 9.866 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.448 -13.719 8.264 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.199 -13.751 9.847 1.00 0.00 H new ATOM 786 N PHE A 53 2.949 -14.782 10.528 1.00 0.00 N ATOM 787 CA PHE A 53 1.668 -15.183 11.174 1.00 0.00 C ATOM 788 C PHE A 53 1.907 -15.490 12.653 1.00 0.00 C ATOM 789 O PHE A 53 2.886 -16.110 13.018 1.00 0.00 O ATOM 790 CB PHE A 53 1.225 -16.441 10.427 1.00 0.00 C ATOM 791 CG PHE A 53 0.912 -16.088 8.992 1.00 0.00 C ATOM 792 CD1 PHE A 53 -0.321 -15.515 8.664 1.00 0.00 C ATOM 793 CD2 PHE A 53 1.859 -16.335 7.988 1.00 0.00 C ATOM 794 CE1 PHE A 53 -0.610 -15.188 7.334 1.00 0.00 C ATOM 795 CE2 PHE A 53 1.569 -16.008 6.658 1.00 0.00 C ATOM 796 CZ PHE A 53 0.335 -15.434 6.331 1.00 0.00 C ATOM 0 H PHE A 53 3.709 -15.456 10.620 1.00 0.00 H new ATOM 0 HA PHE A 53 0.913 -14.398 11.127 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.011 -17.195 10.464 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.346 -16.872 10.907 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.051 -15.325 9.437 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.811 -16.777 8.240 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.562 -14.746 7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.298 -16.199 5.884 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.112 -15.181 5.305 1.00 0.00 H new ATOM 806 N ILE A 54 1.022 -15.060 13.510 1.00 0.00 N ATOM 807 CA ILE A 54 1.206 -15.328 14.964 1.00 0.00 C ATOM 808 C ILE A 54 -0.098 -15.837 15.580 1.00 0.00 C ATOM 809 O ILE A 54 -1.173 -15.413 15.203 1.00 0.00 O ATOM 810 CB ILE A 54 1.592 -13.977 15.569 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.503 -12.948 15.261 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.920 -13.509 14.969 1.00 0.00 C ATOM 813 CD1 ILE A 54 0.299 -12.042 16.478 1.00 0.00 C ATOM 0 H ILE A 54 0.181 -14.536 13.267 1.00 0.00 H new ATOM 0 HA ILE A 54 1.962 -16.091 15.150 1.00 0.00 H new ATOM 0 HB ILE A 54 1.698 -14.081 16.649 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.786 -12.352 14.394 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.430 -13.453 15.010 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.195 -12.546 15.400 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.697 -14.241 15.190 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.815 -13.406 13.889 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.477 -11.308 16.259 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.003 -12.645 17.334 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.231 -11.526 16.708 1.00 0.00 H new ATOM 825 N PRO A 55 0.046 -16.734 16.516 1.00 0.00 N ATOM 826 CA PRO A 55 -1.162 -17.284 17.178 1.00 0.00 C ATOM 827 C PRO A 55 -1.772 -16.234 18.109 1.00 0.00 C ATOM 828 O PRO A 55 -1.087 -15.370 18.619 1.00 0.00 O ATOM 829 CB PRO A 55 -0.644 -18.480 17.968 1.00 0.00 C ATOM 830 CG PRO A 55 0.798 -18.181 18.211 1.00 0.00 C ATOM 831 CD PRO A 55 1.273 -17.333 17.061 1.00 0.00 C ATOM 0 HA PRO A 55 -1.944 -17.566 16.473 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.187 -18.600 18.906 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.767 -19.407 17.408 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.929 -17.656 19.157 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.377 -19.102 18.276 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.974 -16.568 17.395 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.789 -17.933 16.311 1.00 0.00 H new ATOM 839 N PHE A 56 -3.055 -16.294 18.323 1.00 0.00 N ATOM 840 CA PHE A 56 -3.710 -15.291 19.209 1.00 0.00 C ATOM 841 C PHE A 56 -3.385 -15.560 20.684 1.00 0.00 C ATOM 842 O PHE A 56 -3.775 -14.809 21.555 1.00 0.00 O ATOM 843 CB PHE A 56 -5.209 -15.463 18.954 1.00 0.00 C ATOM 844 CG PHE A 56 -5.692 -16.735 19.612 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.590 -17.956 18.935 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.243 -16.691 20.898 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.039 -19.134 19.546 1.00 0.00 C ATOM 848 CE2 PHE A 56 -6.692 -17.868 21.508 1.00 0.00 C ATOM 849 CZ PHE A 56 -6.589 -19.089 20.832 1.00 0.00 C ATOM 0 H PHE A 56 -3.680 -16.994 17.923 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.364 -14.279 18.998 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.756 -14.607 19.349 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.404 -15.499 17.882 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.166 -17.990 17.942 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.322 -15.749 21.420 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.961 -20.077 19.025 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.118 -17.834 22.500 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.934 -19.997 21.303 1.00 0.00 H new ATOM 859 N ASN A 57 -2.688 -16.625 20.979 1.00 0.00 N ATOM 860 CA ASN A 57 -2.368 -16.924 22.406 1.00 0.00 C ATOM 861 C ASN A 57 -0.951 -16.462 22.769 1.00 0.00 C ATOM 862 O ASN A 57 -0.660 -16.181 23.915 1.00 0.00 O ATOM 863 CB ASN A 57 -2.477 -18.445 22.519 1.00 0.00 C ATOM 864 CG ASN A 57 -2.271 -18.864 23.976 1.00 0.00 C ATOM 865 OD1 ASN A 57 -2.836 -18.273 24.875 1.00 0.00 O ATOM 866 ND2 ASN A 57 -1.481 -19.865 24.249 1.00 0.00 N ATOM 0 H ASN A 57 -2.329 -17.296 20.300 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.041 -16.404 23.087 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.454 -18.777 22.168 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.731 -18.922 21.883 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.337 -20.152 25.217 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.007 -20.361 23.494 1.00 0.00 H new ATOM 873 N PHE A 58 -0.062 -16.385 21.815 1.00 0.00 N ATOM 874 CA PHE A 58 1.329 -15.945 22.137 1.00 0.00 C ATOM 875 C PHE A 58 1.405 -14.418 22.190 1.00 0.00 C ATOM 876 O PHE A 58 2.439 -13.849 22.483 1.00 0.00 O ATOM 877 CB PHE A 58 2.203 -16.484 21.004 1.00 0.00 C ATOM 878 CG PHE A 58 2.366 -17.979 21.155 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.243 -18.816 21.127 1.00 0.00 C ATOM 880 CD2 PHE A 58 3.643 -18.528 21.322 1.00 0.00 C ATOM 881 CE1 PHE A 58 1.398 -20.200 21.267 1.00 0.00 C ATOM 882 CE2 PHE A 58 3.797 -19.913 21.463 1.00 0.00 C ATOM 883 CZ PHE A 58 2.674 -20.749 21.435 1.00 0.00 C ATOM 0 H PHE A 58 -0.235 -16.605 20.834 1.00 0.00 H new ATOM 0 HA PHE A 58 1.656 -16.315 23.109 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.749 -16.253 20.040 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.179 -15.998 21.021 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.258 -18.393 20.997 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.509 -17.884 21.342 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.532 -20.845 21.245 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.782 -20.336 21.593 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.793 -21.817 21.543 1.00 0.00 H new ATOM 893 N VAL A 59 0.322 -13.748 21.911 1.00 0.00 N ATOM 894 CA VAL A 59 0.340 -12.259 21.948 1.00 0.00 C ATOM 895 C VAL A 59 -0.885 -11.736 22.704 1.00 0.00 C ATOM 896 O VAL A 59 -1.965 -12.285 22.612 1.00 0.00 O ATOM 897 CB VAL A 59 0.293 -11.825 20.483 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.500 -12.404 19.742 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.995 -12.340 19.840 1.00 0.00 C ATOM 0 H VAL A 59 -0.574 -14.166 21.659 1.00 0.00 H new ATOM 0 HA VAL A 59 1.220 -11.868 22.459 1.00 0.00 H new ATOM 0 HB VAL A 59 0.318 -10.737 20.425 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.468 -12.095 18.697 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.418 -12.038 20.200 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.475 -13.492 19.800 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.029 -12.031 18.795 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.020 -13.428 19.897 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.855 -11.929 20.368 1.00 0.00 H new ATOM 909 N ALA A 60 -0.725 -10.679 23.451 1.00 0.00 N ATOM 910 CA ALA A 60 -1.880 -10.123 24.212 1.00 0.00 C ATOM 911 C ALA A 60 -2.043 -8.630 23.912 1.00 0.00 C ATOM 912 O ALA A 60 -1.107 -7.960 23.527 1.00 0.00 O ATOM 913 CB ALA A 60 -1.527 -10.339 25.683 1.00 0.00 C ATOM 0 H ALA A 60 0.155 -10.176 23.568 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.820 -10.605 23.944 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.331 -9.955 26.310 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.396 -11.404 25.873 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.602 -9.812 25.916 1.00 0.00 H new ATOM 919 N LYS A 61 -3.225 -8.106 24.086 1.00 0.00 N ATOM 920 CA LYS A 61 -3.447 -6.658 23.811 1.00 0.00 C ATOM 921 C LYS A 61 -2.770 -5.806 24.889 1.00 0.00 C ATOM 922 O LYS A 61 -2.876 -6.079 26.068 1.00 0.00 O ATOM 923 CB LYS A 61 -4.963 -6.474 23.857 1.00 0.00 C ATOM 924 CG LYS A 61 -5.609 -7.277 22.727 1.00 0.00 C ATOM 925 CD LYS A 61 -7.108 -6.971 22.674 1.00 0.00 C ATOM 926 CE LYS A 61 -7.785 -7.904 21.668 1.00 0.00 C ATOM 927 NZ LYS A 61 -7.684 -9.261 22.276 1.00 0.00 N ATOM 0 H LYS A 61 -4.047 -8.618 24.407 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.028 -6.350 22.853 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.351 -6.805 24.820 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.215 -5.418 23.757 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.142 -7.025 21.775 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.450 -8.343 22.888 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.551 -7.100 23.661 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.268 -5.932 22.387 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.825 -7.621 21.504 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.288 -7.867 20.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.607 -9.736 22.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.975 -9.820 21.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.399 -9.175 23.273 1.00 0.00 H new ATOM 941 N ALA A 62 -2.075 -4.775 24.493 1.00 0.00 N ATOM 942 CA ALA A 62 -1.392 -3.907 25.495 1.00 0.00 C ATOM 943 C ALA A 62 -2.422 -3.260 26.425 1.00 0.00 C ATOM 944 O ALA A 62 -2.174 -3.058 27.597 1.00 0.00 O ATOM 945 CB ALA A 62 -0.670 -2.842 24.671 1.00 0.00 C ATOM 0 H ALA A 62 -1.950 -4.496 23.520 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.704 -4.469 26.126 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.141 -2.162 25.339 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.044 -3.322 24.002 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.397 -2.282 24.084 1.00 0.00 H new ATOM 951 N ASN A 63 -3.577 -2.932 25.911 1.00 0.00 N ATOM 952 CA ASN A 63 -4.620 -2.298 26.767 1.00 0.00 C ATOM 953 C ASN A 63 -5.882 -3.166 26.794 1.00 0.00 C ATOM 954 O ASN A 63 -5.828 -4.236 27.378 1.00 0.00 O ATOM 955 CB ASN A 63 -4.910 -0.951 26.104 1.00 0.00 C ATOM 956 CG ASN A 63 -3.663 -0.068 26.176 1.00 0.00 C ATOM 957 OD1 ASN A 63 -2.753 -0.343 26.933 1.00 0.00 O ATOM 958 ND2 ASN A 63 -3.582 0.989 25.415 1.00 0.00 N ATOM 959 OXT ASN A 63 -6.878 -2.746 26.230 1.00 0.00 O ATOM 0 H ASN A 63 -3.843 -3.076 24.937 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.293 -2.182 27.800 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.203 -1.101 25.065 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.745 -0.460 26.603 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.755 1.584 25.456 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.346 1.220 24.780 1.00 0.00 H new TER 966 ASN A 63