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 60 GLN : amide:sc= 0.919 K(o=0.92,f=-1.4) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.62) USER MOD Set 2.1: A 2 GLN : amide:sc= 0 X(o=-0.07,f=-0.07) USER MOD Set 2.2: A 4 ASN : amide:sc= -0.0695 X(o=-0.07,f=-0.2) USER MOD Single : A 9 SER OG : rot 56:sc= 1.07 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.837 X(o=-0.84,f=-0.6) USER MOD Single : A 16 GLN : amide:sc= -0.579 K(o=-0.58,f=-2.5!) USER MOD Single : A 17 TYR OH : rot 180:sc= -5.01! USER MOD Single : A 20 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.68) USER MOD Single : A 21 SER OG : rot 130:sc= -0.826 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 41:sc= 0.0565 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) 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 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.871 K(o=-0.87,f=-0.36) USER MOD Single : A 67 ASN : amide:sc= -0.694 K(o=-0.69,f=-0.091) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 44:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 1.718 -1.672 -3.287 1.00 0.00 N ATOM 12 CA GLN A 2 1.767 -3.048 -3.768 1.00 0.00 C ATOM 13 C GLN A 2 3.178 -3.418 -4.216 1.00 0.00 C ATOM 14 O GLN A 2 3.765 -2.751 -5.067 1.00 0.00 O ATOM 15 CB GLN A 2 0.785 -3.242 -4.924 1.00 0.00 C ATOM 16 CG GLN A 2 -0.063 -4.497 -4.798 1.00 0.00 C ATOM 17 CD GLN A 2 -0.009 -5.365 -6.039 1.00 0.00 C ATOM 18 OE1 GLN A 2 -0.822 -5.214 -6.952 1.00 0.00 O ATOM 19 NE2 GLN A 2 0.952 -6.281 -6.081 1.00 0.00 N ATOM 0 HA GLN A 2 1.483 -3.704 -2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.128 -2.374 -4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.342 -3.282 -5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.277 -5.076 -3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.097 -4.214 -4.602 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.604 -6.372 -5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.038 -6.894 -6.892 1.00 0.00 H new ATOM 28 N VAL A 3 3.716 -4.486 -3.636 1.00 0.00 N ATOM 29 CA VAL A 3 5.058 -4.946 -3.976 1.00 0.00 C ATOM 30 C VAL A 3 5.092 -6.460 -4.150 1.00 0.00 C ATOM 31 O VAL A 3 4.743 -7.208 -3.238 1.00 0.00 O ATOM 32 CB VAL A 3 6.080 -4.540 -2.897 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.461 -5.074 -3.243 1.00 0.00 C ATOM 34 CG2 VAL A 3 6.109 -3.028 -2.733 1.00 0.00 C ATOM 0 H VAL A 3 3.244 -5.049 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 3 5.327 -4.469 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 3 5.774 -4.979 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.170 -4.778 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.425 -6.162 -3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.779 -4.666 -4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.836 -2.759 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.390 -2.565 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.121 -2.675 -2.436 1.00 0.00 H new ATOM 44 N ASN A 4 5.517 -6.905 -5.328 1.00 0.00 N ATOM 45 CA ASN A 4 5.597 -8.331 -5.622 1.00 0.00 C ATOM 46 C ASN A 4 7.036 -8.746 -5.912 1.00 0.00 C ATOM 47 O ASN A 4 7.608 -8.369 -6.935 1.00 0.00 O ATOM 48 CB ASN A 4 4.705 -8.678 -6.816 1.00 0.00 C ATOM 49 CG ASN A 4 4.682 -7.578 -7.860 1.00 0.00 C ATOM 50 OD1 ASN A 4 3.914 -6.622 -7.754 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.527 -7.709 -8.876 1.00 0.00 N ATOM 0 H ASN A 4 5.811 -6.299 -6.094 1.00 0.00 H new ATOM 0 HA ASN A 4 5.249 -8.877 -4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.058 -9.602 -7.274 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.690 -8.864 -6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.557 -7.000 -9.609 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.146 -8.518 -8.923 1.00 0.00 H new ATOM 58 N ILE A 5 7.615 -9.526 -5.004 1.00 0.00 N ATOM 59 CA ILE A 5 8.986 -9.994 -5.163 1.00 0.00 C ATOM 60 C ILE A 5 9.049 -11.517 -5.176 1.00 0.00 C ATOM 61 O ILE A 5 8.399 -12.182 -4.370 1.00 0.00 O ATOM 62 CB ILE A 5 9.896 -9.463 -4.040 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.857 -7.934 -4.001 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.322 -9.957 -4.234 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.406 -7.347 -2.720 1.00 0.00 C ATOM 0 H ILE A 5 7.156 -9.847 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 5 9.341 -9.610 -6.119 1.00 0.00 H new ATOM 0 HB ILE A 5 9.528 -9.841 -3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.427 -7.543 -4.844 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.827 -7.602 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.952 -9.573 -3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.335 -11.047 -4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.701 -9.606 -5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.347 -6.259 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.821 -7.709 -1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.446 -7.649 -2.598 1.00 0.00 H new ATOM 77 N ALA A 6 9.838 -12.064 -6.095 1.00 0.00 N ATOM 78 CA ALA A 6 9.990 -13.509 -6.211 1.00 0.00 C ATOM 79 C ALA A 6 11.113 -14.016 -5.312 1.00 0.00 C ATOM 80 O ALA A 6 12.216 -13.471 -5.289 1.00 0.00 O ATOM 81 CB ALA A 6 10.252 -13.898 -7.658 1.00 0.00 C ATOM 0 H ALA A 6 10.382 -11.528 -6.771 1.00 0.00 H new ATOM 0 HA ALA A 6 9.060 -13.975 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.363 -14.980 -7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.415 -13.578 -8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.166 -13.415 -8.005 1.00 0.00 H new ATOM 87 N PRO A 7 10.828 -15.085 -4.554 1.00 0.00 N ATOM 88 CA PRO A 7 11.801 -15.690 -3.640 1.00 0.00 C ATOM 89 C PRO A 7 12.932 -16.395 -4.381 1.00 0.00 C ATOM 90 O PRO A 7 13.129 -16.186 -5.577 1.00 0.00 O ATOM 91 CB PRO A 7 10.966 -16.701 -2.851 1.00 0.00 C ATOM 92 CG PRO A 7 9.828 -17.038 -3.751 1.00 0.00 C ATOM 93 CD PRO A 7 9.533 -15.786 -4.531 1.00 0.00 C ATOM 0 HA PRO A 7 12.293 -14.944 -3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.549 -17.587 -2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.615 -16.276 -1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.087 -17.861 -4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.957 -17.355 -3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.181 -16.013 -5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.760 -15.186 -4.051 1.00 0.00 H new ATOM 101 N GLY A 8 13.673 -17.232 -3.661 1.00 0.00 N ATOM 102 CA GLY A 8 14.775 -17.955 -4.268 1.00 0.00 C ATOM 103 C GLY A 8 16.123 -17.352 -3.927 1.00 0.00 C ATOM 104 O GLY A 8 17.147 -17.746 -4.485 1.00 0.00 O ATOM 0 H GLY A 8 13.530 -17.422 -2.669 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.751 -18.993 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.648 -17.963 -5.350 1.00 0.00 H new ATOM 108 N SER A 9 16.124 -16.391 -3.008 1.00 0.00 N ATOM 109 CA SER A 9 17.356 -15.727 -2.597 1.00 0.00 C ATOM 110 C SER A 9 17.073 -14.660 -1.544 1.00 0.00 C ATOM 111 O SER A 9 16.460 -13.632 -1.834 1.00 0.00 O ATOM 112 CB SER A 9 18.048 -15.095 -3.807 1.00 0.00 C ATOM 113 OG SER A 9 19.082 -15.931 -4.297 1.00 0.00 O ATOM 0 H SER A 9 15.286 -16.055 -2.534 1.00 0.00 H new ATOM 0 HA SER A 9 18.016 -16.477 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.317 -14.915 -4.595 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.461 -14.126 -3.528 1.00 0.00 H new ATOM 0 HG SER A 9 18.716 -16.815 -4.508 1.00 0.00 H new ATOM 119 N LEU A 10 17.523 -14.912 -0.320 1.00 0.00 N ATOM 120 CA LEU A 10 17.319 -13.974 0.778 1.00 0.00 C ATOM 121 C LEU A 10 17.962 -12.626 0.469 1.00 0.00 C ATOM 122 O LEU A 10 17.380 -11.574 0.737 1.00 0.00 O ATOM 123 CB LEU A 10 17.899 -14.543 2.075 1.00 0.00 C ATOM 124 CG LEU A 10 17.502 -13.818 3.362 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.420 -14.798 4.522 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.490 -12.703 3.672 1.00 0.00 C ATOM 0 H LEU A 10 18.032 -15.758 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 10 16.246 -13.825 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.593 -15.586 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.986 -14.535 1.998 1.00 0.00 H new ATOM 0 HG LEU A 10 16.517 -13.374 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.136 -14.265 5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.674 -15.561 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.391 -15.271 4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.192 -12.198 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.487 -13.125 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.499 -11.986 2.851 1.00 0.00 H new ATOM 138 N ASP A 11 19.162 -12.665 -0.097 1.00 0.00 N ATOM 139 CA ASP A 11 19.883 -11.446 -0.447 1.00 0.00 C ATOM 140 C ASP A 11 19.133 -10.659 -1.517 1.00 0.00 C ATOM 141 O ASP A 11 19.097 -9.429 -1.488 1.00 0.00 O ATOM 142 CB ASP A 11 21.291 -11.784 -0.938 1.00 0.00 C ATOM 143 CG ASP A 11 21.320 -12.145 -2.410 1.00 0.00 C ATOM 144 OD1 ASP A 11 21.146 -13.340 -2.731 1.00 0.00 O ATOM 145 OD2 ASP A 11 21.516 -11.234 -3.241 1.00 0.00 O ATOM 0 H ASP A 11 19.657 -13.527 -0.324 1.00 0.00 H new ATOM 0 HA ASP A 11 19.957 -10.828 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.948 -10.932 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.686 -12.616 -0.355 1.00 0.00 H new ATOM 150 N LYS A 12 18.535 -11.377 -2.462 1.00 0.00 N ATOM 151 CA LYS A 12 17.785 -10.747 -3.542 1.00 0.00 C ATOM 152 C LYS A 12 16.480 -10.152 -3.024 1.00 0.00 C ATOM 153 O LYS A 12 16.222 -8.960 -3.188 1.00 0.00 O ATOM 154 CB LYS A 12 17.491 -11.765 -4.647 1.00 0.00 C ATOM 155 CG LYS A 12 18.680 -12.044 -5.549 1.00 0.00 C ATOM 156 CD LYS A 12 18.311 -11.906 -7.017 1.00 0.00 C ATOM 157 CE LYS A 12 18.249 -10.446 -7.440 1.00 0.00 C ATOM 158 NZ LYS A 12 18.271 -10.297 -8.922 1.00 0.00 N ATOM 0 H LYS A 12 18.555 -12.396 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 12 18.394 -9.941 -3.951 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.165 -12.700 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 12 16.663 -11.400 -5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.489 -11.354 -5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.053 -13.050 -5.360 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.044 -12.433 -7.629 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.346 -12.380 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.342 -9.991 -7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.092 -9.907 -7.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.227 -9.288 -9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.148 -10.709 -9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.453 -10.790 -9.333 1.00 0.00 H new ATOM 172 N ALA A 13 15.661 -10.990 -2.396 1.00 0.00 N ATOM 173 CA ALA A 13 14.385 -10.545 -1.851 1.00 0.00 C ATOM 174 C ALA A 13 14.565 -9.322 -0.958 1.00 0.00 C ATOM 175 O ALA A 13 13.679 -8.471 -0.866 1.00 0.00 O ATOM 176 CB ALA A 13 13.720 -11.673 -1.075 1.00 0.00 C ATOM 0 H ALA A 13 15.859 -11.980 -2.252 1.00 0.00 H new ATOM 0 HA ALA A 13 13.742 -10.263 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.768 -11.326 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.547 -12.519 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.368 -11.982 -0.255 1.00 0.00 H new ATOM 182 N LEU A 14 15.717 -9.239 -0.302 1.00 0.00 N ATOM 183 CA LEU A 14 16.014 -8.119 0.584 1.00 0.00 C ATOM 184 C LEU A 14 16.186 -6.828 -0.209 1.00 0.00 C ATOM 185 O LEU A 14 15.531 -5.825 0.070 1.00 0.00 O ATOM 186 CB LEU A 14 17.280 -8.406 1.394 1.00 0.00 C ATOM 187 CG LEU A 14 18.066 -7.182 1.866 1.00 0.00 C ATOM 188 CD1 LEU A 14 17.205 -6.308 2.764 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.334 -7.610 2.592 1.00 0.00 C ATOM 0 H LEU A 14 16.461 -9.934 -0.367 1.00 0.00 H new ATOM 0 HA LEU A 14 15.173 -7.995 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.002 -8.994 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.941 -9.027 0.789 1.00 0.00 H new ATOM 0 HG LEU A 14 18.351 -6.598 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.781 -5.442 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.327 -5.973 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.888 -6.882 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.881 -6.726 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.070 -8.217 3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.960 -8.194 1.917 1.00 0.00 H new ATOM 201 N ASN A 15 17.070 -6.861 -1.200 1.00 0.00 N ATOM 202 CA ASN A 15 17.327 -5.694 -2.036 1.00 0.00 C ATOM 203 C ASN A 15 16.070 -5.281 -2.795 1.00 0.00 C ATOM 204 O ASN A 15 15.848 -4.098 -3.051 1.00 0.00 O ATOM 205 CB ASN A 15 18.459 -5.985 -3.022 1.00 0.00 C ATOM 206 CG ASN A 15 19.644 -6.661 -2.360 1.00 0.00 C ATOM 207 OD1 ASN A 15 19.978 -6.368 -1.211 1.00 0.00 O ATOM 208 ND2 ASN A 15 20.287 -7.571 -3.082 1.00 0.00 N ATOM 0 H ASN A 15 17.621 -7.684 -1.444 1.00 0.00 H new ATOM 0 HA ASN A 15 17.624 -4.871 -1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.084 -6.620 -3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.786 -5.052 -3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 15 21.092 -8.058 -2.689 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.976 -7.783 -4.030 1.00 0.00 H new ATOM 215 N GLN A 16 15.250 -6.265 -3.150 1.00 0.00 N ATOM 216 CA GLN A 16 14.015 -6.004 -3.880 1.00 0.00 C ATOM 217 C GLN A 16 13.105 -5.067 -3.092 1.00 0.00 C ATOM 218 O GLN A 16 12.707 -4.012 -3.587 1.00 0.00 O ATOM 219 CB GLN A 16 13.284 -7.315 -4.174 1.00 0.00 C ATOM 220 CG GLN A 16 14.099 -8.292 -5.007 1.00 0.00 C ATOM 221 CD GLN A 16 13.673 -8.314 -6.462 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.819 -7.533 -6.883 1.00 0.00 O ATOM 223 NE2 GLN A 16 14.268 -9.212 -7.239 1.00 0.00 N ATOM 0 H GLN A 16 15.418 -7.250 -2.944 1.00 0.00 H new ATOM 0 HA GLN A 16 14.275 -5.522 -4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.015 -7.791 -3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.353 -7.093 -4.696 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.154 -8.025 -4.945 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.999 -9.293 -4.588 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.970 -9.839 -6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.022 -9.274 -8.227 1.00 0.00 H new ATOM 232 N TYR A 17 12.780 -5.459 -1.866 1.00 0.00 N ATOM 233 CA TYR A 17 11.914 -4.655 -1.011 1.00 0.00 C ATOM 234 C TYR A 17 12.661 -3.440 -0.468 1.00 0.00 C ATOM 235 O TYR A 17 12.080 -2.371 -0.287 1.00 0.00 O ATOM 236 CB TYR A 17 11.381 -5.499 0.148 1.00 0.00 C ATOM 237 CG TYR A 17 12.233 -5.423 1.395 1.00 0.00 C ATOM 238 CD1 TYR A 17 12.062 -4.397 2.316 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.209 -6.378 1.652 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.838 -4.323 3.456 1.00 0.00 C ATOM 241 CE2 TYR A 17 13.989 -6.313 2.791 1.00 0.00 C ATOM 242 CZ TYR A 17 13.801 -5.283 3.689 1.00 0.00 C ATOM 243 OH TYR A 17 14.575 -5.214 4.824 1.00 0.00 O ATOM 0 H TYR A 17 13.103 -6.328 -1.441 1.00 0.00 H new ATOM 0 HA TYR A 17 11.075 -4.305 -1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.369 -5.172 0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.313 -6.539 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.309 -3.644 2.137 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.361 -7.185 0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.692 -3.518 4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.742 -7.065 2.977 1.00 0.00 H new ATOM 0 HH TYR A 17 15.204 -5.966 4.837 1.00 0.00 H new ATOM 253 N ALA A 18 13.953 -3.614 -0.212 1.00 0.00 N ATOM 254 CA ALA A 18 14.782 -2.532 0.307 1.00 0.00 C ATOM 255 C ALA A 18 14.757 -1.326 -0.626 1.00 0.00 C ATOM 256 O ALA A 18 14.652 -0.185 -0.178 1.00 0.00 O ATOM 257 CB ALA A 18 16.210 -3.014 0.513 1.00 0.00 C ATOM 0 H ALA A 18 14.449 -4.494 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 18 14.373 -2.222 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.818 -2.196 0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.216 -3.840 1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.621 -3.352 -0.438 1.00 0.00 H new ATOM 263 N ALA A 19 14.856 -1.587 -1.926 1.00 0.00 N ATOM 264 CA ALA A 19 14.844 -0.522 -2.921 1.00 0.00 C ATOM 265 C ALA A 19 13.430 0.002 -3.147 1.00 0.00 C ATOM 266 O ALA A 19 13.240 1.138 -3.583 1.00 0.00 O ATOM 267 CB ALA A 19 15.440 -1.018 -4.231 1.00 0.00 C ATOM 0 H ALA A 19 14.945 -2.526 -2.314 1.00 0.00 H new ATOM 0 HA ALA A 19 15.453 0.300 -2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 19 15.425 -0.213 -4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 19 16.469 -1.338 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.854 -1.859 -4.602 1.00 0.00 H new ATOM 273 N HIS A 20 12.439 -0.832 -2.848 1.00 0.00 N ATOM 274 CA HIS A 20 11.041 -0.451 -3.018 1.00 0.00 C ATOM 275 C HIS A 20 10.604 0.517 -1.923 1.00 0.00 C ATOM 276 O HIS A 20 9.689 1.317 -2.116 1.00 0.00 O ATOM 277 CB HIS A 20 10.148 -1.692 -3.005 1.00 0.00 C ATOM 278 CG HIS A 20 10.006 -2.343 -4.346 1.00 0.00 C ATOM 279 ND1 HIS A 20 9.823 -1.631 -5.513 1.00 0.00 N ATOM 280 CD2 HIS A 20 10.024 -3.648 -4.703 1.00 0.00 C ATOM 281 CE1 HIS A 20 9.733 -2.470 -6.529 1.00 0.00 C ATOM 282 NE2 HIS A 20 9.852 -3.701 -6.064 1.00 0.00 N ATOM 0 H HIS A 20 12.578 -1.776 -2.487 1.00 0.00 H new ATOM 0 HA HIS A 20 10.941 0.050 -3.981 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.557 -2.416 -2.300 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.160 -1.414 -2.639 1.00 0.00 H new ATOM 0 HD2 HIS A 20 10.150 -4.491 -4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.587 -2.196 -7.564 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.821 -4.552 -6.625 1.00 0.00 H new ATOM 290 N SER A 21 11.265 0.438 -0.772 1.00 0.00 N ATOM 291 CA SER A 21 10.941 1.303 0.356 1.00 0.00 C ATOM 292 C SER A 21 11.745 2.599 0.294 1.00 0.00 C ATOM 293 O SER A 21 11.181 3.688 0.200 1.00 0.00 O ATOM 294 CB SER A 21 11.218 0.581 1.676 1.00 0.00 C ATOM 295 OG SER A 21 10.331 -0.510 1.856 1.00 0.00 O ATOM 0 H SER A 21 12.028 -0.216 -0.597 1.00 0.00 H new ATOM 0 HA SER A 21 9.881 1.549 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.247 0.223 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.113 1.280 2.506 1.00 0.00 H new ATOM 0 HG SER A 21 10.843 -1.313 2.086 1.00 0.00 H new ATOM 301 N GLY A 22 13.067 2.471 0.348 1.00 0.00 N ATOM 302 CA GLY A 22 13.928 3.639 0.298 1.00 0.00 C ATOM 303 C GLY A 22 14.711 3.837 1.580 1.00 0.00 C ATOM 304 O GLY A 22 15.098 4.958 1.913 1.00 0.00 O ATOM 0 H GLY A 22 13.557 1.580 0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.622 3.539 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.323 4.525 0.105 1.00 0.00 H new ATOM 308 N PHE A 23 14.946 2.747 2.303 1.00 0.00 N ATOM 309 CA PHE A 23 15.687 2.807 3.557 1.00 0.00 C ATOM 310 C PHE A 23 16.906 1.891 3.513 1.00 0.00 C ATOM 311 O PHE A 23 17.070 1.098 2.585 1.00 0.00 O ATOM 312 CB PHE A 23 14.782 2.415 4.727 1.00 0.00 C ATOM 313 CG PHE A 23 14.656 0.930 4.916 1.00 0.00 C ATOM 314 CD1 PHE A 23 14.022 0.149 3.964 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.173 0.315 6.045 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.904 -1.218 4.135 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.059 -1.051 6.222 1.00 0.00 C ATOM 318 CZ PHE A 23 14.424 -1.818 5.265 1.00 0.00 C ATOM 0 H PHE A 23 14.634 1.812 2.042 1.00 0.00 H new ATOM 0 HA PHE A 23 16.030 3.832 3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.173 2.858 5.643 1.00 0.00 H new ATOM 0 HB3 PHE A 23 13.790 2.838 4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.615 0.613 3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.671 0.910 6.796 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.406 -1.816 3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.466 -1.518 7.107 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.334 -2.886 5.400 1.00 0.00 H new ATOM 328 N THR A 24 17.762 2.006 4.524 1.00 0.00 N ATOM 329 CA THR A 24 18.968 1.190 4.601 1.00 0.00 C ATOM 330 C THR A 24 18.794 0.044 5.591 1.00 0.00 C ATOM 331 O THR A 24 18.058 0.163 6.571 1.00 0.00 O ATOM 332 CB THR A 24 20.190 2.032 5.016 1.00 0.00 C ATOM 333 OG1 THR A 24 20.310 3.176 4.164 1.00 0.00 O ATOM 334 CG2 THR A 24 21.465 1.205 4.947 1.00 0.00 C ATOM 0 H THR A 24 17.642 2.656 5.301 1.00 0.00 H new ATOM 0 HA THR A 24 19.139 0.782 3.605 1.00 0.00 H new ATOM 0 HB THR A 24 20.044 2.361 6.045 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.088 3.706 4.436 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.314 1.820 5.244 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.382 0.352 5.620 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.614 0.850 3.927 1.00 0.00 H new ATOM 342 N LEU A 25 19.477 -1.065 5.330 1.00 0.00 N ATOM 343 CA LEU A 25 19.398 -2.234 6.199 1.00 0.00 C ATOM 344 C LEU A 25 20.771 -2.877 6.373 1.00 0.00 C ATOM 345 O LEU A 25 21.539 -2.991 5.417 1.00 0.00 O ATOM 346 CB LEU A 25 18.413 -3.255 5.627 1.00 0.00 C ATOM 347 CG LEU A 25 17.932 -4.338 6.593 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.499 -4.070 7.024 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.051 -5.714 5.953 1.00 0.00 C ATOM 0 H LEU A 25 20.092 -1.179 4.524 1.00 0.00 H new ATOM 0 HA LEU A 25 19.044 -1.906 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.542 -2.718 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.881 -3.742 4.771 1.00 0.00 H new ATOM 0 HG LEU A 25 18.566 -4.316 7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.174 -4.851 7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.444 -3.102 7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.851 -4.065 6.148 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.704 -6.473 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.442 -5.749 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.092 -5.907 5.696 1.00 0.00 H new ATOM 361 N SER A 26 21.072 -3.296 7.598 1.00 0.00 N ATOM 362 CA SER A 26 22.352 -3.926 7.897 1.00 0.00 C ATOM 363 C SER A 26 22.148 -5.277 8.576 1.00 0.00 C ATOM 364 O SER A 26 21.843 -5.346 9.767 1.00 0.00 O ATOM 365 CB SER A 26 23.196 -3.015 8.791 1.00 0.00 C ATOM 366 OG SER A 26 24.560 -3.044 8.406 1.00 0.00 O ATOM 0 H SER A 26 20.447 -3.210 8.399 1.00 0.00 H new ATOM 0 HA SER A 26 22.878 -4.088 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.820 -1.994 8.733 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.101 -3.331 9.830 1.00 0.00 H new ATOM 0 HG SER A 26 25.078 -2.453 8.991 1.00 0.00 H new ATOM 372 N VAL A 27 22.317 -6.349 7.809 1.00 0.00 N ATOM 373 CA VAL A 27 22.153 -7.699 8.335 1.00 0.00 C ATOM 374 C VAL A 27 23.322 -8.591 7.935 1.00 0.00 C ATOM 375 O VAL A 27 23.801 -8.533 6.802 1.00 0.00 O ATOM 376 CB VAL A 27 20.841 -8.338 7.841 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.695 -8.162 6.337 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.789 -9.809 8.223 1.00 0.00 C ATOM 0 H VAL A 27 22.567 -6.309 6.821 1.00 0.00 H new ATOM 0 HA VAL A 27 22.121 -7.614 9.421 1.00 0.00 H new ATOM 0 HB VAL A 27 20.005 -7.832 8.324 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.763 -8.620 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.684 -7.099 6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.534 -8.641 5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.856 -10.245 7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.631 -10.333 7.770 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.843 -9.905 9.307 1.00 0.00 H new ATOM 388 N ASP A 28 23.776 -9.417 8.871 1.00 0.00 N ATOM 389 CA ASP A 28 24.890 -10.324 8.616 1.00 0.00 C ATOM 390 C ASP A 28 24.657 -11.124 7.338 1.00 0.00 C ATOM 391 O ASP A 28 23.869 -12.069 7.321 1.00 0.00 O ATOM 392 CB ASP A 28 25.083 -11.274 9.799 1.00 0.00 C ATOM 393 CG ASP A 28 25.510 -10.548 11.060 1.00 0.00 C ATOM 394 OD1 ASP A 28 24.624 -10.051 11.786 1.00 0.00 O ATOM 395 OD2 ASP A 28 26.729 -10.478 11.320 1.00 0.00 O ATOM 0 H ASP A 28 23.390 -9.478 9.813 1.00 0.00 H new ATOM 0 HA ASP A 28 25.792 -9.726 8.490 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.152 -11.808 9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 28 25.833 -12.022 9.542 1.00 0.00 H new ATOM 524 N SER A 37 14.374 -16.667 1.384 1.00 0.00 N ATOM 525 CA SER A 37 13.318 -15.957 2.096 1.00 0.00 C ATOM 526 C SER A 37 12.078 -15.808 1.221 1.00 0.00 C ATOM 527 O SER A 37 12.178 -15.645 0.005 1.00 0.00 O ATOM 528 CB SER A 37 13.812 -14.579 2.541 1.00 0.00 C ATOM 529 OG SER A 37 12.729 -13.747 2.920 1.00 0.00 O ATOM 0 HA SER A 37 13.051 -16.541 2.977 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.501 -14.689 3.379 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.369 -14.110 1.730 1.00 0.00 H new ATOM 0 HG SER A 37 12.078 -14.271 3.432 1.00 0.00 H new ATOM 535 N ASN A 38 10.908 -15.863 1.849 1.00 0.00 N ATOM 536 CA ASN A 38 9.646 -15.735 1.128 1.00 0.00 C ATOM 537 C ASN A 38 9.457 -14.312 0.613 1.00 0.00 C ATOM 538 O ASN A 38 9.426 -13.358 1.389 1.00 0.00 O ATOM 539 CB ASN A 38 8.475 -16.121 2.034 1.00 0.00 C ATOM 540 CG ASN A 38 8.449 -17.605 2.344 1.00 0.00 C ATOM 541 OD1 ASN A 38 8.125 -18.425 1.485 1.00 0.00 O ATOM 542 ND2 ASN A 38 8.791 -17.958 3.578 1.00 0.00 N ATOM 0 H ASN A 38 10.807 -15.995 2.855 1.00 0.00 H new ATOM 0 HA ASN A 38 9.674 -16.412 0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.539 -15.559 2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.539 -15.836 1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.792 -18.942 3.845 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.053 -17.245 4.258 1.00 0.00 H new ATOM 549 N GLY A 39 9.330 -14.177 -0.704 1.00 0.00 N ATOM 550 CA GLY A 39 9.145 -12.867 -1.301 1.00 0.00 C ATOM 551 C GLY A 39 7.921 -12.153 -0.764 1.00 0.00 C ATOM 552 O GLY A 39 7.267 -12.636 0.162 1.00 0.00 O ATOM 0 H GLY A 39 9.352 -14.951 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.029 -12.257 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.055 -12.973 -2.382 1.00 0.00 H new ATOM 556 N LEU A 40 7.609 -10.999 -1.344 1.00 0.00 N ATOM 557 CA LEU A 40 6.456 -10.215 -0.916 1.00 0.00 C ATOM 558 C LEU A 40 5.344 -10.270 -1.959 1.00 0.00 C ATOM 559 O LEU A 40 5.592 -10.543 -3.133 1.00 0.00 O ATOM 560 CB LEU A 40 6.865 -8.762 -0.667 1.00 0.00 C ATOM 561 CG LEU A 40 5.781 -7.848 -0.095 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.247 -8.407 1.214 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.323 -6.440 0.106 1.00 0.00 C ATOM 0 H LEU A 40 8.138 -10.586 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 40 6.081 -10.644 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.714 -8.757 0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.211 -8.336 -1.609 1.00 0.00 H new ATOM 0 HG LEU A 40 4.958 -7.801 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.477 -7.743 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.821 -9.395 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.060 -8.484 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.538 -5.803 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.164 -6.469 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.656 -6.038 -0.851 1.00 0.00 H new ATOM 575 N HIS A 41 4.116 -10.006 -1.522 1.00 0.00 N ATOM 576 CA HIS A 41 2.966 -10.023 -2.418 1.00 0.00 C ATOM 577 C HIS A 41 1.798 -9.246 -1.817 1.00 0.00 C ATOM 578 O HIS A 41 1.086 -9.750 -0.950 1.00 0.00 O ATOM 579 CB HIS A 41 2.540 -11.462 -2.710 1.00 0.00 C ATOM 580 CG HIS A 41 2.226 -11.713 -4.152 1.00 0.00 C ATOM 581 ND1 HIS A 41 0.962 -11.569 -4.683 1.00 0.00 N ATOM 582 CD2 HIS A 41 3.021 -12.100 -5.177 1.00 0.00 C ATOM 583 CE1 HIS A 41 0.992 -11.857 -5.972 1.00 0.00 C ATOM 584 NE2 HIS A 41 2.230 -12.182 -6.297 1.00 0.00 N ATOM 0 H HIS A 41 3.893 -9.778 -0.553 1.00 0.00 H new ATOM 0 HA HIS A 41 3.258 -9.543 -3.352 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.336 -12.138 -2.397 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.663 -11.702 -2.109 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.080 -12.306 -5.124 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.148 -11.831 -6.645 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.547 -12.450 -7.228 1.00 0.00 H new ATOM 592 N GLY A 42 1.608 -8.016 -2.285 1.00 0.00 N ATOM 593 CA GLY A 42 0.526 -7.190 -1.782 1.00 0.00 C ATOM 594 C GLY A 42 0.998 -5.816 -1.350 1.00 0.00 C ATOM 595 O GLY A 42 2.142 -5.437 -1.604 1.00 0.00 O ATOM 0 H GLY A 42 2.184 -7.577 -3.003 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.235 -7.083 -2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.053 -7.691 -0.937 1.00 0.00 H new ATOM 599 N ASP A 43 0.116 -5.067 -0.697 1.00 0.00 N ATOM 600 CA ASP A 43 0.449 -3.726 -0.230 1.00 0.00 C ATOM 601 C ASP A 43 0.972 -3.764 1.203 1.00 0.00 C ATOM 602 O ASP A 43 0.255 -4.152 2.126 1.00 0.00 O ATOM 603 CB ASP A 43 -0.777 -2.815 -0.314 1.00 0.00 C ATOM 604 CG ASP A 43 -1.964 -3.370 0.447 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.706 -4.193 -0.129 1.00 0.00 O ATOM 606 OD2 ASP A 43 -2.153 -2.980 1.619 1.00 0.00 O ATOM 0 H ASP A 43 -0.835 -5.366 -0.479 1.00 0.00 H new ATOM 0 HA ASP A 43 1.233 -3.328 -0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.523 -1.832 0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.052 -2.676 -1.360 1.00 0.00 H new ATOM 611 N TYR A 44 2.225 -3.361 1.380 1.00 0.00 N ATOM 612 CA TYR A 44 2.846 -3.353 2.699 1.00 0.00 C ATOM 613 C TYR A 44 3.925 -2.278 2.787 1.00 0.00 C ATOM 614 O TYR A 44 4.810 -2.200 1.934 1.00 0.00 O ATOM 615 CB TYR A 44 3.449 -4.723 3.011 1.00 0.00 C ATOM 616 CG TYR A 44 2.439 -5.849 2.987 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.602 -6.081 4.071 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.322 -6.679 1.879 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.679 -7.109 4.054 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.401 -7.708 1.852 1.00 0.00 C ATOM 621 CZ TYR A 44 0.582 -7.919 2.942 1.00 0.00 C ATOM 622 OH TYR A 44 -0.337 -8.943 2.920 1.00 0.00 O ATOM 0 H TYR A 44 2.831 -3.036 0.627 1.00 0.00 H new ATOM 0 HA TYR A 44 2.073 -3.128 3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.237 -4.937 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.919 -4.689 3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.674 -5.447 4.942 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.962 -6.517 1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.037 -7.277 4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.322 -8.344 0.983 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.278 -9.417 2.064 1.00 0.00 H new ATOM 632 N ASP A 45 3.845 -1.452 3.824 1.00 0.00 N ATOM 633 CA ASP A 45 4.815 -0.382 4.026 1.00 0.00 C ATOM 634 C ASP A 45 6.230 -0.943 4.125 1.00 0.00 C ATOM 635 O ASP A 45 6.445 -2.145 3.969 1.00 0.00 O ATOM 636 CB ASP A 45 4.477 0.410 5.290 1.00 0.00 C ATOM 637 CG ASP A 45 3.117 1.075 5.210 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.108 0.397 5.495 1.00 0.00 O ATOM 639 OD2 ASP A 45 3.062 2.273 4.862 1.00 0.00 O ATOM 0 H ASP A 45 3.118 -1.503 4.538 1.00 0.00 H new ATOM 0 HA ASP A 45 4.768 0.285 3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.502 -0.258 6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.241 1.170 5.454 1.00 0.00 H new ATOM 644 N VAL A 46 7.193 -0.064 4.385 1.00 0.00 N ATOM 645 CA VAL A 46 8.588 -0.471 4.505 1.00 0.00 C ATOM 646 C VAL A 46 8.771 -1.476 5.637 1.00 0.00 C ATOM 647 O VAL A 46 9.436 -2.498 5.470 1.00 0.00 O ATOM 648 CB VAL A 46 9.506 0.740 4.754 1.00 0.00 C ATOM 649 CG1 VAL A 46 9.020 1.541 5.952 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.944 0.285 4.954 1.00 0.00 C ATOM 0 H VAL A 46 7.032 0.935 4.517 1.00 0.00 H new ATOM 0 HA VAL A 46 8.865 -0.938 3.560 1.00 0.00 H new ATOM 0 HB VAL A 46 9.472 1.387 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.681 2.393 6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.007 1.898 5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.023 0.907 6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.579 1.153 5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.998 -0.383 5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.286 -0.242 4.063 1.00 0.00 H new ATOM 660 N GLU A 47 8.178 -1.177 6.788 1.00 0.00 N ATOM 661 CA GLU A 47 8.276 -2.055 7.948 1.00 0.00 C ATOM 662 C GLU A 47 7.409 -3.298 7.765 1.00 0.00 C ATOM 663 O GLU A 47 7.884 -4.425 7.903 1.00 0.00 O ATOM 664 CB GLU A 47 7.858 -1.310 9.217 1.00 0.00 C ATOM 665 CG GLU A 47 8.807 -0.189 9.605 1.00 0.00 C ATOM 666 CD GLU A 47 8.089 1.125 9.849 1.00 0.00 C ATOM 667 OE1 GLU A 47 7.629 1.346 10.989 1.00 0.00 O ATOM 668 OE2 GLU A 47 7.987 1.931 8.901 1.00 0.00 O ATOM 0 H GLU A 47 7.625 -0.334 6.942 1.00 0.00 H new ATOM 0 HA GLU A 47 9.315 -2.369 8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.860 -0.896 9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.793 -2.021 10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.351 -0.474 10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.546 -0.054 8.815 1.00 0.00 H new ATOM 675 N SER A 48 6.135 -3.082 7.454 1.00 0.00 N ATOM 676 CA SER A 48 5.200 -4.184 7.256 1.00 0.00 C ATOM 677 C SER A 48 5.722 -5.158 6.205 1.00 0.00 C ATOM 678 O SER A 48 5.775 -6.365 6.432 1.00 0.00 O ATOM 679 CB SER A 48 3.830 -3.648 6.836 1.00 0.00 C ATOM 680 OG SER A 48 2.791 -4.276 7.567 1.00 0.00 O ATOM 0 H SER A 48 5.727 -2.155 7.334 1.00 0.00 H new ATOM 0 HA SER A 48 5.100 -4.717 8.201 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.792 -2.571 6.997 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.682 -3.816 5.769 1.00 0.00 H new ATOM 0 HG SER A 48 1.926 -3.915 7.281 1.00 0.00 H new ATOM 686 N GLY A 49 6.107 -4.622 5.050 1.00 0.00 N ATOM 687 CA GLY A 49 6.620 -5.457 3.980 1.00 0.00 C ATOM 688 C GLY A 49 7.887 -6.190 4.373 1.00 0.00 C ATOM 689 O GLY A 49 8.033 -7.382 4.098 1.00 0.00 O ATOM 0 H GLY A 49 6.073 -3.625 4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.859 -6.182 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.818 -4.839 3.104 1.00 0.00 H new ATOM 693 N LEU A 50 8.806 -5.478 5.016 1.00 0.00 N ATOM 694 CA LEU A 50 10.068 -6.069 5.446 1.00 0.00 C ATOM 695 C LEU A 50 9.828 -7.340 6.254 1.00 0.00 C ATOM 696 O LEU A 50 10.371 -8.398 5.941 1.00 0.00 O ATOM 697 CB LEU A 50 10.866 -5.064 6.279 1.00 0.00 C ATOM 698 CG LEU A 50 11.810 -5.659 7.325 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.799 -6.612 6.671 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.544 -4.554 8.070 1.00 0.00 C ATOM 0 H LEU A 50 8.701 -4.491 5.251 1.00 0.00 H new ATOM 0 HA LEU A 50 10.640 -6.330 4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.452 -4.444 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.163 -4.404 6.787 1.00 0.00 H new ATOM 0 HG LEU A 50 11.216 -6.222 8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.462 -7.026 7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.256 -7.422 6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.388 -6.072 5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.211 -4.995 8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.126 -3.963 7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.821 -3.911 8.571 1.00 0.00 H new ATOM 712 N GLN A 51 9.008 -7.227 7.295 1.00 0.00 N ATOM 713 CA GLN A 51 8.694 -8.367 8.147 1.00 0.00 C ATOM 714 C GLN A 51 7.967 -9.452 7.359 1.00 0.00 C ATOM 715 O GLN A 51 8.007 -10.627 7.722 1.00 0.00 O ATOM 716 CB GLN A 51 7.839 -7.923 9.335 1.00 0.00 C ATOM 717 CG GLN A 51 8.458 -6.794 10.142 1.00 0.00 C ATOM 718 CD GLN A 51 9.100 -7.279 11.427 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.579 -7.053 12.519 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.239 -7.951 11.303 1.00 0.00 N ATOM 0 H GLN A 51 8.550 -6.358 7.568 1.00 0.00 H new ATOM 0 HA GLN A 51 9.632 -8.780 8.518 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.862 -7.605 8.970 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.671 -8.777 9.991 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.208 -6.287 9.535 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.689 -6.058 10.379 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.636 -8.116 10.378 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.717 -8.302 12.133 1.00 0.00 H new ATOM 729 N GLN A 52 7.304 -9.049 6.280 1.00 0.00 N ATOM 730 CA GLN A 52 6.567 -9.987 5.442 1.00 0.00 C ATOM 731 C GLN A 52 7.518 -10.803 4.572 1.00 0.00 C ATOM 732 O GLN A 52 7.205 -11.926 4.175 1.00 0.00 O ATOM 733 CB GLN A 52 5.566 -9.239 4.560 1.00 0.00 C ATOM 734 CG GLN A 52 4.163 -9.824 4.601 1.00 0.00 C ATOM 735 CD GLN A 52 4.077 -11.182 3.932 1.00 0.00 C ATOM 736 OE1 GLN A 52 4.389 -11.324 2.749 1.00 0.00 O ATOM 737 NE2 GLN A 52 3.653 -12.188 4.687 1.00 0.00 N ATOM 0 H GLN A 52 7.262 -8.080 5.966 1.00 0.00 H new ATOM 0 HA GLN A 52 6.025 -10.670 6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.525 -8.196 4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.924 -9.247 3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.841 -9.913 5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.473 -9.137 4.111 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.405 -12.024 5.663 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.575 -13.125 4.291 1.00 0.00 H new ATOM 746 N LEU A 53 8.680 -10.231 4.278 1.00 0.00 N ATOM 747 CA LEU A 53 9.678 -10.904 3.454 1.00 0.00 C ATOM 748 C LEU A 53 10.351 -12.034 4.227 1.00 0.00 C ATOM 749 O LEU A 53 10.356 -13.184 3.788 1.00 0.00 O ATOM 750 CB LEU A 53 10.730 -9.904 2.972 1.00 0.00 C ATOM 751 CG LEU A 53 10.530 -9.345 1.563 1.00 0.00 C ATOM 752 CD1 LEU A 53 9.940 -10.407 0.647 1.00 0.00 C ATOM 753 CD2 LEU A 53 9.638 -8.113 1.599 1.00 0.00 C ATOM 0 H LEU A 53 8.955 -9.302 4.598 1.00 0.00 H new ATOM 0 HA LEU A 53 9.170 -11.332 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.756 -9.069 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.707 -10.386 3.015 1.00 0.00 H new ATOM 0 HG LEU A 53 11.503 -9.052 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.804 -9.992 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.616 -11.260 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.976 -10.731 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.507 -7.729 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.666 -8.379 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.101 -7.347 2.221 1.00 0.00 H new ATOM 765 N LEU A 54 10.915 -11.699 5.382 1.00 0.00 N ATOM 766 CA LEU A 54 11.589 -12.685 6.220 1.00 0.00 C ATOM 767 C LEU A 54 10.582 -13.467 7.057 1.00 0.00 C ATOM 768 O LEU A 54 10.944 -14.412 7.759 1.00 0.00 O ATOM 769 CB LEU A 54 12.605 -11.999 7.133 1.00 0.00 C ATOM 770 CG LEU A 54 12.118 -11.656 8.542 1.00 0.00 C ATOM 771 CD1 LEU A 54 10.710 -11.083 8.495 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.165 -12.887 9.436 1.00 0.00 C ATOM 0 H LEU A 54 10.919 -10.752 5.760 1.00 0.00 H new ATOM 0 HA LEU A 54 12.112 -13.384 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.479 -12.644 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.934 -11.079 6.650 1.00 0.00 H new ATOM 0 HG LEU A 54 12.782 -10.900 8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.380 -10.845 9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.706 -10.177 7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.033 -11.816 8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.815 -12.625 10.435 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.524 -13.664 9.019 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.189 -13.255 9.495 1.00 0.00 H new ATOM 784 N ASP A 55 9.317 -13.069 6.976 1.00 0.00 N ATOM 785 CA ASP A 55 8.257 -13.734 7.724 1.00 0.00 C ATOM 786 C ASP A 55 8.345 -15.249 7.561 1.00 0.00 C ATOM 787 O ASP A 55 8.203 -15.773 6.457 1.00 0.00 O ATOM 788 CB ASP A 55 6.887 -13.238 7.259 1.00 0.00 C ATOM 789 CG ASP A 55 6.048 -12.699 8.402 1.00 0.00 C ATOM 790 OD1 ASP A 55 5.934 -13.393 9.434 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.507 -11.582 8.264 1.00 0.00 O ATOM 0 H ASP A 55 9.001 -12.289 6.400 1.00 0.00 H new ATOM 0 HA ASP A 55 8.384 -13.492 8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.021 -12.457 6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.353 -14.055 6.774 1.00 0.00 H new ATOM 796 N GLY A 56 8.580 -15.946 8.669 1.00 0.00 N ATOM 797 CA GLY A 56 8.684 -17.392 8.626 1.00 0.00 C ATOM 798 C GLY A 56 9.503 -17.948 9.775 1.00 0.00 C ATOM 799 O GLY A 56 9.400 -19.130 10.105 1.00 0.00 O ATOM 0 H GLY A 56 8.700 -15.535 9.595 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.685 -17.826 8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.137 -17.693 7.681 1.00 0.00 H new ATOM 803 N SER A 57 10.320 -17.095 10.384 1.00 0.00 N ATOM 804 CA SER A 57 11.164 -17.510 11.499 1.00 0.00 C ATOM 805 C SER A 57 10.824 -16.721 12.760 1.00 0.00 C ATOM 806 O SER A 57 10.663 -17.291 13.838 1.00 0.00 O ATOM 807 CB SER A 57 12.640 -17.319 11.147 1.00 0.00 C ATOM 808 OG SER A 57 12.839 -16.126 10.409 1.00 0.00 O ATOM 0 H SER A 57 10.416 -16.113 10.125 1.00 0.00 H new ATOM 0 HA SER A 57 10.977 -18.567 11.691 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.234 -17.288 12.061 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.992 -18.172 10.567 1.00 0.00 H new ATOM 0 HG SER A 57 13.791 -16.027 10.198 1.00 0.00 H new ATOM 814 N GLY A 58 10.718 -15.403 12.616 1.00 0.00 N ATOM 815 CA GLY A 58 10.398 -14.556 13.750 1.00 0.00 C ATOM 816 C GLY A 58 11.632 -13.940 14.379 1.00 0.00 C ATOM 817 O GLY A 58 12.278 -14.556 15.228 1.00 0.00 O ATOM 0 H GLY A 58 10.848 -14.907 11.734 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.723 -13.763 13.428 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.866 -15.142 14.499 1.00 0.00 H new ATOM 821 N LEU A 59 11.962 -12.723 13.962 1.00 0.00 N ATOM 822 CA LEU A 59 13.129 -12.023 14.490 1.00 0.00 C ATOM 823 C LEU A 59 12.770 -10.598 14.898 1.00 0.00 C ATOM 824 O LEU A 59 11.651 -10.141 14.671 1.00 0.00 O ATOM 825 CB LEU A 59 14.249 -12.001 13.449 1.00 0.00 C ATOM 826 CG LEU A 59 15.093 -13.272 13.344 1.00 0.00 C ATOM 827 CD1 LEU A 59 14.683 -14.086 12.126 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.573 -12.926 13.283 1.00 0.00 C ATOM 0 H LEU A 59 11.439 -12.200 13.260 1.00 0.00 H new ATOM 0 HA LEU A 59 13.474 -12.558 15.374 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.807 -11.801 12.473 1.00 0.00 H new ATOM 0 HB3 LEU A 59 14.912 -11.166 13.676 1.00 0.00 H new ATOM 0 HG LEU A 59 14.918 -13.876 14.235 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.294 -14.987 12.068 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.633 -14.365 12.212 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.828 -13.490 11.225 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.158 -13.843 13.209 1.00 0.00 H new ATOM 0 HD22 LEU A 59 16.765 -12.301 12.411 1.00 0.00 H new ATOM 0 HD23 LEU A 59 16.858 -12.386 14.186 1.00 0.00 H new ATOM 840 N GLN A 60 13.729 -9.902 15.500 1.00 0.00 N ATOM 841 CA GLN A 60 13.514 -8.528 15.938 1.00 0.00 C ATOM 842 C GLN A 60 14.283 -7.549 15.057 1.00 0.00 C ATOM 843 O GLN A 60 15.401 -7.832 14.625 1.00 0.00 O ATOM 844 CB GLN A 60 13.942 -8.363 17.397 1.00 0.00 C ATOM 845 CG GLN A 60 15.444 -8.217 17.578 1.00 0.00 C ATOM 846 CD GLN A 60 15.958 -8.948 18.804 1.00 0.00 C ATOM 847 OE1 GLN A 60 15.979 -8.398 19.905 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.376 -10.194 18.618 1.00 0.00 N ATOM 0 H GLN A 60 14.661 -10.267 15.695 1.00 0.00 H new ATOM 0 HA GLN A 60 12.450 -8.308 15.851 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.447 -7.486 17.815 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.598 -9.226 17.968 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.952 -8.599 16.692 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.695 -7.159 17.658 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.340 -10.610 17.687 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.733 -10.735 19.406 1.00 0.00 H new ATOM 857 N VAL A 61 13.676 -6.396 14.792 1.00 0.00 N ATOM 858 CA VAL A 61 14.304 -5.374 13.963 1.00 0.00 C ATOM 859 C VAL A 61 14.316 -4.023 14.670 1.00 0.00 C ATOM 860 O VAL A 61 13.288 -3.560 15.165 1.00 0.00 O ATOM 861 CB VAL A 61 13.582 -5.228 12.610 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.438 -4.441 11.630 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.228 -6.595 12.045 1.00 0.00 C ATOM 0 H VAL A 61 12.750 -6.147 15.140 1.00 0.00 H new ATOM 0 HA VAL A 61 15.330 -5.696 13.786 1.00 0.00 H new ATOM 0 HB VAL A 61 12.656 -4.676 12.770 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.912 -4.348 10.680 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.635 -3.448 12.034 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.382 -4.962 11.472 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.719 -6.473 11.089 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.139 -7.175 11.899 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.572 -7.118 12.741 1.00 0.00 H new ATOM 873 N LYS A 62 15.485 -3.394 14.712 1.00 0.00 N ATOM 874 CA LYS A 62 15.632 -2.095 15.357 1.00 0.00 C ATOM 875 C LYS A 62 16.553 -1.187 14.547 1.00 0.00 C ATOM 876 O LYS A 62 17.561 -1.623 13.990 1.00 0.00 O ATOM 877 CB LYS A 62 16.184 -2.265 16.774 1.00 0.00 C ATOM 878 CG LYS A 62 17.304 -3.286 16.873 1.00 0.00 C ATOM 879 CD LYS A 62 16.825 -4.579 17.510 1.00 0.00 C ATOM 880 CE LYS A 62 16.462 -4.379 18.974 1.00 0.00 C ATOM 881 NZ LYS A 62 15.195 -5.075 19.332 1.00 0.00 N ATOM 0 H LYS A 62 16.345 -3.763 14.307 1.00 0.00 H new ATOM 0 HA LYS A 62 14.647 -1.631 15.411 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.549 -1.302 17.130 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.372 -2.563 17.438 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.697 -3.494 15.878 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.124 -2.872 17.460 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.957 -4.954 16.967 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.604 -5.337 17.428 1.00 0.00 H new ATOM 0 HE2 LYS A 62 17.271 -4.751 19.603 1.00 0.00 H new ATOM 0 HE3 LYS A 62 16.362 -3.314 19.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.795 -4.647 20.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.515 -4.982 18.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.389 -6.082 19.504 1.00 0.00 H new ATOM 895 N PRO A 63 16.202 0.105 14.480 1.00 0.00 N ATOM 896 CA PRO A 63 16.985 1.101 13.743 1.00 0.00 C ATOM 897 C PRO A 63 18.323 1.398 14.412 1.00 0.00 C ATOM 898 O PRO A 63 18.517 1.105 15.593 1.00 0.00 O ATOM 899 CB PRO A 63 16.090 2.343 13.764 1.00 0.00 C ATOM 900 CG PRO A 63 15.237 2.174 14.973 1.00 0.00 C ATOM 901 CD PRO A 63 15.014 0.695 15.120 1.00 0.00 C ATOM 0 HA PRO A 63 17.239 0.758 12.740 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.682 3.257 13.821 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.486 2.411 12.859 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.727 2.584 15.856 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.290 2.702 14.859 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.935 0.403 16.167 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.094 0.377 14.630 1.00 0.00 H new ATOM 909 N LEU A 64 19.243 1.982 13.652 1.00 0.00 N ATOM 910 CA LEU A 64 20.563 2.319 14.172 1.00 0.00 C ATOM 911 C LEU A 64 20.909 3.775 13.877 1.00 0.00 C ATOM 912 O LEU A 64 21.434 4.485 14.733 1.00 0.00 O ATOM 913 CB LEU A 64 21.623 1.398 13.564 1.00 0.00 C ATOM 914 CG LEU A 64 21.127 0.040 13.067 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.149 -0.594 12.136 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.828 -0.881 14.240 1.00 0.00 C ATOM 0 H LEU A 64 19.099 2.232 12.674 1.00 0.00 H new ATOM 0 HA LEU A 64 20.547 2.180 15.253 1.00 0.00 H new ATOM 0 HB2 LEU A 64 22.092 1.919 12.729 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.399 1.228 14.310 1.00 0.00 H new ATOM 0 HG LEU A 64 20.204 0.195 12.508 1.00 0.00 H new ATOM 0 HD11 LEU A 64 21.778 -1.560 11.793 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.313 0.058 11.278 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.089 -0.735 12.669 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.476 -1.843 13.867 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.735 -1.029 14.827 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.059 -0.432 14.868 1.00 0.00 H new ATOM 928 N GLY A 65 20.608 4.215 12.658 1.00 0.00 N ATOM 929 CA GLY A 65 20.892 5.585 12.273 1.00 0.00 C ATOM 930 C GLY A 65 20.711 5.818 10.786 1.00 0.00 C ATOM 931 O GLY A 65 21.237 5.067 9.965 1.00 0.00 O ATOM 0 H GLY A 65 20.173 3.647 11.931 1.00 0.00 H new ATOM 0 HA2 GLY A 65 20.236 6.258 12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 65 21.915 5.834 12.555 1.00 0.00 H new ATOM 935 N ASN A 66 19.964 6.860 10.438 1.00 0.00 N ATOM 936 CA ASN A 66 19.714 7.189 9.039 1.00 0.00 C ATOM 937 C ASN A 66 18.868 6.110 8.370 1.00 0.00 C ATOM 938 O ASN A 66 19.315 5.446 7.436 1.00 0.00 O ATOM 939 CB ASN A 66 21.037 7.354 8.288 1.00 0.00 C ATOM 940 CG ASN A 66 20.832 7.737 6.835 1.00 0.00 C ATOM 941 OD1 ASN A 66 21.494 7.207 5.943 1.00 0.00 O ATOM 942 ND2 ASN A 66 19.913 8.664 6.592 1.00 0.00 N ATOM 0 H ASN A 66 19.521 7.492 11.105 1.00 0.00 H new ATOM 0 HA ASN A 66 19.165 8.130 9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.639 8.117 8.781 1.00 0.00 H new ATOM 0 HB3 ASN A 66 21.600 6.422 8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 66 19.732 8.964 5.634 1.00 0.00 H new ATOM 0 HD22 ASN A 66 19.388 9.076 7.363 1.00 0.00 H new ATOM 949 N ASN A 67 17.642 5.941 8.856 1.00 0.00 N ATOM 950 CA ASN A 67 16.733 4.943 8.305 1.00 0.00 C ATOM 951 C ASN A 67 17.439 3.602 8.127 1.00 0.00 C ATOM 952 O ASN A 67 17.117 2.835 7.220 1.00 0.00 O ATOM 953 CB ASN A 67 16.172 5.419 6.963 1.00 0.00 C ATOM 954 CG ASN A 67 14.657 5.376 6.921 1.00 0.00 C ATOM 955 OD1 ASN A 67 14.009 6.332 6.494 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.084 4.264 7.367 1.00 0.00 N ATOM 0 H ASN A 67 17.256 6.482 9.630 1.00 0.00 H new ATOM 0 HA ASN A 67 15.911 4.810 9.008 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.509 6.438 6.772 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.573 4.796 6.163 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.068 4.178 7.365 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.660 3.496 7.712 1.00 0.00 H new ATOM 963 N SER A 68 18.404 3.328 8.999 1.00 0.00 N ATOM 964 CA SER A 68 19.158 2.082 8.937 1.00 0.00 C ATOM 965 C SER A 68 18.650 1.086 9.975 1.00 0.00 C ATOM 966 O SER A 68 18.781 1.307 11.179 1.00 0.00 O ATOM 967 CB SER A 68 20.648 2.351 9.159 1.00 0.00 C ATOM 968 OG SER A 68 21.402 1.155 9.069 1.00 0.00 O ATOM 0 H SER A 68 18.682 3.952 9.756 1.00 0.00 H new ATOM 0 HA SER A 68 19.017 1.651 7.946 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.006 3.066 8.418 1.00 0.00 H new ATOM 0 HB3 SER A 68 20.797 2.805 10.139 1.00 0.00 H new ATOM 0 HG SER A 68 22.351 1.355 9.213 1.00 0.00 H new ATOM 974 N TRP A 69 18.069 -0.010 9.500 1.00 0.00 N ATOM 975 CA TRP A 69 17.540 -1.040 10.386 1.00 0.00 C ATOM 976 C TRP A 69 18.407 -2.293 10.342 1.00 0.00 C ATOM 977 O TRP A 69 19.120 -2.534 9.368 1.00 0.00 O ATOM 978 CB TRP A 69 16.102 -1.386 9.999 1.00 0.00 C ATOM 979 CG TRP A 69 15.168 -0.216 10.078 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.286 0.973 9.417 1.00 0.00 C ATOM 981 CD2 TRP A 69 13.975 -0.124 10.864 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.238 1.799 9.745 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.419 1.149 10.631 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.320 -0.994 11.741 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.242 1.571 11.243 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.153 -0.574 12.348 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.623 0.699 12.097 1.00 0.00 C ATOM 0 H TRP A 69 17.952 -0.208 8.506 1.00 0.00 H new ATOM 0 HA TRP A 69 17.550 -0.649 11.403 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.092 -1.782 8.984 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.738 -2.178 10.654 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.085 1.227 8.737 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.093 2.743 9.387 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.720 -1.977 11.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.832 2.551 11.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.640 -1.238 13.028 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.708 0.998 12.587 1.00 0.00 H new ATOM 998 N THR A 70 18.342 -3.091 11.404 1.00 0.00 N ATOM 999 CA THR A 70 19.121 -4.319 11.487 1.00 0.00 C ATOM 1000 C THR A 70 18.279 -5.470 12.026 1.00 0.00 C ATOM 1001 O THR A 70 17.355 -5.261 12.813 1.00 0.00 O ATOM 1002 CB THR A 70 20.360 -4.140 12.385 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.209 -5.288 12.284 1.00 0.00 O ATOM 1004 CG2 THR A 70 19.951 -3.931 13.835 1.00 0.00 C ATOM 0 H THR A 70 17.757 -2.908 12.219 1.00 0.00 H new ATOM 0 HA THR A 70 19.447 -4.554 10.474 1.00 0.00 H new ATOM 0 HB THR A 70 20.903 -3.257 12.046 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.296 -5.549 11.343 1.00 0.00 H new ATOM 0 HG21 THR A 70 20.842 -3.807 14.450 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.329 -3.039 13.913 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.388 -4.797 14.183 1.00 0.00 H new ATOM 1012 N LEU A 71 18.604 -6.685 11.599 1.00 0.00 N ATOM 1013 CA LEU A 71 17.878 -7.871 12.041 1.00 0.00 C ATOM 1014 C LEU A 71 18.663 -8.625 13.109 1.00 0.00 C ATOM 1015 O LEU A 71 19.815 -9.003 12.895 1.00 0.00 O ATOM 1016 CB LEU A 71 17.596 -8.792 10.853 1.00 0.00 C ATOM 1017 CG LEU A 71 16.180 -8.735 10.280 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.166 -9.199 11.315 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.853 -7.327 9.805 1.00 0.00 C ATOM 0 H LEU A 71 19.365 -6.875 10.947 1.00 0.00 H new ATOM 0 HA LEU A 71 16.932 -7.547 12.474 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.299 -8.549 10.056 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.802 -9.818 11.158 1.00 0.00 H new ATOM 0 HG LEU A 71 16.128 -9.407 9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.164 -9.152 10.889 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.388 -10.225 11.607 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.219 -8.553 12.191 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.841 -7.305 9.400 1.00 0.00 H new ATOM 0 HD22 LEU A 71 15.923 -6.635 10.644 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.560 -7.031 9.030 1.00 0.00 H new ATOM 1031 N GLU A 72 18.032 -8.841 14.259 1.00 0.00 N ATOM 1032 CA GLU A 72 18.672 -9.551 15.359 1.00 0.00 C ATOM 1033 C GLU A 72 17.832 -10.748 15.797 1.00 0.00 C ATOM 1034 O GLU A 72 16.610 -10.668 15.921 1.00 0.00 O ATOM 1035 CB GLU A 72 18.894 -8.609 16.544 1.00 0.00 C ATOM 1036 CG GLU A 72 19.564 -9.274 17.734 1.00 0.00 C ATOM 1037 CD GLU A 72 21.077 -9.184 17.676 1.00 0.00 C ATOM 1038 OE1 GLU A 72 21.615 -8.932 16.578 1.00 0.00 O ATOM 1039 OE2 GLU A 72 21.722 -9.366 18.730 1.00 0.00 O ATOM 0 H GLU A 72 17.079 -8.534 14.453 1.00 0.00 H new ATOM 0 HA GLU A 72 19.638 -9.916 15.008 1.00 0.00 H new ATOM 0 HB2 GLU A 72 19.504 -7.767 16.218 1.00 0.00 H new ATOM 0 HB3 GLU A 72 17.933 -8.203 16.859 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.211 -8.807 18.653 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.267 -10.322 17.775 1.00 0.00 H new