USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 804 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 57 TYR OH : rot 180:sc= 0.744 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 160:sc= 0.703 (180deg=-0.145) USER MOD Set 2.1: A 59 SER OG : rot 111:sc= 0.39 USER MOD Set 2.2: A 69 LYS NZ :NH3+ 178:sc= 1.21 (180deg=0) USER MOD Set 3.1: A 11 LYS NZ :NH3+ 141:sc= 1.22 (180deg=-0.893) USER MOD Set 3.2: A 56 TYR OH : rot 51:sc= 2.36 USER MOD Single : A 0 SER OG : rot 16:sc= -1.86! USER MOD Single : A 9 LYS NZ :NH3+ 135:sc= -1.28 (180deg=-3.63!) USER MOD Single : A -1 GLY N :NH3+ -134:sc= 0.102 (180deg=-0.0197) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0223 X(o=-0.022,f=-0.051) USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= 0.738 (180deg=0.378) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.04) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= -0.0715 (180deg=-0.456) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= -0.0271 (180deg=-0.22) USER MOD Single : A 37 TYR OH : rot 80:sc= 1.02 USER MOD Single : A 41 THR OG1 : rot -176:sc= -0.0269 USER MOD Single : A 42 LYS NZ :NH3+ -143:sc= -0.795! (180deg=-3.09!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0355 USER MOD Single : A 50 SER OG : rot -22:sc= 0.939 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -116:sc= 2.23 (180deg=0.931) USER MOD Single : A 80 LYS NZ :NH3+ -158:sc= 0.586 (180deg=0.000551) USER MOD Single : A 81 MET CE :methyl 153:sc= -1.25 (180deg=-2.31) USER MOD Single : A 85 LYS NZ :NH3+ -154:sc= 2.43 (180deg=1.6) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 160:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 6.661 6.690 5.820 1.00 0.00 N ATOM 2 CA GLY A -1 7.942 6.114 5.348 1.00 0.00 C ATOM 3 C GLY A -1 7.874 4.609 5.216 1.00 0.00 C ATOM 4 O GLY A -1 6.994 3.976 5.793 1.00 0.00 O ATOM 0 H1 GLY A -1 6.417 7.517 5.239 1.00 0.00 H new ATOM 0 H2 GLY A -1 5.909 5.976 5.739 1.00 0.00 H new ATOM 0 H3 GLY A -1 6.757 6.981 6.814 1.00 0.00 H new ATOM 0 HA2 GLY A -1 8.202 6.551 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.737 6.381 6.044 1.00 0.00 H new ATOM 10 N SER A 0 8.788 4.028 4.449 1.00 0.00 N ATOM 11 CA SER A 0 8.829 2.583 4.291 1.00 0.00 C ATOM 12 C SER A 0 9.555 1.965 5.480 1.00 0.00 C ATOM 13 O SER A 0 9.082 0.994 6.074 1.00 0.00 O ATOM 14 CB SER A 0 9.508 2.188 2.968 1.00 0.00 C ATOM 15 OG SER A 0 9.441 0.787 2.768 1.00 0.00 O ATOM 0 H SER A 0 9.506 4.533 3.930 1.00 0.00 H new ATOM 0 HA SER A 0 7.808 2.203 4.258 1.00 0.00 H new ATOM 0 HB2 SER A 0 9.024 2.702 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 0 10.550 2.509 2.978 1.00 0.00 H new ATOM 0 HG SER A 0 8.770 0.402 3.370 1.00 0.00 H new ATOM 21 N LEU A 1 10.713 2.538 5.801 1.00 0.00 N ATOM 22 CA LEU A 1 11.485 2.188 6.991 1.00 0.00 C ATOM 23 C LEU A 1 11.990 0.748 6.951 1.00 0.00 C ATOM 24 O LEU A 1 12.457 0.217 7.959 1.00 0.00 O ATOM 25 CB LEU A 1 10.658 2.426 8.259 1.00 0.00 C ATOM 26 CG LEU A 1 10.119 3.850 8.422 1.00 0.00 C ATOM 27 CD1 LEU A 1 9.225 3.943 9.648 1.00 0.00 C ATOM 28 CD2 LEU A 1 11.261 4.853 8.511 1.00 0.00 C ATOM 0 H LEU A 1 11.147 3.267 5.235 1.00 0.00 H new ATOM 0 HA LEU A 1 12.359 2.839 7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 1 9.817 1.733 8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.273 2.185 9.126 1.00 0.00 H new ATOM 0 HG LEU A 1 9.523 4.093 7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 1 8.851 4.962 9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.385 3.257 9.539 1.00 0.00 H new ATOM 0 HD13 LEU A 1 9.797 3.677 10.537 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.855 5.858 8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 1 11.889 4.615 9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.859 4.806 7.601 1.00 0.00 H new ATOM 40 N ILE A 2 11.915 0.124 5.787 1.00 0.00 N ATOM 41 CA ILE A 2 12.429 -1.222 5.622 1.00 0.00 C ATOM 42 C ILE A 2 13.606 -1.209 4.643 1.00 0.00 C ATOM 43 O ILE A 2 13.454 -1.366 3.430 1.00 0.00 O ATOM 44 CB ILE A 2 11.319 -2.216 5.182 1.00 0.00 C ATOM 45 CG1 ILE A 2 11.862 -3.644 5.149 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.709 -1.835 3.840 1.00 0.00 C ATOM 47 CD1 ILE A 2 12.281 -4.156 6.511 1.00 0.00 C ATOM 0 H ILE A 2 11.504 0.528 4.946 1.00 0.00 H new ATOM 0 HA ILE A 2 12.788 -1.577 6.588 1.00 0.00 H new ATOM 0 HB ILE A 2 10.520 -2.163 5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 2 11.100 -4.306 4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 2 12.717 -3.685 4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.938 -2.558 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.266 -0.841 3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.485 -1.833 3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 2 12.657 -5.175 6.417 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.065 -3.516 6.915 1.00 0.00 H new ATOM 0 HD13 ILE A 2 11.423 -4.147 7.183 1.00 0.00 H new ATOM 59 N LEU A 3 14.787 -0.984 5.183 1.00 0.00 N ATOM 60 CA LEU A 3 15.968 -0.779 4.362 1.00 0.00 C ATOM 61 C LEU A 3 17.104 -1.692 4.785 1.00 0.00 C ATOM 62 O LEU A 3 17.708 -2.348 3.937 1.00 0.00 O ATOM 63 CB LEU A 3 16.435 0.686 4.412 1.00 0.00 C ATOM 64 CG LEU A 3 16.828 1.239 5.792 1.00 0.00 C ATOM 65 CD1 LEU A 3 17.721 2.458 5.640 1.00 0.00 C ATOM 66 CD2 LEU A 3 15.598 1.579 6.625 1.00 0.00 C ATOM 0 H LEU A 3 14.957 -0.938 6.188 1.00 0.00 H new ATOM 0 HA LEU A 3 15.688 -1.024 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 3 17.291 0.793 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.638 1.311 4.009 1.00 0.00 H new ATOM 0 HG LEU A 3 17.382 0.462 6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 3 17.990 2.837 6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.626 2.181 5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.189 3.232 5.086 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.911 1.967 7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.004 2.332 6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 3 14.998 0.681 6.771 1.00 0.00 H new ATOM 78 N ASP A 4 17.372 -1.735 6.096 1.00 0.00 N ATOM 79 CA ASP A 4 18.546 -2.419 6.647 1.00 0.00 C ATOM 80 C ASP A 4 19.822 -1.708 6.208 1.00 0.00 C ATOM 81 O ASP A 4 20.555 -1.151 7.026 1.00 0.00 O ATOM 82 CB ASP A 4 18.588 -3.898 6.230 1.00 0.00 C ATOM 83 CG ASP A 4 17.660 -4.773 7.050 1.00 0.00 C ATOM 84 OD1 ASP A 4 18.103 -5.853 7.501 1.00 0.00 O ATOM 85 OD2 ASP A 4 16.487 -4.389 7.261 1.00 0.00 O ATOM 0 H ASP A 4 16.781 -1.297 6.803 1.00 0.00 H new ATOM 0 HA ASP A 4 18.473 -2.385 7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 4 18.319 -3.980 5.177 1.00 0.00 H new ATOM 0 HB3 ASP A 4 19.608 -4.268 6.328 1.00 0.00 H new ATOM 90 N GLY A 5 20.061 -1.718 4.911 1.00 0.00 N ATOM 91 CA GLY A 5 21.198 -1.043 4.332 1.00 0.00 C ATOM 92 C GLY A 5 21.215 -1.245 2.836 1.00 0.00 C ATOM 93 O GLY A 5 22.058 -1.980 2.318 1.00 0.00 O ATOM 0 H GLY A 5 19.469 -2.196 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 5 21.155 0.021 4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 5 22.120 -1.427 4.769 1.00 0.00 H new ATOM 97 N ASP A 6 20.265 -0.605 2.148 1.00 0.00 N ATOM 98 CA ASP A 6 20.039 -0.827 0.722 1.00 0.00 C ATOM 99 C ASP A 6 19.645 -2.279 0.465 1.00 0.00 C ATOM 100 O ASP A 6 20.498 -3.144 0.239 1.00 0.00 O ATOM 101 CB ASP A 6 21.261 -0.436 -0.118 1.00 0.00 C ATOM 102 CG ASP A 6 21.040 -0.656 -1.603 1.00 0.00 C ATOM 103 OD1 ASP A 6 20.197 0.052 -2.197 1.00 0.00 O ATOM 104 OD2 ASP A 6 21.720 -1.523 -2.190 1.00 0.00 O ATOM 0 H ASP A 6 19.634 0.079 2.565 1.00 0.00 H new ATOM 0 HA ASP A 6 19.217 -0.181 0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 6 21.499 0.613 0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 6 22.123 -1.018 0.208 1.00 0.00 H new ATOM 109 N LEU A 7 18.341 -2.531 0.565 1.00 0.00 N ATOM 110 CA LEU A 7 17.750 -3.846 0.309 1.00 0.00 C ATOM 111 C LEU A 7 17.995 -4.839 1.435 1.00 0.00 C ATOM 112 O LEU A 7 18.850 -4.645 2.297 1.00 0.00 O ATOM 113 CB LEU A 7 18.231 -4.439 -1.018 1.00 0.00 C ATOM 114 CG LEU A 7 17.395 -4.056 -2.233 1.00 0.00 C ATOM 115 CD1 LEU A 7 18.009 -4.635 -3.499 1.00 0.00 C ATOM 116 CD2 LEU A 7 15.964 -4.543 -2.056 1.00 0.00 C ATOM 0 H LEU A 7 17.657 -1.822 0.829 1.00 0.00 H new ATOM 0 HA LEU A 7 16.676 -3.672 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 7 19.260 -4.122 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 7 18.242 -5.525 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 7 17.381 -2.970 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.402 -4.354 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 7 19.019 -4.245 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 7 18.047 -5.722 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.374 -4.265 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.960 -5.627 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.532 -4.086 -1.166 1.00 0.00 H new ATOM 128 N LEU A 8 17.210 -5.908 1.398 1.00 0.00 N ATOM 129 CA LEU A 8 17.273 -6.979 2.380 1.00 0.00 C ATOM 130 C LEU A 8 16.766 -8.268 1.733 1.00 0.00 C ATOM 131 O LEU A 8 17.457 -9.282 1.725 1.00 0.00 O ATOM 132 CB LEU A 8 16.451 -6.628 3.636 1.00 0.00 C ATOM 133 CG LEU A 8 14.938 -6.424 3.439 1.00 0.00 C ATOM 134 CD1 LEU A 8 14.242 -6.421 4.788 1.00 0.00 C ATOM 135 CD2 LEU A 8 14.632 -5.127 2.692 1.00 0.00 C ATOM 0 H LEU A 8 16.504 -6.056 0.677 1.00 0.00 H new ATOM 0 HA LEU A 8 18.305 -7.116 2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.594 -7.422 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.863 -5.716 4.069 1.00 0.00 H new ATOM 0 HG LEU A 8 14.566 -7.250 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.171 -6.276 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.416 -7.373 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.639 -5.611 5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.554 -5.021 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.020 -4.281 3.259 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.104 -5.153 1.710 1.00 0.00 H new ATOM 147 N LYS A 9 15.545 -8.201 1.191 1.00 0.00 N ATOM 148 CA LYS A 9 14.990 -9.229 0.298 1.00 0.00 C ATOM 149 C LYS A 9 14.537 -10.500 1.023 1.00 0.00 C ATOM 150 O LYS A 9 13.390 -10.915 0.878 1.00 0.00 O ATOM 151 CB LYS A 9 15.991 -9.582 -0.809 1.00 0.00 C ATOM 152 CG LYS A 9 16.317 -8.408 -1.722 1.00 0.00 C ATOM 153 CD LYS A 9 17.351 -8.763 -2.785 1.00 0.00 C ATOM 154 CE LYS A 9 18.765 -8.853 -2.223 1.00 0.00 C ATOM 155 NZ LYS A 9 18.991 -10.090 -1.432 1.00 0.00 N ATOM 0 H LYS A 9 14.906 -7.424 1.361 1.00 0.00 H new ATOM 0 HA LYS A 9 14.094 -8.789 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.912 -9.946 -0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.587 -10.398 -1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.404 -8.066 -2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.689 -7.578 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.084 -9.716 -3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.326 -8.013 -3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.481 -8.816 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.957 -7.984 -1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.904 -10.511 -1.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.000 -9.857 -0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.228 -10.769 -1.624 1.00 0.00 H new ATOM 169 N ASP A 10 15.421 -11.110 1.800 1.00 0.00 N ATOM 170 CA ASP A 10 15.160 -12.443 2.347 1.00 0.00 C ATOM 171 C ASP A 10 14.469 -12.396 3.707 1.00 0.00 C ATOM 172 O ASP A 10 14.320 -13.432 4.357 1.00 0.00 O ATOM 173 CB ASP A 10 16.463 -13.234 2.474 1.00 0.00 C ATOM 174 CG ASP A 10 17.350 -12.722 3.590 1.00 0.00 C ATOM 175 OD1 ASP A 10 18.071 -11.727 3.372 1.00 0.00 O ATOM 176 OD2 ASP A 10 17.336 -13.313 4.691 1.00 0.00 O ATOM 0 H ASP A 10 16.321 -10.710 2.067 1.00 0.00 H new ATOM 0 HA ASP A 10 14.487 -12.937 1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.230 -14.284 2.653 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.007 -13.184 1.531 1.00 0.00 H new ATOM 181 N LYS A 11 14.049 -11.213 4.137 1.00 0.00 N ATOM 182 CA LYS A 11 13.380 -11.075 5.428 1.00 0.00 C ATOM 183 C LYS A 11 12.083 -11.880 5.454 1.00 0.00 C ATOM 184 O LYS A 11 11.991 -12.914 6.118 1.00 0.00 O ATOM 185 CB LYS A 11 13.067 -9.612 5.736 1.00 0.00 C ATOM 186 CG LYS A 11 12.379 -9.426 7.081 1.00 0.00 C ATOM 187 CD LYS A 11 11.731 -8.059 7.210 1.00 0.00 C ATOM 188 CE LYS A 11 10.669 -7.836 6.142 1.00 0.00 C ATOM 189 NZ LYS A 11 9.872 -6.612 6.412 1.00 0.00 N ATOM 0 H LYS A 11 14.157 -10.342 3.618 1.00 0.00 H new ATOM 0 HA LYS A 11 14.061 -11.459 6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.993 -9.037 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.431 -9.208 4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.621 -10.199 7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.107 -9.558 7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.280 -7.962 8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.495 -7.285 7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.146 -7.752 5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.007 -8.701 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.677 -6.120 5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 8.974 -6.876 6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.407 -5.982 7.044 1.00 0.00 H new ATOM 203 N LEU A 12 11.087 -11.397 4.732 1.00 0.00 N ATOM 204 CA LEU A 12 9.810 -12.074 4.652 1.00 0.00 C ATOM 205 C LEU A 12 9.635 -12.678 3.271 1.00 0.00 C ATOM 206 O LEU A 12 9.745 -11.989 2.260 1.00 0.00 O ATOM 207 CB LEU A 12 8.669 -11.113 4.993 1.00 0.00 C ATOM 208 CG LEU A 12 8.484 -10.842 6.487 1.00 0.00 C ATOM 209 CD1 LEU A 12 7.322 -9.889 6.715 1.00 0.00 C ATOM 210 CD2 LEU A 12 8.262 -12.144 7.242 1.00 0.00 C ATOM 0 H LEU A 12 11.141 -10.534 4.191 1.00 0.00 H new ATOM 0 HA LEU A 12 9.785 -12.882 5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.847 -10.165 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.739 -11.519 4.594 1.00 0.00 H new ATOM 0 HG LEU A 12 9.392 -10.375 6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.205 -9.707 7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.520 -8.946 6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.407 -10.330 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.132 -11.932 8.303 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.369 -12.639 6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.125 -12.796 7.105 1.00 0.00 H new ATOM 222 N LYS A 13 9.380 -13.971 3.238 1.00 0.00 N ATOM 223 CA LYS A 13 9.361 -14.724 1.994 1.00 0.00 C ATOM 224 C LYS A 13 8.193 -15.700 1.983 1.00 0.00 C ATOM 225 O LYS A 13 8.235 -16.750 1.335 1.00 0.00 O ATOM 226 CB LYS A 13 10.698 -15.459 1.837 1.00 0.00 C ATOM 227 CG LYS A 13 11.109 -16.236 3.079 1.00 0.00 C ATOM 228 CD LYS A 13 12.588 -16.590 3.065 1.00 0.00 C ATOM 229 CE LYS A 13 12.992 -17.301 4.347 1.00 0.00 C ATOM 230 NZ LYS A 13 14.457 -17.551 4.419 1.00 0.00 N ATOM 0 H LYS A 13 9.181 -14.530 4.068 1.00 0.00 H new ATOM 0 HA LYS A 13 9.228 -14.044 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.630 -16.146 0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.476 -14.735 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.886 -15.645 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.518 -17.149 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.805 -17.228 2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.181 -15.683 2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.686 -16.701 5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.460 -18.250 4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.683 -18.037 5.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.748 -18.146 3.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.966 -16.645 4.380 1.00 0.00 H new ATOM 244 N LEU A 14 7.140 -15.324 2.684 1.00 0.00 N ATOM 245 CA LEU A 14 5.966 -16.167 2.825 1.00 0.00 C ATOM 246 C LEU A 14 4.850 -15.687 1.900 1.00 0.00 C ATOM 247 O LEU A 14 4.690 -14.484 1.682 1.00 0.00 O ATOM 248 CB LEU A 14 5.496 -16.150 4.281 1.00 0.00 C ATOM 249 CG LEU A 14 4.757 -14.887 4.710 1.00 0.00 C ATOM 250 CD1 LEU A 14 3.305 -15.217 4.996 1.00 0.00 C ATOM 251 CD2 LEU A 14 5.423 -14.265 5.921 1.00 0.00 C ATOM 0 H LEU A 14 7.073 -14.430 3.170 1.00 0.00 H new ATOM 0 HA LEU A 14 6.225 -17.188 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.843 -17.007 4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.364 -16.281 4.928 1.00 0.00 H new ATOM 0 HG LEU A 14 4.795 -14.158 3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.780 -14.312 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.839 -15.620 4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.250 -15.956 5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.881 -13.365 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.414 -14.977 6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.453 -14.005 5.677 1.00 0.00 H new ATOM 263 N PRO A 15 4.082 -16.624 1.322 1.00 0.00 N ATOM 264 CA PRO A 15 2.924 -16.299 0.482 1.00 0.00 C ATOM 265 C PRO A 15 1.821 -15.613 1.282 1.00 0.00 C ATOM 266 O PRO A 15 1.426 -16.106 2.336 1.00 0.00 O ATOM 267 CB PRO A 15 2.447 -17.668 -0.022 1.00 0.00 C ATOM 268 CG PRO A 15 3.599 -18.578 0.191 1.00 0.00 C ATOM 269 CD PRO A 15 4.287 -18.076 1.418 1.00 0.00 C ATOM 0 HA PRO A 15 3.179 -15.606 -0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.569 -18.007 0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.167 -17.625 -1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.266 -19.608 0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.271 -18.567 -0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.850 -18.489 2.327 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.345 -18.337 1.426 1.00 0.00 H new ATOM 277 N VAL A 16 1.342 -14.485 0.748 1.00 0.00 N ATOM 278 CA VAL A 16 0.321 -13.627 1.372 1.00 0.00 C ATOM 279 C VAL A 16 0.483 -13.464 2.885 1.00 0.00 C ATOM 280 O VAL A 16 0.092 -14.300 3.703 1.00 0.00 O ATOM 281 CB VAL A 16 -1.126 -14.023 0.996 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.469 -15.435 1.434 1.00 0.00 C ATOM 283 CG2 VAL A 16 -2.126 -13.012 1.552 1.00 0.00 C ATOM 0 H VAL A 16 1.660 -14.131 -0.154 1.00 0.00 H new ATOM 0 HA VAL A 16 0.504 -12.643 0.940 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.192 -14.008 -0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.495 -15.666 1.147 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.791 -16.140 0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.368 -15.515 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.137 -13.311 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.042 -12.977 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.913 -12.026 1.140 1.00 0.00 H new ATOM 293 N ILE A 17 1.074 -12.344 3.218 1.00 0.00 N ATOM 294 CA ILE A 17 1.286 -11.916 4.584 1.00 0.00 C ATOM 295 C ILE A 17 -0.015 -11.310 5.114 1.00 0.00 C ATOM 296 O ILE A 17 -0.875 -10.915 4.322 1.00 0.00 O ATOM 297 CB ILE A 17 2.430 -10.873 4.625 1.00 0.00 C ATOM 298 CG1 ILE A 17 3.625 -11.366 3.803 1.00 0.00 C ATOM 299 CG2 ILE A 17 2.872 -10.597 6.045 1.00 0.00 C ATOM 300 CD1 ILE A 17 4.765 -10.374 3.719 1.00 0.00 C ATOM 0 H ILE A 17 1.432 -11.683 2.528 1.00 0.00 H new ATOM 0 HA ILE A 17 1.569 -12.763 5.209 1.00 0.00 H new ATOM 0 HB ILE A 17 2.050 -9.946 4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.995 -12.294 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.287 -11.601 2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.676 -9.861 6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.030 -10.210 6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.229 -11.520 6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.572 -10.797 3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.413 -9.453 3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.132 -10.156 4.722 1.00 0.00 H new ATOM 312 N ASP A 18 -0.167 -11.230 6.433 1.00 0.00 N ATOM 313 CA ASP A 18 -1.434 -10.802 7.024 1.00 0.00 C ATOM 314 C ASP A 18 -1.731 -9.340 6.693 1.00 0.00 C ATOM 315 O ASP A 18 -0.823 -8.564 6.382 1.00 0.00 O ATOM 316 CB ASP A 18 -1.426 -11.009 8.543 1.00 0.00 C ATOM 317 CG ASP A 18 -2.778 -10.725 9.172 1.00 0.00 C ATOM 318 OD1 ASP A 18 -2.957 -9.630 9.738 1.00 0.00 O ATOM 319 OD2 ASP A 18 -3.670 -11.597 9.095 1.00 0.00 O ATOM 0 H ASP A 18 0.564 -11.453 7.109 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.223 -11.418 6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.133 -12.035 8.766 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.675 -10.358 8.992 1.00 0.00 H new ATOM 324 N ASN A 19 -3.007 -8.974 6.757 1.00 0.00 N ATOM 325 CA ASN A 19 -3.433 -7.614 6.441 1.00 0.00 C ATOM 326 C ASN A 19 -2.871 -6.614 7.444 1.00 0.00 C ATOM 327 O ASN A 19 -2.794 -5.429 7.155 1.00 0.00 O ATOM 328 CB ASN A 19 -4.965 -7.506 6.399 1.00 0.00 C ATOM 329 CG ASN A 19 -5.624 -7.793 7.735 1.00 0.00 C ATOM 330 OD1 ASN A 19 -5.789 -6.902 8.571 1.00 0.00 O ATOM 331 ND2 ASN A 19 -6.025 -9.036 7.940 1.00 0.00 N ATOM 0 H ASN A 19 -3.766 -9.601 7.025 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.041 -7.375 5.453 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.243 -6.504 6.073 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.351 -8.202 5.654 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.489 -9.285 8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.871 -9.746 7.224 1.00 0.00 H new ATOM 338 N LEU A 20 -2.470 -7.097 8.615 1.00 0.00 N ATOM 339 CA LEU A 20 -1.882 -6.243 9.632 1.00 0.00 C ATOM 340 C LEU A 20 -0.543 -5.682 9.160 1.00 0.00 C ATOM 341 O LEU A 20 -0.261 -4.495 9.327 1.00 0.00 O ATOM 342 CB LEU A 20 -1.699 -7.030 10.929 1.00 0.00 C ATOM 343 CG LEU A 20 -0.867 -6.329 11.996 1.00 0.00 C ATOM 344 CD1 LEU A 20 -1.536 -5.036 12.441 1.00 0.00 C ATOM 345 CD2 LEU A 20 -0.631 -7.259 13.175 1.00 0.00 C ATOM 0 H LEU A 20 -2.543 -8.079 8.881 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.556 -5.406 9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.682 -7.251 11.344 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.230 -7.985 10.694 1.00 0.00 H new ATOM 0 HG LEU A 20 0.101 -6.070 11.567 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.924 -4.553 13.203 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.644 -4.369 11.586 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.520 -5.259 12.854 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.035 -6.746 13.930 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.589 -7.551 13.605 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.099 -8.148 12.836 1.00 0.00 H new ATOM 357 N PHE A 21 0.275 -6.538 8.560 1.00 0.00 N ATOM 358 CA PHE A 21 1.576 -6.120 8.057 1.00 0.00 C ATOM 359 C PHE A 21 1.408 -5.097 6.938 1.00 0.00 C ATOM 360 O PHE A 21 2.157 -4.121 6.852 1.00 0.00 O ATOM 361 CB PHE A 21 2.369 -7.330 7.562 1.00 0.00 C ATOM 362 CG PHE A 21 3.764 -6.991 7.131 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.729 -6.654 8.068 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.112 -7.004 5.792 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.012 -6.337 7.675 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.394 -6.688 5.395 1.00 0.00 C ATOM 367 CZ PHE A 21 6.346 -6.354 6.336 1.00 0.00 C ATOM 0 H PHE A 21 0.060 -7.524 8.410 1.00 0.00 H new ATOM 0 HA PHE A 21 2.131 -5.654 8.871 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.413 -8.076 8.356 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.839 -7.785 6.726 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.473 -6.640 9.117 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.372 -7.264 5.050 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.755 -6.076 8.414 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.653 -6.702 4.347 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.350 -6.106 6.026 1.00 0.00 H new ATOM 377 N GLY A 22 0.408 -5.316 6.097 1.00 0.00 N ATOM 378 CA GLY A 22 0.116 -4.371 5.043 1.00 0.00 C ATOM 379 C GLY A 22 -0.490 -3.103 5.600 1.00 0.00 C ATOM 380 O GLY A 22 -0.273 -2.010 5.073 1.00 0.00 O ATOM 0 H GLY A 22 -0.205 -6.131 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.031 -4.133 4.501 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.571 -4.822 4.327 1.00 0.00 H new ATOM 384 N LYS A 23 -1.252 -3.262 6.677 1.00 0.00 N ATOM 385 CA LYS A 23 -1.888 -2.146 7.356 1.00 0.00 C ATOM 386 C LYS A 23 -0.822 -1.214 7.897 1.00 0.00 C ATOM 387 O LYS A 23 -0.951 0.000 7.829 1.00 0.00 O ATOM 388 CB LYS A 23 -2.753 -2.659 8.509 1.00 0.00 C ATOM 389 CG LYS A 23 -4.040 -1.876 8.716 1.00 0.00 C ATOM 390 CD LYS A 23 -5.036 -2.103 7.589 1.00 0.00 C ATOM 391 CE LYS A 23 -6.354 -1.397 7.870 1.00 0.00 C ATOM 392 NZ LYS A 23 -7.383 -1.691 6.837 1.00 0.00 N ATOM 0 H LYS A 23 -1.444 -4.169 7.101 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.521 -1.609 6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.002 -3.704 8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.169 -2.627 9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.493 -2.168 9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.810 -0.813 8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.617 -1.738 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.212 -3.172 7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.726 -1.703 8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.185 -0.321 7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.121 -0.959 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.938 -1.700 5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.810 -2.620 7.027 1.00 0.00 H new ATOM 406 N GLU A 24 0.228 -1.816 8.432 1.00 0.00 N ATOM 407 CA GLU A 24 1.389 -1.107 8.905 1.00 0.00 C ATOM 408 C GLU A 24 2.030 -0.298 7.787 1.00 0.00 C ATOM 409 O GLU A 24 2.278 0.895 7.941 1.00 0.00 O ATOM 410 CB GLU A 24 2.363 -2.130 9.451 1.00 0.00 C ATOM 411 CG GLU A 24 2.302 -2.264 10.952 1.00 0.00 C ATOM 412 CD GLU A 24 2.920 -1.081 11.666 1.00 0.00 C ATOM 413 OE1 GLU A 24 4.152 -1.086 11.870 1.00 0.00 O ATOM 414 OE2 GLU A 24 2.187 -0.137 12.021 1.00 0.00 O ATOM 0 H GLU A 24 0.291 -2.827 8.548 1.00 0.00 H new ATOM 0 HA GLU A 24 1.102 -0.401 9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.155 -3.099 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.375 -1.851 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.262 -2.369 11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.818 -3.176 11.253 1.00 0.00 H new ATOM 421 N LEU A 25 2.291 -0.960 6.665 1.00 0.00 N ATOM 422 CA LEU A 25 2.819 -0.298 5.475 1.00 0.00 C ATOM 423 C LEU A 25 1.968 0.910 5.108 1.00 0.00 C ATOM 424 O LEU A 25 2.432 2.050 5.143 1.00 0.00 O ATOM 425 CB LEU A 25 2.829 -1.268 4.301 1.00 0.00 C ATOM 426 CG LEU A 25 3.768 -2.460 4.435 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.483 -3.469 3.339 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.215 -1.998 4.377 1.00 0.00 C ATOM 0 H LEU A 25 2.144 -1.963 6.554 1.00 0.00 H new ATOM 0 HA LEU A 25 3.835 0.032 5.694 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.816 -1.642 4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.099 -0.716 3.400 1.00 0.00 H new ATOM 0 HG LEU A 25 3.600 -2.939 5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.158 -4.318 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.452 -3.813 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.633 -3.001 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.876 -2.859 4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.401 -1.503 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.407 -1.300 5.192 1.00 0.00 H new ATOM 440 N LEU A 26 0.720 0.640 4.756 1.00 0.00 N ATOM 441 CA LEU A 26 -0.232 1.661 4.395 1.00 0.00 C ATOM 442 C LEU A 26 -0.404 2.720 5.481 1.00 0.00 C ATOM 443 O LEU A 26 -0.682 3.870 5.174 1.00 0.00 O ATOM 444 CB LEU A 26 -1.556 0.988 4.074 1.00 0.00 C ATOM 445 CG LEU A 26 -1.610 0.366 2.684 1.00 0.00 C ATOM 446 CD1 LEU A 26 -2.684 -0.705 2.599 1.00 0.00 C ATOM 447 CD2 LEU A 26 -1.823 1.435 1.661 1.00 0.00 C ATOM 0 H LEU A 26 0.343 -0.307 4.715 1.00 0.00 H new ATOM 0 HA LEU A 26 0.145 2.193 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.748 0.213 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.357 1.722 4.165 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.657 -0.124 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.697 -1.129 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.471 -1.492 3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.656 -0.264 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.861 0.986 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.762 1.950 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.001 2.150 1.705 1.00 0.00 H new ATOM 459 N ASP A 27 -0.258 2.341 6.742 1.00 0.00 N ATOM 460 CA ASP A 27 -0.318 3.311 7.838 1.00 0.00 C ATOM 461 C ASP A 27 0.848 4.288 7.750 1.00 0.00 C ATOM 462 O ASP A 27 0.671 5.503 7.870 1.00 0.00 O ATOM 463 CB ASP A 27 -0.294 2.610 9.198 1.00 0.00 C ATOM 464 CG ASP A 27 -0.196 3.589 10.350 1.00 0.00 C ATOM 465 OD1 ASP A 27 -1.228 4.185 10.722 1.00 0.00 O ATOM 466 OD2 ASP A 27 0.920 3.764 10.890 1.00 0.00 O ATOM 0 H ASP A 27 -0.098 1.377 7.036 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.256 3.858 7.743 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.197 2.010 9.310 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.552 1.923 9.235 1.00 0.00 H new ATOM 471 N LYS A 28 2.037 3.752 7.519 1.00 0.00 N ATOM 472 CA LYS A 28 3.246 4.562 7.430 1.00 0.00 C ATOM 473 C LYS A 28 3.220 5.447 6.187 1.00 0.00 C ATOM 474 O LYS A 28 3.784 6.541 6.178 1.00 0.00 O ATOM 475 CB LYS A 28 4.485 3.666 7.406 1.00 0.00 C ATOM 476 CG LYS A 28 4.566 2.702 8.574 1.00 0.00 C ATOM 477 CD LYS A 28 5.783 1.799 8.475 1.00 0.00 C ATOM 478 CE LYS A 28 5.660 0.595 9.397 1.00 0.00 C ATOM 479 NZ LYS A 28 5.482 0.982 10.821 1.00 0.00 N ATOM 0 H LYS A 28 2.192 2.752 7.389 1.00 0.00 H new ATOM 0 HA LYS A 28 3.287 5.204 8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.493 3.097 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.376 4.294 7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.605 3.264 9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.663 2.093 8.606 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.903 1.460 7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.679 2.365 8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.813 -0.015 9.081 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.552 -0.024 9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.319 0.130 11.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.337 1.468 11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.665 1.620 10.908 1.00 0.00 H new ATOM 493 N PHE A 29 2.565 4.972 5.135 1.00 0.00 N ATOM 494 CA PHE A 29 2.478 5.724 3.888 1.00 0.00 C ATOM 495 C PHE A 29 1.159 6.455 3.759 1.00 0.00 C ATOM 496 O PHE A 29 0.920 7.107 2.752 1.00 0.00 O ATOM 497 CB PHE A 29 2.640 4.807 2.684 1.00 0.00 C ATOM 498 CG PHE A 29 4.028 4.313 2.495 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.437 3.131 3.072 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.921 5.034 1.730 1.00 0.00 C ATOM 501 CE1 PHE A 29 5.720 2.671 2.887 1.00 0.00 C ATOM 502 CE2 PHE A 29 6.204 4.584 1.542 1.00 0.00 C ATOM 503 CZ PHE A 29 6.604 3.401 2.120 1.00 0.00 C ATOM 0 H PHE A 29 2.087 4.071 5.120 1.00 0.00 H new ATOM 0 HA PHE A 29 3.288 6.453 3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.972 3.953 2.796 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.328 5.341 1.786 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.745 2.561 3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.608 5.962 1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.034 1.742 3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.897 5.156 0.943 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.612 3.043 1.973 1.00 0.00 H new ATOM 513 N GLN A 30 0.307 6.340 4.764 1.00 0.00 N ATOM 514 CA GLN A 30 -1.003 6.940 4.727 1.00 0.00 C ATOM 515 C GLN A 30 -0.916 8.424 4.414 1.00 0.00 C ATOM 516 O GLN A 30 -1.713 8.948 3.648 1.00 0.00 O ATOM 517 CB GLN A 30 -1.694 6.722 6.061 1.00 0.00 C ATOM 518 CG GLN A 30 -3.095 7.223 6.069 1.00 0.00 C ATOM 519 CD GLN A 30 -3.816 6.967 7.374 1.00 0.00 C ATOM 520 OE1 GLN A 30 -3.547 5.988 8.067 1.00 0.00 O ATOM 521 NE2 GLN A 30 -4.739 7.847 7.721 1.00 0.00 N ATOM 0 H GLN A 30 0.509 5.828 5.623 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.583 6.467 3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.691 5.658 6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.128 7.224 6.845 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.091 8.294 5.868 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.647 6.749 5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.933 8.647 7.119 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.257 7.726 8.591 1.00 0.00 H new ATOM 530 N ASP A 31 0.075 9.083 4.988 1.00 0.00 N ATOM 531 CA ASP A 31 0.269 10.510 4.775 1.00 0.00 C ATOM 532 C ASP A 31 0.630 10.802 3.320 1.00 0.00 C ATOM 533 O ASP A 31 0.194 11.800 2.748 1.00 0.00 O ATOM 534 CB ASP A 31 1.368 11.031 5.699 1.00 0.00 C ATOM 535 CG ASP A 31 1.518 12.534 5.629 1.00 0.00 C ATOM 536 OD1 ASP A 31 0.541 13.242 5.951 1.00 0.00 O ATOM 537 OD2 ASP A 31 2.616 13.013 5.275 1.00 0.00 O ATOM 0 H ASP A 31 0.761 8.653 5.608 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.667 11.020 5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.145 10.739 6.725 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.315 10.562 5.433 1.00 0.00 H new ATOM 542 N ASP A 32 1.398 9.902 2.719 1.00 0.00 N ATOM 543 CA ASP A 32 1.861 10.075 1.346 1.00 0.00 C ATOM 544 C ASP A 32 0.758 9.672 0.371 1.00 0.00 C ATOM 545 O ASP A 32 0.516 10.339 -0.631 1.00 0.00 O ATOM 546 CB ASP A 32 3.117 9.238 1.112 1.00 0.00 C ATOM 547 CG ASP A 32 3.838 9.589 -0.176 1.00 0.00 C ATOM 548 OD1 ASP A 32 3.548 8.965 -1.213 1.00 0.00 O ATOM 549 OD2 ASP A 32 4.716 10.485 -0.144 1.00 0.00 O ATOM 0 H ASP A 32 1.715 9.040 3.163 1.00 0.00 H new ATOM 0 HA ASP A 32 2.106 11.124 1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.799 9.375 1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.844 8.183 1.092 1.00 0.00 H new ATOM 554 N ILE A 33 0.068 8.590 0.702 1.00 0.00 N ATOM 555 CA ILE A 33 -1.060 8.110 -0.087 1.00 0.00 C ATOM 556 C ILE A 33 -2.223 9.100 -0.012 1.00 0.00 C ATOM 557 O ILE A 33 -2.997 9.256 -0.957 1.00 0.00 O ATOM 558 CB ILE A 33 -1.514 6.713 0.410 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.379 5.702 0.224 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.762 6.249 -0.331 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.566 4.409 0.995 1.00 0.00 C ATOM 0 H ILE A 33 0.273 8.020 1.523 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.741 8.024 -1.126 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.759 6.786 1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.285 5.469 -0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.559 6.164 0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.059 5.267 0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.571 6.960 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.550 6.188 -1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.281 3.749 0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.628 4.627 2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.485 3.921 0.670 1.00 0.00 H new ATOM 573 N LYS A 34 -2.320 9.795 1.107 1.00 0.00 N ATOM 574 CA LYS A 34 -3.367 10.780 1.303 1.00 0.00 C ATOM 575 C LYS A 34 -2.954 12.099 0.674 1.00 0.00 C ATOM 576 O LYS A 34 -3.785 12.934 0.331 1.00 0.00 O ATOM 577 CB LYS A 34 -3.647 10.951 2.789 1.00 0.00 C ATOM 578 CG LYS A 34 -4.926 11.708 3.089 1.00 0.00 C ATOM 579 CD LYS A 34 -5.145 11.875 4.584 1.00 0.00 C ATOM 580 CE LYS A 34 -6.558 12.347 4.884 1.00 0.00 C ATOM 581 NZ LYS A 34 -7.571 11.326 4.499 1.00 0.00 N ATOM 0 H LYS A 34 -1.683 9.694 1.897 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.283 10.438 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.701 9.967 3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.809 11.475 3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.888 12.689 2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.773 11.177 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.961 10.927 5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.427 12.593 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.650 12.569 5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.754 13.275 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.455 11.501 5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.752 11.385 3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.214 10.378 4.733 1.00 0.00 H new ATOM 595 N ASP A 35 -1.658 12.280 0.533 1.00 0.00 N ATOM 596 CA ASP A 35 -1.128 13.399 -0.226 1.00 0.00 C ATOM 597 C ASP A 35 -1.400 13.207 -1.711 1.00 0.00 C ATOM 598 O ASP A 35 -1.848 14.123 -2.403 1.00 0.00 O ATOM 599 CB ASP A 35 0.374 13.537 0.000 1.00 0.00 C ATOM 600 CG ASP A 35 1.000 14.580 -0.907 1.00 0.00 C ATOM 601 OD1 ASP A 35 1.475 14.217 -2.004 1.00 0.00 O ATOM 602 OD2 ASP A 35 1.012 15.771 -0.535 1.00 0.00 O ATOM 0 H ASP A 35 -0.949 11.667 0.934 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.625 14.307 0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.559 13.805 1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.855 12.574 -0.172 1.00 0.00 H new ATOM 607 N LYS A 36 -1.136 11.999 -2.189 1.00 0.00 N ATOM 608 CA LYS A 36 -1.219 11.698 -3.609 1.00 0.00 C ATOM 609 C LYS A 36 -2.643 11.404 -4.071 1.00 0.00 C ATOM 610 O LYS A 36 -2.971 11.612 -5.237 1.00 0.00 O ATOM 611 CB LYS A 36 -0.301 10.535 -3.948 1.00 0.00 C ATOM 612 CG LYS A 36 1.152 10.845 -3.678 1.00 0.00 C ATOM 613 CD LYS A 36 2.056 9.899 -4.414 1.00 0.00 C ATOM 614 CE LYS A 36 3.507 10.087 -4.004 1.00 0.00 C ATOM 615 NZ LYS A 36 3.927 11.511 -4.090 1.00 0.00 N ATOM 0 H LYS A 36 -0.861 11.207 -1.608 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.895 12.590 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.597 9.662 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.424 10.274 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.370 11.869 -3.980 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.347 10.780 -2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.750 8.872 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.956 10.059 -5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.645 9.729 -2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.147 9.480 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.965 11.570 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.589 11.919 -4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.522 12.041 -3.292 1.00 0.00 H new ATOM 629 N TYR A 37 -3.487 10.917 -3.169 1.00 0.00 N ATOM 630 CA TYR A 37 -4.855 10.548 -3.538 1.00 0.00 C ATOM 631 C TYR A 37 -5.867 11.081 -2.529 1.00 0.00 C ATOM 632 O TYR A 37 -6.993 11.428 -2.883 1.00 0.00 O ATOM 633 CB TYR A 37 -4.985 9.027 -3.630 1.00 0.00 C ATOM 634 CG TYR A 37 -3.930 8.373 -4.486 1.00 0.00 C ATOM 635 CD1 TYR A 37 -4.059 8.312 -5.865 1.00 0.00 C ATOM 636 CD2 TYR A 37 -2.796 7.824 -3.906 1.00 0.00 C ATOM 637 CE1 TYR A 37 -3.085 7.720 -6.644 1.00 0.00 C ATOM 638 CE2 TYR A 37 -1.820 7.231 -4.675 1.00 0.00 C ATOM 639 CZ TYR A 37 -1.967 7.181 -6.045 1.00 0.00 C ATOM 640 OH TYR A 37 -0.993 6.594 -6.818 1.00 0.00 O ATOM 0 H TYR A 37 -3.255 10.768 -2.187 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.066 10.995 -4.509 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.935 8.607 -2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.968 8.780 -4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.934 8.734 -6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.677 7.862 -2.833 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.199 7.679 -7.717 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.944 6.807 -4.207 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.422 7.288 -7.207 1.00 0.00 H new ATOM 650 N GLY A 38 -5.464 11.133 -1.270 1.00 0.00 N ATOM 651 CA GLY A 38 -6.365 11.586 -0.224 1.00 0.00 C ATOM 652 C GLY A 38 -7.032 10.436 0.502 1.00 0.00 C ATOM 653 O GLY A 38 -8.055 10.617 1.165 1.00 0.00 O ATOM 0 H GLY A 38 -4.531 10.871 -0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.810 12.191 0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.129 12.229 -0.660 1.00 0.00 H new ATOM 657 N VAL A 39 -6.430 9.261 0.394 1.00 0.00 N ATOM 658 CA VAL A 39 -6.999 8.031 0.929 1.00 0.00 C ATOM 659 C VAL A 39 -6.719 7.876 2.422 1.00 0.00 C ATOM 660 O VAL A 39 -5.744 8.414 2.946 1.00 0.00 O ATOM 661 CB VAL A 39 -6.398 6.816 0.199 1.00 0.00 C ATOM 662 CG1 VAL A 39 -7.056 5.517 0.633 1.00 0.00 C ATOM 663 CG2 VAL A 39 -6.510 6.984 -1.306 1.00 0.00 C ATOM 0 H VAL A 39 -5.530 9.132 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.077 8.083 0.776 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.344 6.763 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.604 4.683 0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.914 5.377 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.122 5.557 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.079 6.114 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.560 7.078 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.972 7.881 -1.613 1.00 0.00 H new ATOM 673 N ASP A 40 -7.596 7.148 3.091 1.00 0.00 N ATOM 674 CA ASP A 40 -7.366 6.715 4.458 1.00 0.00 C ATOM 675 C ASP A 40 -7.094 5.214 4.462 1.00 0.00 C ATOM 676 O ASP A 40 -8.000 4.405 4.256 1.00 0.00 O ATOM 677 CB ASP A 40 -8.575 7.038 5.337 1.00 0.00 C ATOM 678 CG ASP A 40 -8.396 6.569 6.766 1.00 0.00 C ATOM 679 OD1 ASP A 40 -7.704 7.262 7.541 1.00 0.00 O ATOM 680 OD2 ASP A 40 -8.953 5.512 7.123 1.00 0.00 O ATOM 0 H ASP A 40 -8.487 6.841 2.702 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.505 7.245 4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.748 8.114 5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.464 6.570 4.913 1.00 0.00 H new ATOM 685 N THR A 41 -5.840 4.846 4.685 1.00 0.00 N ATOM 686 CA THR A 41 -5.411 3.460 4.556 1.00 0.00 C ATOM 687 C THR A 41 -5.998 2.575 5.649 1.00 0.00 C ATOM 688 O THR A 41 -6.012 1.347 5.531 1.00 0.00 O ATOM 689 CB THR A 41 -3.884 3.360 4.592 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.388 4.006 5.768 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.271 4.006 3.362 1.00 0.00 C ATOM 0 H THR A 41 -5.099 5.491 4.957 1.00 0.00 H new ATOM 0 HA THR A 41 -5.780 3.105 3.594 1.00 0.00 H new ATOM 0 HB THR A 41 -3.607 2.306 4.605 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.408 3.991 5.761 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.185 3.923 3.410 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.634 3.502 2.467 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.553 5.058 3.325 1.00 0.00 H new ATOM 699 N LYS A 42 -6.499 3.207 6.697 1.00 0.00 N ATOM 700 CA LYS A 42 -7.099 2.506 7.811 1.00 0.00 C ATOM 701 C LYS A 42 -8.353 1.748 7.366 1.00 0.00 C ATOM 702 O LYS A 42 -8.754 0.771 7.999 1.00 0.00 O ATOM 703 CB LYS A 42 -7.433 3.520 8.907 1.00 0.00 C ATOM 704 CG LYS A 42 -8.010 2.907 10.162 1.00 0.00 C ATOM 705 CD LYS A 42 -8.340 3.957 11.221 1.00 0.00 C ATOM 706 CE LYS A 42 -9.546 4.818 10.844 1.00 0.00 C ATOM 707 NZ LYS A 42 -9.235 5.824 9.792 1.00 0.00 N ATOM 0 H LYS A 42 -6.499 4.222 6.796 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.396 1.769 8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.528 4.069 9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.143 4.246 8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.914 2.352 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.299 2.190 10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.537 3.460 12.171 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.473 4.600 11.372 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.352 4.172 10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.912 5.331 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.754 6.704 9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.213 6.018 9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.520 5.454 8.863 1.00 0.00 H new ATOM 721 N ASP A 43 -8.937 2.172 6.249 1.00 0.00 N ATOM 722 CA ASP A 43 -10.180 1.581 5.764 1.00 0.00 C ATOM 723 C ASP A 43 -9.920 0.674 4.567 1.00 0.00 C ATOM 724 O ASP A 43 -10.813 -0.031 4.097 1.00 0.00 O ATOM 725 CB ASP A 43 -11.174 2.681 5.383 1.00 0.00 C ATOM 726 CG ASP A 43 -12.510 2.136 4.921 1.00 0.00 C ATOM 727 OD1 ASP A 43 -12.876 2.356 3.748 1.00 0.00 O ATOM 728 OD2 ASP A 43 -13.203 1.482 5.726 1.00 0.00 O ATOM 0 H ASP A 43 -8.570 2.922 5.663 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.606 0.977 6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.331 3.334 6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.744 3.294 4.591 1.00 0.00 H new ATOM 733 N LEU A 44 -8.691 0.685 4.078 1.00 0.00 N ATOM 734 CA LEU A 44 -8.333 -0.130 2.927 1.00 0.00 C ATOM 735 C LEU A 44 -8.397 -1.611 3.271 1.00 0.00 C ATOM 736 O LEU A 44 -7.666 -2.090 4.141 1.00 0.00 O ATOM 737 CB LEU A 44 -6.940 0.232 2.420 1.00 0.00 C ATOM 738 CG LEU A 44 -6.818 1.618 1.787 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.388 1.865 1.337 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.781 1.758 0.617 1.00 0.00 C ATOM 0 H LEU A 44 -7.928 1.246 4.457 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.055 0.073 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.240 0.167 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.633 -0.513 1.686 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.080 2.367 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.314 2.855 0.888 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.721 1.806 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.102 1.111 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.680 2.751 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.551 1.004 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.803 1.619 0.969 1.00 0.00 H new ATOM 752 N LYS A 45 -9.286 -2.318 2.592 1.00 0.00 N ATOM 753 CA LYS A 45 -9.476 -3.735 2.798 1.00 0.00 C ATOM 754 C LYS A 45 -8.328 -4.511 2.177 1.00 0.00 C ATOM 755 O LYS A 45 -8.320 -4.766 0.976 1.00 0.00 O ATOM 756 CB LYS A 45 -10.798 -4.151 2.166 1.00 0.00 C ATOM 757 CG LYS A 45 -11.128 -5.615 2.330 1.00 0.00 C ATOM 758 CD LYS A 45 -12.410 -5.966 1.599 1.00 0.00 C ATOM 759 CE LYS A 45 -12.706 -7.454 1.655 1.00 0.00 C ATOM 760 NZ LYS A 45 -13.939 -7.795 0.900 1.00 0.00 N ATOM 0 H LYS A 45 -9.897 -1.918 1.880 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.498 -3.952 3.866 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.600 -3.558 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.770 -3.913 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.308 -6.222 1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.232 -5.852 3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.241 -5.414 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.332 -5.650 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.862 -8.009 1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.817 -7.765 2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.111 -8.819 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.748 -7.284 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.823 -7.521 -0.097 1.00 0.00 H new ATOM 774 N ILE A 46 -7.352 -4.869 2.986 1.00 0.00 N ATOM 775 CA ILE A 46 -6.170 -5.530 2.478 1.00 0.00 C ATOM 776 C ILE A 46 -6.446 -6.993 2.181 1.00 0.00 C ATOM 777 O ILE A 46 -6.862 -7.761 3.049 1.00 0.00 O ATOM 778 CB ILE A 46 -4.982 -5.394 3.438 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.696 -3.908 3.675 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.761 -6.103 2.866 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.514 -3.641 4.567 1.00 0.00 C ATOM 0 H ILE A 46 -7.354 -4.714 3.994 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.903 -5.032 1.546 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.223 -5.863 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.527 -3.424 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.580 -3.445 4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.924 -6.000 3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.987 -7.160 2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.498 -5.657 1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.381 -2.565 4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.686 -4.093 5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.617 -4.071 4.121 1.00 0.00 H new ATOM 793 N LEU A 47 -6.217 -7.355 0.935 1.00 0.00 N ATOM 794 CA LEU A 47 -6.505 -8.685 0.441 1.00 0.00 C ATOM 795 C LEU A 47 -5.266 -9.562 0.529 1.00 0.00 C ATOM 796 O LEU A 47 -5.308 -10.676 1.054 1.00 0.00 O ATOM 797 CB LEU A 47 -6.950 -8.596 -1.018 1.00 0.00 C ATOM 798 CG LEU A 47 -7.899 -7.440 -1.342 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.205 -7.406 -2.830 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.188 -7.562 -0.541 1.00 0.00 C ATOM 0 H LEU A 47 -5.823 -6.730 0.232 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.296 -9.123 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.064 -8.504 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.438 -9.532 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.408 -6.507 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.881 -6.578 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.279 -7.272 -3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.675 -8.344 -3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.849 -6.730 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.682 -8.502 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.958 -7.541 0.524 1.00 0.00 H new ATOM 812 N LYS A 48 -4.162 -9.043 0.015 1.00 0.00 N ATOM 813 CA LYS A 48 -2.939 -9.807 -0.104 1.00 0.00 C ATOM 814 C LYS A 48 -1.731 -8.905 0.107 1.00 0.00 C ATOM 815 O LYS A 48 -1.549 -7.924 -0.615 1.00 0.00 O ATOM 816 CB LYS A 48 -2.859 -10.443 -1.492 1.00 0.00 C ATOM 817 CG LYS A 48 -1.894 -11.611 -1.570 1.00 0.00 C ATOM 818 CD LYS A 48 -1.716 -12.105 -2.997 1.00 0.00 C ATOM 819 CE LYS A 48 -3.037 -12.548 -3.613 1.00 0.00 C ATOM 820 NZ LYS A 48 -2.858 -13.096 -4.984 1.00 0.00 N ATOM 0 H LYS A 48 -4.093 -8.085 -0.329 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.940 -10.587 0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.852 -10.783 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.557 -9.684 -2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.927 -11.311 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.260 -12.427 -0.946 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.280 -11.312 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.013 -12.938 -3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.497 -13.305 -2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.722 -11.701 -3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.781 -13.385 -5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.443 -12.366 -5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.225 -13.920 -4.948 1.00 0.00 H new ATOM 834 N THR A 49 -0.920 -9.237 1.093 1.00 0.00 N ATOM 835 CA THR A 49 0.308 -8.507 1.353 1.00 0.00 C ATOM 836 C THR A 49 1.502 -9.414 1.086 1.00 0.00 C ATOM 837 O THR A 49 1.478 -10.573 1.461 1.00 0.00 O ATOM 838 CB THR A 49 0.366 -8.023 2.817 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.857 -7.367 3.167 1.00 0.00 O ATOM 840 CG2 THR A 49 1.534 -7.071 3.035 1.00 0.00 C ATOM 0 H THR A 49 -1.091 -10.013 1.732 1.00 0.00 H new ATOM 0 HA THR A 49 0.335 -7.638 0.695 1.00 0.00 H new ATOM 0 HB THR A 49 0.508 -8.896 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.811 -7.065 4.098 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.550 -6.746 4.075 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.468 -7.581 2.800 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.422 -6.203 2.386 1.00 0.00 H new ATOM 848 N SER A 50 2.518 -8.918 0.406 1.00 0.00 N ATOM 849 CA SER A 50 3.753 -9.677 0.221 1.00 0.00 C ATOM 850 C SER A 50 4.884 -8.732 -0.148 1.00 0.00 C ATOM 851 O SER A 50 4.657 -7.538 -0.352 1.00 0.00 O ATOM 852 CB SER A 50 3.611 -10.728 -0.894 1.00 0.00 C ATOM 853 OG SER A 50 2.484 -11.566 -0.702 1.00 0.00 O ATOM 0 H SER A 50 2.519 -7.995 -0.029 1.00 0.00 H new ATOM 0 HA SER A 50 3.968 -10.188 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.527 -10.224 -1.857 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.513 -11.339 -0.932 1.00 0.00 H new ATOM 0 HG SER A 50 2.223 -11.552 0.243 1.00 0.00 H new ATOM 859 N GLU A 51 6.091 -9.264 -0.244 1.00 0.00 N ATOM 860 CA GLU A 51 7.208 -8.493 -0.749 1.00 0.00 C ATOM 861 C GLU A 51 7.955 -9.280 -1.809 1.00 0.00 C ATOM 862 O GLU A 51 7.957 -10.513 -1.813 1.00 0.00 O ATOM 863 CB GLU A 51 8.162 -8.039 0.368 1.00 0.00 C ATOM 864 CG GLU A 51 8.877 -9.154 1.113 1.00 0.00 C ATOM 865 CD GLU A 51 9.826 -8.615 2.175 1.00 0.00 C ATOM 866 OE1 GLU A 51 9.401 -8.457 3.339 1.00 0.00 O ATOM 867 OE2 GLU A 51 10.997 -8.319 1.841 1.00 0.00 O ATOM 0 H GLU A 51 6.319 -10.222 0.020 1.00 0.00 H new ATOM 0 HA GLU A 51 6.799 -7.588 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.912 -7.377 -0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.595 -7.450 1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.141 -9.806 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.436 -9.764 0.403 1.00 0.00 H new ATOM 874 N ASP A 52 8.551 -8.545 -2.718 1.00 0.00 N ATOM 875 CA ASP A 52 9.328 -9.104 -3.805 1.00 0.00 C ATOM 876 C ASP A 52 10.792 -8.767 -3.544 1.00 0.00 C ATOM 877 O ASP A 52 11.181 -8.602 -2.384 1.00 0.00 O ATOM 878 CB ASP A 52 8.839 -8.501 -5.130 1.00 0.00 C ATOM 879 CG ASP A 52 9.265 -9.295 -6.348 1.00 0.00 C ATOM 880 OD1 ASP A 52 10.328 -8.982 -6.921 1.00 0.00 O ATOM 881 OD2 ASP A 52 8.532 -10.223 -6.745 1.00 0.00 O ATOM 0 H ASP A 52 8.511 -7.526 -2.725 1.00 0.00 H new ATOM 0 HA ASP A 52 9.214 -10.186 -3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.751 -8.436 -5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.218 -7.483 -5.219 1.00 0.00 H new ATOM 886 N LYS A 53 11.599 -8.644 -4.588 1.00 0.00 N ATOM 887 CA LYS A 53 12.992 -8.271 -4.413 1.00 0.00 C ATOM 888 C LYS A 53 13.090 -6.851 -3.844 1.00 0.00 C ATOM 889 O LYS A 53 13.152 -6.659 -2.634 1.00 0.00 O ATOM 890 CB LYS A 53 13.759 -8.391 -5.729 1.00 0.00 C ATOM 891 CG LYS A 53 15.244 -8.139 -5.571 1.00 0.00 C ATOM 892 CD LYS A 53 15.995 -8.496 -6.832 1.00 0.00 C ATOM 893 CE LYS A 53 17.497 -8.379 -6.634 1.00 0.00 C ATOM 894 NZ LYS A 53 18.243 -8.527 -7.908 1.00 0.00 N ATOM 0 H LYS A 53 11.315 -8.796 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 53 13.450 -8.959 -3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.607 -9.388 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.350 -7.682 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.414 -7.090 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 53 15.629 -8.726 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 53 15.744 -9.514 -7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 53 15.681 -7.839 -7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.729 -7.411 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 53 17.829 -9.141 -5.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 19.263 -8.440 -7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.043 -9.460 -8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.946 -7.784 -8.572 1.00 0.00 H new ATOM 908 N ARG A 54 13.044 -5.853 -4.705 1.00 0.00 N ATOM 909 CA ARG A 54 13.104 -4.470 -4.260 1.00 0.00 C ATOM 910 C ARG A 54 11.720 -3.946 -3.924 1.00 0.00 C ATOM 911 O ARG A 54 11.549 -2.759 -3.725 1.00 0.00 O ATOM 912 CB ARG A 54 13.698 -3.575 -5.352 1.00 0.00 C ATOM 913 CG ARG A 54 15.196 -3.356 -5.264 1.00 0.00 C ATOM 914 CD ARG A 54 15.648 -2.359 -6.317 1.00 0.00 C ATOM 915 NE ARG A 54 17.054 -1.982 -6.186 1.00 0.00 N ATOM 916 CZ ARG A 54 17.811 -1.597 -7.212 1.00 0.00 C ATOM 917 NH1 ARG A 54 17.334 -1.649 -8.451 1.00 0.00 N ATOM 918 NH2 ARG A 54 19.049 -1.177 -6.995 1.00 0.00 N ATOM 0 H ARG A 54 12.965 -5.971 -5.715 1.00 0.00 H new ATOM 0 HA ARG A 54 13.734 -4.446 -3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.467 -4.013 -6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.202 -2.605 -5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.459 -2.990 -4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.717 -4.303 -5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.483 -2.786 -7.306 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.030 -1.463 -6.249 1.00 0.00 H new ATOM 0 HE ARG A 54 17.478 -2.016 -5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.385 -1.984 -8.619 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.916 -1.353 -9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.419 -1.149 -6.045 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.632 -0.881 -7.778 1.00 0.00 H new ATOM 932 N PHE A 55 10.728 -4.819 -3.846 1.00 0.00 N ATOM 933 CA PHE A 55 9.345 -4.333 -3.883 1.00 0.00 C ATOM 934 C PHE A 55 8.456 -4.942 -2.806 1.00 0.00 C ATOM 935 O PHE A 55 8.770 -5.970 -2.222 1.00 0.00 O ATOM 936 CB PHE A 55 8.724 -4.617 -5.256 1.00 0.00 C ATOM 937 CG PHE A 55 9.686 -4.469 -6.405 1.00 0.00 C ATOM 938 CD1 PHE A 55 10.215 -5.587 -7.030 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.068 -3.214 -6.853 1.00 0.00 C ATOM 940 CE1 PHE A 55 11.106 -5.458 -8.077 1.00 0.00 C ATOM 941 CE2 PHE A 55 10.958 -3.080 -7.901 1.00 0.00 C ATOM 942 CZ PHE A 55 11.477 -4.202 -8.513 1.00 0.00 C ATOM 0 H PHE A 55 10.838 -5.829 -3.760 1.00 0.00 H new ATOM 0 HA PHE A 55 9.398 -3.261 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.323 -5.631 -5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.883 -3.941 -5.410 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.927 -6.572 -6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.666 -2.332 -6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.512 -6.338 -8.554 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.247 -2.097 -8.241 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.173 -4.098 -9.332 1.00 0.00 H new ATOM 952 N TYR A 56 7.348 -4.260 -2.555 1.00 0.00 N ATOM 953 CA TYR A 56 6.261 -4.760 -1.727 1.00 0.00 C ATOM 954 C TYR A 56 4.980 -4.719 -2.535 1.00 0.00 C ATOM 955 O TYR A 56 4.828 -3.863 -3.404 1.00 0.00 O ATOM 956 CB TYR A 56 6.085 -3.915 -0.460 1.00 0.00 C ATOM 957 CG TYR A 56 6.813 -4.455 0.743 1.00 0.00 C ATOM 958 CD1 TYR A 56 6.245 -5.455 1.517 1.00 0.00 C ATOM 959 CD2 TYR A 56 8.063 -3.976 1.100 1.00 0.00 C ATOM 960 CE1 TYR A 56 6.907 -5.968 2.610 1.00 0.00 C ATOM 961 CE2 TYR A 56 8.730 -4.482 2.198 1.00 0.00 C ATOM 962 CZ TYR A 56 8.147 -5.480 2.947 1.00 0.00 C ATOM 963 OH TYR A 56 8.812 -6.005 4.027 1.00 0.00 O ATOM 0 H TYR A 56 7.176 -3.326 -2.928 1.00 0.00 H new ATOM 0 HA TYR A 56 6.497 -5.780 -1.422 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.435 -2.902 -0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.022 -3.845 -0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.269 -5.837 1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.522 -3.196 0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.454 -6.751 3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.703 -4.098 2.468 1.00 0.00 H new ATOM 0 HH TYR A 56 8.840 -6.982 3.951 1.00 0.00 H new ATOM 973 N TYR A 57 4.070 -5.632 -2.256 1.00 0.00 N ATOM 974 CA TYR A 57 2.822 -5.708 -2.995 1.00 0.00 C ATOM 975 C TYR A 57 1.639 -5.884 -2.050 1.00 0.00 C ATOM 976 O TYR A 57 1.408 -6.977 -1.528 1.00 0.00 O ATOM 977 CB TYR A 57 2.872 -6.859 -4.007 1.00 0.00 C ATOM 978 CG TYR A 57 3.773 -6.588 -5.196 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.305 -5.876 -6.292 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.088 -7.037 -5.219 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.120 -5.617 -7.377 1.00 0.00 C ATOM 982 CE2 TYR A 57 5.909 -6.783 -6.303 1.00 0.00 C ATOM 983 CZ TYR A 57 5.419 -6.072 -7.378 1.00 0.00 C ATOM 984 OH TYR A 57 6.235 -5.804 -8.456 1.00 0.00 O ATOM 0 H TYR A 57 4.171 -6.333 -1.522 1.00 0.00 H new ATOM 0 HA TYR A 57 2.689 -4.771 -3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.215 -7.761 -3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.862 -7.059 -4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.286 -5.518 -6.297 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.475 -7.593 -4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.740 -5.060 -8.221 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.928 -7.140 -6.307 1.00 0.00 H new ATOM 0 HH TYR A 57 7.121 -6.193 -8.300 1.00 0.00 H new ATOM 994 N VAL A 58 0.910 -4.798 -1.816 1.00 0.00 N ATOM 995 CA VAL A 58 -0.268 -4.836 -0.956 1.00 0.00 C ATOM 996 C VAL A 58 -1.534 -4.597 -1.772 1.00 0.00 C ATOM 997 O VAL A 58 -1.830 -3.468 -2.155 1.00 0.00 O ATOM 998 CB VAL A 58 -0.199 -3.779 0.169 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.266 -4.041 1.218 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.182 -3.745 0.795 1.00 0.00 C ATOM 0 H VAL A 58 1.114 -3.880 -2.210 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.293 -5.827 -0.503 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.391 -2.800 -0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.200 -3.285 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.251 -3.997 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.114 -5.029 1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.205 -2.993 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.414 -4.722 1.218 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.921 -3.495 0.033 1.00 0.00 H new ATOM 1010 N SER A 59 -2.268 -5.658 -2.046 1.00 0.00 N ATOM 1011 CA SER A 59 -3.505 -5.547 -2.804 1.00 0.00 C ATOM 1012 C SER A 59 -4.658 -5.251 -1.857 1.00 0.00 C ATOM 1013 O SER A 59 -4.866 -5.988 -0.896 1.00 0.00 O ATOM 1014 CB SER A 59 -3.789 -6.847 -3.547 1.00 0.00 C ATOM 1015 OG SER A 59 -2.624 -7.345 -4.179 1.00 0.00 O ATOM 0 H SER A 59 -2.032 -6.607 -1.757 1.00 0.00 H new ATOM 0 HA SER A 59 -3.401 -4.738 -3.527 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.172 -7.591 -2.849 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.566 -6.680 -4.293 1.00 0.00 H new ATOM 0 HG SER A 59 -2.333 -8.165 -3.729 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.394 -4.180 -2.111 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.515 -3.821 -1.255 1.00 0.00 C ATOM 1023 C VAL A 60 -7.767 -3.532 -2.068 1.00 0.00 C ATOM 1024 O VAL A 60 -7.695 -3.136 -3.235 1.00 0.00 O ATOM 1025 CB VAL A 60 -6.201 -2.591 -0.372 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.892 -2.791 0.370 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -6.173 -1.317 -1.201 1.00 0.00 C ATOM 0 H VAL A 60 -5.238 -3.548 -2.896 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.690 -4.683 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.997 -2.486 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.686 -1.916 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.965 -3.674 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.084 -2.927 -0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.950 -0.468 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.405 -1.400 -1.970 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.144 -1.169 -1.673 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.906 -3.754 -1.441 1.00 0.00 N ATOM 1038 CA ASP A 61 -10.185 -3.359 -1.996 1.00 0.00 C ATOM 1039 C ASP A 61 -10.496 -1.950 -1.514 1.00 0.00 C ATOM 1040 O ASP A 61 -10.545 -1.697 -0.309 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.282 -4.334 -1.557 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.630 -4.038 -2.185 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -13.271 -3.045 -1.793 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -13.070 -4.818 -3.060 1.00 0.00 O ATOM 0 H ASP A 61 -8.970 -4.213 -0.533 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.143 -3.378 -3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.982 -5.349 -1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.378 -4.298 -0.472 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.679 -1.036 -2.454 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.860 0.377 -2.130 1.00 0.00 C ATOM 1051 C ALA A 62 -12.288 0.691 -1.678 1.00 0.00 C ATOM 1052 O ALA A 62 -12.687 1.857 -1.623 1.00 0.00 O ATOM 1053 CB ALA A 62 -10.475 1.235 -3.327 1.00 0.00 C ATOM 0 H ALA A 62 -10.707 -1.245 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.205 0.611 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.612 2.288 -3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.431 1.055 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.106 0.977 -4.177 1.00 0.00 H new ATOM 1059 N GLY A 63 -13.061 -0.344 -1.368 1.00 0.00 N ATOM 1060 CA GLY A 63 -14.406 -0.150 -0.862 1.00 0.00 C ATOM 1061 C GLY A 63 -15.418 0.025 -1.972 1.00 0.00 C ATOM 1062 O GLY A 63 -16.422 -0.685 -2.030 1.00 0.00 O ATOM 0 H GLY A 63 -12.777 -1.319 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.688 -1.006 -0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.425 0.727 -0.215 1.00 0.00 H new ATOM 1066 N ASP A 64 -15.141 0.968 -2.860 1.00 0.00 N ATOM 1067 CA ASP A 64 -16.009 1.247 -3.997 1.00 0.00 C ATOM 1068 C ASP A 64 -16.042 0.059 -4.954 1.00 0.00 C ATOM 1069 O ASP A 64 -16.997 -0.129 -5.707 1.00 0.00 O ATOM 1070 CB ASP A 64 -15.517 2.495 -4.728 1.00 0.00 C ATOM 1071 CG ASP A 64 -16.418 2.901 -5.875 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -17.488 3.489 -5.616 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -16.048 2.660 -7.041 1.00 0.00 O ATOM 0 H ASP A 64 -14.312 1.560 -2.814 1.00 0.00 H new ATOM 0 HA ASP A 64 -17.021 1.420 -3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.446 3.320 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.512 2.314 -5.109 1.00 0.00 H new ATOM 1078 N GLY A 65 -15.001 -0.753 -4.899 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.903 -1.893 -5.783 1.00 0.00 C ATOM 1080 C GLY A 65 -13.609 -1.888 -6.559 1.00 0.00 C ATOM 1081 O GLY A 65 -13.294 -2.841 -7.270 1.00 0.00 O ATOM 0 H GLY A 65 -14.218 -0.643 -4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.975 -2.812 -5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.744 -1.889 -6.477 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.862 -0.801 -6.432 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.559 -0.699 -7.051 1.00 0.00 C ATOM 1087 C GLU A 66 -10.546 -1.520 -6.279 1.00 0.00 C ATOM 1088 O GLU A 66 -10.681 -1.707 -5.071 1.00 0.00 O ATOM 1089 CB GLU A 66 -11.121 0.757 -7.127 1.00 0.00 C ATOM 1090 CG GLU A 66 -11.811 1.526 -8.236 1.00 0.00 C ATOM 1091 CD GLU A 66 -11.302 2.941 -8.366 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -10.158 3.124 -8.829 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -12.049 3.879 -8.026 1.00 0.00 O ATOM 0 H GLU A 66 -13.143 0.024 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.622 -1.092 -8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.327 1.243 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.043 0.799 -7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.664 1.003 -9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.884 1.546 -8.046 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.536 -2.009 -6.972 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.557 -2.872 -6.355 1.00 0.00 C ATOM 1102 C LYS A 67 -7.158 -2.333 -6.608 1.00 0.00 C ATOM 1103 O LYS A 67 -6.650 -2.398 -7.725 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.700 -4.288 -6.904 1.00 0.00 C ATOM 1105 CG LYS A 67 -7.965 -5.340 -6.095 1.00 0.00 C ATOM 1106 CD LYS A 67 -8.237 -6.729 -6.645 1.00 0.00 C ATOM 1107 CE LYS A 67 -9.723 -7.054 -6.591 1.00 0.00 C ATOM 1108 NZ LYS A 67 -10.052 -8.300 -7.327 1.00 0.00 N ATOM 0 H LYS A 67 -9.375 -1.822 -7.962 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.724 -2.899 -5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.758 -4.547 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.330 -4.308 -7.929 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.894 -5.139 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.279 -5.289 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.884 -6.792 -7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.678 -7.468 -6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.033 -7.156 -5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.290 -6.224 -7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.074 -8.481 -7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.781 -8.195 -8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.532 -9.098 -6.909 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.546 -1.785 -5.577 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.245 -1.155 -5.724 1.00 0.00 C ATOM 1124 C CYS A 68 -4.154 -2.017 -5.119 1.00 0.00 C ATOM 1125 O CYS A 68 -4.278 -2.514 -4.004 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.242 0.229 -5.070 1.00 0.00 C ATOM 1127 SG CYS A 68 -6.619 1.311 -5.579 1.00 0.00 S ATOM 0 H CYS A 68 -6.925 -1.762 -4.630 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.045 -1.042 -6.790 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.275 0.105 -3.988 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.301 0.726 -5.305 1.00 0.00 H new ATOM 1132 N LYS A 69 -3.094 -2.199 -5.883 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.921 -2.912 -5.424 1.00 0.00 C ATOM 1134 C LYS A 69 -0.856 -1.894 -5.040 1.00 0.00 C ATOM 1135 O LYS A 69 -0.202 -1.306 -5.905 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.402 -3.827 -6.535 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.085 -4.515 -6.218 1.00 0.00 C ATOM 1138 CD LYS A 69 -0.293 -5.920 -5.686 1.00 0.00 C ATOM 1139 CE LYS A 69 -0.847 -6.847 -6.757 1.00 0.00 C ATOM 1140 NZ LYS A 69 -1.093 -8.216 -6.232 1.00 0.00 N ATOM 0 H LYS A 69 -3.023 -1.855 -6.841 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.170 -3.527 -4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.154 -4.588 -6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.281 -3.240 -7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.529 -4.555 -7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.464 -3.926 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.654 -6.314 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.978 -5.891 -4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.778 -6.435 -7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.147 -6.898 -7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.502 -8.808 -6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.195 -8.632 -5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.755 -8.167 -5.431 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.721 -1.646 -3.754 1.00 0.00 N ATOM 1155 CA PHE A 70 0.253 -0.691 -3.264 1.00 0.00 C ATOM 1156 C PHE A 70 1.645 -1.285 -3.335 1.00 0.00 C ATOM 1157 O PHE A 70 1.989 -2.183 -2.564 1.00 0.00 O ATOM 1158 CB PHE A 70 -0.081 -0.266 -1.834 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.300 0.604 -1.750 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -1.174 1.977 -1.636 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -2.569 0.055 -1.796 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -2.289 2.787 -1.571 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -3.687 0.860 -1.729 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.548 2.228 -1.618 1.00 0.00 C ATOM 0 H PHE A 70 -1.276 -2.095 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 70 0.221 0.196 -3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.234 -1.156 -1.223 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.770 0.269 -1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.190 2.421 -1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.685 -1.015 -1.885 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.175 3.857 -1.483 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.672 0.419 -1.763 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.423 2.859 -1.568 1.00 0.00 H new ATOM 1174 N LYS A 71 2.431 -0.805 -4.282 1.00 0.00 N ATOM 1175 CA LYS A 71 3.764 -1.314 -4.473 1.00 0.00 C ATOM 1176 C LYS A 71 4.777 -0.400 -3.808 1.00 0.00 C ATOM 1177 O LYS A 71 5.031 0.725 -4.251 1.00 0.00 O ATOM 1178 CB LYS A 71 4.050 -1.478 -5.959 1.00 0.00 C ATOM 1179 CG LYS A 71 5.448 -1.957 -6.276 1.00 0.00 C ATOM 1180 CD LYS A 71 5.561 -2.294 -7.746 1.00 0.00 C ATOM 1181 CE LYS A 71 6.976 -2.682 -8.130 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.036 -3.278 -9.488 1.00 0.00 N ATOM 0 H LYS A 71 2.163 -0.063 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 71 3.846 -2.295 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.333 -2.184 -6.379 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.885 -0.522 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.173 -1.186 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.685 -2.834 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.883 -3.113 -7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.246 -1.436 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.617 -1.802 -8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.367 -3.394 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.009 -3.218 -9.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.744 -4.275 -9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.397 -2.759 -10.124 1.00 0.00 H new ATOM 1196 N ILE A 72 5.342 -0.890 -2.729 1.00 0.00 N ATOM 1197 CA ILE A 72 6.299 -0.131 -1.958 1.00 0.00 C ATOM 1198 C ILE A 72 7.689 -0.684 -2.216 1.00 0.00 C ATOM 1199 O ILE A 72 7.981 -1.812 -1.853 1.00 0.00 O ATOM 1200 CB ILE A 72 5.966 -0.198 -0.450 1.00 0.00 C ATOM 1201 CG1 ILE A 72 4.562 0.376 -0.195 1.00 0.00 C ATOM 1202 CG2 ILE A 72 7.011 0.553 0.362 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.990 0.032 1.167 1.00 0.00 C ATOM 0 H ILE A 72 5.152 -1.823 -2.362 1.00 0.00 H new ATOM 0 HA ILE A 72 6.257 0.915 -2.263 1.00 0.00 H new ATOM 0 HB ILE A 72 5.978 -1.241 -0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.600 1.460 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.885 0.007 -0.965 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.760 0.495 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.991 0.106 0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.032 1.597 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.999 0.474 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.917 -1.051 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.643 0.425 1.946 1.00 0.00 H new ATOM 1215 N ARG A 73 8.547 0.107 -2.842 1.00 0.00 N ATOM 1216 CA ARG A 73 9.856 -0.381 -3.272 1.00 0.00 C ATOM 1217 C ARG A 73 10.827 -0.415 -2.094 1.00 0.00 C ATOM 1218 O ARG A 73 12.039 -0.317 -2.262 1.00 0.00 O ATOM 1219 CB ARG A 73 10.392 0.492 -4.411 1.00 0.00 C ATOM 1220 CG ARG A 73 11.451 -0.194 -5.262 1.00 0.00 C ATOM 1221 CD ARG A 73 11.565 0.436 -6.641 1.00 0.00 C ATOM 1222 NE ARG A 73 11.971 1.836 -6.575 1.00 0.00 N ATOM 1223 CZ ARG A 73 12.013 2.649 -7.627 1.00 0.00 C ATOM 1224 NH1 ARG A 73 11.678 2.200 -8.832 1.00 0.00 N ATOM 1225 NH2 ARG A 73 12.401 3.905 -7.471 1.00 0.00 N ATOM 0 H ARG A 73 8.365 1.086 -3.065 1.00 0.00 H new ATOM 0 HA ARG A 73 9.752 -1.400 -3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.561 0.789 -5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.813 1.405 -3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.415 -0.138 -4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.206 -1.251 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.288 -0.123 -7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.606 0.361 -7.153 1.00 0.00 H new ATOM 0 HE ARG A 73 12.239 2.214 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.388 1.230 -8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.711 2.826 -9.637 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.666 4.246 -6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.435 4.532 -8.275 1.00 0.00 H new ATOM 1239 N LYS A 74 10.259 -0.613 -0.908 1.00 0.00 N ATOM 1240 CA LYS A 74 11.000 -0.653 0.345 1.00 0.00 C ATOM 1241 C LYS A 74 11.781 0.641 0.563 1.00 0.00 C ATOM 1242 O LYS A 74 11.702 1.571 -0.241 1.00 0.00 O ATOM 1243 CB LYS A 74 11.902 -1.896 0.379 1.00 0.00 C ATOM 1244 CG LYS A 74 11.129 -3.157 0.010 1.00 0.00 C ATOM 1245 CD LYS A 74 11.939 -4.436 0.139 1.00 0.00 C ATOM 1246 CE LYS A 74 11.124 -5.620 -0.364 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.814 -6.927 -0.192 1.00 0.00 N ATOM 0 H LYS A 74 9.255 -0.752 -0.791 1.00 0.00 H new ATOM 0 HA LYS A 74 10.297 -0.731 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.734 -1.762 -0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.330 -2.009 1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.248 -3.231 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.773 -3.066 -1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.863 -4.351 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.222 -4.594 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.172 -5.648 0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.897 -5.473 -1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.003 -7.345 -1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.713 -6.782 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.209 -7.569 0.359 1.00 0.00 H new ATOM 1261 N ASP A 75 12.523 0.712 1.652 1.00 0.00 N ATOM 1262 CA ASP A 75 13.208 1.943 2.017 1.00 0.00 C ATOM 1263 C ASP A 75 14.571 2.000 1.341 1.00 0.00 C ATOM 1264 O ASP A 75 15.572 2.383 1.950 1.00 0.00 O ATOM 1265 CB ASP A 75 13.358 2.025 3.535 1.00 0.00 C ATOM 1266 CG ASP A 75 13.397 3.449 4.050 1.00 0.00 C ATOM 1267 OD1 ASP A 75 14.500 4.017 4.180 1.00 0.00 O ATOM 1268 OD2 ASP A 75 12.312 3.996 4.349 1.00 0.00 O ATOM 0 H ASP A 75 12.668 -0.063 2.299 1.00 0.00 H new ATOM 0 HA ASP A 75 12.618 2.795 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.529 1.497 4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.272 1.512 3.832 1.00 0.00 H new ATOM 1273 N VAL A 76 14.613 1.609 0.074 1.00 0.00 N ATOM 1274 CA VAL A 76 15.856 1.622 -0.670 1.00 0.00 C ATOM 1275 C VAL A 76 16.200 3.050 -1.090 1.00 0.00 C ATOM 1276 O VAL A 76 15.570 3.621 -1.986 1.00 0.00 O ATOM 1277 CB VAL A 76 15.828 0.683 -1.904 1.00 0.00 C ATOM 1278 CG1 VAL A 76 15.746 -0.768 -1.462 1.00 0.00 C ATOM 1279 CG2 VAL A 76 14.679 1.014 -2.845 1.00 0.00 C ATOM 0 H VAL A 76 13.804 1.282 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 76 16.632 1.240 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 76 16.756 0.838 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 76 15.727 -1.415 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 76 16.614 -1.012 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.837 -0.920 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.697 0.332 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.732 0.908 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.783 2.039 -3.200 1.00 0.00 H new ATOM 1289 N ASP A 77 17.191 3.625 -0.411 1.00 0.00 N ATOM 1290 CA ASP A 77 17.594 5.024 -0.610 1.00 0.00 C ATOM 1291 C ASP A 77 16.531 5.988 -0.084 1.00 0.00 C ATOM 1292 O ASP A 77 16.777 6.747 0.855 1.00 0.00 O ATOM 1293 CB ASP A 77 17.878 5.329 -2.084 1.00 0.00 C ATOM 1294 CG ASP A 77 18.332 6.759 -2.289 1.00 0.00 C ATOM 1295 OD1 ASP A 77 17.500 7.603 -2.688 1.00 0.00 O ATOM 1296 OD2 ASP A 77 19.518 7.052 -2.035 1.00 0.00 O ATOM 0 H ASP A 77 17.741 3.136 0.295 1.00 0.00 H new ATOM 0 HA ASP A 77 18.514 5.167 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.645 4.648 -2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.979 5.146 -2.672 1.00 0.00 H new ATOM 1301 N VAL A 78 15.355 5.965 -0.695 1.00 0.00 N ATOM 1302 CA VAL A 78 14.249 6.797 -0.249 1.00 0.00 C ATOM 1303 C VAL A 78 13.493 6.107 0.869 1.00 0.00 C ATOM 1304 O VAL A 78 13.446 4.883 0.933 1.00 0.00 O ATOM 1305 CB VAL A 78 13.242 7.116 -1.378 1.00 0.00 C ATOM 1306 CG1 VAL A 78 13.878 7.948 -2.472 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.652 5.841 -1.952 1.00 0.00 C ATOM 0 H VAL A 78 15.143 5.378 -1.502 1.00 0.00 H new ATOM 0 HA VAL A 78 14.693 7.732 0.092 1.00 0.00 H new ATOM 0 HB VAL A 78 12.435 7.704 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 78 13.141 8.153 -3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 78 14.235 8.889 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 78 14.717 7.402 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.947 6.091 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.451 5.222 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.134 5.293 -1.165 1.00 0.00 H new ATOM 1317 N PRO A 79 12.881 6.891 1.752 1.00 0.00 N ATOM 1318 CA PRO A 79 12.030 6.377 2.812 1.00 0.00 C ATOM 1319 C PRO A 79 10.603 6.187 2.334 1.00 0.00 C ATOM 1320 O PRO A 79 9.658 6.281 3.107 1.00 0.00 O ATOM 1321 CB PRO A 79 12.064 7.501 3.824 1.00 0.00 C ATOM 1322 CG PRO A 79 12.141 8.727 2.992 1.00 0.00 C ATOM 1323 CD PRO A 79 12.970 8.358 1.797 1.00 0.00 C ATOM 0 HA PRO A 79 12.362 5.409 3.186 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.174 7.500 4.453 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.924 7.414 4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.147 9.059 2.691 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.597 9.548 3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.582 8.811 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.001 8.694 1.906 1.00 0.00 H new ATOM 1331 N LYS A 80 10.453 5.916 1.063 1.00 0.00 N ATOM 1332 CA LYS A 80 9.145 5.947 0.448 1.00 0.00 C ATOM 1333 C LYS A 80 8.890 4.707 -0.399 1.00 0.00 C ATOM 1334 O LYS A 80 9.515 3.669 -0.215 1.00 0.00 O ATOM 1335 CB LYS A 80 9.004 7.204 -0.413 1.00 0.00 C ATOM 1336 CG LYS A 80 7.644 7.865 -0.282 1.00 0.00 C ATOM 1337 CD LYS A 80 7.335 8.762 -1.471 1.00 0.00 C ATOM 1338 CE LYS A 80 8.109 10.065 -1.416 1.00 0.00 C ATOM 1339 NZ LYS A 80 7.672 10.910 -0.273 1.00 0.00 N ATOM 0 H LYS A 80 11.217 5.672 0.432 1.00 0.00 H new ATOM 0 HA LYS A 80 8.403 5.963 1.246 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.777 7.919 -0.132 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.176 6.943 -1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.874 7.098 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.613 8.453 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.576 8.236 -2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.266 8.976 -1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.174 9.853 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.970 10.612 -2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.921 11.902 -0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.642 10.828 -0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.147 10.592 0.596 1.00 0.00 H new ATOM 1353 N MET A 81 7.955 4.838 -1.322 1.00 0.00 N ATOM 1354 CA MET A 81 7.539 3.737 -2.169 1.00 0.00 C ATOM 1355 C MET A 81 7.816 4.066 -3.624 1.00 0.00 C ATOM 1356 O MET A 81 8.090 5.219 -3.967 1.00 0.00 O ATOM 1357 CB MET A 81 6.048 3.454 -1.980 1.00 0.00 C ATOM 1358 CG MET A 81 5.175 4.686 -2.108 1.00 0.00 C ATOM 1359 SD MET A 81 3.419 4.296 -2.068 1.00 0.00 S ATOM 1360 CE MET A 81 2.799 5.769 -1.266 1.00 0.00 C ATOM 0 H MET A 81 7.462 5.712 -1.505 1.00 0.00 H new ATOM 0 HA MET A 81 8.106 2.850 -1.887 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.731 2.716 -2.717 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.893 3.010 -0.997 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.408 5.378 -1.299 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.409 5.197 -3.042 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.766 5.941 -1.569 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.843 5.640 -0.185 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.409 6.625 -1.555 1.00 0.00 H new ATOM 1370 N VAL A 82 7.741 3.057 -4.470 1.00 0.00 N ATOM 1371 CA VAL A 82 7.922 3.255 -5.904 1.00 0.00 C ATOM 1372 C VAL A 82 6.632 3.758 -6.551 1.00 0.00 C ATOM 1373 O VAL A 82 6.630 4.784 -7.230 1.00 0.00 O ATOM 1374 CB VAL A 82 8.405 1.967 -6.620 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.512 0.777 -6.304 1.00 0.00 C ATOM 1376 CG2 VAL A 82 8.482 2.188 -8.122 1.00 0.00 C ATOM 0 H VAL A 82 7.557 2.092 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 82 8.700 4.010 -6.020 1.00 0.00 H new ATOM 0 HB VAL A 82 9.403 1.739 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.884 -0.105 -6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.517 0.594 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.494 0.989 -6.631 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.823 1.273 -8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.496 2.454 -8.502 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.183 2.995 -8.336 1.00 0.00 H new ATOM 1386 N GLY A 83 5.537 3.053 -6.313 1.00 0.00 N ATOM 1387 CA GLY A 83 4.286 3.416 -6.925 1.00 0.00 C ATOM 1388 C GLY A 83 3.153 2.521 -6.484 1.00 0.00 C ATOM 1389 O GLY A 83 3.259 1.300 -6.525 1.00 0.00 O ATOM 0 H GLY A 83 5.497 2.235 -5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.048 4.450 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.386 3.365 -8.009 1.00 0.00 H new ATOM 1393 N ARG A 84 2.074 3.121 -6.030 1.00 0.00 N ATOM 1394 CA ARG A 84 0.888 2.360 -5.719 1.00 0.00 C ATOM 1395 C ARG A 84 -0.068 2.442 -6.891 1.00 0.00 C ATOM 1396 O ARG A 84 -0.517 3.521 -7.278 1.00 0.00 O ATOM 1397 CB ARG A 84 0.226 2.826 -4.418 1.00 0.00 C ATOM 1398 CG ARG A 84 -0.271 4.261 -4.411 1.00 0.00 C ATOM 1399 CD ARG A 84 0.853 5.259 -4.172 1.00 0.00 C ATOM 1400 NE ARG A 84 1.259 5.941 -5.400 1.00 0.00 N ATOM 1401 CZ ARG A 84 2.506 6.330 -5.664 1.00 0.00 C ATOM 1402 NH1 ARG A 84 3.481 6.054 -4.810 1.00 0.00 N ATOM 1403 NH2 ARG A 84 2.776 6.992 -6.780 1.00 0.00 N ATOM 0 H ARG A 84 1.995 4.125 -5.870 1.00 0.00 H new ATOM 0 HA ARG A 84 1.171 1.320 -5.554 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.616 2.168 -4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.941 2.704 -3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.753 4.481 -5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.028 4.377 -3.636 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.530 5.998 -3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.712 4.741 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 84 0.542 6.131 -6.100 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.277 5.544 -3.951 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.435 6.352 -5.012 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.028 7.205 -7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.732 7.288 -6.979 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.360 1.296 -7.457 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.072 1.226 -8.714 1.00 0.00 C ATOM 1419 C LYS A 85 -2.340 0.409 -8.547 1.00 0.00 C ATOM 1420 O LYS A 85 -2.277 -0.787 -8.250 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.179 0.569 -9.770 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.301 1.155 -11.160 1.00 0.00 C ATOM 1423 CD LYS A 85 0.607 0.419 -12.124 1.00 0.00 C ATOM 1424 CE LYS A 85 0.571 1.021 -13.513 1.00 0.00 C ATOM 1425 NZ LYS A 85 1.474 0.296 -14.446 1.00 0.00 N ATOM 0 H LYS A 85 -0.113 0.388 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.335 2.235 -9.032 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.859 0.649 -9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.418 -0.493 -9.817 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.334 1.088 -11.500 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.040 2.213 -11.140 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.629 0.440 -11.746 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.308 -0.628 -12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.449 0.992 -13.897 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.864 2.070 -13.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.773 0.937 -15.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.311 -0.040 -13.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.970 -0.517 -14.855 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.493 1.039 -8.699 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.726 0.283 -8.695 1.00 0.00 C ATOM 1441 C CYS A 86 -4.831 -0.501 -9.982 1.00 0.00 C ATOM 1442 O CYS A 86 -4.775 0.051 -11.079 1.00 0.00 O ATOM 1443 CB CYS A 86 -5.969 1.153 -8.523 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.864 2.349 -7.155 1.00 0.00 S ATOM 0 H CYS A 86 -3.598 2.046 -8.823 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.690 -0.383 -7.833 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.150 1.695 -9.451 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.831 0.506 -8.359 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.963 -1.788 -9.824 1.00 0.00 N ATOM 1450 CA ARG A 87 -5.085 -2.697 -10.934 1.00 0.00 C ATOM 1451 C ARG A 87 -6.326 -3.526 -10.719 1.00 0.00 C ATOM 1452 O ARG A 87 -6.270 -4.659 -10.242 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.840 -3.574 -11.066 1.00 0.00 C ATOM 1454 CG ARG A 87 -3.296 -4.057 -9.735 1.00 0.00 C ATOM 1455 CD ARG A 87 -2.247 -5.130 -9.923 1.00 0.00 C ATOM 1456 NE ARG A 87 -2.828 -6.366 -10.442 1.00 0.00 N ATOM 1457 CZ ARG A 87 -2.139 -7.488 -10.634 1.00 0.00 C ATOM 1458 NH1 ARG A 87 -0.827 -7.501 -10.434 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -2.759 -8.587 -11.050 1.00 0.00 N ATOM 0 H ARG A 87 -4.989 -2.243 -8.911 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.171 -2.141 -11.868 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.078 -4.438 -11.687 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.063 -3.012 -11.585 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.865 -3.217 -9.190 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.112 -4.447 -9.127 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.479 -4.772 -10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.756 -5.330 -8.971 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.822 -6.369 -10.671 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.348 -6.652 -10.134 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.297 -8.360 -10.581 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.764 -8.571 -11.223 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.230 -9.447 -11.197 1.00 0.00 H new ATOM 1473 N LYS A 88 -7.455 -2.913 -11.015 1.00 0.00 N ATOM 1474 CA LYS A 88 -8.746 -3.505 -10.744 1.00 0.00 C ATOM 1475 C LYS A 88 -9.033 -4.620 -11.745 1.00 0.00 C ATOM 1476 O LYS A 88 -9.946 -5.428 -11.563 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.815 -2.414 -10.802 1.00 0.00 C ATOM 1478 CG LYS A 88 -11.080 -2.747 -10.041 1.00 0.00 C ATOM 1479 CD LYS A 88 -12.134 -1.663 -10.216 1.00 0.00 C ATOM 1480 CE LYS A 88 -12.567 -1.519 -11.667 1.00 0.00 C ATOM 1481 NZ LYS A 88 -13.533 -0.404 -11.846 1.00 0.00 N ATOM 0 H LYS A 88 -7.501 -1.991 -11.450 1.00 0.00 H new ATOM 0 HA LYS A 88 -8.752 -3.948 -9.748 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.397 -1.489 -10.404 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -10.070 -2.225 -11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.476 -3.701 -10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.849 -2.865 -8.982 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.002 -1.898 -9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -11.739 -0.712 -9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -11.691 -1.345 -12.292 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -13.020 -2.451 -12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.805 -0.337 -12.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -14.380 -0.582 -11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -13.092 0.489 -11.547 1.00 0.00 H new ATOM 1495 N ASP A 89 -8.223 -4.661 -12.795 1.00 0.00 N ATOM 1496 CA ASP A 89 -8.310 -5.711 -13.799 1.00 0.00 C ATOM 1497 C ASP A 89 -7.500 -6.926 -13.342 1.00 0.00 C ATOM 1498 O ASP A 89 -6.806 -6.871 -12.326 1.00 0.00 O ATOM 1499 CB ASP A 89 -7.799 -5.192 -15.149 1.00 0.00 C ATOM 1500 CG ASP A 89 -8.089 -6.140 -16.296 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -9.222 -6.114 -16.826 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -7.185 -6.915 -16.673 1.00 0.00 O ATOM 0 H ASP A 89 -7.492 -3.972 -12.973 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.351 -6.011 -13.921 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.259 -4.226 -15.358 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.724 -5.026 -15.085 1.00 0.00 H new ATOM 1507 N ASP A 90 -7.574 -8.011 -14.096 1.00 0.00 N ATOM 1508 CA ASP A 90 -6.953 -9.269 -13.701 1.00 0.00 C ATOM 1509 C ASP A 90 -5.486 -9.329 -14.118 1.00 0.00 C ATOM 1510 O ASP A 90 -4.708 -10.105 -13.558 1.00 0.00 O ATOM 1511 CB ASP A 90 -7.713 -10.446 -14.319 1.00 0.00 C ATOM 1512 CG ASP A 90 -9.161 -10.506 -13.883 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -9.472 -11.262 -12.940 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -10.001 -9.801 -14.484 1.00 0.00 O ATOM 0 H ASP A 90 -8.061 -8.047 -14.991 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.997 -9.332 -12.614 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.669 -10.370 -15.405 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.217 -11.377 -14.044 1.00 0.00 H new ATOM 1519 N ASP A 91 -5.113 -8.509 -15.099 1.00 0.00 N ATOM 1520 CA ASP A 91 -3.741 -8.489 -15.619 1.00 0.00 C ATOM 1521 C ASP A 91 -2.732 -8.173 -14.520 1.00 0.00 C ATOM 1522 O ASP A 91 -2.953 -7.277 -13.702 1.00 0.00 O ATOM 1523 CB ASP A 91 -3.611 -7.463 -16.750 1.00 0.00 C ATOM 1524 CG ASP A 91 -2.179 -7.299 -17.230 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -1.702 -8.160 -18.000 1.00 0.00 O ATOM 1526 OD2 ASP A 91 -1.531 -6.301 -16.851 1.00 0.00 O ATOM 0 H ASP A 91 -5.742 -7.847 -15.553 1.00 0.00 H new ATOM 0 HA ASP A 91 -3.524 -9.484 -16.008 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.238 -7.770 -17.587 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.987 -6.500 -16.406 1.00 0.00 H new ATOM 1531 N ASP A 92 -1.631 -8.915 -14.503 1.00 0.00 N ATOM 1532 CA ASP A 92 -0.591 -8.713 -13.502 1.00 0.00 C ATOM 1533 C ASP A 92 0.434 -7.703 -13.992 1.00 0.00 C ATOM 1534 O ASP A 92 1.213 -7.981 -14.904 1.00 0.00 O ATOM 1535 CB ASP A 92 0.099 -10.037 -13.158 1.00 0.00 C ATOM 1536 CG ASP A 92 1.119 -9.889 -12.042 1.00 0.00 C ATOM 1537 OD1 ASP A 92 0.720 -9.538 -10.910 1.00 0.00 O ATOM 1538 OD2 ASP A 92 2.317 -10.136 -12.281 1.00 0.00 O ATOM 0 H ASP A 92 -1.436 -9.661 -15.170 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.064 -8.324 -12.600 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.653 -10.769 -12.864 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.593 -10.427 -14.048 1.00 0.00 H new ATOM 1543 N ASP A 93 0.407 -6.523 -13.395 1.00 0.00 N ATOM 1544 CA ASP A 93 1.337 -5.456 -13.741 1.00 0.00 C ATOM 1545 C ASP A 93 2.695 -5.734 -13.096 1.00 0.00 C ATOM 1546 O ASP A 93 2.768 -6.423 -12.076 1.00 0.00 O ATOM 1547 CB ASP A 93 0.781 -4.110 -13.253 1.00 0.00 C ATOM 1548 CG ASP A 93 1.385 -2.914 -13.963 1.00 0.00 C ATOM 1549 OD1 ASP A 93 0.656 -2.228 -14.707 1.00 0.00 O ATOM 1550 OD2 ASP A 93 2.582 -2.639 -13.773 1.00 0.00 O ATOM 0 H ASP A 93 -0.256 -6.276 -12.660 1.00 0.00 H new ATOM 0 HA ASP A 93 1.461 -5.414 -14.823 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.300 -4.099 -13.395 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.963 -4.017 -12.182 1.00 0.00 H new ATOM 1555 N ASP A 94 3.765 -5.217 -13.681 1.00 0.00 N ATOM 1556 CA ASP A 94 5.100 -5.409 -13.117 1.00 0.00 C ATOM 1557 C ASP A 94 5.792 -4.072 -12.883 1.00 0.00 C ATOM 1558 O ASP A 94 6.825 -4.003 -12.220 1.00 0.00 O ATOM 1559 CB ASP A 94 5.966 -6.292 -14.025 1.00 0.00 C ATOM 1560 CG ASP A 94 6.455 -5.574 -15.267 1.00 0.00 C ATOM 1561 OD1 ASP A 94 5.729 -5.573 -16.286 1.00 0.00 O ATOM 1562 OD2 ASP A 94 7.580 -5.026 -15.238 1.00 0.00 O ATOM 0 H ASP A 94 3.740 -4.665 -14.539 1.00 0.00 H new ATOM 0 HA ASP A 94 4.977 -5.913 -12.158 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.825 -6.651 -13.459 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.391 -7.169 -14.323 1.00 0.00 H new ATOM 1567 N GLY A 95 5.200 -3.009 -13.401 1.00 0.00 N ATOM 1568 CA GLY A 95 5.788 -1.693 -13.284 1.00 0.00 C ATOM 1569 C GLY A 95 4.799 -0.703 -12.717 1.00 0.00 C ATOM 1570 O GLY A 95 3.995 -0.124 -13.450 1.00 0.00 O ATOM 0 H GLY A 95 4.314 -3.035 -13.905 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.668 -1.740 -12.642 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.126 -1.354 -14.263 1.00 0.00 H new ATOM 1574 N TYR A 96 4.858 -0.503 -11.411 1.00 0.00 N ATOM 1575 CA TYR A 96 3.887 0.327 -10.727 1.00 0.00 C ATOM 1576 C TYR A 96 4.493 1.696 -10.472 1.00 0.00 C ATOM 1577 O TYR A 96 5.594 1.751 -9.882 1.00 0.00 O ATOM 1578 CB TYR A 96 3.444 -0.317 -9.405 1.00 0.00 C ATOM 1579 CG TYR A 96 2.779 -1.686 -9.540 1.00 0.00 C ATOM 1580 CD1 TYR A 96 1.483 -1.893 -9.087 1.00 0.00 C ATOM 1581 CD2 TYR A 96 3.443 -2.766 -10.111 1.00 0.00 C ATOM 1582 CE1 TYR A 96 0.869 -3.122 -9.195 1.00 0.00 C ATOM 1583 CE2 TYR A 96 2.834 -4.002 -10.222 1.00 0.00 C ATOM 1584 CZ TYR A 96 1.546 -4.174 -9.762 1.00 0.00 C ATOM 1585 OH TYR A 96 0.934 -5.406 -9.868 1.00 0.00 O ATOM 1586 OXT TYR A 96 3.880 2.701 -10.879 1.00 0.00 O ATOM 0 H TYR A 96 5.571 -0.906 -10.804 1.00 0.00 H new ATOM 0 HA TYR A 96 3.003 0.430 -11.357 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.315 -0.416 -8.758 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.750 0.359 -8.905 1.00 0.00 H new ATOM 0 HD1 TYR A 96 0.943 -1.071 -8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.452 -2.637 -10.474 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -0.140 -3.257 -8.835 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.365 -4.830 -10.668 1.00 0.00 H new ATOM 0 HH TYR A 96 1.392 -5.941 -10.549 1.00 0.00 H new TER 1596 TYR A 96