USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 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 2 GLN : amide:sc= -2.26 K(o=-2.4,f=-3.4!) USER MOD Set 1.2: A 4 ASN : amide:sc= -0.109 X(o=-2.4,f=-2.5) USER MOD Single : A 9 SER OG : rot 68:sc= 1.23 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.889 K(o=0.89,f=-0.043) USER MOD Single : A 16 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.6!) USER MOD Single : A 17 TYR OH : rot -110:sc= -0.919 USER MOD Single : A 20 HIS : no HD1:sc= -2.89 X(o=-2.9,f=-3.2!) USER MOD Single : A 21 SER OG : rot -142:sc= -0.845! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 42:sc= 1.08 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.011) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.092 X(o=-0.092,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.36) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0046 USER MOD Single : A 60 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ -142:sc= 0.39 (180deg=-0.167) USER MOD Single : A 66 ASN : amide:sc= -0.714 K(o=-0.71,f=-0.16) USER MOD Single : A 67 ASN : amide:sc= -0.914 K(o=-0.91,f=-0.12) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 70 THR OG1 : rot 53:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.476 -1.709 -2.858 1.00 0.00 N ATOM 12 CA GLN A 2 1.557 -3.034 -3.460 1.00 0.00 C ATOM 13 C GLN A 2 2.994 -3.373 -3.841 1.00 0.00 C ATOM 14 O GLN A 2 3.621 -2.666 -4.631 1.00 0.00 O ATOM 15 CB GLN A 2 0.658 -3.112 -4.695 1.00 0.00 C ATOM 16 CG GLN A 2 0.803 -4.411 -5.472 1.00 0.00 C ATOM 17 CD GLN A 2 0.301 -5.614 -4.698 1.00 0.00 C ATOM 18 OE1 GLN A 2 -0.743 -5.556 -4.048 1.00 0.00 O ATOM 19 NE2 GLN A 2 1.043 -6.713 -4.765 1.00 0.00 N ATOM 0 HA GLN A 2 1.215 -3.761 -2.723 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.381 -2.997 -4.386 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.888 -2.276 -5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.253 -4.332 -6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.852 -4.561 -5.729 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.901 -6.716 -5.316 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.755 -7.554 -4.265 1.00 0.00 H new ATOM 28 N VAL A 3 3.512 -4.458 -3.275 1.00 0.00 N ATOM 29 CA VAL A 3 4.876 -4.890 -3.555 1.00 0.00 C ATOM 30 C VAL A 3 4.923 -6.377 -3.890 1.00 0.00 C ATOM 31 O VAL A 3 4.547 -7.219 -3.075 1.00 0.00 O ATOM 32 CB VAL A 3 5.809 -4.614 -2.362 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.231 -5.051 -2.683 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.768 -3.141 -1.984 1.00 0.00 C ATOM 0 H VAL A 3 3.007 -5.054 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 3 5.220 -4.315 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 3 5.460 -5.195 -1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.876 -4.848 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.243 -6.119 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.594 -4.500 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.433 -2.964 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.091 -2.538 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.750 -2.864 -1.709 1.00 0.00 H new ATOM 44 N ASN A 4 5.389 -6.693 -5.094 1.00 0.00 N ATOM 45 CA ASN A 4 5.486 -8.079 -5.536 1.00 0.00 C ATOM 46 C ASN A 4 6.935 -8.458 -5.825 1.00 0.00 C ATOM 47 O ASN A 4 7.565 -7.904 -6.727 1.00 0.00 O ATOM 48 CB ASN A 4 4.631 -8.298 -6.787 1.00 0.00 C ATOM 49 CG ASN A 4 4.624 -7.087 -7.701 1.00 0.00 C ATOM 50 OD1 ASN A 4 3.856 -6.147 -7.498 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.482 -7.106 -8.714 1.00 0.00 N ATOM 0 H ASN A 4 5.705 -6.008 -5.781 1.00 0.00 H new ATOM 0 HA ASN A 4 5.115 -8.717 -4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.008 -9.161 -7.335 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.609 -8.531 -6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.523 -6.320 -9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.100 -7.907 -8.844 1.00 0.00 H new ATOM 58 N ILE A 5 7.458 -9.405 -5.053 1.00 0.00 N ATOM 59 CA ILE A 5 8.832 -9.859 -5.227 1.00 0.00 C ATOM 60 C ILE A 5 8.897 -11.378 -5.355 1.00 0.00 C ATOM 61 O ILE A 5 8.235 -12.102 -4.614 1.00 0.00 O ATOM 62 CB ILE A 5 9.724 -9.417 -4.052 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.648 -7.899 -3.869 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.162 -9.856 -4.284 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.079 -7.434 -2.496 1.00 0.00 C ATOM 0 H ILE A 5 6.951 -9.872 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 5 9.201 -9.402 -6.145 1.00 0.00 H new ATOM 0 HB ILE A 5 9.362 -9.893 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.275 -7.419 -4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.625 -7.570 -4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.780 -9.536 -3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.201 -10.942 -4.371 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.536 -9.405 -5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.000 -6.348 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.436 -7.886 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.112 -7.732 -2.319 1.00 0.00 H new ATOM 77 N ALA A 6 9.701 -11.852 -6.301 1.00 0.00 N ATOM 78 CA ALA A 6 9.856 -13.284 -6.525 1.00 0.00 C ATOM 79 C ALA A 6 10.955 -13.862 -5.640 1.00 0.00 C ATOM 80 O ALA A 6 12.063 -13.331 -5.558 1.00 0.00 O ATOM 81 CB ALA A 6 10.157 -13.559 -7.991 1.00 0.00 C ATOM 0 H ALA A 6 10.255 -11.265 -6.925 1.00 0.00 H new ATOM 0 HA ALA A 6 8.918 -13.772 -6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.270 -14.632 -8.144 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.337 -13.189 -8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.080 -13.053 -8.274 1.00 0.00 H new ATOM 87 N PRO A 7 10.643 -14.975 -4.960 1.00 0.00 N ATOM 88 CA PRO A 7 11.591 -15.649 -4.068 1.00 0.00 C ATOM 89 C PRO A 7 12.731 -16.316 -4.831 1.00 0.00 C ATOM 90 O PRO A 7 12.949 -16.038 -6.009 1.00 0.00 O ATOM 91 CB PRO A 7 10.730 -16.702 -3.365 1.00 0.00 C ATOM 92 CG PRO A 7 9.609 -16.966 -4.309 1.00 0.00 C ATOM 93 CD PRO A 7 9.342 -15.662 -5.010 1.00 0.00 C ATOM 0 HA PRO A 7 12.076 -14.951 -3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.300 -17.609 -3.164 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.362 -16.337 -2.406 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.875 -17.745 -5.023 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.723 -17.311 -3.776 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.009 -15.818 -6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.564 -15.087 -4.507 1.00 0.00 H new ATOM 101 N GLY A 8 13.455 -17.200 -4.150 1.00 0.00 N ATOM 102 CA GLY A 8 14.564 -17.893 -4.780 1.00 0.00 C ATOM 103 C GLY A 8 15.909 -17.316 -4.385 1.00 0.00 C ATOM 104 O GLY A 8 16.948 -17.745 -4.887 1.00 0.00 O ATOM 0 H GLY A 8 13.293 -17.448 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.531 -18.948 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.453 -17.840 -5.863 1.00 0.00 H new ATOM 108 N SER A 9 15.890 -16.339 -3.484 1.00 0.00 N ATOM 109 CA SER A 9 17.117 -15.698 -3.025 1.00 0.00 C ATOM 110 C SER A 9 16.811 -14.605 -2.006 1.00 0.00 C ATOM 111 O SER A 9 16.056 -13.673 -2.285 1.00 0.00 O ATOM 112 CB SER A 9 17.882 -15.106 -4.210 1.00 0.00 C ATOM 113 OG SER A 9 18.869 -16.007 -4.681 1.00 0.00 O ATOM 0 H SER A 9 15.038 -15.974 -3.057 1.00 0.00 H new ATOM 0 HA SER A 9 17.735 -16.456 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.186 -14.871 -5.015 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.353 -14.169 -3.912 1.00 0.00 H new ATOM 0 HG SER A 9 18.434 -16.785 -5.088 1.00 0.00 H new ATOM 119 N LEU A 10 17.402 -14.726 -0.822 1.00 0.00 N ATOM 120 CA LEU A 10 17.193 -13.749 0.241 1.00 0.00 C ATOM 121 C LEU A 10 17.804 -12.402 -0.131 1.00 0.00 C ATOM 122 O LEU A 10 17.189 -11.354 0.068 1.00 0.00 O ATOM 123 CB LEU A 10 17.802 -14.254 1.550 1.00 0.00 C ATOM 124 CG LEU A 10 17.467 -13.442 2.802 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.604 -14.302 4.049 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.363 -12.215 2.898 1.00 0.00 C ATOM 0 H LEU A 10 18.030 -15.491 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 10 16.119 -13.616 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.473 -15.281 1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.886 -14.280 1.437 1.00 0.00 H new ATOM 0 HG LEU A 10 16.432 -13.107 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.362 -13.707 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.921 -15.149 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.628 -14.667 4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.110 -11.649 3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.406 -12.529 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.215 -11.587 2.019 1.00 0.00 H new ATOM 138 N ASP A 11 19.016 -12.437 -0.674 1.00 0.00 N ATOM 139 CA ASP A 11 19.708 -11.219 -1.078 1.00 0.00 C ATOM 140 C ASP A 11 18.918 -10.474 -2.149 1.00 0.00 C ATOM 141 O ASP A 11 18.837 -9.245 -2.135 1.00 0.00 O ATOM 142 CB ASP A 11 21.108 -11.550 -1.597 1.00 0.00 C ATOM 143 CG ASP A 11 21.074 -12.279 -2.927 1.00 0.00 C ATOM 144 OD1 ASP A 11 20.948 -13.521 -2.919 1.00 0.00 O ATOM 145 OD2 ASP A 11 21.176 -11.606 -3.975 1.00 0.00 O ATOM 0 H ASP A 11 19.539 -13.296 -0.844 1.00 0.00 H new ATOM 0 HA ASP A 11 19.796 -10.574 -0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.680 -10.628 -1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.629 -12.164 -0.862 1.00 0.00 H new ATOM 150 N LYS A 12 18.337 -11.225 -3.078 1.00 0.00 N ATOM 151 CA LYS A 12 17.552 -10.638 -4.158 1.00 0.00 C ATOM 152 C LYS A 12 16.344 -9.887 -3.606 1.00 0.00 C ATOM 153 O LYS A 12 16.167 -8.698 -3.870 1.00 0.00 O ATOM 154 CB LYS A 12 17.091 -11.725 -5.131 1.00 0.00 C ATOM 155 CG LYS A 12 17.981 -11.866 -6.353 1.00 0.00 C ATOM 156 CD LYS A 12 17.366 -11.199 -7.571 1.00 0.00 C ATOM 157 CE LYS A 12 17.824 -9.755 -7.707 1.00 0.00 C ATOM 158 NZ LYS A 12 18.159 -9.409 -9.116 1.00 0.00 N ATOM 0 H LYS A 12 18.395 -12.243 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 12 18.186 -9.929 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.056 -12.679 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.075 -11.502 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.955 -11.423 -6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 12 18.149 -12.923 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.639 -11.754 -8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.279 -11.231 -7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.039 -9.090 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.697 -9.590 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.467 -8.417 -9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.925 -10.026 -9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.319 -9.542 -9.715 1.00 0.00 H new ATOM 172 N ALA A 13 15.516 -10.590 -2.840 1.00 0.00 N ATOM 173 CA ALA A 13 14.327 -9.989 -2.249 1.00 0.00 C ATOM 174 C ALA A 13 14.693 -8.796 -1.372 1.00 0.00 C ATOM 175 O ALA A 13 13.985 -7.788 -1.350 1.00 0.00 O ATOM 176 CB ALA A 13 13.559 -11.024 -1.441 1.00 0.00 C ATOM 0 H ALA A 13 15.647 -11.576 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 13 13.691 -9.630 -3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.673 -10.561 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.257 -11.844 -2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.196 -11.410 -0.645 1.00 0.00 H new ATOM 182 N LEU A 14 15.801 -8.917 -0.650 1.00 0.00 N ATOM 183 CA LEU A 14 16.261 -7.848 0.231 1.00 0.00 C ATOM 184 C LEU A 14 16.386 -6.532 -0.530 1.00 0.00 C ATOM 185 O LEU A 14 15.882 -5.499 -0.090 1.00 0.00 O ATOM 186 CB LEU A 14 17.607 -8.218 0.855 1.00 0.00 C ATOM 187 CG LEU A 14 18.512 -7.048 1.244 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.836 -6.175 2.289 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.851 -7.557 1.756 1.00 0.00 C ATOM 0 H LEU A 14 16.398 -9.744 -0.657 1.00 0.00 H new ATOM 0 HA LEU A 14 15.523 -7.721 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.419 -8.817 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.148 -8.852 0.153 1.00 0.00 H new ATOM 0 HG LEU A 14 18.692 -6.442 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.495 -5.348 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.903 -5.781 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.625 -6.769 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.482 -6.711 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.690 -8.186 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.341 -8.139 0.976 1.00 0.00 H new ATOM 201 N ASN A 15 17.058 -6.578 -1.676 1.00 0.00 N ATOM 202 CA ASN A 15 17.248 -5.389 -2.499 1.00 0.00 C ATOM 203 C ASN A 15 15.939 -4.976 -3.167 1.00 0.00 C ATOM 204 O ASN A 15 15.688 -3.790 -3.381 1.00 0.00 O ATOM 205 CB ASN A 15 18.317 -5.645 -3.563 1.00 0.00 C ATOM 206 CG ASN A 15 19.714 -5.703 -2.975 1.00 0.00 C ATOM 207 OD1 ASN A 15 20.519 -4.792 -3.168 1.00 0.00 O ATOM 208 ND2 ASN A 15 20.008 -6.779 -2.255 1.00 0.00 N ATOM 0 H ASN A 15 17.480 -7.426 -2.056 1.00 0.00 H new ATOM 0 HA ASN A 15 17.577 -4.577 -1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.101 -6.584 -4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.274 -4.857 -4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.933 -6.875 -1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.309 -7.510 -2.121 1.00 0.00 H new ATOM 215 N GLN A 16 15.110 -5.963 -3.493 1.00 0.00 N ATOM 216 CA GLN A 16 13.828 -5.701 -4.136 1.00 0.00 C ATOM 217 C GLN A 16 12.943 -4.829 -3.252 1.00 0.00 C ATOM 218 O GLN A 16 12.484 -3.766 -3.671 1.00 0.00 O ATOM 219 CB GLN A 16 13.115 -7.017 -4.452 1.00 0.00 C ATOM 220 CG GLN A 16 13.872 -7.899 -5.431 1.00 0.00 C ATOM 221 CD GLN A 16 13.253 -7.901 -6.815 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.439 -7.037 -7.144 1.00 0.00 O ATOM 223 NE2 GLN A 16 13.635 -8.873 -7.634 1.00 0.00 N ATOM 0 H GLN A 16 15.303 -6.950 -3.323 1.00 0.00 H new ATOM 0 HA GLN A 16 14.019 -5.166 -5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.960 -7.568 -3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.129 -6.797 -4.861 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.904 -7.556 -5.500 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.900 -8.919 -5.048 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.312 -9.568 -7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.251 -8.925 -8.578 1.00 0.00 H new ATOM 232 N TYR A 17 12.707 -5.285 -2.026 1.00 0.00 N ATOM 233 CA TYR A 17 11.875 -4.548 -1.084 1.00 0.00 C ATOM 234 C TYR A 17 12.585 -3.287 -0.600 1.00 0.00 C ATOM 235 O TYR A 17 11.959 -2.245 -0.404 1.00 0.00 O ATOM 236 CB TYR A 17 11.513 -5.433 0.110 1.00 0.00 C ATOM 237 CG TYR A 17 12.442 -5.265 1.292 1.00 0.00 C ATOM 238 CD1 TYR A 17 12.186 -4.315 2.273 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.576 -6.057 1.427 1.00 0.00 C ATOM 240 CE1 TYR A 17 13.032 -4.158 3.353 1.00 0.00 C ATOM 241 CE2 TYR A 17 14.427 -5.907 2.505 1.00 0.00 C ATOM 242 CZ TYR A 17 14.151 -4.957 3.465 1.00 0.00 C ATOM 243 OH TYR A 17 14.996 -4.804 4.540 1.00 0.00 O ATOM 0 H TYR A 17 13.081 -6.162 -1.662 1.00 0.00 H new ATOM 0 HA TYR A 17 10.961 -4.253 -1.600 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.494 -5.206 0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.524 -6.476 -0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.310 -3.689 2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.796 -6.802 0.677 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.819 -3.414 4.106 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.304 -6.531 2.595 1.00 0.00 H new ATOM 0 HH TYR A 17 15.843 -4.415 4.237 1.00 0.00 H new ATOM 253 N ALA A 18 13.896 -3.390 -0.410 1.00 0.00 N ATOM 254 CA ALA A 18 14.693 -2.259 0.048 1.00 0.00 C ATOM 255 C ALA A 18 14.645 -1.112 -0.956 1.00 0.00 C ATOM 256 O ALA A 18 14.715 0.058 -0.580 1.00 0.00 O ATOM 257 CB ALA A 18 16.132 -2.691 0.290 1.00 0.00 C ATOM 0 H ALA A 18 14.429 -4.246 -0.566 1.00 0.00 H new ATOM 0 HA ALA A 18 14.269 -1.904 0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.716 -1.836 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.154 -3.473 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.558 -3.074 -0.637 1.00 0.00 H new ATOM 263 N ALA A 19 14.526 -1.455 -2.234 1.00 0.00 N ATOM 264 CA ALA A 19 14.468 -0.453 -3.292 1.00 0.00 C ATOM 265 C ALA A 19 13.082 0.179 -3.374 1.00 0.00 C ATOM 266 O ALA A 19 12.938 1.331 -3.783 1.00 0.00 O ATOM 267 CB ALA A 19 14.847 -1.073 -4.628 1.00 0.00 C ATOM 0 H ALA A 19 14.468 -2.419 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 19 15.184 0.333 -3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.799 -0.313 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.860 -1.471 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.153 -1.880 -4.864 1.00 0.00 H new ATOM 273 N HIS A 20 12.066 -0.583 -2.983 1.00 0.00 N ATOM 274 CA HIS A 20 10.691 -0.097 -3.012 1.00 0.00 C ATOM 275 C HIS A 20 10.423 0.845 -1.843 1.00 0.00 C ATOM 276 O HIS A 20 9.550 1.711 -1.918 1.00 0.00 O ATOM 277 CB HIS A 20 9.712 -1.271 -2.971 1.00 0.00 C ATOM 278 CG HIS A 20 8.954 -1.374 -1.683 1.00 0.00 C ATOM 279 ND1 HIS A 20 7.893 -0.551 -1.367 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.107 -2.211 -0.631 1.00 0.00 C ATOM 281 CE1 HIS A 20 7.428 -0.877 -0.174 1.00 0.00 C ATOM 282 NE2 HIS A 20 8.146 -1.881 0.294 1.00 0.00 N ATOM 0 H HIS A 20 12.169 -1.539 -2.642 1.00 0.00 H new ATOM 0 HA HIS A 20 10.546 0.455 -3.941 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.003 -1.171 -3.793 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.262 -2.198 -3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.846 -2.992 -0.536 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.601 -0.402 0.333 1.00 0.00 H new ATOM 0 HE2 HIS A 20 8.010 -2.338 1.196 1.00 0.00 H new ATOM 290 N SER A 21 11.178 0.671 -0.763 1.00 0.00 N ATOM 291 CA SER A 21 11.018 1.503 0.424 1.00 0.00 C ATOM 292 C SER A 21 11.869 2.765 0.321 1.00 0.00 C ATOM 293 O SER A 21 11.349 3.880 0.335 1.00 0.00 O ATOM 294 CB SER A 21 11.403 0.716 1.679 1.00 0.00 C ATOM 295 OG SER A 21 11.487 1.568 2.809 1.00 0.00 O ATOM 0 H SER A 21 11.907 -0.039 -0.685 1.00 0.00 H new ATOM 0 HA SER A 21 9.971 1.796 0.494 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.666 -0.065 1.863 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.361 0.220 1.522 1.00 0.00 H new ATOM 0 HG SER A 21 12.231 1.282 3.379 1.00 0.00 H new ATOM 301 N GLY A 22 13.181 2.580 0.217 1.00 0.00 N ATOM 302 CA GLY A 22 14.084 3.712 0.113 1.00 0.00 C ATOM 303 C GLY A 22 14.948 3.879 1.347 1.00 0.00 C ATOM 304 O GLY A 22 15.454 4.969 1.617 1.00 0.00 O ATOM 0 H GLY A 22 13.635 1.667 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.724 3.584 -0.760 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.505 4.621 -0.047 1.00 0.00 H new ATOM 308 N PHE A 23 15.118 2.797 2.100 1.00 0.00 N ATOM 309 CA PHE A 23 15.926 2.830 3.314 1.00 0.00 C ATOM 310 C PHE A 23 17.079 1.834 3.227 1.00 0.00 C ATOM 311 O PHE A 23 17.141 1.016 2.308 1.00 0.00 O ATOM 312 CB PHE A 23 15.059 2.518 4.536 1.00 0.00 C ATOM 313 CG PHE A 23 14.835 1.049 4.753 1.00 0.00 C ATOM 314 CD1 PHE A 23 14.094 0.307 3.847 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.365 0.410 5.862 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.885 -1.045 4.045 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.159 -0.942 6.065 1.00 0.00 C ATOM 318 CZ PHE A 23 14.420 -1.670 5.154 1.00 0.00 C ATOM 0 H PHE A 23 14.707 1.887 1.891 1.00 0.00 H new ATOM 0 HA PHE A 23 16.342 3.832 3.418 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.530 2.940 5.423 1.00 0.00 H new ATOM 0 HB3 PHE A 23 14.094 3.012 4.422 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.675 0.790 2.977 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.946 0.975 6.576 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.304 -1.612 3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.576 -1.428 6.935 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.261 -2.727 5.309 1.00 0.00 H new ATOM 328 N THR A 24 17.992 1.910 4.189 1.00 0.00 N ATOM 329 CA THR A 24 19.145 1.018 4.222 1.00 0.00 C ATOM 330 C THR A 24 18.980 -0.053 5.293 1.00 0.00 C ATOM 331 O THR A 24 18.297 0.156 6.296 1.00 0.00 O ATOM 332 CB THR A 24 20.449 1.795 4.484 1.00 0.00 C ATOM 333 OG1 THR A 24 20.511 2.949 3.638 1.00 0.00 O ATOM 334 CG2 THR A 24 21.663 0.913 4.237 1.00 0.00 C ATOM 0 H THR A 24 17.956 2.581 4.957 1.00 0.00 H new ATOM 0 HA THR A 24 19.205 0.542 3.243 1.00 0.00 H new ATOM 0 HB THR A 24 20.455 2.110 5.527 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.342 3.438 3.812 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.572 1.483 4.428 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.628 0.051 4.903 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.660 0.572 3.202 1.00 0.00 H new ATOM 342 N LEU A 25 19.611 -1.202 5.076 1.00 0.00 N ATOM 343 CA LEU A 25 19.536 -2.308 6.024 1.00 0.00 C ATOM 344 C LEU A 25 20.898 -2.972 6.196 1.00 0.00 C ATOM 345 O LEU A 25 21.587 -3.261 5.217 1.00 0.00 O ATOM 346 CB LEU A 25 18.508 -3.339 5.555 1.00 0.00 C ATOM 347 CG LEU A 25 18.247 -4.508 6.506 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.937 -4.307 7.251 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.232 -5.824 5.742 1.00 0.00 C ATOM 0 H LEU A 25 20.181 -1.392 4.251 1.00 0.00 H new ATOM 0 HA LEU A 25 19.225 -1.907 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.564 -2.825 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.838 -3.742 4.598 1.00 0.00 H new ATOM 0 HG LEU A 25 19.055 -4.545 7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.768 -5.148 7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.985 -3.385 7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.117 -4.244 6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.045 -6.645 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.445 -5.798 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.196 -5.973 5.255 1.00 0.00 H new ATOM 361 N SER A 26 21.280 -3.214 7.446 1.00 0.00 N ATOM 362 CA SER A 26 22.560 -3.843 7.746 1.00 0.00 C ATOM 363 C SER A 26 22.359 -5.146 8.514 1.00 0.00 C ATOM 364 O SER A 26 22.079 -5.136 9.713 1.00 0.00 O ATOM 365 CB SER A 26 23.443 -2.892 8.556 1.00 0.00 C ATOM 366 OG SER A 26 24.510 -2.392 7.769 1.00 0.00 O ATOM 0 H SER A 26 20.721 -2.984 8.267 1.00 0.00 H new ATOM 0 HA SER A 26 23.054 -4.071 6.802 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.843 -2.062 8.929 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.842 -3.413 9.426 1.00 0.00 H new ATOM 0 HG SER A 26 25.058 -1.785 8.309 1.00 0.00 H new ATOM 372 N VAL A 27 22.503 -6.267 7.815 1.00 0.00 N ATOM 373 CA VAL A 27 22.338 -7.579 8.430 1.00 0.00 C ATOM 374 C VAL A 27 23.494 -8.504 8.068 1.00 0.00 C ATOM 375 O VAL A 27 23.946 -8.532 6.924 1.00 0.00 O ATOM 376 CB VAL A 27 21.014 -8.238 8.000 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.849 -8.169 6.489 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.953 -9.678 8.486 1.00 0.00 C ATOM 0 H VAL A 27 22.734 -6.293 6.822 1.00 0.00 H new ATOM 0 HA VAL A 27 22.324 -7.424 9.509 1.00 0.00 H new ATOM 0 HB VAL A 27 20.190 -7.689 8.457 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.908 -8.640 6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.845 -7.127 6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.676 -8.692 6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.011 -10.128 8.173 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.783 -10.241 8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 27 21.021 -9.698 9.574 1.00 0.00 H new ATOM 388 N ASP A 28 23.968 -9.261 9.052 1.00 0.00 N ATOM 389 CA ASP A 28 25.072 -10.190 8.838 1.00 0.00 C ATOM 390 C ASP A 28 24.748 -11.169 7.714 1.00 0.00 C ATOM 391 O ASP A 28 24.039 -12.154 7.920 1.00 0.00 O ATOM 392 CB ASP A 28 25.378 -10.956 10.126 1.00 0.00 C ATOM 393 CG ASP A 28 26.269 -10.172 11.068 1.00 0.00 C ATOM 394 OD1 ASP A 28 27.352 -9.731 10.630 1.00 0.00 O ATOM 395 OD2 ASP A 28 25.884 -9.999 12.244 1.00 0.00 O ATOM 0 H ASP A 28 23.605 -9.250 10.005 1.00 0.00 H new ATOM 0 HA ASP A 28 25.950 -9.612 8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.443 -11.198 10.632 1.00 0.00 H new ATOM 0 HB3 ASP A 28 25.860 -11.901 9.877 1.00 0.00 H new ATOM 524 N SER A 37 14.511 -16.258 0.863 1.00 0.00 N ATOM 525 CA SER A 37 13.470 -15.534 1.583 1.00 0.00 C ATOM 526 C SER A 37 12.143 -15.601 0.833 1.00 0.00 C ATOM 527 O SER A 37 12.115 -15.723 -0.391 1.00 0.00 O ATOM 528 CB SER A 37 13.881 -14.075 1.786 1.00 0.00 C ATOM 529 OG SER A 37 12.802 -13.305 2.286 1.00 0.00 O ATOM 0 HA SER A 37 13.341 -16.006 2.557 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.720 -14.024 2.480 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.223 -13.656 0.840 1.00 0.00 H new ATOM 0 HG SER A 37 12.329 -13.815 2.976 1.00 0.00 H new ATOM 535 N ASN A 38 11.045 -15.521 1.578 1.00 0.00 N ATOM 536 CA ASN A 38 9.714 -15.573 0.984 1.00 0.00 C ATOM 537 C ASN A 38 9.362 -14.246 0.320 1.00 0.00 C ATOM 538 O ASN A 38 9.303 -13.207 0.977 1.00 0.00 O ATOM 539 CB ASN A 38 8.671 -15.915 2.050 1.00 0.00 C ATOM 540 CG ASN A 38 8.732 -17.370 2.473 1.00 0.00 C ATOM 541 OD1 ASN A 38 8.029 -18.218 1.924 1.00 0.00 O ATOM 542 ND2 ASN A 38 9.577 -17.666 3.455 1.00 0.00 N ATOM 0 H ASN A 38 11.051 -15.420 2.593 1.00 0.00 H new ATOM 0 HA ASN A 38 9.714 -16.352 0.221 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.825 -15.279 2.922 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.676 -15.693 1.665 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.662 -18.628 3.782 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.141 -16.931 3.882 1.00 0.00 H new ATOM 549 N GLY A 39 9.129 -14.288 -0.988 1.00 0.00 N ATOM 550 CA GLY A 39 8.786 -13.083 -1.720 1.00 0.00 C ATOM 551 C GLY A 39 7.614 -12.345 -1.104 1.00 0.00 C ATOM 552 O GLY A 39 6.973 -12.845 -0.179 1.00 0.00 O ATOM 0 H GLY A 39 9.172 -15.135 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.652 -12.422 -1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.546 -13.344 -2.751 1.00 0.00 H new ATOM 556 N LEU A 40 7.334 -11.151 -1.615 1.00 0.00 N ATOM 557 CA LEU A 40 6.232 -10.341 -1.108 1.00 0.00 C ATOM 558 C LEU A 40 5.092 -10.278 -2.119 1.00 0.00 C ATOM 559 O LEU A 40 5.300 -10.464 -3.318 1.00 0.00 O ATOM 560 CB LEU A 40 6.720 -8.927 -0.784 1.00 0.00 C ATOM 561 CG LEU A 40 5.785 -8.076 0.076 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.460 -8.790 1.379 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.407 -6.715 0.353 1.00 0.00 C ATOM 0 H LEU A 40 7.855 -10.722 -2.380 1.00 0.00 H new ATOM 0 HA LEU A 40 5.859 -10.809 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.681 -9.003 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.897 -8.401 -1.722 1.00 0.00 H new ATOM 0 HG LEU A 40 4.856 -7.924 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.794 -8.169 1.978 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.973 -9.740 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.381 -8.973 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.728 -6.123 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.351 -6.847 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.588 -6.199 -0.590 1.00 0.00 H new ATOM 575 N HIS A 41 3.886 -10.013 -1.627 1.00 0.00 N ATOM 576 CA HIS A 41 2.712 -9.923 -2.488 1.00 0.00 C ATOM 577 C HIS A 41 1.578 -9.183 -1.785 1.00 0.00 C ATOM 578 O HIS A 41 0.888 -9.746 -0.936 1.00 0.00 O ATOM 579 CB HIS A 41 2.247 -11.320 -2.900 1.00 0.00 C ATOM 580 CG HIS A 41 1.944 -11.443 -4.362 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.715 -11.840 -4.845 1.00 0.00 N ATOM 582 CD2 HIS A 41 2.718 -11.217 -5.449 1.00 0.00 C ATOM 583 CE1 HIS A 41 0.747 -11.856 -6.165 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.951 -11.481 -6.557 1.00 0.00 N ATOM 0 H HIS A 41 3.696 -9.857 -0.637 1.00 0.00 H new ATOM 0 HA HIS A 41 2.989 -9.363 -3.381 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.018 -12.044 -2.635 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.356 -11.580 -2.329 1.00 0.00 H new ATOM 0 HD2 HIS A 41 3.747 -10.890 -5.446 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -0.072 -12.129 -6.814 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.261 -11.401 -7.525 1.00 0.00 H new ATOM 592 N GLY A 42 1.391 -7.916 -2.145 1.00 0.00 N ATOM 593 CA GLY A 42 0.340 -7.120 -1.538 1.00 0.00 C ATOM 594 C GLY A 42 0.837 -5.768 -1.066 1.00 0.00 C ATOM 595 O GLY A 42 2.025 -5.463 -1.173 1.00 0.00 O ATOM 0 H GLY A 42 1.948 -7.427 -2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.465 -6.977 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.082 -7.664 -0.693 1.00 0.00 H new ATOM 599 N ASP A 43 -0.074 -4.954 -0.544 1.00 0.00 N ATOM 600 CA ASP A 43 0.277 -3.626 -0.055 1.00 0.00 C ATOM 601 C ASP A 43 0.898 -3.706 1.337 1.00 0.00 C ATOM 602 O ASP A 43 0.192 -3.857 2.334 1.00 0.00 O ATOM 603 CB ASP A 43 -0.959 -2.727 -0.024 1.00 0.00 C ATOM 604 CG ASP A 43 -2.127 -3.373 0.695 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.778 -4.255 0.097 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.390 -2.996 1.856 1.00 0.00 O ATOM 0 H ASP A 43 -1.062 -5.191 -0.449 1.00 0.00 H new ATOM 0 HA ASP A 43 1.011 -3.197 -0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.709 -1.787 0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.254 -2.484 -1.045 1.00 0.00 H new ATOM 611 N TYR A 44 2.221 -3.606 1.395 1.00 0.00 N ATOM 612 CA TYR A 44 2.937 -3.671 2.664 1.00 0.00 C ATOM 613 C TYR A 44 4.004 -2.583 2.743 1.00 0.00 C ATOM 614 O TYR A 44 4.830 -2.441 1.841 1.00 0.00 O ATOM 615 CB TYR A 44 3.582 -5.047 2.840 1.00 0.00 C ATOM 616 CG TYR A 44 2.583 -6.181 2.896 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.749 -6.345 3.995 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.473 -7.088 1.849 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.836 -7.380 4.051 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.562 -8.125 1.896 1.00 0.00 C ATOM 621 CZ TYR A 44 0.746 -8.267 2.999 1.00 0.00 C ATOM 622 OH TYR A 44 -0.163 -9.299 3.050 1.00 0.00 O ATOM 0 H TYR A 44 2.819 -3.480 0.579 1.00 0.00 H new ATOM 0 HA TYR A 44 2.218 -3.509 3.467 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.273 -5.223 2.016 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.172 -5.048 3.757 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.816 -5.651 4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.111 -6.980 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.196 -7.494 4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.489 -8.821 1.073 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.100 -9.832 2.230 1.00 0.00 H new ATOM 632 N ASP A 45 3.980 -1.819 3.829 1.00 0.00 N ATOM 633 CA ASP A 45 4.945 -0.744 4.029 1.00 0.00 C ATOM 634 C ASP A 45 6.362 -1.299 4.137 1.00 0.00 C ATOM 635 O ASP A 45 6.586 -2.497 3.960 1.00 0.00 O ATOM 636 CB ASP A 45 4.599 0.053 5.289 1.00 0.00 C ATOM 637 CG ASP A 45 3.191 0.612 5.251 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.762 1.071 4.171 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.516 0.590 6.302 1.00 0.00 O ATOM 0 H ASP A 45 3.303 -1.924 4.585 1.00 0.00 H new ATOM 0 HA ASP A 45 4.898 -0.082 3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.709 -0.589 6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.309 0.872 5.404 1.00 0.00 H new ATOM 644 N VAL A 46 7.316 -0.420 4.427 1.00 0.00 N ATOM 645 CA VAL A 46 8.711 -0.822 4.558 1.00 0.00 C ATOM 646 C VAL A 46 8.880 -1.876 5.647 1.00 0.00 C ATOM 647 O VAL A 46 9.549 -2.889 5.445 1.00 0.00 O ATOM 648 CB VAL A 46 9.614 0.383 4.882 1.00 0.00 C ATOM 649 CG1 VAL A 46 9.079 1.144 6.085 1.00 0.00 C ATOM 650 CG2 VAL A 46 11.045 -0.074 5.122 1.00 0.00 C ATOM 0 H VAL A 46 7.148 0.575 4.576 1.00 0.00 H new ATOM 0 HA VAL A 46 9.010 -1.244 3.598 1.00 0.00 H new ATOM 0 HB VAL A 46 9.611 1.058 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.730 1.992 6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.073 1.504 5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.050 0.482 6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.670 0.790 5.350 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.069 -0.770 5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.423 -0.570 4.228 1.00 0.00 H new ATOM 660 N GLU A 47 8.267 -1.631 6.801 1.00 0.00 N ATOM 661 CA GLU A 47 8.350 -2.560 7.921 1.00 0.00 C ATOM 662 C GLU A 47 7.492 -3.796 7.668 1.00 0.00 C ATOM 663 O GLU A 47 7.965 -4.926 7.779 1.00 0.00 O ATOM 664 CB GLU A 47 7.906 -1.873 9.215 1.00 0.00 C ATOM 665 CG GLU A 47 8.876 -0.810 9.704 1.00 0.00 C ATOM 666 CD GLU A 47 8.245 0.142 10.701 1.00 0.00 C ATOM 667 OE1 GLU A 47 7.635 1.140 10.264 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.360 -0.113 11.918 1.00 0.00 O ATOM 0 H GLU A 47 7.708 -0.798 6.984 1.00 0.00 H new ATOM 0 HA GLU A 47 9.388 -2.875 8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.929 -1.416 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.784 -2.627 9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.737 -1.294 10.165 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.248 -0.243 8.851 1.00 0.00 H new ATOM 675 N SER A 48 6.226 -3.571 7.329 1.00 0.00 N ATOM 676 CA SER A 48 5.300 -4.665 7.064 1.00 0.00 C ATOM 677 C SER A 48 5.861 -5.608 6.004 1.00 0.00 C ATOM 678 O SER A 48 5.921 -6.821 6.204 1.00 0.00 O ATOM 679 CB SER A 48 3.946 -4.117 6.609 1.00 0.00 C ATOM 680 OG SER A 48 2.994 -4.175 7.658 1.00 0.00 O ATOM 0 H SER A 48 5.819 -2.641 7.232 1.00 0.00 H new ATOM 0 HA SER A 48 5.165 -5.225 7.989 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.061 -3.086 6.275 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.586 -4.691 5.755 1.00 0.00 H new ATOM 0 HG SER A 48 2.138 -3.818 7.343 1.00 0.00 H new ATOM 686 N GLY A 49 6.273 -5.041 4.874 1.00 0.00 N ATOM 687 CA GLY A 49 6.824 -5.844 3.799 1.00 0.00 C ATOM 688 C GLY A 49 8.121 -6.525 4.190 1.00 0.00 C ATOM 689 O GLY A 49 8.345 -7.689 3.856 1.00 0.00 O ATOM 0 H GLY A 49 6.235 -4.040 4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.096 -6.599 3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.998 -5.211 2.929 1.00 0.00 H new ATOM 693 N LEU A 50 8.979 -5.798 4.897 1.00 0.00 N ATOM 694 CA LEU A 50 10.262 -6.338 5.332 1.00 0.00 C ATOM 695 C LEU A 50 10.066 -7.582 6.193 1.00 0.00 C ATOM 696 O LEU A 50 10.653 -8.630 5.927 1.00 0.00 O ATOM 697 CB LEU A 50 11.044 -5.281 6.115 1.00 0.00 C ATOM 698 CG LEU A 50 12.051 -5.810 7.136 1.00 0.00 C ATOM 699 CD1 LEU A 50 13.034 -6.762 6.472 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.789 -4.659 7.803 1.00 0.00 C ATOM 0 H LEU A 50 8.809 -4.833 5.181 1.00 0.00 H new ATOM 0 HA LEU A 50 10.829 -6.618 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.576 -4.650 5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.331 -4.642 6.636 1.00 0.00 H new ATOM 0 HG LEU A 50 11.506 -6.360 7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.743 -7.129 7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.491 -7.604 6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.573 -6.237 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.502 -5.054 8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.322 -4.082 7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.073 -4.015 8.314 1.00 0.00 H new ATOM 712 N GLN A 51 9.235 -7.457 7.223 1.00 0.00 N ATOM 713 CA GLN A 51 8.960 -8.573 8.121 1.00 0.00 C ATOM 714 C GLN A 51 8.290 -9.721 7.373 1.00 0.00 C ATOM 715 O GLN A 51 8.375 -10.877 7.788 1.00 0.00 O ATOM 716 CB GLN A 51 8.071 -8.115 9.279 1.00 0.00 C ATOM 717 CG GLN A 51 8.657 -6.961 10.076 1.00 0.00 C ATOM 718 CD GLN A 51 9.323 -7.418 11.360 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.851 -7.119 12.457 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.425 -8.146 11.229 1.00 0.00 N ATOM 0 H GLN A 51 8.741 -6.596 7.456 1.00 0.00 H new ATOM 0 HA GLN A 51 9.910 -8.929 8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.100 -7.817 8.884 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.898 -8.957 9.949 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.386 -6.433 9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.866 -6.250 10.314 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.781 -8.370 10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.916 -8.481 12.058 1.00 0.00 H new ATOM 729 N GLN A 52 7.625 -9.394 6.270 1.00 0.00 N ATOM 730 CA GLN A 52 6.940 -10.400 5.466 1.00 0.00 C ATOM 731 C GLN A 52 7.936 -11.213 4.647 1.00 0.00 C ATOM 732 O GLN A 52 7.677 -12.367 4.303 1.00 0.00 O ATOM 733 CB GLN A 52 5.922 -9.734 4.538 1.00 0.00 C ATOM 734 CG GLN A 52 4.477 -10.014 4.918 1.00 0.00 C ATOM 735 CD GLN A 52 4.195 -11.493 5.091 1.00 0.00 C ATOM 736 OE1 GLN A 52 3.895 -11.956 6.192 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.290 -12.245 4.000 1.00 0.00 N ATOM 0 H GLN A 52 7.546 -8.442 5.913 1.00 0.00 H new ATOM 0 HA GLN A 52 6.417 -11.076 6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.088 -8.657 4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.094 -10.078 3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.242 -9.492 5.846 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.818 -9.610 4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.541 -11.820 3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.111 -13.248 4.055 1.00 0.00 H new ATOM 746 N LEU A 53 9.076 -10.606 4.338 1.00 0.00 N ATOM 747 CA LEU A 53 10.113 -11.274 3.559 1.00 0.00 C ATOM 748 C LEU A 53 10.823 -12.334 4.394 1.00 0.00 C ATOM 749 O LEU A 53 10.877 -13.505 4.015 1.00 0.00 O ATOM 750 CB LEU A 53 11.127 -10.253 3.041 1.00 0.00 C ATOM 751 CG LEU A 53 11.061 -9.941 1.545 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.618 -9.939 1.063 1.00 0.00 C ATOM 753 CD2 LEU A 53 11.726 -8.605 1.249 1.00 0.00 C ATOM 0 H LEU A 53 9.306 -9.652 4.615 1.00 0.00 H new ATOM 0 HA LEU A 53 9.636 -11.765 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.990 -9.323 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.128 -10.616 3.272 1.00 0.00 H new ATOM 0 HG LEU A 53 11.601 -10.720 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.591 -9.715 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.174 -10.919 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.054 -9.182 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.670 -8.399 0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.214 -7.814 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.771 -8.643 1.557 1.00 0.00 H new ATOM 765 N LEU A 54 11.366 -11.918 5.533 1.00 0.00 N ATOM 766 CA LEU A 54 12.071 -12.832 6.424 1.00 0.00 C ATOM 767 C LEU A 54 11.089 -13.631 7.274 1.00 0.00 C ATOM 768 O LEU A 54 11.485 -14.513 8.036 1.00 0.00 O ATOM 769 CB LEU A 54 13.031 -12.056 7.328 1.00 0.00 C ATOM 770 CG LEU A 54 12.496 -11.681 8.710 1.00 0.00 C ATOM 771 CD1 LEU A 54 11.057 -11.196 8.612 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.599 -12.864 9.661 1.00 0.00 C ATOM 0 H LEU A 54 11.331 -10.953 5.861 1.00 0.00 H new ATOM 0 HA LEU A 54 12.642 -13.529 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.935 -12.651 7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.323 -11.141 6.813 1.00 0.00 H new ATOM 0 HG LEU A 54 13.105 -10.869 9.106 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.693 -10.934 9.605 1.00 0.00 H new ATOM 0 HD12 LEU A 54 11.012 -10.319 7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.434 -11.987 8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.214 -12.579 10.640 1.00 0.00 H new ATOM 0 HD22 LEU A 54 12.015 -13.697 9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.642 -13.165 9.756 1.00 0.00 H new ATOM 784 N ASP A 55 9.805 -13.317 7.137 1.00 0.00 N ATOM 785 CA ASP A 55 8.764 -14.008 7.890 1.00 0.00 C ATOM 786 C ASP A 55 8.954 -15.520 7.817 1.00 0.00 C ATOM 787 O ASP A 55 9.211 -16.073 6.749 1.00 0.00 O ATOM 788 CB ASP A 55 7.382 -13.629 7.356 1.00 0.00 C ATOM 789 CG ASP A 55 6.798 -14.697 6.452 1.00 0.00 C ATOM 790 OD1 ASP A 55 7.279 -14.835 5.309 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.858 -15.395 6.889 1.00 0.00 O ATOM 0 H ASP A 55 9.460 -12.589 6.512 1.00 0.00 H new ATOM 0 HA ASP A 55 8.839 -13.700 8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.706 -13.457 8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.453 -12.691 6.806 1.00 0.00 H new ATOM 796 N GLY A 56 8.827 -16.183 8.963 1.00 0.00 N ATOM 797 CA GLY A 56 8.989 -17.624 9.008 1.00 0.00 C ATOM 798 C GLY A 56 9.746 -18.085 10.238 1.00 0.00 C ATOM 799 O GLY A 56 9.506 -19.178 10.750 1.00 0.00 O ATOM 0 H GLY A 56 8.615 -15.747 9.861 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.007 -18.097 8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.518 -17.955 8.114 1.00 0.00 H new ATOM 803 N SER A 57 10.665 -17.249 10.712 1.00 0.00 N ATOM 804 CA SER A 57 11.464 -17.579 11.886 1.00 0.00 C ATOM 805 C SER A 57 11.077 -16.699 13.071 1.00 0.00 C ATOM 806 O SER A 57 11.052 -17.154 14.214 1.00 0.00 O ATOM 807 CB SER A 57 12.953 -17.413 11.579 1.00 0.00 C ATOM 808 OG SER A 57 13.195 -16.218 10.856 1.00 0.00 O ATOM 0 H SER A 57 10.874 -16.339 10.301 1.00 0.00 H new ATOM 0 HA SER A 57 11.268 -18.619 12.148 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.520 -17.400 12.510 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.306 -18.268 11.003 1.00 0.00 H new ATOM 0 HG SER A 57 14.154 -16.134 10.674 1.00 0.00 H new ATOM 814 N GLY A 58 10.774 -15.436 12.789 1.00 0.00 N ATOM 815 CA GLY A 58 10.392 -14.512 13.840 1.00 0.00 C ATOM 816 C GLY A 58 11.589 -13.864 14.507 1.00 0.00 C ATOM 817 O GLY A 58 12.174 -14.428 15.433 1.00 0.00 O ATOM 0 H GLY A 58 10.786 -15.036 11.851 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.749 -13.737 13.422 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.805 -15.042 14.590 1.00 0.00 H new ATOM 821 N LEU A 59 11.958 -12.678 14.035 1.00 0.00 N ATOM 822 CA LEU A 59 13.095 -11.954 14.590 1.00 0.00 C ATOM 823 C LEU A 59 12.717 -10.512 14.916 1.00 0.00 C ATOM 824 O LEU A 59 11.623 -10.058 14.581 1.00 0.00 O ATOM 825 CB LEU A 59 14.268 -11.975 13.608 1.00 0.00 C ATOM 826 CG LEU A 59 15.179 -13.201 13.677 1.00 0.00 C ATOM 827 CD1 LEU A 59 14.871 -14.159 12.536 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.641 -12.782 13.643 1.00 0.00 C ATOM 0 H LEU A 59 11.486 -12.198 13.269 1.00 0.00 H new ATOM 0 HA LEU A 59 13.393 -12.450 15.514 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.870 -11.899 12.596 1.00 0.00 H new ATOM 0 HB3 LEU A 59 14.875 -11.086 13.779 1.00 0.00 H new ATOM 0 HG LEU A 59 14.991 -13.717 14.619 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.529 -15.026 12.601 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.833 -14.485 12.605 1.00 0.00 H new ATOM 0 HD13 LEU A 59 15.030 -13.653 11.583 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.275 -13.668 13.693 1.00 0.00 H new ATOM 0 HD22 LEU A 59 16.844 -12.243 12.718 1.00 0.00 H new ATOM 0 HD23 LEU A 59 16.854 -12.135 14.494 1.00 0.00 H new ATOM 840 N GLN A 60 13.628 -9.800 15.570 1.00 0.00 N ATOM 841 CA GLN A 60 13.389 -8.409 15.939 1.00 0.00 C ATOM 842 C GLN A 60 14.244 -7.468 15.097 1.00 0.00 C ATOM 843 O GLN A 60 15.418 -7.737 14.844 1.00 0.00 O ATOM 844 CB GLN A 60 13.687 -8.196 17.424 1.00 0.00 C ATOM 845 CG GLN A 60 15.172 -8.124 17.743 1.00 0.00 C ATOM 846 CD GLN A 60 15.526 -8.831 19.036 1.00 0.00 C ATOM 847 OE1 GLN A 60 15.247 -8.332 20.127 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.144 -10.001 18.921 1.00 0.00 N ATOM 0 H GLN A 60 14.538 -10.162 15.855 1.00 0.00 H new ATOM 0 HA GLN A 60 12.339 -8.184 15.750 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.208 -7.274 17.753 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.240 -9.009 17.996 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.738 -8.568 16.924 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.475 -7.079 17.810 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.356 -10.377 17.997 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.407 -10.523 19.757 1.00 0.00 H new ATOM 857 N VAL A 61 13.646 -6.362 14.663 1.00 0.00 N ATOM 858 CA VAL A 61 14.352 -5.380 13.850 1.00 0.00 C ATOM 859 C VAL A 61 14.329 -4.004 14.506 1.00 0.00 C ATOM 860 O VAL A 61 13.279 -3.529 14.941 1.00 0.00 O ATOM 861 CB VAL A 61 13.741 -5.275 12.440 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.673 -4.516 11.509 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.435 -6.660 11.888 1.00 0.00 C ATOM 0 H VAL A 61 12.674 -6.125 14.861 1.00 0.00 H new ATOM 0 HA VAL A 61 15.384 -5.722 13.766 1.00 0.00 H new ATOM 0 HB VAL A 61 12.805 -4.721 12.509 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.224 -4.452 10.518 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.837 -3.511 11.898 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.627 -5.040 11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.004 -6.567 10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.355 -7.241 11.833 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.726 -7.165 12.544 1.00 0.00 H new ATOM 873 N LYS A 62 15.493 -3.367 14.573 1.00 0.00 N ATOM 874 CA LYS A 62 15.607 -2.044 15.174 1.00 0.00 C ATOM 875 C LYS A 62 16.587 -1.174 14.393 1.00 0.00 C ATOM 876 O LYS A 62 17.625 -1.638 13.920 1.00 0.00 O ATOM 877 CB LYS A 62 16.061 -2.160 16.631 1.00 0.00 C ATOM 878 CG LYS A 62 17.193 -3.153 16.838 1.00 0.00 C ATOM 879 CD LYS A 62 16.698 -4.433 17.490 1.00 0.00 C ATOM 880 CE LYS A 62 16.373 -4.220 18.960 1.00 0.00 C ATOM 881 NZ LYS A 62 17.453 -4.736 19.847 1.00 0.00 N ATOM 0 H LYS A 62 16.371 -3.746 14.218 1.00 0.00 H new ATOM 0 HA LYS A 62 14.625 -1.573 15.142 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.381 -1.179 16.983 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.211 -2.457 17.245 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.653 -3.387 15.878 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.965 -2.701 17.461 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.810 -4.789 16.968 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.457 -5.209 17.393 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.225 -3.157 19.149 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.435 -4.720 19.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.030 -5.171 20.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.013 -5.447 19.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.071 -3.951 20.135 1.00 0.00 H new ATOM 895 N PRO A 63 16.254 0.118 14.255 1.00 0.00 N ATOM 896 CA PRO A 63 17.093 1.079 13.534 1.00 0.00 C ATOM 897 C PRO A 63 18.387 1.391 14.277 1.00 0.00 C ATOM 898 O PRO A 63 18.497 1.154 15.481 1.00 0.00 O ATOM 899 CB PRO A 63 16.210 2.327 13.450 1.00 0.00 C ATOM 900 CG PRO A 63 15.279 2.211 14.606 1.00 0.00 C ATOM 901 CD PRO A 63 15.032 0.739 14.793 1.00 0.00 C ATOM 0 HA PRO A 63 17.408 0.697 12.563 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.805 3.238 13.511 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.666 2.364 12.506 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.714 2.651 15.503 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.347 2.741 14.411 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.882 0.487 15.843 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.143 0.409 14.255 1.00 0.00 H new ATOM 909 N LEU A 64 19.365 1.925 13.554 1.00 0.00 N ATOM 910 CA LEU A 64 20.653 2.271 14.145 1.00 0.00 C ATOM 911 C LEU A 64 20.887 3.777 14.100 1.00 0.00 C ATOM 912 O LEU A 64 21.115 4.412 15.129 1.00 0.00 O ATOM 913 CB LEU A 64 21.784 1.546 13.413 1.00 0.00 C ATOM 914 CG LEU A 64 21.440 0.170 12.842 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.588 -0.360 11.997 1.00 0.00 C ATOM 916 CD2 LEU A 64 21.107 -0.805 13.962 1.00 0.00 C ATOM 0 H LEU A 64 19.291 2.128 12.557 1.00 0.00 H new ATOM 0 HA LEU A 64 20.642 1.955 15.188 1.00 0.00 H new ATOM 0 HB2 LEU A 64 22.127 2.181 12.596 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.621 1.433 14.101 1.00 0.00 H new ATOM 0 HG LEU A 64 20.563 0.273 12.204 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.325 -1.340 11.599 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.780 0.327 11.173 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.483 -0.447 12.613 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.865 -1.779 13.537 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.965 -0.903 14.627 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.252 -0.433 14.526 1.00 0.00 H new ATOM 928 N GLY A 65 20.826 4.345 12.899 1.00 0.00 N ATOM 929 CA GLY A 65 21.031 5.773 12.742 1.00 0.00 C ATOM 930 C GLY A 65 19.868 6.452 12.045 1.00 0.00 C ATOM 931 O GLY A 65 18.763 6.510 12.582 1.00 0.00 O ATOM 0 H GLY A 65 20.638 3.841 12.032 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.178 6.226 13.723 1.00 0.00 H new ATOM 0 HA3 GLY A 65 21.944 5.946 12.171 1.00 0.00 H new ATOM 935 N ASN A 66 20.119 6.968 10.846 1.00 0.00 N ATOM 936 CA ASN A 66 19.085 7.649 10.076 1.00 0.00 C ATOM 937 C ASN A 66 17.950 6.692 9.723 1.00 0.00 C ATOM 938 O ASN A 66 16.922 6.657 10.397 1.00 0.00 O ATOM 939 CB ASN A 66 19.680 8.245 8.798 1.00 0.00 C ATOM 940 CG ASN A 66 18.639 8.947 7.948 1.00 0.00 C ATOM 941 OD1 ASN A 66 18.125 10.001 8.322 1.00 0.00 O ATOM 942 ND2 ASN A 66 18.323 8.363 6.798 1.00 0.00 N ATOM 0 H ASN A 66 21.029 6.927 10.387 1.00 0.00 H new ATOM 0 HA ASN A 66 18.681 8.454 10.690 1.00 0.00 H new ATOM 0 HB2 ASN A 66 20.466 8.952 9.062 1.00 0.00 H new ATOM 0 HB3 ASN A 66 20.147 7.452 8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 66 17.628 8.788 6.184 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.775 7.489 6.529 1.00 0.00 H new ATOM 949 N ASN A 67 18.147 5.916 8.662 1.00 0.00 N ATOM 950 CA ASN A 67 17.140 4.957 8.219 1.00 0.00 C ATOM 951 C ASN A 67 17.749 3.569 8.049 1.00 0.00 C ATOM 952 O ASN A 67 17.288 2.774 7.229 1.00 0.00 O ATOM 953 CB ASN A 67 16.513 5.417 6.902 1.00 0.00 C ATOM 954 CG ASN A 67 14.999 5.330 6.921 1.00 0.00 C ATOM 955 OD1 ASN A 67 14.307 6.302 6.618 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.478 4.162 7.278 1.00 0.00 N ATOM 0 H ASN A 67 18.994 5.932 8.093 1.00 0.00 H new ATOM 0 HA ASN A 67 16.364 4.902 8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.813 6.445 6.700 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.899 4.806 6.086 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.465 4.043 7.309 1.00 0.00 H new ATOM 0 HD22 ASN A 67 15.090 3.383 7.521 1.00 0.00 H new ATOM 963 N SER A 68 18.787 3.284 8.829 1.00 0.00 N ATOM 964 CA SER A 68 19.462 1.993 8.762 1.00 0.00 C ATOM 965 C SER A 68 18.887 1.026 9.792 1.00 0.00 C ATOM 966 O SER A 68 18.937 1.281 10.995 1.00 0.00 O ATOM 967 CB SER A 68 20.964 2.166 8.992 1.00 0.00 C ATOM 968 OG SER A 68 21.238 3.367 9.694 1.00 0.00 O ATOM 0 H SER A 68 19.179 3.930 9.515 1.00 0.00 H new ATOM 0 HA SER A 68 19.300 1.577 7.768 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.349 1.316 9.555 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.483 2.175 8.034 1.00 0.00 H new ATOM 0 HG SER A 68 22.205 3.453 9.830 1.00 0.00 H new ATOM 974 N TRP A 69 18.341 -0.085 9.311 1.00 0.00 N ATOM 975 CA TRP A 69 17.755 -1.092 10.189 1.00 0.00 C ATOM 976 C TRP A 69 18.577 -2.376 10.169 1.00 0.00 C ATOM 977 O TRP A 69 19.248 -2.681 9.183 1.00 0.00 O ATOM 978 CB TRP A 69 16.314 -1.388 9.770 1.00 0.00 C ATOM 979 CG TRP A 69 15.416 -0.190 9.846 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.617 1.024 9.255 1.00 0.00 C ATOM 981 CD2 TRP A 69 14.176 -0.093 10.555 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.577 1.871 9.554 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.679 1.209 10.349 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.435 -0.979 11.341 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.478 1.644 10.903 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.243 -0.547 11.890 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.774 0.755 11.669 1.00 0.00 C ATOM 0 H TRP A 69 18.292 -0.312 8.318 1.00 0.00 H new ATOM 0 HA TRP A 69 17.756 -0.697 11.205 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.311 -1.771 8.750 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.912 -2.176 10.407 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.468 1.281 8.642 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.488 2.836 9.236 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.788 -1.985 11.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 12.115 2.647 10.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.663 -1.224 12.500 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.838 1.063 12.112 1.00 0.00 H new ATOM 998 N THR A 70 18.521 -3.126 11.265 1.00 0.00 N ATOM 999 CA THR A 70 19.261 -4.377 11.374 1.00 0.00 C ATOM 1000 C THR A 70 18.396 -5.477 11.977 1.00 0.00 C ATOM 1001 O THR A 70 17.436 -5.202 12.698 1.00 0.00 O ATOM 1002 CB THR A 70 20.528 -4.207 12.234 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.306 -5.409 12.202 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.165 -3.870 13.672 1.00 0.00 C ATOM 0 H THR A 70 17.970 -2.889 12.090 1.00 0.00 H new ATOM 0 HA THR A 70 19.552 -4.661 10.363 1.00 0.00 H new ATOM 0 HB THR A 70 21.113 -3.385 11.822 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.468 -5.669 11.271 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.076 -3.755 14.260 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.598 -2.940 13.696 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.561 -4.674 14.093 1.00 0.00 H new ATOM 1012 N LEU A 71 18.740 -6.725 11.678 1.00 0.00 N ATOM 1013 CA LEU A 71 17.995 -7.869 12.192 1.00 0.00 C ATOM 1014 C LEU A 71 18.724 -8.511 13.368 1.00 0.00 C ATOM 1015 O LEU A 71 19.899 -8.861 13.264 1.00 0.00 O ATOM 1016 CB LEU A 71 17.780 -8.902 11.085 1.00 0.00 C ATOM 1017 CG LEU A 71 16.372 -8.968 10.492 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.363 -9.372 11.556 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.991 -7.631 9.873 1.00 0.00 C ATOM 0 H LEU A 71 19.530 -6.970 11.082 1.00 0.00 H new ATOM 0 HA LEU A 71 17.026 -7.512 12.541 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.483 -8.692 10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.033 -9.886 11.480 1.00 0.00 H new ATOM 0 HG LEU A 71 16.364 -9.724 9.707 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.367 -9.414 11.116 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.626 -10.353 11.953 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.372 -8.640 12.363 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.986 -7.696 9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.017 -6.855 10.638 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.697 -7.382 9.081 1.00 0.00 H new ATOM 1031 N GLU A 72 18.018 -8.664 14.484 1.00 0.00 N ATOM 1032 CA GLU A 72 18.599 -9.265 15.678 1.00 0.00 C ATOM 1033 C GLU A 72 17.816 -10.505 16.099 1.00 0.00 C ATOM 1034 O GLU A 72 16.585 -10.530 16.079 1.00 0.00 O ATOM 1035 CB GLU A 72 18.626 -8.252 16.825 1.00 0.00 C ATOM 1036 CG GLU A 72 19.085 -8.842 18.147 1.00 0.00 C ATOM 1037 CD GLU A 72 18.858 -7.903 19.316 1.00 0.00 C ATOM 1038 OE1 GLU A 72 19.509 -6.838 19.355 1.00 0.00 O ATOM 1039 OE2 GLU A 72 18.030 -8.232 20.190 1.00 0.00 O ATOM 0 H GLU A 72 17.044 -8.380 14.586 1.00 0.00 H new ATOM 0 HA GLU A 72 19.620 -9.564 15.442 1.00 0.00 H new ATOM 0 HB2 GLU A 72 19.287 -7.428 16.555 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.628 -7.832 16.951 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.553 -9.776 18.328 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.145 -9.086 18.083 1.00 0.00 H new