USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 510 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 69 THR OG1 : rot -91:sc= 1.09 USER MOD Set 1.2: A 70 SER OG : rot 66:sc= 0.0133 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 16 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 18 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.89) USER MOD Single : A 21 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 22 THR OG1 : rot -82:sc= 1.14 USER MOD Single : A 23 THR OG1 : rot 87:sc= 1.22 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -110:sc= 1.13 USER MOD Single : A 26 ASN : amide:sc= -6.99! C(o=-7!,f=-10!) USER MOD Single : A 28 THR OG1 : rot -6:sc= -1.34! USER MOD Single : A 33 GLN : amide:sc= -1.19 X(o=-1.2,f=-1.2) USER MOD Single : A 35 SER OG : rot -35:sc= 0.467 USER MOD Single : A 36 HIS : no HD1:sc= -0.0801 X(o=-0.08,f=-0.0073) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00104 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.872 K(o=0.87,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 66 TYR OH : rot 30:sc= -0.614 USER MOD Single : A 74 THR OG1 : rot -36:sc= 0.881 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 10.998 3.638 5.567 1.00 0.00 N ATOM 2 CA GLY A 10 10.086 4.758 5.737 1.00 0.00 C ATOM 3 C GLY A 10 9.138 4.956 4.567 1.00 0.00 C ATOM 4 O GLY A 10 8.270 4.115 4.326 1.00 0.00 O ATOM 0 HA2 GLY A 10 9.502 4.605 6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.666 5.669 5.881 1.00 0.00 H new ATOM 8 N PRO A 11 9.263 6.076 3.835 1.00 0.00 N ATOM 9 CA PRO A 11 8.420 6.365 2.678 1.00 0.00 C ATOM 10 C PRO A 11 8.775 5.485 1.484 1.00 0.00 C ATOM 11 O PRO A 11 9.838 4.865 1.451 1.00 0.00 O ATOM 12 CB PRO A 11 8.711 7.837 2.354 1.00 0.00 C ATOM 13 CG PRO A 11 9.548 8.347 3.481 1.00 0.00 C ATOM 14 CD PRO A 11 10.238 7.148 4.067 1.00 0.00 C ATOM 0 HA PRO A 11 7.369 6.171 2.890 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.236 7.931 1.404 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.786 8.407 2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.274 9.079 3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.932 8.846 4.229 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.189 6.946 3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.451 7.280 5.128 1.00 0.00 H new ATOM 22 N PHE A 12 7.895 5.445 0.497 1.00 0.00 N ATOM 23 CA PHE A 12 8.100 4.582 -0.660 1.00 0.00 C ATOM 24 C PHE A 12 7.862 5.314 -1.962 1.00 0.00 C ATOM 25 O PHE A 12 7.344 6.433 -1.992 1.00 0.00 O ATOM 26 CB PHE A 12 7.198 3.346 -0.591 1.00 0.00 C ATOM 27 CG PHE A 12 5.721 3.648 -0.544 1.00 0.00 C ATOM 28 CD1 PHE A 12 5.117 4.041 0.637 1.00 0.00 C ATOM 29 CD2 PHE A 12 4.937 3.520 -1.680 1.00 0.00 C ATOM 30 CE1 PHE A 12 3.764 4.301 0.687 1.00 0.00 C ATOM 31 CE2 PHE A 12 3.581 3.784 -1.634 1.00 0.00 C ATOM 32 CZ PHE A 12 2.994 4.173 -0.449 1.00 0.00 C ATOM 0 H PHE A 12 7.037 5.995 0.471 1.00 0.00 H new ATOM 0 HA PHE A 12 9.143 4.266 -0.634 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.399 2.717 -1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.465 2.766 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.713 4.145 1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 12 5.390 3.211 -2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.307 4.605 1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.981 3.685 -2.527 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.934 4.377 -0.411 1.00 0.00 H new ATOM 42 N THR A 13 8.239 4.652 -3.036 1.00 0.00 N ATOM 43 CA THR A 13 8.158 5.213 -4.362 1.00 0.00 C ATOM 44 C THR A 13 7.112 4.459 -5.188 1.00 0.00 C ATOM 45 O THR A 13 6.667 3.385 -4.785 1.00 0.00 O ATOM 46 CB THR A 13 9.537 5.125 -5.029 1.00 0.00 C ATOM 47 OG1 THR A 13 10.553 5.322 -4.036 1.00 0.00 O ATOM 48 CG2 THR A 13 9.682 6.182 -6.094 1.00 0.00 C ATOM 0 H THR A 13 8.612 3.703 -3.010 1.00 0.00 H new ATOM 0 HA THR A 13 7.855 6.258 -4.301 1.00 0.00 H new ATOM 0 HB THR A 13 9.640 4.143 -5.490 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.437 5.265 -4.456 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.667 6.102 -6.554 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.914 6.041 -6.854 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.571 7.169 -5.645 1.00 0.00 H new ATOM 56 N ARG A 14 6.724 5.015 -6.335 1.00 0.00 N ATOM 57 CA ARG A 14 5.663 4.430 -7.152 1.00 0.00 C ATOM 58 C ARG A 14 6.055 3.041 -7.637 1.00 0.00 C ATOM 59 O ARG A 14 5.268 2.097 -7.544 1.00 0.00 O ATOM 60 CB ARG A 14 5.345 5.325 -8.347 1.00 0.00 C ATOM 61 CG ARG A 14 3.966 5.066 -8.936 1.00 0.00 C ATOM 62 CD ARG A 14 3.637 6.043 -10.048 1.00 0.00 C ATOM 63 NE ARG A 14 2.349 5.741 -10.673 1.00 0.00 N ATOM 64 CZ ARG A 14 2.218 5.159 -11.866 1.00 0.00 C ATOM 65 NH1 ARG A 14 3.288 4.892 -12.605 1.00 0.00 N ATOM 66 NH2 ARG A 14 1.012 4.871 -12.329 1.00 0.00 N ATOM 0 H ARG A 14 7.128 5.869 -6.719 1.00 0.00 H new ATOM 0 HA ARG A 14 4.773 4.345 -6.529 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.412 6.369 -8.040 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.098 5.171 -9.120 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.921 4.047 -9.322 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.215 5.143 -8.150 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.618 7.057 -9.647 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.423 6.013 -10.803 1.00 0.00 H new ATOM 0 HE ARG A 14 1.500 5.991 -10.166 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.218 5.132 -12.261 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.180 4.447 -13.516 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.186 5.094 -11.774 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.909 4.426 -13.241 1.00 0.00 H new ATOM 80 N ARG A 15 7.270 2.927 -8.160 1.00 0.00 N ATOM 81 CA ARG A 15 7.823 1.635 -8.563 1.00 0.00 C ATOM 82 C ARG A 15 7.740 0.632 -7.413 1.00 0.00 C ATOM 83 O ARG A 15 7.304 -0.505 -7.595 1.00 0.00 O ATOM 84 CB ARG A 15 9.284 1.783 -9.004 1.00 0.00 C ATOM 85 CG ARG A 15 9.948 0.457 -9.345 1.00 0.00 C ATOM 86 CD ARG A 15 11.439 0.612 -9.594 1.00 0.00 C ATOM 87 NE ARG A 15 11.720 1.434 -10.766 1.00 0.00 N ATOM 88 CZ ARG A 15 12.251 0.960 -11.888 1.00 0.00 C ATOM 89 NH1 ARG A 15 12.548 -0.329 -11.994 1.00 0.00 N ATOM 90 NH2 ARG A 15 12.489 1.773 -12.904 1.00 0.00 N ATOM 0 H ARG A 15 7.896 3.717 -8.316 1.00 0.00 H new ATOM 0 HA ARG A 15 7.233 1.268 -9.403 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.329 2.438 -9.874 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.849 2.270 -8.209 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.788 -0.248 -8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.475 0.032 -10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.907 1.060 -8.718 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.888 -0.372 -9.727 1.00 0.00 H new ATOM 0 HE ARG A 15 11.496 2.428 -10.722 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.369 -0.960 -11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.955 -0.689 -12.857 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.265 2.765 -12.827 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.897 1.408 -13.765 1.00 0.00 H new ATOM 104 N GLN A 16 8.155 1.072 -6.231 1.00 0.00 N ATOM 105 CA GLN A 16 8.113 0.235 -5.042 1.00 0.00 C ATOM 106 C GLN A 16 6.687 -0.198 -4.741 1.00 0.00 C ATOM 107 O GLN A 16 6.428 -1.374 -4.510 1.00 0.00 O ATOM 108 CB GLN A 16 8.686 0.981 -3.840 1.00 0.00 C ATOM 109 CG GLN A 16 10.191 1.187 -3.896 1.00 0.00 C ATOM 110 CD GLN A 16 10.696 2.017 -2.736 1.00 0.00 C ATOM 111 OE1 GLN A 16 10.096 2.031 -1.667 1.00 0.00 O ATOM 112 NE2 GLN A 16 11.806 2.704 -2.934 1.00 0.00 N ATOM 0 H GLN A 16 8.526 2.009 -6.072 1.00 0.00 H new ATOM 0 HA GLN A 16 8.719 -0.650 -5.233 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.200 1.954 -3.764 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.439 0.430 -2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.689 0.218 -3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.455 1.677 -4.833 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.275 2.665 -3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.194 3.273 -2.182 1.00 0.00 H new ATOM 121 N ALA A 17 5.770 0.765 -4.764 1.00 0.00 N ATOM 122 CA ALA A 17 4.361 0.492 -4.497 1.00 0.00 C ATOM 123 C ALA A 17 3.824 -0.592 -5.427 1.00 0.00 C ATOM 124 O ALA A 17 3.193 -1.553 -4.979 1.00 0.00 O ATOM 125 CB ALA A 17 3.543 1.765 -4.649 1.00 0.00 C ATOM 0 H ALA A 17 5.978 1.743 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 17 4.274 0.132 -3.472 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.494 1.549 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.902 2.514 -3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.647 2.145 -5.665 1.00 0.00 H new ATOM 131 N GLN A 18 4.103 -0.448 -6.716 1.00 0.00 N ATOM 132 CA GLN A 18 3.644 -1.400 -7.718 1.00 0.00 C ATOM 133 C GLN A 18 4.161 -2.810 -7.444 1.00 0.00 C ATOM 134 O GLN A 18 3.450 -3.787 -7.667 1.00 0.00 O ATOM 135 CB GLN A 18 4.078 -0.946 -9.109 1.00 0.00 C ATOM 136 CG GLN A 18 3.161 0.103 -9.719 1.00 0.00 C ATOM 137 CD GLN A 18 1.773 -0.442 -10.011 1.00 0.00 C ATOM 138 OE1 GLN A 18 1.605 -1.624 -10.309 1.00 0.00 O ATOM 139 NE2 GLN A 18 0.769 0.416 -9.929 1.00 0.00 N ATOM 0 H GLN A 18 4.650 0.326 -7.094 1.00 0.00 H new ATOM 0 HA GLN A 18 2.556 -1.432 -7.667 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.089 -0.544 -9.052 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.116 -1.812 -9.770 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.080 0.951 -9.039 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.604 0.476 -10.642 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.948 1.388 -9.679 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.184 0.105 -10.116 1.00 0.00 H new ATOM 148 N ALA A 19 5.384 -2.913 -6.945 1.00 0.00 N ATOM 149 CA ALA A 19 5.999 -4.211 -6.678 1.00 0.00 C ATOM 150 C ALA A 19 5.299 -4.934 -5.529 1.00 0.00 C ATOM 151 O ALA A 19 5.206 -6.167 -5.514 1.00 0.00 O ATOM 152 CB ALA A 19 7.480 -4.040 -6.373 1.00 0.00 C ATOM 0 H ALA A 19 5.974 -2.113 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 19 5.890 -4.824 -7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.926 -5.015 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.977 -3.580 -7.227 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.600 -3.403 -5.497 1.00 0.00 H new ATOM 158 N VAL A 20 4.739 -4.171 -4.606 1.00 0.00 N ATOM 159 CA VAL A 20 4.201 -4.748 -3.393 1.00 0.00 C ATOM 160 C VAL A 20 2.761 -5.092 -3.655 1.00 0.00 C ATOM 161 O VAL A 20 2.200 -6.017 -3.090 1.00 0.00 O ATOM 162 CB VAL A 20 4.286 -3.775 -2.197 1.00 0.00 C ATOM 163 CG1 VAL A 20 3.996 -4.501 -0.894 1.00 0.00 C ATOM 164 CG2 VAL A 20 5.651 -3.105 -2.135 1.00 0.00 C ATOM 0 H VAL A 20 4.647 -3.158 -4.675 1.00 0.00 H new ATOM 0 HA VAL A 20 4.786 -5.630 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 20 3.532 -3.001 -2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.061 -3.798 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.994 -4.928 -0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.725 -5.299 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.684 -2.425 -1.284 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.424 -3.865 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.823 -2.545 -3.054 1.00 0.00 H new ATOM 174 N THR A 21 2.196 -4.342 -4.570 1.00 0.00 N ATOM 175 CA THR A 21 0.821 -4.502 -4.953 1.00 0.00 C ATOM 176 C THR A 21 0.665 -5.608 -5.994 1.00 0.00 C ATOM 177 O THR A 21 -0.385 -6.240 -6.087 1.00 0.00 O ATOM 178 CB THR A 21 0.290 -3.178 -5.504 1.00 0.00 C ATOM 179 OG1 THR A 21 0.634 -2.108 -4.613 1.00 0.00 O ATOM 180 CG2 THR A 21 -1.199 -3.241 -5.647 1.00 0.00 C ATOM 0 H THR A 21 2.684 -3.599 -5.071 1.00 0.00 H new ATOM 0 HA THR A 21 0.245 -4.789 -4.073 1.00 0.00 H new ATOM 0 HB THR A 21 0.739 -3.000 -6.481 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.572 -1.859 -4.748 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.567 -2.293 -6.040 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.465 -4.046 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.650 -3.430 -4.673 1.00 0.00 H new ATOM 188 N THR A 22 1.709 -5.843 -6.777 1.00 0.00 N ATOM 189 CA THR A 22 1.721 -6.985 -7.670 1.00 0.00 C ATOM 190 C THR A 22 1.921 -8.260 -6.863 1.00 0.00 C ATOM 191 O THR A 22 1.439 -9.328 -7.236 1.00 0.00 O ATOM 192 CB THR A 22 2.808 -6.864 -8.755 1.00 0.00 C ATOM 193 OG1 THR A 22 4.020 -6.354 -8.185 1.00 0.00 O ATOM 194 CG2 THR A 22 2.350 -5.952 -9.883 1.00 0.00 C ATOM 0 H THR A 22 2.548 -5.264 -6.810 1.00 0.00 H new ATOM 0 HA THR A 22 0.760 -7.018 -8.183 1.00 0.00 H new ATOM 0 HB THR A 22 2.990 -7.858 -9.164 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.967 -5.377 -8.125 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.135 -5.883 -10.636 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.447 -6.360 -10.336 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.140 -4.959 -9.486 1.00 0.00 H new ATOM 202 N THR A 23 2.641 -8.138 -5.751 1.00 0.00 N ATOM 203 CA THR A 23 2.791 -9.247 -4.824 1.00 0.00 C ATOM 204 C THR A 23 1.530 -9.432 -3.968 1.00 0.00 C ATOM 205 O THR A 23 1.052 -10.552 -3.806 1.00 0.00 O ATOM 206 CB THR A 23 4.017 -9.048 -3.920 1.00 0.00 C ATOM 207 OG1 THR A 23 5.180 -8.813 -4.729 1.00 0.00 O ATOM 208 CG2 THR A 23 4.250 -10.272 -3.047 1.00 0.00 C ATOM 0 H THR A 23 3.126 -7.285 -5.474 1.00 0.00 H new ATOM 0 HA THR A 23 2.939 -10.149 -5.418 1.00 0.00 H new ATOM 0 HB THR A 23 3.833 -8.189 -3.275 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.248 -7.857 -4.934 1.00 0.00 H new ATOM 0 HG21 THR A 23 5.123 -10.108 -2.416 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.375 -10.443 -2.419 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.419 -11.143 -3.680 1.00 0.00 H new ATOM 216 N TYR A 24 0.999 -8.347 -3.407 1.00 0.00 N ATOM 217 CA TYR A 24 -0.216 -8.423 -2.627 1.00 0.00 C ATOM 218 C TYR A 24 -1.322 -7.648 -3.336 1.00 0.00 C ATOM 219 O TYR A 24 -1.410 -6.428 -3.217 1.00 0.00 O ATOM 220 CB TYR A 24 0.021 -7.837 -1.231 1.00 0.00 C ATOM 221 CG TYR A 24 1.242 -8.377 -0.520 1.00 0.00 C ATOM 222 CD1 TYR A 24 1.191 -9.532 0.248 1.00 0.00 C ATOM 223 CD2 TYR A 24 2.457 -7.709 -0.620 1.00 0.00 C ATOM 224 CE1 TYR A 24 2.320 -10.001 0.896 1.00 0.00 C ATOM 225 CE2 TYR A 24 3.583 -8.173 0.019 1.00 0.00 C ATOM 226 CZ TYR A 24 3.512 -9.318 0.773 1.00 0.00 C ATOM 227 OH TYR A 24 4.638 -9.775 1.416 1.00 0.00 O ATOM 0 H TYR A 24 1.397 -7.411 -3.483 1.00 0.00 H new ATOM 0 HA TYR A 24 -0.515 -9.466 -2.524 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.116 -6.755 -1.317 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.857 -8.032 -0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.260 -10.071 0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.518 -6.807 -1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.268 -10.898 1.495 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.518 -7.640 -0.072 1.00 0.00 H new ATOM 0 HH TYR A 24 5.390 -9.178 1.223 1.00 0.00 H new ATOM 237 N SER A 25 -2.146 -8.353 -4.095 1.00 0.00 N ATOM 238 CA SER A 25 -3.239 -7.737 -4.835 1.00 0.00 C ATOM 239 C SER A 25 -4.289 -7.129 -3.902 1.00 0.00 C ATOM 240 O SER A 25 -5.212 -6.446 -4.354 1.00 0.00 O ATOM 241 CB SER A 25 -3.884 -8.774 -5.753 1.00 0.00 C ATOM 242 OG SER A 25 -4.269 -9.932 -5.031 1.00 0.00 O ATOM 0 H SER A 25 -2.078 -9.363 -4.216 1.00 0.00 H new ATOM 0 HA SER A 25 -2.826 -6.924 -5.432 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.757 -8.339 -6.240 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.184 -9.050 -6.542 1.00 0.00 H new ATOM 0 HG SER A 25 -3.687 -10.680 -5.279 1.00 0.00 H new ATOM 248 N ASN A 26 -4.146 -7.379 -2.604 1.00 0.00 N ATOM 249 CA ASN A 26 -5.042 -6.809 -1.603 1.00 0.00 C ATOM 250 C ASN A 26 -4.662 -5.359 -1.321 1.00 0.00 C ATOM 251 O ASN A 26 -5.398 -4.628 -0.657 1.00 0.00 O ATOM 252 CB ASN A 26 -4.996 -7.624 -0.307 1.00 0.00 C ATOM 253 CG ASN A 26 -3.671 -7.492 0.421 1.00 0.00 C ATOM 254 OD1 ASN A 26 -2.695 -8.159 0.084 1.00 0.00 O ATOM 255 ND2 ASN A 26 -3.644 -6.672 1.458 1.00 0.00 N ATOM 0 H ASN A 26 -3.414 -7.976 -2.219 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.058 -6.841 -1.996 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.802 -7.298 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.177 -8.674 -0.536 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.792 -6.576 2.010 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.475 -6.135 1.706 1.00 0.00 H new ATOM 262 N ILE A 27 -3.500 -4.953 -1.814 1.00 0.00 N ATOM 263 CA ILE A 27 -3.084 -3.566 -1.721 1.00 0.00 C ATOM 264 C ILE A 27 -3.724 -2.796 -2.866 1.00 0.00 C ATOM 265 O ILE A 27 -3.922 -3.349 -3.945 1.00 0.00 O ATOM 266 CB ILE A 27 -1.549 -3.413 -1.806 1.00 0.00 C ATOM 267 CG1 ILE A 27 -0.841 -4.533 -1.044 1.00 0.00 C ATOM 268 CG2 ILE A 27 -1.123 -2.048 -1.281 1.00 0.00 C ATOM 269 CD1 ILE A 27 0.632 -4.281 -0.817 1.00 0.00 C ATOM 0 H ILE A 27 -2.832 -5.566 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.401 -3.177 -0.754 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.257 -3.488 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.330 -4.668 -0.079 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.960 -5.466 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.039 -1.955 -1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.592 -1.266 -1.878 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.433 -1.945 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.065 -5.119 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.135 -4.176 -1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.760 -3.366 -0.239 1.00 0.00 H new ATOM 281 N THR A 28 -4.063 -1.537 -2.651 1.00 0.00 N ATOM 282 CA THR A 28 -4.721 -0.765 -3.691 1.00 0.00 C ATOM 283 C THR A 28 -4.072 0.601 -3.841 1.00 0.00 C ATOM 284 O THR A 28 -4.016 1.380 -2.890 1.00 0.00 O ATOM 285 CB THR A 28 -6.238 -0.611 -3.430 1.00 0.00 C ATOM 286 OG1 THR A 28 -6.485 -0.286 -2.059 1.00 0.00 O ATOM 287 CG2 THR A 28 -6.986 -1.887 -3.793 1.00 0.00 C ATOM 0 H THR A 28 -3.897 -1.033 -1.780 1.00 0.00 H new ATOM 0 HA THR A 28 -4.602 -1.318 -4.622 1.00 0.00 H new ATOM 0 HB THR A 28 -6.600 0.201 -4.060 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.644 -0.326 -1.557 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.050 -1.752 -3.600 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.834 -2.110 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.610 -2.713 -3.190 1.00 0.00 H new ATOM 295 N LEU A 29 -3.561 0.874 -5.033 1.00 0.00 N ATOM 296 CA LEU A 29 -2.898 2.135 -5.304 1.00 0.00 C ATOM 297 C LEU A 29 -3.928 3.157 -5.766 1.00 0.00 C ATOM 298 O LEU A 29 -4.417 3.103 -6.896 1.00 0.00 O ATOM 299 CB LEU A 29 -1.798 1.936 -6.357 1.00 0.00 C ATOM 300 CG LEU A 29 -0.612 2.904 -6.264 1.00 0.00 C ATOM 301 CD1 LEU A 29 0.526 2.441 -7.157 1.00 0.00 C ATOM 302 CD2 LEU A 29 -1.024 4.312 -6.647 1.00 0.00 C ATOM 0 H LEU A 29 -3.595 0.235 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.425 2.507 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.420 0.917 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.245 2.031 -7.347 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.272 2.912 -5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.358 3.140 -7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.854 1.450 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.184 2.400 -8.191 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.163 4.976 -6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.397 4.316 -7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.809 4.657 -5.974 1.00 0.00 H new ATOM 314 N GLU A 30 -4.257 4.075 -4.878 1.00 0.00 N ATOM 315 CA GLU A 30 -5.281 5.067 -5.140 1.00 0.00 C ATOM 316 C GLU A 30 -4.660 6.457 -5.145 1.00 0.00 C ATOM 317 O GLU A 30 -3.553 6.648 -4.639 1.00 0.00 O ATOM 318 CB GLU A 30 -6.382 4.968 -4.079 1.00 0.00 C ATOM 319 CG GLU A 30 -7.792 4.893 -4.652 1.00 0.00 C ATOM 320 CD GLU A 30 -8.264 6.212 -5.233 1.00 0.00 C ATOM 321 OE1 GLU A 30 -7.904 6.531 -6.388 1.00 0.00 O ATOM 322 OE2 GLU A 30 -8.999 6.941 -4.534 1.00 0.00 O ATOM 0 H GLU A 30 -3.824 4.154 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.726 4.883 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.203 4.085 -3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.315 5.833 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.823 4.128 -5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.481 4.580 -3.868 1.00 0.00 H new ATOM 329 N ASP A 31 -5.375 7.411 -5.728 1.00 0.00 N ATOM 330 CA ASP A 31 -4.898 8.790 -5.862 1.00 0.00 C ATOM 331 C ASP A 31 -3.626 8.849 -6.692 1.00 0.00 C ATOM 332 O ASP A 31 -2.794 9.736 -6.514 1.00 0.00 O ATOM 333 CB ASP A 31 -4.680 9.447 -4.495 1.00 0.00 C ATOM 334 CG ASP A 31 -5.984 9.845 -3.837 1.00 0.00 C ATOM 335 OD1 ASP A 31 -6.893 10.326 -4.547 1.00 0.00 O ATOM 336 OD2 ASP A 31 -6.114 9.693 -2.609 1.00 0.00 O ATOM 0 H ASP A 31 -6.303 7.255 -6.123 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.674 9.352 -6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.142 8.758 -3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.051 10.329 -4.614 1.00 0.00 H new ATOM 341 N ASP A 32 -3.506 7.917 -7.623 1.00 0.00 N ATOM 342 CA ASP A 32 -2.327 7.818 -8.473 1.00 0.00 C ATOM 343 C ASP A 32 -2.314 8.924 -9.519 1.00 0.00 C ATOM 344 O ASP A 32 -2.960 8.813 -10.566 1.00 0.00 O ATOM 345 CB ASP A 32 -2.295 6.449 -9.151 1.00 0.00 C ATOM 346 CG ASP A 32 -1.092 6.248 -10.053 1.00 0.00 C ATOM 347 OD1 ASP A 32 -0.043 6.884 -9.829 1.00 0.00 O ATOM 348 OD2 ASP A 32 -1.194 5.442 -11.002 1.00 0.00 O ATOM 0 H ASP A 32 -4.217 7.211 -7.812 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.440 7.933 -7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.299 5.673 -8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.205 6.322 -9.738 1.00 0.00 H new ATOM 353 N GLN A 33 -1.607 10.003 -9.221 1.00 0.00 N ATOM 354 CA GLN A 33 -1.484 11.111 -10.155 1.00 0.00 C ATOM 355 C GLN A 33 -0.037 11.270 -10.610 1.00 0.00 C ATOM 356 O GLN A 33 0.285 12.170 -11.384 1.00 0.00 O ATOM 357 CB GLN A 33 -1.992 12.410 -9.522 1.00 0.00 C ATOM 358 CG GLN A 33 -1.134 12.914 -8.375 1.00 0.00 C ATOM 359 CD GLN A 33 -1.707 14.156 -7.720 1.00 0.00 C ATOM 360 OE1 GLN A 33 -2.473 14.071 -6.760 1.00 0.00 O ATOM 361 NE2 GLN A 33 -1.336 15.318 -8.230 1.00 0.00 N ATOM 0 H GLN A 33 -1.110 10.135 -8.340 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.098 10.891 -11.028 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.043 13.181 -10.291 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.008 12.253 -9.160 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.034 12.127 -7.628 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.132 13.132 -8.744 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.699 15.345 -9.026 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.687 16.187 -7.827 1.00 0.00 H new ATOM 370 N GLY A 34 0.829 10.384 -10.133 1.00 0.00 N ATOM 371 CA GLY A 34 2.227 10.442 -10.508 1.00 0.00 C ATOM 372 C GLY A 34 3.139 10.635 -9.314 1.00 0.00 C ATOM 373 O GLY A 34 3.649 9.666 -8.756 1.00 0.00 O ATOM 0 H GLY A 34 0.587 9.627 -9.493 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.500 9.522 -11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.378 11.260 -11.212 1.00 0.00 H new ATOM 377 N SER A 35 3.333 11.888 -8.915 1.00 0.00 N ATOM 378 CA SER A 35 4.206 12.206 -7.792 1.00 0.00 C ATOM 379 C SER A 35 3.419 12.193 -6.482 1.00 0.00 C ATOM 380 O SER A 35 3.972 12.436 -5.406 1.00 0.00 O ATOM 381 CB SER A 35 4.873 13.570 -8.005 1.00 0.00 C ATOM 382 OG SER A 35 5.853 13.818 -7.014 1.00 0.00 O ATOM 0 H SER A 35 2.897 12.699 -9.353 1.00 0.00 H new ATOM 0 HA SER A 35 4.985 11.446 -7.732 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.333 13.603 -8.992 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.118 14.356 -7.979 1.00 0.00 H new ATOM 0 HG SER A 35 5.562 13.431 -6.162 1.00 0.00 H new ATOM 388 N HIS A 36 2.124 11.930 -6.584 1.00 0.00 N ATOM 389 CA HIS A 36 1.275 11.736 -5.417 1.00 0.00 C ATOM 390 C HIS A 36 0.427 10.493 -5.607 1.00 0.00 C ATOM 391 O HIS A 36 -0.102 10.264 -6.697 1.00 0.00 O ATOM 392 CB HIS A 36 0.364 12.942 -5.168 1.00 0.00 C ATOM 393 CG HIS A 36 1.017 14.073 -4.433 1.00 0.00 C ATOM 394 ND1 HIS A 36 0.825 15.396 -4.760 1.00 0.00 N ATOM 395 CD2 HIS A 36 1.833 14.072 -3.352 1.00 0.00 C ATOM 396 CE1 HIS A 36 1.491 16.158 -3.916 1.00 0.00 C ATOM 397 NE2 HIS A 36 2.113 15.381 -3.048 1.00 0.00 N ATOM 0 H HIS A 36 1.634 11.845 -7.474 1.00 0.00 H new ATOM 0 HA HIS A 36 1.924 11.621 -4.549 1.00 0.00 H new ATOM 0 HB2 HIS A 36 0.000 13.311 -6.127 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.507 12.612 -4.602 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.196 13.202 -2.826 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.523 17.237 -3.932 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.703 15.700 -2.280 1.00 0.00 H new ATOM 406 N PHE A 37 0.339 9.683 -4.556 1.00 0.00 N ATOM 407 CA PHE A 37 -0.456 8.463 -4.572 1.00 0.00 C ATOM 408 C PHE A 37 -0.455 7.835 -3.183 1.00 0.00 C ATOM 409 O PHE A 37 0.444 8.104 -2.381 1.00 0.00 O ATOM 410 CB PHE A 37 0.098 7.468 -5.601 1.00 0.00 C ATOM 411 CG PHE A 37 1.541 7.103 -5.379 1.00 0.00 C ATOM 412 CD1 PHE A 37 2.559 7.899 -5.884 1.00 0.00 C ATOM 413 CD2 PHE A 37 1.879 5.966 -4.662 1.00 0.00 C ATOM 414 CE1 PHE A 37 3.882 7.568 -5.676 1.00 0.00 C ATOM 415 CE2 PHE A 37 3.201 5.632 -4.452 1.00 0.00 C ATOM 416 CZ PHE A 37 4.203 6.434 -4.959 1.00 0.00 C ATOM 0 H PHE A 37 0.817 9.855 -3.671 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.478 8.714 -4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.505 6.560 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.010 7.894 -6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.313 8.788 -6.446 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.099 5.335 -4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.665 8.196 -6.074 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.451 4.744 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.238 6.174 -4.795 1.00 0.00 H new ATOM 426 N ARG A 38 -1.463 7.026 -2.888 1.00 0.00 N ATOM 427 CA ARG A 38 -1.512 6.317 -1.609 1.00 0.00 C ATOM 428 C ARG A 38 -1.928 4.862 -1.792 1.00 0.00 C ATOM 429 O ARG A 38 -2.622 4.519 -2.745 1.00 0.00 O ATOM 430 CB ARG A 38 -2.473 7.012 -0.640 1.00 0.00 C ATOM 431 CG ARG A 38 -3.889 7.151 -1.170 1.00 0.00 C ATOM 432 CD ARG A 38 -4.825 7.700 -0.108 1.00 0.00 C ATOM 433 NE ARG A 38 -6.143 8.005 -0.650 1.00 0.00 N ATOM 434 CZ ARG A 38 -7.284 7.510 -0.178 1.00 0.00 C ATOM 435 NH1 ARG A 38 -7.278 6.660 0.841 1.00 0.00 N ATOM 436 NH2 ARG A 38 -8.435 7.867 -0.725 1.00 0.00 N ATOM 0 H ARG A 38 -2.252 6.843 -3.507 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.506 6.336 -1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.499 6.452 0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.084 8.003 -0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.892 7.812 -2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.250 6.180 -1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.924 6.974 0.699 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.393 8.602 0.325 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.194 8.641 -1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.394 6.382 1.268 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.157 6.285 1.197 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.447 8.521 -1.508 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.310 7.488 -0.364 1.00 0.00 H new ATOM 450 N LEU A 39 -1.495 4.006 -0.874 1.00 0.00 N ATOM 451 CA LEU A 39 -1.877 2.603 -0.904 1.00 0.00 C ATOM 452 C LEU A 39 -2.843 2.290 0.222 1.00 0.00 C ATOM 453 O LEU A 39 -2.574 2.575 1.392 1.00 0.00 O ATOM 454 CB LEU A 39 -0.664 1.680 -0.774 1.00 0.00 C ATOM 455 CG LEU A 39 0.399 1.817 -1.855 1.00 0.00 C ATOM 456 CD1 LEU A 39 1.637 1.016 -1.480 1.00 0.00 C ATOM 457 CD2 LEU A 39 -0.141 1.341 -3.188 1.00 0.00 C ATOM 0 H LEU A 39 -0.880 4.260 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.353 2.427 -1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.196 1.863 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.016 0.649 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 39 0.671 2.869 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.390 1.122 -2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.038 1.387 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.371 -0.036 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.630 1.445 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.434 0.294 -3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.008 1.941 -3.464 1.00 0.00 H new ATOM 469 N VAL A 40 -3.970 1.728 -0.144 1.00 0.00 N ATOM 470 CA VAL A 40 -4.917 1.210 0.821 1.00 0.00 C ATOM 471 C VAL A 40 -4.757 -0.303 0.924 1.00 0.00 C ATOM 472 O VAL A 40 -4.986 -1.027 -0.044 1.00 0.00 O ATOM 473 CB VAL A 40 -6.371 1.553 0.430 1.00 0.00 C ATOM 474 CG1 VAL A 40 -7.345 1.084 1.495 1.00 0.00 C ATOM 475 CG2 VAL A 40 -6.524 3.047 0.185 1.00 0.00 C ATOM 0 H VAL A 40 -4.258 1.616 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.711 1.676 1.784 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.603 1.027 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.362 1.338 1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.261 0.004 1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.113 1.573 2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.556 3.267 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.265 3.593 1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.861 3.353 -0.624 1.00 0.00 H new ATOM 485 N VAL A 41 -4.334 -0.776 2.080 1.00 0.00 N ATOM 486 CA VAL A 41 -4.163 -2.203 2.290 1.00 0.00 C ATOM 487 C VAL A 41 -5.474 -2.806 2.763 1.00 0.00 C ATOM 488 O VAL A 41 -5.969 -2.471 3.843 1.00 0.00 O ATOM 489 CB VAL A 41 -3.057 -2.510 3.321 1.00 0.00 C ATOM 490 CG1 VAL A 41 -2.744 -3.996 3.334 1.00 0.00 C ATOM 491 CG2 VAL A 41 -1.804 -1.701 3.029 1.00 0.00 C ATOM 0 H VAL A 41 -4.103 -0.196 2.887 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.862 -2.643 1.339 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.420 -2.224 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.962 -4.197 4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.642 -4.555 3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.403 -4.305 2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.039 -1.935 3.769 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.434 -1.949 2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.039 -0.638 3.074 1.00 0.00 H new ATOM 501 N ARG A 42 -6.049 -3.674 1.949 1.00 0.00 N ATOM 502 CA ARG A 42 -7.334 -4.253 2.279 1.00 0.00 C ATOM 503 C ARG A 42 -7.183 -5.658 2.829 1.00 0.00 C ATOM 504 O ARG A 42 -6.158 -6.311 2.645 1.00 0.00 O ATOM 505 CB ARG A 42 -8.262 -4.257 1.065 1.00 0.00 C ATOM 506 CG ARG A 42 -8.524 -2.871 0.500 1.00 0.00 C ATOM 507 CD ARG A 42 -9.375 -2.921 -0.757 1.00 0.00 C ATOM 508 NE ARG A 42 -10.566 -2.079 -0.642 1.00 0.00 N ATOM 509 CZ ARG A 42 -10.616 -0.791 -0.992 1.00 0.00 C ATOM 510 NH1 ARG A 42 -9.536 -0.173 -1.457 1.00 0.00 N ATOM 511 NH2 ARG A 42 -11.757 -0.117 -0.876 1.00 0.00 N ATOM 0 H ARG A 42 -5.650 -3.989 1.065 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.781 -3.631 3.055 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.826 -4.882 0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.212 -4.713 1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.024 -2.261 1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.574 -2.385 0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.781 -2.595 -1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.675 -3.951 -0.952 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.415 -2.504 -0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.657 -0.682 -1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.586 0.811 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.591 -0.584 -0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.798 0.867 -1.143 1.00 0.00 H new ATOM 525 N ASP A 43 -8.223 -6.093 3.506 1.00 0.00 N ATOM 526 CA ASP A 43 -8.273 -7.402 4.137 1.00 0.00 C ATOM 527 C ASP A 43 -8.877 -8.424 3.173 1.00 0.00 C ATOM 528 O ASP A 43 -9.272 -8.072 2.061 1.00 0.00 O ATOM 529 CB ASP A 43 -9.084 -7.277 5.449 1.00 0.00 C ATOM 530 CG ASP A 43 -9.578 -8.589 6.033 1.00 0.00 C ATOM 531 OD1 ASP A 43 -8.758 -9.501 6.256 1.00 0.00 O ATOM 532 OD2 ASP A 43 -10.798 -8.705 6.269 1.00 0.00 O ATOM 0 H ASP A 43 -9.072 -5.543 3.638 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.272 -7.756 4.382 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.465 -6.777 6.194 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.944 -6.633 5.265 1.00 0.00 H new ATOM 537 N THR A 44 -8.950 -9.672 3.606 1.00 0.00 N ATOM 538 CA THR A 44 -9.495 -10.763 2.808 1.00 0.00 C ATOM 539 C THR A 44 -10.947 -10.498 2.403 1.00 0.00 C ATOM 540 O THR A 44 -11.444 -11.063 1.426 1.00 0.00 O ATOM 541 CB THR A 44 -9.415 -12.090 3.590 1.00 0.00 C ATOM 542 OG1 THR A 44 -9.921 -11.904 4.924 1.00 0.00 O ATOM 543 CG2 THR A 44 -7.982 -12.590 3.653 1.00 0.00 C ATOM 0 H THR A 44 -8.630 -9.961 4.530 1.00 0.00 H new ATOM 0 HA THR A 44 -8.895 -10.833 1.901 1.00 0.00 H new ATOM 0 HB THR A 44 -10.022 -12.832 3.071 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.869 -12.751 5.415 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.948 -13.527 4.209 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.609 -12.754 2.642 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.360 -11.848 4.153 1.00 0.00 H new ATOM 551 N GLU A 45 -11.621 -9.638 3.159 1.00 0.00 N ATOM 552 CA GLU A 45 -13.002 -9.280 2.869 1.00 0.00 C ATOM 553 C GLU A 45 -13.059 -8.027 1.989 1.00 0.00 C ATOM 554 O GLU A 45 -14.125 -7.619 1.532 1.00 0.00 O ATOM 555 CB GLU A 45 -13.756 -9.047 4.181 1.00 0.00 C ATOM 556 CG GLU A 45 -15.251 -8.829 4.010 1.00 0.00 C ATOM 557 CD GLU A 45 -15.935 -10.006 3.349 1.00 0.00 C ATOM 558 OE1 GLU A 45 -16.121 -11.039 4.019 1.00 0.00 O ATOM 559 OE2 GLU A 45 -16.286 -9.906 2.154 1.00 0.00 O ATOM 0 H GLU A 45 -11.230 -9.175 3.980 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.475 -10.098 2.325 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.598 -9.904 4.835 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.329 -8.179 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.703 -8.651 4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.419 -7.933 3.413 1.00 0.00 H new ATOM 566 N GLY A 46 -11.903 -7.434 1.734 1.00 0.00 N ATOM 567 CA GLY A 46 -11.852 -6.203 0.963 1.00 0.00 C ATOM 568 C GLY A 46 -11.971 -4.980 1.843 1.00 0.00 C ATOM 569 O GLY A 46 -12.127 -3.859 1.358 1.00 0.00 O ATOM 0 H GLY A 46 -10.996 -7.781 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.915 -6.161 0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.657 -6.201 0.229 1.00 0.00 H new ATOM 573 N ARG A 47 -11.902 -5.205 3.145 1.00 0.00 N ATOM 574 CA ARG A 47 -11.985 -4.139 4.127 1.00 0.00 C ATOM 575 C ARG A 47 -10.720 -3.291 4.097 1.00 0.00 C ATOM 576 O ARG A 47 -9.617 -3.828 4.124 1.00 0.00 O ATOM 577 CB ARG A 47 -12.148 -4.750 5.514 1.00 0.00 C ATOM 578 CG ARG A 47 -13.371 -5.637 5.659 1.00 0.00 C ATOM 579 CD ARG A 47 -13.212 -6.595 6.826 1.00 0.00 C ATOM 580 NE ARG A 47 -12.929 -5.900 8.080 1.00 0.00 N ATOM 581 CZ ARG A 47 -11.994 -6.284 8.949 1.00 0.00 C ATOM 582 NH1 ARG A 47 -11.201 -7.313 8.666 1.00 0.00 N ATOM 583 NH2 ARG A 47 -11.845 -5.629 10.094 1.00 0.00 N ATOM 0 H ARG A 47 -11.787 -6.134 3.550 1.00 0.00 H new ATOM 0 HA ARG A 47 -12.840 -3.505 3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.258 -5.334 5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -12.205 -3.947 6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.257 -5.020 5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.527 -6.201 4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.123 -7.183 6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.405 -7.295 6.611 1.00 0.00 H new ATOM 0 HE ARG A 47 -13.480 -5.071 8.304 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.307 -7.811 7.782 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -10.486 -7.605 9.333 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.446 -4.833 10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -11.130 -5.922 10.760 1.00 0.00 H new ATOM 597 N MET A 48 -10.877 -1.980 4.033 1.00 0.00 N ATOM 598 CA MET A 48 -9.732 -1.085 4.086 1.00 0.00 C ATOM 599 C MET A 48 -9.200 -0.994 5.506 1.00 0.00 C ATOM 600 O MET A 48 -9.637 -0.165 6.308 1.00 0.00 O ATOM 601 CB MET A 48 -10.068 0.309 3.542 1.00 0.00 C ATOM 602 CG MET A 48 -11.456 0.827 3.900 1.00 0.00 C ATOM 603 SD MET A 48 -12.777 -0.002 2.986 1.00 0.00 S ATOM 604 CE MET A 48 -14.211 0.918 3.544 1.00 0.00 C ATOM 0 H MET A 48 -11.780 -1.513 3.945 1.00 0.00 H new ATOM 0 HA MET A 48 -8.957 -1.503 3.444 1.00 0.00 H new ATOM 0 HB2 MET A 48 -9.326 1.016 3.915 1.00 0.00 H new ATOM 0 HB3 MET A 48 -9.973 0.291 2.456 1.00 0.00 H new ATOM 0 HG2 MET A 48 -11.623 0.694 4.969 1.00 0.00 H new ATOM 0 HG3 MET A 48 -11.501 1.898 3.701 1.00 0.00 H new ATOM 0 HE1 MET A 48 -15.106 0.522 3.065 1.00 0.00 H new ATOM 0 HE2 MET A 48 -14.306 0.823 4.626 1.00 0.00 H new ATOM 0 HE3 MET A 48 -14.094 1.969 3.281 1.00 0.00 H new ATOM 614 N VAL A 49 -8.265 -1.876 5.812 1.00 0.00 N ATOM 615 CA VAL A 49 -7.706 -1.967 7.147 1.00 0.00 C ATOM 616 C VAL A 49 -6.745 -0.819 7.404 1.00 0.00 C ATOM 617 O VAL A 49 -6.721 -0.248 8.495 1.00 0.00 O ATOM 618 CB VAL A 49 -6.969 -3.308 7.353 1.00 0.00 C ATOM 619 CG1 VAL A 49 -6.531 -3.475 8.797 1.00 0.00 C ATOM 620 CG2 VAL A 49 -7.842 -4.475 6.922 1.00 0.00 C ATOM 0 H VAL A 49 -7.875 -2.544 5.147 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.534 -1.910 7.853 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.076 -3.297 6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.015 -4.428 8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.858 -2.662 9.069 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.406 -3.455 9.447 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.302 -5.409 7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.757 -4.483 7.514 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.093 -4.371 5.866 1.00 0.00 H new ATOM 630 N TRP A 50 -5.981 -0.461 6.384 1.00 0.00 N ATOM 631 CA TRP A 50 -4.962 0.561 6.529 1.00 0.00 C ATOM 632 C TRP A 50 -4.758 1.293 5.209 1.00 0.00 C ATOM 633 O TRP A 50 -5.011 0.746 4.141 1.00 0.00 O ATOM 634 CB TRP A 50 -3.648 -0.076 7.009 1.00 0.00 C ATOM 635 CG TRP A 50 -2.504 0.891 7.124 1.00 0.00 C ATOM 636 CD1 TRP A 50 -1.426 0.978 6.294 1.00 0.00 C ATOM 637 CD2 TRP A 50 -2.333 1.915 8.114 1.00 0.00 C ATOM 638 NE1 TRP A 50 -0.593 1.989 6.706 1.00 0.00 N ATOM 639 CE2 TRP A 50 -1.125 2.579 7.822 1.00 0.00 C ATOM 640 CE3 TRP A 50 -3.079 2.335 9.221 1.00 0.00 C ATOM 641 CZ2 TRP A 50 -0.652 3.639 8.592 1.00 0.00 C ATOM 642 CZ3 TRP A 50 -2.606 3.385 9.983 1.00 0.00 C ATOM 643 CH2 TRP A 50 -1.402 4.027 9.667 1.00 0.00 C ATOM 0 H TRP A 50 -6.049 -0.863 5.449 1.00 0.00 H new ATOM 0 HA TRP A 50 -5.288 1.287 7.274 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -3.816 -0.541 7.980 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.369 -0.872 6.319 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.252 0.344 5.437 1.00 0.00 H new ATOM 0 HE1 TRP A 50 0.281 2.257 6.254 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -4.008 1.847 9.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.275 4.137 8.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -3.175 3.717 10.839 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.060 4.844 10.284 1.00 0.00 H new ATOM 654 N ARG A 51 -4.327 2.538 5.293 1.00 0.00 N ATOM 655 CA ARG A 51 -4.030 3.337 4.114 1.00 0.00 C ATOM 656 C ARG A 51 -2.933 4.336 4.443 1.00 0.00 C ATOM 657 O ARG A 51 -2.938 4.943 5.516 1.00 0.00 O ATOM 658 CB ARG A 51 -5.283 4.070 3.628 1.00 0.00 C ATOM 659 CG ARG A 51 -5.908 4.946 4.703 1.00 0.00 C ATOM 660 CD ARG A 51 -7.164 5.655 4.226 1.00 0.00 C ATOM 661 NE ARG A 51 -7.568 6.697 5.166 1.00 0.00 N ATOM 662 CZ ARG A 51 -8.720 6.701 5.837 1.00 0.00 C ATOM 663 NH1 ARG A 51 -9.609 5.730 5.651 1.00 0.00 N ATOM 664 NH2 ARG A 51 -8.980 7.681 6.690 1.00 0.00 N ATOM 0 H ARG A 51 -4.173 3.024 6.176 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.691 2.676 3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.026 4.687 2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.017 3.339 3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.150 4.332 5.571 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.179 5.688 5.030 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.987 6.095 3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.972 4.932 4.110 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.925 7.474 5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.411 4.977 4.992 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.489 5.738 6.167 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.300 8.428 6.831 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.860 7.688 7.206 1.00 0.00 H new ATOM 678 N ALA A 52 -1.986 4.492 3.537 1.00 0.00 N ATOM 679 CA ALA A 52 -0.887 5.419 3.750 1.00 0.00 C ATOM 680 C ALA A 52 -0.461 6.045 2.436 1.00 0.00 C ATOM 681 O ALA A 52 -0.548 5.410 1.381 1.00 0.00 O ATOM 682 CB ALA A 52 0.288 4.710 4.412 1.00 0.00 C ATOM 0 H ALA A 52 -1.954 3.991 2.649 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.227 6.213 4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.102 5.419 4.564 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.026 4.306 5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.630 3.897 3.772 1.00 0.00 H new ATOM 688 N TRP A 53 -0.029 7.296 2.497 1.00 0.00 N ATOM 689 CA TRP A 53 0.500 7.969 1.336 1.00 0.00 C ATOM 690 C TRP A 53 1.932 7.552 1.119 1.00 0.00 C ATOM 691 O TRP A 53 2.452 6.674 1.800 1.00 0.00 O ATOM 692 CB TRP A 53 0.454 9.484 1.505 1.00 0.00 C ATOM 693 CG TRP A 53 -0.905 10.050 1.540 1.00 0.00 C ATOM 694 CD1 TRP A 53 -1.617 10.270 2.647 1.00 0.00 C ATOM 695 CD2 TRP A 53 -1.701 10.491 0.435 1.00 0.00 C ATOM 696 NE1 TRP A 53 -2.824 10.825 2.329 1.00 0.00 N ATOM 697 CE2 TRP A 53 -2.903 10.972 0.970 1.00 0.00 C ATOM 698 CE3 TRP A 53 -1.515 10.526 -0.948 1.00 0.00 C ATOM 699 CZ2 TRP A 53 -3.923 11.483 0.173 1.00 0.00 C ATOM 700 CZ3 TRP A 53 -2.525 11.034 -1.742 1.00 0.00 C ATOM 701 CH2 TRP A 53 -3.716 11.508 -1.181 1.00 0.00 C ATOM 0 H TRP A 53 -0.038 7.862 3.346 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.114 7.691 0.479 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.970 9.751 2.428 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.006 9.946 0.686 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.287 10.042 3.650 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.549 11.088 2.996 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -0.599 10.163 -1.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.843 11.846 0.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.393 11.066 -2.813 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -4.487 11.901 -1.828 1.00 0.00 H new ATOM 712 N ASN A 54 2.571 8.229 0.206 1.00 0.00 N ATOM 713 CA ASN A 54 3.934 7.891 -0.174 1.00 0.00 C ATOM 714 C ASN A 54 4.926 8.818 0.514 1.00 0.00 C ATOM 715 O ASN A 54 6.096 8.480 0.680 1.00 0.00 O ATOM 716 CB ASN A 54 4.094 7.960 -1.698 1.00 0.00 C ATOM 717 CG ASN A 54 4.842 9.193 -2.175 1.00 0.00 C ATOM 718 OD1 ASN A 54 4.250 10.253 -2.383 1.00 0.00 O ATOM 719 ND2 ASN A 54 6.146 9.052 -2.362 1.00 0.00 N ATOM 0 H ASN A 54 2.176 9.024 -0.297 1.00 0.00 H new ATOM 0 HA ASN A 54 4.142 6.871 0.149 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.622 7.070 -2.040 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.107 7.943 -2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.702 9.841 -2.691 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.594 8.154 -2.176 1.00 0.00 H new ATOM 726 N PHE A 55 4.438 9.975 0.939 1.00 0.00 N ATOM 727 CA PHE A 55 5.294 11.005 1.508 1.00 0.00 C ATOM 728 C PHE A 55 5.231 11.008 3.033 1.00 0.00 C ATOM 729 O PHE A 55 5.713 11.939 3.674 1.00 0.00 O ATOM 730 CB PHE A 55 4.901 12.388 0.963 1.00 0.00 C ATOM 731 CG PHE A 55 3.452 12.754 1.172 1.00 0.00 C ATOM 732 CD1 PHE A 55 3.028 13.332 2.360 1.00 0.00 C ATOM 733 CD2 PHE A 55 2.514 12.526 0.172 1.00 0.00 C ATOM 734 CE1 PHE A 55 1.700 13.672 2.548 1.00 0.00 C ATOM 735 CE2 PHE A 55 1.186 12.867 0.354 1.00 0.00 C ATOM 736 CZ PHE A 55 0.780 13.439 1.543 1.00 0.00 C ATOM 0 H PHE A 55 3.450 10.224 0.900 1.00 0.00 H new ATOM 0 HA PHE A 55 6.319 10.781 1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.526 13.143 1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.120 12.420 -0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.743 13.519 3.147 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.826 12.077 -0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.383 14.119 3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.468 12.686 -0.432 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.257 13.705 1.688 1.00 0.00 H new ATOM 746 N GLU A 56 4.637 9.972 3.616 1.00 0.00 N ATOM 747 CA GLU A 56 4.540 9.881 5.065 1.00 0.00 C ATOM 748 C GLU A 56 5.848 9.360 5.655 1.00 0.00 C ATOM 749 O GLU A 56 6.429 8.408 5.131 1.00 0.00 O ATOM 750 CB GLU A 56 3.347 9.011 5.481 1.00 0.00 C ATOM 751 CG GLU A 56 2.007 9.645 5.134 1.00 0.00 C ATOM 752 CD GLU A 56 0.821 8.913 5.737 1.00 0.00 C ATOM 753 OE1 GLU A 56 0.662 8.953 6.977 1.00 0.00 O ATOM 754 OE2 GLU A 56 0.028 8.325 4.973 1.00 0.00 O ATOM 0 H GLU A 56 4.219 9.191 3.111 1.00 0.00 H new ATOM 0 HA GLU A 56 4.368 10.880 5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.422 8.040 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.391 8.830 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.001 10.678 5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.896 9.672 4.050 1.00 0.00 H new ATOM 761 N PRO A 57 6.309 10.000 6.755 1.00 0.00 N ATOM 762 CA PRO A 57 7.618 9.762 7.386 1.00 0.00 C ATOM 763 C PRO A 57 8.068 8.305 7.368 1.00 0.00 C ATOM 764 O PRO A 57 9.217 8.004 7.041 1.00 0.00 O ATOM 765 CB PRO A 57 7.412 10.232 8.833 1.00 0.00 C ATOM 766 CG PRO A 57 6.025 10.798 8.906 1.00 0.00 C ATOM 767 CD PRO A 57 5.573 11.028 7.493 1.00 0.00 C ATOM 0 HA PRO A 57 8.404 10.288 6.844 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.529 9.402 9.530 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.152 10.984 9.105 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.353 10.110 9.419 1.00 0.00 H new ATOM 0 HG3 PRO A 57 6.018 11.730 9.470 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.495 10.910 7.387 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.819 12.032 7.146 1.00 0.00 H new ATOM 775 N ASP A 58 7.176 7.407 7.742 1.00 0.00 N ATOM 776 CA ASP A 58 7.476 5.988 7.688 1.00 0.00 C ATOM 777 C ASP A 58 6.223 5.218 7.305 1.00 0.00 C ATOM 778 O ASP A 58 5.696 4.432 8.093 1.00 0.00 O ATOM 779 CB ASP A 58 8.024 5.489 9.029 1.00 0.00 C ATOM 780 CG ASP A 58 8.937 4.284 8.872 1.00 0.00 C ATOM 781 OD1 ASP A 58 8.461 3.221 8.437 1.00 0.00 O ATOM 782 OD2 ASP A 58 10.143 4.408 9.186 1.00 0.00 O ATOM 0 H ASP A 58 6.242 7.633 8.085 1.00 0.00 H new ATOM 0 HA ASP A 58 8.245 5.822 6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.572 6.295 9.517 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.192 5.228 9.683 1.00 0.00 H new ATOM 787 N ALA A 59 5.727 5.478 6.097 1.00 0.00 N ATOM 788 CA ALA A 59 4.532 4.805 5.601 1.00 0.00 C ATOM 789 C ALA A 59 4.727 3.290 5.574 1.00 0.00 C ATOM 790 O ALA A 59 3.780 2.521 5.778 1.00 0.00 O ATOM 791 CB ALA A 59 4.186 5.323 4.215 1.00 0.00 C ATOM 0 H ALA A 59 6.134 6.149 5.446 1.00 0.00 H new ATOM 0 HA ALA A 59 3.706 5.022 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.293 4.817 3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.001 6.396 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.016 5.129 3.536 1.00 0.00 H new ATOM 797 N GLY A 60 5.966 2.876 5.344 1.00 0.00 N ATOM 798 CA GLY A 60 6.293 1.469 5.260 1.00 0.00 C ATOM 799 C GLY A 60 6.016 0.707 6.536 1.00 0.00 C ATOM 800 O GLY A 60 5.628 -0.456 6.480 1.00 0.00 O ATOM 0 H GLY A 60 6.761 3.502 5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.723 1.020 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.348 1.364 5.005 1.00 0.00 H new ATOM 804 N GLU A 61 6.200 1.357 7.681 1.00 0.00 N ATOM 805 CA GLU A 61 6.011 0.699 8.969 1.00 0.00 C ATOM 806 C GLU A 61 4.597 0.134 9.074 1.00 0.00 C ATOM 807 O GLU A 61 4.413 -1.042 9.370 1.00 0.00 O ATOM 808 CB GLU A 61 6.277 1.686 10.111 1.00 0.00 C ATOM 809 CG GLU A 61 6.848 1.054 11.376 1.00 0.00 C ATOM 810 CD GLU A 61 5.913 0.063 12.043 1.00 0.00 C ATOM 811 OE1 GLU A 61 4.818 0.472 12.475 1.00 0.00 O ATOM 812 OE2 GLU A 61 6.280 -1.127 12.147 1.00 0.00 O ATOM 0 H GLU A 61 6.479 2.336 7.743 1.00 0.00 H new ATOM 0 HA GLU A 61 6.720 -0.125 9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.969 2.451 9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.344 2.191 10.362 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.781 0.548 11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.092 1.844 12.087 1.00 0.00 H new ATOM 819 N GLY A 62 3.605 0.967 8.783 1.00 0.00 N ATOM 820 CA GLY A 62 2.222 0.542 8.895 1.00 0.00 C ATOM 821 C GLY A 62 1.860 -0.512 7.869 1.00 0.00 C ATOM 822 O GLY A 62 1.193 -1.507 8.179 1.00 0.00 O ATOM 0 H GLY A 62 3.733 1.930 8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.045 0.148 9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.568 1.405 8.772 1.00 0.00 H new ATOM 826 N LEU A 63 2.310 -0.298 6.642 1.00 0.00 N ATOM 827 CA LEU A 63 2.062 -1.244 5.564 1.00 0.00 C ATOM 828 C LEU A 63 2.668 -2.602 5.901 1.00 0.00 C ATOM 829 O LEU A 63 1.964 -3.610 5.937 1.00 0.00 O ATOM 830 CB LEU A 63 2.650 -0.708 4.257 1.00 0.00 C ATOM 831 CG LEU A 63 2.137 0.670 3.826 1.00 0.00 C ATOM 832 CD1 LEU A 63 2.956 1.206 2.668 1.00 0.00 C ATOM 833 CD2 LEU A 63 0.673 0.604 3.437 1.00 0.00 C ATOM 0 H LEU A 63 2.849 0.523 6.367 1.00 0.00 H new ATOM 0 HA LEU A 63 0.986 -1.368 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.734 -0.659 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.437 -1.422 3.462 1.00 0.00 H new ATOM 0 HG LEU A 63 2.241 1.347 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.576 2.185 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.999 1.297 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.882 0.522 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.332 1.594 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.548 -0.092 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.085 0.262 4.289 1.00 0.00 H new ATOM 845 N ASN A 64 3.966 -2.613 6.188 1.00 0.00 N ATOM 846 CA ASN A 64 4.676 -3.852 6.508 1.00 0.00 C ATOM 847 C ASN A 64 4.118 -4.487 7.772 1.00 0.00 C ATOM 848 O ASN A 64 4.120 -5.710 7.909 1.00 0.00 O ATOM 849 CB ASN A 64 6.172 -3.598 6.687 1.00 0.00 C ATOM 850 CG ASN A 64 6.865 -3.196 5.403 1.00 0.00 C ATOM 851 OD1 ASN A 64 6.483 -3.614 4.308 1.00 0.00 O ATOM 852 ND2 ASN A 64 7.891 -2.374 5.534 1.00 0.00 N ATOM 0 H ASN A 64 4.551 -1.777 6.206 1.00 0.00 H new ATOM 0 HA ASN A 64 4.530 -4.535 5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.315 -2.814 7.430 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.643 -4.499 7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.402 -2.060 4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.172 -2.053 6.460 1.00 0.00 H new ATOM 859 N ARG A 65 3.639 -3.646 8.688 1.00 0.00 N ATOM 860 CA ARG A 65 3.020 -4.111 9.925 1.00 0.00 C ATOM 861 C ARG A 65 1.919 -5.113 9.602 1.00 0.00 C ATOM 862 O ARG A 65 1.825 -6.183 10.211 1.00 0.00 O ATOM 863 CB ARG A 65 2.420 -2.927 10.686 1.00 0.00 C ATOM 864 CG ARG A 65 2.309 -3.136 12.183 1.00 0.00 C ATOM 865 CD ARG A 65 3.678 -3.099 12.839 1.00 0.00 C ATOM 866 NE ARG A 65 3.598 -3.172 14.294 1.00 0.00 N ATOM 867 CZ ARG A 65 4.498 -2.634 15.111 1.00 0.00 C ATOM 868 NH1 ARG A 65 5.497 -1.903 14.623 1.00 0.00 N ATOM 869 NH2 ARG A 65 4.381 -2.800 16.419 1.00 0.00 N ATOM 0 H ARG A 65 3.669 -2.631 8.593 1.00 0.00 H new ATOM 0 HA ARG A 65 3.780 -4.589 10.543 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.031 -2.044 10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.428 -2.719 10.286 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.673 -2.364 12.616 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.830 -4.094 12.386 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.278 -3.930 12.468 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.191 -2.182 12.551 1.00 0.00 H new ATOM 0 HE ARG A 65 2.806 -3.664 14.708 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.575 -1.753 13.617 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.185 -1.493 15.255 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.602 -3.339 16.797 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.070 -2.389 17.049 1.00 0.00 H new ATOM 883 N TYR A 66 1.095 -4.757 8.625 1.00 0.00 N ATOM 884 CA TYR A 66 0.019 -5.628 8.187 1.00 0.00 C ATOM 885 C TYR A 66 0.538 -6.698 7.220 1.00 0.00 C ATOM 886 O TYR A 66 0.156 -7.862 7.313 1.00 0.00 O ATOM 887 CB TYR A 66 -1.089 -4.804 7.531 1.00 0.00 C ATOM 888 CG TYR A 66 -2.279 -5.623 7.098 1.00 0.00 C ATOM 889 CD1 TYR A 66 -3.301 -5.929 7.987 1.00 0.00 C ATOM 890 CD2 TYR A 66 -2.374 -6.100 5.802 1.00 0.00 C ATOM 891 CE1 TYR A 66 -4.388 -6.683 7.590 1.00 0.00 C ATOM 892 CE2 TYR A 66 -3.454 -6.856 5.396 1.00 0.00 C ATOM 893 CZ TYR A 66 -4.459 -7.145 6.296 1.00 0.00 C ATOM 894 OH TYR A 66 -5.538 -7.897 5.901 1.00 0.00 O ATOM 0 H TYR A 66 1.153 -3.871 8.123 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.390 -6.136 9.061 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.422 -4.037 8.231 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.680 -4.287 6.663 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.245 -5.572 9.005 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.588 -5.876 5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.178 -6.909 8.291 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.512 -7.219 4.381 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.328 -7.632 6.417 1.00 0.00 H new ATOM 904 N ILE A 67 1.416 -6.294 6.305 1.00 0.00 N ATOM 905 CA ILE A 67 1.973 -7.199 5.292 1.00 0.00 C ATOM 906 C ILE A 67 2.630 -8.426 5.920 1.00 0.00 C ATOM 907 O ILE A 67 2.372 -9.558 5.508 1.00 0.00 O ATOM 908 CB ILE A 67 3.022 -6.472 4.417 1.00 0.00 C ATOM 909 CG1 ILE A 67 2.360 -5.393 3.554 1.00 0.00 C ATOM 910 CG2 ILE A 67 3.783 -7.459 3.546 1.00 0.00 C ATOM 911 CD1 ILE A 67 3.355 -4.517 2.819 1.00 0.00 C ATOM 0 H ILE A 67 1.762 -5.337 6.241 1.00 0.00 H new ATOM 0 HA ILE A 67 1.135 -7.524 4.676 1.00 0.00 H new ATOM 0 HB ILE A 67 3.735 -5.987 5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.702 -5.871 2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.733 -4.766 4.187 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.514 -6.922 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.297 -8.182 4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.084 -7.981 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.819 -3.775 2.227 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.997 -4.011 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.966 -5.134 2.160 1.00 0.00 H new ATOM 923 N ARG A 68 3.477 -8.195 6.909 1.00 0.00 N ATOM 924 CA ARG A 68 4.223 -9.275 7.533 1.00 0.00 C ATOM 925 C ARG A 68 3.293 -10.267 8.222 1.00 0.00 C ATOM 926 O ARG A 68 3.400 -11.477 8.021 1.00 0.00 O ATOM 927 CB ARG A 68 5.224 -8.725 8.549 1.00 0.00 C ATOM 928 CG ARG A 68 5.893 -9.820 9.352 1.00 0.00 C ATOM 929 CD ARG A 68 6.804 -9.273 10.434 1.00 0.00 C ATOM 930 NE ARG A 68 7.420 -10.357 11.195 1.00 0.00 N ATOM 931 CZ ARG A 68 7.035 -10.720 12.416 1.00 0.00 C ATOM 932 NH1 ARG A 68 6.121 -10.011 13.066 1.00 0.00 N ATOM 933 NH2 ARG A 68 7.579 -11.780 12.998 1.00 0.00 N ATOM 0 H ARG A 68 3.665 -7.271 7.297 1.00 0.00 H new ATOM 0 HA ARG A 68 4.762 -9.796 6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.985 -8.144 8.027 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.711 -8.043 9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.129 -10.450 9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.471 -10.456 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.579 -8.654 9.983 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.233 -8.631 11.105 1.00 0.00 H new ATOM 0 HE ARG A 68 8.192 -10.866 10.765 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.711 -9.185 12.630 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.828 -10.292 14.002 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.294 -12.319 12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.282 -12.056 13.934 1.00 0.00 H new ATOM 947 N THR A 69 2.378 -9.746 9.020 1.00 0.00 N ATOM 948 CA THR A 69 1.531 -10.573 9.851 1.00 0.00 C ATOM 949 C THR A 69 0.379 -11.186 9.067 1.00 0.00 C ATOM 950 O THR A 69 0.056 -12.362 9.234 1.00 0.00 O ATOM 951 CB THR A 69 0.964 -9.747 11.017 1.00 0.00 C ATOM 952 OG1 THR A 69 0.324 -8.566 10.512 1.00 0.00 O ATOM 953 CG2 THR A 69 2.061 -9.356 11.994 1.00 0.00 C ATOM 0 H THR A 69 2.204 -8.745 9.108 1.00 0.00 H new ATOM 0 HA THR A 69 2.151 -11.385 10.231 1.00 0.00 H new ATOM 0 HB THR A 69 0.235 -10.361 11.546 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.974 -7.834 10.470 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.632 -8.773 12.809 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.526 -10.255 12.398 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.813 -8.759 11.477 1.00 0.00 H new ATOM 961 N SER A 70 -0.216 -10.395 8.190 1.00 0.00 N ATOM 962 CA SER A 70 -1.492 -10.760 7.585 1.00 0.00 C ATOM 963 C SER A 70 -1.464 -10.683 6.057 1.00 0.00 C ATOM 964 O SER A 70 -2.516 -10.595 5.433 1.00 0.00 O ATOM 965 CB SER A 70 -2.578 -9.829 8.122 1.00 0.00 C ATOM 966 OG SER A 70 -2.429 -9.631 9.520 1.00 0.00 O ATOM 0 H SER A 70 0.160 -9.499 7.880 1.00 0.00 H new ATOM 0 HA SER A 70 -1.700 -11.797 7.850 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.527 -8.870 7.607 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.561 -10.251 7.913 1.00 0.00 H new ATOM 0 HG SER A 70 -1.592 -9.152 9.695 1.00 0.00 H new ATOM 972 N GLY A 71 -0.269 -10.718 5.468 1.00 0.00 N ATOM 973 CA GLY A 71 -0.137 -10.673 4.015 1.00 0.00 C ATOM 974 C GLY A 71 -1.052 -11.648 3.280 1.00 0.00 C ATOM 975 O GLY A 71 -1.144 -12.825 3.636 1.00 0.00 O ATOM 0 H GLY A 71 0.616 -10.777 5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.351 -9.661 3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.897 -10.889 3.747 1.00 0.00 H new ATOM 979 N ILE A 72 -1.700 -11.146 2.237 1.00 0.00 N ATOM 980 CA ILE A 72 -2.674 -11.910 1.452 1.00 0.00 C ATOM 981 C ILE A 72 -1.958 -12.653 0.304 1.00 0.00 C ATOM 982 O ILE A 72 -2.586 -13.284 -0.537 1.00 0.00 O ATOM 983 CB ILE A 72 -3.833 -10.974 0.943 1.00 0.00 C ATOM 984 CG1 ILE A 72 -4.757 -10.564 2.103 1.00 0.00 C ATOM 985 CG2 ILE A 72 -4.681 -11.602 -0.157 1.00 0.00 C ATOM 986 CD1 ILE A 72 -4.156 -9.573 3.076 1.00 0.00 C ATOM 0 H ILE A 72 -1.567 -10.191 1.906 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.141 -12.665 2.085 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.336 -10.100 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.669 -10.136 1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.047 -11.460 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.460 -10.902 -0.460 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.050 -11.836 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.140 -12.517 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.881 -9.345 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.261 -10.002 3.526 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.893 -8.657 2.547 1.00 0.00 H new ATOM 998 N ARG A 73 -0.617 -12.599 0.337 1.00 0.00 N ATOM 999 CA ARG A 73 0.274 -13.109 -0.735 1.00 0.00 C ATOM 1000 C ARG A 73 -0.041 -14.533 -1.224 1.00 0.00 C ATOM 1001 O ARG A 73 0.587 -15.012 -2.167 1.00 0.00 O ATOM 1002 CB ARG A 73 1.717 -13.098 -0.249 1.00 0.00 C ATOM 1003 CG ARG A 73 2.048 -14.260 0.676 1.00 0.00 C ATOM 1004 CD ARG A 73 3.481 -14.204 1.176 1.00 0.00 C ATOM 1005 NE ARG A 73 3.879 -15.458 1.823 1.00 0.00 N ATOM 1006 CZ ARG A 73 5.113 -15.711 2.267 1.00 0.00 C ATOM 1007 NH1 ARG A 73 6.052 -14.775 2.215 1.00 0.00 N ATOM 1008 NH2 ARG A 73 5.404 -16.896 2.792 1.00 0.00 N ATOM 0 H ARG A 73 -0.105 -12.194 1.121 1.00 0.00 H new ATOM 0 HA ARG A 73 0.108 -12.439 -1.578 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.384 -13.127 -1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.911 -12.161 0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.367 -14.250 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.885 -15.200 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.150 -13.997 0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.588 -13.380 1.882 1.00 0.00 H new ATOM 0 HE ARG A 73 3.170 -16.182 1.941 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.834 -13.854 1.834 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.992 -14.976 2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.684 -17.616 2.857 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.347 -17.086 3.130 1.00 0.00 H new ATOM 1022 N THR A 74 -0.970 -15.218 -0.581 1.00 0.00 N ATOM 1023 CA THR A 74 -1.428 -16.512 -1.059 1.00 0.00 C ATOM 1024 C THR A 74 -2.219 -16.346 -2.364 1.00 0.00 C ATOM 1025 O THR A 74 -2.786 -17.308 -2.889 1.00 0.00 O ATOM 1026 CB THR A 74 -2.295 -17.230 -0.001 1.00 0.00 C ATOM 1027 OG1 THR A 74 -2.698 -18.516 -0.487 1.00 0.00 O ATOM 1028 CG2 THR A 74 -3.528 -16.412 0.353 1.00 0.00 C ATOM 0 H THR A 74 -1.423 -14.900 0.275 1.00 0.00 H new ATOM 0 HA THR A 74 -0.549 -17.128 -1.248 1.00 0.00 H new ATOM 0 HB THR A 74 -1.692 -17.349 0.899 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.861 -18.465 -1.452 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.116 -16.945 1.100 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.221 -15.446 0.755 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.131 -16.257 -0.542 1.00 0.00 H new ATOM 1036 N ASP A 75 -2.247 -15.122 -2.880 1.00 0.00 N ATOM 1037 CA ASP A 75 -2.885 -14.837 -4.150 1.00 0.00 C ATOM 1038 C ASP A 75 -1.916 -15.131 -5.282 1.00 0.00 C ATOM 1039 O ASP A 75 -1.033 -14.344 -5.616 1.00 0.00 O ATOM 1040 CB ASP A 75 -3.408 -13.396 -4.225 1.00 0.00 C ATOM 1041 CG ASP A 75 -2.330 -12.331 -4.082 1.00 0.00 C ATOM 1042 OD1 ASP A 75 -1.645 -12.307 -3.042 1.00 0.00 O ATOM 1043 OD2 ASP A 75 -2.180 -11.504 -5.011 1.00 0.00 O ATOM 0 H ASP A 75 -1.830 -14.308 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.756 -15.485 -4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.917 -13.256 -5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.152 -13.251 -3.442 1.00 0.00 H new TER 1048 ASP A 75