USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 429 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 65:sc= 0.0993 USER MOD Single : A 3 GLN : amide:sc= -4.12! C(o=-4.1!,f=-11!) USER MOD Single : A 7 TYR OH : rot 5:sc= -6.15! USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -7.07! (180deg=-8.29!) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= -0.022 (180deg=-0.236) USER MOD Single : A 21 LYS NZ :NH3+ -139:sc= -2.67! (180deg=-5.43!) USER MOD Single : A 25 TYR OH : rot 33:sc= -2.6! USER MOD Single : A 30 LYS NZ :NH3+ -141:sc= -0.416! (180deg=-1.93) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.849 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.0022) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -140:sc= 0.0875 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.458 -0.593 7.652 1.00 8.06 N ATOM 2 CA GLY A 1 -19.729 0.236 6.655 1.00 7.57 C ATOM 3 C GLY A 1 -20.529 1.442 6.205 1.00 6.85 C ATOM 4 O GLY A 1 -20.614 1.729 5.011 1.00 7.15 O ATOM 0 H1 GLY A 1 -19.868 -1.404 7.927 1.00 8.06 H new ATOM 0 H2 GLY A 1 -20.670 -0.019 8.493 1.00 8.06 H new ATOM 0 H3 GLY A 1 -21.346 -0.937 7.235 1.00 8.06 H new ATOM 0 HA2 GLY A 1 -18.785 0.571 7.086 1.00 7.57 H new ATOM 0 HA3 GLY A 1 -19.484 -0.377 5.788 1.00 7.57 H new ATOM 10 N SER A 2 -21.119 2.149 7.163 1.00 6.18 N ATOM 11 CA SER A 2 -21.920 3.335 6.864 1.00 5.72 C ATOM 12 C SER A 2 -21.038 4.561 6.633 1.00 4.72 C ATOM 13 O SER A 2 -21.240 5.605 7.253 1.00 4.80 O ATOM 14 CB SER A 2 -22.903 3.610 8.004 1.00 6.23 C ATOM 15 OG SER A 2 -22.219 3.826 9.226 1.00 6.61 O ATOM 0 H SER A 2 -21.059 1.922 8.156 1.00 6.18 H new ATOM 0 HA SER A 2 -22.475 3.139 5.947 1.00 5.72 H new ATOM 0 HB2 SER A 2 -23.509 4.484 7.763 1.00 6.23 H new ATOM 0 HB3 SER A 2 -23.587 2.768 8.110 1.00 6.23 H new ATOM 0 HG SER A 2 -21.678 4.640 9.159 1.00 6.61 H new ATOM 21 N GLN A 3 -20.061 4.432 5.741 1.00 4.14 N ATOM 22 CA GLN A 3 -19.153 5.531 5.432 1.00 3.35 C ATOM 23 C GLN A 3 -19.916 6.677 4.760 1.00 2.59 C ATOM 24 O GLN A 3 -21.101 6.866 5.030 1.00 2.90 O ATOM 25 CB GLN A 3 -18.030 5.023 4.533 1.00 3.86 C ATOM 26 CG GLN A 3 -17.317 3.800 5.087 1.00 4.58 C ATOM 27 CD GLN A 3 -16.807 4.011 6.499 1.00 5.22 C ATOM 28 OE1 GLN A 3 -16.014 4.915 6.758 1.00 5.66 O ATOM 29 NE2 GLN A 3 -17.263 3.173 7.423 1.00 5.68 N ATOM 0 H GLN A 3 -19.878 3.575 5.218 1.00 4.14 H new ATOM 0 HA GLN A 3 -18.718 5.914 6.355 1.00 3.35 H new ATOM 0 HB2 GLN A 3 -18.441 4.781 3.553 1.00 3.86 H new ATOM 0 HB3 GLN A 3 -17.303 5.822 4.386 1.00 3.86 H new ATOM 0 HG2 GLN A 3 -17.999 2.950 5.074 1.00 4.58 H new ATOM 0 HG3 GLN A 3 -16.480 3.547 4.437 1.00 4.58 H new ATOM 0 HE21 GLN A 3 -17.920 2.437 7.164 1.00 5.68 H new ATOM 0 HE22 GLN A 3 -16.956 3.265 8.391 1.00 5.68 H new ATOM 38 N VAL A 4 -19.255 7.446 3.887 1.00 1.80 N ATOM 39 CA VAL A 4 -19.931 8.544 3.223 1.00 1.52 C ATOM 40 C VAL A 4 -21.081 8.052 2.325 1.00 1.35 C ATOM 41 O VAL A 4 -22.188 7.807 2.804 1.00 1.75 O ATOM 42 CB VAL A 4 -18.940 9.421 2.418 1.00 1.48 C ATOM 43 CG1 VAL A 4 -19.667 10.584 1.764 1.00 2.08 C ATOM 44 CG2 VAL A 4 -17.843 9.931 3.333 1.00 1.97 C ATOM 0 H VAL A 4 -18.274 7.326 3.634 1.00 1.80 H new ATOM 0 HA VAL A 4 -20.367 9.164 4.006 1.00 1.52 H new ATOM 0 HB VAL A 4 -18.492 8.813 1.632 1.00 1.48 H new ATOM 0 HG11 VAL A 4 -18.955 11.189 1.203 1.00 2.08 H new ATOM 0 HG12 VAL A 4 -20.431 10.201 1.087 1.00 2.08 H new ATOM 0 HG13 VAL A 4 -20.138 11.197 2.532 1.00 2.08 H new ATOM 0 HG21 VAL A 4 -17.149 10.547 2.761 1.00 1.97 H new ATOM 0 HG22 VAL A 4 -18.284 10.527 4.132 1.00 1.97 H new ATOM 0 HG23 VAL A 4 -17.307 9.086 3.764 1.00 1.97 H new ATOM 54 N PHE A 5 -20.813 7.938 1.017 1.00 1.32 N ATOM 55 CA PHE A 5 -21.815 7.518 0.080 1.00 1.88 C ATOM 56 C PHE A 5 -22.344 6.113 0.431 1.00 1.68 C ATOM 57 O PHE A 5 -23.118 5.944 1.374 1.00 1.78 O ATOM 58 CB PHE A 5 -21.250 7.605 -1.342 1.00 2.50 C ATOM 59 CG PHE A 5 -21.360 8.972 -1.956 1.00 2.99 C ATOM 60 CD1 PHE A 5 -21.229 10.110 -1.180 1.00 3.34 C ATOM 61 CD2 PHE A 5 -21.591 9.115 -3.316 1.00 3.37 C ATOM 62 CE1 PHE A 5 -21.326 11.368 -1.745 1.00 4.01 C ATOM 63 CE2 PHE A 5 -21.690 10.370 -3.887 1.00 3.96 C ATOM 64 CZ PHE A 5 -21.558 11.497 -3.101 1.00 4.27 C ATOM 0 H PHE A 5 -19.903 8.136 0.602 1.00 1.32 H new ATOM 0 HA PHE A 5 -22.675 8.185 0.136 1.00 1.88 H new ATOM 0 HB2 PHE A 5 -20.201 7.308 -1.325 1.00 2.50 H new ATOM 0 HB3 PHE A 5 -21.774 6.889 -1.975 1.00 2.50 H new ATOM 0 HD1 PHE A 5 -21.049 10.014 -0.119 1.00 3.34 H new ATOM 0 HD2 PHE A 5 -21.695 8.236 -3.936 1.00 3.37 H new ATOM 0 HE1 PHE A 5 -21.221 12.248 -1.128 1.00 4.01 H new ATOM 0 HE2 PHE A 5 -21.870 10.469 -4.947 1.00 3.96 H new ATOM 0 HZ PHE A 5 -21.636 12.478 -3.545 1.00 4.27 H new ATOM 74 N GLU A 6 -21.918 5.117 -0.356 1.00 1.60 N ATOM 75 CA GLU A 6 -22.332 3.744 -0.169 1.00 1.52 C ATOM 76 C GLU A 6 -21.172 2.903 0.352 1.00 1.24 C ATOM 77 O GLU A 6 -21.274 2.214 1.367 1.00 1.24 O ATOM 78 CB GLU A 6 -22.828 3.184 -1.494 1.00 1.66 C ATOM 79 CG GLU A 6 -24.110 3.833 -1.989 1.00 2.10 C ATOM 80 CD GLU A 6 -25.255 3.687 -1.005 1.00 2.44 C ATOM 81 OE1 GLU A 6 -25.625 2.536 -0.691 1.00 2.84 O ATOM 82 OE2 GLU A 6 -25.781 4.724 -0.548 1.00 2.75 O ATOM 0 H GLU A 6 -21.277 5.253 -1.137 1.00 1.60 H new ATOM 0 HA GLU A 6 -23.137 3.711 0.566 1.00 1.52 H new ATOM 0 HB2 GLU A 6 -22.051 3.314 -2.247 1.00 1.66 H new ATOM 0 HB3 GLU A 6 -22.992 2.112 -1.387 1.00 1.66 H new ATOM 0 HG2 GLU A 6 -23.929 4.892 -2.175 1.00 2.10 H new ATOM 0 HG3 GLU A 6 -24.395 3.386 -2.941 1.00 2.10 H new ATOM 89 N TYR A 7 -20.069 2.982 -0.384 1.00 1.11 N ATOM 90 CA TYR A 7 -18.844 2.257 -0.074 1.00 0.94 C ATOM 91 C TYR A 7 -19.083 0.759 0.086 1.00 0.89 C ATOM 92 O TYR A 7 -18.441 0.093 0.898 1.00 1.24 O ATOM 93 CB TYR A 7 -18.160 2.848 1.158 1.00 1.04 C ATOM 94 CG TYR A 7 -16.869 3.576 0.832 1.00 0.98 C ATOM 95 CD1 TYR A 7 -16.011 3.113 -0.160 1.00 0.85 C ATOM 96 CD2 TYR A 7 -16.514 4.739 1.509 1.00 1.26 C ATOM 97 CE1 TYR A 7 -14.846 3.785 -0.465 1.00 1.02 C ATOM 98 CE2 TYR A 7 -15.351 5.412 1.207 1.00 1.37 C ATOM 99 CZ TYR A 7 -14.488 4.883 0.247 1.00 1.27 C ATOM 100 OH TYR A 7 -13.368 5.602 -0.081 1.00 1.49 O ATOM 0 H TYR A 7 -20.000 3.558 -1.223 1.00 1.11 H new ATOM 0 HA TYR A 7 -18.174 2.376 -0.925 1.00 0.94 H new ATOM 0 HB2 TYR A 7 -18.845 3.539 1.650 1.00 1.04 H new ATOM 0 HB3 TYR A 7 -17.949 2.048 1.868 1.00 1.04 H new ATOM 0 HD1 TYR A 7 -16.261 2.212 -0.700 1.00 0.85 H new ATOM 0 HD2 TYR A 7 -17.162 5.120 2.285 1.00 1.26 H new ATOM 0 HE1 TYR A 7 -14.218 3.437 -1.272 1.00 1.02 H new ATOM 0 HE2 TYR A 7 -15.110 6.338 1.707 1.00 1.37 H new ATOM 0 HH TYR A 7 -12.979 5.243 -0.906 1.00 1.49 H new ATOM 110 N ALA A 8 -19.972 0.235 -0.746 1.00 0.77 N ATOM 111 CA ALA A 8 -20.281 -1.179 -0.787 1.00 0.72 C ATOM 112 C ALA A 8 -19.843 -1.657 -2.152 1.00 0.62 C ATOM 113 O ALA A 8 -20.646 -2.115 -2.965 1.00 0.69 O ATOM 114 CB ALA A 8 -21.763 -1.431 -0.558 1.00 0.89 C ATOM 0 H ALA A 8 -20.503 0.790 -1.417 1.00 0.77 H new ATOM 0 HA ALA A 8 -19.765 -1.720 0.006 1.00 0.72 H new ATOM 0 HB1 ALA A 8 -21.960 -2.502 -0.595 1.00 0.89 H new ATOM 0 HB2 ALA A 8 -22.051 -1.043 0.419 1.00 0.89 H new ATOM 0 HB3 ALA A 8 -22.342 -0.929 -1.333 1.00 0.89 H new ATOM 120 N GLU A 9 -18.553 -1.498 -2.400 1.00 0.57 N ATOM 121 CA GLU A 9 -17.966 -1.855 -3.666 1.00 0.59 C ATOM 122 C GLU A 9 -17.782 -3.349 -3.691 1.00 0.51 C ATOM 123 O GLU A 9 -18.048 -4.016 -4.689 1.00 0.56 O ATOM 124 CB GLU A 9 -16.635 -1.118 -3.911 1.00 0.71 C ATOM 125 CG GLU A 9 -16.191 -0.151 -2.819 1.00 0.64 C ATOM 126 CD GLU A 9 -15.554 1.108 -3.365 1.00 0.75 C ATOM 127 OE1 GLU A 9 -15.453 1.230 -4.602 1.00 1.19 O ATOM 128 OE2 GLU A 9 -15.110 1.952 -2.557 1.00 1.28 O ATOM 0 H GLU A 9 -17.890 -1.117 -1.725 1.00 0.57 H new ATOM 0 HA GLU A 9 -18.631 -1.549 -4.474 1.00 0.59 H new ATOM 0 HB2 GLU A 9 -15.851 -1.863 -4.049 1.00 0.71 H new ATOM 0 HB3 GLU A 9 -16.717 -0.565 -4.846 1.00 0.71 H new ATOM 0 HG2 GLU A 9 -17.053 0.120 -2.209 1.00 0.64 H new ATOM 0 HG3 GLU A 9 -15.482 -0.655 -2.162 1.00 0.64 H new ATOM 135 N VAL A 10 -17.365 -3.866 -2.544 1.00 0.43 N ATOM 136 CA VAL A 10 -17.188 -5.293 -2.359 1.00 0.42 C ATOM 137 C VAL A 10 -16.472 -5.926 -3.531 1.00 0.46 C ATOM 138 O VAL A 10 -16.857 -6.982 -4.026 1.00 0.53 O ATOM 139 CB VAL A 10 -18.553 -5.934 -2.140 1.00 0.52 C ATOM 140 CG1 VAL A 10 -19.399 -5.932 -3.410 1.00 0.94 C ATOM 141 CG2 VAL A 10 -18.418 -7.333 -1.560 1.00 1.06 C ATOM 0 H VAL A 10 -17.141 -3.308 -1.720 1.00 0.43 H new ATOM 0 HA VAL A 10 -16.560 -5.460 -1.484 1.00 0.42 H new ATOM 0 HB VAL A 10 -19.082 -5.322 -1.409 1.00 0.52 H new ATOM 0 HG11 VAL A 10 -20.363 -6.399 -3.206 1.00 0.94 H new ATOM 0 HG12 VAL A 10 -19.556 -4.905 -3.741 1.00 0.94 H new ATOM 0 HG13 VAL A 10 -18.884 -6.491 -4.191 1.00 0.94 H new ATOM 0 HG21 VAL A 10 -19.409 -7.764 -1.415 1.00 1.06 H new ATOM 0 HG22 VAL A 10 -17.847 -7.958 -2.247 1.00 1.06 H new ATOM 0 HG23 VAL A 10 -17.901 -7.281 -0.602 1.00 1.06 H new ATOM 151 N ASP A 11 -15.422 -5.244 -3.948 1.00 0.45 N ATOM 152 CA ASP A 11 -14.587 -5.672 -5.078 1.00 0.53 C ATOM 153 C ASP A 11 -13.741 -4.514 -5.629 1.00 0.54 C ATOM 154 O ASP A 11 -12.751 -4.741 -6.324 1.00 0.68 O ATOM 155 CB ASP A 11 -15.458 -6.245 -6.208 1.00 0.64 C ATOM 156 CG ASP A 11 -14.687 -6.514 -7.489 1.00 1.20 C ATOM 157 OD1 ASP A 11 -14.182 -5.546 -8.094 1.00 1.94 O ATOM 158 OD2 ASP A 11 -14.587 -7.694 -7.886 1.00 1.69 O ATOM 0 H ASP A 11 -15.115 -4.372 -3.517 1.00 0.45 H new ATOM 0 HA ASP A 11 -13.915 -6.445 -4.705 1.00 0.53 H new ATOM 0 HB2 ASP A 11 -15.917 -7.173 -5.868 1.00 0.64 H new ATOM 0 HB3 ASP A 11 -16.269 -5.548 -6.421 1.00 0.64 H new ATOM 163 N GLU A 12 -14.146 -3.281 -5.344 1.00 0.49 N ATOM 164 CA GLU A 12 -13.430 -2.108 -5.855 1.00 0.54 C ATOM 165 C GLU A 12 -12.950 -1.138 -4.755 1.00 0.50 C ATOM 166 O GLU A 12 -13.554 -0.103 -4.573 1.00 0.60 O ATOM 167 CB GLU A 12 -14.386 -1.358 -6.758 1.00 0.64 C ATOM 168 CG GLU A 12 -13.784 -0.123 -7.381 1.00 1.27 C ATOM 169 CD GLU A 12 -12.604 -0.432 -8.283 1.00 1.74 C ATOM 170 OE1 GLU A 12 -12.269 -1.626 -8.434 1.00 2.26 O ATOM 171 OE2 GLU A 12 -12.015 0.518 -8.836 1.00 2.23 O ATOM 0 H GLU A 12 -14.959 -3.064 -4.767 1.00 0.49 H new ATOM 0 HA GLU A 12 -12.537 -2.466 -6.368 1.00 0.54 H new ATOM 0 HB2 GLU A 12 -14.725 -2.026 -7.550 1.00 0.64 H new ATOM 0 HB3 GLU A 12 -15.267 -1.072 -6.183 1.00 0.64 H new ATOM 0 HG2 GLU A 12 -14.549 0.397 -7.958 1.00 1.27 H new ATOM 0 HG3 GLU A 12 -13.463 0.557 -6.591 1.00 1.27 H new ATOM 178 N ILE A 13 -11.872 -1.471 -4.033 1.00 0.42 N ATOM 179 CA ILE A 13 -11.313 -0.629 -2.956 1.00 0.38 C ATOM 180 C ILE A 13 -12.308 0.304 -2.221 1.00 0.39 C ATOM 181 O ILE A 13 -12.946 1.163 -2.809 1.00 0.52 O ATOM 182 CB ILE A 13 -10.129 0.207 -3.489 1.00 0.48 C ATOM 183 CG1 ILE A 13 -10.522 1.006 -4.739 1.00 1.00 C ATOM 184 CG2 ILE A 13 -8.963 -0.706 -3.814 1.00 0.95 C ATOM 185 CD1 ILE A 13 -11.249 2.301 -4.445 1.00 1.56 C ATOM 0 H ILE A 13 -11.356 -2.339 -4.178 1.00 0.42 H new ATOM 0 HA ILE A 13 -10.994 -1.349 -2.202 1.00 0.38 H new ATOM 0 HB ILE A 13 -9.841 0.915 -2.712 1.00 0.48 H new ATOM 0 HG12 ILE A 13 -9.622 1.230 -5.311 1.00 1.00 H new ATOM 0 HG13 ILE A 13 -11.155 0.383 -5.371 1.00 1.00 H new ATOM 0 HG21 ILE A 13 -8.130 -0.112 -4.190 1.00 0.95 H new ATOM 0 HG22 ILE A 13 -8.654 -1.236 -2.913 1.00 0.95 H new ATOM 0 HG23 ILE A 13 -9.266 -1.427 -4.573 1.00 0.95 H new ATOM 0 HD11 ILE A 13 -11.490 2.804 -5.382 1.00 1.56 H new ATOM 0 HD12 ILE A 13 -12.169 2.086 -3.901 1.00 1.56 H new ATOM 0 HD13 ILE A 13 -10.612 2.947 -3.840 1.00 1.56 H new ATOM 197 N VAL A 14 -12.381 0.149 -0.894 1.00 0.33 N ATOM 198 CA VAL A 14 -13.243 0.964 -0.051 1.00 0.37 C ATOM 199 C VAL A 14 -12.398 1.918 0.786 1.00 0.37 C ATOM 200 O VAL A 14 -12.860 2.989 1.176 1.00 0.48 O ATOM 201 CB VAL A 14 -14.155 0.079 0.876 1.00 0.38 C ATOM 202 CG1 VAL A 14 -14.009 0.393 2.370 1.00 0.44 C ATOM 203 CG2 VAL A 14 -15.612 0.218 0.482 1.00 0.51 C ATOM 0 H VAL A 14 -11.841 -0.547 -0.380 1.00 0.33 H new ATOM 0 HA VAL A 14 -13.901 1.541 -0.700 1.00 0.37 H new ATOM 0 HB VAL A 14 -13.814 -0.945 0.727 1.00 0.38 H new ATOM 0 HG11 VAL A 14 -14.669 -0.257 2.945 1.00 0.44 H new ATOM 0 HG12 VAL A 14 -12.977 0.226 2.678 1.00 0.44 H new ATOM 0 HG13 VAL A 14 -14.278 1.434 2.551 1.00 0.44 H new ATOM 0 HG21 VAL A 14 -16.226 -0.402 1.135 1.00 0.51 H new ATOM 0 HG22 VAL A 14 -15.917 1.260 0.578 1.00 0.51 H new ATOM 0 HG23 VAL A 14 -15.742 -0.104 -0.551 1.00 0.51 H new ATOM 213 N GLU A 15 -11.170 1.517 1.092 1.00 0.28 N ATOM 214 CA GLU A 15 -10.328 2.369 1.918 1.00 0.30 C ATOM 215 C GLU A 15 -8.878 2.391 1.461 1.00 0.31 C ATOM 216 O GLU A 15 -8.504 1.701 0.513 1.00 0.56 O ATOM 217 CB GLU A 15 -10.430 1.972 3.390 1.00 0.33 C ATOM 218 CG GLU A 15 -11.424 2.835 4.153 1.00 0.77 C ATOM 219 CD GLU A 15 -11.505 2.475 5.622 1.00 1.01 C ATOM 220 OE1 GLU A 15 -11.852 1.315 5.931 1.00 1.34 O ATOM 221 OE2 GLU A 15 -11.222 3.352 6.464 1.00 1.44 O ATOM 0 H GLU A 15 -10.747 0.638 0.793 1.00 0.28 H new ATOM 0 HA GLU A 15 -10.705 3.385 1.802 1.00 0.30 H new ATOM 0 HB2 GLU A 15 -10.730 0.926 3.462 1.00 0.33 H new ATOM 0 HB3 GLU A 15 -9.448 2.055 3.855 1.00 0.33 H new ATOM 0 HG2 GLU A 15 -11.139 3.883 4.055 1.00 0.77 H new ATOM 0 HG3 GLU A 15 -12.411 2.730 3.703 1.00 0.77 H new ATOM 228 N LYS A 16 -8.075 3.233 2.117 1.00 0.26 N ATOM 229 CA LYS A 16 -6.673 3.403 1.753 1.00 0.29 C ATOM 230 C LYS A 16 -5.976 4.405 2.674 1.00 0.47 C ATOM 231 O LYS A 16 -6.457 4.671 3.775 1.00 0.82 O ATOM 232 CB LYS A 16 -6.653 3.894 0.335 1.00 0.45 C ATOM 233 CG LYS A 16 -7.452 5.165 0.142 1.00 0.89 C ATOM 234 CD LYS A 16 -6.577 6.405 0.187 1.00 1.44 C ATOM 235 CE LYS A 16 -7.388 7.646 -0.124 1.00 2.23 C ATOM 236 NZ LYS A 16 -8.433 7.365 -1.147 1.00 3.04 N ATOM 0 H LYS A 16 -8.376 3.807 2.904 1.00 0.26 H new ATOM 0 HA LYS A 16 -6.137 2.459 1.854 1.00 0.29 H new ATOM 0 HB2 LYS A 16 -5.621 4.069 0.031 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -7.050 3.118 -0.319 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -7.972 5.124 -0.815 1.00 0.89 H new ATOM 0 HG3 LYS A 16 -8.216 5.233 0.917 1.00 0.89 H new ATOM 0 HD2 LYS A 16 -6.123 6.500 1.173 1.00 1.44 H new ATOM 0 HD3 LYS A 16 -5.763 6.308 -0.531 1.00 1.44 H new ATOM 0 HE2 LYS A 16 -7.858 8.014 0.788 1.00 2.23 H new ATOM 0 HE3 LYS A 16 -6.727 8.435 -0.483 1.00 2.23 H new ATOM 0 HZ1 LYS A 16 -8.834 8.262 -1.489 1.00 3.04 H new ATOM 0 HZ2 LYS A 16 -8.009 6.850 -1.944 1.00 3.04 H new ATOM 0 HZ3 LYS A 16 -9.187 6.787 -0.723 1.00 3.04 H new ATOM 250 N ARG A 17 -4.848 4.977 2.223 1.00 0.44 N ATOM 251 CA ARG A 17 -4.117 5.957 3.007 1.00 0.63 C ATOM 252 C ARG A 17 -3.319 5.286 4.113 1.00 1.08 C ATOM 253 O ARG A 17 -3.843 4.464 4.864 1.00 1.89 O ATOM 254 CB ARG A 17 -5.064 6.993 3.609 1.00 1.24 C ATOM 255 CG ARG A 17 -4.349 8.221 4.125 1.00 2.28 C ATOM 256 CD ARG A 17 -5.338 9.286 4.559 1.00 3.13 C ATOM 257 NE ARG A 17 -4.672 10.482 5.072 1.00 3.73 N ATOM 258 CZ ARG A 17 -3.980 10.511 6.207 1.00 4.40 C ATOM 259 NH1 ARG A 17 -3.901 9.427 6.966 1.00 4.67 N ATOM 260 NH2 ARG A 17 -3.377 11.628 6.589 1.00 5.19 N ATOM 0 H ARG A 17 -4.430 4.770 1.316 1.00 0.44 H new ATOM 0 HA ARG A 17 -3.425 6.463 2.334 1.00 0.63 H new ATOM 0 HB2 ARG A 17 -5.791 7.293 2.855 1.00 1.24 H new ATOM 0 HB3 ARG A 17 -5.622 6.535 4.425 1.00 1.24 H new ATOM 0 HG2 ARG A 17 -3.711 7.948 4.966 1.00 2.28 H new ATOM 0 HG3 ARG A 17 -3.698 8.620 3.347 1.00 2.28 H new ATOM 0 HD2 ARG A 17 -5.970 9.558 3.714 1.00 3.13 H new ATOM 0 HD3 ARG A 17 -5.993 8.879 5.329 1.00 3.13 H new ATOM 0 HE ARG A 17 -4.742 11.342 4.529 1.00 3.73 H new ATOM 0 HH11 ARG A 17 -4.372 8.569 6.680 1.00 4.67 H new ATOM 0 HH12 ARG A 17 -3.370 9.451 7.836 1.00 4.67 H new ATOM 0 HH21 ARG A 17 -3.444 12.466 6.012 1.00 5.19 H new ATOM 0 HH22 ARG A 17 -2.846 11.649 7.460 1.00 5.19 H new ATOM 274 N GLY A 18 -2.048 5.647 4.207 1.00 1.31 N ATOM 275 CA GLY A 18 -1.194 5.080 5.220 1.00 2.00 C ATOM 276 C GLY A 18 0.178 5.730 5.277 1.00 2.22 C ATOM 277 O GLY A 18 0.320 6.946 5.137 1.00 2.45 O ATOM 0 H GLY A 18 -1.595 6.326 3.595 1.00 1.31 H new ATOM 0 HA2 GLY A 18 -1.677 5.180 6.192 1.00 2.00 H new ATOM 0 HA3 GLY A 18 -1.076 4.013 5.031 1.00 2.00 H new ATOM 281 N LYS A 19 1.188 4.887 5.508 1.00 2.48 N ATOM 282 CA LYS A 19 2.572 5.331 5.618 1.00 2.97 C ATOM 283 C LYS A 19 2.898 6.390 4.570 1.00 2.66 C ATOM 284 O LYS A 19 2.191 6.527 3.570 1.00 2.54 O ATOM 285 CB LYS A 19 3.528 4.150 5.459 1.00 3.46 C ATOM 286 CG LYS A 19 3.274 3.022 6.446 1.00 4.17 C ATOM 287 CD LYS A 19 3.403 3.501 7.884 1.00 4.98 C ATOM 288 CE LYS A 19 3.140 2.378 8.873 1.00 5.96 C ATOM 289 NZ LYS A 19 1.767 1.819 8.729 1.00 6.54 N ATOM 0 H LYS A 19 1.066 3.881 5.623 1.00 2.48 H new ATOM 0 HA LYS A 19 2.698 5.769 6.608 1.00 2.97 H new ATOM 0 HB2 LYS A 19 3.444 3.760 4.445 1.00 3.46 H new ATOM 0 HB3 LYS A 19 4.552 4.504 5.580 1.00 3.46 H new ATOM 0 HG2 LYS A 19 2.276 2.614 6.285 1.00 4.17 H new ATOM 0 HG3 LYS A 19 3.982 2.213 6.266 1.00 4.17 H new ATOM 0 HD2 LYS A 19 4.403 3.903 8.046 1.00 4.98 H new ATOM 0 HD3 LYS A 19 2.700 4.315 8.061 1.00 4.98 H new ATOM 0 HE2 LYS A 19 3.872 1.584 8.724 1.00 5.96 H new ATOM 0 HE3 LYS A 19 3.276 2.750 9.889 1.00 5.96 H new ATOM 0 HZ1 LYS A 19 1.542 1.232 9.558 1.00 6.54 H new ATOM 0 HZ2 LYS A 19 1.081 2.597 8.659 1.00 6.54 H new ATOM 0 HZ3 LYS A 19 1.718 1.236 7.869 1.00 6.54 H new ATOM 303 N GLY A 20 3.974 7.129 4.796 1.00 2.95 N ATOM 304 CA GLY A 20 4.375 8.153 3.853 1.00 3.08 C ATOM 305 C GLY A 20 4.464 7.623 2.433 1.00 2.93 C ATOM 306 O GLY A 20 4.383 8.391 1.474 1.00 3.38 O ATOM 0 H GLY A 20 4.576 7.038 5.614 1.00 2.95 H new ATOM 0 HA2 GLY A 20 3.661 8.976 3.888 1.00 3.08 H new ATOM 0 HA3 GLY A 20 5.343 8.558 4.149 1.00 3.08 H new ATOM 310 N LYS A 21 4.646 6.311 2.299 1.00 2.71 N ATOM 311 CA LYS A 21 4.762 5.689 0.981 1.00 2.99 C ATOM 312 C LYS A 21 4.008 4.356 0.898 1.00 2.67 C ATOM 313 O LYS A 21 3.438 4.029 -0.142 1.00 3.19 O ATOM 314 CB LYS A 21 6.238 5.472 0.635 1.00 3.64 C ATOM 315 CG LYS A 21 7.054 6.755 0.634 1.00 4.42 C ATOM 316 CD LYS A 21 8.541 6.489 0.438 1.00 5.23 C ATOM 317 CE LYS A 21 8.842 5.879 -0.923 1.00 5.87 C ATOM 318 NZ LYS A 21 8.393 4.463 -1.019 1.00 6.40 N ATOM 0 H LYS A 21 4.716 5.661 3.082 1.00 2.71 H new ATOM 0 HA LYS A 21 4.306 6.368 0.260 1.00 2.99 H new ATOM 0 HB2 LYS A 21 6.672 4.775 1.351 1.00 3.64 H new ATOM 0 HB3 LYS A 21 6.308 5.005 -0.347 1.00 3.64 H new ATOM 0 HG2 LYS A 21 6.696 7.411 -0.159 1.00 4.42 H new ATOM 0 HG3 LYS A 21 6.902 7.282 1.576 1.00 4.42 H new ATOM 0 HD2 LYS A 21 9.093 7.423 0.545 1.00 5.23 H new ATOM 0 HD3 LYS A 21 8.895 5.818 1.221 1.00 5.23 H new ATOM 0 HE2 LYS A 21 8.351 6.467 -1.699 1.00 5.87 H new ATOM 0 HE3 LYS A 21 9.914 5.932 -1.113 1.00 5.87 H new ATOM 0 HZ1 LYS A 21 9.112 3.904 -1.522 1.00 6.40 H new ATOM 0 HZ2 LYS A 21 8.260 4.075 -0.063 1.00 6.40 H new ATOM 0 HZ3 LYS A 21 7.493 4.419 -1.539 1.00 6.40 H new ATOM 332 N ASP A 22 4.015 3.584 1.983 1.00 2.05 N ATOM 333 CA ASP A 22 3.343 2.285 2.013 1.00 1.82 C ATOM 334 C ASP A 22 1.826 2.422 2.049 1.00 1.49 C ATOM 335 O ASP A 22 1.158 1.945 2.967 1.00 1.91 O ATOM 336 CB ASP A 22 3.830 1.440 3.194 1.00 2.35 C ATOM 337 CG ASP A 22 5.337 1.280 3.205 1.00 2.77 C ATOM 338 OD1 ASP A 22 5.999 1.827 2.298 1.00 3.28 O ATOM 339 OD2 ASP A 22 5.856 0.606 4.120 1.00 3.13 O ATOM 0 H ASP A 22 4.480 3.836 2.855 1.00 2.05 H new ATOM 0 HA ASP A 22 3.604 1.775 1.086 1.00 1.82 H new ATOM 0 HB2 ASP A 22 3.510 1.904 4.127 1.00 2.35 H new ATOM 0 HB3 ASP A 22 3.363 0.456 3.151 1.00 2.35 H new ATOM 344 N VAL A 23 1.302 3.044 1.010 1.00 0.98 N ATOM 345 CA VAL A 23 -0.131 3.233 0.843 1.00 0.77 C ATOM 346 C VAL A 23 -0.732 2.030 0.147 1.00 0.57 C ATOM 347 O VAL A 23 -0.083 1.392 -0.684 1.00 0.70 O ATOM 348 CB VAL A 23 -0.418 4.444 -0.038 1.00 0.90 C ATOM 349 CG1 VAL A 23 -1.895 4.805 0.006 1.00 1.50 C ATOM 350 CG2 VAL A 23 0.456 5.624 0.355 1.00 1.54 C ATOM 0 H VAL A 23 1.860 3.436 0.252 1.00 0.98 H new ATOM 0 HA VAL A 23 -0.561 3.373 1.835 1.00 0.77 H new ATOM 0 HB VAL A 23 -0.171 4.183 -1.067 1.00 0.90 H new ATOM 0 HG11 VAL A 23 -2.077 5.672 -0.630 1.00 1.50 H new ATOM 0 HG12 VAL A 23 -2.486 3.962 -0.352 1.00 1.50 H new ATOM 0 HG13 VAL A 23 -2.182 5.040 1.031 1.00 1.50 H new ATOM 0 HG21 VAL A 23 0.231 6.474 -0.289 1.00 1.54 H new ATOM 0 HG22 VAL A 23 0.259 5.893 1.393 1.00 1.54 H new ATOM 0 HG23 VAL A 23 1.506 5.352 0.244 1.00 1.54 H new ATOM 360 N GLU A 24 -1.971 1.727 0.474 1.00 0.53 N ATOM 361 CA GLU A 24 -2.647 0.606 -0.135 1.00 0.45 C ATOM 362 C GLU A 24 -4.157 0.766 -0.153 1.00 0.44 C ATOM 363 O GLU A 24 -4.750 1.442 0.674 1.00 0.47 O ATOM 364 CB GLU A 24 -2.240 -0.713 0.535 1.00 0.66 C ATOM 365 CG GLU A 24 -1.679 -0.547 1.938 1.00 1.82 C ATOM 366 CD GLU A 24 -0.167 -0.421 1.964 1.00 2.49 C ATOM 367 OE1 GLU A 24 0.447 -0.379 0.879 1.00 2.95 O ATOM 368 OE2 GLU A 24 0.401 -0.359 3.074 1.00 3.03 O ATOM 0 H GLU A 24 -2.527 2.241 1.157 1.00 0.53 H new ATOM 0 HA GLU A 24 -2.326 0.579 -1.176 1.00 0.45 H new ATOM 0 HB2 GLU A 24 -3.109 -1.370 0.578 1.00 0.66 H new ATOM 0 HB3 GLU A 24 -1.495 -1.210 -0.087 1.00 0.66 H new ATOM 0 HG2 GLU A 24 -2.119 0.339 2.396 1.00 1.82 H new ATOM 0 HG3 GLU A 24 -1.977 -1.402 2.545 1.00 1.82 H new ATOM 375 N TYR A 25 -4.735 0.142 -1.179 1.00 0.44 N ATOM 376 CA TYR A 25 -6.159 0.189 -1.439 1.00 0.46 C ATOM 377 C TYR A 25 -6.709 -1.187 -1.636 1.00 0.50 C ATOM 378 O TYR A 25 -6.179 -1.960 -2.420 1.00 0.76 O ATOM 379 CB TYR A 25 -6.425 1.032 -2.685 1.00 0.46 C ATOM 380 CG TYR A 25 -5.828 2.384 -2.557 1.00 0.41 C ATOM 381 CD1 TYR A 25 -4.470 2.543 -2.393 1.00 0.42 C ATOM 382 CD2 TYR A 25 -6.625 3.490 -2.527 1.00 0.48 C ATOM 383 CE1 TYR A 25 -3.917 3.764 -2.202 1.00 0.46 C ATOM 384 CE2 TYR A 25 -6.081 4.737 -2.350 1.00 0.56 C ATOM 385 CZ TYR A 25 -4.720 4.875 -2.185 1.00 0.49 C ATOM 386 OH TYR A 25 -4.168 6.119 -1.987 1.00 0.67 O ATOM 0 H TYR A 25 -4.214 -0.415 -1.857 1.00 0.44 H new ATOM 0 HA TYR A 25 -6.654 0.639 -0.578 1.00 0.46 H new ATOM 0 HB2 TYR A 25 -6.012 0.531 -3.561 1.00 0.46 H new ATOM 0 HB3 TYR A 25 -7.500 1.120 -2.845 1.00 0.46 H new ATOM 0 HD1 TYR A 25 -3.831 1.673 -2.417 1.00 0.42 H new ATOM 0 HD2 TYR A 25 -7.693 3.383 -2.644 1.00 0.48 H new ATOM 0 HE1 TYR A 25 -2.850 3.862 -2.064 1.00 0.46 H new ATOM 0 HE2 TYR A 25 -6.718 5.609 -2.340 1.00 0.56 H new ATOM 0 HH TYR A 25 -3.272 6.146 -2.382 1.00 0.67 H new ATOM 396 N LEU A 26 -7.764 -1.480 -0.889 1.00 0.29 N ATOM 397 CA LEU A 26 -8.433 -2.779 -0.913 1.00 0.30 C ATOM 398 C LEU A 26 -9.128 -2.983 0.424 1.00 0.25 C ATOM 399 O LEU A 26 -8.598 -3.640 1.304 1.00 0.35 O ATOM 400 CB LEU A 26 -7.425 -3.913 -1.141 1.00 0.43 C ATOM 401 CG LEU A 26 -7.132 -4.382 -2.588 1.00 0.86 C ATOM 402 CD1 LEU A 26 -7.115 -5.899 -2.661 1.00 1.45 C ATOM 403 CD2 LEU A 26 -8.104 -3.806 -3.612 1.00 1.65 C ATOM 0 H LEU A 26 -8.187 -0.816 -0.240 1.00 0.29 H new ATOM 0 HA LEU A 26 -9.153 -2.796 -1.731 1.00 0.30 H new ATOM 0 HB2 LEU A 26 -6.478 -3.605 -0.698 1.00 0.43 H new ATOM 0 HB3 LEU A 26 -7.773 -4.780 -0.579 1.00 0.43 H new ATOM 0 HG LEU A 26 -6.146 -3.997 -2.847 1.00 0.86 H new ATOM 0 HD11 LEU A 26 -6.908 -6.212 -3.684 1.00 1.45 H new ATOM 0 HD12 LEU A 26 -6.340 -6.286 -1.999 1.00 1.45 H new ATOM 0 HD13 LEU A 26 -8.085 -6.289 -2.352 1.00 1.45 H new ATOM 0 HD21 LEU A 26 -7.845 -4.172 -4.605 1.00 1.65 H new ATOM 0 HD22 LEU A 26 -9.119 -4.116 -3.364 1.00 1.65 H new ATOM 0 HD23 LEU A 26 -8.043 -2.718 -3.599 1.00 1.65 H new ATOM 415 N VAL A 27 -10.296 -2.394 0.603 1.00 0.22 N ATOM 416 CA VAL A 27 -10.994 -2.523 1.871 1.00 0.23 C ATOM 417 C VAL A 27 -12.501 -2.661 1.669 1.00 0.22 C ATOM 418 O VAL A 27 -13.292 -2.136 2.447 1.00 0.33 O ATOM 419 CB VAL A 27 -10.733 -1.309 2.765 1.00 0.30 C ATOM 420 CG1 VAL A 27 -11.373 -1.490 4.134 1.00 0.39 C ATOM 421 CG2 VAL A 27 -9.241 -1.049 2.910 1.00 0.41 C ATOM 0 H VAL A 27 -10.776 -1.831 -0.099 1.00 0.22 H new ATOM 0 HA VAL A 27 -10.611 -3.424 2.350 1.00 0.23 H new ATOM 0 HB VAL A 27 -11.188 -0.443 2.285 1.00 0.30 H new ATOM 0 HG11 VAL A 27 -11.172 -0.613 4.749 1.00 0.39 H new ATOM 0 HG12 VAL A 27 -12.450 -1.613 4.019 1.00 0.39 H new ATOM 0 HG13 VAL A 27 -10.956 -2.374 4.616 1.00 0.39 H new ATOM 0 HG21 VAL A 27 -9.083 -0.181 3.550 1.00 0.41 H new ATOM 0 HG22 VAL A 27 -8.761 -1.920 3.356 1.00 0.41 H new ATOM 0 HG23 VAL A 27 -8.808 -0.859 1.928 1.00 0.41 H new ATOM 431 N ARG A 28 -12.901 -3.316 0.590 1.00 0.17 N ATOM 432 CA ARG A 28 -14.322 -3.434 0.264 1.00 0.23 C ATOM 433 C ARG A 28 -14.826 -4.836 0.053 1.00 0.29 C ATOM 434 O ARG A 28 -15.901 -5.204 0.529 1.00 0.51 O ATOM 435 CB ARG A 28 -14.614 -2.658 -1.016 1.00 0.30 C ATOM 436 CG ARG A 28 -13.409 -2.362 -1.913 1.00 0.32 C ATOM 437 CD ARG A 28 -12.905 -3.590 -2.651 1.00 0.44 C ATOM 438 NE ARG A 28 -11.606 -4.060 -2.177 1.00 0.66 N ATOM 439 CZ ARG A 28 -11.020 -5.164 -2.630 1.00 0.88 C ATOM 440 NH1 ARG A 28 -11.569 -5.863 -3.598 1.00 0.60 N ATOM 441 NH2 ARG A 28 -9.888 -5.575 -2.112 1.00 1.56 N ATOM 0 H ARG A 28 -12.272 -3.771 -0.072 1.00 0.17 H new ATOM 0 HA ARG A 28 -14.837 -3.038 1.139 1.00 0.23 H new ATOM 0 HB2 ARG A 28 -15.346 -3.219 -1.598 1.00 0.30 H new ATOM 0 HB3 ARG A 28 -15.081 -1.711 -0.744 1.00 0.30 H new ATOM 0 HG2 ARG A 28 -13.682 -1.595 -2.638 1.00 0.32 H new ATOM 0 HG3 ARG A 28 -12.602 -1.953 -1.305 1.00 0.32 H new ATOM 0 HD2 ARG A 28 -13.634 -4.393 -2.545 1.00 0.44 H new ATOM 0 HD3 ARG A 28 -12.834 -3.362 -3.715 1.00 0.44 H new ATOM 0 HE ARG A 28 -11.124 -3.514 -1.463 1.00 0.66 H new ATOM 0 HH11 ARG A 28 -12.452 -5.560 -4.008 1.00 0.60 H new ATOM 0 HH12 ARG A 28 -11.112 -6.709 -3.939 1.00 0.60 H new ATOM 0 HH21 ARG A 28 -9.451 -5.047 -1.357 1.00 1.56 H new ATOM 0 HH22 ARG A 28 -9.444 -6.423 -2.464 1.00 1.56 H new ATOM 455 N TRP A 29 -14.063 -5.592 -0.683 1.00 0.30 N ATOM 456 CA TRP A 29 -14.431 -6.919 -1.004 1.00 0.36 C ATOM 457 C TRP A 29 -14.879 -7.737 0.221 1.00 0.37 C ATOM 458 O TRP A 29 -16.043 -7.708 0.622 1.00 0.52 O ATOM 459 CB TRP A 29 -13.308 -7.592 -1.833 1.00 0.44 C ATOM 460 CG TRP A 29 -11.886 -7.594 -1.264 1.00 0.43 C ATOM 461 CD1 TRP A 29 -10.841 -8.309 -1.782 1.00 0.58 C ATOM 462 CD2 TRP A 29 -11.343 -6.898 -0.107 1.00 0.37 C ATOM 463 NE1 TRP A 29 -9.707 -8.128 -1.029 1.00 0.60 N ATOM 464 CE2 TRP A 29 -9.979 -7.268 -0.005 1.00 0.45 C ATOM 465 CE3 TRP A 29 -11.855 -6.008 0.855 1.00 0.42 C ATOM 466 CZ2 TRP A 29 -9.141 -6.785 1.002 1.00 0.45 C ATOM 467 CZ3 TRP A 29 -11.028 -5.543 1.839 1.00 0.47 C ATOM 468 CH2 TRP A 29 -9.688 -5.927 1.911 1.00 0.44 C ATOM 0 H TRP A 29 -13.169 -5.294 -1.073 1.00 0.30 H new ATOM 0 HA TRP A 29 -15.322 -6.884 -1.630 1.00 0.36 H new ATOM 0 HB2 TRP A 29 -13.598 -8.628 -2.006 1.00 0.44 H new ATOM 0 HB3 TRP A 29 -13.276 -7.103 -2.807 1.00 0.44 H new ATOM 0 HD1 TRP A 29 -10.900 -8.931 -2.663 1.00 0.58 H new ATOM 0 HE1 TRP A 29 -8.804 -8.567 -1.207 1.00 0.60 H new ATOM 0 HE3 TRP A 29 -12.888 -5.696 0.816 1.00 0.42 H new ATOM 0 HZ2 TRP A 29 -8.103 -7.078 1.059 1.00 0.45 H new ATOM 0 HZ3 TRP A 29 -11.421 -4.862 2.579 1.00 0.47 H new ATOM 0 HH2 TRP A 29 -9.069 -5.536 2.705 1.00 0.44 H new ATOM 479 N LYS A 30 -13.948 -8.481 0.758 1.00 0.35 N ATOM 480 CA LYS A 30 -14.185 -9.358 1.890 1.00 0.43 C ATOM 481 C LYS A 30 -14.029 -8.614 3.217 1.00 0.45 C ATOM 482 O LYS A 30 -14.958 -7.958 3.688 1.00 0.84 O ATOM 483 CB LYS A 30 -13.273 -10.591 1.831 1.00 0.52 C ATOM 484 CG LYS A 30 -13.763 -11.676 0.884 1.00 1.24 C ATOM 485 CD LYS A 30 -13.649 -11.260 -0.574 1.00 1.88 C ATOM 486 CE LYS A 30 -12.199 -11.091 -0.994 1.00 2.53 C ATOM 487 NZ LYS A 30 -12.064 -10.920 -2.467 1.00 3.39 N ATOM 0 H LYS A 30 -12.986 -8.500 0.420 1.00 0.35 H new ATOM 0 HA LYS A 30 -15.217 -9.703 1.831 1.00 0.43 H new ATOM 0 HB2 LYS A 30 -12.275 -10.278 1.524 1.00 0.52 H new ATOM 0 HB3 LYS A 30 -13.181 -11.011 2.833 1.00 0.52 H new ATOM 0 HG2 LYS A 30 -13.185 -12.586 1.047 1.00 1.24 H new ATOM 0 HG3 LYS A 30 -14.802 -11.913 1.112 1.00 1.24 H new ATOM 0 HD2 LYS A 30 -14.127 -12.009 -1.205 1.00 1.88 H new ATOM 0 HD3 LYS A 30 -14.185 -10.324 -0.729 1.00 1.88 H new ATOM 0 HE2 LYS A 30 -11.773 -10.225 -0.487 1.00 2.53 H new ATOM 0 HE3 LYS A 30 -11.625 -11.961 -0.675 1.00 2.53 H new ATOM 0 HZ1 LYS A 30 -11.225 -11.435 -2.801 1.00 3.39 H new ATOM 0 HZ2 LYS A 30 -12.911 -11.296 -2.939 1.00 3.39 H new ATOM 0 HZ3 LYS A 30 -11.962 -9.910 -2.691 1.00 3.39 H new ATOM 501 N ASP A 31 -12.833 -8.715 3.810 1.00 0.56 N ATOM 502 CA ASP A 31 -12.526 -8.055 5.068 1.00 0.58 C ATOM 503 C ASP A 31 -13.659 -8.218 6.082 1.00 0.89 C ATOM 504 O ASP A 31 -14.482 -9.126 5.970 1.00 1.45 O ATOM 505 CB ASP A 31 -12.233 -6.577 4.808 1.00 0.73 C ATOM 506 CG ASP A 31 -13.465 -5.814 4.360 1.00 1.49 C ATOM 507 OD1 ASP A 31 -14.442 -5.753 5.136 1.00 2.01 O ATOM 508 OD2 ASP A 31 -13.457 -5.279 3.232 1.00 2.14 O ATOM 0 H ASP A 31 -12.059 -9.257 3.426 1.00 0.56 H new ATOM 0 HA ASP A 31 -11.643 -8.526 5.500 1.00 0.58 H new ATOM 0 HB2 ASP A 31 -11.838 -6.122 5.716 1.00 0.73 H new ATOM 0 HB3 ASP A 31 -11.459 -6.491 4.046 1.00 0.73 H new ATOM 513 N GLY A 32 -13.682 -7.337 7.076 1.00 1.01 N ATOM 514 CA GLY A 32 -14.693 -7.389 8.112 1.00 1.34 C ATOM 515 C GLY A 32 -14.211 -6.691 9.363 1.00 1.55 C ATOM 516 O GLY A 32 -14.010 -5.476 9.365 1.00 1.78 O ATOM 0 H GLY A 32 -13.008 -6.579 7.182 1.00 1.01 H new ATOM 0 HA2 GLY A 32 -15.610 -6.918 7.757 1.00 1.34 H new ATOM 0 HA3 GLY A 32 -14.935 -8.427 8.339 1.00 1.34 H new ATOM 520 N GLY A 33 -13.992 -7.460 10.422 1.00 1.72 N ATOM 521 CA GLY A 33 -13.495 -6.887 11.654 1.00 2.06 C ATOM 522 C GLY A 33 -12.167 -6.188 11.437 1.00 1.90 C ATOM 523 O GLY A 33 -11.814 -5.263 12.168 1.00 2.08 O ATOM 0 H GLY A 33 -14.150 -8.467 10.448 1.00 1.72 H new ATOM 0 HA2 GLY A 33 -14.223 -6.177 12.047 1.00 2.06 H new ATOM 0 HA3 GLY A 33 -13.378 -7.671 12.402 1.00 2.06 H new ATOM 527 N ASP A 34 -11.431 -6.641 10.420 1.00 1.71 N ATOM 528 CA ASP A 34 -10.130 -6.070 10.090 1.00 1.59 C ATOM 529 C ASP A 34 -9.969 -5.903 8.579 1.00 1.24 C ATOM 530 O ASP A 34 -10.539 -6.660 7.793 1.00 1.42 O ATOM 531 CB ASP A 34 -9.009 -6.957 10.627 1.00 1.74 C ATOM 532 CG ASP A 34 -7.635 -6.391 10.331 1.00 2.18 C ATOM 533 OD1 ASP A 34 -7.347 -5.265 10.788 1.00 2.53 O ATOM 534 OD2 ASP A 34 -6.845 -7.074 9.645 1.00 2.74 O ATOM 0 H ASP A 34 -11.719 -7.406 9.810 1.00 1.71 H new ATOM 0 HA ASP A 34 -10.070 -5.087 10.557 1.00 1.59 H new ATOM 0 HB2 ASP A 34 -9.126 -7.075 11.704 1.00 1.74 H new ATOM 0 HB3 ASP A 34 -9.093 -7.951 10.187 1.00 1.74 H new ATOM 539 N CYS A 35 -9.189 -4.901 8.184 1.00 1.02 N ATOM 540 CA CYS A 35 -8.944 -4.623 6.770 1.00 0.90 C ATOM 541 C CYS A 35 -7.818 -5.501 6.216 1.00 0.76 C ATOM 542 O CYS A 35 -6.794 -5.706 6.868 1.00 0.96 O ATOM 543 CB CYS A 35 -8.607 -3.144 6.580 1.00 1.24 C ATOM 544 SG CYS A 35 -9.925 -2.018 7.098 1.00 1.85 S ATOM 0 H CYS A 35 -8.714 -4.265 8.825 1.00 1.02 H new ATOM 0 HA CYS A 35 -9.852 -4.858 6.215 1.00 0.90 H new ATOM 0 HB2 CYS A 35 -7.703 -2.912 7.143 1.00 1.24 H new ATOM 0 HB3 CYS A 35 -8.382 -2.965 5.529 1.00 1.24 H new ATOM 0 HG CYS A 35 -9.548 -0.789 6.902 1.00 1.85 H new ATOM 550 N GLU A 36 -8.023 -6.018 5.006 1.00 0.54 N ATOM 551 CA GLU A 36 -7.036 -6.880 4.346 1.00 0.50 C ATOM 552 C GLU A 36 -6.385 -6.177 3.157 1.00 0.41 C ATOM 553 O GLU A 36 -5.753 -6.815 2.314 1.00 0.54 O ATOM 554 CB GLU A 36 -7.712 -8.138 3.812 1.00 0.53 C ATOM 555 CG GLU A 36 -8.929 -8.589 4.610 1.00 0.65 C ATOM 556 CD GLU A 36 -8.581 -8.979 6.032 1.00 1.34 C ATOM 557 OE1 GLU A 36 -8.057 -8.120 6.772 1.00 2.09 O ATOM 558 OE2 GLU A 36 -8.829 -10.145 6.406 1.00 1.76 O ATOM 0 H GLU A 36 -8.868 -5.855 4.458 1.00 0.54 H new ATOM 0 HA GLU A 36 -6.279 -7.125 5.091 1.00 0.50 H new ATOM 0 HB2 GLU A 36 -8.015 -7.962 2.780 1.00 0.53 H new ATOM 0 HB3 GLU A 36 -6.983 -8.948 3.796 1.00 0.53 H new ATOM 0 HG2 GLU A 36 -9.666 -7.786 4.627 1.00 0.65 H new ATOM 0 HG3 GLU A 36 -9.394 -9.437 4.108 1.00 0.65 H new ATOM 565 N TRP A 37 -6.581 -4.878 3.073 1.00 0.43 N ATOM 566 CA TRP A 37 -6.067 -4.078 1.976 1.00 0.45 C ATOM 567 C TRP A 37 -4.584 -4.327 1.699 1.00 0.52 C ATOM 568 O TRP A 37 -3.758 -4.331 2.611 1.00 0.93 O ATOM 569 CB TRP A 37 -6.347 -2.613 2.272 1.00 0.82 C ATOM 570 CG TRP A 37 -5.358 -1.945 3.178 1.00 0.51 C ATOM 571 CD1 TRP A 37 -4.440 -1.016 2.802 1.00 0.78 C ATOM 572 CD2 TRP A 37 -5.175 -2.143 4.593 1.00 0.85 C ATOM 573 NE1 TRP A 37 -3.707 -0.610 3.896 1.00 1.38 N ATOM 574 CE2 TRP A 37 -4.135 -1.294 4.998 1.00 1.36 C ATOM 575 CE3 TRP A 37 -5.781 -2.949 5.561 1.00 1.05 C ATOM 576 CZ2 TRP A 37 -3.695 -1.228 6.315 1.00 1.88 C ATOM 577 CZ3 TRP A 37 -5.341 -2.883 6.867 1.00 1.44 C ATOM 578 CH2 TRP A 37 -4.306 -2.028 7.234 1.00 1.83 C ATOM 0 H TRP A 37 -7.104 -4.343 3.766 1.00 0.43 H new ATOM 0 HA TRP A 37 -6.580 -4.375 1.061 1.00 0.45 H new ATOM 0 HB2 TRP A 37 -6.378 -2.068 1.329 1.00 0.82 H new ATOM 0 HB3 TRP A 37 -7.338 -2.532 2.719 1.00 0.82 H new ATOM 0 HD1 TRP A 37 -4.305 -0.650 1.795 1.00 0.78 H new ATOM 0 HE1 TRP A 37 -2.964 0.089 3.885 1.00 1.38 H new ATOM 0 HE3 TRP A 37 -6.585 -3.617 5.289 1.00 1.05 H new ATOM 0 HZ2 TRP A 37 -2.894 -0.563 6.601 1.00 1.88 H new ATOM 0 HZ3 TRP A 37 -5.807 -3.505 7.617 1.00 1.44 H new ATOM 0 HH2 TRP A 37 -3.982 -1.998 8.264 1.00 1.83 H new ATOM 589 N VAL A 38 -4.269 -4.547 0.417 1.00 0.44 N ATOM 590 CA VAL A 38 -2.911 -4.814 -0.015 1.00 0.55 C ATOM 591 C VAL A 38 -2.271 -3.593 -0.699 1.00 0.56 C ATOM 592 O VAL A 38 -2.976 -2.675 -1.114 1.00 1.64 O ATOM 593 CB VAL A 38 -2.874 -6.003 -0.987 1.00 0.99 C ATOM 594 CG1 VAL A 38 -3.404 -7.260 -0.319 1.00 1.83 C ATOM 595 CG2 VAL A 38 -3.659 -5.689 -2.254 1.00 1.37 C ATOM 0 H VAL A 38 -4.953 -4.543 -0.340 1.00 0.44 H new ATOM 0 HA VAL A 38 -2.339 -5.049 0.883 1.00 0.55 H new ATOM 0 HB VAL A 38 -1.836 -6.181 -1.268 1.00 0.99 H new ATOM 0 HG11 VAL A 38 -3.369 -8.090 -1.025 1.00 1.83 H new ATOM 0 HG12 VAL A 38 -2.790 -7.497 0.550 1.00 1.83 H new ATOM 0 HG13 VAL A 38 -4.434 -7.097 -0.002 1.00 1.83 H new ATOM 0 HG21 VAL A 38 -3.619 -6.545 -2.928 1.00 1.37 H new ATOM 0 HG22 VAL A 38 -4.697 -5.478 -1.996 1.00 1.37 H new ATOM 0 HG23 VAL A 38 -3.223 -4.819 -2.746 1.00 1.37 H new ATOM 605 N LYS A 39 -0.929 -3.614 -0.819 1.00 0.48 N ATOM 606 CA LYS A 39 -0.138 -2.531 -1.455 1.00 0.37 C ATOM 607 C LYS A 39 -0.943 -1.707 -2.460 1.00 0.42 C ATOM 608 O LYS A 39 -1.714 -2.243 -3.249 1.00 1.01 O ATOM 609 CB LYS A 39 1.100 -3.111 -2.146 1.00 0.93 C ATOM 610 CG LYS A 39 2.280 -3.349 -1.212 1.00 1.70 C ATOM 611 CD LYS A 39 1.930 -4.310 -0.089 1.00 2.26 C ATOM 612 CE LYS A 39 3.125 -4.575 0.810 1.00 2.93 C ATOM 613 NZ LYS A 39 2.788 -5.512 1.916 1.00 3.46 N ATOM 0 H LYS A 39 -0.356 -4.385 -0.477 1.00 0.48 H new ATOM 0 HA LYS A 39 0.159 -1.858 -0.651 1.00 0.37 H new ATOM 0 HB2 LYS A 39 0.830 -4.055 -2.620 1.00 0.93 H new ATOM 0 HB3 LYS A 39 1.411 -2.433 -2.941 1.00 0.93 H new ATOM 0 HG2 LYS A 39 3.119 -3.747 -1.782 1.00 1.70 H new ATOM 0 HG3 LYS A 39 2.605 -2.399 -0.788 1.00 1.70 H new ATOM 0 HD2 LYS A 39 1.113 -3.898 0.503 1.00 2.26 H new ATOM 0 HD3 LYS A 39 1.575 -5.250 -0.511 1.00 2.26 H new ATOM 0 HE2 LYS A 39 3.940 -4.990 0.218 1.00 2.93 H new ATOM 0 HE3 LYS A 39 3.482 -3.633 1.227 1.00 2.93 H new ATOM 0 HZ1 LYS A 39 3.629 -5.668 2.507 1.00 3.46 H new ATOM 0 HZ2 LYS A 39 2.027 -5.105 2.496 1.00 3.46 H new ATOM 0 HZ3 LYS A 39 2.472 -6.419 1.518 1.00 3.46 H new ATOM 627 N GLY A 40 -0.759 -0.388 -2.399 1.00 0.34 N ATOM 628 CA GLY A 40 -1.474 0.518 -3.284 1.00 0.25 C ATOM 629 C GLY A 40 -0.864 0.611 -4.662 1.00 0.40 C ATOM 630 O GLY A 40 -1.556 0.476 -5.668 1.00 0.49 O ATOM 0 H GLY A 40 -0.123 0.071 -1.747 1.00 0.34 H new ATOM 0 HA2 GLY A 40 -2.508 0.186 -3.374 1.00 0.25 H new ATOM 0 HA3 GLY A 40 -1.495 1.511 -2.836 1.00 0.25 H new ATOM 634 N VAL A 41 0.441 0.868 -4.702 1.00 0.54 N ATOM 635 CA VAL A 41 1.167 0.998 -5.963 1.00 0.73 C ATOM 636 C VAL A 41 0.726 -0.085 -6.942 1.00 0.78 C ATOM 637 O VAL A 41 0.522 0.174 -8.128 1.00 0.95 O ATOM 638 CB VAL A 41 2.688 0.921 -5.732 1.00 0.90 C ATOM 639 CG1 VAL A 41 3.448 0.917 -7.051 1.00 1.46 C ATOM 640 CG2 VAL A 41 3.146 2.075 -4.854 1.00 1.53 C ATOM 0 H VAL A 41 1.020 0.991 -3.871 1.00 0.54 H new ATOM 0 HA VAL A 41 0.936 1.974 -6.390 1.00 0.73 H new ATOM 0 HB VAL A 41 2.906 -0.017 -5.221 1.00 0.90 H new ATOM 0 HG11 VAL A 41 4.519 0.862 -6.854 1.00 1.46 H new ATOM 0 HG12 VAL A 41 3.143 0.055 -7.644 1.00 1.46 H new ATOM 0 HG13 VAL A 41 3.227 1.832 -7.601 1.00 1.46 H new ATOM 0 HG21 VAL A 41 4.223 2.009 -4.698 1.00 1.53 H new ATOM 0 HG22 VAL A 41 2.907 3.020 -5.342 1.00 1.53 H new ATOM 0 HG23 VAL A 41 2.637 2.024 -3.892 1.00 1.53 H new ATOM 650 N HIS A 42 0.537 -1.285 -6.414 1.00 0.68 N ATOM 651 CA HIS A 42 0.070 -2.402 -7.212 1.00 0.76 C ATOM 652 C HIS A 42 -1.440 -2.287 -7.384 1.00 0.71 C ATOM 653 O HIS A 42 -1.983 -2.565 -8.454 1.00 0.84 O ATOM 654 CB HIS A 42 0.429 -3.728 -6.542 1.00 0.78 C ATOM 655 CG HIS A 42 1.901 -3.925 -6.352 1.00 1.62 C ATOM 656 ND1 HIS A 42 2.799 -3.947 -7.399 1.00 2.42 N ATOM 657 CD2 HIS A 42 2.634 -4.109 -5.228 1.00 2.23 C ATOM 658 CE1 HIS A 42 4.019 -4.137 -6.926 1.00 3.43 C ATOM 659 NE2 HIS A 42 3.944 -4.238 -5.613 1.00 3.33 N ATOM 0 H HIS A 42 0.701 -1.508 -5.432 1.00 0.68 H new ATOM 0 HA HIS A 42 0.554 -2.378 -8.189 1.00 0.76 H new ATOM 0 HB2 HIS A 42 -0.064 -3.780 -5.571 1.00 0.78 H new ATOM 0 HB3 HIS A 42 0.036 -4.548 -7.144 1.00 0.78 H new ATOM 0 HD2 HIS A 42 2.257 -4.147 -4.217 1.00 2.23 H new ATOM 0 HE1 HIS A 42 4.923 -4.199 -7.514 1.00 3.43 H new ATOM 0 HE2 HIS A 42 4.734 -4.388 -4.985 1.00 3.33 H new ATOM 668 N VAL A 43 -2.106 -1.862 -6.311 1.00 0.57 N ATOM 669 CA VAL A 43 -3.553 -1.689 -6.316 1.00 0.58 C ATOM 670 C VAL A 43 -3.954 -0.256 -6.681 1.00 0.56 C ATOM 671 O VAL A 43 -4.916 0.286 -6.136 1.00 0.55 O ATOM 672 CB VAL A 43 -4.175 -2.056 -4.948 1.00 0.53 C ATOM 673 CG1 VAL A 43 -5.690 -2.009 -5.041 1.00 0.62 C ATOM 674 CG2 VAL A 43 -3.712 -3.436 -4.511 1.00 0.56 C ATOM 0 H VAL A 43 -1.660 -1.631 -5.423 1.00 0.57 H new ATOM 0 HA VAL A 43 -3.939 -2.368 -7.077 1.00 0.58 H new ATOM 0 HB VAL A 43 -3.846 -1.332 -4.203 1.00 0.53 H new ATOM 0 HG11 VAL A 43 -6.122 -2.268 -4.075 1.00 0.62 H new ATOM 0 HG12 VAL A 43 -6.006 -1.004 -5.322 1.00 0.62 H new ATOM 0 HG13 VAL A 43 -6.031 -2.720 -5.793 1.00 0.62 H new ATOM 0 HG21 VAL A 43 -4.158 -3.681 -3.547 1.00 0.56 H new ATOM 0 HG22 VAL A 43 -4.020 -4.174 -5.251 1.00 0.56 H new ATOM 0 HG23 VAL A 43 -2.626 -3.444 -4.421 1.00 0.56 H new ATOM 684 N ALA A 44 -3.227 0.353 -7.616 1.00 0.62 N ATOM 685 CA ALA A 44 -3.536 1.714 -8.052 1.00 0.63 C ATOM 686 C ALA A 44 -3.564 2.687 -6.880 1.00 0.50 C ATOM 687 O ALA A 44 -4.600 3.280 -6.582 1.00 0.51 O ATOM 688 CB ALA A 44 -4.869 1.735 -8.786 1.00 0.75 C ATOM 0 H ALA A 44 -2.425 -0.070 -8.084 1.00 0.62 H new ATOM 0 HA ALA A 44 -2.745 2.036 -8.729 1.00 0.63 H new ATOM 0 HB1 ALA A 44 -5.091 2.753 -9.107 1.00 0.75 H new ATOM 0 HB2 ALA A 44 -4.815 1.083 -9.658 1.00 0.75 H new ATOM 0 HB3 ALA A 44 -5.657 1.385 -8.119 1.00 0.75 H new ATOM 694 N GLU A 45 -2.424 2.849 -6.218 1.00 0.46 N ATOM 695 CA GLU A 45 -2.338 3.756 -5.078 1.00 0.37 C ATOM 696 C GLU A 45 -2.756 5.170 -5.467 1.00 0.35 C ATOM 697 O GLU A 45 -3.504 5.828 -4.743 1.00 0.39 O ATOM 698 CB GLU A 45 -0.912 3.790 -4.504 1.00 0.48 C ATOM 699 CG GLU A 45 -0.682 4.881 -3.471 1.00 0.57 C ATOM 700 CD GLU A 45 0.781 5.036 -3.099 1.00 0.76 C ATOM 701 OE1 GLU A 45 1.615 4.288 -3.651 1.00 1.21 O ATOM 702 OE2 GLU A 45 1.092 5.904 -2.258 1.00 1.28 O ATOM 0 H GLU A 45 -1.554 2.369 -6.448 1.00 0.46 H new ATOM 0 HA GLU A 45 -3.021 3.379 -4.316 1.00 0.37 H new ATOM 0 HB2 GLU A 45 -0.692 2.824 -4.050 1.00 0.48 H new ATOM 0 HB3 GLU A 45 -0.206 3.926 -5.323 1.00 0.48 H new ATOM 0 HG2 GLU A 45 -1.056 5.828 -3.859 1.00 0.57 H new ATOM 0 HG3 GLU A 45 -1.259 4.654 -2.574 1.00 0.57 H new ATOM 709 N ASP A 46 -2.247 5.642 -6.600 1.00 0.38 N ATOM 710 CA ASP A 46 -2.545 6.991 -7.068 1.00 0.43 C ATOM 711 C ASP A 46 -3.853 7.064 -7.856 1.00 0.45 C ATOM 712 O ASP A 46 -4.070 8.014 -8.608 1.00 0.67 O ATOM 713 CB ASP A 46 -1.395 7.509 -7.935 1.00 0.57 C ATOM 714 CG ASP A 46 -0.079 7.549 -7.183 1.00 1.40 C ATOM 715 OD1 ASP A 46 -0.004 8.257 -6.156 1.00 2.07 O ATOM 716 OD2 ASP A 46 0.875 6.875 -7.622 1.00 2.14 O ATOM 0 H ASP A 46 -1.627 5.111 -7.211 1.00 0.38 H new ATOM 0 HA ASP A 46 -2.661 7.617 -6.183 1.00 0.43 H new ATOM 0 HB2 ASP A 46 -1.290 6.872 -8.813 1.00 0.57 H new ATOM 0 HB3 ASP A 46 -1.636 8.510 -8.294 1.00 0.57 H new ATOM 721 N VAL A 47 -4.727 6.076 -7.686 1.00 0.35 N ATOM 722 CA VAL A 47 -5.999 6.076 -8.397 1.00 0.41 C ATOM 723 C VAL A 47 -7.168 6.152 -7.434 1.00 0.41 C ATOM 724 O VAL A 47 -8.074 6.966 -7.608 1.00 0.51 O ATOM 725 CB VAL A 47 -6.145 4.816 -9.271 1.00 0.50 C ATOM 726 CG1 VAL A 47 -7.478 4.817 -10.006 1.00 0.59 C ATOM 727 CG2 VAL A 47 -4.987 4.712 -10.252 1.00 0.56 C ATOM 0 H VAL A 47 -4.580 5.276 -7.071 1.00 0.35 H new ATOM 0 HA VAL A 47 -6.007 6.959 -9.036 1.00 0.41 H new ATOM 0 HB VAL A 47 -6.122 3.943 -8.619 1.00 0.50 H new ATOM 0 HG11 VAL A 47 -7.558 3.917 -10.616 1.00 0.59 H new ATOM 0 HG12 VAL A 47 -8.293 4.838 -9.282 1.00 0.59 H new ATOM 0 HG13 VAL A 47 -7.540 5.697 -10.647 1.00 0.59 H new ATOM 0 HG21 VAL A 47 -5.106 3.816 -10.862 1.00 0.56 H new ATOM 0 HG22 VAL A 47 -4.976 5.591 -10.897 1.00 0.56 H new ATOM 0 HG23 VAL A 47 -4.048 4.654 -9.702 1.00 0.56 H new ATOM 737 N ALA A 48 -7.148 5.308 -6.418 1.00 0.38 N ATOM 738 CA ALA A 48 -8.215 5.305 -5.440 1.00 0.44 C ATOM 739 C ALA A 48 -7.959 6.340 -4.343 1.00 0.39 C ATOM 740 O ALA A 48 -8.870 6.702 -3.599 1.00 0.46 O ATOM 741 CB ALA A 48 -8.405 3.910 -4.878 1.00 0.52 C ATOM 0 H ALA A 48 -6.411 4.623 -6.251 1.00 0.38 H new ATOM 0 HA ALA A 48 -9.144 5.593 -5.932 1.00 0.44 H new ATOM 0 HB1 ALA A 48 -9.210 3.920 -4.143 1.00 0.52 H new ATOM 0 HB2 ALA A 48 -8.659 3.224 -5.686 1.00 0.52 H new ATOM 0 HB3 ALA A 48 -7.482 3.581 -4.400 1.00 0.52 H new ATOM 747 N LYS A 49 -6.717 6.840 -4.265 1.00 0.35 N ATOM 748 CA LYS A 49 -6.361 7.863 -3.279 1.00 0.41 C ATOM 749 C LYS A 49 -7.364 8.996 -3.326 1.00 0.43 C ATOM 750 O LYS A 49 -7.663 9.631 -2.314 1.00 0.59 O ATOM 751 CB LYS A 49 -4.960 8.410 -3.555 1.00 0.49 C ATOM 752 CG LYS A 49 -4.849 9.152 -4.879 1.00 1.19 C ATOM 753 CD LYS A 49 -3.494 9.826 -5.032 1.00 1.51 C ATOM 754 CE LYS A 49 -3.284 10.900 -3.978 1.00 1.95 C ATOM 755 NZ LYS A 49 -1.979 11.596 -4.149 1.00 2.65 N ATOM 0 H LYS A 49 -5.948 6.553 -4.871 1.00 0.35 H new ATOM 0 HA LYS A 49 -6.373 7.407 -2.289 1.00 0.41 H new ATOM 0 HB2 LYS A 49 -4.675 9.082 -2.746 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -4.248 7.584 -3.549 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -5.004 8.454 -5.702 1.00 1.19 H new ATOM 0 HG3 LYS A 49 -5.638 9.901 -4.944 1.00 1.19 H new ATOM 0 HD2 LYS A 49 -2.704 9.079 -4.954 1.00 1.51 H new ATOM 0 HD3 LYS A 49 -3.417 10.269 -6.025 1.00 1.51 H new ATOM 0 HE2 LYS A 49 -4.094 11.627 -4.034 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -3.328 10.450 -2.986 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 -1.873 12.321 -3.411 1.00 2.65 H new ATOM 0 HZ2 LYS A 49 -1.205 10.906 -4.070 1.00 2.65 H new ATOM 0 HZ3 LYS A 49 -1.946 12.048 -5.085 1.00 2.65 H new ATOM 769 N ASP A 50 -7.883 9.234 -4.517 1.00 0.41 N ATOM 770 CA ASP A 50 -8.861 10.279 -4.735 1.00 0.50 C ATOM 771 C ASP A 50 -10.277 9.733 -4.682 1.00 0.51 C ATOM 772 O ASP A 50 -11.192 10.275 -5.300 1.00 0.68 O ATOM 773 CB ASP A 50 -8.596 10.913 -6.085 1.00 0.58 C ATOM 774 CG ASP A 50 -7.359 11.792 -6.084 1.00 1.27 C ATOM 775 OD1 ASP A 50 -7.327 12.769 -5.307 1.00 1.69 O ATOM 776 OD2 ASP A 50 -6.424 11.502 -6.859 1.00 1.96 O ATOM 0 H ASP A 50 -7.638 8.709 -5.357 1.00 0.41 H new ATOM 0 HA ASP A 50 -8.769 11.023 -3.943 1.00 0.50 H new ATOM 0 HB2 ASP A 50 -8.480 10.129 -6.834 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -9.460 11.509 -6.378 1.00 0.58 H new ATOM 781 N TYR A 51 -10.442 8.656 -3.940 1.00 0.51 N ATOM 782 CA TYR A 51 -11.736 8.015 -3.794 1.00 0.57 C ATOM 783 C TYR A 51 -12.291 8.188 -2.387 1.00 0.52 C ATOM 784 O TYR A 51 -13.425 8.626 -2.192 1.00 0.58 O ATOM 785 CB TYR A 51 -11.604 6.529 -4.069 1.00 0.66 C ATOM 786 CG TYR A 51 -12.936 5.811 -4.137 1.00 0.68 C ATOM 787 CD1 TYR A 51 -13.774 5.740 -3.029 1.00 0.72 C ATOM 788 CD2 TYR A 51 -13.376 5.242 -5.324 1.00 1.08 C ATOM 789 CE1 TYR A 51 -15.006 5.120 -3.103 1.00 0.78 C ATOM 790 CE2 TYR A 51 -14.610 4.625 -5.407 1.00 1.16 C ATOM 791 CZ TYR A 51 -15.422 4.569 -4.295 1.00 0.86 C ATOM 792 OH TYR A 51 -16.650 3.955 -4.374 1.00 0.99 O ATOM 0 H TYR A 51 -9.689 8.202 -3.424 1.00 0.51 H new ATOM 0 HA TYR A 51 -12.416 8.485 -4.505 1.00 0.57 H new ATOM 0 HB2 TYR A 51 -11.074 6.387 -5.011 1.00 0.66 H new ATOM 0 HB3 TYR A 51 -10.994 6.075 -3.288 1.00 0.66 H new ATOM 0 HD1 TYR A 51 -13.456 6.177 -2.094 1.00 0.72 H new ATOM 0 HD2 TYR A 51 -12.743 5.282 -6.198 1.00 1.08 H new ATOM 0 HE1 TYR A 51 -15.640 5.067 -2.230 1.00 0.78 H new ATOM 0 HE2 TYR A 51 -14.936 4.189 -6.339 1.00 1.16 H new ATOM 0 HH TYR A 51 -16.576 3.144 -4.920 1.00 0.99 H new ATOM 802 N GLU A 52 -11.479 7.793 -1.422 1.00 0.49 N ATOM 803 CA GLU A 52 -11.854 7.837 -0.004 1.00 0.58 C ATOM 804 C GLU A 52 -11.486 9.166 0.608 1.00 0.57 C ATOM 805 O GLU A 52 -12.326 9.877 1.157 1.00 0.66 O ATOM 806 CB GLU A 52 -11.122 6.724 0.738 1.00 0.78 C ATOM 807 CG GLU A 52 -11.747 6.322 2.065 1.00 1.39 C ATOM 808 CD GLU A 52 -11.322 7.220 3.210 1.00 2.19 C ATOM 809 OE1 GLU A 52 -10.635 8.230 2.946 1.00 2.76 O ATOM 810 OE2 GLU A 52 -11.676 6.918 4.368 1.00 2.81 O ATOM 0 H GLU A 52 -10.540 7.432 -1.591 1.00 0.49 H new ATOM 0 HA GLU A 52 -12.933 7.704 0.078 1.00 0.58 H new ATOM 0 HB2 GLU A 52 -11.076 5.846 0.094 1.00 0.78 H new ATOM 0 HB3 GLU A 52 -10.095 7.041 0.918 1.00 0.78 H new ATOM 0 HG2 GLU A 52 -12.833 6.348 1.973 1.00 1.39 H new ATOM 0 HG3 GLU A 52 -11.471 5.293 2.295 1.00 1.39 H new ATOM 817 N ASP A 53 -10.204 9.470 0.497 1.00 0.57 N ATOM 818 CA ASP A 53 -9.614 10.702 1.014 1.00 0.66 C ATOM 819 C ASP A 53 -10.607 11.866 0.941 1.00 0.78 C ATOM 820 O ASP A 53 -10.668 12.705 1.838 1.00 0.99 O ATOM 821 CB ASP A 53 -8.351 11.014 0.212 1.00 0.69 C ATOM 822 CG ASP A 53 -7.492 12.078 0.867 1.00 1.27 C ATOM 823 OD1 ASP A 53 -7.047 11.858 2.014 1.00 2.12 O ATOM 824 OD2 ASP A 53 -7.265 13.131 0.236 1.00 1.61 O ATOM 0 H ASP A 53 -9.528 8.859 0.038 1.00 0.57 H new ATOM 0 HA ASP A 53 -9.358 10.565 2.065 1.00 0.66 H new ATOM 0 HB2 ASP A 53 -7.766 10.102 0.094 1.00 0.69 H new ATOM 0 HB3 ASP A 53 -8.632 11.344 -0.788 1.00 0.69 H new ATOM 829 N GLY A 54 -11.410 11.873 -0.120 1.00 0.76 N ATOM 830 CA GLY A 54 -12.425 12.897 -0.282 1.00 0.99 C ATOM 831 C GLY A 54 -13.727 12.488 0.380 1.00 1.06 C ATOM 832 O GLY A 54 -14.319 13.257 1.138 1.00 1.27 O ATOM 0 H GLY A 54 -11.374 11.185 -0.872 1.00 0.76 H new ATOM 0 HA2 GLY A 54 -12.073 13.834 0.150 1.00 0.99 H new ATOM 0 HA3 GLY A 54 -12.595 13.080 -1.343 1.00 0.99 H new ATOM 836 N LEU A 55 -14.159 11.258 0.104 1.00 0.96 N ATOM 837 CA LEU A 55 -15.384 10.713 0.683 1.00 1.08 C ATOM 838 C LEU A 55 -15.223 10.522 2.194 1.00 1.17 C ATOM 839 O LEU A 55 -15.404 11.467 2.961 1.00 1.46 O ATOM 840 CB LEU A 55 -15.753 9.395 -0.007 1.00 1.14 C ATOM 841 CG LEU A 55 -16.106 9.518 -1.491 1.00 1.50 C ATOM 842 CD1 LEU A 55 -16.442 8.155 -2.073 1.00 2.32 C ATOM 843 CD2 LEU A 55 -17.265 10.484 -1.684 1.00 2.04 C ATOM 0 H LEU A 55 -13.673 10.616 -0.523 1.00 0.96 H new ATOM 0 HA LEU A 55 -16.197 11.420 0.521 1.00 1.08 H new ATOM 0 HB2 LEU A 55 -14.918 8.702 0.096 1.00 1.14 H new ATOM 0 HB3 LEU A 55 -16.600 8.953 0.517 1.00 1.14 H new ATOM 0 HG LEU A 55 -15.239 9.912 -2.021 1.00 1.50 H new ATOM 0 HD11 LEU A 55 -16.691 8.261 -3.129 1.00 2.32 H new ATOM 0 HD12 LEU A 55 -15.583 7.492 -1.967 1.00 2.32 H new ATOM 0 HD13 LEU A 55 -17.294 7.732 -1.541 1.00 2.32 H new ATOM 0 HD21 LEU A 55 -17.503 10.560 -2.745 1.00 2.04 H new ATOM 0 HD22 LEU A 55 -18.137 10.119 -1.142 1.00 2.04 H new ATOM 0 HD23 LEU A 55 -16.987 11.467 -1.304 1.00 2.04 H new ATOM 855 N GLU A 56 -14.874 9.309 2.626 1.00 1.14 N ATOM 856 CA GLU A 56 -14.692 9.027 4.046 1.00 1.35 C ATOM 857 C GLU A 56 -13.438 9.720 4.584 1.00 1.40 C ATOM 858 O GLU A 56 -12.510 9.066 5.056 1.00 1.53 O ATOM 859 CB GLU A 56 -14.602 7.515 4.273 1.00 1.50 C ATOM 860 CG GLU A 56 -14.481 7.114 5.735 1.00 2.03 C ATOM 861 CD GLU A 56 -15.662 7.576 6.566 1.00 2.47 C ATOM 862 OE1 GLU A 56 -16.802 7.170 6.256 1.00 2.96 O ATOM 863 OE2 GLU A 56 -15.447 8.343 7.528 1.00 2.88 O ATOM 0 H GLU A 56 -14.713 8.510 2.013 1.00 1.14 H new ATOM 0 HA GLU A 56 -15.554 9.417 4.588 1.00 1.35 H new ATOM 0 HB2 GLU A 56 -15.487 7.041 3.849 1.00 1.50 H new ATOM 0 HB3 GLU A 56 -13.741 7.127 3.728 1.00 1.50 H new ATOM 0 HG2 GLU A 56 -14.395 6.030 5.805 1.00 2.03 H new ATOM 0 HG3 GLU A 56 -13.564 7.534 6.148 1.00 2.03 H new ATOM 870 N TYR A 57 -13.406 11.047 4.502 1.00 1.40 N ATOM 871 CA TYR A 57 -12.256 11.809 4.979 1.00 1.54 C ATOM 872 C TYR A 57 -12.046 11.596 6.474 1.00 1.86 C ATOM 873 O TYR A 57 -12.563 12.413 7.265 1.00 2.28 O ATOM 874 CB TYR A 57 -12.440 13.299 4.685 1.00 1.67 C ATOM 875 CG TYR A 57 -11.269 14.148 5.126 1.00 2.04 C ATOM 876 CD1 TYR A 57 -9.964 13.757 4.855 1.00 2.75 C ATOM 877 CD2 TYR A 57 -11.468 15.339 5.813 1.00 2.29 C ATOM 878 CE1 TYR A 57 -8.889 14.529 5.258 1.00 3.60 C ATOM 879 CE2 TYR A 57 -10.399 16.117 6.217 1.00 3.06 C ATOM 880 CZ TYR A 57 -9.113 15.706 5.939 1.00 3.70 C ATOM 881 OH TYR A 57 -8.047 16.477 6.340 1.00 4.67 O ATOM 882 OXT TYR A 57 -11.367 10.616 6.842 1.00 2.26 O ATOM 0 H TYR A 57 -14.159 11.614 4.112 1.00 1.40 H new ATOM 0 HA TYR A 57 -11.373 11.451 4.450 1.00 1.54 H new ATOM 0 HB2 TYR A 57 -12.594 13.434 3.614 1.00 1.67 H new ATOM 0 HB3 TYR A 57 -13.343 13.651 5.184 1.00 1.67 H new ATOM 0 HD1 TYR A 57 -9.786 12.835 4.321 1.00 2.75 H new ATOM 0 HD2 TYR A 57 -12.474 15.662 6.035 1.00 2.29 H new ATOM 0 HE1 TYR A 57 -7.880 14.211 5.040 1.00 3.60 H new ATOM 0 HE2 TYR A 57 -10.571 17.042 6.748 1.00 3.06 H new ATOM 0 HH TYR A 57 -8.376 17.274 6.806 1.00 4.67 H new TER 892 TYR A 57