USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 526 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 35 THR OG1 : rot 178:sc= -0.588! USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0305 USER MOD Single : A 6 ASN :FLIP amide:sc= -2.53! F(o=-3.4,f=-2.5!) USER MOD Single : A 7 ASN : amide:sc= -0.82 X(o=-0.82,f=-0.51) USER MOD Single : A 11 TYR OH : rot -64:sc= 0.98 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -60:sc= -0.421 USER MOD Single : A 20 MET CE :methyl -160:sc= 0 (180deg=-0.664) USER MOD Single : A 22 TYR OH : rot -140:sc= -1.16 USER MOD Single : A 23 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.981) USER MOD Single : A 27 ASN : amide:sc= -0.0971 X(o=-0.097,f=-0.37) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 150:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.33 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -165:sc=-0.000898 (180deg=-0.0639) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= -1.95! (180deg=-3.56!) USER MOD Single : A 51 GLN : amide:sc= -0.0926 K(o=-0.093,f=-1.3!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 56 ASN : amide:sc= -13! C(o=-13!,f=-14!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -38:sc= -1.11 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 71:sc= -0.113 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0805 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N TYR A 2 0.645 -0.734 -3.615 1.00 42.32 N ATOM 12 CA TYR A 2 0.066 -1.871 -4.309 1.00 72.15 C ATOM 13 C TYR A 2 1.071 -2.490 -5.282 1.00 64.04 C ATOM 14 O TYR A 2 2.064 -1.858 -5.640 1.00 41.12 O ATOM 15 CB TYR A 2 -1.121 -1.321 -5.103 1.00 10.21 C ATOM 16 CG TYR A 2 -2.390 -1.126 -4.270 1.00 45.21 C ATOM 17 CD1 TYR A 2 -2.868 -2.158 -3.490 1.00 32.44 C ATOM 18 CD2 TYR A 2 -3.055 0.083 -4.299 1.00 73.14 C ATOM 19 CE1 TYR A 2 -4.062 -1.975 -2.706 1.00 11.22 C ATOM 20 CE2 TYR A 2 -4.249 0.267 -3.516 1.00 32.54 C ATOM 21 CZ TYR A 2 -4.694 -0.771 -2.757 1.00 63.45 C ATOM 22 OH TYR A 2 -5.821 -0.598 -2.017 1.00 73.02 O ATOM 0 HA TYR A 2 -0.228 -2.644 -3.599 1.00 72.15 H new ATOM 0 HB2 TYR A 2 -0.838 -0.365 -5.545 1.00 10.21 H new ATOM 0 HB3 TYR A 2 -1.340 -2.000 -5.927 1.00 10.21 H new ATOM 0 HD1 TYR A 2 -2.347 -3.104 -3.467 1.00 32.44 H new ATOM 0 HD2 TYR A 2 -2.680 0.891 -4.909 1.00 73.14 H new ATOM 0 HE1 TYR A 2 -4.447 -2.775 -2.091 1.00 11.22 H new ATOM 0 HE2 TYR A 2 -4.780 1.208 -3.531 1.00 32.54 H new ATOM 0 HH TYR A 2 -6.164 0.310 -2.151 1.00 73.02 H new ATOM 32 N VAL A 3 0.780 -3.719 -5.683 1.00 13.22 N ATOM 33 CA VAL A 3 1.646 -4.430 -6.607 1.00 61.23 C ATOM 34 C VAL A 3 0.799 -5.040 -7.726 1.00 63.21 C ATOM 35 O VAL A 3 -0.238 -5.644 -7.533 1.00 5.23 O ATOM 36 CB VAL A 3 2.477 -5.470 -5.852 1.00 14.43 C ATOM 37 CG1 VAL A 3 2.783 -6.677 -6.740 1.00 31.35 C ATOM 38 CG2 VAL A 3 3.764 -4.850 -5.305 1.00 23.11 C ATOM 0 H VAL A 3 -0.044 -4.240 -5.384 1.00 13.22 H new ATOM 0 HA VAL A 3 2.354 -3.743 -7.072 1.00 61.23 H new ATOM 0 HB VAL A 3 1.887 -5.820 -5.005 1.00 14.43 H new ATOM 0 HG11 VAL A 3 3.375 -7.401 -6.179 1.00 31.35 H new ATOM 0 HG12 VAL A 3 1.849 -7.140 -7.058 1.00 31.35 H new ATOM 0 HG13 VAL A 3 3.344 -6.351 -7.616 1.00 31.35 H new ATOM 0 HG21 VAL A 3 4.336 -5.610 -4.773 1.00 23.11 H new ATOM 0 HG22 VAL A 3 4.359 -4.459 -6.130 1.00 23.11 H new ATOM 0 HG23 VAL A 3 3.515 -4.038 -4.621 1.00 23.11 H new ATOM 48 N ASP A 4 1.271 -4.868 -8.930 1.00 75.32 N ATOM 49 CA ASP A 4 0.540 -5.421 -10.106 1.00 4.22 C ATOM 50 C ASP A 4 1.141 -6.772 -10.508 1.00 0.14 C ATOM 51 O ASP A 4 2.354 -6.925 -10.374 1.00 21.33 O ATOM 52 CB ASP A 4 0.744 -4.391 -11.218 1.00 14.13 C ATOM 53 CG ASP A 4 0.069 -4.882 -12.499 1.00 53.23 C ATOM 54 OD1 ASP A 4 -0.590 -5.907 -12.444 1.00 34.52 O ATOM 55 OD2 ASP A 4 0.222 -4.226 -13.517 1.00 4.33 O ATOM 0 H ASP A 4 2.132 -4.368 -9.151 1.00 75.32 H new ATOM 0 HA ASP A 4 -0.516 -5.590 -9.897 1.00 4.22 H new ATOM 0 HB2 ASP A 4 0.325 -3.430 -10.919 1.00 14.13 H new ATOM 0 HB3 ASP A 4 1.809 -4.235 -11.392 1.00 14.13 H new ATOM 60 N THR A 5 0.314 -7.697 -10.972 1.00 24.41 N ATOM 61 CA THR A 5 0.804 -9.006 -11.370 1.00 32.44 C ATOM 62 C THR A 5 0.839 -9.122 -12.895 1.00 4.33 C ATOM 63 O THR A 5 0.978 -10.218 -13.435 1.00 3.10 O ATOM 64 CB THR A 5 -0.077 -10.064 -10.701 1.00 0.33 C ATOM 65 OG1 THR A 5 -1.405 -9.588 -10.903 1.00 42.02 O ATOM 66 CG2 THR A 5 0.084 -10.083 -9.179 1.00 40.33 C ATOM 0 H THR A 5 -0.692 -7.566 -11.081 1.00 24.41 H new ATOM 0 HA THR A 5 1.831 -9.160 -11.040 1.00 32.44 H new ATOM 0 HB THR A 5 0.167 -11.047 -11.104 1.00 0.33 H new ATOM 0 HG1 THR A 5 -2.042 -10.215 -10.502 1.00 42.02 H new ATOM 0 HG21 THR A 5 -0.563 -10.851 -8.754 1.00 40.33 H new ATOM 0 HG22 THR A 5 1.121 -10.301 -8.926 1.00 40.33 H new ATOM 0 HG23 THR A 5 -0.192 -9.110 -8.772 1.00 40.33 H new ATOM 74 N ASN A 6 0.712 -7.975 -13.546 1.00 15.11 N ATOM 75 CA ASN A 6 0.727 -7.933 -14.998 1.00 63.33 C ATOM 76 C ASN A 6 2.008 -7.243 -15.470 1.00 45.15 C ATOM 77 O ASN A 6 2.415 -7.401 -16.620 1.00 44.04 O ATOM 78 CB ASN A 6 -0.464 -7.140 -15.540 1.00 20.45 C ATOM 79 CG ASN A 6 -1.739 -7.466 -14.760 1.00 33.33 C ATOM 80 OD1 ASN A 6 -1.816 -8.730 -14.353 1.00 63.01 O flip ATOM 81 ND2 ASN A 6 -2.597 -6.626 -14.542 1.00 34.14 N flip ATOM 0 H ASN A 6 0.598 -7.068 -13.094 1.00 15.11 H new ATOM 0 HA ASN A 6 0.674 -8.958 -15.365 1.00 63.33 H new ATOM 0 HB2 ASN A 6 -0.255 -6.072 -15.473 1.00 20.45 H new ATOM 0 HB3 ASN A 6 -0.610 -7.371 -16.595 1.00 20.45 H new ATOM 0 HD21 ASN A 6 -2.475 -5.672 -14.883 1.00 34.14 H new ATOM 0 HD22 ASN A 6 -3.436 -6.877 -14.019 1.00 34.14 H new ATOM 88 N ASN A 7 2.609 -6.492 -14.559 1.00 15.14 N ATOM 89 CA ASN A 7 3.835 -5.777 -14.867 1.00 42.24 C ATOM 90 C ASN A 7 3.522 -4.626 -15.825 1.00 50.33 C ATOM 91 O ASN A 7 4.399 -4.162 -16.552 1.00 4.10 O ATOM 92 CB ASN A 7 4.852 -6.695 -15.548 1.00 74.34 C ATOM 93 CG ASN A 7 4.971 -8.027 -14.805 1.00 65.20 C ATOM 94 OD1 ASN A 7 5.593 -8.131 -13.760 1.00 41.03 O ATOM 95 ND2 ASN A 7 4.343 -9.037 -15.400 1.00 64.21 N ATOM 0 H ASN A 7 2.269 -6.363 -13.606 1.00 15.14 H new ATOM 0 HA ASN A 7 4.253 -5.407 -13.931 1.00 42.24 H new ATOM 0 HB2 ASN A 7 4.551 -6.876 -16.580 1.00 74.34 H new ATOM 0 HB3 ASN A 7 5.825 -6.205 -15.581 1.00 74.34 H new ATOM 0 HD21 ASN A 7 4.364 -9.967 -14.982 1.00 64.21 H new ATOM 0 HD22 ASN A 7 3.840 -8.881 -16.274 1.00 64.21 H new ATOM 102 N ASP A 8 2.268 -4.198 -15.795 1.00 45.34 N ATOM 103 CA ASP A 8 1.829 -3.110 -16.652 1.00 54.51 C ATOM 104 C ASP A 8 2.037 -1.779 -15.927 1.00 1.25 C ATOM 105 O ASP A 8 2.175 -0.735 -16.563 1.00 75.43 O ATOM 106 CB ASP A 8 0.341 -3.238 -16.986 1.00 20.14 C ATOM 107 CG ASP A 8 -0.610 -2.688 -15.921 1.00 33.42 C ATOM 108 OD1 ASP A 8 -0.529 -1.468 -15.663 1.00 33.00 O ATOM 109 OD2 ASP A 8 -1.397 -3.501 -15.389 1.00 30.13 O ATOM 0 H ASP A 8 1.543 -4.585 -15.191 1.00 45.34 H new ATOM 0 HA ASP A 8 2.411 -3.151 -17.573 1.00 54.51 H new ATOM 0 HB2 ASP A 8 0.149 -2.720 -17.926 1.00 20.14 H new ATOM 0 HB3 ASP A 8 0.110 -4.291 -17.149 1.00 20.14 H new ATOM 114 N GLY A 9 2.054 -1.859 -14.604 1.00 43.32 N ATOM 115 CA GLY A 9 2.244 -0.673 -13.785 1.00 72.52 C ATOM 116 C GLY A 9 0.900 -0.041 -13.417 1.00 42.20 C ATOM 117 O GLY A 9 0.795 1.180 -13.305 1.00 75.44 O ATOM 0 H GLY A 9 1.939 -2.726 -14.079 1.00 43.32 H new ATOM 0 HA2 GLY A 9 2.787 -0.936 -12.877 1.00 72.52 H new ATOM 0 HA3 GLY A 9 2.855 0.051 -14.323 1.00 72.52 H new ATOM 121 N ALA A 10 -0.093 -0.899 -13.239 1.00 21.44 N ATOM 122 CA ALA A 10 -1.425 -0.440 -12.885 1.00 53.24 C ATOM 123 C ALA A 10 -2.075 -1.452 -11.940 1.00 33.01 C ATOM 124 O ALA A 10 -1.933 -2.660 -12.124 1.00 44.35 O ATOM 125 CB ALA A 10 -2.245 -0.222 -14.159 1.00 3.10 C ATOM 0 H ALA A 10 -0.002 -1.911 -13.333 1.00 21.44 H new ATOM 0 HA ALA A 10 -1.375 0.515 -12.361 1.00 53.24 H new ATOM 0 HB1 ALA A 10 -3.245 0.122 -13.894 1.00 3.10 H new ATOM 0 HB2 ALA A 10 -1.757 0.527 -14.782 1.00 3.10 H new ATOM 0 HB3 ALA A 10 -2.319 -1.160 -14.709 1.00 3.10 H new ATOM 131 N TYR A 11 -2.775 -0.922 -10.948 1.00 34.02 N ATOM 132 CA TYR A 11 -3.448 -1.764 -9.973 1.00 62.10 C ATOM 133 C TYR A 11 -4.939 -1.888 -10.291 1.00 72.05 C ATOM 134 O TYR A 11 -5.675 -0.904 -10.230 1.00 44.11 O ATOM 135 CB TYR A 11 -3.283 -1.062 -8.624 1.00 12.40 C ATOM 136 CG TYR A 11 -1.828 -0.785 -8.240 1.00 34.44 C ATOM 137 CD1 TYR A 11 -0.894 -1.800 -8.300 1.00 51.40 C ATOM 138 CD2 TYR A 11 -1.450 0.478 -7.833 1.00 20.25 C ATOM 139 CE1 TYR A 11 0.475 -1.540 -7.938 1.00 42.33 C ATOM 140 CE2 TYR A 11 -0.081 0.738 -7.471 1.00 24.32 C ATOM 141 CZ TYR A 11 0.814 -0.284 -7.542 1.00 4.24 C ATOM 142 OH TYR A 11 2.108 -0.038 -7.200 1.00 33.40 O ATOM 0 H TYR A 11 -2.891 0.080 -10.798 1.00 34.02 H new ATOM 0 HA TYR A 11 -3.024 -2.768 -9.976 1.00 62.10 H new ATOM 0 HB2 TYR A 11 -3.828 -0.118 -8.648 1.00 12.40 H new ATOM 0 HB3 TYR A 11 -3.742 -1.675 -7.848 1.00 12.40 H new ATOM 0 HD1 TYR A 11 -1.190 -2.789 -8.618 1.00 51.40 H new ATOM 0 HD2 TYR A 11 -2.181 1.272 -7.786 1.00 20.25 H new ATOM 0 HE1 TYR A 11 1.216 -2.325 -7.980 1.00 42.33 H new ATOM 0 HE2 TYR A 11 0.228 1.722 -7.150 1.00 24.32 H new ATOM 0 HH TYR A 11 2.345 -0.571 -6.412 1.00 33.40 H new ATOM 152 N GLU A 12 -5.341 -3.106 -10.625 1.00 13.41 N ATOM 153 CA GLU A 12 -6.732 -3.371 -10.953 1.00 43.01 C ATOM 154 C GLU A 12 -7.049 -4.855 -10.758 1.00 13.10 C ATOM 155 O GLU A 12 -6.510 -5.707 -11.463 1.00 12.40 O ATOM 156 CB GLU A 12 -7.053 -2.925 -12.381 1.00 1.32 C ATOM 157 CG GLU A 12 -6.449 -3.887 -13.405 1.00 65.22 C ATOM 158 CD GLU A 12 -4.976 -4.163 -13.096 1.00 45.43 C ATOM 159 OE1 GLU A 12 -4.248 -3.172 -12.870 1.00 12.53 O ATOM 160 OE2 GLU A 12 -4.610 -5.358 -13.094 1.00 11.01 O ATOM 0 H GLU A 12 -4.728 -3.920 -10.676 1.00 13.41 H new ATOM 0 HA GLU A 12 -7.361 -2.793 -10.277 1.00 43.01 H new ATOM 0 HB2 GLU A 12 -8.133 -2.876 -12.516 1.00 1.32 H new ATOM 0 HB3 GLU A 12 -6.665 -1.920 -12.548 1.00 1.32 H new ATOM 0 HG2 GLU A 12 -7.006 -4.824 -13.402 1.00 65.22 H new ATOM 0 HG3 GLU A 12 -6.541 -3.464 -14.405 1.00 65.22 H new ATOM 167 N GLY A 13 -7.923 -5.119 -9.798 1.00 11.03 N ATOM 168 CA GLY A 13 -8.319 -6.485 -9.501 1.00 61.30 C ATOM 169 C GLY A 13 -7.736 -6.947 -8.164 1.00 0.12 C ATOM 170 O GLY A 13 -7.999 -6.342 -7.126 1.00 0.41 O ATOM 0 H GLY A 13 -8.368 -4.410 -9.216 1.00 11.03 H new ATOM 0 HA2 GLY A 13 -9.406 -6.554 -9.471 1.00 61.30 H new ATOM 0 HA3 GLY A 13 -7.980 -7.147 -10.298 1.00 61.30 H new ATOM 174 N ASP A 14 -6.955 -8.015 -8.232 1.00 73.23 N ATOM 175 CA ASP A 14 -6.333 -8.565 -7.040 1.00 1.01 C ATOM 176 C ASP A 14 -5.121 -7.711 -6.663 1.00 24.22 C ATOM 177 O ASP A 14 -4.625 -7.792 -5.540 1.00 63.50 O ATOM 178 CB ASP A 14 -5.847 -9.995 -7.282 1.00 21.31 C ATOM 179 CG ASP A 14 -6.953 -11.050 -7.355 1.00 24.31 C ATOM 180 OD1 ASP A 14 -6.744 -12.220 -6.999 1.00 50.33 O ATOM 181 OD2 ASP A 14 -8.084 -10.624 -7.806 1.00 23.32 O ATOM 0 H ASP A 14 -6.739 -8.514 -9.095 1.00 73.23 H new ATOM 0 HA ASP A 14 -7.076 -8.567 -6.242 1.00 1.01 H new ATOM 0 HB2 ASP A 14 -5.282 -10.018 -8.214 1.00 21.31 H new ATOM 0 HB3 ASP A 14 -5.157 -10.268 -6.484 1.00 21.31 H new ATOM 187 N GLU A 15 -4.678 -6.912 -7.622 1.00 53.14 N ATOM 188 CA GLU A 15 -3.533 -6.044 -7.405 1.00 55.10 C ATOM 189 C GLU A 15 -3.873 -4.966 -6.374 1.00 51.52 C ATOM 190 O GLU A 15 -2.993 -4.236 -5.921 1.00 43.42 O ATOM 191 CB GLU A 15 -3.063 -5.417 -8.719 1.00 71.42 C ATOM 192 CG GLU A 15 -2.841 -6.489 -9.789 1.00 11.42 C ATOM 193 CD GLU A 15 -2.921 -5.886 -11.193 1.00 25.10 C ATOM 194 OE1 GLU A 15 -3.059 -4.646 -11.272 1.00 24.25 O ATOM 195 OE2 GLU A 15 -2.841 -6.679 -12.156 1.00 75.00 O ATOM 0 H GLU A 15 -5.092 -6.847 -8.552 1.00 53.14 H new ATOM 0 HA GLU A 15 -2.713 -6.647 -7.015 1.00 55.10 H new ATOM 0 HB2 GLU A 15 -3.803 -4.697 -9.068 1.00 71.42 H new ATOM 0 HB3 GLU A 15 -2.137 -4.866 -8.553 1.00 71.42 H new ATOM 0 HG2 GLU A 15 -1.867 -6.956 -9.645 1.00 11.42 H new ATOM 0 HG3 GLU A 15 -3.590 -7.274 -9.683 1.00 11.42 H new ATOM 202 N LEU A 16 -5.152 -4.899 -6.034 1.00 23.35 N ATOM 203 CA LEU A 16 -5.618 -3.922 -5.064 1.00 75.35 C ATOM 204 C LEU A 16 -6.056 -4.645 -3.789 1.00 11.33 C ATOM 205 O LEU A 16 -6.990 -4.212 -3.115 1.00 72.15 O ATOM 206 CB LEU A 16 -6.708 -3.040 -5.676 1.00 53.40 C ATOM 207 CG LEU A 16 -6.302 -2.228 -6.908 1.00 64.50 C ATOM 208 CD1 LEU A 16 -7.508 -1.960 -7.810 1.00 3.51 C ATOM 209 CD2 LEU A 16 -5.589 -0.936 -6.503 1.00 72.41 C ATOM 0 H LEU A 16 -5.880 -5.505 -6.413 1.00 23.35 H new ATOM 0 HA LEU A 16 -4.810 -3.245 -4.785 1.00 75.35 H new ATOM 0 HB2 LEU A 16 -7.552 -3.675 -5.946 1.00 53.40 H new ATOM 0 HB3 LEU A 16 -7.061 -2.349 -4.910 1.00 53.40 H new ATOM 0 HG LEU A 16 -5.592 -2.818 -7.488 1.00 64.50 H new ATOM 0 HD11 LEU A 16 -7.192 -1.381 -8.678 1.00 3.51 H new ATOM 0 HD12 LEU A 16 -7.933 -2.908 -8.141 1.00 3.51 H new ATOM 0 HD13 LEU A 16 -8.260 -1.400 -7.255 1.00 3.51 H new ATOM 0 HD21 LEU A 16 -5.311 -0.378 -7.397 1.00 72.41 H new ATOM 0 HD22 LEU A 16 -6.255 -0.330 -5.889 1.00 72.41 H new ATOM 0 HD23 LEU A 16 -4.692 -1.179 -5.934 1.00 72.41 H new ATOM 221 N SER A 17 -5.360 -5.733 -3.495 1.00 32.12 N ATOM 222 CA SER A 17 -5.665 -6.520 -2.312 1.00 12.33 C ATOM 223 C SER A 17 -4.873 -5.992 -1.114 1.00 23.10 C ATOM 224 O SER A 17 -5.253 -6.217 0.034 1.00 25.11 O ATOM 225 CB SER A 17 -5.358 -8.001 -2.541 1.00 3.23 C ATOM 226 OG SER A 17 -6.110 -8.843 -1.671 1.00 41.23 O ATOM 0 H SER A 17 -4.586 -6.088 -4.056 1.00 32.12 H new ATOM 0 HA SER A 17 -6.731 -6.426 -2.104 1.00 12.33 H new ATOM 0 HB2 SER A 17 -5.578 -8.261 -3.576 1.00 3.23 H new ATOM 0 HB3 SER A 17 -4.294 -8.179 -2.387 1.00 3.23 H new ATOM 0 HG SER A 17 -5.887 -9.780 -1.849 1.00 41.23 H new ATOM 232 N GLY A 18 -3.786 -5.300 -1.423 1.00 21.03 N ATOM 233 CA GLY A 18 -2.937 -4.739 -0.386 1.00 45.41 C ATOM 234 C GLY A 18 -1.587 -5.457 -0.334 1.00 21.51 C ATOM 235 O GLY A 18 -1.535 -6.680 -0.208 1.00 12.14 O ATOM 0 H GLY A 18 -3.474 -5.115 -2.376 1.00 21.03 H new ATOM 0 HA2 GLY A 18 -2.781 -3.677 -0.574 1.00 45.41 H new ATOM 0 HA3 GLY A 18 -3.434 -4.822 0.580 1.00 45.41 H new ATOM 239 N THR A 19 -0.528 -4.668 -0.434 1.00 3.13 N ATOM 240 CA THR A 19 0.819 -5.214 -0.399 1.00 55.35 C ATOM 241 C THR A 19 1.523 -4.814 0.899 1.00 60.35 C ATOM 242 O THR A 19 0.949 -4.113 1.730 1.00 0.02 O ATOM 243 CB THR A 19 1.551 -4.744 -1.658 1.00 22.22 C ATOM 244 OG1 THR A 19 0.526 -4.656 -2.644 1.00 2.02 O ATOM 245 CG2 THR A 19 2.508 -5.804 -2.208 1.00 54.04 C ATOM 0 H THR A 19 -0.575 -3.655 -0.539 1.00 3.13 H new ATOM 0 HA THR A 19 0.805 -6.304 -0.401 1.00 55.35 H new ATOM 0 HB THR A 19 2.107 -3.833 -1.436 1.00 22.22 H new ATOM 0 HG1 THR A 19 0.114 -5.537 -2.767 1.00 2.02 H new ATOM 0 HG21 THR A 19 3.002 -5.420 -3.101 1.00 54.04 H new ATOM 0 HG22 THR A 19 3.257 -6.044 -1.454 1.00 54.04 H new ATOM 0 HG23 THR A 19 1.947 -6.704 -2.462 1.00 54.04 H new ATOM 253 N MET A 20 2.757 -5.278 1.031 1.00 30.14 N ATOM 254 CA MET A 20 3.546 -4.978 2.214 1.00 30.11 C ATOM 255 C MET A 20 4.939 -4.474 1.831 1.00 53.33 C ATOM 256 O MET A 20 5.651 -5.126 1.069 1.00 1.11 O ATOM 257 CB MET A 20 3.677 -6.237 3.073 1.00 24.22 C ATOM 258 CG MET A 20 2.306 -6.723 3.548 1.00 2.51 C ATOM 259 SD MET A 20 2.503 -8.004 4.775 1.00 64.02 S ATOM 260 CE MET A 20 2.035 -7.103 6.243 1.00 45.43 C ATOM 0 H MET A 20 3.230 -5.859 0.339 1.00 30.14 H new ATOM 0 HA MET A 20 3.039 -4.194 2.777 1.00 30.11 H new ATOM 0 HB2 MET A 20 4.167 -7.024 2.499 1.00 24.22 H new ATOM 0 HB3 MET A 20 4.311 -6.029 3.935 1.00 24.22 H new ATOM 0 HG2 MET A 20 1.741 -5.890 3.967 1.00 2.51 H new ATOM 0 HG3 MET A 20 1.733 -7.103 2.702 1.00 2.51 H new ATOM 0 HE1 MET A 20 2.427 -7.613 7.123 1.00 45.43 H new ATOM 0 HE2 MET A 20 2.443 -6.094 6.196 1.00 45.43 H new ATOM 0 HE3 MET A 20 0.948 -7.052 6.308 1.00 45.43 H new ATOM 270 N GLU A 21 5.285 -3.317 2.376 1.00 21.01 N ATOM 271 CA GLU A 21 6.580 -2.718 2.101 1.00 52.32 C ATOM 272 C GLU A 21 7.580 -3.087 3.198 1.00 12.34 C ATOM 273 O GLU A 21 7.211 -3.199 4.367 1.00 62.04 O ATOM 274 CB GLU A 21 6.461 -1.199 1.955 1.00 23.31 C ATOM 275 CG GLU A 21 7.822 -0.523 2.132 1.00 24.55 C ATOM 276 CD GLU A 21 7.714 0.989 1.932 1.00 53.42 C ATOM 277 OE1 GLU A 21 7.805 1.752 2.905 1.00 11.13 O ATOM 278 OE2 GLU A 21 7.529 1.366 0.712 1.00 72.32 O ATOM 0 H GLU A 21 4.691 -2.778 3.007 1.00 21.01 H new ATOM 0 HA GLU A 21 6.948 -3.114 1.154 1.00 52.32 H new ATOM 0 HB2 GLU A 21 6.055 -0.955 0.973 1.00 23.31 H new ATOM 0 HB3 GLU A 21 5.760 -0.813 2.695 1.00 23.31 H new ATOM 0 HG2 GLU A 21 8.210 -0.735 3.128 1.00 24.55 H new ATOM 0 HG3 GLU A 21 8.533 -0.938 1.418 1.00 24.55 H new ATOM 286 N TYR A 22 8.825 -3.265 2.784 1.00 25.11 N ATOM 287 CA TYR A 22 9.881 -3.619 3.718 1.00 62.14 C ATOM 288 C TYR A 22 11.161 -2.834 3.422 1.00 71.24 C ATOM 289 O TYR A 22 11.434 -2.496 2.271 1.00 72.21 O ATOM 290 CB TYR A 22 10.151 -5.110 3.504 1.00 54.11 C ATOM 291 CG TYR A 22 8.894 -5.981 3.545 1.00 31.52 C ATOM 292 CD1 TYR A 22 8.184 -6.225 2.387 1.00 44.33 C ATOM 293 CD2 TYR A 22 8.470 -6.525 4.741 1.00 13.30 C ATOM 294 CE1 TYR A 22 7.002 -7.045 2.426 1.00 55.04 C ATOM 295 CE2 TYR A 22 7.287 -7.345 4.780 1.00 51.01 C ATOM 296 CZ TYR A 22 6.611 -7.565 3.620 1.00 1.43 C ATOM 297 OH TYR A 22 5.494 -8.339 3.657 1.00 20.41 O ATOM 0 H TYR A 22 9.127 -3.171 1.814 1.00 25.11 H new ATOM 0 HA TYR A 22 9.581 -3.391 4.741 1.00 62.14 H new ATOM 0 HB2 TYR A 22 10.643 -5.245 2.541 1.00 54.11 H new ATOM 0 HB3 TYR A 22 10.846 -5.457 4.269 1.00 54.11 H new ATOM 0 HD1 TYR A 22 8.516 -5.800 1.451 1.00 44.33 H new ATOM 0 HD2 TYR A 22 9.026 -6.335 5.647 1.00 13.30 H new ATOM 0 HE1 TYR A 22 6.438 -7.243 1.527 1.00 55.04 H new ATOM 0 HE2 TYR A 22 6.944 -7.776 5.709 1.00 51.01 H new ATOM 0 HH TYR A 22 4.979 -8.132 4.465 1.00 20.41 H new ATOM 307 N LYS A 23 11.911 -2.567 4.480 1.00 24.12 N ATOM 308 CA LYS A 23 13.156 -1.828 4.348 1.00 33.43 C ATOM 309 C LYS A 23 14.333 -2.802 4.431 1.00 0.01 C ATOM 310 O LYS A 23 14.559 -3.422 5.469 1.00 12.34 O ATOM 311 CB LYS A 23 13.219 -0.698 5.377 1.00 1.32 C ATOM 312 CG LYS A 23 14.609 -0.058 5.403 1.00 14.44 C ATOM 313 CD LYS A 23 14.625 1.250 4.609 1.00 70.22 C ATOM 314 CE LYS A 23 14.775 2.455 5.539 1.00 12.13 C ATOM 315 NZ LYS A 23 16.168 2.564 6.026 1.00 22.33 N ATOM 0 H LYS A 23 11.681 -2.849 5.433 1.00 24.12 H new ATOM 0 HA LYS A 23 13.211 -1.344 3.373 1.00 33.43 H new ATOM 0 HB2 LYS A 23 12.471 0.058 5.139 1.00 1.32 H new ATOM 0 HB3 LYS A 23 12.975 -1.087 6.366 1.00 1.32 H new ATOM 0 HG2 LYS A 23 14.905 0.135 6.434 1.00 14.44 H new ATOM 0 HG3 LYS A 23 15.340 -0.750 4.985 1.00 14.44 H new ATOM 0 HD2 LYS A 23 15.447 1.235 3.893 1.00 70.22 H new ATOM 0 HD3 LYS A 23 13.703 1.342 4.035 1.00 70.22 H new ATOM 0 HE2 LYS A 23 14.496 3.367 5.011 1.00 12.13 H new ATOM 0 HE3 LYS A 23 14.095 2.356 6.385 1.00 12.13 H new ATOM 0 HZ1 LYS A 23 16.164 2.821 7.034 1.00 22.33 H new ATOM 0 HZ2 LYS A 23 16.651 1.651 5.903 1.00 22.33 H new ATOM 0 HZ3 LYS A 23 16.669 3.297 5.484 1.00 22.33 H new ATOM 328 N LEU A 24 15.052 -2.906 3.323 1.00 24.14 N ATOM 329 CA LEU A 24 16.201 -3.794 3.258 1.00 51.23 C ATOM 330 C LEU A 24 17.479 -2.984 3.481 1.00 5.23 C ATOM 331 O LEU A 24 17.844 -2.151 2.653 1.00 53.31 O ATOM 332 CB LEU A 24 16.194 -4.583 1.947 1.00 50.43 C ATOM 333 CG LEU A 24 17.417 -5.465 1.688 1.00 2.32 C ATOM 334 CD1 LEU A 24 18.505 -4.689 0.943 1.00 73.05 C ATOM 335 CD2 LEU A 24 17.939 -6.074 2.991 1.00 32.10 C ATOM 0 H LEU A 24 14.862 -2.391 2.464 1.00 24.14 H new ATOM 0 HA LEU A 24 16.153 -4.539 4.052 1.00 51.23 H new ATOM 0 HB2 LEU A 24 15.306 -5.214 1.931 1.00 50.43 H new ATOM 0 HB3 LEU A 24 16.099 -3.877 1.122 1.00 50.43 H new ATOM 0 HG LEU A 24 17.112 -6.291 1.045 1.00 2.32 H new ATOM 0 HD11 LEU A 24 19.363 -5.339 0.772 1.00 73.05 H new ATOM 0 HD12 LEU A 24 18.115 -4.343 -0.014 1.00 73.05 H new ATOM 0 HD13 LEU A 24 18.814 -3.831 1.540 1.00 73.05 H new ATOM 0 HD21 LEU A 24 18.808 -6.696 2.779 1.00 32.10 H new ATOM 0 HD22 LEU A 24 18.223 -5.276 3.678 1.00 32.10 H new ATOM 0 HD23 LEU A 24 17.158 -6.684 3.446 1.00 32.10 H new ATOM 347 N ILE A 25 18.126 -3.257 4.605 1.00 12.22 N ATOM 348 CA ILE A 25 19.356 -2.564 4.948 1.00 1.22 C ATOM 349 C ILE A 25 20.521 -3.555 4.915 1.00 60.12 C ATOM 350 O ILE A 25 20.482 -4.587 5.583 1.00 1.02 O ATOM 351 CB ILE A 25 19.206 -1.836 6.286 1.00 70.13 C ATOM 352 CG1 ILE A 25 18.107 -0.774 6.212 1.00 41.13 C ATOM 353 CG2 ILE A 25 20.542 -1.247 6.743 1.00 63.44 C ATOM 354 CD1 ILE A 25 17.441 -0.578 7.575 1.00 2.02 C ATOM 0 H ILE A 25 17.821 -3.949 5.290 1.00 12.22 H new ATOM 0 HA ILE A 25 19.574 -1.790 4.213 1.00 1.22 H new ATOM 0 HB ILE A 25 18.901 -2.564 7.038 1.00 70.13 H new ATOM 0 HG12 ILE A 25 18.531 0.170 5.872 1.00 41.13 H new ATOM 0 HG13 ILE A 25 17.359 -1.071 5.477 1.00 41.13 H new ATOM 0 HG21 ILE A 25 20.407 -0.735 7.696 1.00 63.44 H new ATOM 0 HG22 ILE A 25 21.271 -2.048 6.861 1.00 63.44 H new ATOM 0 HG23 ILE A 25 20.901 -0.537 5.998 1.00 63.44 H new ATOM 0 HD11 ILE A 25 16.664 0.182 7.494 1.00 2.02 H new ATOM 0 HD12 ILE A 25 16.997 -1.518 7.901 1.00 2.02 H new ATOM 0 HD13 ILE A 25 18.187 -0.258 8.302 1.00 2.02 H new ATOM 366 N LEU A 26 21.530 -3.207 4.130 1.00 40.01 N ATOM 367 CA LEU A 26 22.704 -4.053 4.001 1.00 61.34 C ATOM 368 C LEU A 26 23.912 -3.340 4.612 1.00 53.45 C ATOM 369 O LEU A 26 24.388 -2.343 4.070 1.00 54.00 O ATOM 370 CB LEU A 26 22.908 -4.468 2.542 1.00 52.31 C ATOM 371 CG LEU A 26 21.637 -4.786 1.751 1.00 21.25 C ATOM 372 CD1 LEU A 26 21.184 -3.577 0.931 1.00 65.03 C ATOM 373 CD2 LEU A 26 21.830 -6.030 0.881 1.00 12.24 C ATOM 0 H LEU A 26 21.559 -2.350 3.577 1.00 40.01 H new ATOM 0 HA LEU A 26 22.567 -4.981 4.556 1.00 61.34 H new ATOM 0 HB2 LEU A 26 23.441 -3.668 2.029 1.00 52.31 H new ATOM 0 HB3 LEU A 26 23.554 -5.346 2.522 1.00 52.31 H new ATOM 0 HG LEU A 26 20.840 -5.010 2.460 1.00 21.25 H new ATOM 0 HD11 LEU A 26 20.279 -3.830 0.379 1.00 65.03 H new ATOM 0 HD12 LEU A 26 20.979 -2.740 1.599 1.00 65.03 H new ATOM 0 HD13 LEU A 26 21.971 -3.297 0.230 1.00 65.03 H new ATOM 0 HD21 LEU A 26 20.912 -6.234 0.329 1.00 12.24 H new ATOM 0 HD22 LEU A 26 22.646 -5.860 0.178 1.00 12.24 H new ATOM 0 HD23 LEU A 26 22.070 -6.884 1.515 1.00 12.24 H new ATOM 385 N ASN A 27 24.373 -3.878 5.731 1.00 13.41 N ATOM 386 CA ASN A 27 25.516 -3.305 6.421 1.00 13.44 C ATOM 387 C ASN A 27 26.749 -4.173 6.165 1.00 51.03 C ATOM 388 O ASN A 27 26.919 -5.217 6.792 1.00 32.22 O ATOM 389 CB ASN A 27 25.279 -3.255 7.932 1.00 34.01 C ATOM 390 CG ASN A 27 24.771 -1.877 8.362 1.00 34.55 C ATOM 391 OD1 ASN A 27 25.307 -0.846 7.992 1.00 10.05 O ATOM 392 ND2 ASN A 27 23.709 -1.918 9.163 1.00 62.12 N ATOM 0 H ASN A 27 23.976 -4.705 6.177 1.00 13.41 H new ATOM 0 HA ASN A 27 25.664 -2.293 6.045 1.00 13.44 H new ATOM 0 HB2 ASN A 27 24.554 -4.018 8.216 1.00 34.01 H new ATOM 0 HB3 ASN A 27 26.206 -3.485 8.457 1.00 34.01 H new ATOM 0 HD21 ASN A 27 23.295 -1.051 9.505 1.00 62.12 H new ATOM 0 HD22 ASN A 27 23.309 -2.816 9.434 1.00 62.12 H new ATOM 399 N GLY A 28 27.578 -3.709 5.241 1.00 31.21 N ATOM 400 CA GLY A 28 28.790 -4.430 4.894 1.00 65.54 C ATOM 401 C GLY A 28 29.990 -3.484 4.821 1.00 1.51 C ATOM 402 O GLY A 28 29.832 -2.296 4.541 1.00 62.31 O ATOM 0 H GLY A 28 27.434 -2.843 4.722 1.00 31.21 H new ATOM 0 HA2 GLY A 28 28.980 -5.207 5.635 1.00 65.54 H new ATOM 0 HA3 GLY A 28 28.658 -4.930 3.934 1.00 65.54 H new ATOM 406 N LYS A 29 31.162 -4.044 5.078 1.00 25.35 N ATOM 407 CA LYS A 29 32.388 -3.265 5.046 1.00 43.31 C ATOM 408 C LYS A 29 32.665 -2.818 3.609 1.00 2.31 C ATOM 409 O LYS A 29 33.151 -1.711 3.382 1.00 13.43 O ATOM 410 CB LYS A 29 33.539 -4.049 5.679 1.00 63.55 C ATOM 411 CG LYS A 29 33.117 -4.658 7.018 1.00 45.33 C ATOM 412 CD LYS A 29 32.514 -3.594 7.937 1.00 11.00 C ATOM 413 CE LYS A 29 30.992 -3.539 7.787 1.00 23.43 C ATOM 414 NZ LYS A 29 30.356 -3.212 9.083 1.00 55.45 N ATOM 0 H LYS A 29 31.289 -5.029 5.310 1.00 25.35 H new ATOM 0 HA LYS A 29 32.281 -2.362 5.647 1.00 43.31 H new ATOM 0 HB2 LYS A 29 33.861 -4.840 5.001 1.00 63.55 H new ATOM 0 HB3 LYS A 29 34.394 -3.390 5.829 1.00 63.55 H new ATOM 0 HG2 LYS A 29 32.389 -5.452 6.848 1.00 45.33 H new ATOM 0 HG3 LYS A 29 33.980 -5.115 7.502 1.00 45.33 H new ATOM 0 HD2 LYS A 29 32.773 -3.814 8.973 1.00 11.00 H new ATOM 0 HD3 LYS A 29 32.942 -2.620 7.701 1.00 11.00 H new ATOM 0 HE2 LYS A 29 30.721 -2.790 7.043 1.00 23.43 H new ATOM 0 HE3 LYS A 29 30.621 -4.498 7.425 1.00 23.43 H new ATOM 0 HZ1 LYS A 29 29.323 -3.178 8.964 1.00 55.45 H new ATOM 0 HZ2 LYS A 29 30.601 -3.941 9.783 1.00 55.45 H new ATOM 0 HZ3 LYS A 29 30.697 -2.287 9.413 1.00 55.45 H new ATOM 427 N THR A 30 32.345 -3.702 2.676 1.00 54.10 N ATOM 428 CA THR A 30 32.553 -3.412 1.267 1.00 32.34 C ATOM 429 C THR A 30 31.231 -3.022 0.602 1.00 4.23 C ATOM 430 O THR A 30 31.225 -2.339 -0.421 1.00 23.21 O ATOM 431 CB THR A 30 33.218 -4.632 0.627 1.00 21.32 C ATOM 432 OG1 THR A 30 32.192 -5.621 0.616 1.00 61.13 O ATOM 433 CG2 THR A 30 34.309 -5.237 1.514 1.00 74.13 C ATOM 0 H THR A 30 31.943 -4.620 2.868 1.00 54.10 H new ATOM 0 HA THR A 30 33.213 -2.555 1.133 1.00 32.34 H new ATOM 0 HB THR A 30 33.647 -4.349 -0.334 1.00 21.32 H new ATOM 0 HG1 THR A 30 32.537 -6.446 0.215 1.00 61.13 H new ATOM 0 HG21 THR A 30 34.748 -6.100 1.013 1.00 74.13 H new ATOM 0 HG22 THR A 30 35.083 -4.492 1.699 1.00 74.13 H new ATOM 0 HG23 THR A 30 33.874 -5.551 2.463 1.00 74.13 H new ATOM 441 N LEU A 31 30.144 -3.472 1.211 1.00 50.13 N ATOM 442 CA LEU A 31 28.819 -3.178 0.690 1.00 25.14 C ATOM 443 C LEU A 31 27.935 -2.657 1.825 1.00 73.04 C ATOM 444 O LEU A 31 27.497 -3.426 2.679 1.00 62.31 O ATOM 445 CB LEU A 31 28.243 -4.400 -0.028 1.00 12.13 C ATOM 446 CG LEU A 31 27.411 -4.112 -1.279 1.00 51.31 C ATOM 447 CD1 LEU A 31 26.127 -3.360 -0.923 1.00 32.33 C ATOM 448 CD2 LEU A 31 28.239 -3.367 -2.328 1.00 53.42 C ATOM 0 H LEU A 31 30.153 -4.038 2.060 1.00 50.13 H new ATOM 0 HA LEU A 31 28.870 -2.391 -0.062 1.00 25.14 H new ATOM 0 HB2 LEU A 31 29.068 -5.055 -0.307 1.00 12.13 H new ATOM 0 HB3 LEU A 31 27.623 -4.952 0.678 1.00 12.13 H new ATOM 0 HG LEU A 31 27.115 -5.064 -1.719 1.00 51.31 H new ATOM 0 HD11 LEU A 31 25.554 -3.168 -1.830 1.00 32.33 H new ATOM 0 HD12 LEU A 31 25.530 -3.963 -0.238 1.00 32.33 H new ATOM 0 HD13 LEU A 31 26.380 -2.413 -0.447 1.00 32.33 H new ATOM 0 HD21 LEU A 31 27.624 -3.175 -3.207 1.00 53.42 H new ATOM 0 HD22 LEU A 31 28.585 -2.420 -1.913 1.00 53.42 H new ATOM 0 HD23 LEU A 31 29.098 -3.975 -2.612 1.00 53.42 H new ATOM 460 N LYS A 32 27.698 -1.354 1.796 1.00 15.11 N ATOM 461 CA LYS A 32 26.873 -0.721 2.811 1.00 12.13 C ATOM 462 C LYS A 32 25.869 0.216 2.136 1.00 64.02 C ATOM 463 O LYS A 32 26.258 1.115 1.392 1.00 52.13 O ATOM 464 CB LYS A 32 27.748 -0.032 3.860 1.00 43.43 C ATOM 465 CG LYS A 32 29.049 0.480 3.237 1.00 21.23 C ATOM 466 CD LYS A 32 29.993 1.026 4.311 1.00 70.34 C ATOM 467 CE LYS A 32 30.005 2.556 4.303 1.00 22.42 C ATOM 468 NZ LYS A 32 31.048 3.070 5.219 1.00 32.01 N ATOM 0 H LYS A 32 28.063 -0.719 1.086 1.00 15.11 H new ATOM 0 HA LYS A 32 26.296 -1.470 3.353 1.00 12.13 H new ATOM 0 HB2 LYS A 32 27.202 0.800 4.305 1.00 43.43 H new ATOM 0 HB3 LYS A 32 27.976 -0.731 4.665 1.00 43.43 H new ATOM 0 HG2 LYS A 32 29.539 -0.328 2.694 1.00 21.23 H new ATOM 0 HG3 LYS A 32 28.826 1.263 2.512 1.00 21.23 H new ATOM 0 HD2 LYS A 32 29.681 0.666 5.292 1.00 70.34 H new ATOM 0 HD3 LYS A 32 31.002 0.650 4.139 1.00 70.34 H new ATOM 0 HE2 LYS A 32 30.189 2.919 3.292 1.00 22.42 H new ATOM 0 HE3 LYS A 32 29.029 2.935 4.605 1.00 22.42 H new ATOM 0 HZ1 LYS A 32 31.043 4.110 5.202 1.00 32.01 H new ATOM 0 HZ2 LYS A 32 30.855 2.739 6.186 1.00 32.01 H new ATOM 0 HZ3 LYS A 32 31.980 2.723 4.914 1.00 32.01 H new ATOM 481 N GLY A 33 24.598 -0.027 2.419 1.00 1.23 N ATOM 482 CA GLY A 33 23.536 0.784 1.848 1.00 10.04 C ATOM 483 C GLY A 33 22.169 0.351 2.382 1.00 52.14 C ATOM 484 O GLY A 33 22.081 -0.538 3.227 1.00 64.10 O ATOM 0 H GLY A 33 24.279 -0.774 3.036 1.00 1.23 H new ATOM 0 HA2 GLY A 33 23.707 1.834 2.086 1.00 10.04 H new ATOM 0 HA3 GLY A 33 23.551 0.696 0.762 1.00 10.04 H new ATOM 488 N GLU A 34 21.135 1.000 1.865 1.00 24.13 N ATOM 489 CA GLU A 34 19.777 0.693 2.279 1.00 54.12 C ATOM 490 C GLU A 34 18.842 0.685 1.067 1.00 22.24 C ATOM 491 O GLU A 34 19.226 1.112 -0.020 1.00 64.54 O ATOM 492 CB GLU A 34 19.290 1.682 3.340 1.00 51.11 C ATOM 493 CG GLU A 34 18.882 3.012 2.703 1.00 12.35 C ATOM 494 CD GLU A 34 19.201 4.185 3.633 1.00 52.34 C ATOM 495 OE1 GLU A 34 20.169 4.119 4.404 1.00 10.25 O ATOM 496 OE2 GLU A 34 18.402 5.193 3.532 1.00 13.14 O ATOM 0 H GLU A 34 21.211 1.737 1.164 1.00 24.13 H new ATOM 0 HA GLU A 34 19.770 -0.301 2.726 1.00 54.12 H new ATOM 0 HB2 GLU A 34 18.442 1.257 3.877 1.00 51.11 H new ATOM 0 HB3 GLU A 34 20.079 1.852 4.073 1.00 51.11 H new ATOM 0 HG2 GLU A 34 19.405 3.141 1.756 1.00 12.35 H new ATOM 0 HG3 GLU A 34 17.815 3.000 2.479 1.00 12.35 H new ATOM 504 N THR A 35 17.633 0.194 1.296 1.00 12.44 N ATOM 505 CA THR A 35 16.641 0.125 0.237 1.00 35.12 C ATOM 506 C THR A 35 15.311 -0.398 0.785 1.00 24.22 C ATOM 507 O THR A 35 15.216 -0.750 1.960 1.00 75.01 O ATOM 508 CB THR A 35 17.213 -0.735 -0.891 1.00 41.03 C ATOM 509 OG1 THR A 35 16.077 -1.066 -1.686 1.00 24.33 O ATOM 510 CG2 THR A 35 17.727 -2.088 -0.394 1.00 1.51 C ATOM 0 H THR A 35 17.318 -0.160 2.199 1.00 12.44 H new ATOM 0 HA THR A 35 16.424 1.114 -0.167 1.00 35.12 H new ATOM 0 HB THR A 35 18.024 -0.197 -1.381 1.00 41.03 H new ATOM 0 HG1 THR A 35 16.362 -1.596 -2.460 1.00 24.33 H new ATOM 0 HG21 THR A 35 18.122 -2.658 -1.235 1.00 1.51 H new ATOM 0 HG22 THR A 35 18.517 -1.930 0.340 1.00 1.51 H new ATOM 0 HG23 THR A 35 16.909 -2.641 0.067 1.00 1.51 H new ATOM 518 N THR A 36 14.319 -0.433 -0.092 1.00 10.21 N ATOM 519 CA THR A 36 12.999 -0.907 0.289 1.00 4.03 C ATOM 520 C THR A 36 12.349 -1.664 -0.870 1.00 63.13 C ATOM 521 O THR A 36 12.653 -1.405 -2.034 1.00 25.23 O ATOM 522 CB THR A 36 12.183 0.297 0.763 1.00 52.14 C ATOM 523 OG1 THR A 36 11.737 0.910 -0.444 1.00 11.10 O ATOM 524 CG2 THR A 36 13.050 1.369 1.426 1.00 23.44 C ATOM 0 H THR A 36 14.403 -0.141 -1.066 1.00 10.21 H new ATOM 0 HA THR A 36 13.057 -1.622 1.110 1.00 4.03 H new ATOM 0 HB THR A 36 11.419 -0.037 1.465 1.00 52.14 H new ATOM 0 HG1 THR A 36 11.198 1.700 -0.230 1.00 11.10 H new ATOM 0 HG21 THR A 36 12.421 2.201 1.743 1.00 23.44 H new ATOM 0 HG22 THR A 36 13.554 0.944 2.294 1.00 23.44 H new ATOM 0 HG23 THR A 36 13.793 1.728 0.714 1.00 23.44 H new ATOM 532 N THR A 37 11.466 -2.585 -0.513 1.00 1.33 N ATOM 533 CA THR A 37 10.770 -3.381 -1.509 1.00 64.31 C ATOM 534 C THR A 37 9.352 -3.707 -1.036 1.00 41.54 C ATOM 535 O THR A 37 9.100 -3.800 0.164 1.00 41.01 O ATOM 536 CB THR A 37 11.616 -4.624 -1.795 1.00 75.20 C ATOM 537 OG1 THR A 37 11.002 -5.205 -2.943 1.00 11.24 O ATOM 538 CG2 THR A 37 11.468 -5.695 -0.712 1.00 11.32 C ATOM 0 H THR A 37 11.217 -2.798 0.453 1.00 1.33 H new ATOM 0 HA THR A 37 10.649 -2.830 -2.442 1.00 64.31 H new ATOM 0 HB THR A 37 12.664 -4.337 -1.882 1.00 75.20 H new ATOM 0 HG1 THR A 37 11.679 -5.675 -3.474 1.00 11.24 H new ATOM 0 HG21 THR A 37 12.089 -6.555 -0.964 1.00 11.32 H new ATOM 0 HG22 THR A 37 11.784 -5.288 0.248 1.00 11.32 H new ATOM 0 HG23 THR A 37 10.425 -6.006 -0.648 1.00 11.32 H new ATOM 546 N CYS A 38 8.463 -3.870 -2.005 1.00 31.02 N ATOM 547 CA CYS A 38 7.076 -4.183 -1.703 1.00 4.22 C ATOM 548 C CYS A 38 6.788 -5.605 -2.187 1.00 24.31 C ATOM 549 O CYS A 38 7.233 -6.000 -3.264 1.00 30.23 O ATOM 550 CB CYS A 38 6.119 -3.164 -2.323 1.00 54.24 C ATOM 551 SG CYS A 38 6.169 -1.501 -1.562 1.00 14.33 S ATOM 0 H CYS A 38 8.676 -3.791 -2.999 1.00 31.02 H new ATOM 0 HA CYS A 38 6.914 -4.127 -0.627 1.00 4.22 H new ATOM 0 HB2 CYS A 38 6.349 -3.069 -3.384 1.00 54.24 H new ATOM 0 HB3 CYS A 38 5.102 -3.551 -2.251 1.00 54.24 H new ATOM 0 HG CYS A 38 5.322 -0.722 -2.166 1.00 14.33 H new ATOM 556 N ALA A 39 6.046 -6.336 -1.368 1.00 43.00 N ATOM 557 CA ALA A 39 5.694 -7.706 -1.699 1.00 73.13 C ATOM 558 C ALA A 39 4.310 -8.025 -1.128 1.00 45.43 C ATOM 559 O ALA A 39 3.894 -7.432 -0.134 1.00 51.01 O ATOM 560 CB ALA A 39 6.774 -8.653 -1.173 1.00 10.03 C ATOM 0 H ALA A 39 5.679 -6.005 -0.476 1.00 43.00 H new ATOM 0 HA ALA A 39 5.643 -7.838 -2.780 1.00 73.13 H new ATOM 0 HB1 ALA A 39 6.509 -9.681 -1.422 1.00 10.03 H new ATOM 0 HB2 ALA A 39 7.731 -8.404 -1.631 1.00 10.03 H new ATOM 0 HB3 ALA A 39 6.852 -8.550 -0.091 1.00 10.03 H new ATOM 566 N VAL A 40 3.637 -8.960 -1.782 1.00 13.33 N ATOM 567 CA VAL A 40 2.309 -9.364 -1.351 1.00 50.04 C ATOM 568 C VAL A 40 2.415 -10.116 -0.023 1.00 70.24 C ATOM 569 O VAL A 40 1.579 -9.942 0.862 1.00 53.45 O ATOM 570 CB VAL A 40 1.630 -10.184 -2.450 1.00 52.13 C ATOM 571 CG1 VAL A 40 1.946 -11.673 -2.298 1.00 30.00 C ATOM 572 CG2 VAL A 40 0.119 -9.942 -2.460 1.00 61.13 C ATOM 0 H VAL A 40 3.986 -9.449 -2.606 1.00 13.33 H new ATOM 0 HA VAL A 40 1.680 -8.490 -1.180 1.00 50.04 H new ATOM 0 HB VAL A 40 2.029 -9.854 -3.409 1.00 52.13 H new ATOM 0 HG11 VAL A 40 1.451 -12.233 -3.092 1.00 30.00 H new ATOM 0 HG12 VAL A 40 3.023 -11.825 -2.364 1.00 30.00 H new ATOM 0 HG13 VAL A 40 1.589 -12.024 -1.330 1.00 30.00 H new ATOM 0 HG21 VAL A 40 -0.339 -10.537 -3.250 1.00 61.13 H new ATOM 0 HG22 VAL A 40 -0.302 -10.232 -1.497 1.00 61.13 H new ATOM 0 HG23 VAL A 40 -0.079 -8.885 -2.640 1.00 61.13 H new ATOM 582 N ASP A 41 3.450 -10.937 0.074 1.00 24.10 N ATOM 583 CA ASP A 41 3.677 -11.717 1.279 1.00 14.33 C ATOM 584 C ASP A 41 5.133 -11.556 1.719 1.00 22.32 C ATOM 585 O ASP A 41 6.031 -11.466 0.884 1.00 44.03 O ATOM 586 CB ASP A 41 3.419 -13.204 1.030 1.00 41.14 C ATOM 587 CG ASP A 41 1.974 -13.559 0.675 1.00 71.42 C ATOM 588 OD1 ASP A 41 1.706 -14.596 0.049 1.00 44.45 O ATOM 589 OD2 ASP A 41 1.090 -12.709 1.075 1.00 74.45 O ATOM 0 H ASP A 41 4.141 -11.079 -0.662 1.00 24.10 H new ATOM 0 HA ASP A 41 2.993 -11.357 2.047 1.00 14.33 H new ATOM 0 HB2 ASP A 41 4.069 -13.540 0.222 1.00 41.14 H new ATOM 0 HB3 ASP A 41 3.706 -13.761 1.922 1.00 41.14 H new ATOM 595 N ALA A 42 5.322 -11.526 3.030 1.00 10.12 N ATOM 596 CA ALA A 42 6.654 -11.378 3.591 1.00 21.03 C ATOM 597 C ALA A 42 7.545 -12.514 3.084 1.00 3.42 C ATOM 598 O ALA A 42 8.770 -12.398 3.094 1.00 31.34 O ATOM 599 CB ALA A 42 6.564 -11.345 5.118 1.00 4.23 C ATOM 0 H ALA A 42 4.575 -11.602 3.720 1.00 10.12 H new ATOM 0 HA ALA A 42 7.103 -10.438 3.270 1.00 21.03 H new ATOM 0 HB1 ALA A 42 7.563 -11.234 5.539 1.00 4.23 H new ATOM 0 HB2 ALA A 42 5.944 -10.504 5.428 1.00 4.23 H new ATOM 0 HB3 ALA A 42 6.120 -12.274 5.476 1.00 4.23 H new ATOM 605 N ALA A 43 6.896 -13.585 2.653 1.00 50.24 N ATOM 606 CA ALA A 43 7.614 -14.740 2.142 1.00 23.35 C ATOM 607 C ALA A 43 8.307 -14.366 0.831 1.00 61.44 C ATOM 608 O ALA A 43 9.466 -14.718 0.614 1.00 33.21 O ATOM 609 CB ALA A 43 6.644 -15.912 1.976 1.00 5.04 C ATOM 0 H ALA A 43 5.880 -13.677 2.647 1.00 50.24 H new ATOM 0 HA ALA A 43 8.386 -15.053 2.845 1.00 23.35 H new ATOM 0 HB1 ALA A 43 7.183 -16.779 1.593 1.00 5.04 H new ATOM 0 HB2 ALA A 43 6.202 -16.158 2.941 1.00 5.04 H new ATOM 0 HB3 ALA A 43 5.856 -15.636 1.276 1.00 5.04 H new ATOM 615 N THR A 44 7.568 -13.658 -0.011 1.00 23.23 N ATOM 616 CA THR A 44 8.097 -13.233 -1.296 1.00 1.35 C ATOM 617 C THR A 44 9.144 -12.134 -1.104 1.00 1.33 C ATOM 618 O THR A 44 10.195 -12.154 -1.743 1.00 54.33 O ATOM 619 CB THR A 44 6.919 -12.804 -2.173 1.00 4.52 C ATOM 620 OG1 THR A 44 6.237 -14.022 -2.458 1.00 11.51 O ATOM 621 CG2 THR A 44 7.366 -12.297 -3.546 1.00 0.44 C ATOM 0 H THR A 44 6.607 -13.368 0.172 1.00 23.23 H new ATOM 0 HA THR A 44 8.616 -14.048 -1.800 1.00 1.35 H new ATOM 0 HB THR A 44 6.353 -12.024 -1.664 1.00 4.52 H new ATOM 0 HG1 THR A 44 5.457 -13.836 -3.022 1.00 11.51 H new ATOM 0 HG21 THR A 44 6.492 -12.006 -4.128 1.00 0.44 H new ATOM 0 HG22 THR A 44 8.022 -11.436 -3.420 1.00 0.44 H new ATOM 0 HG23 THR A 44 7.903 -13.088 -4.069 1.00 0.44 H new ATOM 629 N ALA A 45 8.821 -11.201 -0.220 1.00 41.22 N ATOM 630 CA ALA A 45 9.721 -10.096 0.064 1.00 54.41 C ATOM 631 C ALA A 45 10.996 -10.636 0.714 1.00 11.11 C ATOM 632 O ALA A 45 12.090 -10.141 0.448 1.00 1.24 O ATOM 633 CB ALA A 45 9.006 -9.069 0.946 1.00 62.53 C ATOM 0 H ALA A 45 7.949 -11.188 0.309 1.00 41.22 H new ATOM 0 HA ALA A 45 10.010 -9.590 -0.857 1.00 54.41 H new ATOM 0 HB1 ALA A 45 9.681 -8.240 1.159 1.00 62.53 H new ATOM 0 HB2 ALA A 45 8.124 -8.695 0.426 1.00 62.53 H new ATOM 0 HB3 ALA A 45 8.703 -9.540 1.881 1.00 62.53 H new ATOM 639 N GLU A 46 10.812 -11.644 1.554 1.00 64.34 N ATOM 640 CA GLU A 46 11.935 -12.257 2.244 1.00 74.12 C ATOM 641 C GLU A 46 12.944 -12.806 1.233 1.00 33.02 C ATOM 642 O GLU A 46 14.136 -12.517 1.322 1.00 61.31 O ATOM 643 CB GLU A 46 11.459 -13.356 3.196 1.00 72.33 C ATOM 644 CG GLU A 46 12.635 -13.967 3.960 1.00 2.32 C ATOM 645 CD GLU A 46 12.449 -15.475 4.140 1.00 13.44 C ATOM 646 OE1 GLU A 46 12.718 -16.007 5.228 1.00 54.14 O ATOM 647 OE2 GLU A 46 12.006 -16.097 3.101 1.00 63.31 O ATOM 0 H GLU A 46 9.903 -12.052 1.772 1.00 64.34 H new ATOM 0 HA GLU A 46 12.430 -11.492 2.843 1.00 74.12 H new ATOM 0 HB2 GLU A 46 10.737 -12.944 3.901 1.00 72.33 H new ATOM 0 HB3 GLU A 46 10.944 -14.133 2.631 1.00 72.33 H new ATOM 0 HG2 GLU A 46 13.563 -13.773 3.422 1.00 2.32 H new ATOM 0 HG3 GLU A 46 12.727 -13.489 4.936 1.00 2.32 H new ATOM 655 N LYS A 47 12.429 -13.588 0.296 1.00 54.33 N ATOM 656 CA LYS A 47 13.270 -14.180 -0.731 1.00 12.43 C ATOM 657 C LYS A 47 13.958 -13.067 -1.524 1.00 74.14 C ATOM 658 O LYS A 47 15.061 -13.254 -2.034 1.00 63.50 O ATOM 659 CB LYS A 47 12.458 -15.143 -1.599 1.00 21.01 C ATOM 660 CG LYS A 47 11.903 -14.432 -2.835 1.00 33.13 C ATOM 661 CD LYS A 47 10.546 -15.013 -3.238 1.00 12.32 C ATOM 662 CE LYS A 47 10.716 -16.169 -4.226 1.00 13.44 C ATOM 663 NZ LYS A 47 11.039 -15.654 -5.575 1.00 42.10 N ATOM 0 H LYS A 47 11.440 -13.826 0.226 1.00 54.33 H new ATOM 0 HA LYS A 47 14.057 -14.783 -0.279 1.00 12.43 H new ATOM 0 HB2 LYS A 47 13.087 -15.978 -1.907 1.00 21.01 H new ATOM 0 HB3 LYS A 47 11.637 -15.560 -1.016 1.00 21.01 H new ATOM 0 HG2 LYS A 47 11.800 -13.366 -2.631 1.00 33.13 H new ATOM 0 HG3 LYS A 47 12.606 -14.531 -3.662 1.00 33.13 H new ATOM 0 HD2 LYS A 47 10.018 -15.363 -2.351 1.00 12.32 H new ATOM 0 HD3 LYS A 47 9.931 -14.233 -3.688 1.00 12.32 H new ATOM 0 HE2 LYS A 47 11.510 -16.834 -3.884 1.00 13.44 H new ATOM 0 HE3 LYS A 47 9.801 -16.759 -4.265 1.00 13.44 H new ATOM 0 HZ1 LYS A 47 10.902 -16.409 -6.277 1.00 42.10 H new ATOM 0 HZ2 LYS A 47 10.413 -14.855 -5.800 1.00 42.10 H new ATOM 0 HZ3 LYS A 47 12.029 -15.336 -5.597 1.00 42.10 H new ATOM 676 N VAL A 48 13.277 -11.933 -1.605 1.00 32.35 N ATOM 677 CA VAL A 48 13.808 -10.791 -2.328 1.00 5.44 C ATOM 678 C VAL A 48 14.967 -10.184 -1.534 1.00 23.34 C ATOM 679 O VAL A 48 15.989 -9.810 -2.107 1.00 60.33 O ATOM 680 CB VAL A 48 12.690 -9.786 -2.614 1.00 63.45 C ATOM 681 CG1 VAL A 48 13.263 -8.443 -3.070 1.00 4.13 C ATOM 682 CG2 VAL A 48 11.707 -10.341 -3.647 1.00 33.22 C ATOM 0 H VAL A 48 12.362 -11.781 -1.181 1.00 32.35 H new ATOM 0 HA VAL A 48 14.203 -11.102 -3.295 1.00 5.44 H new ATOM 0 HB VAL A 48 12.144 -9.619 -1.686 1.00 63.45 H new ATOM 0 HG11 VAL A 48 12.447 -7.747 -3.267 1.00 4.13 H new ATOM 0 HG12 VAL A 48 13.906 -8.037 -2.289 1.00 4.13 H new ATOM 0 HG13 VAL A 48 13.845 -8.586 -3.980 1.00 4.13 H new ATOM 0 HG21 VAL A 48 10.922 -9.608 -3.833 1.00 33.22 H new ATOM 0 HG22 VAL A 48 12.236 -10.550 -4.577 1.00 33.22 H new ATOM 0 HG23 VAL A 48 11.262 -11.261 -3.268 1.00 33.22 H new ATOM 692 N PHE A 49 14.769 -10.106 -0.226 1.00 4.21 N ATOM 693 CA PHE A 49 15.785 -9.551 0.653 1.00 62.32 C ATOM 694 C PHE A 49 17.007 -10.469 0.726 1.00 44.02 C ATOM 695 O PHE A 49 18.144 -9.998 0.712 1.00 15.23 O ATOM 696 CB PHE A 49 15.161 -9.442 2.045 1.00 13.41 C ATOM 697 CG PHE A 49 16.181 -9.426 3.185 1.00 10.42 C ATOM 698 CD1 PHE A 49 17.388 -8.824 3.009 1.00 13.34 C ATOM 699 CD2 PHE A 49 15.881 -10.013 4.374 1.00 20.45 C ATOM 700 CE1 PHE A 49 18.335 -8.809 4.068 1.00 54.24 C ATOM 701 CE2 PHE A 49 16.828 -9.998 5.433 1.00 72.54 C ATOM 702 CZ PHE A 49 18.035 -9.396 5.257 1.00 74.51 C ATOM 0 H PHE A 49 13.920 -10.418 0.246 1.00 4.21 H new ATOM 0 HA PHE A 49 16.113 -8.582 0.277 1.00 62.32 H new ATOM 0 HB2 PHE A 49 14.563 -8.532 2.094 1.00 13.41 H new ATOM 0 HB3 PHE A 49 14.479 -10.280 2.193 1.00 13.41 H new ATOM 0 HD1 PHE A 49 17.626 -8.358 2.065 1.00 13.34 H new ATOM 0 HD2 PHE A 49 14.923 -10.491 4.514 1.00 20.45 H new ATOM 0 HE1 PHE A 49 19.293 -8.331 3.928 1.00 54.24 H new ATOM 0 HE2 PHE A 49 16.590 -10.464 6.377 1.00 72.54 H new ATOM 0 HZ PHE A 49 18.755 -9.384 6.062 1.00 74.51 H new ATOM 712 N LYS A 50 16.732 -11.763 0.802 1.00 43.23 N ATOM 713 CA LYS A 50 17.795 -12.751 0.877 1.00 42.31 C ATOM 714 C LYS A 50 18.604 -12.723 -0.422 1.00 33.52 C ATOM 715 O LYS A 50 19.819 -12.910 -0.404 1.00 44.34 O ATOM 716 CB LYS A 50 17.223 -14.128 1.216 1.00 21.53 C ATOM 717 CG LYS A 50 16.553 -14.120 2.592 1.00 61.21 C ATOM 718 CD LYS A 50 16.257 -15.544 3.066 1.00 21.42 C ATOM 719 CE LYS A 50 14.972 -16.078 2.430 1.00 12.05 C ATOM 720 NZ LYS A 50 14.381 -17.142 3.272 1.00 74.31 N ATOM 0 H LYS A 50 15.788 -12.150 0.813 1.00 43.23 H new ATOM 0 HA LYS A 50 18.484 -12.510 1.687 1.00 42.31 H new ATOM 0 HB2 LYS A 50 16.498 -14.422 0.456 1.00 21.53 H new ATOM 0 HB3 LYS A 50 18.020 -14.871 1.200 1.00 21.53 H new ATOM 0 HG2 LYS A 50 17.200 -13.620 3.313 1.00 61.21 H new ATOM 0 HG3 LYS A 50 15.626 -13.548 2.546 1.00 61.21 H new ATOM 0 HD2 LYS A 50 17.092 -16.197 2.811 1.00 21.42 H new ATOM 0 HD3 LYS A 50 16.162 -15.557 4.152 1.00 21.42 H new ATOM 0 HE2 LYS A 50 14.256 -15.266 2.305 1.00 12.05 H new ATOM 0 HE3 LYS A 50 15.187 -16.470 1.436 1.00 12.05 H new ATOM 0 HZ1 LYS A 50 13.385 -17.280 3.008 1.00 74.31 H new ATOM 0 HZ2 LYS A 50 14.904 -18.029 3.128 1.00 74.31 H new ATOM 0 HZ3 LYS A 50 14.439 -16.865 4.273 1.00 74.31 H new ATOM 733 N GLN A 51 17.896 -12.490 -1.517 1.00 51.12 N ATOM 734 CA GLN A 51 18.533 -12.436 -2.822 1.00 55.12 C ATOM 735 C GLN A 51 19.327 -11.137 -2.972 1.00 23.12 C ATOM 736 O GLN A 51 20.300 -11.084 -3.722 1.00 45.32 O ATOM 737 CB GLN A 51 17.500 -12.579 -3.942 1.00 41.02 C ATOM 738 CG GLN A 51 18.143 -13.140 -5.212 1.00 71.31 C ATOM 739 CD GLN A 51 18.103 -14.670 -5.217 1.00 13.21 C ATOM 740 OE1 GLN A 51 17.191 -15.294 -4.700 1.00 31.21 O ATOM 741 NE2 GLN A 51 19.139 -15.236 -5.828 1.00 62.32 N ATOM 0 H GLN A 51 16.888 -12.336 -1.528 1.00 51.12 H new ATOM 0 HA GLN A 51 19.226 -13.274 -2.901 1.00 55.12 H new ATOM 0 HB2 GLN A 51 16.694 -13.237 -3.617 1.00 41.02 H new ATOM 0 HB3 GLN A 51 17.052 -11.608 -4.155 1.00 41.02 H new ATOM 0 HG2 GLN A 51 17.621 -12.756 -6.088 1.00 71.31 H new ATOM 0 HG3 GLN A 51 19.176 -12.799 -5.282 1.00 71.31 H new ATOM 0 HE21 GLN A 51 19.868 -14.654 -6.240 1.00 62.32 H new ATOM 0 HE22 GLN A 51 19.205 -16.252 -5.885 1.00 62.32 H new ATOM 750 N TYR A 52 18.883 -10.122 -2.246 1.00 1.05 N ATOM 751 CA TYR A 52 19.541 -8.827 -2.288 1.00 72.00 C ATOM 752 C TYR A 52 20.920 -8.891 -1.629 1.00 1.32 C ATOM 753 O TYR A 52 21.917 -8.490 -2.228 1.00 22.44 O ATOM 754 CB TYR A 52 18.650 -7.875 -1.488 1.00 33.03 C ATOM 755 CG TYR A 52 18.548 -6.470 -2.083 1.00 51.54 C ATOM 756 CD1 TYR A 52 17.565 -6.182 -3.009 1.00 3.22 C ATOM 757 CD2 TYR A 52 19.439 -5.489 -1.695 1.00 73.34 C ATOM 758 CE1 TYR A 52 17.469 -4.859 -3.569 1.00 44.15 C ATOM 759 CE2 TYR A 52 19.343 -4.166 -2.256 1.00 71.42 C ATOM 760 CZ TYR A 52 18.363 -3.917 -3.166 1.00 0.55 C ATOM 761 OH TYR A 52 18.272 -2.667 -3.695 1.00 65.11 O ATOM 0 H TYR A 52 18.075 -10.170 -1.625 1.00 1.05 H new ATOM 0 HA TYR A 52 19.681 -8.501 -3.319 1.00 72.00 H new ATOM 0 HB2 TYR A 52 17.650 -8.302 -1.419 1.00 33.03 H new ATOM 0 HB3 TYR A 52 19.036 -7.801 -0.471 1.00 33.03 H new ATOM 0 HD1 TYR A 52 16.868 -6.949 -3.313 1.00 3.22 H new ATOM 0 HD2 TYR A 52 20.208 -5.714 -0.971 1.00 73.34 H new ATOM 0 HE1 TYR A 52 16.704 -4.620 -4.293 1.00 44.15 H new ATOM 0 HE2 TYR A 52 20.033 -3.389 -1.961 1.00 71.42 H new ATOM 0 HH TYR A 52 18.974 -2.099 -3.315 1.00 65.11 H new ATOM 771 N ALA A 53 20.933 -9.397 -0.405 1.00 13.25 N ATOM 772 CA ALA A 53 22.173 -9.518 0.342 1.00 22.04 C ATOM 773 C ALA A 53 23.141 -10.419 -0.427 1.00 41.24 C ATOM 774 O ALA A 53 24.347 -10.177 -0.434 1.00 62.34 O ATOM 775 CB ALA A 53 21.874 -10.048 1.746 1.00 23.51 C ATOM 0 H ALA A 53 20.104 -9.728 0.088 1.00 13.25 H new ATOM 0 HA ALA A 53 22.649 -8.544 0.456 1.00 22.04 H new ATOM 0 HB1 ALA A 53 22.804 -10.139 2.306 1.00 23.51 H new ATOM 0 HB2 ALA A 53 21.206 -9.357 2.261 1.00 23.51 H new ATOM 0 HB3 ALA A 53 21.398 -11.026 1.672 1.00 23.51 H new ATOM 781 N ASN A 54 22.576 -11.439 -1.057 1.00 43.51 N ATOM 782 CA ASN A 54 23.374 -12.377 -1.828 1.00 42.43 C ATOM 783 C ASN A 54 23.964 -11.659 -3.044 1.00 5.33 C ATOM 784 O ASN A 54 25.100 -11.925 -3.435 1.00 53.25 O ATOM 785 CB ASN A 54 22.520 -13.540 -2.335 1.00 54.23 C ATOM 786 CG ASN A 54 23.269 -14.350 -3.394 1.00 64.44 C ATOM 787 OD1 ASN A 54 24.434 -14.684 -3.249 1.00 10.32 O ATOM 788 ND2 ASN A 54 22.539 -14.648 -4.465 1.00 42.44 N ATOM 0 H ASN A 54 21.575 -11.636 -1.049 1.00 43.51 H new ATOM 0 HA ASN A 54 24.161 -12.763 -1.179 1.00 42.43 H new ATOM 0 HB2 ASN A 54 22.249 -14.188 -1.501 1.00 54.23 H new ATOM 0 HB3 ASN A 54 21.590 -13.157 -2.756 1.00 54.23 H new ATOM 0 HD21 ASN A 54 22.949 -15.187 -5.228 1.00 42.44 H new ATOM 0 HD22 ASN A 54 21.569 -14.338 -4.524 1.00 42.44 H new ATOM 795 N ASP A 55 23.167 -10.763 -3.606 1.00 41.45 N ATOM 796 CA ASP A 55 23.596 -10.004 -4.769 1.00 64.53 C ATOM 797 C ASP A 55 24.750 -9.080 -4.373 1.00 74.40 C ATOM 798 O ASP A 55 25.525 -8.649 -5.225 1.00 23.42 O ATOM 799 CB ASP A 55 22.459 -9.136 -5.311 1.00 4.11 C ATOM 800 CG ASP A 55 22.903 -7.959 -6.182 1.00 2.22 C ATOM 801 OD1 ASP A 55 23.340 -6.916 -5.672 1.00 63.41 O ATOM 802 OD2 ASP A 55 22.784 -8.146 -7.453 1.00 4.43 O ATOM 0 H ASP A 55 22.226 -10.545 -3.278 1.00 41.45 H new ATOM 0 HA ASP A 55 23.906 -10.712 -5.538 1.00 64.53 H new ATOM 0 HB2 ASP A 55 21.787 -9.766 -5.893 1.00 4.11 H new ATOM 0 HB3 ASP A 55 21.884 -8.749 -4.469 1.00 4.11 H new ATOM 808 N ASN A 56 24.826 -8.803 -3.080 1.00 31.33 N ATOM 809 CA ASN A 56 25.871 -7.938 -2.560 1.00 64.30 C ATOM 810 C ASN A 56 27.074 -8.790 -2.147 1.00 54.20 C ATOM 811 O ASN A 56 28.184 -8.278 -2.011 1.00 71.23 O ATOM 812 CB ASN A 56 25.389 -7.171 -1.327 1.00 65.31 C ATOM 813 CG ASN A 56 24.294 -6.169 -1.698 1.00 64.30 C ATOM 814 OD1 ASN A 56 24.196 -5.086 -1.146 1.00 55.31 O ATOM 815 ND2 ASN A 56 23.480 -6.590 -2.661 1.00 72.24 N ATOM 0 H ASN A 56 24.181 -9.162 -2.377 1.00 31.33 H new ATOM 0 HA ASN A 56 26.142 -7.229 -3.342 1.00 64.30 H new ATOM 0 HB2 ASN A 56 25.009 -7.872 -0.584 1.00 65.31 H new ATOM 0 HB3 ASN A 56 26.228 -6.646 -0.870 1.00 65.31 H new ATOM 0 HD21 ASN A 56 22.717 -5.994 -2.980 1.00 72.24 H new ATOM 0 HD22 ASN A 56 23.619 -7.509 -3.081 1.00 72.24 H new ATOM 822 N GLY A 57 26.811 -10.075 -1.959 1.00 3.22 N ATOM 823 CA GLY A 57 27.858 -11.002 -1.564 1.00 71.30 C ATOM 824 C GLY A 57 28.261 -10.785 -0.104 1.00 72.30 C ATOM 825 O GLY A 57 29.402 -11.046 0.274 1.00 33.32 O ATOM 0 H GLY A 57 25.889 -10.496 -2.073 1.00 3.22 H new ATOM 0 HA2 GLY A 57 27.512 -12.027 -1.701 1.00 71.30 H new ATOM 0 HA3 GLY A 57 28.727 -10.870 -2.208 1.00 71.30 H new ATOM 829 N VAL A 58 27.302 -10.310 0.677 1.00 53.23 N ATOM 830 CA VAL A 58 27.542 -10.055 2.087 1.00 42.21 C ATOM 831 C VAL A 58 26.606 -10.928 2.925 1.00 5.34 C ATOM 832 O VAL A 58 25.408 -10.997 2.656 1.00 44.24 O ATOM 833 CB VAL A 58 27.391 -8.561 2.382 1.00 73.12 C ATOM 834 CG1 VAL A 58 27.379 -8.298 3.889 1.00 72.30 C ATOM 835 CG2 VAL A 58 28.491 -7.752 1.693 1.00 40.24 C ATOM 0 H VAL A 58 26.357 -10.095 0.360 1.00 53.23 H new ATOM 0 HA VAL A 58 28.564 -10.323 2.355 1.00 42.21 H new ATOM 0 HB VAL A 58 26.433 -8.235 1.978 1.00 73.12 H new ATOM 0 HG11 VAL A 58 27.271 -7.229 4.071 1.00 72.30 H new ATOM 0 HG12 VAL A 58 26.544 -8.830 4.345 1.00 72.30 H new ATOM 0 HG13 VAL A 58 28.314 -8.648 4.327 1.00 72.30 H new ATOM 0 HG21 VAL A 58 28.360 -6.694 1.919 1.00 40.24 H new ATOM 0 HG22 VAL A 58 29.465 -8.082 2.053 1.00 40.24 H new ATOM 0 HG23 VAL A 58 28.432 -7.903 0.615 1.00 40.24 H new ATOM 845 N ASP A 59 27.189 -11.572 3.926 1.00 72.43 N ATOM 846 CA ASP A 59 26.422 -12.438 4.805 1.00 30.15 C ATOM 847 C ASP A 59 26.981 -12.338 6.226 1.00 13.13 C ATOM 848 O ASP A 59 28.191 -12.220 6.414 1.00 15.05 O ATOM 849 CB ASP A 59 26.518 -13.899 4.362 1.00 62.04 C ATOM 850 CG ASP A 59 27.828 -14.601 4.726 1.00 42.42 C ATOM 851 OD1 ASP A 59 28.921 -14.146 4.354 1.00 34.43 O ATOM 852 OD2 ASP A 59 27.695 -15.672 5.431 1.00 31.33 O ATOM 0 H ASP A 59 28.183 -11.511 4.147 1.00 72.43 H new ATOM 0 HA ASP A 59 25.381 -12.118 4.768 1.00 30.15 H new ATOM 0 HB2 ASP A 59 25.691 -14.453 4.807 1.00 62.04 H new ATOM 0 HB3 ASP A 59 26.387 -13.944 3.281 1.00 62.04 H new ATOM 858 N GLY A 60 26.073 -12.389 7.190 1.00 52.51 N ATOM 859 CA GLY A 60 26.460 -12.305 8.588 1.00 52.11 C ATOM 860 C GLY A 60 25.244 -12.462 9.504 1.00 62.23 C ATOM 861 O GLY A 60 24.592 -13.505 9.502 1.00 71.02 O ATOM 0 H GLY A 60 25.070 -12.487 7.030 1.00 52.51 H new ATOM 0 HA2 GLY A 60 27.192 -13.080 8.814 1.00 52.11 H new ATOM 0 HA3 GLY A 60 26.942 -11.346 8.779 1.00 52.11 H new ATOM 865 N GLU A 61 24.976 -11.411 10.264 1.00 4.03 N ATOM 866 CA GLU A 61 23.851 -11.419 11.183 1.00 33.21 C ATOM 867 C GLU A 61 22.616 -10.810 10.516 1.00 44.53 C ATOM 868 O GLU A 61 22.588 -9.614 10.229 1.00 43.32 O ATOM 869 CB GLU A 61 24.195 -10.681 12.478 1.00 13.12 C ATOM 870 CG GLU A 61 23.289 -11.135 13.625 1.00 2.41 C ATOM 871 CD GLU A 61 23.848 -10.684 14.976 1.00 11.41 C ATOM 872 OE1 GLU A 61 23.075 -10.370 15.893 1.00 14.22 O ATOM 873 OE2 GLU A 61 25.135 -10.667 15.055 1.00 4.45 O ATOM 0 H GLU A 61 25.519 -10.548 10.262 1.00 4.03 H new ATOM 0 HA GLU A 61 23.627 -12.454 11.442 1.00 33.21 H new ATOM 0 HB2 GLU A 61 25.237 -10.864 12.739 1.00 13.12 H new ATOM 0 HB3 GLU A 61 24.087 -9.607 12.328 1.00 13.12 H new ATOM 0 HG2 GLU A 61 22.288 -10.726 13.487 1.00 2.41 H new ATOM 0 HG3 GLU A 61 23.194 -12.221 13.611 1.00 2.41 H new ATOM 881 N TRP A 62 21.626 -11.659 10.288 1.00 73.31 N ATOM 882 CA TRP A 62 20.392 -11.219 9.660 1.00 73.14 C ATOM 883 C TRP A 62 19.375 -10.931 10.766 1.00 75.24 C ATOM 884 O TRP A 62 19.093 -11.795 11.595 1.00 1.42 O ATOM 885 CB TRP A 62 19.895 -12.250 8.644 1.00 21.45 C ATOM 886 CG TRP A 62 20.839 -12.462 7.459 1.00 4.23 C ATOM 887 CD1 TRP A 62 22.117 -12.866 7.484 1.00 10.51 C ATOM 888 CD2 TRP A 62 20.527 -12.263 6.065 1.00 54.45 C ATOM 889 NE1 TRP A 62 22.648 -12.941 6.213 1.00 44.34 N ATOM 890 CE2 TRP A 62 21.650 -12.563 5.322 1.00 4.40 C ATOM 891 CE3 TRP A 62 19.333 -11.843 5.451 1.00 63.03 C ATOM 892 CZ2 TRP A 62 21.692 -12.475 3.925 1.00 4.24 C ATOM 893 CZ3 TRP A 62 19.392 -11.760 4.054 1.00 33.42 C ATOM 894 CH2 TRP A 62 20.515 -12.059 3.292 1.00 2.32 C ATOM 0 H TRP A 62 21.653 -12.650 10.527 1.00 73.31 H new ATOM 0 HA TRP A 62 20.555 -10.304 9.090 1.00 73.14 H new ATOM 0 HB2 TRP A 62 19.747 -13.203 9.152 1.00 21.45 H new ATOM 0 HB3 TRP A 62 18.922 -11.934 8.268 1.00 21.45 H new ATOM 0 HD1 TRP A 62 22.662 -13.103 8.386 1.00 10.51 H new ATOM 0 HE1 TRP A 62 23.598 -13.222 5.971 1.00 44.34 H new ATOM 0 HE3 TRP A 62 18.442 -11.604 6.012 1.00 63.03 H new ATOM 0 HZ2 TRP A 62 22.584 -12.715 3.366 1.00 4.24 H new ATOM 0 HZ3 TRP A 62 18.502 -11.441 3.532 1.00 33.42 H new ATOM 0 HH2 TRP A 62 20.480 -11.971 2.216 1.00 2.32 H new ATOM 905 N THR A 63 18.851 -9.714 10.742 1.00 71.42 N ATOM 906 CA THR A 63 17.871 -9.302 11.732 1.00 10.22 C ATOM 907 C THR A 63 16.676 -8.630 11.053 1.00 61.24 C ATOM 908 O THR A 63 16.850 -7.772 10.189 1.00 63.13 O ATOM 909 CB THR A 63 18.576 -8.402 12.749 1.00 64.11 C ATOM 910 OG1 THR A 63 17.523 -7.929 13.584 1.00 70.31 O ATOM 911 CG2 THR A 63 19.145 -7.133 12.112 1.00 42.50 C ATOM 0 H THR A 63 19.087 -9.000 10.052 1.00 71.42 H new ATOM 0 HA THR A 63 17.462 -10.161 12.264 1.00 10.22 H new ATOM 0 HB THR A 63 19.380 -8.959 13.230 1.00 64.11 H new ATOM 0 HG1 THR A 63 17.892 -7.339 14.274 1.00 70.31 H new ATOM 0 HG21 THR A 63 19.634 -6.530 12.877 1.00 42.50 H new ATOM 0 HG22 THR A 63 19.870 -7.405 11.345 1.00 42.50 H new ATOM 0 HG23 THR A 63 18.336 -6.559 11.660 1.00 42.50 H new ATOM 919 N TYR A 64 15.489 -9.046 11.469 1.00 71.25 N ATOM 920 CA TYR A 64 14.265 -8.496 10.911 1.00 44.33 C ATOM 921 C TYR A 64 13.250 -8.188 12.013 1.00 32.52 C ATOM 922 O TYR A 64 13.026 -9.009 12.902 1.00 51.11 O ATOM 923 CB TYR A 64 13.694 -9.580 9.995 1.00 30.23 C ATOM 924 CG TYR A 64 12.172 -9.531 9.847 1.00 41.34 C ATOM 925 CD1 TYR A 64 11.590 -8.600 9.010 1.00 3.22 C ATOM 926 CD2 TYR A 64 11.381 -10.417 10.549 1.00 31.10 C ATOM 927 CE1 TYR A 64 10.158 -8.553 8.870 1.00 31.34 C ATOM 928 CE2 TYR A 64 9.948 -10.370 10.409 1.00 24.52 C ATOM 929 CZ TYR A 64 9.408 -9.441 9.577 1.00 54.12 C ATOM 930 OH TYR A 64 8.055 -9.397 9.445 1.00 52.13 O ATOM 0 H TYR A 64 15.349 -9.758 12.186 1.00 71.25 H new ATOM 0 HA TYR A 64 14.469 -7.566 10.380 1.00 44.33 H new ATOM 0 HB2 TYR A 64 14.148 -9.484 9.009 1.00 30.23 H new ATOM 0 HB3 TYR A 64 13.980 -10.557 10.384 1.00 30.23 H new ATOM 0 HD1 TYR A 64 12.209 -7.907 8.460 1.00 3.22 H new ATOM 0 HD2 TYR A 64 11.836 -11.146 11.203 1.00 31.10 H new ATOM 0 HE1 TYR A 64 9.690 -7.830 8.219 1.00 31.34 H new ATOM 0 HE2 TYR A 64 9.317 -11.057 10.953 1.00 24.52 H new ATOM 0 HH TYR A 64 7.763 -8.464 9.376 1.00 52.13 H new ATOM 940 N ASP A 65 12.662 -7.005 11.919 1.00 4.43 N ATOM 941 CA ASP A 65 11.676 -6.579 12.898 1.00 40.14 C ATOM 942 C ASP A 65 10.329 -6.374 12.201 1.00 20.35 C ATOM 943 O ASP A 65 10.153 -5.415 11.452 1.00 70.11 O ATOM 944 CB ASP A 65 12.080 -5.253 13.546 1.00 75.14 C ATOM 945 CG ASP A 65 12.841 -5.384 14.866 1.00 11.02 C ATOM 946 OD1 ASP A 65 13.478 -6.413 15.137 1.00 53.10 O ATOM 947 OD2 ASP A 65 12.761 -4.359 15.645 1.00 3.13 O ATOM 0 H ASP A 65 12.849 -6.328 11.180 1.00 4.43 H new ATOM 0 HA ASP A 65 11.608 -7.349 13.666 1.00 40.14 H new ATOM 0 HB2 ASP A 65 12.697 -4.695 12.842 1.00 75.14 H new ATOM 0 HB3 ASP A 65 11.181 -4.662 13.720 1.00 75.14 H new ATOM 953 N ASP A 66 9.413 -7.292 12.474 1.00 12.32 N ATOM 954 CA ASP A 66 8.087 -7.224 11.883 1.00 10.04 C ATOM 955 C ASP A 66 7.381 -5.956 12.368 1.00 24.04 C ATOM 956 O ASP A 66 6.431 -5.492 11.741 1.00 51.52 O ATOM 957 CB ASP A 66 7.237 -8.426 12.299 1.00 71.33 C ATOM 958 CG ASP A 66 5.957 -8.625 11.484 1.00 31.45 C ATOM 959 OD1 ASP A 66 5.959 -8.501 10.251 1.00 51.22 O ATOM 960 OD2 ASP A 66 4.911 -8.925 12.178 1.00 51.23 O ATOM 0 H ASP A 66 9.563 -8.086 13.096 1.00 12.32 H new ATOM 0 HA ASP A 66 8.201 -7.220 10.799 1.00 10.04 H new ATOM 0 HB2 ASP A 66 7.845 -9.327 12.219 1.00 71.33 H new ATOM 0 HB3 ASP A 66 6.968 -8.316 13.349 1.00 71.33 H new ATOM 966 N ALA A 67 7.874 -5.432 13.481 1.00 32.13 N ATOM 967 CA ALA A 67 7.302 -4.227 14.058 1.00 43.13 C ATOM 968 C ALA A 67 7.428 -3.078 13.055 1.00 31.11 C ATOM 969 O ALA A 67 6.600 -2.168 13.041 1.00 25.14 O ATOM 970 CB ALA A 67 7.994 -3.919 15.387 1.00 4.11 C ATOM 0 H ALA A 67 8.663 -5.820 13.998 1.00 32.13 H new ATOM 0 HA ALA A 67 6.242 -4.368 14.268 1.00 43.13 H new ATOM 0 HB1 ALA A 67 7.565 -3.015 15.820 1.00 4.11 H new ATOM 0 HB2 ALA A 67 7.851 -4.753 16.074 1.00 4.11 H new ATOM 0 HB3 ALA A 67 9.060 -3.769 15.216 1.00 4.11 H new ATOM 976 N THR A 68 8.470 -3.158 12.240 1.00 15.52 N ATOM 977 CA THR A 68 8.714 -2.136 11.236 1.00 2.35 C ATOM 978 C THR A 68 9.042 -2.780 9.888 1.00 24.23 C ATOM 979 O THR A 68 9.486 -2.102 8.963 1.00 3.44 O ATOM 980 CB THR A 68 9.822 -1.218 11.757 1.00 52.52 C ATOM 981 OG1 THR A 68 10.933 -2.088 11.948 1.00 23.43 O ATOM 982 CG2 THR A 68 9.526 -0.678 13.158 1.00 75.14 C ATOM 0 H THR A 68 9.154 -3.914 12.254 1.00 15.52 H new ATOM 0 HA THR A 68 7.824 -1.531 11.063 1.00 2.35 H new ATOM 0 HB THR A 68 9.955 -0.384 11.068 1.00 52.52 H new ATOM 0 HG1 THR A 68 11.697 -1.574 12.283 1.00 23.43 H new ATOM 0 HG21 THR A 68 10.344 -0.033 13.479 1.00 75.14 H new ATOM 0 HG22 THR A 68 8.598 -0.106 13.139 1.00 75.14 H new ATOM 0 HG23 THR A 68 9.425 -1.510 13.855 1.00 75.14 H new ATOM 990 N LYS A 69 8.811 -4.083 9.820 1.00 44.04 N ATOM 991 CA LYS A 69 9.077 -4.827 8.600 1.00 51.21 C ATOM 992 C LYS A 69 10.382 -4.327 7.977 1.00 70.11 C ATOM 993 O LYS A 69 10.399 -3.894 6.826 1.00 74.33 O ATOM 994 CB LYS A 69 7.876 -4.752 7.655 1.00 61.33 C ATOM 995 CG LYS A 69 6.905 -5.906 7.910 1.00 33.44 C ATOM 996 CD LYS A 69 5.892 -5.540 8.997 1.00 53.11 C ATOM 997 CE LYS A 69 4.597 -5.006 8.381 1.00 33.24 C ATOM 998 NZ LYS A 69 3.679 -4.528 9.439 1.00 33.14 N ATOM 0 H LYS A 69 8.443 -4.642 10.589 1.00 44.04 H new ATOM 0 HA LYS A 69 9.214 -5.885 8.821 1.00 51.21 H new ATOM 0 HB2 LYS A 69 7.360 -3.801 7.791 1.00 61.33 H new ATOM 0 HB3 LYS A 69 8.220 -4.783 6.621 1.00 61.33 H new ATOM 0 HG2 LYS A 69 6.380 -6.155 6.988 1.00 33.44 H new ATOM 0 HG3 LYS A 69 7.461 -6.794 8.210 1.00 33.44 H new ATOM 0 HD2 LYS A 69 5.674 -6.417 9.607 1.00 53.11 H new ATOM 0 HD3 LYS A 69 6.320 -4.789 9.660 1.00 53.11 H new ATOM 0 HE2 LYS A 69 4.823 -4.192 7.693 1.00 33.24 H new ATOM 0 HE3 LYS A 69 4.114 -5.791 7.799 1.00 33.24 H new ATOM 0 HZ1 LYS A 69 2.805 -4.169 9.004 1.00 33.14 H new ATOM 0 HZ2 LYS A 69 3.449 -5.314 10.080 1.00 33.14 H new ATOM 0 HZ3 LYS A 69 4.137 -3.765 9.977 1.00 33.14 H new ATOM 1011 N THR A 70 11.444 -4.404 8.765 1.00 0.42 N ATOM 1012 CA THR A 70 12.751 -3.965 8.305 1.00 14.54 C ATOM 1013 C THR A 70 13.803 -5.038 8.586 1.00 25.35 C ATOM 1014 O THR A 70 13.808 -5.643 9.658 1.00 71.25 O ATOM 1015 CB THR A 70 13.059 -2.622 8.971 1.00 43.12 C ATOM 1016 OG1 THR A 70 12.185 -1.703 8.321 1.00 63.22 O ATOM 1017 CG2 THR A 70 14.460 -2.108 8.631 1.00 72.03 C ATOM 0 H THR A 70 11.426 -4.764 9.719 1.00 0.42 H new ATOM 0 HA THR A 70 12.762 -3.819 7.225 1.00 14.54 H new ATOM 0 HB THR A 70 12.961 -2.722 10.052 1.00 43.12 H new ATOM 0 HG1 THR A 70 11.263 -1.871 8.606 1.00 63.22 H new ATOM 0 HG21 THR A 70 14.628 -1.153 9.128 1.00 72.03 H new ATOM 0 HG22 THR A 70 15.204 -2.829 8.969 1.00 72.03 H new ATOM 0 HG23 THR A 70 14.547 -1.976 7.553 1.00 72.03 H new ATOM 1025 N PHE A 71 14.671 -5.242 7.606 1.00 74.52 N ATOM 1026 CA PHE A 71 15.726 -6.233 7.734 1.00 1.21 C ATOM 1027 C PHE A 71 17.106 -5.582 7.616 1.00 72.22 C ATOM 1028 O PHE A 71 17.303 -4.679 6.804 1.00 14.15 O ATOM 1029 CB PHE A 71 15.546 -7.230 6.588 1.00 55.11 C ATOM 1030 CG PHE A 71 14.126 -7.789 6.467 1.00 43.30 C ATOM 1031 CD1 PHE A 71 13.101 -6.970 6.109 1.00 42.30 C ATOM 1032 CD2 PHE A 71 13.890 -9.104 6.717 1.00 31.35 C ATOM 1033 CE1 PHE A 71 11.784 -7.488 5.997 1.00 61.32 C ATOM 1034 CE2 PHE A 71 12.573 -9.623 6.605 1.00 13.14 C ATOM 1035 CZ PHE A 71 11.548 -8.804 6.247 1.00 14.14 C ATOM 0 H PHE A 71 14.665 -4.738 6.719 1.00 74.52 H new ATOM 0 HA PHE A 71 15.664 -6.718 8.708 1.00 1.21 H new ATOM 0 HB2 PHE A 71 15.815 -6.743 5.651 1.00 55.11 H new ATOM 0 HB3 PHE A 71 16.241 -8.058 6.728 1.00 55.11 H new ATOM 0 HD1 PHE A 71 13.289 -5.925 5.910 1.00 42.30 H new ATOM 0 HD2 PHE A 71 14.704 -9.754 7.001 1.00 31.35 H new ATOM 0 HE1 PHE A 71 10.970 -6.837 5.713 1.00 61.32 H new ATOM 0 HE2 PHE A 71 12.385 -10.668 6.804 1.00 13.14 H new ATOM 0 HZ PHE A 71 10.546 -9.199 6.161 1.00 14.14 H new ATOM 1045 N THR A 72 18.026 -6.067 8.437 1.00 13.20 N ATOM 1046 CA THR A 72 19.381 -5.544 8.435 1.00 43.33 C ATOM 1047 C THR A 72 20.395 -6.689 8.412 1.00 31.52 C ATOM 1048 O THR A 72 20.257 -7.660 9.155 1.00 11.25 O ATOM 1049 CB THR A 72 19.534 -4.621 9.645 1.00 1.23 C ATOM 1050 OG1 THR A 72 18.278 -3.954 9.734 1.00 41.30 O ATOM 1051 CG2 THR A 72 20.538 -3.493 9.399 1.00 24.20 C ATOM 0 H THR A 72 17.859 -6.817 9.108 1.00 13.20 H new ATOM 0 HA THR A 72 19.578 -4.960 7.536 1.00 43.33 H new ATOM 0 HB THR A 72 19.850 -5.206 10.509 1.00 1.23 H new ATOM 0 HG1 THR A 72 18.289 -3.336 10.494 1.00 41.30 H new ATOM 0 HG21 THR A 72 20.608 -2.868 10.289 1.00 24.20 H new ATOM 0 HG22 THR A 72 21.516 -3.919 9.177 1.00 24.20 H new ATOM 0 HG23 THR A 72 20.206 -2.888 8.556 1.00 24.20 H new ATOM 1059 N VAL A 73 21.391 -6.539 7.552 1.00 71.15 N ATOM 1060 CA VAL A 73 22.427 -7.549 7.422 1.00 24.24 C ATOM 1061 C VAL A 73 23.759 -6.973 7.908 1.00 13.44 C ATOM 1062 O VAL A 73 24.259 -5.998 7.348 1.00 34.24 O ATOM 1063 CB VAL A 73 22.487 -8.057 5.980 1.00 14.23 C ATOM 1064 CG1 VAL A 73 23.801 -7.652 5.310 1.00 23.43 C ATOM 1065 CG2 VAL A 73 22.286 -9.573 5.924 1.00 50.40 C ATOM 0 H VAL A 73 21.503 -5.732 6.938 1.00 71.15 H new ATOM 0 HA VAL A 73 22.198 -8.412 8.047 1.00 24.24 H new ATOM 0 HB VAL A 73 21.672 -7.591 5.426 1.00 14.23 H new ATOM 0 HG11 VAL A 73 23.818 -8.026 4.286 1.00 23.43 H new ATOM 0 HG12 VAL A 73 23.885 -6.565 5.301 1.00 23.43 H new ATOM 0 HG13 VAL A 73 24.638 -8.076 5.865 1.00 23.43 H new ATOM 0 HG21 VAL A 73 22.333 -9.908 4.888 1.00 50.40 H new ATOM 0 HG22 VAL A 73 23.069 -10.065 6.501 1.00 50.40 H new ATOM 0 HG23 VAL A 73 21.312 -9.827 6.343 1.00 50.40 H new ATOM 1075 N THR A 74 24.295 -7.599 8.945 1.00 30.04 N ATOM 1076 CA THR A 74 25.559 -7.160 9.513 1.00 34.40 C ATOM 1077 C THR A 74 26.669 -8.157 9.175 1.00 4.31 C ATOM 1078 O THR A 74 26.600 -9.323 9.558 1.00 34.35 O ATOM 1079 CB THR A 74 25.358 -6.961 11.017 1.00 74.44 C ATOM 1080 OG1 THR A 74 24.056 -6.390 11.120 1.00 24.03 O ATOM 1081 CG2 THR A 74 26.283 -5.888 11.594 1.00 32.31 C ATOM 0 H THR A 74 23.877 -8.407 9.407 1.00 30.04 H new ATOM 0 HA THR A 74 25.877 -6.209 9.085 1.00 34.40 H new ATOM 0 HB THR A 74 25.530 -7.905 11.535 1.00 74.44 H new ATOM 0 HG1 THR A 74 23.843 -6.229 12.063 1.00 24.03 H new ATOM 0 HG21 THR A 74 26.100 -5.787 12.664 1.00 32.31 H new ATOM 0 HG22 THR A 74 27.321 -6.176 11.429 1.00 32.31 H new ATOM 0 HG23 THR A 74 26.088 -4.936 11.101 1.00 32.31 H new ATOM 1089 N GLU A 75 27.669 -7.660 8.461 1.00 54.13 N ATOM 1090 CA GLU A 75 28.793 -8.492 8.067 1.00 52.13 C ATOM 1091 C GLU A 75 29.892 -8.437 9.129 1.00 2.35 C ATOM 1092 O GLU A 75 29.897 -7.545 9.977 1.00 44.14 O ATOM 1093 CB GLU A 75 29.332 -8.072 6.698 1.00 61.52 C ATOM 1094 CG GLU A 75 29.963 -9.261 5.969 1.00 13.02 C ATOM 1095 CD GLU A 75 31.247 -9.714 6.667 1.00 13.53 C ATOM 1096 OE1 GLU A 75 32.197 -8.926 6.788 1.00 22.32 O ATOM 1097 OE2 GLU A 75 31.236 -10.931 7.094 1.00 74.15 O ATOM 0 H GLU A 75 27.724 -6.692 8.145 1.00 54.13 H new ATOM 0 HA GLU A 75 28.446 -9.522 7.984 1.00 52.13 H new ATOM 0 HB2 GLU A 75 28.523 -7.659 6.096 1.00 61.52 H new ATOM 0 HB3 GLU A 75 30.073 -7.282 6.821 1.00 61.52 H new ATOM 0 HG2 GLU A 75 29.254 -10.088 5.933 1.00 13.02 H new ATOM 0 HG3 GLU A 75 30.184 -8.985 4.938 1.00 13.02 H new