USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 934 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 97 HIS : no HD1:sc= 0.103 K(o=-0.19,f=-2.6) USER MOD Set 1.2: A 99 SER OG : rot -90:sc= -0.295 USER MOD Set 2.1: A 53 MET CE :methyl -156:sc= -0.0155 (180deg=-0.332) USER MOD Set 2.2: A 86 ASN : amide:sc= -0.601 X(o=-0.62,f=-0.92) USER MOD Set 3.1: A 50 ASN : amide:sc= 0.217 K(o=0.45,f=-0.86!) USER MOD Set 3.2: A 82 SER OG : rot 180:sc= 0.237 USER MOD Set 4.1: A 57 THR OG1 : rot 84:sc= 1.24 USER MOD Set 4.2: A 89 THR OG1 : rot 80:sc= 0.417 USER MOD Set 5.1: A 29 TYR OH : rot -151:sc= 0.868 USER MOD Set 5.2: A 102 GLN : amide:sc= 0.383 K(o=1.3,f=-0.095) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 150:sc= 0.882 (180deg=0.747) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 176:sc= -0.636 (180deg=-0.758) USER MOD Single : A 33 GLN : amide:sc= -0.232 K(o=-0.23,f=-0.76) USER MOD Single : A 34 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.588 K(o=-0.59,f=-5!) USER MOD Single : A 48 LYS NZ :NH3+ -123:sc= 1.22 (180deg=-0.276) USER MOD Single : A 61 SER OG : rot 173:sc= 1.31 USER MOD Single : A 67 HIS : no HD1:sc= 0.687 K(o=0.69,f=-6.5!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -42:sc= 0.578 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 94:sc= 0.00452 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0.0491 X(o=0.049,f=0) USER MOD Single : A 107 THR OG1 : rot -9:sc= 1.15 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.698 11.779 -12.194 1.00 0.00 N ATOM 2 CA GLY A 1 21.091 12.602 -11.145 1.00 0.00 C ATOM 3 C GLY A 1 19.886 13.318 -11.707 1.00 0.00 C ATOM 4 O GLY A 1 20.051 14.430 -12.209 1.00 0.00 O ATOM 0 H1 GLY A 1 22.528 11.284 -11.810 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.005 11.081 -12.532 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.992 12.386 -12.985 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.797 11.977 -10.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.815 13.325 -10.769 1.00 0.00 H new ATOM 8 N SER A 2 18.701 12.703 -11.652 1.00 0.00 N ATOM 9 CA SER A 2 17.465 13.357 -12.055 1.00 0.00 C ATOM 10 C SER A 2 16.291 12.839 -11.226 1.00 0.00 C ATOM 11 O SER A 2 16.331 11.708 -10.728 1.00 0.00 O ATOM 12 CB SER A 2 17.243 13.187 -13.564 1.00 0.00 C ATOM 13 OG SER A 2 17.380 11.853 -14.036 1.00 0.00 O ATOM 0 H SER A 2 18.578 11.744 -11.328 1.00 0.00 H new ATOM 0 HA SER A 2 17.541 14.427 -11.860 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.245 13.546 -13.814 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.952 13.821 -14.096 1.00 0.00 H new ATOM 0 HG SER A 2 17.222 11.830 -15.003 1.00 0.00 H new ATOM 19 N SER A 3 15.238 13.647 -11.118 1.00 0.00 N ATOM 20 CA SER A 3 14.022 13.366 -10.363 1.00 0.00 C ATOM 21 C SER A 3 12.792 13.804 -11.162 1.00 0.00 C ATOM 22 O SER A 3 12.916 14.390 -12.243 1.00 0.00 O ATOM 23 CB SER A 3 14.062 14.124 -9.028 1.00 0.00 C ATOM 24 OG SER A 3 15.149 13.736 -8.215 1.00 0.00 O ATOM 0 H SER A 3 15.210 14.558 -11.577 1.00 0.00 H new ATOM 0 HA SER A 3 13.960 12.294 -10.175 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.124 15.194 -9.224 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.130 13.952 -8.489 1.00 0.00 H new ATOM 0 HG SER A 3 15.131 14.247 -7.379 1.00 0.00 H new ATOM 30 N GLY A 4 11.608 13.554 -10.609 1.00 0.00 N ATOM 31 CA GLY A 4 10.317 14.094 -11.001 1.00 0.00 C ATOM 32 C GLY A 4 9.559 14.437 -9.716 1.00 0.00 C ATOM 33 O GLY A 4 10.121 14.284 -8.627 1.00 0.00 O ATOM 0 H GLY A 4 11.524 12.920 -9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.444 14.981 -11.621 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.760 13.368 -11.594 1.00 0.00 H new ATOM 37 N SER A 5 8.318 14.911 -9.837 1.00 0.00 N ATOM 38 CA SER A 5 7.364 15.133 -8.755 1.00 0.00 C ATOM 39 C SER A 5 7.959 15.670 -7.445 1.00 0.00 C ATOM 40 O SER A 5 8.098 14.943 -6.459 1.00 0.00 O ATOM 41 CB SER A 5 6.556 13.847 -8.554 1.00 0.00 C ATOM 42 OG SER A 5 5.700 13.652 -9.668 1.00 0.00 O ATOM 0 H SER A 5 7.932 15.164 -10.747 1.00 0.00 H new ATOM 0 HA SER A 5 6.711 15.949 -9.064 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.228 12.996 -8.443 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.970 13.912 -7.637 1.00 0.00 H new ATOM 0 HG SER A 5 5.183 12.829 -9.543 1.00 0.00 H new ATOM 48 N SER A 6 8.233 16.975 -7.398 1.00 0.00 N ATOM 49 CA SER A 6 8.389 17.706 -6.144 1.00 0.00 C ATOM 50 C SER A 6 7.729 19.084 -6.250 1.00 0.00 C ATOM 51 O SER A 6 7.515 19.595 -7.354 1.00 0.00 O ATOM 52 CB SER A 6 9.864 17.773 -5.742 1.00 0.00 C ATOM 53 OG SER A 6 10.679 18.374 -6.733 1.00 0.00 O ATOM 0 H SER A 6 8.353 17.553 -8.230 1.00 0.00 H new ATOM 0 HA SER A 6 7.876 17.173 -5.343 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.957 18.335 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.227 16.765 -5.543 1.00 0.00 H new ATOM 0 HG SER A 6 11.609 18.393 -6.425 1.00 0.00 H new ATOM 59 N GLY A 7 7.408 19.704 -5.112 1.00 0.00 N ATOM 60 CA GLY A 7 6.519 20.861 -5.064 1.00 0.00 C ATOM 61 C GLY A 7 5.063 20.453 -5.272 1.00 0.00 C ATOM 62 O GLY A 7 4.305 21.172 -5.925 1.00 0.00 O ATOM 0 H GLY A 7 7.759 19.416 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.624 21.363 -4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.811 21.578 -5.831 1.00 0.00 H new ATOM 66 N THR A 8 4.675 19.284 -4.761 1.00 0.00 N ATOM 67 CA THR A 8 3.337 18.719 -4.903 1.00 0.00 C ATOM 68 C THR A 8 2.431 19.269 -3.780 1.00 0.00 C ATOM 69 O THR A 8 2.675 20.387 -3.308 1.00 0.00 O ATOM 70 CB THR A 8 3.447 17.187 -5.043 1.00 0.00 C ATOM 71 OG1 THR A 8 3.936 16.563 -3.867 1.00 0.00 O ATOM 72 CG2 THR A 8 4.369 16.827 -6.218 1.00 0.00 C ATOM 0 H THR A 8 5.303 18.688 -4.221 1.00 0.00 H new ATOM 0 HA THR A 8 2.836 19.031 -5.819 1.00 0.00 H new ATOM 0 HB THR A 8 2.437 16.818 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.985 15.594 -4.007 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.439 15.743 -6.307 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.962 17.241 -7.140 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.362 17.241 -6.042 1.00 0.00 H new ATOM 80 N VAL A 9 1.368 18.558 -3.385 1.00 0.00 N ATOM 81 CA VAL A 9 0.361 18.985 -2.403 1.00 0.00 C ATOM 82 C VAL A 9 1.038 19.618 -1.176 1.00 0.00 C ATOM 83 O VAL A 9 1.929 19.006 -0.570 1.00 0.00 O ATOM 84 CB VAL A 9 -0.553 17.797 -2.016 1.00 0.00 C ATOM 85 CG1 VAL A 9 -1.801 18.300 -1.273 1.00 0.00 C ATOM 86 CG2 VAL A 9 -1.015 16.983 -3.239 1.00 0.00 C ATOM 0 H VAL A 9 1.177 17.628 -3.757 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.272 19.750 -2.853 1.00 0.00 H new ATOM 0 HB VAL A 9 0.044 17.149 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.433 17.452 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.498 18.824 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.358 18.981 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.653 16.163 -2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.574 17.629 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.145 16.581 -3.758 1.00 0.00 H new ATOM 96 N ALA A 10 0.706 20.880 -0.880 1.00 0.00 N ATOM 97 CA ALA A 10 1.375 21.674 0.143 1.00 0.00 C ATOM 98 C ALA A 10 0.829 21.310 1.524 1.00 0.00 C ATOM 99 O ALA A 10 -0.068 21.967 2.059 1.00 0.00 O ATOM 100 CB ALA A 10 1.232 23.167 -0.158 1.00 0.00 C ATOM 0 H ALA A 10 -0.046 21.380 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 10 2.441 21.448 0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.737 23.744 0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.681 23.388 -1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.176 23.434 -0.178 1.00 0.00 H new ATOM 106 N SER A 11 1.381 20.253 2.100 1.00 0.00 N ATOM 107 CA SER A 11 1.061 19.739 3.422 1.00 0.00 C ATOM 108 C SER A 11 2.376 19.290 4.085 1.00 0.00 C ATOM 109 O SER A 11 3.447 19.399 3.472 1.00 0.00 O ATOM 110 CB SER A 11 -0.021 18.644 3.296 1.00 0.00 C ATOM 111 OG SER A 11 -0.187 18.165 1.972 1.00 0.00 O ATOM 0 H SER A 11 2.102 19.702 1.633 1.00 0.00 H new ATOM 0 HA SER A 11 0.625 20.494 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.240 17.809 3.946 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.972 19.040 3.653 1.00 0.00 H new ATOM 0 HG SER A 11 -0.883 17.475 1.959 1.00 0.00 H new ATOM 117 N ARG A 12 2.342 18.879 5.357 1.00 0.00 N ATOM 118 CA ARG A 12 3.496 18.323 6.069 1.00 0.00 C ATOM 119 C ARG A 12 3.014 17.319 7.102 1.00 0.00 C ATOM 120 O ARG A 12 3.342 16.137 7.016 1.00 0.00 O ATOM 121 CB ARG A 12 4.326 19.411 6.771 1.00 0.00 C ATOM 122 CG ARG A 12 5.461 19.966 5.907 1.00 0.00 C ATOM 123 CD ARG A 12 6.426 20.737 6.810 1.00 0.00 C ATOM 124 NE ARG A 12 7.694 21.025 6.132 1.00 0.00 N ATOM 125 CZ ARG A 12 8.716 21.689 6.682 1.00 0.00 C ATOM 126 NH1 ARG A 12 8.607 22.195 7.907 1.00 0.00 N ATOM 127 NH2 ARG A 12 9.840 21.879 6.003 1.00 0.00 N ATOM 0 H ARG A 12 1.499 18.924 5.929 1.00 0.00 H new ATOM 0 HA ARG A 12 4.137 17.840 5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.667 20.229 7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.746 19.000 7.689 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.983 19.154 5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.062 20.621 5.132 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.961 21.672 7.124 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.620 20.158 7.713 1.00 0.00 H new ATOM 0 HE ARG A 12 7.804 20.695 5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.740 22.077 8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.390 22.701 8.321 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.930 21.517 5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.614 22.387 6.431 1.00 0.00 H new ATOM 141 N LEU A 13 2.280 17.798 8.106 1.00 0.00 N ATOM 142 CA LEU A 13 1.583 17.013 9.113 1.00 0.00 C ATOM 143 C LEU A 13 0.441 17.834 9.688 1.00 0.00 C ATOM 144 O LEU A 13 0.546 19.062 9.777 1.00 0.00 O ATOM 145 CB LEU A 13 2.533 16.372 10.144 1.00 0.00 C ATOM 146 CG LEU A 13 3.150 17.235 11.248 1.00 0.00 C ATOM 147 CD1 LEU A 13 3.853 18.493 10.738 1.00 0.00 C ATOM 148 CD2 LEU A 13 2.093 17.564 12.296 1.00 0.00 C ATOM 0 H LEU A 13 2.151 18.801 8.242 1.00 0.00 H new ATOM 0 HA LEU A 13 1.130 16.139 8.646 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.988 15.563 10.630 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.354 15.916 9.591 1.00 0.00 H new ATOM 0 HG LEU A 13 3.943 16.643 11.705 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.262 19.048 11.582 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.661 18.210 10.063 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.137 19.119 10.205 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.536 18.178 13.080 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.274 18.109 11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.712 16.640 12.731 1.00 0.00 H new ATOM 160 N SER A 14 -0.629 17.161 10.102 1.00 0.00 N ATOM 161 CA SER A 14 -1.816 17.791 10.666 1.00 0.00 C ATOM 162 C SER A 14 -2.419 16.988 11.824 1.00 0.00 C ATOM 163 O SER A 14 -3.316 17.487 12.501 1.00 0.00 O ATOM 164 CB SER A 14 -2.847 17.973 9.546 1.00 0.00 C ATOM 165 OG SER A 14 -2.314 18.745 8.481 1.00 0.00 O ATOM 0 H SER A 14 -0.695 16.144 10.053 1.00 0.00 H new ATOM 0 HA SER A 14 -1.526 18.756 11.083 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.158 16.998 9.172 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.737 18.461 9.943 1.00 0.00 H new ATOM 0 HG SER A 14 -2.990 18.845 7.779 1.00 0.00 H new ATOM 171 N ASP A 15 -1.951 15.762 12.062 1.00 0.00 N ATOM 172 CA ASP A 15 -2.364 14.867 13.141 1.00 0.00 C ATOM 173 C ASP A 15 -1.270 13.787 13.259 1.00 0.00 C ATOM 174 O ASP A 15 -0.378 13.722 12.409 1.00 0.00 O ATOM 175 CB ASP A 15 -3.764 14.300 12.824 1.00 0.00 C ATOM 176 CG ASP A 15 -4.078 13.024 13.597 1.00 0.00 C ATOM 177 OD1 ASP A 15 -3.951 13.002 14.840 1.00 0.00 O ATOM 178 OD2 ASP A 15 -4.278 11.984 12.945 1.00 0.00 O ATOM 0 H ASP A 15 -1.232 15.344 11.472 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.458 15.372 14.102 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.516 15.054 13.056 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.835 14.098 11.755 1.00 0.00 H new ATOM 183 N THR A 16 -1.272 12.967 14.307 1.00 0.00 N ATOM 184 CA THR A 16 -0.442 11.776 14.432 1.00 0.00 C ATOM 185 C THR A 16 -0.875 10.700 13.438 1.00 0.00 C ATOM 186 O THR A 16 -0.055 10.226 12.646 1.00 0.00 O ATOM 187 CB THR A 16 -0.534 11.269 15.880 1.00 0.00 C ATOM 188 OG1 THR A 16 0.055 12.226 16.734 1.00 0.00 O ATOM 189 CG2 THR A 16 0.172 9.937 16.146 1.00 0.00 C ATOM 0 H THR A 16 -1.872 13.120 15.118 1.00 0.00 H new ATOM 0 HA THR A 16 0.594 12.022 14.199 1.00 0.00 H new ATOM 0 HB THR A 16 -1.597 11.113 16.065 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.001 11.914 17.661 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.051 9.664 17.194 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.264 9.162 15.516 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.233 10.036 15.917 1.00 0.00 H new ATOM 197 N LYS A 17 -2.128 10.254 13.520 1.00 0.00 N ATOM 198 CA LYS A 17 -2.618 9.084 12.806 1.00 0.00 C ATOM 199 C LYS A 17 -2.549 9.379 11.308 1.00 0.00 C ATOM 200 O LYS A 17 -1.862 8.658 10.582 1.00 0.00 O ATOM 201 CB LYS A 17 -4.019 8.774 13.367 1.00 0.00 C ATOM 202 CG LYS A 17 -4.596 7.402 13.006 1.00 0.00 C ATOM 203 CD LYS A 17 -5.176 7.414 11.601 1.00 0.00 C ATOM 204 CE LYS A 17 -5.959 6.136 11.294 1.00 0.00 C ATOM 205 NZ LYS A 17 -6.281 6.075 9.859 1.00 0.00 N ATOM 0 H LYS A 17 -2.840 10.705 14.095 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.021 8.183 12.948 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.980 8.856 14.453 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.708 9.541 13.014 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.816 6.644 13.076 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.371 7.128 13.722 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.832 8.277 11.487 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.370 7.528 10.877 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.373 5.263 11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.876 6.112 11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.331 5.081 9.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.198 6.535 9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.542 6.565 9.316 1.00 0.00 H new ATOM 219 N ALA A 18 -3.116 10.511 10.878 1.00 0.00 N ATOM 220 CA ALA A 18 -3.099 10.971 9.496 1.00 0.00 C ATOM 221 C ALA A 18 -1.681 11.010 8.936 1.00 0.00 C ATOM 222 O ALA A 18 -1.467 10.579 7.802 1.00 0.00 O ATOM 223 CB ALA A 18 -3.733 12.361 9.395 1.00 0.00 C ATOM 0 H ALA A 18 -3.612 11.146 11.503 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.678 10.262 8.904 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.715 12.695 8.357 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.765 12.317 9.744 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.171 13.063 10.012 1.00 0.00 H new ATOM 229 N ALA A 19 -0.719 11.522 9.714 1.00 0.00 N ATOM 230 CA ALA A 19 0.649 11.702 9.254 1.00 0.00 C ATOM 231 C ALA A 19 1.392 10.387 9.047 1.00 0.00 C ATOM 232 O ALA A 19 2.363 10.365 8.289 1.00 0.00 O ATOM 233 CB ALA A 19 1.426 12.594 10.221 1.00 0.00 C ATOM 0 H ALA A 19 -0.874 11.820 10.677 1.00 0.00 H new ATOM 0 HA ALA A 19 0.583 12.185 8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.447 12.718 9.861 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.943 13.569 10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.443 12.132 11.208 1.00 0.00 H new ATOM 239 N GLY A 20 0.960 9.293 9.678 1.00 0.00 N ATOM 240 CA GLY A 20 1.546 7.987 9.425 1.00 0.00 C ATOM 241 C GLY A 20 1.141 7.500 8.037 1.00 0.00 C ATOM 242 O GLY A 20 1.985 7.039 7.267 1.00 0.00 O ATOM 0 H GLY A 20 0.207 9.292 10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.632 8.045 9.498 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.213 7.276 10.181 1.00 0.00 H new ATOM 246 N GLU A 21 -0.140 7.658 7.697 1.00 0.00 N ATOM 247 CA GLU A 21 -0.656 7.367 6.366 1.00 0.00 C ATOM 248 C GLU A 21 0.002 8.276 5.331 1.00 0.00 C ATOM 249 O GLU A 21 0.417 7.784 4.286 1.00 0.00 O ATOM 250 CB GLU A 21 -2.180 7.529 6.319 1.00 0.00 C ATOM 251 CG GLU A 21 -2.921 6.255 6.712 1.00 0.00 C ATOM 252 CD GLU A 21 -2.836 5.949 8.195 1.00 0.00 C ATOM 253 OE1 GLU A 21 -3.708 6.475 8.919 1.00 0.00 O ATOM 254 OE2 GLU A 21 -1.906 5.220 8.611 1.00 0.00 O ATOM 0 H GLU A 21 -0.851 7.995 8.346 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.416 6.330 6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.476 8.337 6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.479 7.822 5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.969 6.349 6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.511 5.416 6.150 1.00 0.00 H new ATOM 261 N VAL A 22 0.146 9.576 5.614 1.00 0.00 N ATOM 262 CA VAL A 22 0.841 10.489 4.711 1.00 0.00 C ATOM 263 C VAL A 22 2.261 9.993 4.487 1.00 0.00 C ATOM 264 O VAL A 22 2.658 9.883 3.336 1.00 0.00 O ATOM 265 CB VAL A 22 0.858 11.937 5.230 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.767 12.836 4.372 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.546 12.543 5.213 1.00 0.00 C ATOM 0 H VAL A 22 -0.211 10.015 6.462 1.00 0.00 H new ATOM 0 HA VAL A 22 0.294 10.501 3.768 1.00 0.00 H new ATOM 0 HB VAL A 22 1.240 11.893 6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.754 13.851 4.769 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.786 12.451 4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.405 12.844 3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.505 13.567 5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.930 12.543 4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.205 11.952 5.849 1.00 0.00 H new ATOM 277 N LYS A 23 3.043 9.710 5.538 1.00 0.00 N ATOM 278 CA LYS A 23 4.450 9.345 5.360 1.00 0.00 C ATOM 279 C LYS A 23 4.559 8.090 4.503 1.00 0.00 C ATOM 280 O LYS A 23 5.423 8.029 3.634 1.00 0.00 O ATOM 281 CB LYS A 23 5.151 9.209 6.725 1.00 0.00 C ATOM 282 CG LYS A 23 6.641 9.589 6.695 1.00 0.00 C ATOM 283 CD LYS A 23 7.641 8.488 6.311 1.00 0.00 C ATOM 284 CE LYS A 23 7.836 7.446 7.422 1.00 0.00 C ATOM 285 NZ LYS A 23 8.936 6.503 7.118 1.00 0.00 N ATOM 0 H LYS A 23 2.728 9.727 6.508 1.00 0.00 H new ATOM 0 HA LYS A 23 4.971 10.140 4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.639 9.840 7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.054 8.180 7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.764 10.416 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.914 9.963 7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.294 7.988 5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.602 8.944 6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.046 7.955 8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.910 6.888 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.031 5.818 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.725 5.997 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.826 7.031 7.011 1.00 0.00 H new ATOM 299 N ALA A 24 3.653 7.130 4.709 1.00 0.00 N ATOM 300 CA ALA A 24 3.498 5.970 3.838 1.00 0.00 C ATOM 301 C ALA A 24 3.226 6.404 2.390 1.00 0.00 C ATOM 302 O ALA A 24 3.983 6.033 1.504 1.00 0.00 O ATOM 303 CB ALA A 24 2.423 5.020 4.388 1.00 0.00 C ATOM 0 H ALA A 24 3.002 7.140 5.494 1.00 0.00 H new ATOM 0 HA ALA A 24 4.434 5.412 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.322 4.161 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.713 4.679 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.470 5.545 4.449 1.00 0.00 H new ATOM 309 N LEU A 25 2.194 7.209 2.127 1.00 0.00 N ATOM 310 CA LEU A 25 1.859 7.665 0.773 1.00 0.00 C ATOM 311 C LEU A 25 3.037 8.395 0.113 1.00 0.00 C ATOM 312 O LEU A 25 3.298 8.217 -1.068 1.00 0.00 O ATOM 313 CB LEU A 25 0.667 8.624 0.846 1.00 0.00 C ATOM 314 CG LEU A 25 0.138 9.042 -0.539 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.000 8.146 -1.029 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.311 10.495 -0.420 1.00 0.00 C ATOM 0 H LEU A 25 1.565 7.564 2.847 1.00 0.00 H new ATOM 0 HA LEU A 25 1.618 6.787 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.138 8.150 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.960 9.516 1.400 1.00 0.00 H new ATOM 0 HG LEU A 25 0.926 8.934 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.334 8.486 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.647 7.117 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.831 8.195 -0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.695 10.837 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.095 10.573 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.536 11.115 -0.127 1.00 0.00 H new ATOM 328 N ASP A 26 3.730 9.239 0.873 1.00 0.00 N ATOM 329 CA ASP A 26 4.873 10.051 0.454 1.00 0.00 C ATOM 330 C ASP A 26 5.983 9.138 -0.025 1.00 0.00 C ATOM 331 O ASP A 26 6.542 9.323 -1.105 1.00 0.00 O ATOM 332 CB ASP A 26 5.368 10.856 1.666 1.00 0.00 C ATOM 333 CG ASP A 26 5.939 12.232 1.356 1.00 0.00 C ATOM 334 OD1 ASP A 26 5.175 13.076 0.833 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.029 12.556 1.881 1.00 0.00 O ATOM 0 H ASP A 26 3.496 9.384 1.855 1.00 0.00 H new ATOM 0 HA ASP A 26 4.582 10.724 -0.352 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.538 10.976 2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.133 10.273 2.179 1.00 0.00 H new ATOM 340 N ASP A 27 6.290 8.144 0.813 1.00 0.00 N ATOM 341 CA ASP A 27 7.373 7.211 0.590 1.00 0.00 C ATOM 342 C ASP A 27 7.065 6.328 -0.625 1.00 0.00 C ATOM 343 O ASP A 27 7.935 6.057 -1.460 1.00 0.00 O ATOM 344 CB ASP A 27 7.577 6.336 1.835 1.00 0.00 C ATOM 345 CG ASP A 27 8.921 5.623 1.808 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.912 6.213 2.294 1.00 0.00 O ATOM 347 OD2 ASP A 27 9.005 4.463 1.348 1.00 0.00 O ATOM 0 H ASP A 27 5.778 7.971 1.678 1.00 0.00 H new ATOM 0 HA ASP A 27 8.287 7.772 0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.512 6.955 2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.776 5.600 1.898 1.00 0.00 H new ATOM 352 N PHE A 28 5.793 5.929 -0.728 1.00 0.00 N ATOM 353 CA PHE A 28 5.222 5.156 -1.810 1.00 0.00 C ATOM 354 C PHE A 28 5.328 5.927 -3.123 1.00 0.00 C ATOM 355 O PHE A 28 5.906 5.424 -4.084 1.00 0.00 O ATOM 356 CB PHE A 28 3.768 4.794 -1.467 1.00 0.00 C ATOM 357 CG PHE A 28 3.049 4.124 -2.611 1.00 0.00 C ATOM 358 CD1 PHE A 28 2.412 4.914 -3.584 1.00 0.00 C ATOM 359 CD2 PHE A 28 3.089 2.726 -2.755 1.00 0.00 C ATOM 360 CE1 PHE A 28 1.893 4.314 -4.735 1.00 0.00 C ATOM 361 CE2 PHE A 28 2.523 2.128 -3.893 1.00 0.00 C ATOM 362 CZ PHE A 28 1.943 2.921 -4.895 1.00 0.00 C ATOM 0 H PHE A 28 5.103 6.156 -0.011 1.00 0.00 H new ATOM 0 HA PHE A 28 5.779 4.228 -1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.757 4.133 -0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.230 5.699 -1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.324 5.981 -3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.553 2.115 -1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.451 4.927 -5.506 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.534 1.053 -3.997 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.537 2.462 -5.784 1.00 0.00 H new ATOM 372 N TYR A 29 4.773 7.141 -3.190 1.00 0.00 N ATOM 373 CA TYR A 29 4.789 7.966 -4.396 1.00 0.00 C ATOM 374 C TYR A 29 6.196 8.205 -4.916 1.00 0.00 C ATOM 375 O TYR A 29 6.412 8.242 -6.128 1.00 0.00 O ATOM 376 CB TYR A 29 4.172 9.335 -4.113 1.00 0.00 C ATOM 377 CG TYR A 29 2.699 9.438 -4.396 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.157 8.832 -5.543 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.903 10.248 -3.575 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.828 9.064 -5.894 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.575 10.526 -3.949 1.00 0.00 C ATOM 382 CZ TYR A 29 0.037 9.954 -5.128 1.00 0.00 C ATOM 383 OH TYR A 29 -1.225 10.268 -5.534 1.00 0.00 O ATOM 0 H TYR A 29 4.297 7.580 -2.402 1.00 0.00 H new ATOM 0 HA TYR A 29 4.216 7.419 -5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.344 9.585 -3.066 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.695 10.083 -4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.771 8.186 -6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.306 10.657 -2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.401 8.564 -6.751 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.034 11.175 -3.337 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.456 11.167 -5.218 1.00 0.00 H new ATOM 393 N LYS A 30 7.153 8.404 -4.012 1.00 0.00 N ATOM 394 CA LYS A 30 8.574 8.429 -4.344 1.00 0.00 C ATOM 395 C LYS A 30 8.915 7.270 -5.286 1.00 0.00 C ATOM 396 O LYS A 30 9.345 7.497 -6.417 1.00 0.00 O ATOM 397 CB LYS A 30 9.408 8.375 -3.050 1.00 0.00 C ATOM 398 CG LYS A 30 10.590 9.336 -3.122 1.00 0.00 C ATOM 399 CD LYS A 30 11.651 8.995 -2.070 1.00 0.00 C ATOM 400 CE LYS A 30 12.871 9.903 -2.259 1.00 0.00 C ATOM 401 NZ LYS A 30 13.810 9.829 -1.123 1.00 0.00 N ATOM 0 H LYS A 30 6.962 8.553 -3.021 1.00 0.00 H new ATOM 0 HA LYS A 30 8.814 9.357 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.779 8.629 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.769 7.360 -2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.035 9.295 -4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.241 10.357 -2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.240 9.124 -1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.945 7.949 -2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.391 9.622 -3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.538 10.933 -2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.618 10.460 -1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.324 10.122 -0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.151 8.852 -1.017 1.00 0.00 H new ATOM 415 N MET A 31 8.688 6.036 -4.841 1.00 0.00 N ATOM 416 CA MET A 31 8.958 4.845 -5.630 1.00 0.00 C ATOM 417 C MET A 31 8.059 4.800 -6.861 1.00 0.00 C ATOM 418 O MET A 31 8.519 4.336 -7.892 1.00 0.00 O ATOM 419 CB MET A 31 8.682 3.594 -4.805 1.00 0.00 C ATOM 420 CG MET A 31 9.427 3.507 -3.488 1.00 0.00 C ATOM 421 SD MET A 31 10.803 2.336 -3.388 1.00 0.00 S ATOM 422 CE MET A 31 10.168 1.364 -2.005 1.00 0.00 C ATOM 0 H MET A 31 8.309 5.837 -3.915 1.00 0.00 H new ATOM 0 HA MET A 31 10.004 4.879 -5.933 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.612 3.542 -4.602 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.936 2.720 -5.405 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.811 4.499 -3.252 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.708 3.250 -2.710 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.837 0.525 -1.813 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.109 1.992 -1.116 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.175 0.988 -2.250 1.00 0.00 H new ATOM 432 N LEU A 32 6.808 5.273 -6.795 1.00 0.00 N ATOM 433 CA LEU A 32 5.881 5.218 -7.924 1.00 0.00 C ATOM 434 C LEU A 32 6.479 5.872 -9.175 1.00 0.00 C ATOM 435 O LEU A 32 6.192 5.450 -10.296 1.00 0.00 O ATOM 436 CB LEU A 32 4.526 5.844 -7.536 1.00 0.00 C ATOM 437 CG LEU A 32 3.407 5.475 -8.518 1.00 0.00 C ATOM 438 CD1 LEU A 32 2.951 4.039 -8.290 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.193 6.384 -8.326 1.00 0.00 C ATOM 0 H LEU A 32 6.414 5.703 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 32 5.706 4.172 -8.174 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.250 5.514 -6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.628 6.929 -7.497 1.00 0.00 H new ATOM 0 HG LEU A 32 3.807 5.593 -9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.157 3.793 -8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.792 3.362 -8.440 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.578 3.933 -7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.413 6.103 -9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.816 6.278 -7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.483 7.420 -8.499 1.00 0.00 H new ATOM 451 N GLN A 33 7.341 6.870 -8.978 1.00 0.00 N ATOM 452 CA GLN A 33 8.187 7.412 -10.023 1.00 0.00 C ATOM 453 C GLN A 33 9.470 6.596 -10.143 1.00 0.00 C ATOM 454 O GLN A 33 9.715 5.997 -11.188 1.00 0.00 O ATOM 455 CB GLN A 33 8.476 8.898 -9.746 1.00 0.00 C ATOM 456 CG GLN A 33 7.186 9.727 -9.644 1.00 0.00 C ATOM 457 CD GLN A 33 6.234 9.566 -10.833 1.00 0.00 C ATOM 458 OE1 GLN A 33 6.633 9.316 -11.971 1.00 0.00 O ATOM 459 NE2 GLN A 33 4.943 9.708 -10.604 1.00 0.00 N ATOM 0 H GLN A 33 7.467 7.325 -8.074 1.00 0.00 H new ATOM 0 HA GLN A 33 7.669 7.346 -10.980 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.041 8.991 -8.818 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.103 9.300 -10.542 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.659 9.446 -8.732 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.452 10.780 -9.547 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.612 9.915 -9.662 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.276 9.611 -11.369 1.00 0.00 H new ATOM 468 N HIS A 34 10.310 6.616 -9.108 1.00 0.00 N ATOM 469 CA HIS A 34 11.704 6.217 -9.232 1.00 0.00 C ATOM 470 C HIS A 34 11.870 4.719 -9.519 1.00 0.00 C ATOM 471 O HIS A 34 12.775 4.350 -10.273 1.00 0.00 O ATOM 472 CB HIS A 34 12.463 6.610 -7.960 1.00 0.00 C ATOM 473 CG HIS A 34 12.647 8.100 -7.757 1.00 0.00 C ATOM 474 ND1 HIS A 34 13.378 8.969 -8.540 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.172 8.822 -6.697 1.00 0.00 C ATOM 476 CE1 HIS A 34 13.355 10.173 -7.943 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.635 10.139 -6.809 1.00 0.00 N ATOM 0 H HIS A 34 10.042 6.908 -8.168 1.00 0.00 H new ATOM 0 HA HIS A 34 12.122 6.743 -10.091 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.932 6.204 -7.099 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.445 6.138 -7.981 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.544 8.440 -5.905 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.851 11.053 -8.325 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.462 10.911 -6.165 1.00 0.00 H new ATOM 485 N GLU A 35 11.055 3.858 -8.907 1.00 0.00 N ATOM 486 CA GLU A 35 11.072 2.408 -9.066 1.00 0.00 C ATOM 487 C GLU A 35 9.705 1.792 -8.700 1.00 0.00 C ATOM 488 O GLU A 35 9.559 1.203 -7.626 1.00 0.00 O ATOM 489 CB GLU A 35 12.231 1.798 -8.252 1.00 0.00 C ATOM 490 CG GLU A 35 12.271 2.181 -6.757 1.00 0.00 C ATOM 491 CD GLU A 35 13.529 1.676 -6.064 1.00 0.00 C ATOM 492 OE1 GLU A 35 13.942 0.515 -6.278 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.109 2.411 -5.232 1.00 0.00 O ATOM 0 H GLU A 35 10.333 4.170 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 35 11.247 2.169 -10.115 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.173 0.712 -8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.172 2.100 -8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.216 3.265 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.394 1.772 -6.256 1.00 0.00 H new ATOM 500 N PRO A 36 8.681 1.860 -9.568 1.00 0.00 N ATOM 501 CA PRO A 36 7.365 1.306 -9.252 1.00 0.00 C ATOM 502 C PRO A 36 7.364 -0.223 -9.129 1.00 0.00 C ATOM 503 O PRO A 36 6.375 -0.807 -8.686 1.00 0.00 O ATOM 504 CB PRO A 36 6.409 1.814 -10.328 1.00 0.00 C ATOM 505 CG PRO A 36 7.328 2.181 -11.484 1.00 0.00 C ATOM 506 CD PRO A 36 8.643 2.586 -10.824 1.00 0.00 C ATOM 0 HA PRO A 36 7.045 1.641 -8.265 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.688 1.049 -10.617 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.838 2.675 -9.982 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.468 1.338 -12.161 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.914 2.998 -12.074 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.495 2.328 -11.453 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.684 3.662 -10.657 1.00 0.00 H new ATOM 514 N ASP A 37 8.476 -0.898 -9.424 1.00 0.00 N ATOM 515 CA ASP A 37 8.690 -2.302 -9.069 1.00 0.00 C ATOM 516 C ASP A 37 8.627 -2.503 -7.550 1.00 0.00 C ATOM 517 O ASP A 37 8.402 -3.624 -7.098 1.00 0.00 O ATOM 518 CB ASP A 37 10.045 -2.812 -9.581 1.00 0.00 C ATOM 519 CG ASP A 37 10.247 -2.722 -11.094 1.00 0.00 C ATOM 520 OD1 ASP A 37 9.278 -2.491 -11.857 1.00 0.00 O ATOM 521 OD2 ASP A 37 11.423 -2.777 -11.516 1.00 0.00 O ATOM 0 H ASP A 37 9.262 -0.481 -9.922 1.00 0.00 H new ATOM 0 HA ASP A 37 7.892 -2.871 -9.545 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.837 -2.245 -9.091 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.162 -3.852 -9.277 1.00 0.00 H new ATOM 526 N ARG A 38 8.796 -1.433 -6.756 1.00 0.00 N ATOM 527 CA ARG A 38 8.604 -1.420 -5.311 1.00 0.00 C ATOM 528 C ARG A 38 7.341 -0.658 -4.891 1.00 0.00 C ATOM 529 O ARG A 38 7.164 -0.409 -3.699 1.00 0.00 O ATOM 530 CB ARG A 38 9.856 -0.871 -4.597 1.00 0.00 C ATOM 531 CG ARG A 38 11.075 -1.789 -4.760 1.00 0.00 C ATOM 532 CD ARG A 38 12.103 -1.684 -3.625 1.00 0.00 C ATOM 533 NE ARG A 38 13.074 -0.599 -3.789 1.00 0.00 N ATOM 534 CZ ARG A 38 14.108 -0.361 -2.971 1.00 0.00 C ATOM 535 NH1 ARG A 38 14.314 -1.103 -1.885 1.00 0.00 N ATOM 536 NH2 ARG A 38 14.949 0.620 -3.270 1.00 0.00 N ATOM 0 H ARG A 38 9.080 -0.525 -7.123 1.00 0.00 H new ATOM 0 HA ARG A 38 8.457 -2.454 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.093 0.116 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.639 -0.745 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.731 -2.821 -4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.568 -1.554 -5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.573 -1.542 -2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.641 -2.629 -3.549 1.00 0.00 H new ATOM 0 HE ARG A 38 12.953 0.023 -4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.679 -1.869 -1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.107 -0.905 -1.275 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.803 1.179 -4.111 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.742 0.816 -2.659 1.00 0.00 H new ATOM 550 N ALA A 39 6.456 -0.264 -5.812 1.00 0.00 N ATOM 551 CA ALA A 39 5.254 0.509 -5.514 1.00 0.00 C ATOM 552 C ALA A 39 4.074 -0.115 -6.251 1.00 0.00 C ATOM 553 O ALA A 39 3.828 0.164 -7.425 1.00 0.00 O ATOM 554 CB ALA A 39 5.485 1.980 -5.878 1.00 0.00 C ATOM 0 H ALA A 39 6.560 -0.479 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 39 5.023 0.485 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.587 2.555 -5.655 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.320 2.372 -5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.713 2.060 -6.941 1.00 0.00 H new ATOM 560 N PHE A 40 3.379 -1.022 -5.570 1.00 0.00 N ATOM 561 CA PHE A 40 2.305 -1.811 -6.152 1.00 0.00 C ATOM 562 C PHE A 40 0.980 -1.115 -5.883 1.00 0.00 C ATOM 563 O PHE A 40 0.763 -0.660 -4.760 1.00 0.00 O ATOM 564 CB PHE A 40 2.315 -3.209 -5.524 1.00 0.00 C ATOM 565 CG PHE A 40 3.121 -4.226 -6.304 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.200 -3.842 -7.123 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.749 -5.577 -6.236 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.858 -4.802 -7.901 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.403 -6.551 -7.015 1.00 0.00 C ATOM 570 CZ PHE A 40 4.459 -6.149 -7.849 1.00 0.00 C ATOM 0 H PHE A 40 3.550 -1.230 -4.586 1.00 0.00 H new ATOM 0 HA PHE A 40 2.443 -1.907 -7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.717 -3.140 -4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.288 -3.564 -5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.519 -2.811 -7.151 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.948 -5.875 -5.576 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.675 -4.507 -8.543 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.099 -7.586 -6.972 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.970 -6.882 -8.456 1.00 0.00 H new ATOM 580 N TYR A 41 0.077 -1.057 -6.865 1.00 0.00 N ATOM 581 CA TYR A 41 -1.272 -0.548 -6.647 1.00 0.00 C ATOM 582 C TYR A 41 -2.334 -1.358 -7.377 1.00 0.00 C ATOM 583 O TYR A 41 -2.054 -2.054 -8.348 1.00 0.00 O ATOM 584 CB TYR A 41 -1.363 0.935 -7.005 1.00 0.00 C ATOM 585 CG TYR A 41 -1.578 1.225 -8.478 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.553 1.038 -9.423 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.848 1.649 -8.901 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.813 1.258 -10.789 1.00 0.00 C ATOM 589 CE2 TYR A 41 -3.102 1.925 -10.252 1.00 0.00 C ATOM 590 CZ TYR A 41 -2.086 1.714 -11.209 1.00 0.00 C ATOM 591 OH TYR A 41 -2.329 1.933 -12.531 1.00 0.00 O ATOM 0 H TYR A 41 0.261 -1.359 -7.822 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.479 -0.658 -5.582 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.181 1.381 -6.439 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.446 1.428 -6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.430 0.727 -9.102 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.640 1.764 -8.176 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.038 1.078 -11.520 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.069 2.297 -10.558 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.252 2.242 -12.647 1.00 0.00 H new ATOM 601 N GLY A 42 -3.578 -1.233 -6.928 1.00 0.00 N ATOM 602 CA GLY A 42 -4.680 -2.040 -7.403 1.00 0.00 C ATOM 603 C GLY A 42 -4.620 -3.427 -6.773 1.00 0.00 C ATOM 604 O GLY A 42 -3.547 -4.028 -6.687 1.00 0.00 O ATOM 0 H GLY A 42 -3.846 -0.556 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.627 -1.560 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.639 -2.123 -8.489 1.00 0.00 H new ATOM 608 N LEU A 43 -5.787 -3.954 -6.383 1.00 0.00 N ATOM 609 CA LEU A 43 -5.975 -5.202 -5.642 1.00 0.00 C ATOM 610 C LEU A 43 -5.018 -6.305 -6.119 1.00 0.00 C ATOM 611 O LEU A 43 -4.274 -6.884 -5.333 1.00 0.00 O ATOM 612 CB LEU A 43 -7.457 -5.620 -5.786 1.00 0.00 C ATOM 613 CG LEU A 43 -7.826 -7.032 -5.281 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.581 -7.200 -3.787 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.311 -7.307 -5.533 1.00 0.00 C ATOM 0 H LEU A 43 -6.673 -3.493 -6.589 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.736 -5.045 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.070 -4.895 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.730 -5.552 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.190 -7.729 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.857 -8.210 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.526 -7.031 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.184 -6.479 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.562 -8.305 -5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.913 -6.568 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.517 -7.244 -6.602 1.00 0.00 H new ATOM 627 N LYS A 44 -5.009 -6.551 -7.429 1.00 0.00 N ATOM 628 CA LYS A 44 -4.275 -7.601 -8.107 1.00 0.00 C ATOM 629 C LYS A 44 -2.770 -7.478 -7.878 1.00 0.00 C ATOM 630 O LYS A 44 -2.112 -8.494 -7.667 1.00 0.00 O ATOM 631 CB LYS A 44 -4.687 -7.527 -9.592 1.00 0.00 C ATOM 632 CG LYS A 44 -3.631 -8.047 -10.563 1.00 0.00 C ATOM 633 CD LYS A 44 -4.066 -7.963 -12.027 1.00 0.00 C ATOM 634 CE LYS A 44 -4.072 -6.496 -12.469 1.00 0.00 C ATOM 635 NZ LYS A 44 -4.387 -6.343 -13.898 1.00 0.00 N ATOM 0 H LYS A 44 -5.551 -5.982 -8.079 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.520 -8.586 -7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.605 -8.098 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.915 -6.491 -9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.712 -7.476 -10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.400 -9.084 -10.318 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.387 -8.541 -12.654 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.059 -8.396 -12.149 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.802 -5.944 -11.877 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.097 -6.054 -12.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.379 -5.334 -14.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.676 -6.847 -14.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.329 -6.740 -14.090 1.00 0.00 H new ATOM 649 N GLN A 45 -2.189 -6.280 -7.976 1.00 0.00 N ATOM 650 CA GLN A 45 -0.749 -6.148 -7.798 1.00 0.00 C ATOM 651 C GLN A 45 -0.421 -6.533 -6.362 1.00 0.00 C ATOM 652 O GLN A 45 0.355 -7.448 -6.120 1.00 0.00 O ATOM 653 CB GLN A 45 -0.260 -4.732 -8.102 1.00 0.00 C ATOM 654 CG GLN A 45 -0.444 -4.303 -9.566 1.00 0.00 C ATOM 655 CD GLN A 45 0.239 -2.955 -9.822 1.00 0.00 C ATOM 656 OE1 GLN A 45 1.203 -2.597 -9.154 1.00 0.00 O ATOM 657 NE2 GLN A 45 -0.172 -2.178 -10.805 1.00 0.00 N ATOM 0 H GLN A 45 -2.683 -5.409 -8.173 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.238 -6.806 -8.500 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.792 -4.030 -7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.797 -4.661 -7.844 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.025 -5.061 -10.228 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.506 -4.229 -9.798 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.972 -2.455 -11.374 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.310 -1.300 -10.996 1.00 0.00 H new ATOM 666 N VAL A 46 -1.033 -5.851 -5.403 1.00 0.00 N ATOM 667 CA VAL A 46 -0.881 -6.087 -3.980 1.00 0.00 C ATOM 668 C VAL A 46 -0.981 -7.584 -3.638 1.00 0.00 C ATOM 669 O VAL A 46 -0.161 -8.067 -2.859 1.00 0.00 O ATOM 670 CB VAL A 46 -1.909 -5.233 -3.215 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.626 -5.343 -1.721 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.877 -3.746 -3.618 1.00 0.00 C ATOM 0 H VAL A 46 -1.676 -5.086 -5.608 1.00 0.00 H new ATOM 0 HA VAL A 46 0.118 -5.782 -3.667 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.898 -5.616 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.348 -4.742 -1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.708 -6.385 -1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.619 -4.981 -1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.624 -3.197 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.888 -3.335 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.096 -3.653 -4.682 1.00 0.00 H new ATOM 682 N GLU A 47 -1.922 -8.328 -4.227 1.00 0.00 N ATOM 683 CA GLU A 47 -2.036 -9.774 -4.030 1.00 0.00 C ATOM 684 C GLU A 47 -0.708 -10.486 -4.326 1.00 0.00 C ATOM 685 O GLU A 47 -0.273 -11.319 -3.534 1.00 0.00 O ATOM 686 CB GLU A 47 -3.196 -10.331 -4.880 1.00 0.00 C ATOM 687 CG GLU A 47 -4.563 -10.007 -4.250 1.00 0.00 C ATOM 688 CD GLU A 47 -5.769 -10.345 -5.136 1.00 0.00 C ATOM 689 OE1 GLU A 47 -5.644 -10.426 -6.380 1.00 0.00 O ATOM 690 OE2 GLU A 47 -6.876 -10.522 -4.576 1.00 0.00 O ATOM 0 H GLU A 47 -2.627 -7.942 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.263 -9.968 -2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.148 -9.910 -5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.088 -11.411 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.654 -10.552 -3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.594 -8.945 -4.006 1.00 0.00 H new ATOM 697 N LYS A 48 -0.023 -10.118 -5.412 1.00 0.00 N ATOM 698 CA LYS A 48 1.240 -10.717 -5.838 1.00 0.00 C ATOM 699 C LYS A 48 2.355 -10.339 -4.874 1.00 0.00 C ATOM 700 O LYS A 48 3.222 -11.160 -4.567 1.00 0.00 O ATOM 701 CB LYS A 48 1.547 -10.241 -7.273 1.00 0.00 C ATOM 702 CG LYS A 48 3.000 -10.423 -7.729 1.00 0.00 C ATOM 703 CD LYS A 48 3.264 -11.877 -8.094 1.00 0.00 C ATOM 704 CE LYS A 48 4.737 -12.285 -8.065 1.00 0.00 C ATOM 705 NZ LYS A 48 5.461 -12.114 -9.337 1.00 0.00 N ATOM 0 H LYS A 48 -0.342 -9.375 -6.034 1.00 0.00 H new ATOM 0 HA LYS A 48 1.164 -11.804 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.897 -10.779 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.289 -9.185 -7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.201 -9.784 -8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.679 -10.112 -6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.710 -12.516 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.869 -12.064 -9.092 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.244 -11.702 -7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.802 -13.331 -7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.869 -13.025 -9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.803 -11.779 -10.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.223 -11.417 -9.212 1.00 0.00 H new ATOM 719 N ALA A 49 2.384 -9.078 -4.451 1.00 0.00 N ATOM 720 CA ALA A 49 3.376 -8.620 -3.498 1.00 0.00 C ATOM 721 C ALA A 49 3.241 -9.372 -2.183 1.00 0.00 C ATOM 722 O ALA A 49 4.249 -9.739 -1.582 1.00 0.00 O ATOM 723 CB ALA A 49 3.204 -7.131 -3.249 1.00 0.00 C ATOM 0 H ALA A 49 1.729 -8.359 -4.757 1.00 0.00 H new ATOM 0 HA ALA A 49 4.366 -8.809 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.952 -6.793 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.328 -6.589 -4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.208 -6.942 -2.850 1.00 0.00 H new ATOM 729 N ASN A 50 2.006 -9.599 -1.740 1.00 0.00 N ATOM 730 CA ASN A 50 1.763 -10.304 -0.499 1.00 0.00 C ATOM 731 C ASN A 50 2.217 -11.758 -0.602 1.00 0.00 C ATOM 732 O ASN A 50 2.785 -12.279 0.344 1.00 0.00 O ATOM 733 CB ASN A 50 0.292 -10.203 -0.103 1.00 0.00 C ATOM 734 CG ASN A 50 0.113 -10.797 1.284 1.00 0.00 C ATOM 735 OD1 ASN A 50 0.448 -10.153 2.269 1.00 0.00 O ATOM 736 ND2 ASN A 50 -0.384 -12.013 1.390 1.00 0.00 N ATOM 0 H ASN A 50 1.162 -9.301 -2.228 1.00 0.00 H new ATOM 0 HA ASN A 50 2.352 -9.832 0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.030 -9.162 -0.111 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.330 -10.734 -0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.497 -12.439 2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.655 -12.528 0.552 1.00 0.00 H new ATOM 743 N GLU A 51 2.052 -12.413 -1.754 1.00 0.00 N ATOM 744 CA GLU A 51 2.609 -13.753 -1.983 1.00 0.00 C ATOM 745 C GLU A 51 4.135 -13.769 -1.810 1.00 0.00 C ATOM 746 O GLU A 51 4.704 -14.715 -1.273 1.00 0.00 O ATOM 747 CB GLU A 51 2.282 -14.196 -3.411 1.00 0.00 C ATOM 748 CG GLU A 51 0.809 -14.507 -3.624 1.00 0.00 C ATOM 749 CD GLU A 51 0.500 -14.872 -5.082 1.00 0.00 C ATOM 750 OE1 GLU A 51 1.104 -14.303 -6.025 1.00 0.00 O ATOM 751 OE2 GLU A 51 -0.312 -15.800 -5.292 1.00 0.00 O ATOM 0 H GLU A 51 1.534 -12.036 -2.548 1.00 0.00 H new ATOM 0 HA GLU A 51 2.167 -14.428 -1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.584 -13.412 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.871 -15.080 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.516 -15.332 -2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.211 -13.644 -3.333 1.00 0.00 H new ATOM 758 N ALA A 52 4.791 -12.703 -2.265 1.00 0.00 N ATOM 759 CA ALA A 52 6.240 -12.504 -2.187 1.00 0.00 C ATOM 760 C ALA A 52 6.677 -12.106 -0.774 1.00 0.00 C ATOM 761 O ALA A 52 7.868 -11.928 -0.548 1.00 0.00 O ATOM 762 CB ALA A 52 6.705 -11.429 -3.190 1.00 0.00 C ATOM 0 H ALA A 52 4.311 -11.924 -2.715 1.00 0.00 H new ATOM 0 HA ALA A 52 6.707 -13.456 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.785 -11.301 -3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.449 -11.741 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.210 -10.484 -2.966 1.00 0.00 H new ATOM 768 N MET A 53 5.737 -11.920 0.158 1.00 0.00 N ATOM 769 CA MET A 53 5.927 -11.386 1.505 1.00 0.00 C ATOM 770 C MET A 53 6.424 -9.934 1.512 1.00 0.00 C ATOM 771 O MET A 53 6.755 -9.404 2.570 1.00 0.00 O ATOM 772 CB MET A 53 6.883 -12.260 2.346 1.00 0.00 C ATOM 773 CG MET A 53 6.710 -13.777 2.235 1.00 0.00 C ATOM 774 SD MET A 53 5.431 -14.507 3.280 1.00 0.00 S ATOM 775 CE MET A 53 4.230 -14.939 1.999 1.00 0.00 C ATOM 0 H MET A 53 4.761 -12.154 -0.023 1.00 0.00 H new ATOM 0 HA MET A 53 4.936 -11.404 1.959 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.906 -12.013 2.063 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.766 -11.981 3.393 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.486 -14.022 1.197 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.662 -14.250 2.476 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.235 -14.999 2.439 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.237 -14.175 1.221 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.493 -15.903 1.564 1.00 0.00 H new ATOM 785 N ALA A 54 6.545 -9.286 0.351 1.00 0.00 N ATOM 786 CA ALA A 54 7.405 -8.125 0.151 1.00 0.00 C ATOM 787 C ALA A 54 6.858 -6.839 0.747 1.00 0.00 C ATOM 788 O ALA A 54 7.533 -5.819 0.646 1.00 0.00 O ATOM 789 CB ALA A 54 7.581 -7.909 -1.359 1.00 0.00 C ATOM 0 H ALA A 54 6.037 -9.561 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 54 8.344 -8.340 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.222 -7.044 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.039 -8.793 -1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.607 -7.736 -1.818 1.00 0.00 H new ATOM 795 N ILE A 55 5.636 -6.834 1.268 1.00 0.00 N ATOM 796 CA ILE A 55 4.949 -5.612 1.637 1.00 0.00 C ATOM 797 C ILE A 55 5.576 -5.075 2.921 1.00 0.00 C ATOM 798 O ILE A 55 5.428 -5.658 3.991 1.00 0.00 O ATOM 799 CB ILE A 55 3.429 -5.864 1.671 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.985 -6.061 0.208 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.666 -4.728 2.368 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.508 -6.358 -0.013 1.00 0.00 C ATOM 0 H ILE A 55 5.097 -7.682 1.445 1.00 0.00 H new ATOM 0 HA ILE A 55 5.072 -4.819 0.900 1.00 0.00 H new ATOM 0 HB ILE A 55 3.199 -6.750 2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.241 -5.161 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.566 -6.878 -0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.599 -4.952 2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.015 -4.632 3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.841 -3.793 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.316 -6.477 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.240 -7.277 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.909 -5.533 0.374 1.00 0.00 H new ATOM 814 N ASP A 56 6.284 -3.955 2.786 1.00 0.00 N ATOM 815 CA ASP A 56 6.817 -3.187 3.912 1.00 0.00 C ATOM 816 C ASP A 56 5.647 -2.561 4.657 1.00 0.00 C ATOM 817 O ASP A 56 5.481 -2.729 5.867 1.00 0.00 O ATOM 818 CB ASP A 56 7.744 -2.056 3.439 1.00 0.00 C ATOM 819 CG ASP A 56 8.196 -1.214 4.638 1.00 0.00 C ATOM 820 OD1 ASP A 56 9.230 -1.559 5.250 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.508 -0.216 4.973 1.00 0.00 O ATOM 0 H ASP A 56 6.507 -3.549 1.878 1.00 0.00 H new ATOM 0 HA ASP A 56 7.391 -3.861 4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.612 -2.475 2.930 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.224 -1.426 2.717 1.00 0.00 H new ATOM 826 N THR A 57 4.831 -1.832 3.900 1.00 0.00 N ATOM 827 CA THR A 57 3.697 -1.082 4.376 1.00 0.00 C ATOM 828 C THR A 57 2.631 -1.119 3.291 1.00 0.00 C ATOM 829 O THR A 57 2.918 -0.932 2.113 1.00 0.00 O ATOM 830 CB THR A 57 4.156 0.346 4.709 1.00 0.00 C ATOM 831 OG1 THR A 57 5.018 0.335 5.832 1.00 0.00 O ATOM 832 CG2 THR A 57 3.000 1.255 5.110 1.00 0.00 C ATOM 0 H THR A 57 4.958 -1.752 2.891 1.00 0.00 H new ATOM 0 HA THR A 57 3.273 -1.505 5.286 1.00 0.00 H new ATOM 0 HB THR A 57 4.639 0.713 3.804 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.932 0.134 5.541 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.381 2.251 5.334 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.284 1.317 4.290 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.507 0.848 5.993 1.00 0.00 H new ATOM 840 N LEU A 58 1.390 -1.340 3.699 1.00 0.00 N ATOM 841 CA LEU A 58 0.211 -1.436 2.860 1.00 0.00 C ATOM 842 C LEU A 58 -0.644 -0.200 3.120 1.00 0.00 C ATOM 843 O LEU A 58 -0.681 0.280 4.251 1.00 0.00 O ATOM 844 CB LEU A 58 -0.493 -2.713 3.312 1.00 0.00 C ATOM 845 CG LEU A 58 -1.832 -3.029 2.652 1.00 0.00 C ATOM 846 CD1 LEU A 58 -1.584 -3.711 1.309 1.00 0.00 C ATOM 847 CD2 LEU A 58 -2.644 -3.937 3.574 1.00 0.00 C ATOM 0 H LEU A 58 1.169 -1.464 4.687 1.00 0.00 H new ATOM 0 HA LEU A 58 0.424 -1.477 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.179 -3.553 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.651 -2.651 4.389 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.392 -2.110 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.539 -3.938 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.008 -3.047 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.028 -4.635 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.602 -4.166 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.095 -4.862 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.815 -3.431 4.524 1.00 0.00 H new ATOM 859 N LEU A 59 -1.280 0.352 2.082 1.00 0.00 N ATOM 860 CA LEU A 59 -2.127 1.535 2.153 1.00 0.00 C ATOM 861 C LEU A 59 -3.455 1.181 1.498 1.00 0.00 C ATOM 862 O LEU A 59 -3.458 0.827 0.322 1.00 0.00 O ATOM 863 CB LEU A 59 -1.500 2.783 1.479 1.00 0.00 C ATOM 864 CG LEU A 59 -0.078 2.703 0.905 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.243 3.982 0.121 1.00 0.00 C ATOM 866 CD2 LEU A 59 1.006 2.560 1.976 1.00 0.00 C ATOM 0 H LEU A 59 -1.213 -0.030 1.139 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.257 1.810 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.163 3.082 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.510 3.589 2.212 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.068 1.814 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.253 3.917 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.468 4.095 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.172 4.843 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.985 2.509 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.972 3.420 2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.834 1.648 2.548 1.00 0.00 H new ATOM 878 N ILE A 60 -4.583 1.242 2.200 1.00 0.00 N ATOM 879 CA ILE A 60 -5.893 1.013 1.589 1.00 0.00 C ATOM 880 C ILE A 60 -6.873 2.023 2.179 1.00 0.00 C ATOM 881 O ILE A 60 -6.742 2.404 3.350 1.00 0.00 O ATOM 882 CB ILE A 60 -6.328 -0.452 1.813 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.468 -0.801 0.842 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.741 -0.713 3.272 1.00 0.00 C ATOM 885 CD1 ILE A 60 -7.714 -2.298 0.633 1.00 0.00 C ATOM 0 H ILE A 60 -4.618 1.449 3.198 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.860 1.161 0.510 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.474 -1.099 1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.388 -0.346 1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.252 -0.347 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.039 -1.755 3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.899 -0.503 3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.578 -0.066 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.537 -2.437 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.813 -2.762 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.967 -2.762 1.586 1.00 0.00 H new ATOM 897 N SER A 61 -7.874 2.417 1.397 1.00 0.00 N ATOM 898 CA SER A 61 -8.959 3.228 1.909 1.00 0.00 C ATOM 899 C SER A 61 -9.766 2.415 2.916 1.00 0.00 C ATOM 900 O SER A 61 -10.001 1.212 2.729 1.00 0.00 O ATOM 901 CB SER A 61 -9.832 3.753 0.771 1.00 0.00 C ATOM 902 OG SER A 61 -10.527 4.891 1.248 1.00 0.00 O ATOM 0 H SER A 61 -7.951 2.184 0.407 1.00 0.00 H new ATOM 0 HA SER A 61 -8.550 4.100 2.419 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.219 4.014 -0.092 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.534 2.986 0.443 1.00 0.00 H new ATOM 0 HG SER A 61 -11.012 5.312 0.508 1.00 0.00 H new ATOM 908 N ASP A 62 -10.248 3.093 3.958 1.00 0.00 N ATOM 909 CA ASP A 62 -11.266 2.534 4.827 1.00 0.00 C ATOM 910 C ASP A 62 -12.516 2.232 4.011 1.00 0.00 C ATOM 911 O ASP A 62 -13.101 1.182 4.223 1.00 0.00 O ATOM 912 CB ASP A 62 -11.571 3.415 6.045 1.00 0.00 C ATOM 913 CG ASP A 62 -12.267 4.754 5.786 1.00 0.00 C ATOM 914 OD1 ASP A 62 -11.898 5.474 4.827 1.00 0.00 O ATOM 915 OD2 ASP A 62 -13.136 5.083 6.627 1.00 0.00 O ATOM 0 H ASP A 62 -9.944 4.032 4.215 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.878 1.604 5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.192 2.839 6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.631 3.617 6.559 1.00 0.00 H new ATOM 920 N GLU A 63 -12.891 3.037 3.013 1.00 0.00 N ATOM 921 CA GLU A 63 -14.098 2.765 2.221 1.00 0.00 C ATOM 922 C GLU A 63 -14.107 1.375 1.570 1.00 0.00 C ATOM 923 O GLU A 63 -15.176 0.778 1.425 1.00 0.00 O ATOM 924 CB GLU A 63 -14.301 3.860 1.158 1.00 0.00 C ATOM 925 CG GLU A 63 -13.368 3.748 -0.041 1.00 0.00 C ATOM 926 CD GLU A 63 -13.207 5.050 -0.803 1.00 0.00 C ATOM 927 OE1 GLU A 63 -14.005 5.332 -1.731 1.00 0.00 O ATOM 928 OE2 GLU A 63 -12.223 5.761 -0.513 1.00 0.00 O ATOM 0 H GLU A 63 -12.382 3.876 2.734 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.932 2.776 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.332 3.822 0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.159 4.835 1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.389 3.412 0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.749 2.984 -0.718 1.00 0.00 H new ATOM 935 N LEU A 64 -12.925 0.862 1.213 1.00 0.00 N ATOM 936 CA LEU A 64 -12.728 -0.463 0.638 1.00 0.00 C ATOM 937 C LEU A 64 -12.705 -1.505 1.758 1.00 0.00 C ATOM 938 O LEU A 64 -13.344 -2.553 1.666 1.00 0.00 O ATOM 939 CB LEU A 64 -11.419 -0.488 -0.168 1.00 0.00 C ATOM 940 CG LEU A 64 -11.355 0.502 -1.349 1.00 0.00 C ATOM 941 CD1 LEU A 64 -10.063 0.263 -2.132 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.560 0.416 -2.294 1.00 0.00 C ATOM 0 H LEU A 64 -12.053 1.379 1.322 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.549 -0.701 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.591 -0.276 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.267 -1.497 -0.552 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.376 1.505 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.011 0.959 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.206 0.418 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.050 -0.759 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.444 1.142 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.621 -0.587 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.473 0.632 -1.740 1.00 0.00 H new ATOM 954 N PHE A 65 -12.027 -1.182 2.859 1.00 0.00 N ATOM 955 CA PHE A 65 -12.017 -1.954 4.101 1.00 0.00 C ATOM 956 C PHE A 65 -13.412 -2.269 4.650 1.00 0.00 C ATOM 957 O PHE A 65 -13.583 -3.259 5.362 1.00 0.00 O ATOM 958 CB PHE A 65 -11.212 -1.162 5.142 1.00 0.00 C ATOM 959 CG PHE A 65 -10.699 -1.943 6.323 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.877 -3.073 6.138 1.00 0.00 C ATOM 961 CD2 PHE A 65 -11.017 -1.494 7.618 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.401 -3.775 7.255 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.518 -2.190 8.734 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.708 -3.326 8.548 1.00 0.00 C ATOM 0 H PHE A 65 -11.448 -0.344 2.912 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.563 -2.921 3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.361 -0.703 4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.838 -0.351 5.514 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.615 -3.397 5.141 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.639 -0.622 7.754 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.798 -4.661 7.120 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.756 -1.853 9.732 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.320 -3.855 9.406 1.00 0.00 H new ATOM 974 N ARG A 66 -14.421 -1.460 4.319 1.00 0.00 N ATOM 975 CA ARG A 66 -15.810 -1.604 4.759 1.00 0.00 C ATOM 976 C ARG A 66 -16.763 -1.616 3.559 1.00 0.00 C ATOM 977 O ARG A 66 -17.921 -1.218 3.686 1.00 0.00 O ATOM 978 CB ARG A 66 -16.168 -0.577 5.853 1.00 0.00 C ATOM 979 CG ARG A 66 -15.135 0.500 6.176 1.00 0.00 C ATOM 980 CD ARG A 66 -15.509 1.302 7.403 1.00 0.00 C ATOM 981 NE ARG A 66 -15.217 0.566 8.637 1.00 0.00 N ATOM 982 CZ ARG A 66 -14.753 1.118 9.756 1.00 0.00 C ATOM 983 NH1 ARG A 66 -14.683 2.441 9.893 1.00 0.00 N ATOM 984 NH2 ARG A 66 -14.348 0.312 10.725 1.00 0.00 N ATOM 0 H ARG A 66 -14.286 -0.652 3.711 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.932 -2.575 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.091 -0.079 5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.381 -1.124 6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.163 0.033 6.332 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -15.033 1.171 5.323 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.962 2.245 7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.570 1.549 7.368 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.381 -0.441 8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.988 3.049 9.133 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.325 2.846 10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.397 -0.699 10.601 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.987 0.702 11.595 1.00 0.00 H new ATOM 998 N HIS A 67 -16.267 -2.052 2.398 1.00 0.00 N ATOM 999 CA HIS A 67 -16.996 -1.985 1.142 1.00 0.00 C ATOM 1000 C HIS A 67 -18.377 -2.640 1.255 1.00 0.00 C ATOM 1001 O HIS A 67 -18.561 -3.651 1.936 1.00 0.00 O ATOM 1002 CB HIS A 67 -16.160 -2.599 0.015 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.726 -2.327 -1.346 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.818 -2.979 -1.905 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -16.267 -1.388 -2.216 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -18.016 -2.410 -3.100 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -17.110 -1.438 -3.301 1.00 0.00 N ATOM 0 H HIS A 67 -15.338 -2.464 2.309 1.00 0.00 H new ATOM 0 HA HIS A 67 -17.171 -0.937 0.900 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -15.145 -2.205 0.066 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -16.092 -3.676 0.166 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.416 -0.737 -2.082 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.790 -2.691 -3.799 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -17.057 -0.836 -4.123 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.336 -2.025 0.570 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.745 -2.372 0.521 1.00 0.00 C ATOM 1017 C GLN A 68 -20.998 -3.799 0.012 1.00 0.00 C ATOM 1018 O GLN A 68 -21.896 -4.469 0.521 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.472 -1.310 -0.332 1.00 0.00 C ATOM 1020 CG GLN A 68 -20.847 -1.099 -1.727 1.00 0.00 C ATOM 1021 CD GLN A 68 -21.499 0.032 -2.504 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -20.992 1.152 -2.524 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -22.608 -0.223 -3.173 1.00 0.00 N ATOM 0 H GLN A 68 -19.129 -1.210 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 68 -21.145 -2.369 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.515 -1.605 -0.452 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.469 -0.361 0.205 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.783 -0.889 -1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.931 -2.022 -2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -23.016 -1.157 -3.146 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -23.057 0.514 -3.717 1.00 0.00 H new ATOM 1032 N ASP A 69 -20.268 -4.282 -0.998 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.362 -5.674 -1.419 1.00 0.00 C ATOM 1034 C ASP A 69 -19.410 -6.466 -0.545 1.00 0.00 C ATOM 1035 O ASP A 69 -18.189 -6.304 -0.638 1.00 0.00 O ATOM 1036 CB ASP A 69 -20.041 -5.914 -2.903 1.00 0.00 C ATOM 1037 CG ASP A 69 -20.361 -7.365 -3.336 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -20.595 -8.269 -2.487 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -20.465 -7.601 -4.558 1.00 0.00 O ATOM 0 H ASP A 69 -19.606 -3.724 -1.537 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.398 -5.992 -1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.614 -5.218 -3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.987 -5.705 -3.085 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.972 -7.356 0.268 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.264 -8.349 1.060 1.00 0.00 C ATOM 1046 C VAL A 70 -18.096 -8.956 0.283 1.00 0.00 C ATOM 1047 O VAL A 70 -17.041 -9.124 0.881 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.290 -9.398 1.541 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.699 -10.744 1.991 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.082 -8.808 2.709 1.00 0.00 C ATOM 0 H VAL A 70 -20.983 -7.404 0.396 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.807 -7.885 1.934 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.910 -9.619 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.504 -11.407 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -19.160 -11.200 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -19.014 -10.581 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.811 -9.538 3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.400 -8.557 3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.600 -7.907 2.379 1.00 0.00 H new ATOM 1060 N ALA A 71 -18.244 -9.258 -1.007 1.00 0.00 N ATOM 1061 CA ALA A 71 -17.219 -9.907 -1.822 1.00 0.00 C ATOM 1062 C ALA A 71 -16.063 -8.988 -2.218 1.00 0.00 C ATOM 1063 O ALA A 71 -14.930 -9.447 -2.350 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.845 -10.425 -3.112 1.00 0.00 C ATOM 0 H ALA A 71 -19.099 -9.053 -1.525 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.815 -10.707 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -17.080 -10.909 -3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.628 -11.145 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.276 -9.592 -3.667 1.00 0.00 H new ATOM 1070 N THR A 72 -16.326 -7.711 -2.466 1.00 0.00 N ATOM 1071 CA THR A 72 -15.274 -6.743 -2.757 1.00 0.00 C ATOM 1072 C THR A 72 -14.574 -6.446 -1.434 1.00 0.00 C ATOM 1073 O THR A 72 -13.347 -6.520 -1.374 1.00 0.00 O ATOM 1074 CB THR A 72 -15.904 -5.497 -3.408 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.460 -5.796 -4.679 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.917 -4.343 -3.565 1.00 0.00 C ATOM 0 H THR A 72 -17.267 -7.318 -2.471 1.00 0.00 H new ATOM 0 HA THR A 72 -14.535 -7.117 -3.466 1.00 0.00 H new ATOM 0 HB THR A 72 -16.693 -5.184 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.853 -4.985 -5.063 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.420 -3.495 -4.029 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.541 -4.050 -2.585 1.00 0.00 H new ATOM 0 HG23 THR A 72 -14.084 -4.659 -4.193 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.335 -6.212 -0.358 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.779 -6.057 0.970 1.00 0.00 C ATOM 1086 C ARG A 73 -13.884 -7.241 1.304 1.00 0.00 C ATOM 1087 O ARG A 73 -12.765 -7.026 1.751 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.912 -5.903 1.998 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.316 -5.444 3.326 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.338 -5.417 4.455 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.684 -5.057 5.721 1.00 0.00 N ATOM 1092 CZ ARG A 73 -16.163 -5.238 6.953 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -17.223 -6.008 7.166 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -15.552 -4.688 7.995 1.00 0.00 N ATOM 0 H ARG A 73 -16.351 -6.127 -0.395 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.167 -5.155 1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.646 -5.179 1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.435 -6.850 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.497 -6.108 3.600 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.891 -4.448 3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.125 -4.698 4.226 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.815 -6.393 4.548 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.764 -4.622 5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.683 -6.471 6.382 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.578 -6.137 8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.713 -4.125 7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.921 -4.829 8.935 1.00 0.00 H new ATOM 1108 N SER A 74 -14.385 -8.466 1.125 1.00 0.00 N ATOM 1109 CA SER A 74 -13.752 -9.673 1.631 1.00 0.00 C ATOM 1110 C SER A 74 -12.300 -9.739 1.175 1.00 0.00 C ATOM 1111 O SER A 74 -11.407 -9.939 1.987 1.00 0.00 O ATOM 1112 CB SER A 74 -14.543 -10.932 1.233 1.00 0.00 C ATOM 1113 OG SER A 74 -14.482 -11.228 -0.142 1.00 0.00 O ATOM 0 H SER A 74 -15.252 -8.643 0.618 1.00 0.00 H new ATOM 0 HA SER A 74 -13.757 -9.636 2.720 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.161 -11.783 1.796 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.586 -10.801 1.521 1.00 0.00 H new ATOM 0 HG SER A 74 -14.572 -10.400 -0.659 1.00 0.00 H new ATOM 1119 N ARG A 75 -12.076 -9.474 -0.111 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.785 -9.489 -0.787 1.00 0.00 C ATOM 1121 C ARG A 75 -9.808 -8.603 -0.050 1.00 0.00 C ATOM 1122 O ARG A 75 -8.736 -9.059 0.343 1.00 0.00 O ATOM 1123 CB ARG A 75 -11.000 -9.004 -2.231 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.545 -10.128 -3.111 1.00 0.00 C ATOM 1125 CD ARG A 75 -12.243 -9.552 -4.343 1.00 0.00 C ATOM 1126 NE ARG A 75 -12.263 -10.533 -5.435 1.00 0.00 N ATOM 1127 CZ ARG A 75 -12.445 -10.330 -6.741 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -12.669 -9.113 -7.234 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -12.405 -11.383 -7.548 1.00 0.00 N ATOM 0 H ARG A 75 -12.837 -9.229 -0.744 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.367 -10.495 -0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.694 -8.164 -2.237 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.057 -8.641 -2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.731 -10.783 -3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.246 -10.738 -2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.263 -9.264 -4.088 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.729 -8.648 -4.669 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.118 -11.504 -5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.705 -8.308 -6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.805 -8.986 -8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.239 -12.313 -7.164 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.540 -11.262 -8.552 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.179 -7.340 0.141 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.369 -6.404 0.881 1.00 0.00 C ATOM 1145 C TYR A 76 -9.139 -6.900 2.301 1.00 0.00 C ATOM 1146 O TYR A 76 -7.988 -7.084 2.664 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.050 -5.036 0.868 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.275 -4.476 -0.527 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.207 -4.362 -1.438 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.560 -4.070 -0.918 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.409 -3.836 -2.726 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.768 -3.541 -2.203 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.706 -3.440 -3.125 1.00 0.00 C ATOM 1154 OH TYR A 76 -10.955 -2.950 -4.372 1.00 0.00 O ATOM 0 H TYR A 76 -11.050 -6.947 -0.216 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.390 -6.313 0.410 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.010 -5.114 1.377 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.443 -4.333 1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.219 -4.683 -1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.389 -4.164 -0.232 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.577 -3.735 -3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.755 -3.207 -2.488 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.907 -2.735 -4.455 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.168 -7.129 3.121 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.964 -7.455 4.540 1.00 0.00 C ATOM 1166 C VAL A 77 -9.109 -8.712 4.714 1.00 0.00 C ATOM 1167 O VAL A 77 -8.284 -8.777 5.625 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.291 -7.566 5.317 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -12.155 -6.336 5.061 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -12.153 -8.771 4.937 1.00 0.00 C ATOM 0 H VAL A 77 -11.146 -7.096 2.832 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.415 -6.619 4.973 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.986 -7.669 6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.089 -6.426 5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.623 -5.443 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.371 -6.258 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.065 -8.768 5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.410 -8.715 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.598 -9.690 5.127 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.275 -9.696 3.829 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.499 -10.923 3.788 1.00 0.00 C ATOM 1182 C ARG A 78 -7.045 -10.587 3.527 1.00 0.00 C ATOM 1183 O ARG A 78 -6.170 -10.912 4.328 1.00 0.00 O ATOM 1184 CB ARG A 78 -9.074 -11.822 2.679 1.00 0.00 C ATOM 1185 CG ARG A 78 -10.318 -12.590 3.156 1.00 0.00 C ATOM 1186 CD ARG A 78 -10.101 -14.105 3.193 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.498 -14.695 4.485 1.00 0.00 N ATOM 1188 CZ ARG A 78 -9.735 -14.768 5.584 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -8.499 -14.280 5.583 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -10.215 -15.328 6.688 1.00 0.00 N ATOM 0 H ARG A 78 -9.982 -9.652 3.096 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.556 -11.453 4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.333 -11.212 1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.312 -12.530 2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.594 -12.243 4.151 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.155 -12.363 2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.674 -14.572 2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.050 -14.324 3.003 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.439 -15.083 4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.123 -13.845 4.740 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.926 -14.340 6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.164 -15.702 6.699 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.635 -15.384 7.525 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.793 -9.901 2.418 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.458 -9.541 1.993 1.00 0.00 C ATOM 1206 C LEU A 79 -4.767 -8.625 3.004 1.00 0.00 C ATOM 1207 O LEU A 79 -3.559 -8.716 3.197 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.570 -8.905 0.601 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.185 -8.752 -0.040 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.515 -10.085 -0.382 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.307 -7.848 -1.256 1.00 0.00 C ATOM 0 H LEU A 79 -7.524 -9.578 1.785 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.827 -10.428 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.204 -9.522 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.049 -7.929 0.679 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.522 -8.295 0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.540 -9.897 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.388 -10.672 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.139 -10.636 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.329 -7.731 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.999 -8.292 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.681 -6.872 -0.948 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.503 -7.715 3.631 1.00 0.00 N ATOM 1224 CA VAL A 80 -5.032 -6.838 4.694 1.00 0.00 C ATOM 1225 C VAL A 80 -4.551 -7.692 5.868 1.00 0.00 C ATOM 1226 O VAL A 80 -3.449 -7.484 6.374 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.169 -5.872 5.096 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.888 -5.178 6.435 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.404 -4.796 4.023 1.00 0.00 C ATOM 0 H VAL A 80 -6.485 -7.562 3.402 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.190 -6.233 4.357 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.063 -6.487 5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.713 -4.509 6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.786 -5.928 7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.965 -4.604 6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.211 -4.135 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.492 -4.215 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.676 -5.274 3.082 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.377 -8.642 6.313 1.00 0.00 N ATOM 1240 CA ASP A 81 -5.065 -9.519 7.437 1.00 0.00 C ATOM 1241 C ASP A 81 -3.816 -10.350 7.129 1.00 0.00 C ATOM 1242 O ASP A 81 -2.976 -10.545 8.007 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.283 -10.404 7.746 1.00 0.00 C ATOM 1244 CG ASP A 81 -6.351 -10.806 9.214 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -6.682 -9.920 10.041 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -6.213 -12.010 9.518 1.00 0.00 O ATOM 0 H ASP A 81 -6.290 -8.823 5.897 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.846 -8.924 8.323 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.194 -9.871 7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.243 -11.301 7.128 1.00 0.00 H new ATOM 1251 N SER A 82 -3.663 -10.767 5.867 1.00 0.00 N ATOM 1252 CA SER A 82 -2.543 -11.553 5.372 1.00 0.00 C ATOM 1253 C SER A 82 -1.219 -10.786 5.430 1.00 0.00 C ATOM 1254 O SER A 82 -0.187 -11.402 5.677 1.00 0.00 O ATOM 1255 CB SER A 82 -2.831 -11.990 3.931 1.00 0.00 C ATOM 1256 OG SER A 82 -2.069 -13.126 3.563 1.00 0.00 O ATOM 0 H SER A 82 -4.346 -10.554 5.140 1.00 0.00 H new ATOM 0 HA SER A 82 -2.436 -12.424 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.892 -12.214 3.825 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.609 -11.168 3.251 1.00 0.00 H new ATOM 0 HG SER A 82 -2.280 -13.376 2.639 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.213 -9.470 5.205 1.00 0.00 N ATOM 1263 CA VAL A 83 0.030 -8.701 5.226 1.00 0.00 C ATOM 1264 C VAL A 83 0.664 -8.758 6.621 1.00 0.00 C ATOM 1265 O VAL A 83 1.889 -8.813 6.737 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.255 -7.259 4.746 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.841 -6.248 5.113 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.408 -7.235 3.218 1.00 0.00 C ATOM 0 H VAL A 83 -2.049 -8.920 5.008 1.00 0.00 H new ATOM 0 HA VAL A 83 0.758 -9.134 4.540 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.171 -6.962 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.565 -5.261 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.952 -6.209 6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.785 -6.555 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.609 -6.216 2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.512 -7.592 2.755 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.236 -7.881 2.925 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.144 -8.772 7.683 1.00 0.00 N ATOM 1279 CA LYS A 84 0.361 -8.828 9.053 1.00 0.00 C ATOM 1280 C LYS A 84 0.990 -10.190 9.335 1.00 0.00 C ATOM 1281 O LYS A 84 1.982 -10.258 10.059 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.777 -8.563 10.045 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.556 -7.269 9.752 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.737 -7.115 10.709 1.00 0.00 C ATOM 1285 CE LYS A 84 -3.512 -5.837 10.397 1.00 0.00 C ATOM 1286 NZ LYS A 84 -4.755 -5.762 11.180 1.00 0.00 N ATOM 0 H LYS A 84 -1.161 -8.745 7.617 1.00 0.00 H new ATOM 0 HA LYS A 84 1.124 -8.059 9.172 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.468 -9.406 10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.365 -8.510 11.053 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.891 -6.410 9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.916 -7.281 8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.397 -7.978 10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.378 -7.088 11.738 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.889 -4.969 10.615 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.747 -5.802 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.260 -4.883 10.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.358 -6.578 10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.527 -5.771 12.195 1.00 0.00 H new ATOM 1300 N GLU A 85 0.449 -11.259 8.739 1.00 0.00 N ATOM 1301 CA GLU A 85 0.997 -12.611 8.845 1.00 0.00 C ATOM 1302 C GLU A 85 2.414 -12.673 8.269 1.00 0.00 C ATOM 1303 O GLU A 85 3.202 -13.543 8.634 1.00 0.00 O ATOM 1304 CB GLU A 85 0.159 -13.624 8.083 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.326 -13.610 8.449 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.771 -14.661 9.457 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -1.200 -14.727 10.570 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -2.799 -15.323 9.172 1.00 0.00 O ATOM 0 H GLU A 85 -0.391 -11.206 8.163 1.00 0.00 H new ATOM 0 HA GLU A 85 0.998 -12.854 9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.260 -13.433 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.558 -14.621 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.574 -12.626 8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.907 -13.741 7.536 1.00 0.00 H new ATOM 1315 N ASN A 86 2.718 -11.759 7.346 1.00 0.00 N ATOM 1316 CA ASN A 86 3.968 -11.636 6.606 1.00 0.00 C ATOM 1317 C ASN A 86 4.876 -10.569 7.214 1.00 0.00 C ATOM 1318 O ASN A 86 5.858 -10.168 6.585 1.00 0.00 O ATOM 1319 CB ASN A 86 3.642 -11.285 5.151 1.00 0.00 C ATOM 1320 CG ASN A 86 2.988 -12.420 4.389 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.688 -13.492 4.903 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.739 -12.193 3.119 1.00 0.00 N ATOM 0 H ASN A 86 2.049 -11.037 7.080 1.00 0.00 H new ATOM 0 HA ASN A 86 4.503 -12.584 6.656 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.982 -10.418 5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.561 -10.996 4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.292 -12.912 2.550 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.993 -11.298 2.702 1.00 0.00 H new ATOM 1329 N ALA A 87 4.548 -10.093 8.416 1.00 0.00 N ATOM 1330 CA ALA A 87 5.255 -9.033 9.127 1.00 0.00 C ATOM 1331 C ALA A 87 5.336 -7.718 8.331 1.00 0.00 C ATOM 1332 O ALA A 87 6.317 -6.978 8.478 1.00 0.00 O ATOM 1333 CB ALA A 87 6.638 -9.524 9.587 1.00 0.00 C ATOM 0 H ALA A 87 3.750 -10.452 8.940 1.00 0.00 H new ATOM 0 HA ALA A 87 4.668 -8.792 10.013 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.152 -8.721 10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.518 -10.378 10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.226 -9.821 8.719 1.00 0.00 H new ATOM 1339 N GLY A 88 4.325 -7.381 7.523 1.00 0.00 N ATOM 1340 CA GLY A 88 4.208 -6.064 6.900 1.00 0.00 C ATOM 1341 C GLY A 88 3.325 -5.141 7.732 1.00 0.00 C ATOM 1342 O GLY A 88 2.421 -5.585 8.446 1.00 0.00 O ATOM 0 H GLY A 88 3.565 -8.017 7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.198 -5.622 6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.790 -6.168 5.899 1.00 0.00 H new ATOM 1346 N THR A 89 3.562 -3.839 7.609 1.00 0.00 N ATOM 1347 CA THR A 89 2.748 -2.802 8.223 1.00 0.00 C ATOM 1348 C THR A 89 1.433 -2.670 7.439 1.00 0.00 C ATOM 1349 O THR A 89 1.411 -2.840 6.218 1.00 0.00 O ATOM 1350 CB THR A 89 3.511 -1.467 8.213 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.881 -1.610 8.529 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.913 -0.455 9.200 1.00 0.00 C ATOM 0 H THR A 89 4.343 -3.470 7.067 1.00 0.00 H new ATOM 0 HA THR A 89 2.528 -3.067 9.257 1.00 0.00 H new ATOM 0 HB THR A 89 3.413 -1.104 7.190 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.369 -1.917 7.737 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.483 0.473 9.160 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.875 -0.255 8.933 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.955 -0.863 10.210 1.00 0.00 H new ATOM 1360 N VAL A 90 0.360 -2.258 8.110 1.00 0.00 N ATOM 1361 CA VAL A 90 -0.939 -1.977 7.514 1.00 0.00 C ATOM 1362 C VAL A 90 -1.282 -0.522 7.820 1.00 0.00 C ATOM 1363 O VAL A 90 -0.991 -0.038 8.915 1.00 0.00 O ATOM 1364 CB VAL A 90 -1.953 -3.000 8.068 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.385 -2.707 7.635 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -1.594 -4.409 7.562 1.00 0.00 C ATOM 0 H VAL A 90 0.374 -2.106 9.119 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.950 -2.086 6.430 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.898 -2.933 9.155 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.053 -3.459 8.055 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.679 -1.720 7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.448 -2.732 6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.311 -5.130 7.954 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.624 -4.423 6.473 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.592 -4.673 7.901 1.00 0.00 H new ATOM 1376 N ARG A 91 -1.902 0.192 6.878 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.323 1.582 7.054 1.00 0.00 C ATOM 1378 C ARG A 91 -3.751 1.697 6.554 1.00 0.00 C ATOM 1379 O ARG A 91 -4.026 1.435 5.380 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.423 2.551 6.259 1.00 0.00 C ATOM 1381 CG ARG A 91 0.089 2.383 6.422 1.00 0.00 C ATOM 1382 CD ARG A 91 0.639 3.163 7.607 1.00 0.00 C ATOM 1383 NE ARG A 91 2.060 2.839 7.814 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.904 3.449 8.649 1.00 0.00 C ATOM 1385 NH1 ARG A 91 2.495 4.452 9.418 1.00 0.00 N ATOM 1386 NH2 ARG A 91 4.168 3.041 8.707 1.00 0.00 N ATOM 0 H ARG A 91 -2.129 -0.186 5.958 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.247 1.851 8.108 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.664 2.447 5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.684 3.569 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.322 1.326 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.588 2.713 5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.524 4.233 7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.069 2.924 8.505 1.00 0.00 H new ATOM 0 HE ARG A 91 2.439 2.069 7.263 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.525 4.765 9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.151 4.909 10.052 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.483 2.270 8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.823 3.499 9.341 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.651 2.111 7.430 1.00 0.00 N ATOM 1401 CA ILE A 92 -6.046 2.345 7.095 1.00 0.00 C ATOM 1402 C ILE A 92 -6.118 3.829 6.781 1.00 0.00 C ATOM 1403 O ILE A 92 -5.716 4.628 7.625 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.970 1.965 8.279 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.668 0.579 8.892 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.440 2.044 7.837 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -7.035 -0.599 7.991 1.00 0.00 C ATOM 0 H ILE A 92 -4.430 2.297 8.408 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.382 1.737 6.255 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.772 2.689 9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.606 0.523 9.129 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.210 0.485 9.833 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.086 1.776 8.673 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.668 3.059 7.513 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.609 1.353 7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.791 -1.533 8.496 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.103 -0.572 7.774 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.473 -0.533 7.059 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.616 4.219 5.612 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.703 5.632 5.268 1.00 0.00 C ATOM 1421 C PHE A 93 -8.045 6.172 5.747 1.00 0.00 C ATOM 1422 O PHE A 93 -8.921 5.417 6.171 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.494 5.833 3.757 1.00 0.00 C ATOM 1424 CG PHE A 93 -5.049 6.003 3.330 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -4.034 5.176 3.848 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.715 7.005 2.402 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.693 5.406 3.508 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -3.374 7.202 2.031 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.358 6.417 2.597 1.00 0.00 C ATOM 0 H PHE A 93 -6.962 3.583 4.894 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.912 6.192 5.766 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.915 4.977 3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -7.057 6.711 3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.289 4.361 4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.490 7.624 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.915 4.801 3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -3.124 7.962 1.306 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.325 6.591 2.333 1.00 0.00 H new ATOM 1439 N SER A 94 -8.174 7.493 5.762 1.00 0.00 N ATOM 1440 CA SER A 94 -9.436 8.184 5.920 1.00 0.00 C ATOM 1441 C SER A 94 -9.811 8.667 4.525 1.00 0.00 C ATOM 1442 O SER A 94 -9.150 9.580 4.026 1.00 0.00 O ATOM 1443 CB SER A 94 -9.255 9.364 6.885 1.00 0.00 C ATOM 1444 OG SER A 94 -8.869 8.927 8.176 1.00 0.00 O ATOM 0 H SER A 94 -7.380 8.125 5.662 1.00 0.00 H new ATOM 0 HA SER A 94 -10.216 7.546 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.501 10.045 6.490 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.187 9.925 6.954 1.00 0.00 H new ATOM 0 HG SER A 94 -8.761 9.703 8.765 1.00 0.00 H new ATOM 1450 N SER A 95 -10.847 8.082 3.916 1.00 0.00 N ATOM 1451 CA SER A 95 -11.414 8.508 2.635 1.00 0.00 C ATOM 1452 C SER A 95 -11.563 10.047 2.545 1.00 0.00 C ATOM 1453 O SER A 95 -11.393 10.638 1.476 1.00 0.00 O ATOM 1454 CB SER A 95 -12.763 7.790 2.487 1.00 0.00 C ATOM 1455 OG SER A 95 -13.455 8.195 1.329 1.00 0.00 O ATOM 0 H SER A 95 -11.328 7.275 4.314 1.00 0.00 H new ATOM 0 HA SER A 95 -10.746 8.241 1.816 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.598 6.713 2.452 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.378 7.990 3.365 1.00 0.00 H new ATOM 0 HG SER A 95 -13.252 7.579 0.594 1.00 0.00 H new ATOM 1461 N LEU A 96 -11.867 10.702 3.674 1.00 0.00 N ATOM 1462 CA LEU A 96 -12.134 12.117 3.837 1.00 0.00 C ATOM 1463 C LEU A 96 -10.917 13.013 3.556 1.00 0.00 C ATOM 1464 O LEU A 96 -11.076 14.144 3.085 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.578 12.330 5.296 1.00 0.00 C ATOM 1466 CG LEU A 96 -13.728 11.455 5.847 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -15.025 11.597 5.047 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -13.429 9.965 6.088 1.00 0.00 C ATOM 0 H LEU A 96 -11.935 10.205 4.562 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.898 12.400 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.708 12.176 5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.873 13.374 5.405 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.853 11.882 6.842 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.793 10.958 5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.357 12.635 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.849 11.299 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.322 9.473 6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.133 9.497 5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -12.620 9.869 6.812 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.718 12.554 3.921 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.475 13.292 3.884 1.00 0.00 C ATOM 1482 C HIS A 97 -7.982 13.477 2.445 1.00 0.00 C ATOM 1483 O HIS A 97 -8.302 12.673 1.570 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.463 12.468 4.706 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.180 13.196 4.967 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -4.902 12.751 4.756 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -6.105 14.479 5.408 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.070 13.769 5.020 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -4.754 14.855 5.428 1.00 0.00 N ATOM 0 H HIS A 97 -9.593 11.603 4.268 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.603 14.293 4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.917 12.193 5.658 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.245 11.540 4.177 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.940 15.101 5.693 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.996 13.724 4.919 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.370 15.761 5.696 1.00 0.00 H new ATOM 1497 N VAL A 98 -7.096 14.454 2.213 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.443 14.631 0.919 1.00 0.00 C ATOM 1499 C VAL A 98 -5.716 13.349 0.516 1.00 0.00 C ATOM 1500 O VAL A 98 -5.718 12.996 -0.656 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.523 15.881 0.927 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.012 15.595 0.935 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -5.804 16.765 -0.291 1.00 0.00 C ATOM 0 H VAL A 98 -6.816 15.138 2.916 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.198 14.819 0.156 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.767 16.371 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.463 16.537 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.755 15.021 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.745 15.025 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.149 17.636 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.620 16.197 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.844 17.092 -0.271 1.00 0.00 H new ATOM 1513 N SER A 99 -5.113 12.619 1.461 1.00 0.00 N ATOM 1514 CA SER A 99 -4.427 11.380 1.123 1.00 0.00 C ATOM 1515 C SER A 99 -5.390 10.290 0.639 1.00 0.00 C ATOM 1516 O SER A 99 -4.925 9.341 0.016 1.00 0.00 O ATOM 1517 CB SER A 99 -3.594 10.886 2.302 1.00 0.00 C ATOM 1518 OG SER A 99 -2.766 11.912 2.800 1.00 0.00 O ATOM 0 H SER A 99 -5.089 12.865 2.451 1.00 0.00 H new ATOM 0 HA SER A 99 -3.759 11.602 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.253 10.529 3.093 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.982 10.039 1.990 1.00 0.00 H new ATOM 0 HG SER A 99 -1.903 11.891 2.335 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.697 10.418 0.883 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.693 9.537 0.303 1.00 0.00 C ATOM 1526 C GLY A 100 -7.918 9.899 -1.155 1.00 0.00 C ATOM 1527 O GLY A 100 -7.812 9.031 -2.016 1.00 0.00 O ATOM 0 H GLY A 100 -7.087 11.139 1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.365 8.501 0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.629 9.619 0.856 1.00 0.00 H new ATOM 1531 N GLU A 101 -8.111 11.189 -1.447 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.187 11.717 -2.813 1.00 0.00 C ATOM 1533 C GLU A 101 -6.940 11.303 -3.615 1.00 0.00 C ATOM 1534 O GLU A 101 -7.013 10.984 -4.804 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.302 13.237 -2.794 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.521 13.747 -2.030 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.806 13.796 -2.857 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -11.354 12.738 -3.225 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -11.349 14.914 -3.042 1.00 0.00 O ATOM 0 H GLU A 101 -8.220 11.907 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.075 11.302 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.401 13.656 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.347 13.603 -3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.685 13.108 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.307 14.747 -1.653 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.782 11.281 -2.944 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.562 10.701 -3.472 1.00 0.00 C ATOM 1548 C GLN A 102 -4.751 9.211 -3.753 1.00 0.00 C ATOM 1549 O GLN A 102 -4.638 8.814 -4.910 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.349 10.987 -2.614 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.031 12.484 -2.586 1.00 0.00 C ATOM 1552 CD GLN A 102 -2.968 13.175 -3.938 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -2.081 12.882 -4.740 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -3.886 14.085 -4.205 1.00 0.00 N ATOM 0 H GLN A 102 -5.675 11.673 -2.008 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.354 11.192 -4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.526 10.631 -1.599 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.490 10.437 -2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.785 12.985 -1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.074 12.623 -2.084 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.606 14.301 -3.515 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.876 14.572 -5.101 1.00 0.00 H new ATOM 1563 N LEU A 103 -5.007 8.360 -2.749 1.00 0.00 N ATOM 1564 CA LEU A 103 -5.057 6.908 -2.947 1.00 0.00 C ATOM 1565 C LEU A 103 -6.055 6.523 -4.027 1.00 0.00 C ATOM 1566 O LEU A 103 -5.812 5.573 -4.762 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.430 6.176 -1.641 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.810 4.775 -1.509 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.291 4.708 -1.595 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.197 4.150 -0.166 1.00 0.00 C ATOM 0 H LEU A 103 -5.183 8.656 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.058 6.605 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.113 6.783 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.515 6.089 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.210 4.238 -2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.966 3.673 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.964 5.094 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.855 5.309 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.752 3.158 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.833 4.779 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.282 4.067 -0.102 1.00 0.00 H new ATOM 1582 N SER A 104 -7.155 7.259 -4.145 1.00 0.00 N ATOM 1583 CA SER A 104 -8.218 7.023 -5.106 1.00 0.00 C ATOM 1584 C SER A 104 -7.711 7.017 -6.549 1.00 0.00 C ATOM 1585 O SER A 104 -8.249 6.280 -7.379 1.00 0.00 O ATOM 1586 CB SER A 104 -9.283 8.108 -4.942 1.00 0.00 C ATOM 1587 OG SER A 104 -10.565 7.524 -5.074 1.00 0.00 O ATOM 0 H SER A 104 -7.334 8.067 -3.549 1.00 0.00 H new ATOM 0 HA SER A 104 -8.635 6.036 -4.908 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.186 8.585 -3.967 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.145 8.886 -5.693 1.00 0.00 H new ATOM 0 HG SER A 104 -11.252 8.215 -4.968 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.690 7.815 -6.868 1.00 0.00 N ATOM 1594 CA GLN A 105 -6.036 7.818 -8.177 1.00 0.00 C ATOM 1595 C GLN A 105 -5.429 6.450 -8.491 1.00 0.00 C ATOM 1596 O GLN A 105 -5.366 6.035 -9.647 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.956 8.906 -8.173 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.581 10.301 -8.311 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.613 11.414 -7.924 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -3.639 11.675 -8.624 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -4.855 12.085 -6.808 1.00 0.00 N ATOM 0 H GLN A 105 -6.289 8.487 -6.214 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.771 8.028 -8.954 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.382 8.850 -7.248 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.258 8.734 -8.992 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.908 10.449 -9.340 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.470 10.362 -7.683 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.670 11.853 -6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.227 12.834 -6.517 1.00 0.00 H new ATOM 1610 N LEU A 106 -5.048 5.724 -7.446 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.481 4.392 -7.460 1.00 0.00 C ATOM 1612 C LEU A 106 -5.548 3.379 -7.015 1.00 0.00 C ATOM 1613 O LEU A 106 -5.239 2.369 -6.381 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.259 4.376 -6.533 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.183 5.433 -6.834 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.131 5.340 -5.742 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.468 5.244 -8.176 1.00 0.00 C ATOM 0 H LEU A 106 -5.137 6.085 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.160 4.114 -8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.601 4.514 -5.507 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.798 3.389 -6.585 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.691 6.397 -6.877 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.350 6.078 -5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.593 5.533 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.694 4.342 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.726 6.032 -8.307 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.972 4.273 -8.191 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.196 5.292 -8.986 1.00 0.00 H new ATOM 1629 N THR A 107 -6.822 3.642 -7.316 1.00 0.00 N ATOM 1630 CA THR A 107 -7.996 2.820 -7.005 1.00 0.00 C ATOM 1631 C THR A 107 -8.342 2.761 -5.503 1.00 0.00 C ATOM 1632 O THR A 107 -9.348 2.155 -5.134 1.00 0.00 O ATOM 1633 CB THR A 107 -7.923 1.436 -7.702 1.00 0.00 C ATOM 1634 OG1 THR A 107 -6.975 0.549 -7.148 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.556 1.546 -9.184 1.00 0.00 C ATOM 0 H THR A 107 -7.079 4.492 -7.817 1.00 0.00 H new ATOM 0 HA THR A 107 -8.857 3.331 -7.436 1.00 0.00 H new ATOM 0 HB THR A 107 -8.930 1.045 -7.555 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.425 1.026 -6.492 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.518 0.550 -9.624 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.307 2.143 -9.701 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.581 2.024 -9.283 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.565 3.433 -4.651 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.662 3.483 -3.197 1.00 0.00 C ATOM 1645 C GLY A 108 -6.997 2.283 -2.524 1.00 0.00 C ATOM 1646 O GLY A 108 -7.335 1.973 -1.384 1.00 0.00 O ATOM 0 H GLY A 108 -6.790 4.001 -4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.198 4.401 -2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.712 3.522 -2.907 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.056 1.605 -3.195 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.397 0.416 -2.666 1.00 0.00 C ATOM 1652 C VAL A 109 -3.973 0.291 -3.245 1.00 0.00 C ATOM 1653 O VAL A 109 -3.810 0.168 -4.460 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.316 -0.804 -2.927 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.812 -0.972 -4.360 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.655 -2.089 -2.483 1.00 0.00 C ATOM 0 H VAL A 109 -5.733 1.872 -4.125 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.252 0.479 -1.587 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.201 -0.587 -2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.445 -1.857 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.386 -0.093 -4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.959 -1.087 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.323 -2.928 -2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.725 -2.229 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.440 -2.037 -1.416 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.933 0.324 -2.400 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.527 0.191 -2.781 1.00 0.00 C ATOM 1668 C ALA A 110 -0.659 -0.402 -1.648 1.00 0.00 C ATOM 1669 O ALA A 110 -1.166 -0.702 -0.569 1.00 0.00 O ATOM 1670 CB ALA A 110 -1.029 1.569 -3.241 1.00 0.00 C ATOM 0 H ALA A 110 -3.057 0.449 -1.395 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.438 -0.523 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.019 1.499 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.620 1.904 -4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.132 2.284 -2.425 1.00 0.00 H new ATOM 1676 N ALA A 111 0.645 -0.608 -1.873 1.00 0.00 N ATOM 1677 CA ALA A 111 1.646 -0.984 -0.872 1.00 0.00 C ATOM 1678 C ALA A 111 3.056 -0.658 -1.366 1.00 0.00 C ATOM 1679 O ALA A 111 3.348 -0.748 -2.561 1.00 0.00 O ATOM 1680 CB ALA A 111 1.608 -2.487 -0.559 1.00 0.00 C ATOM 0 H ALA A 111 1.048 -0.512 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 111 1.407 -0.415 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.366 -2.722 0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.624 -2.754 -0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.807 -3.053 -1.469 1.00 0.00 H new ATOM 1686 N ILE A 112 3.932 -0.349 -0.415 1.00 0.00 N ATOM 1687 CA ILE A 112 5.371 -0.247 -0.563 1.00 0.00 C ATOM 1688 C ILE A 112 5.934 -1.652 -0.420 1.00 0.00 C ATOM 1689 O ILE A 112 5.451 -2.443 0.401 1.00 0.00 O ATOM 1690 CB ILE A 112 5.949 0.685 0.528 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.325 2.087 0.398 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.483 0.772 0.411 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.648 3.025 1.560 1.00 0.00 C ATOM 0 H ILE A 112 3.631 -0.151 0.539 1.00 0.00 H new ATOM 0 HA ILE A 112 5.638 0.174 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 112 5.704 0.273 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.672 2.543 -0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.243 1.985 0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.870 1.432 1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.914 -0.222 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.751 1.167 -0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.171 3.991 1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.276 2.594 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.727 3.160 1.629 1.00 0.00 H new ATOM 1705 N LEU A 113 6.990 -1.939 -1.176 1.00 0.00 N ATOM 1706 CA LEU A 113 7.657 -3.225 -1.173 1.00 0.00 C ATOM 1707 C LEU A 113 9.085 -3.027 -0.692 1.00 0.00 C ATOM 1708 O LEU A 113 9.764 -2.102 -1.139 1.00 0.00 O ATOM 1709 CB LEU A 113 7.640 -3.858 -2.568 1.00 0.00 C ATOM 1710 CG LEU A 113 6.270 -3.841 -3.268 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.372 -4.253 -4.734 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.280 -4.758 -2.573 1.00 0.00 C ATOM 0 H LEU A 113 7.410 -1.267 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 113 7.131 -3.905 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.360 -3.335 -3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.978 -4.891 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 113 5.915 -2.812 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.382 -4.227 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.032 -3.563 -5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.775 -5.263 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.323 -4.722 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.660 -5.779 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.145 -4.432 -1.542 1.00 0.00 H new ATOM 1724 N ARG A 114 9.552 -3.918 0.182 1.00 0.00 N ATOM 1725 CA ARG A 114 10.909 -3.898 0.722 1.00 0.00 C ATOM 1726 C ARG A 114 11.941 -4.030 -0.398 1.00 0.00 C ATOM 1727 O ARG A 114 13.001 -3.402 -0.356 1.00 0.00 O ATOM 1728 CB ARG A 114 11.091 -5.041 1.736 1.00 0.00 C ATOM 1729 CG ARG A 114 10.053 -5.081 2.864 1.00 0.00 C ATOM 1730 CD ARG A 114 10.375 -6.151 3.908 1.00 0.00 C ATOM 1731 NE ARG A 114 11.059 -5.591 5.088 1.00 0.00 N ATOM 1732 CZ ARG A 114 12.380 -5.507 5.293 1.00 0.00 C ATOM 1733 NH1 ARG A 114 13.247 -5.962 4.393 1.00 0.00 N ATOM 1734 NH2 ARG A 114 12.826 -4.969 6.419 1.00 0.00 N ATOM 0 H ARG A 114 8.987 -4.688 0.540 1.00 0.00 H new ATOM 0 HA ARG A 114 11.063 -2.943 1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 114 11.059 -5.990 1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.083 -4.958 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.007 -4.106 3.348 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.067 -5.273 2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.452 -6.638 4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.003 -6.919 3.457 1.00 0.00 H new ATOM 0 HE ARG A 114 10.460 -5.228 5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 114 12.910 -6.384 3.528 1.00 0.00 H new ATOM 0 HH12 ARG A 114 14.249 -5.889 4.568 1.00 0.00 H new ATOM 0 HH21 ARG A 114 12.166 -4.625 7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 114 13.829 -4.899 6.588 1.00 0.00 H new ATOM 1748 N PHE A 115 11.628 -4.874 -1.377 1.00 0.00 N ATOM 1749 CA PHE A 115 12.431 -5.267 -2.522 1.00 0.00 C ATOM 1750 C PHE A 115 11.516 -5.230 -3.747 1.00 0.00 C ATOM 1751 O PHE A 115 10.297 -5.317 -3.585 1.00 0.00 O ATOM 1752 CB PHE A 115 12.998 -6.678 -2.297 1.00 0.00 C ATOM 1753 CG PHE A 115 12.024 -7.709 -1.758 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.236 -8.510 -2.612 1.00 0.00 C ATOM 1755 CD2 PHE A 115 11.950 -7.894 -0.369 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.453 -9.543 -2.066 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.109 -8.874 0.177 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.387 -9.722 -0.674 1.00 0.00 C ATOM 0 H PHE A 115 10.721 -5.341 -1.386 1.00 0.00 H new ATOM 0 HA PHE A 115 13.276 -4.594 -2.666 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.396 -7.043 -3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.838 -6.605 -1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.234 -8.331 -3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.546 -7.276 0.286 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.900 -10.201 -2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.018 -8.975 1.248 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.780 -10.513 -0.260 1.00 0.00 H new ATOM 1768 N PRO A 116 12.061 -5.106 -4.968 1.00 0.00 N ATOM 1769 CA PRO A 116 11.256 -5.130 -6.174 1.00 0.00 C ATOM 1770 C PRO A 116 10.645 -6.518 -6.298 1.00 0.00 C ATOM 1771 O PRO A 116 11.352 -7.527 -6.244 1.00 0.00 O ATOM 1772 CB PRO A 116 12.194 -4.761 -7.321 1.00 0.00 C ATOM 1773 CG PRO A 116 13.576 -5.157 -6.812 1.00 0.00 C ATOM 1774 CD PRO A 116 13.475 -5.058 -5.291 1.00 0.00 C ATOM 0 HA PRO A 116 10.426 -4.423 -6.173 1.00 0.00 H new ATOM 0 HB2 PRO A 116 11.937 -5.297 -8.235 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.144 -3.697 -7.551 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.839 -6.167 -7.126 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.347 -4.492 -7.201 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.010 -5.878 -4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.924 -4.132 -4.932 1.00 0.00 H new ATOM 1782 N VAL A 117 9.323 -6.584 -6.407 1.00 0.00 N ATOM 1783 CA VAL A 117 8.651 -7.837 -6.706 1.00 0.00 C ATOM 1784 C VAL A 117 8.894 -8.087 -8.201 1.00 0.00 C ATOM 1785 O VAL A 117 8.542 -7.221 -9.007 1.00 0.00 O ATOM 1786 CB VAL A 117 7.162 -7.716 -6.351 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.344 -8.921 -6.832 1.00 0.00 C ATOM 1788 CG2 VAL A 117 6.929 -7.594 -4.838 1.00 0.00 C ATOM 0 H VAL A 117 8.699 -5.785 -6.293 1.00 0.00 H new ATOM 0 HA VAL A 117 9.028 -8.679 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 117 6.833 -6.810 -6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.299 -8.785 -6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.425 -9.006 -7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.727 -9.830 -6.367 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.860 -7.511 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.324 -8.478 -4.337 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.438 -6.706 -4.462 1.00 0.00 H new ATOM 1798 N PRO A 118 9.502 -9.214 -8.604 1.00 0.00 N ATOM 1799 CA PRO A 118 9.650 -9.534 -10.016 1.00 0.00 C ATOM 1800 C PRO A 118 8.269 -9.734 -10.637 1.00 0.00 C ATOM 1801 O PRO A 118 7.373 -10.307 -10.005 1.00 0.00 O ATOM 1802 CB PRO A 118 10.514 -10.797 -10.063 1.00 0.00 C ATOM 1803 CG PRO A 118 10.273 -11.462 -8.709 1.00 0.00 C ATOM 1804 CD PRO A 118 10.006 -10.293 -7.766 1.00 0.00 C ATOM 0 HA PRO A 118 10.126 -8.740 -10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 118 10.222 -11.450 -10.886 1.00 0.00 H new ATOM 0 HB3 PRO A 118 11.567 -10.555 -10.207 1.00 0.00 H new ATOM 0 HG2 PRO A 118 9.426 -12.147 -8.746 1.00 0.00 H new ATOM 0 HG3 PRO A 118 11.138 -12.043 -8.390 1.00 0.00 H new ATOM 0 HD2 PRO A 118 9.279 -10.566 -7.001 1.00 0.00 H new ATOM 0 HD3 PRO A 118 10.917 -9.993 -7.248 1.00 0.00 H new ATOM 1812 N SER A 119 8.096 -9.290 -11.878 1.00 0.00 N ATOM 1813 CA SER A 119 6.928 -9.579 -12.689 1.00 0.00 C ATOM 1814 C SER A 119 7.260 -9.264 -14.146 1.00 0.00 C ATOM 1815 O SER A 119 8.275 -8.620 -14.438 1.00 0.00 O ATOM 1816 CB SER A 119 5.713 -8.784 -12.182 1.00 0.00 C ATOM 1817 OG SER A 119 5.986 -7.417 -11.940 1.00 0.00 O ATOM 0 H SER A 119 8.783 -8.706 -12.355 1.00 0.00 H new ATOM 0 HA SER A 119 6.662 -10.633 -12.614 1.00 0.00 H new ATOM 0 HB2 SER A 119 4.909 -8.860 -12.914 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.350 -9.241 -11.261 1.00 0.00 H new ATOM 0 HG SER A 119 5.173 -6.972 -11.623 1.00 0.00 H new ATOM 1823 N GLY A 120 6.395 -9.674 -15.073 1.00 0.00 N ATOM 1824 CA GLY A 120 6.392 -9.128 -16.424 1.00 0.00 C ATOM 1825 C GLY A 120 5.348 -8.009 -16.524 1.00 0.00 C ATOM 1826 O GLY A 120 4.486 -7.910 -15.640 1.00 0.00 O ATOM 0 H GLY A 120 5.684 -10.387 -14.909 1.00 0.00 H new ATOM 0 HA2 GLY A 120 7.380 -8.741 -16.673 1.00 0.00 H new ATOM 0 HA3 GLY A 120 6.167 -9.914 -17.144 1.00 0.00 H new ATOM 1830 N PRO A 121 5.391 -7.192 -17.590 1.00 0.00 N ATOM 1831 CA PRO A 121 4.471 -6.079 -17.793 1.00 0.00 C ATOM 1832 C PRO A 121 3.005 -6.517 -17.904 1.00 0.00 C ATOM 1833 O PRO A 121 2.683 -7.699 -18.090 1.00 0.00 O ATOM 1834 CB PRO A 121 4.970 -5.357 -19.057 1.00 0.00 C ATOM 1835 CG PRO A 121 5.801 -6.409 -19.783 1.00 0.00 C ATOM 1836 CD PRO A 121 6.418 -7.177 -18.619 1.00 0.00 C ATOM 0 HA PRO A 121 4.472 -5.415 -16.929 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.140 -5.011 -19.672 1.00 0.00 H new ATOM 0 HB3 PRO A 121 5.568 -4.481 -18.806 1.00 0.00 H new ATOM 0 HG2 PRO A 121 5.187 -7.050 -20.416 1.00 0.00 H new ATOM 0 HG3 PRO A 121 6.559 -5.960 -20.424 1.00 0.00 H new ATOM 0 HD2 PRO A 121 6.694 -8.189 -18.916 1.00 0.00 H new ATOM 0 HD3 PRO A 121 7.326 -6.691 -18.263 1.00 0.00 H new ATOM 1844 N SER A 122 2.120 -5.523 -17.808 1.00 0.00 N ATOM 1845 CA SER A 122 0.673 -5.633 -17.919 1.00 0.00 C ATOM 1846 C SER A 122 0.122 -4.426 -18.689 1.00 0.00 C ATOM 1847 O SER A 122 -0.806 -3.749 -18.240 1.00 0.00 O ATOM 1848 CB SER A 122 0.063 -5.734 -16.519 1.00 0.00 C ATOM 1849 OG SER A 122 0.551 -6.859 -15.803 1.00 0.00 O ATOM 0 H SER A 122 2.418 -4.562 -17.640 1.00 0.00 H new ATOM 0 HA SER A 122 0.406 -6.533 -18.472 1.00 0.00 H new ATOM 0 HB2 SER A 122 0.286 -4.825 -15.961 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.022 -5.800 -16.601 1.00 0.00 H new ATOM 0 HG SER A 122 0.138 -6.886 -14.915 1.00 0.00 H new ATOM 1855 N SER A 123 0.708 -4.145 -19.849 1.00 0.00 N ATOM 1856 CA SER A 123 0.273 -3.112 -20.768 1.00 0.00 C ATOM 1857 C SER A 123 0.149 -3.790 -22.134 1.00 0.00 C ATOM 1858 O SER A 123 -0.922 -4.329 -22.432 1.00 0.00 O ATOM 1859 CB SER A 123 1.245 -1.929 -20.656 1.00 0.00 C ATOM 1860 OG SER A 123 0.843 -0.797 -21.400 1.00 0.00 O ATOM 0 H SER A 123 1.528 -4.652 -20.182 1.00 0.00 H new ATOM 0 HA SER A 123 -0.701 -2.672 -20.556 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.344 -1.648 -19.607 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.231 -2.246 -20.996 1.00 0.00 H new ATOM 0 HG SER A 123 1.501 -0.080 -21.286 1.00 0.00 H new ATOM 1866 N GLY A 124 1.235 -3.856 -22.904 1.00 0.00 N ATOM 1867 CA GLY A 124 1.428 -4.746 -24.032 1.00 0.00 C ATOM 1868 C GLY A 124 2.669 -5.536 -23.694 1.00 0.00 C ATOM 1869 O GLY A 124 2.587 -6.770 -23.514 1.00 0.00 O ATOM 0 H GLY A 124 2.043 -3.255 -22.743 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.568 -5.401 -24.170 1.00 0.00 H new ATOM 0 HA3 GLY A 124 1.555 -4.187 -24.959 1.00 0.00 H new TER 1873 GLY A 124