USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 806 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 44 LYS NZ :NH3+ 164:sc= 0.00869 (180deg=-0.048) USER MOD Set 1.2: A 103 GLN : amide:sc= 0.0463 K(o=0.055,f=-1.1) USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 18 CYS SG : rot -94:sc= 1.37 USER MOD Set 2.3: A 28 SER OG : rot 146:sc= 0.0317 USER MOD Single : A 1 ALA N :NH3+ 179:sc= 0 (180deg=-0.00109) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.32) USER MOD Single : A 23 SER OG : rot -107:sc= 1.21 USER MOD Single : A 25 ASN : amide:sc= -1.21 K(o=-1.2,f=-12!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 117:sc= -0.57 USER MOD Single : A 36 SER OG : rot -69:sc= 0.425 USER MOD Single : A 37 SER OG : rot -33:sc= 0.188 USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= -3.29! (180deg=-5.07!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 42 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.1!) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= -0.0112 (180deg=-0.128) USER MOD Single : A 52 GLN : amide:sc= -2.68 X(o=-2.7,f=-3.2) USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= -0.17 (180deg=-0.763) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 68 LYS NZ :NH3+ -110:sc= -0.039 (180deg=-3.92!) USER MOD Single : A 69 ASN : amide:sc= -4.9! C(o=-4.9!,f=-6.2!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.334 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0283) USER MOD Single : A 91 THR OG1 : rot -71:sc= -0.306 USER MOD Single : A 96 LYS NZ :NH3+ 166:sc= -0.561 (180deg=-0.853) USER MOD Single : A 104 SER OG : rot -19:sc= 0.068 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.042 -0.356 -2.355 1.00 60.11 N ATOM 2 CA ALA A 1 1.300 0.206 -2.443 1.00 61.11 C ATOM 3 C ALA A 1 2.360 -0.883 -2.321 1.00 64.21 C ATOM 4 O ALA A 1 3.311 -0.753 -1.550 1.00 5.21 O ATOM 5 CB ALA A 1 1.501 1.263 -1.368 1.00 12.52 C ATOM 0 H1 ALA A 1 -0.744 0.408 -2.424 1.00 60.11 H new ATOM 0 H2 ALA A 1 -0.187 -1.031 -3.133 1.00 60.11 H new ATOM 0 H3 ALA A 1 -0.154 -0.847 -1.445 1.00 60.11 H new ATOM 0 HA ALA A 1 1.408 0.674 -3.422 1.00 61.11 H new ATOM 0 HB1 ALA A 1 2.508 1.674 -1.446 1.00 12.52 H new ATOM 0 HB2 ALA A 1 0.771 2.062 -1.502 1.00 12.52 H new ATOM 0 HB3 ALA A 1 1.368 0.812 -0.385 1.00 12.52 H new ATOM 11 N ILE A 2 2.190 -1.956 -3.086 1.00 21.54 N ATOM 12 CA ILE A 2 3.133 -3.068 -3.063 1.00 2.43 C ATOM 13 C ILE A 2 4.410 -2.721 -3.822 1.00 35.13 C ATOM 14 O ILE A 2 5.482 -3.252 -3.531 1.00 42.21 O ATOM 15 CB ILE A 2 2.517 -4.341 -3.671 1.00 23.51 C ATOM 16 CG1 ILE A 2 3.546 -5.474 -3.687 1.00 42.13 C ATOM 17 CG2 ILE A 2 2.005 -4.063 -5.076 1.00 64.23 C ATOM 18 CD1 ILE A 2 4.114 -5.794 -2.322 1.00 71.24 C ATOM 0 H ILE A 2 1.408 -2.079 -3.729 1.00 21.54 H new ATOM 0 HA ILE A 2 3.375 -3.256 -2.017 1.00 2.43 H new ATOM 0 HB ILE A 2 1.674 -4.650 -3.053 1.00 23.51 H new ATOM 0 HG12 ILE A 2 3.081 -6.370 -4.097 1.00 42.13 H new ATOM 0 HG13 ILE A 2 4.362 -5.203 -4.357 1.00 42.13 H new ATOM 0 HG21 ILE A 2 1.572 -4.973 -5.492 1.00 64.23 H new ATOM 0 HG22 ILE A 2 1.244 -3.284 -5.038 1.00 64.23 H new ATOM 0 HG23 ILE A 2 2.831 -3.733 -5.706 1.00 64.23 H new ATOM 0 HD11 ILE A 2 4.836 -6.606 -2.410 1.00 71.24 H new ATOM 0 HD12 ILE A 2 4.608 -4.911 -1.917 1.00 71.24 H new ATOM 0 HD13 ILE A 2 3.307 -6.096 -1.654 1.00 71.24 H new ATOM 30 N THR A 3 4.287 -1.825 -4.796 1.00 44.12 N ATOM 31 CA THR A 3 5.431 -1.406 -5.597 1.00 74.12 C ATOM 32 C THR A 3 6.566 -0.902 -4.714 1.00 13.54 C ATOM 33 O THR A 3 7.733 -0.944 -5.102 1.00 42.51 O ATOM 34 CB THR A 3 5.042 -0.300 -6.596 1.00 12.32 C ATOM 35 OG1 THR A 3 4.548 0.845 -5.891 1.00 71.21 O ATOM 36 CG2 THR A 3 3.984 -0.797 -7.570 1.00 25.01 C ATOM 0 H THR A 3 3.407 -1.376 -5.049 1.00 44.12 H new ATOM 0 HA THR A 3 5.768 -2.283 -6.150 1.00 74.12 H new ATOM 0 HB THR A 3 5.932 -0.023 -7.161 1.00 12.32 H new ATOM 0 HG1 THR A 3 4.304 1.544 -6.533 1.00 71.21 H new ATOM 0 HG21 THR A 3 3.726 0.002 -8.265 1.00 25.01 H new ATOM 0 HG22 THR A 3 4.373 -1.650 -8.126 1.00 25.01 H new ATOM 0 HG23 THR A 3 3.094 -1.099 -7.018 1.00 25.01 H new ATOM 44 N ASP A 4 6.216 -0.425 -3.524 1.00 31.42 N ATOM 45 CA ASP A 4 7.206 0.086 -2.584 1.00 5.04 C ATOM 46 C ASP A 4 8.287 -0.956 -2.313 1.00 3.14 C ATOM 47 O ASP A 4 9.416 -0.616 -1.956 1.00 14.42 O ATOM 48 CB ASP A 4 6.533 0.494 -1.272 1.00 64.31 C ATOM 49 CG ASP A 4 5.883 1.861 -1.355 1.00 64.25 C ATOM 50 OD1 ASP A 4 5.937 2.478 -2.440 1.00 31.52 O ATOM 51 OD2 ASP A 4 5.322 2.314 -0.336 1.00 41.51 O ATOM 0 H ASP A 4 5.254 -0.382 -3.188 1.00 31.42 H new ATOM 0 HA ASP A 4 7.675 0.963 -3.030 1.00 5.04 H new ATOM 0 HB2 ASP A 4 5.779 -0.248 -1.008 1.00 64.31 H new ATOM 0 HB3 ASP A 4 7.274 0.495 -0.472 1.00 64.31 H new ATOM 56 N ILE A 5 7.934 -2.225 -2.483 1.00 61.44 N ATOM 57 CA ILE A 5 8.874 -3.316 -2.257 1.00 71.32 C ATOM 58 C ILE A 5 9.210 -4.032 -3.561 1.00 42.53 C ATOM 59 O ILE A 5 10.375 -4.118 -3.952 1.00 61.22 O ATOM 60 CB ILE A 5 8.316 -4.341 -1.252 1.00 74.11 C ATOM 61 CG1 ILE A 5 7.352 -3.660 -0.278 1.00 40.11 C ATOM 62 CG2 ILE A 5 9.451 -5.016 -0.497 1.00 44.53 C ATOM 63 CD1 ILE A 5 6.834 -4.582 0.803 1.00 34.11 C ATOM 0 H ILE A 5 7.004 -2.523 -2.777 1.00 61.44 H new ATOM 0 HA ILE A 5 9.780 -2.871 -1.845 1.00 71.32 H new ATOM 0 HB ILE A 5 7.768 -5.105 -1.803 1.00 74.11 H new ATOM 0 HG12 ILE A 5 7.857 -2.814 0.188 1.00 40.11 H new ATOM 0 HG13 ILE A 5 6.507 -3.258 -0.837 1.00 40.11 H new ATOM 0 HG21 ILE A 5 9.040 -5.737 0.209 1.00 44.53 H new ATOM 0 HG22 ILE A 5 10.103 -5.530 -1.203 1.00 44.53 H new ATOM 0 HG23 ILE A 5 10.025 -4.264 0.045 1.00 44.53 H new ATOM 0 HD11 ILE A 5 6.157 -4.032 1.456 1.00 34.11 H new ATOM 0 HD12 ILE A 5 6.300 -5.415 0.346 1.00 34.11 H new ATOM 0 HD13 ILE A 5 7.671 -4.964 1.387 1.00 34.11 H new ATOM 75 N LEU A 6 8.183 -4.541 -4.232 1.00 30.21 N ATOM 76 CA LEU A 6 8.369 -5.248 -5.495 1.00 15.24 C ATOM 77 C LEU A 6 8.458 -4.267 -6.659 1.00 63.14 C ATOM 78 O LEU A 6 8.371 -3.054 -6.471 1.00 10.15 O ATOM 79 CB LEU A 6 7.218 -6.229 -5.727 1.00 11.24 C ATOM 80 CG LEU A 6 7.509 -7.694 -5.399 1.00 54.22 C ATOM 81 CD1 LEU A 6 8.020 -7.831 -3.974 1.00 0.15 C ATOM 82 CD2 LEU A 6 6.263 -8.544 -5.605 1.00 1.40 C ATOM 0 H LEU A 6 7.213 -4.478 -3.923 1.00 30.21 H new ATOM 0 HA LEU A 6 9.306 -5.803 -5.439 1.00 15.24 H new ATOM 0 HB2 LEU A 6 6.366 -5.906 -5.129 1.00 11.24 H new ATOM 0 HB3 LEU A 6 6.917 -6.164 -6.773 1.00 11.24 H new ATOM 0 HG LEU A 6 8.285 -8.051 -6.077 1.00 54.22 H new ATOM 0 HD11 LEU A 6 8.221 -8.880 -3.759 1.00 0.15 H new ATOM 0 HD12 LEU A 6 8.938 -7.254 -3.860 1.00 0.15 H new ATOM 0 HD13 LEU A 6 7.267 -7.457 -3.280 1.00 0.15 H new ATOM 0 HD21 LEU A 6 6.488 -9.584 -5.367 1.00 1.40 H new ATOM 0 HD22 LEU A 6 5.467 -8.187 -4.952 1.00 1.40 H new ATOM 0 HD23 LEU A 6 5.941 -8.471 -6.644 1.00 1.40 H new ATOM 94 N SER A 7 8.631 -4.801 -7.864 1.00 63.31 N ATOM 95 CA SER A 7 8.734 -3.973 -9.060 1.00 24.21 C ATOM 96 C SER A 7 7.591 -4.268 -10.025 1.00 74.45 C ATOM 97 O SER A 7 7.376 -5.415 -10.419 1.00 11.44 O ATOM 98 CB SER A 7 10.077 -4.208 -9.755 1.00 30.43 C ATOM 99 OG SER A 7 11.014 -3.203 -9.408 1.00 33.31 O ATOM 0 H SER A 7 8.703 -5.804 -8.038 1.00 63.31 H new ATOM 0 HA SER A 7 8.669 -2.929 -8.755 1.00 24.21 H new ATOM 0 HB2 SER A 7 10.468 -5.186 -9.476 1.00 30.43 H new ATOM 0 HB3 SER A 7 9.934 -4.219 -10.836 1.00 30.43 H new ATOM 0 HG SER A 7 11.864 -3.377 -9.864 1.00 33.31 H new ATOM 105 N ALA A 8 6.859 -3.225 -10.403 1.00 44.03 N ATOM 106 CA ALA A 8 5.739 -3.371 -11.324 1.00 12.30 C ATOM 107 C ALA A 8 6.212 -3.845 -12.694 1.00 32.22 C ATOM 108 O ALA A 8 5.426 -4.360 -13.490 1.00 10.41 O ATOM 109 CB ALA A 8 4.985 -2.055 -11.450 1.00 70.13 C ATOM 0 H ALA A 8 7.022 -2.270 -10.085 1.00 44.03 H new ATOM 0 HA ALA A 8 5.065 -4.127 -10.920 1.00 12.30 H new ATOM 0 HB1 ALA A 8 4.151 -2.178 -12.141 1.00 70.13 H new ATOM 0 HB2 ALA A 8 4.605 -1.758 -10.472 1.00 70.13 H new ATOM 0 HB3 ALA A 8 5.658 -1.285 -11.827 1.00 70.13 H new ATOM 115 N LYS A 9 7.501 -3.669 -12.963 1.00 51.32 N ATOM 116 CA LYS A 9 8.080 -4.079 -14.237 1.00 20.12 C ATOM 117 C LYS A 9 8.695 -5.471 -14.132 1.00 34.23 C ATOM 118 O LYS A 9 9.278 -5.977 -15.091 1.00 12.31 O ATOM 119 CB LYS A 9 9.143 -3.073 -14.685 1.00 32.41 C ATOM 120 CG LYS A 9 9.262 -2.946 -16.194 1.00 24.42 C ATOM 121 CD LYS A 9 10.083 -1.730 -16.588 1.00 11.22 C ATOM 122 CE LYS A 9 10.771 -1.932 -17.929 1.00 25.32 C ATOM 123 NZ LYS A 9 11.734 -0.836 -18.229 1.00 72.43 N ATOM 0 H LYS A 9 8.165 -3.245 -12.315 1.00 51.32 H new ATOM 0 HA LYS A 9 7.281 -4.109 -14.978 1.00 20.12 H new ATOM 0 HB2 LYS A 9 8.907 -2.096 -14.264 1.00 32.41 H new ATOM 0 HB3 LYS A 9 10.109 -3.371 -14.277 1.00 32.41 H new ATOM 0 HG2 LYS A 9 9.724 -3.846 -16.600 1.00 24.42 H new ATOM 0 HG3 LYS A 9 8.267 -2.872 -16.633 1.00 24.42 H new ATOM 0 HD2 LYS A 9 9.436 -0.854 -16.638 1.00 11.22 H new ATOM 0 HD3 LYS A 9 10.831 -1.531 -15.821 1.00 11.22 H new ATOM 0 HE2 LYS A 9 11.297 -2.887 -17.927 1.00 25.32 H new ATOM 0 HE3 LYS A 9 10.021 -1.982 -18.718 1.00 25.32 H new ATOM 0 HZ1 LYS A 9 12.182 -1.010 -19.151 1.00 72.43 H new ATOM 0 HZ2 LYS A 9 11.229 0.073 -18.256 1.00 72.43 H new ATOM 0 HZ3 LYS A 9 12.465 -0.804 -17.490 1.00 72.43 H new ATOM 137 N ASP A 10 8.559 -6.086 -12.962 1.00 10.11 N ATOM 138 CA ASP A 10 9.099 -7.421 -12.733 1.00 32.14 C ATOM 139 C ASP A 10 7.990 -8.398 -12.354 1.00 10.25 C ATOM 140 O ASP A 10 8.051 -9.581 -12.688 1.00 22.42 O ATOM 141 CB ASP A 10 10.160 -7.383 -11.632 1.00 63.11 C ATOM 142 CG ASP A 10 11.351 -6.522 -12.005 1.00 53.23 C ATOM 143 OD1 ASP A 10 11.139 -5.356 -12.399 1.00 44.55 O ATOM 144 OD2 ASP A 10 12.494 -7.014 -11.903 1.00 12.55 O ATOM 0 H ASP A 10 8.080 -5.681 -12.158 1.00 10.11 H new ATOM 0 HA ASP A 10 9.560 -7.764 -13.659 1.00 32.14 H new ATOM 0 HB2 ASP A 10 9.713 -7.002 -10.714 1.00 63.11 H new ATOM 0 HB3 ASP A 10 10.500 -8.398 -11.424 1.00 63.11 H new ATOM 149 N ILE A 11 6.979 -7.894 -11.654 1.00 31.54 N ATOM 150 CA ILE A 11 5.857 -8.723 -11.229 1.00 40.34 C ATOM 151 C ILE A 11 5.145 -9.340 -12.428 1.00 51.44 C ATOM 152 O ILE A 11 5.098 -10.561 -12.574 1.00 1.43 O ATOM 153 CB ILE A 11 4.840 -7.913 -10.403 1.00 62.04 C ATOM 154 CG1 ILE A 11 5.488 -7.402 -9.115 1.00 44.43 C ATOM 155 CG2 ILE A 11 3.619 -8.763 -10.087 1.00 15.32 C ATOM 156 CD1 ILE A 11 4.875 -6.119 -8.598 1.00 30.31 C ATOM 0 H ILE A 11 6.914 -6.917 -11.369 1.00 31.54 H new ATOM 0 HA ILE A 11 6.269 -9.517 -10.606 1.00 40.34 H new ATOM 0 HB ILE A 11 4.518 -7.053 -10.991 1.00 62.04 H new ATOM 0 HG12 ILE A 11 5.405 -8.170 -8.346 1.00 44.43 H new ATOM 0 HG13 ILE A 11 6.552 -7.242 -9.292 1.00 44.43 H new ATOM 0 HG21 ILE A 11 2.909 -8.177 -9.503 1.00 15.32 H new ATOM 0 HG22 ILE A 11 3.148 -9.083 -11.016 1.00 15.32 H new ATOM 0 HG23 ILE A 11 3.924 -9.639 -9.515 1.00 15.32 H new ATOM 0 HD11 ILE A 11 5.384 -5.816 -7.683 1.00 30.31 H new ATOM 0 HD12 ILE A 11 4.982 -5.336 -9.349 1.00 30.31 H new ATOM 0 HD13 ILE A 11 3.817 -6.279 -8.389 1.00 30.31 H new ATOM 168 N GLU A 12 4.593 -8.486 -13.286 1.00 22.34 N ATOM 169 CA GLU A 12 3.884 -8.948 -14.473 1.00 63.41 C ATOM 170 C GLU A 12 4.787 -9.820 -15.341 1.00 45.34 C ATOM 171 O GLU A 12 4.330 -10.776 -15.968 1.00 1.44 O ATOM 172 CB GLU A 12 3.373 -7.757 -15.285 1.00 41.42 C ATOM 173 CG GLU A 12 2.301 -6.949 -14.573 1.00 21.44 C ATOM 174 CD GLU A 12 2.066 -5.596 -15.215 1.00 71.33 C ATOM 175 OE1 GLU A 12 1.337 -5.540 -16.228 1.00 42.11 O ATOM 176 OE2 GLU A 12 2.610 -4.594 -14.706 1.00 61.33 O ATOM 0 H GLU A 12 4.624 -7.472 -13.181 1.00 22.34 H new ATOM 0 HA GLU A 12 3.034 -9.547 -14.147 1.00 63.41 H new ATOM 0 HB2 GLU A 12 4.212 -7.103 -15.521 1.00 41.42 H new ATOM 0 HB3 GLU A 12 2.974 -8.119 -16.233 1.00 41.42 H new ATOM 0 HG2 GLU A 12 1.368 -7.513 -14.571 1.00 21.44 H new ATOM 0 HG3 GLU A 12 2.590 -6.807 -13.532 1.00 21.44 H new ATOM 183 N SER A 13 6.073 -9.481 -15.374 1.00 35.43 N ATOM 184 CA SER A 13 7.040 -10.229 -16.168 1.00 60.32 C ATOM 185 C SER A 13 7.433 -11.525 -15.466 1.00 65.40 C ATOM 186 O SER A 13 8.189 -12.333 -16.007 1.00 14.41 O ATOM 187 CB SER A 13 8.285 -9.379 -16.428 1.00 13.50 C ATOM 188 OG SER A 13 8.012 -8.347 -17.360 1.00 52.13 O ATOM 0 H SER A 13 6.468 -8.694 -14.860 1.00 35.43 H new ATOM 0 HA SER A 13 6.574 -10.479 -17.121 1.00 60.32 H new ATOM 0 HB2 SER A 13 8.635 -8.944 -15.491 1.00 13.50 H new ATOM 0 HB3 SER A 13 9.089 -10.011 -16.806 1.00 13.50 H new ATOM 0 HG SER A 13 8.823 -7.817 -17.508 1.00 52.13 H new ATOM 194 N ALA A 14 6.915 -11.717 -14.257 1.00 45.22 N ATOM 195 CA ALA A 14 7.210 -12.915 -13.481 1.00 2.22 C ATOM 196 C ALA A 14 5.994 -13.831 -13.402 1.00 15.34 C ATOM 197 O ALA A 14 6.118 -15.023 -13.118 1.00 45.12 O ATOM 198 CB ALA A 14 7.680 -12.536 -12.084 1.00 60.21 C ATOM 0 H ALA A 14 6.289 -11.058 -13.794 1.00 45.22 H new ATOM 0 HA ALA A 14 8.009 -13.458 -13.986 1.00 2.22 H new ATOM 0 HB1 ALA A 14 7.897 -13.440 -11.515 1.00 60.21 H new ATOM 0 HB2 ALA A 14 8.582 -11.928 -12.156 1.00 60.21 H new ATOM 0 HB3 ALA A 14 6.899 -11.968 -11.579 1.00 60.21 H new ATOM 204 N LEU A 15 4.817 -13.267 -13.653 1.00 2.12 N ATOM 205 CA LEU A 15 3.577 -14.033 -13.609 1.00 74.22 C ATOM 206 C LEU A 15 3.509 -15.025 -14.766 1.00 34.53 C ATOM 207 O LEU A 15 3.318 -16.224 -14.558 1.00 41.32 O ATOM 208 CB LEU A 15 2.371 -13.093 -13.658 1.00 2.34 C ATOM 209 CG LEU A 15 1.864 -12.581 -12.309 1.00 25.13 C ATOM 210 CD1 LEU A 15 0.712 -11.609 -12.505 1.00 50.55 C ATOM 211 CD2 LEU A 15 1.439 -13.743 -11.423 1.00 71.22 C ATOM 0 H LEU A 15 4.696 -12.282 -13.889 1.00 2.12 H new ATOM 0 HA LEU A 15 3.557 -14.591 -12.673 1.00 74.22 H new ATOM 0 HB2 LEU A 15 2.630 -12.233 -14.276 1.00 2.34 H new ATOM 0 HB3 LEU A 15 1.553 -13.610 -14.159 1.00 2.34 H new ATOM 0 HG LEU A 15 2.678 -12.052 -11.814 1.00 25.13 H new ATOM 0 HD11 LEU A 15 0.365 -11.256 -11.534 1.00 50.55 H new ATOM 0 HD12 LEU A 15 1.049 -10.761 -13.101 1.00 50.55 H new ATOM 0 HD13 LEU A 15 -0.105 -12.113 -13.021 1.00 50.55 H new ATOM 0 HD21 LEU A 15 1.081 -13.360 -10.467 1.00 71.22 H new ATOM 0 HD22 LEU A 15 0.640 -14.301 -11.912 1.00 71.22 H new ATOM 0 HD23 LEU A 15 2.291 -14.402 -11.254 1.00 71.22 H new ATOM 223 N SER A 16 3.668 -14.518 -15.984 1.00 32.30 N ATOM 224 CA SER A 16 3.623 -15.360 -17.174 1.00 51.31 C ATOM 225 C SER A 16 5.029 -15.765 -17.606 1.00 51.34 C ATOM 226 O SER A 16 5.278 -16.021 -18.784 1.00 45.33 O ATOM 227 CB SER A 16 2.917 -14.627 -18.316 1.00 41.45 C ATOM 228 OG SER A 16 1.777 -15.344 -18.756 1.00 32.35 O ATOM 0 H SER A 16 3.829 -13.529 -16.173 1.00 32.30 H new ATOM 0 HA SER A 16 3.063 -16.263 -16.930 1.00 51.31 H new ATOM 0 HB2 SER A 16 2.619 -13.632 -17.984 1.00 41.45 H new ATOM 0 HB3 SER A 16 3.608 -14.492 -19.148 1.00 41.45 H new ATOM 0 HG SER A 16 1.343 -14.853 -19.485 1.00 32.35 H new ATOM 234 N SER A 17 5.944 -15.820 -16.644 1.00 61.31 N ATOM 235 CA SER A 17 7.326 -16.190 -16.924 1.00 65.23 C ATOM 236 C SER A 17 7.536 -17.690 -16.738 1.00 1.23 C ATOM 237 O SER A 17 8.105 -18.360 -17.600 1.00 23.10 O ATOM 238 CB SER A 17 8.279 -15.413 -16.014 1.00 21.34 C ATOM 239 OG SER A 17 9.265 -16.267 -15.460 1.00 63.21 O ATOM 0 H SER A 17 5.753 -15.613 -15.664 1.00 61.31 H new ATOM 0 HA SER A 17 7.540 -15.937 -17.962 1.00 65.23 H new ATOM 0 HB2 SER A 17 8.760 -14.617 -16.582 1.00 21.34 H new ATOM 0 HB3 SER A 17 7.714 -14.937 -15.213 1.00 21.34 H new ATOM 0 HG SER A 17 9.862 -15.746 -14.884 1.00 63.21 H new ATOM 245 N CYS A 18 7.072 -18.209 -15.606 1.00 64.15 N ATOM 246 CA CYS A 18 7.209 -19.630 -15.305 1.00 1.43 C ATOM 247 C CYS A 18 5.989 -20.408 -15.786 1.00 52.43 C ATOM 248 O CYS A 18 5.487 -21.287 -15.087 1.00 71.33 O ATOM 249 CB CYS A 18 7.400 -19.837 -13.802 1.00 5.24 C ATOM 250 SG CYS A 18 8.645 -18.755 -13.060 1.00 14.42 S ATOM 0 H CYS A 18 6.598 -17.668 -14.883 1.00 64.15 H new ATOM 0 HA CYS A 18 8.087 -20.005 -15.831 1.00 1.43 H new ATOM 0 HB2 CYS A 18 6.447 -19.674 -13.300 1.00 5.24 H new ATOM 0 HB3 CYS A 18 7.682 -20.874 -13.622 1.00 5.24 H new ATOM 0 HG CYS A 18 9.793 -19.365 -13.038 1.00 14.42 H new ATOM 256 N GLN A 19 5.517 -20.076 -16.984 1.00 14.34 N ATOM 257 CA GLN A 19 4.353 -20.742 -17.557 1.00 64.20 C ATOM 258 C GLN A 19 4.774 -21.756 -18.616 1.00 31.01 C ATOM 259 O GLN A 19 4.076 -22.740 -18.859 1.00 11.01 O ATOM 260 CB GLN A 19 3.400 -19.714 -18.168 1.00 61.05 C ATOM 261 CG GLN A 19 2.541 -18.994 -17.141 1.00 62.42 C ATOM 262 CD GLN A 19 1.770 -19.950 -16.253 1.00 20.44 C ATOM 263 OE1 GLN A 19 0.821 -20.598 -16.695 1.00 32.33 O ATOM 264 NE2 GLN A 19 2.175 -20.044 -14.991 1.00 52.24 N ATOM 0 H GLN A 19 5.922 -19.351 -17.576 1.00 14.34 H new ATOM 0 HA GLN A 19 3.838 -21.272 -16.756 1.00 64.20 H new ATOM 0 HB2 GLN A 19 3.981 -18.978 -18.724 1.00 61.05 H new ATOM 0 HB3 GLN A 19 2.750 -20.215 -18.886 1.00 61.05 H new ATOM 0 HG2 GLN A 19 3.176 -18.361 -16.522 1.00 62.42 H new ATOM 0 HG3 GLN A 19 1.840 -18.337 -17.656 1.00 62.42 H new ATOM 0 HE21 GLN A 19 2.966 -19.488 -14.667 1.00 52.24 H new ATOM 0 HE22 GLN A 19 1.694 -20.672 -14.347 1.00 52.24 H new ATOM 273 N ALA A 20 5.919 -21.509 -19.243 1.00 41.53 N ATOM 274 CA ALA A 20 6.433 -22.401 -20.275 1.00 3.40 C ATOM 275 C ALA A 20 7.093 -23.630 -19.659 1.00 13.10 C ATOM 276 O ALA A 20 7.096 -23.799 -18.440 1.00 44.40 O ATOM 277 CB ALA A 20 7.419 -21.662 -21.168 1.00 23.01 C ATOM 0 H ALA A 20 6.509 -20.698 -19.054 1.00 41.53 H new ATOM 0 HA ALA A 20 5.592 -22.738 -20.881 1.00 3.40 H new ATOM 0 HB1 ALA A 20 7.795 -22.340 -21.934 1.00 23.01 H new ATOM 0 HB2 ALA A 20 6.918 -20.819 -21.644 1.00 23.01 H new ATOM 0 HB3 ALA A 20 8.251 -21.297 -20.567 1.00 23.01 H new ATOM 283 N ALA A 21 7.649 -24.486 -20.510 1.00 30.13 N ATOM 284 CA ALA A 21 8.312 -25.699 -20.048 1.00 63.24 C ATOM 285 C ALA A 21 9.791 -25.446 -19.773 1.00 14.30 C ATOM 286 O ALA A 21 10.433 -26.198 -19.040 1.00 62.02 O ATOM 287 CB ALA A 21 8.148 -26.813 -21.072 1.00 54.20 C ATOM 0 H ALA A 21 7.653 -24.362 -21.522 1.00 30.13 H new ATOM 0 HA ALA A 21 7.842 -26.006 -19.114 1.00 63.24 H new ATOM 0 HB1 ALA A 21 8.648 -27.713 -20.714 1.00 54.20 H new ATOM 0 HB2 ALA A 21 7.088 -27.020 -21.217 1.00 54.20 H new ATOM 0 HB3 ALA A 21 8.590 -26.505 -22.019 1.00 54.20 H new ATOM 293 N ASP A 22 10.324 -24.383 -20.365 1.00 10.11 N ATOM 294 CA ASP A 22 11.727 -24.030 -20.183 1.00 22.11 C ATOM 295 C ASP A 22 11.915 -22.516 -20.208 1.00 73.34 C ATOM 296 O ASP A 22 12.783 -22.000 -20.912 1.00 73.22 O ATOM 297 CB ASP A 22 12.584 -24.681 -21.270 1.00 10.01 C ATOM 298 CG ASP A 22 13.980 -25.018 -20.783 1.00 14.31 C ATOM 299 OD1 ASP A 22 14.101 -25.588 -19.679 1.00 13.34 O ATOM 300 OD2 ASP A 22 14.951 -24.711 -21.506 1.00 11.44 O ATOM 0 H ASP A 22 9.806 -23.751 -20.975 1.00 10.11 H new ATOM 0 HA ASP A 22 12.046 -24.401 -19.209 1.00 22.11 H new ATOM 0 HB2 ASP A 22 12.095 -25.591 -21.618 1.00 10.01 H new ATOM 0 HB3 ASP A 22 12.653 -24.009 -22.125 1.00 10.01 H new ATOM 305 N SER A 23 11.094 -21.810 -19.437 1.00 22.40 N ATOM 306 CA SER A 23 11.166 -20.355 -19.375 1.00 22.32 C ATOM 307 C SER A 23 11.799 -19.898 -18.064 1.00 21.30 C ATOM 308 O SER A 23 12.457 -18.859 -18.008 1.00 30.10 O ATOM 309 CB SER A 23 9.770 -19.748 -19.519 1.00 55.21 C ATOM 310 OG SER A 23 9.827 -18.332 -19.521 1.00 40.12 O ATOM 0 H SER A 23 10.371 -22.222 -18.847 1.00 22.40 H new ATOM 0 HA SER A 23 11.791 -20.011 -20.199 1.00 22.32 H new ATOM 0 HB2 SER A 23 9.312 -20.098 -20.444 1.00 55.21 H new ATOM 0 HB3 SER A 23 9.136 -20.088 -18.700 1.00 55.21 H new ATOM 0 HG SER A 23 9.481 -17.989 -18.670 1.00 40.12 H new ATOM 316 N PHE A 24 11.595 -20.682 -17.011 1.00 30.53 N ATOM 317 CA PHE A 24 12.144 -20.359 -15.699 1.00 70.10 C ATOM 318 C PHE A 24 13.491 -21.045 -15.489 1.00 52.11 C ATOM 319 O PHE A 24 13.561 -22.144 -14.941 1.00 72.23 O ATOM 320 CB PHE A 24 11.169 -20.778 -14.597 1.00 55.20 C ATOM 321 CG PHE A 24 11.619 -20.389 -13.218 1.00 63.00 C ATOM 322 CD1 PHE A 24 12.051 -19.099 -12.954 1.00 34.02 C ATOM 323 CD2 PHE A 24 11.611 -21.313 -12.186 1.00 21.31 C ATOM 324 CE1 PHE A 24 12.467 -18.739 -11.686 1.00 34.10 C ATOM 325 CE2 PHE A 24 12.026 -20.959 -10.916 1.00 14.13 C ATOM 326 CZ PHE A 24 12.453 -19.670 -10.665 1.00 51.34 C ATOM 0 H PHE A 24 11.053 -21.546 -17.040 1.00 30.53 H new ATOM 0 HA PHE A 24 12.294 -19.280 -15.651 1.00 70.10 H new ATOM 0 HB2 PHE A 24 10.196 -20.328 -14.793 1.00 55.20 H new ATOM 0 HB3 PHE A 24 11.033 -21.859 -14.635 1.00 55.20 H new ATOM 0 HD1 PHE A 24 12.063 -18.367 -13.748 1.00 34.02 H new ATOM 0 HD2 PHE A 24 11.276 -22.322 -12.376 1.00 21.31 H new ATOM 0 HE1 PHE A 24 12.803 -17.731 -11.493 1.00 34.10 H new ATOM 0 HE2 PHE A 24 12.016 -21.690 -10.121 1.00 14.13 H new ATOM 0 HZ PHE A 24 12.775 -19.390 -9.673 1.00 51.34 H new ATOM 336 N ASN A 25 14.558 -20.387 -15.930 1.00 2.12 N ATOM 337 CA ASN A 25 15.904 -20.933 -15.792 1.00 15.23 C ATOM 338 C ASN A 25 16.764 -20.040 -14.903 1.00 23.21 C ATOM 339 O ASN A 25 16.284 -19.053 -14.346 1.00 12.12 O ATOM 340 CB ASN A 25 16.558 -21.086 -17.166 1.00 52.13 C ATOM 341 CG ASN A 25 17.008 -19.758 -17.743 1.00 45.22 C ATOM 342 OD1 ASN A 25 16.423 -18.713 -17.458 1.00 35.54 O ATOM 343 ND2 ASN A 25 18.055 -19.792 -18.560 1.00 73.43 N ATOM 0 H ASN A 25 14.517 -19.475 -16.386 1.00 2.12 H new ATOM 0 HA ASN A 25 15.825 -21.914 -15.324 1.00 15.23 H new ATOM 0 HB2 ASN A 25 17.416 -21.753 -17.085 1.00 52.13 H new ATOM 0 HB3 ASN A 25 15.852 -21.556 -17.851 1.00 52.13 H new ATOM 0 HD21 ASN A 25 18.404 -18.930 -18.978 1.00 73.43 H new ATOM 0 HD22 ASN A 25 18.510 -20.681 -18.769 1.00 73.43 H new ATOM 350 N TYR A 26 18.038 -20.394 -14.776 1.00 3.13 N ATOM 351 CA TYR A 26 18.966 -19.626 -13.954 1.00 21.45 C ATOM 352 C TYR A 26 18.903 -18.142 -14.301 1.00 72.34 C ATOM 353 O TYR A 26 19.109 -17.282 -13.445 1.00 44.12 O ATOM 354 CB TYR A 26 20.393 -20.145 -14.139 1.00 3.42 C ATOM 355 CG TYR A 26 20.776 -20.360 -15.586 1.00 21.44 C ATOM 356 CD1 TYR A 26 21.195 -19.300 -16.380 1.00 33.03 C ATOM 357 CD2 TYR A 26 20.720 -21.625 -16.158 1.00 70.30 C ATOM 358 CE1 TYR A 26 21.545 -19.493 -17.702 1.00 55.31 C ATOM 359 CE2 TYR A 26 21.069 -21.827 -17.479 1.00 64.53 C ATOM 360 CZ TYR A 26 21.480 -20.758 -18.247 1.00 65.12 C ATOM 361 OH TYR A 26 21.830 -20.954 -19.564 1.00 35.33 O ATOM 0 H TYR A 26 18.452 -21.208 -15.232 1.00 3.13 H new ATOM 0 HA TYR A 26 18.674 -19.748 -12.911 1.00 21.45 H new ATOM 0 HB2 TYR A 26 21.089 -19.437 -13.689 1.00 3.42 H new ATOM 0 HB3 TYR A 26 20.501 -21.086 -13.599 1.00 3.42 H new ATOM 0 HD1 TYR A 26 21.248 -18.308 -15.956 1.00 33.03 H new ATOM 0 HD2 TYR A 26 20.398 -22.464 -15.560 1.00 70.30 H new ATOM 0 HE1 TYR A 26 21.868 -18.658 -18.306 1.00 55.31 H new ATOM 0 HE2 TYR A 26 21.020 -22.817 -17.908 1.00 64.53 H new ATOM 0 HH TYR A 26 21.730 -21.902 -19.792 1.00 35.33 H new ATOM 371 N LYS A 27 18.615 -17.849 -15.565 1.00 32.30 N ATOM 372 CA LYS A 27 18.521 -16.470 -16.029 1.00 64.20 C ATOM 373 C LYS A 27 17.207 -15.835 -15.587 1.00 30.22 C ATOM 374 O LYS A 27 17.188 -14.712 -15.084 1.00 13.21 O ATOM 375 CB LYS A 27 18.639 -16.414 -17.554 1.00 25.52 C ATOM 376 CG LYS A 27 20.074 -16.398 -18.053 1.00 0.24 C ATOM 377 CD LYS A 27 20.602 -14.979 -18.183 1.00 64.14 C ATOM 378 CE LYS A 27 21.719 -14.893 -19.213 1.00 11.03 C ATOM 379 NZ LYS A 27 22.630 -13.746 -18.948 1.00 5.45 N ATOM 0 H LYS A 27 18.443 -18.549 -16.287 1.00 32.30 H new ATOM 0 HA LYS A 27 19.343 -15.908 -15.586 1.00 64.20 H new ATOM 0 HB2 LYS A 27 18.124 -17.274 -17.982 1.00 25.52 H new ATOM 0 HB3 LYS A 27 18.127 -15.523 -17.917 1.00 25.52 H new ATOM 0 HG2 LYS A 27 20.706 -16.961 -17.366 1.00 0.24 H new ATOM 0 HG3 LYS A 27 20.130 -16.898 -19.020 1.00 0.24 H new ATOM 0 HD2 LYS A 27 19.789 -14.312 -18.469 1.00 64.14 H new ATOM 0 HD3 LYS A 27 20.970 -14.636 -17.216 1.00 64.14 H new ATOM 0 HE2 LYS A 27 22.291 -15.821 -19.206 1.00 11.03 H new ATOM 0 HE3 LYS A 27 21.288 -14.792 -20.209 1.00 11.03 H new ATOM 0 HZ1 LYS A 27 23.377 -13.722 -19.671 1.00 5.45 H new ATOM 0 HZ2 LYS A 27 22.089 -12.858 -18.979 1.00 5.45 H new ATOM 0 HZ3 LYS A 27 23.061 -13.855 -18.008 1.00 5.45 H new ATOM 393 N SER A 28 16.110 -16.562 -15.776 1.00 64.14 N ATOM 394 CA SER A 28 14.791 -16.068 -15.399 1.00 23.41 C ATOM 395 C SER A 28 14.721 -15.799 -13.899 1.00 12.11 C ATOM 396 O SER A 28 14.060 -14.859 -13.456 1.00 20.44 O ATOM 397 CB SER A 28 13.712 -17.077 -15.799 1.00 5.13 C ATOM 398 OG SER A 28 12.500 -16.422 -16.130 1.00 21.20 O ATOM 0 H SER A 28 16.109 -17.495 -16.188 1.00 64.14 H new ATOM 0 HA SER A 28 14.616 -15.131 -15.927 1.00 23.41 H new ATOM 0 HB2 SER A 28 14.056 -17.664 -16.650 1.00 5.13 H new ATOM 0 HB3 SER A 28 13.540 -17.775 -14.979 1.00 5.13 H new ATOM 0 HG SER A 28 12.044 -16.917 -16.842 1.00 21.20 H new ATOM 404 N PHE A 29 15.407 -16.630 -13.122 1.00 31.51 N ATOM 405 CA PHE A 29 15.422 -16.484 -11.671 1.00 44.11 C ATOM 406 C PHE A 29 16.000 -15.130 -11.267 1.00 74.43 C ATOM 407 O PHE A 29 15.721 -14.623 -10.181 1.00 34.13 O ATOM 408 CB PHE A 29 16.238 -17.610 -11.032 1.00 51.12 C ATOM 409 CG PHE A 29 16.475 -17.418 -9.561 1.00 60.25 C ATOM 410 CD1 PHE A 29 17.535 -16.648 -9.112 1.00 24.11 C ATOM 411 CD2 PHE A 29 15.638 -18.009 -8.629 1.00 12.44 C ATOM 412 CE1 PHE A 29 17.756 -16.469 -7.759 1.00 63.31 C ATOM 413 CE2 PHE A 29 15.853 -17.833 -7.275 1.00 24.02 C ATOM 414 CZ PHE A 29 16.915 -17.063 -6.839 1.00 74.55 C ATOM 0 H PHE A 29 15.960 -17.412 -13.473 1.00 31.51 H new ATOM 0 HA PHE A 29 14.394 -16.542 -11.314 1.00 44.11 H new ATOM 0 HB2 PHE A 29 15.721 -18.557 -11.188 1.00 51.12 H new ATOM 0 HB3 PHE A 29 17.199 -17.685 -11.540 1.00 51.12 H new ATOM 0 HD1 PHE A 29 18.197 -16.182 -9.827 1.00 24.11 H new ATOM 0 HD2 PHE A 29 14.808 -18.614 -8.964 1.00 12.44 H new ATOM 0 HE1 PHE A 29 18.586 -15.865 -7.422 1.00 63.31 H new ATOM 0 HE2 PHE A 29 15.192 -18.297 -6.558 1.00 24.02 H new ATOM 0 HZ PHE A 29 17.086 -16.926 -5.781 1.00 74.55 H new ATOM 424 N PHE A 30 16.806 -14.551 -12.150 1.00 44.10 N ATOM 425 CA PHE A 30 17.425 -13.257 -11.886 1.00 50.11 C ATOM 426 C PHE A 30 16.469 -12.117 -12.228 1.00 65.51 C ATOM 427 O PHE A 30 16.433 -11.097 -11.541 1.00 53.43 O ATOM 428 CB PHE A 30 18.718 -13.112 -12.691 1.00 60.32 C ATOM 429 CG PHE A 30 19.740 -14.168 -12.379 1.00 72.12 C ATOM 430 CD1 PHE A 30 19.899 -14.636 -11.085 1.00 12.24 C ATOM 431 CD2 PHE A 30 20.541 -14.693 -13.380 1.00 72.23 C ATOM 432 CE1 PHE A 30 20.839 -15.607 -10.795 1.00 13.32 C ATOM 433 CE2 PHE A 30 21.482 -15.665 -13.097 1.00 2.44 C ATOM 434 CZ PHE A 30 21.631 -16.123 -11.802 1.00 54.41 C ATOM 0 H PHE A 30 17.046 -14.957 -13.054 1.00 44.10 H new ATOM 0 HA PHE A 30 17.660 -13.205 -10.823 1.00 50.11 H new ATOM 0 HB2 PHE A 30 18.481 -13.150 -13.754 1.00 60.32 H new ATOM 0 HB3 PHE A 30 19.150 -12.131 -12.496 1.00 60.32 H new ATOM 0 HD1 PHE A 30 19.281 -14.238 -10.294 1.00 12.24 H new ATOM 0 HD2 PHE A 30 20.429 -14.338 -14.394 1.00 72.23 H new ATOM 0 HE1 PHE A 30 20.954 -15.962 -9.782 1.00 13.32 H new ATOM 0 HE2 PHE A 30 22.100 -16.066 -13.887 1.00 2.44 H new ATOM 0 HZ PHE A 30 22.365 -16.883 -11.578 1.00 54.41 H new ATOM 444 N SER A 31 15.698 -12.300 -13.295 1.00 62.01 N ATOM 445 CA SER A 31 14.745 -11.286 -13.732 1.00 23.31 C ATOM 446 C SER A 31 13.360 -11.557 -13.152 1.00 62.25 C ATOM 447 O SER A 31 12.348 -11.119 -13.700 1.00 52.10 O ATOM 448 CB SER A 31 14.673 -11.249 -15.260 1.00 10.33 C ATOM 449 OG SER A 31 14.366 -9.945 -15.724 1.00 21.52 O ATOM 0 H SER A 31 15.714 -13.140 -13.873 1.00 62.01 H new ATOM 0 HA SER A 31 15.089 -10.318 -13.368 1.00 23.31 H new ATOM 0 HB2 SER A 31 15.625 -11.573 -15.680 1.00 10.33 H new ATOM 0 HB3 SER A 31 13.915 -11.951 -15.609 1.00 10.33 H new ATOM 0 HG SER A 31 14.327 -9.947 -16.703 1.00 21.52 H new ATOM 455 N THR A 32 13.323 -12.283 -12.040 1.00 32.55 N ATOM 456 CA THR A 32 12.063 -12.615 -11.385 1.00 45.11 C ATOM 457 C THR A 32 11.459 -11.392 -10.705 1.00 21.05 C ATOM 458 O THR A 32 12.136 -10.384 -10.501 1.00 22.33 O ATOM 459 CB THR A 32 12.250 -13.730 -10.339 1.00 63.34 C ATOM 460 OG1 THR A 32 13.230 -14.670 -10.795 1.00 4.32 O ATOM 461 CG2 THR A 32 10.936 -14.449 -10.074 1.00 61.34 C ATOM 0 H THR A 32 14.151 -12.653 -11.573 1.00 32.55 H new ATOM 0 HA THR A 32 11.385 -12.967 -12.163 1.00 45.11 H new ATOM 0 HB THR A 32 12.590 -13.273 -9.410 1.00 63.34 H new ATOM 0 HG1 THR A 32 13.995 -14.668 -10.182 1.00 4.32 H new ATOM 0 HG21 THR A 32 11.093 -15.232 -9.332 1.00 61.34 H new ATOM 0 HG22 THR A 32 10.201 -13.737 -9.700 1.00 61.34 H new ATOM 0 HG23 THR A 32 10.572 -14.894 -11.000 1.00 61.34 H new ATOM 469 N VAL A 33 10.180 -11.487 -10.354 1.00 23.10 N ATOM 470 CA VAL A 33 9.485 -10.389 -9.694 1.00 52.41 C ATOM 471 C VAL A 33 10.316 -9.821 -8.549 1.00 41.32 C ATOM 472 O VAL A 33 10.366 -8.608 -8.347 1.00 22.35 O ATOM 473 CB VAL A 33 8.117 -10.838 -9.147 1.00 61.30 C ATOM 474 CG1 VAL A 33 8.259 -12.122 -8.343 1.00 41.21 C ATOM 475 CG2 VAL A 33 7.493 -9.737 -8.303 1.00 61.21 C ATOM 0 H VAL A 33 9.605 -12.313 -10.516 1.00 23.10 H new ATOM 0 HA VAL A 33 9.331 -9.615 -10.446 1.00 52.41 H new ATOM 0 HB VAL A 33 7.455 -11.037 -9.990 1.00 61.30 H new ATOM 0 HG11 VAL A 33 7.283 -12.424 -7.964 1.00 41.21 H new ATOM 0 HG12 VAL A 33 8.660 -12.909 -8.982 1.00 41.21 H new ATOM 0 HG13 VAL A 33 8.937 -11.954 -7.506 1.00 41.21 H new ATOM 0 HG21 VAL A 33 6.527 -10.072 -7.925 1.00 61.21 H new ATOM 0 HG22 VAL A 33 8.150 -9.504 -7.465 1.00 61.21 H new ATOM 0 HG23 VAL A 33 7.354 -8.845 -8.914 1.00 61.21 H new ATOM 485 N GLY A 34 10.968 -10.707 -7.802 1.00 45.54 N ATOM 486 CA GLY A 34 11.790 -10.274 -6.687 1.00 33.53 C ATOM 487 C GLY A 34 11.326 -10.856 -5.366 1.00 14.21 C ATOM 488 O GLY A 34 12.140 -11.167 -4.496 1.00 31.33 O ATOM 0 H GLY A 34 10.942 -11.716 -7.949 1.00 45.54 H new ATOM 0 HA2 GLY A 34 12.824 -10.567 -6.867 1.00 33.53 H new ATOM 0 HA3 GLY A 34 11.773 -9.186 -6.627 1.00 33.53 H new ATOM 492 N LEU A 35 10.014 -11.001 -5.214 1.00 30.22 N ATOM 493 CA LEU A 35 9.442 -11.548 -3.988 1.00 52.32 C ATOM 494 C LEU A 35 10.125 -12.856 -3.605 1.00 21.44 C ATOM 495 O LEU A 35 10.655 -12.991 -2.502 1.00 23.50 O ATOM 496 CB LEU A 35 7.939 -11.775 -4.161 1.00 21.23 C ATOM 497 CG LEU A 35 7.039 -11.159 -3.089 1.00 5.02 C ATOM 498 CD1 LEU A 35 5.620 -11.689 -3.214 1.00 33.41 C ATOM 499 CD2 LEU A 35 7.595 -11.440 -1.700 1.00 42.43 C ATOM 0 H LEU A 35 9.327 -10.748 -5.924 1.00 30.22 H new ATOM 0 HA LEU A 35 9.605 -10.827 -3.187 1.00 52.32 H new ATOM 0 HB2 LEU A 35 7.641 -11.376 -5.130 1.00 21.23 H new ATOM 0 HB3 LEU A 35 7.755 -12.849 -4.188 1.00 21.23 H new ATOM 0 HG LEU A 35 7.016 -10.079 -3.238 1.00 5.02 H new ATOM 0 HD11 LEU A 35 4.994 -11.239 -2.443 1.00 33.41 H new ATOM 0 HD12 LEU A 35 5.222 -11.436 -4.197 1.00 33.41 H new ATOM 0 HD13 LEU A 35 5.624 -12.772 -3.092 1.00 33.41 H new ATOM 0 HD21 LEU A 35 6.942 -10.994 -0.950 1.00 42.43 H new ATOM 0 HD22 LEU A 35 7.649 -12.517 -1.541 1.00 42.43 H new ATOM 0 HD23 LEU A 35 8.593 -11.010 -1.614 1.00 42.43 H new ATOM 511 N SER A 36 10.110 -13.817 -4.523 1.00 62.20 N ATOM 512 CA SER A 36 10.727 -15.116 -4.281 1.00 31.14 C ATOM 513 C SER A 36 12.226 -14.969 -4.037 1.00 51.24 C ATOM 514 O SER A 36 12.872 -15.872 -3.507 1.00 34.45 O ATOM 515 CB SER A 36 10.481 -16.051 -5.466 1.00 55.35 C ATOM 516 OG SER A 36 9.102 -16.353 -5.600 1.00 44.41 O ATOM 0 H SER A 36 9.677 -13.721 -5.442 1.00 62.20 H new ATOM 0 HA SER A 36 10.272 -15.545 -3.389 1.00 31.14 H new ATOM 0 HB2 SER A 36 10.845 -15.586 -6.382 1.00 55.35 H new ATOM 0 HB3 SER A 36 11.047 -16.973 -5.330 1.00 55.35 H new ATOM 0 HG SER A 36 8.815 -16.912 -4.848 1.00 44.41 H new ATOM 522 N SER A 37 12.773 -13.823 -4.430 1.00 51.22 N ATOM 523 CA SER A 37 14.196 -13.557 -4.259 1.00 64.01 C ATOM 524 C SER A 37 14.425 -12.484 -3.199 1.00 22.33 C ATOM 525 O SER A 37 15.428 -11.770 -3.227 1.00 33.11 O ATOM 526 CB SER A 37 14.818 -13.119 -5.587 1.00 1.25 C ATOM 527 OG SER A 37 14.718 -11.716 -5.758 1.00 3.32 O ATOM 0 H SER A 37 12.252 -13.064 -4.869 1.00 51.22 H new ATOM 0 HA SER A 37 14.675 -14.478 -3.928 1.00 64.01 H new ATOM 0 HB2 SER A 37 15.866 -13.419 -5.618 1.00 1.25 H new ATOM 0 HB3 SER A 37 14.317 -13.626 -6.412 1.00 1.25 H new ATOM 0 HG SER A 37 13.891 -11.394 -5.342 1.00 3.32 H new ATOM 533 N LYS A 38 13.488 -12.377 -2.263 1.00 51.21 N ATOM 534 CA LYS A 38 13.585 -11.393 -1.191 1.00 62.13 C ATOM 535 C LYS A 38 13.946 -12.063 0.131 1.00 54.11 C ATOM 536 O LYS A 38 14.028 -13.289 0.216 1.00 11.22 O ATOM 537 CB LYS A 38 12.265 -10.633 -1.047 1.00 35.40 C ATOM 538 CG LYS A 38 12.051 -9.576 -2.116 1.00 61.13 C ATOM 539 CD LYS A 38 11.803 -8.207 -1.505 1.00 70.23 C ATOM 540 CE LYS A 38 12.065 -7.094 -2.508 1.00 2.43 C ATOM 541 NZ LYS A 38 10.854 -6.776 -3.314 1.00 31.42 N ATOM 0 H LYS A 38 12.652 -12.960 -2.225 1.00 51.21 H new ATOM 0 HA LYS A 38 14.376 -10.688 -1.449 1.00 62.13 H new ATOM 0 HB2 LYS A 38 11.440 -11.345 -1.082 1.00 35.40 H new ATOM 0 HB3 LYS A 38 12.235 -10.157 -0.067 1.00 35.40 H new ATOM 0 HG2 LYS A 38 12.925 -9.532 -2.766 1.00 61.13 H new ATOM 0 HG3 LYS A 38 11.203 -9.856 -2.741 1.00 61.13 H new ATOM 0 HD2 LYS A 38 10.773 -8.146 -1.152 1.00 70.23 H new ATOM 0 HD3 LYS A 38 12.446 -8.073 -0.635 1.00 70.23 H new ATOM 0 HE2 LYS A 38 12.395 -6.199 -1.980 1.00 2.43 H new ATOM 0 HE3 LYS A 38 12.877 -7.388 -3.173 1.00 2.43 H new ATOM 0 HZ1 LYS A 38 10.944 -5.820 -3.714 1.00 31.42 H new ATOM 0 HZ2 LYS A 38 10.759 -7.467 -4.086 1.00 31.42 H new ATOM 0 HZ3 LYS A 38 10.011 -6.819 -2.706 1.00 31.42 H new ATOM 555 N THR A 39 14.159 -11.251 1.162 1.00 54.02 N ATOM 556 CA THR A 39 14.510 -11.765 2.480 1.00 54.13 C ATOM 557 C THR A 39 13.263 -12.132 3.276 1.00 21.54 C ATOM 558 O THR A 39 12.170 -11.618 3.037 1.00 22.53 O ATOM 559 CB THR A 39 15.334 -10.740 3.281 1.00 13.33 C ATOM 560 OG1 THR A 39 16.562 -11.332 3.718 1.00 61.13 O ATOM 561 CG2 THR A 39 14.551 -10.239 4.485 1.00 15.43 C ATOM 0 H THR A 39 14.094 -10.234 1.109 1.00 54.02 H new ATOM 0 HA THR A 39 15.113 -12.659 2.321 1.00 54.13 H new ATOM 0 HB THR A 39 15.551 -9.893 2.630 1.00 13.33 H new ATOM 0 HG1 THR A 39 17.081 -10.673 4.225 1.00 61.13 H new ATOM 0 HG21 THR A 39 15.153 -9.516 5.035 1.00 15.43 H new ATOM 0 HG22 THR A 39 13.630 -9.763 4.148 1.00 15.43 H new ATOM 0 HG23 THR A 39 14.307 -11.079 5.136 1.00 15.43 H new ATOM 569 N PRO A 40 13.428 -13.043 4.248 1.00 53.15 N ATOM 570 CA PRO A 40 12.326 -13.499 5.100 1.00 10.55 C ATOM 571 C PRO A 40 11.851 -12.415 6.062 1.00 1.33 C ATOM 572 O PRO A 40 12.073 -12.503 7.270 1.00 12.31 O ATOM 573 CB PRO A 40 12.937 -14.670 5.874 1.00 1.50 C ATOM 574 CG PRO A 40 14.401 -14.392 5.887 1.00 32.21 C ATOM 575 CD PRO A 40 14.702 -13.697 4.588 1.00 22.31 C ATOM 0 HA PRO A 40 11.445 -13.769 4.518 1.00 10.55 H new ATOM 0 HB2 PRO A 40 12.536 -14.728 6.886 1.00 1.50 H new ATOM 0 HB3 PRO A 40 12.719 -15.622 5.390 1.00 1.50 H new ATOM 0 HG2 PRO A 40 14.672 -13.765 6.737 1.00 32.21 H new ATOM 0 HG3 PRO A 40 14.973 -15.316 5.977 1.00 32.21 H new ATOM 0 HD2 PRO A 40 15.509 -12.972 4.697 1.00 22.31 H new ATOM 0 HD3 PRO A 40 15.010 -14.403 3.817 1.00 22.31 H new ATOM 583 N ASP A 41 11.197 -11.394 5.519 1.00 11.14 N ATOM 584 CA ASP A 41 10.689 -10.293 6.330 1.00 20.31 C ATOM 585 C ASP A 41 9.758 -9.402 5.514 1.00 33.13 C ATOM 586 O ASP A 41 8.700 -8.993 5.992 1.00 51.22 O ATOM 587 CB ASP A 41 11.848 -9.466 6.888 1.00 11.41 C ATOM 588 CG ASP A 41 11.484 -8.755 8.177 1.00 20.31 C ATOM 589 OD1 ASP A 41 10.822 -7.698 8.106 1.00 20.41 O ATOM 590 OD2 ASP A 41 11.861 -9.257 9.257 1.00 55.51 O ATOM 0 H ASP A 41 11.006 -11.306 4.521 1.00 11.14 H new ATOM 0 HA ASP A 41 10.123 -10.716 7.160 1.00 20.31 H new ATOM 0 HB2 ASP A 41 12.703 -10.118 7.065 1.00 11.41 H new ATOM 0 HB3 ASP A 41 12.156 -8.730 6.145 1.00 11.41 H new ATOM 595 N GLN A 42 10.160 -9.105 4.283 1.00 73.23 N ATOM 596 CA GLN A 42 9.361 -8.261 3.402 1.00 44.12 C ATOM 597 C GLN A 42 8.248 -9.065 2.739 1.00 34.03 C ATOM 598 O GLN A 42 7.193 -8.524 2.405 1.00 30.23 O ATOM 599 CB GLN A 42 10.249 -7.620 2.333 1.00 14.23 C ATOM 600 CG GLN A 42 11.416 -6.832 2.905 1.00 42.33 C ATOM 601 CD GLN A 42 11.032 -6.026 4.130 1.00 5.11 C ATOM 602 OE1 GLN A 42 11.309 -6.425 5.262 1.00 61.34 O ATOM 603 NE2 GLN A 42 10.392 -4.884 3.911 1.00 15.20 N ATOM 0 H GLN A 42 11.033 -9.436 3.873 1.00 73.23 H new ATOM 0 HA GLN A 42 8.906 -7.476 4.006 1.00 44.12 H new ATOM 0 HB2 GLN A 42 10.635 -8.400 1.677 1.00 14.23 H new ATOM 0 HB3 GLN A 42 9.641 -6.958 1.717 1.00 14.23 H new ATOM 0 HG2 GLN A 42 12.221 -7.520 3.165 1.00 42.33 H new ATOM 0 HG3 GLN A 42 11.805 -6.160 2.140 1.00 42.33 H new ATOM 0 HE21 GLN A 42 10.183 -4.592 2.956 1.00 15.20 H new ATOM 0 HE22 GLN A 42 10.110 -4.299 4.697 1.00 15.20 H new ATOM 612 N ILE A 43 8.489 -10.358 2.552 1.00 23.10 N ATOM 613 CA ILE A 43 7.506 -11.236 1.930 1.00 20.10 C ATOM 614 C ILE A 43 6.179 -11.195 2.681 1.00 42.45 C ATOM 615 O ILE A 43 5.124 -10.974 2.087 1.00 54.54 O ATOM 616 CB ILE A 43 8.006 -12.692 1.875 1.00 43.32 C ATOM 617 CG1 ILE A 43 9.346 -12.766 1.139 1.00 73.02 C ATOM 618 CG2 ILE A 43 6.974 -13.581 1.198 1.00 31.23 C ATOM 619 CD1 ILE A 43 9.985 -14.136 1.184 1.00 32.31 C ATOM 0 H ILE A 43 9.357 -10.821 2.822 1.00 23.10 H new ATOM 0 HA ILE A 43 7.357 -10.872 0.913 1.00 20.10 H new ATOM 0 HB ILE A 43 8.152 -13.050 2.894 1.00 43.32 H new ATOM 0 HG12 ILE A 43 9.196 -12.478 0.099 1.00 73.02 H new ATOM 0 HG13 ILE A 43 10.032 -12.040 1.575 1.00 73.02 H new ATOM 0 HG21 ILE A 43 7.342 -14.607 1.167 1.00 31.23 H new ATOM 0 HG22 ILE A 43 6.040 -13.547 1.759 1.00 31.23 H new ATOM 0 HG23 ILE A 43 6.799 -13.227 0.182 1.00 31.23 H new ATOM 0 HD11 ILE A 43 10.931 -14.114 0.643 1.00 32.31 H new ATOM 0 HD12 ILE A 43 10.167 -14.419 2.221 1.00 32.31 H new ATOM 0 HD13 ILE A 43 9.319 -14.864 0.721 1.00 32.31 H new ATOM 631 N LYS A 44 6.240 -11.407 3.991 1.00 41.13 N ATOM 632 CA LYS A 44 5.045 -11.391 4.825 1.00 15.02 C ATOM 633 C LYS A 44 4.279 -10.083 4.654 1.00 74.14 C ATOM 634 O LYS A 44 3.049 -10.059 4.714 1.00 1.25 O ATOM 635 CB LYS A 44 5.421 -11.584 6.296 1.00 64.42 C ATOM 636 CG LYS A 44 6.610 -10.747 6.734 1.00 2.22 C ATOM 637 CD LYS A 44 6.720 -10.684 8.248 1.00 22.35 C ATOM 638 CE LYS A 44 7.040 -12.048 8.841 1.00 72.32 C ATOM 639 NZ LYS A 44 8.441 -12.463 8.554 1.00 20.02 N ATOM 0 H LYS A 44 7.105 -11.592 4.498 1.00 41.13 H new ATOM 0 HA LYS A 44 4.402 -12.213 4.509 1.00 15.02 H new ATOM 0 HB2 LYS A 44 4.562 -11.333 6.918 1.00 64.42 H new ATOM 0 HB3 LYS A 44 5.644 -12.637 6.470 1.00 64.42 H new ATOM 0 HG2 LYS A 44 7.525 -11.169 6.319 1.00 2.22 H new ATOM 0 HG3 LYS A 44 6.513 -9.738 6.333 1.00 2.22 H new ATOM 0 HD2 LYS A 44 7.497 -9.973 8.528 1.00 22.35 H new ATOM 0 HD3 LYS A 44 5.784 -10.315 8.667 1.00 22.35 H new ATOM 0 HE2 LYS A 44 6.883 -12.021 9.919 1.00 72.32 H new ATOM 0 HE3 LYS A 44 6.351 -12.790 8.437 1.00 72.32 H new ATOM 0 HZ1 LYS A 44 8.707 -13.246 9.184 1.00 20.02 H new ATOM 0 HZ2 LYS A 44 8.515 -12.775 7.565 1.00 20.02 H new ATOM 0 HZ3 LYS A 44 9.081 -11.658 8.712 1.00 20.02 H new ATOM 653 N LYS A 45 5.013 -8.997 4.437 1.00 13.13 N ATOM 654 CA LYS A 45 4.403 -7.685 4.254 1.00 62.13 C ATOM 655 C LYS A 45 3.647 -7.617 2.931 1.00 35.00 C ATOM 656 O LYS A 45 2.747 -6.794 2.760 1.00 3.34 O ATOM 657 CB LYS A 45 5.473 -6.592 4.298 1.00 65.11 C ATOM 658 CG LYS A 45 6.211 -6.516 5.624 1.00 70.34 C ATOM 659 CD LYS A 45 5.248 -6.376 6.790 1.00 12.33 C ATOM 660 CE LYS A 45 4.395 -5.123 6.661 1.00 3.45 C ATOM 661 NZ LYS A 45 5.223 -3.885 6.680 1.00 14.42 N ATOM 0 H LYS A 45 6.032 -8.999 4.384 1.00 13.13 H new ATOM 0 HA LYS A 45 3.694 -7.525 5.067 1.00 62.13 H new ATOM 0 HB2 LYS A 45 6.194 -6.769 3.500 1.00 65.11 H new ATOM 0 HB3 LYS A 45 5.005 -5.629 4.097 1.00 65.11 H new ATOM 0 HG2 LYS A 45 6.816 -7.413 5.756 1.00 70.34 H new ATOM 0 HG3 LYS A 45 6.896 -5.668 5.612 1.00 70.34 H new ATOM 0 HD2 LYS A 45 4.603 -7.253 6.838 1.00 12.33 H new ATOM 0 HD3 LYS A 45 5.809 -6.341 7.724 1.00 12.33 H new ATOM 0 HE2 LYS A 45 3.826 -5.165 5.732 1.00 3.45 H new ATOM 0 HE3 LYS A 45 3.673 -5.090 7.477 1.00 3.45 H new ATOM 0 HZ1 LYS A 45 4.603 -3.054 6.761 1.00 14.42 H new ATOM 0 HZ2 LYS A 45 5.872 -3.914 7.493 1.00 14.42 H new ATOM 0 HZ3 LYS A 45 5.773 -3.822 5.800 1.00 14.42 H new ATOM 675 N VAL A 46 4.015 -8.489 1.998 1.00 45.33 N ATOM 676 CA VAL A 46 3.370 -8.529 0.691 1.00 34.02 C ATOM 677 C VAL A 46 2.120 -9.402 0.723 1.00 41.04 C ATOM 678 O VAL A 46 1.237 -9.271 -0.125 1.00 13.01 O ATOM 679 CB VAL A 46 4.327 -9.061 -0.392 1.00 11.30 C ATOM 680 CG1 VAL A 46 3.625 -9.127 -1.740 1.00 35.45 C ATOM 681 CG2 VAL A 46 5.573 -8.193 -0.474 1.00 3.55 C ATOM 0 H VAL A 46 4.757 -9.178 2.123 1.00 45.33 H new ATOM 0 HA VAL A 46 3.089 -7.505 0.445 1.00 34.02 H new ATOM 0 HB VAL A 46 4.632 -10.071 -0.118 1.00 11.30 H new ATOM 0 HG11 VAL A 46 4.317 -9.505 -2.492 1.00 35.45 H new ATOM 0 HG12 VAL A 46 2.765 -9.793 -1.670 1.00 35.45 H new ATOM 0 HG13 VAL A 46 3.289 -8.130 -2.024 1.00 35.45 H new ATOM 0 HG21 VAL A 46 6.238 -8.583 -1.244 1.00 3.55 H new ATOM 0 HG22 VAL A 46 5.289 -7.171 -0.724 1.00 3.55 H new ATOM 0 HG23 VAL A 46 6.086 -8.202 0.487 1.00 3.55 H new ATOM 691 N PHE A 47 2.052 -10.293 1.706 1.00 63.20 N ATOM 692 CA PHE A 47 0.911 -11.189 1.848 1.00 34.23 C ATOM 693 C PHE A 47 -0.262 -10.475 2.515 1.00 44.13 C ATOM 694 O PHE A 47 -1.420 -10.833 2.307 1.00 52.42 O ATOM 695 CB PHE A 47 1.302 -12.423 2.665 1.00 52.50 C ATOM 696 CG PHE A 47 0.217 -12.900 3.587 1.00 13.44 C ATOM 697 CD1 PHE A 47 -0.841 -13.653 3.103 1.00 1.42 C ATOM 698 CD2 PHE A 47 0.254 -12.596 4.939 1.00 45.34 C ATOM 699 CE1 PHE A 47 -1.841 -14.092 3.950 1.00 60.12 C ATOM 700 CE2 PHE A 47 -0.743 -13.033 5.790 1.00 4.22 C ATOM 701 CZ PHE A 47 -1.791 -13.783 5.295 1.00 12.01 C ATOM 0 H PHE A 47 2.774 -10.414 2.416 1.00 63.20 H new ATOM 0 HA PHE A 47 0.603 -11.504 0.851 1.00 34.23 H new ATOM 0 HB2 PHE A 47 1.569 -13.230 1.983 1.00 52.50 H new ATOM 0 HB3 PHE A 47 2.191 -12.193 3.252 1.00 52.50 H new ATOM 0 HD1 PHE A 47 -0.885 -13.899 2.052 1.00 1.42 H new ATOM 0 HD2 PHE A 47 1.072 -12.010 5.332 1.00 45.34 H new ATOM 0 HE1 PHE A 47 -2.661 -14.676 3.560 1.00 60.12 H new ATOM 0 HE2 PHE A 47 -0.702 -12.788 6.841 1.00 4.22 H new ATOM 0 HZ PHE A 47 -2.570 -14.127 5.959 1.00 12.01 H new ATOM 711 N GLY A 48 0.050 -9.462 3.318 1.00 35.12 N ATOM 712 CA GLY A 48 -0.988 -8.714 4.004 1.00 44.41 C ATOM 713 C GLY A 48 -1.845 -7.904 3.051 1.00 24.10 C ATOM 714 O GLY A 48 -2.878 -7.362 3.443 1.00 35.45 O ATOM 0 H GLY A 48 1.002 -9.146 3.506 1.00 35.12 H new ATOM 0 HA2 GLY A 48 -1.622 -9.405 4.560 1.00 44.41 H new ATOM 0 HA3 GLY A 48 -0.529 -8.046 4.732 1.00 44.41 H new ATOM 718 N ILE A 49 -1.414 -7.820 1.797 1.00 73.13 N ATOM 719 CA ILE A 49 -2.150 -7.070 0.786 1.00 24.20 C ATOM 720 C ILE A 49 -3.118 -7.972 0.029 1.00 72.23 C ATOM 721 O ILE A 49 -4.006 -7.493 -0.679 1.00 22.54 O ATOM 722 CB ILE A 49 -1.197 -6.399 -0.221 1.00 10.22 C ATOM 723 CG1 ILE A 49 0.026 -5.830 0.502 1.00 32.10 C ATOM 724 CG2 ILE A 49 -1.923 -5.303 -0.987 1.00 61.33 C ATOM 725 CD1 ILE A 49 1.015 -5.156 -0.423 1.00 20.03 C ATOM 0 H ILE A 49 -0.560 -8.261 1.457 1.00 73.13 H new ATOM 0 HA ILE A 49 -2.712 -6.298 1.312 1.00 24.20 H new ATOM 0 HB ILE A 49 -0.857 -7.150 -0.934 1.00 10.22 H new ATOM 0 HG12 ILE A 49 -0.307 -5.111 1.251 1.00 32.10 H new ATOM 0 HG13 ILE A 49 0.530 -6.636 1.035 1.00 32.10 H new ATOM 0 HG21 ILE A 49 -1.237 -4.838 -1.695 1.00 61.33 H new ATOM 0 HG22 ILE A 49 -2.765 -5.734 -1.528 1.00 61.33 H new ATOM 0 HG23 ILE A 49 -2.288 -4.551 -0.288 1.00 61.33 H new ATOM 0 HD11 ILE A 49 1.856 -4.777 0.158 1.00 20.03 H new ATOM 0 HD12 ILE A 49 1.376 -5.877 -1.157 1.00 20.03 H new ATOM 0 HD13 ILE A 49 0.526 -4.328 -0.937 1.00 20.03 H new ATOM 737 N LEU A 50 -2.943 -9.280 0.183 1.00 52.04 N ATOM 738 CA LEU A 50 -3.803 -10.251 -0.485 1.00 52.23 C ATOM 739 C LEU A 50 -5.087 -10.477 0.307 1.00 22.10 C ATOM 740 O LEU A 50 -6.188 -10.386 -0.236 1.00 43.13 O ATOM 741 CB LEU A 50 -3.063 -11.577 -0.668 1.00 43.21 C ATOM 742 CG LEU A 50 -1.544 -11.482 -0.820 1.00 71.13 C ATOM 743 CD1 LEU A 50 -0.936 -12.867 -0.977 1.00 70.15 C ATOM 744 CD2 LEU A 50 -1.181 -10.600 -2.006 1.00 61.41 C ATOM 0 H LEU A 50 -2.214 -9.693 0.764 1.00 52.04 H new ATOM 0 HA LEU A 50 -4.067 -9.852 -1.464 1.00 52.23 H new ATOM 0 HB2 LEU A 50 -3.283 -12.214 0.188 1.00 43.21 H new ATOM 0 HB3 LEU A 50 -3.466 -12.076 -1.549 1.00 43.21 H new ATOM 0 HG LEU A 50 -1.135 -11.029 0.083 1.00 71.13 H new ATOM 0 HD11 LEU A 50 0.145 -12.780 -1.084 1.00 70.15 H new ATOM 0 HD12 LEU A 50 -1.166 -13.467 -0.097 1.00 70.15 H new ATOM 0 HD13 LEU A 50 -1.350 -13.348 -1.863 1.00 70.15 H new ATOM 0 HD21 LEU A 50 -0.096 -10.544 -2.099 1.00 61.41 H new ATOM 0 HD22 LEU A 50 -1.602 -11.025 -2.917 1.00 61.41 H new ATOM 0 HD23 LEU A 50 -1.584 -9.599 -1.852 1.00 61.41 H new ATOM 756 N ASP A 51 -4.937 -10.770 1.594 1.00 34.50 N ATOM 757 CA ASP A 51 -6.085 -11.006 2.463 1.00 63.44 C ATOM 758 C ASP A 51 -7.184 -9.982 2.201 1.00 52.20 C ATOM 759 O ASP A 51 -6.917 -8.881 1.720 1.00 12.25 O ATOM 760 CB ASP A 51 -5.659 -10.953 3.931 1.00 55.12 C ATOM 761 CG ASP A 51 -4.512 -11.895 4.236 1.00 61.51 C ATOM 762 OD1 ASP A 51 -3.413 -11.692 3.679 1.00 65.20 O ATOM 763 OD2 ASP A 51 -4.713 -12.836 5.032 1.00 1.13 O ATOM 0 H ASP A 51 -4.033 -10.850 2.059 1.00 34.50 H new ATOM 0 HA ASP A 51 -6.479 -11.998 2.243 1.00 63.44 H new ATOM 0 HB2 ASP A 51 -5.366 -9.934 4.184 1.00 55.12 H new ATOM 0 HB3 ASP A 51 -6.511 -11.206 4.563 1.00 55.12 H new ATOM 768 N GLN A 52 -8.420 -10.353 2.519 1.00 30.15 N ATOM 769 CA GLN A 52 -9.560 -9.466 2.317 1.00 63.53 C ATOM 770 C GLN A 52 -9.797 -8.595 3.546 1.00 71.41 C ATOM 771 O GLN A 52 -10.008 -7.388 3.432 1.00 50.13 O ATOM 772 CB GLN A 52 -10.816 -10.280 2.003 1.00 34.22 C ATOM 773 CG GLN A 52 -11.184 -11.275 3.092 1.00 34.12 C ATOM 774 CD GLN A 52 -12.291 -12.221 2.669 1.00 41.12 C ATOM 775 OE1 GLN A 52 -12.212 -13.428 2.897 1.00 71.55 O ATOM 776 NE2 GLN A 52 -13.331 -11.676 2.049 1.00 51.11 N ATOM 0 H GLN A 52 -8.658 -11.261 2.917 1.00 30.15 H new ATOM 0 HA GLN A 52 -9.337 -8.815 1.472 1.00 63.53 H new ATOM 0 HB2 GLN A 52 -11.652 -9.598 1.848 1.00 34.22 H new ATOM 0 HB3 GLN A 52 -10.666 -10.818 1.067 1.00 34.22 H new ATOM 0 HG2 GLN A 52 -10.301 -11.854 3.364 1.00 34.12 H new ATOM 0 HG3 GLN A 52 -11.496 -10.732 3.984 1.00 34.12 H new ATOM 0 HE21 GLN A 52 -13.355 -10.670 1.881 1.00 51.11 H new ATOM 0 HE22 GLN A 52 -14.106 -12.263 1.741 1.00 51.11 H new ATOM 785 N ASP A 53 -9.762 -9.216 4.720 1.00 2.31 N ATOM 786 CA ASP A 53 -9.972 -8.497 5.971 1.00 14.23 C ATOM 787 C ASP A 53 -8.822 -8.746 6.942 1.00 60.14 C ATOM 788 O ASP A 53 -8.951 -8.523 8.145 1.00 11.24 O ATOM 789 CB ASP A 53 -11.296 -8.920 6.611 1.00 41.34 C ATOM 790 CG ASP A 53 -11.930 -7.806 7.420 1.00 2.33 C ATOM 791 OD1 ASP A 53 -11.184 -6.938 7.920 1.00 51.43 O ATOM 792 OD2 ASP A 53 -13.171 -7.802 7.555 1.00 35.45 O ATOM 0 H ASP A 53 -9.590 -10.215 4.831 1.00 2.31 H new ATOM 0 HA ASP A 53 -10.009 -7.431 5.746 1.00 14.23 H new ATOM 0 HB2 ASP A 53 -11.988 -9.238 5.831 1.00 41.34 H new ATOM 0 HB3 ASP A 53 -11.125 -9.782 7.256 1.00 41.34 H new ATOM 797 N LYS A 54 -7.697 -9.211 6.410 1.00 63.31 N ATOM 798 CA LYS A 54 -6.522 -9.491 7.227 1.00 33.44 C ATOM 799 C LYS A 54 -6.912 -10.225 8.507 1.00 72.24 C ATOM 800 O LYS A 54 -6.346 -9.979 9.572 1.00 60.45 O ATOM 801 CB LYS A 54 -5.795 -8.190 7.575 1.00 60.54 C ATOM 802 CG LYS A 54 -5.156 -7.512 6.375 1.00 24.43 C ATOM 803 CD LYS A 54 -6.191 -6.804 5.518 1.00 62.35 C ATOM 804 CE LYS A 54 -5.542 -5.806 4.572 1.00 42.45 C ATOM 805 NZ LYS A 54 -4.764 -4.770 5.307 1.00 52.14 N ATOM 0 H LYS A 54 -7.574 -9.402 5.416 1.00 63.31 H new ATOM 0 HA LYS A 54 -5.854 -10.131 6.650 1.00 33.44 H new ATOM 0 HB2 LYS A 54 -6.502 -7.501 8.038 1.00 60.54 H new ATOM 0 HB3 LYS A 54 -5.024 -8.401 8.316 1.00 60.54 H new ATOM 0 HG2 LYS A 54 -4.411 -6.793 6.716 1.00 24.43 H new ATOM 0 HG3 LYS A 54 -4.631 -8.254 5.774 1.00 24.43 H new ATOM 0 HD2 LYS A 54 -6.753 -7.539 4.943 1.00 62.35 H new ATOM 0 HD3 LYS A 54 -6.905 -6.288 6.160 1.00 62.35 H new ATOM 0 HE2 LYS A 54 -4.883 -6.334 3.883 1.00 42.45 H new ATOM 0 HE3 LYS A 54 -6.312 -5.323 3.970 1.00 42.45 H new ATOM 0 HZ1 LYS A 54 -4.713 -3.903 4.734 1.00 52.14 H new ATOM 0 HZ2 LYS A 54 -5.233 -4.560 6.211 1.00 52.14 H new ATOM 0 HZ3 LYS A 54 -3.803 -5.122 5.489 1.00 52.14 H new ATOM 819 N SER A 55 -7.882 -11.128 8.394 1.00 44.42 N ATOM 820 CA SER A 55 -8.348 -11.896 9.542 1.00 14.41 C ATOM 821 C SER A 55 -7.217 -12.732 10.132 1.00 34.41 C ATOM 822 O SER A 55 -7.248 -13.097 11.307 1.00 64.44 O ATOM 823 CB SER A 55 -9.512 -12.803 9.137 1.00 65.03 C ATOM 824 OG SER A 55 -10.618 -12.042 8.685 1.00 73.35 O ATOM 0 H SER A 55 -8.360 -11.345 7.519 1.00 44.42 H new ATOM 0 HA SER A 55 -8.691 -11.194 10.302 1.00 14.41 H new ATOM 0 HB2 SER A 55 -9.189 -13.484 8.350 1.00 65.03 H new ATOM 0 HB3 SER A 55 -9.812 -13.417 9.987 1.00 65.03 H new ATOM 0 HG SER A 55 -11.348 -12.645 8.431 1.00 73.35 H new ATOM 830 N GLY A 56 -6.219 -13.033 9.307 1.00 71.03 N ATOM 831 CA GLY A 56 -5.092 -13.825 9.763 1.00 2.44 C ATOM 832 C GLY A 56 -4.808 -15.006 8.857 1.00 33.44 C ATOM 833 O GLY A 56 -3.762 -15.646 8.968 1.00 0.30 O ATOM 0 H GLY A 56 -6.171 -12.742 8.330 1.00 71.03 H new ATOM 0 HA2 GLY A 56 -4.206 -13.192 9.818 1.00 2.44 H new ATOM 0 HA3 GLY A 56 -5.290 -14.185 10.773 1.00 2.44 H new ATOM 837 N PHE A 57 -5.743 -15.299 7.959 1.00 31.14 N ATOM 838 CA PHE A 57 -5.590 -16.414 7.032 1.00 21.22 C ATOM 839 C PHE A 57 -6.365 -16.160 5.743 1.00 40.44 C ATOM 840 O PHE A 57 -7.228 -15.283 5.687 1.00 4.45 O ATOM 841 CB PHE A 57 -6.070 -17.714 7.681 1.00 61.12 C ATOM 842 CG PHE A 57 -5.343 -18.054 8.951 1.00 73.55 C ATOM 843 CD1 PHE A 57 -4.090 -18.643 8.910 1.00 22.35 C ATOM 844 CD2 PHE A 57 -5.914 -17.786 10.184 1.00 11.02 C ATOM 845 CE1 PHE A 57 -3.418 -18.957 10.077 1.00 32.50 C ATOM 846 CE2 PHE A 57 -5.247 -18.097 11.354 1.00 72.41 C ATOM 847 CZ PHE A 57 -3.998 -18.685 11.300 1.00 13.04 C ATOM 0 H PHE A 57 -6.615 -14.780 7.854 1.00 31.14 H new ATOM 0 HA PHE A 57 -4.532 -16.507 6.787 1.00 21.22 H new ATOM 0 HB2 PHE A 57 -7.136 -17.633 7.893 1.00 61.12 H new ATOM 0 HB3 PHE A 57 -5.947 -18.532 6.971 1.00 61.12 H new ATOM 0 HD1 PHE A 57 -3.633 -18.859 7.956 1.00 22.35 H new ATOM 0 HD2 PHE A 57 -6.891 -17.329 10.232 1.00 11.02 H new ATOM 0 HE1 PHE A 57 -2.441 -19.414 10.032 1.00 32.50 H new ATOM 0 HE2 PHE A 57 -5.702 -17.881 12.309 1.00 72.41 H new ATOM 0 HZ PHE A 57 -3.476 -18.931 12.213 1.00 13.04 H new ATOM 857 N ILE A 58 -6.050 -16.932 4.708 1.00 15.12 N ATOM 858 CA ILE A 58 -6.717 -16.791 3.420 1.00 50.13 C ATOM 859 C ILE A 58 -7.239 -18.134 2.921 1.00 63.14 C ATOM 860 O ILE A 58 -6.462 -19.043 2.630 1.00 42.13 O ATOM 861 CB ILE A 58 -5.773 -16.194 2.360 1.00 43.33 C ATOM 862 CG1 ILE A 58 -5.521 -14.712 2.646 1.00 22.03 C ATOM 863 CG2 ILE A 58 -6.356 -16.378 0.967 1.00 51.43 C ATOM 864 CD1 ILE A 58 -4.481 -14.090 1.741 1.00 53.44 C ATOM 0 H ILE A 58 -5.337 -17.661 4.737 1.00 15.12 H new ATOM 0 HA ILE A 58 -7.556 -16.112 3.572 1.00 50.13 H new ATOM 0 HB ILE A 58 -4.820 -16.721 2.406 1.00 43.33 H new ATOM 0 HG12 ILE A 58 -6.458 -14.165 2.539 1.00 22.03 H new ATOM 0 HG13 ILE A 58 -5.203 -14.599 3.682 1.00 22.03 H new ATOM 0 HG21 ILE A 58 -5.677 -15.951 0.229 1.00 51.43 H new ATOM 0 HG22 ILE A 58 -6.489 -17.441 0.766 1.00 51.43 H new ATOM 0 HG23 ILE A 58 -7.321 -15.874 0.907 1.00 51.43 H new ATOM 0 HD11 ILE A 58 -4.354 -13.039 2.001 1.00 53.44 H new ATOM 0 HD12 ILE A 58 -3.532 -14.611 1.865 1.00 53.44 H new ATOM 0 HD13 ILE A 58 -4.806 -14.171 0.704 1.00 53.44 H new ATOM 876 N GLU A 59 -8.559 -18.251 2.823 1.00 54.43 N ATOM 877 CA GLU A 59 -9.184 -19.483 2.357 1.00 34.15 C ATOM 878 C GLU A 59 -9.119 -19.586 0.836 1.00 3.13 C ATOM 879 O GLU A 59 -8.901 -18.591 0.146 1.00 3.22 O ATOM 880 CB GLU A 59 -10.641 -19.549 2.822 1.00 61.24 C ATOM 881 CG GLU A 59 -10.839 -19.128 4.268 1.00 24.11 C ATOM 882 CD GLU A 59 -11.348 -17.706 4.397 1.00 3.42 C ATOM 883 OE1 GLU A 59 -12.517 -17.460 4.034 1.00 12.44 O ATOM 884 OE2 GLU A 59 -10.577 -16.839 4.860 1.00 15.15 O ATOM 0 H GLU A 59 -9.216 -17.508 3.060 1.00 54.43 H new ATOM 0 HA GLU A 59 -8.635 -20.322 2.784 1.00 34.15 H new ATOM 0 HB2 GLU A 59 -11.247 -18.910 2.180 1.00 61.24 H new ATOM 0 HB3 GLU A 59 -11.008 -20.568 2.696 1.00 61.24 H new ATOM 0 HG2 GLU A 59 -11.544 -19.807 4.747 1.00 24.11 H new ATOM 0 HG3 GLU A 59 -9.894 -19.221 4.802 1.00 24.11 H new ATOM 891 N GLU A 60 -9.308 -20.797 0.322 1.00 32.01 N ATOM 892 CA GLU A 60 -9.269 -21.030 -1.117 1.00 1.02 C ATOM 893 C GLU A 60 -10.165 -20.039 -1.853 1.00 54.41 C ATOM 894 O GLU A 60 -9.941 -19.735 -3.024 1.00 45.21 O ATOM 895 CB GLU A 60 -9.704 -22.462 -1.436 1.00 45.11 C ATOM 896 CG GLU A 60 -9.399 -22.887 -2.863 1.00 0.41 C ATOM 897 CD GLU A 60 -10.578 -22.688 -3.795 1.00 14.00 C ATOM 898 OE1 GLU A 60 -11.709 -23.050 -3.406 1.00 2.52 O ATOM 899 OE2 GLU A 60 -10.371 -22.172 -4.913 1.00 15.21 O ATOM 0 H GLU A 60 -9.490 -21.631 0.880 1.00 32.01 H new ATOM 0 HA GLU A 60 -8.243 -20.886 -1.455 1.00 1.02 H new ATOM 0 HB2 GLU A 60 -9.207 -23.146 -0.748 1.00 45.11 H new ATOM 0 HB3 GLU A 60 -10.776 -22.555 -1.259 1.00 45.11 H new ATOM 0 HG2 GLU A 60 -8.547 -22.317 -3.234 1.00 0.41 H new ATOM 0 HG3 GLU A 60 -9.107 -23.937 -2.871 1.00 0.41 H new ATOM 906 N GLU A 61 -11.182 -19.539 -1.157 1.00 41.02 N ATOM 907 CA GLU A 61 -12.113 -18.583 -1.745 1.00 60.35 C ATOM 908 C GLU A 61 -11.403 -17.279 -2.099 1.00 73.40 C ATOM 909 O GLU A 61 -11.561 -16.754 -3.201 1.00 31.53 O ATOM 910 CB GLU A 61 -13.268 -18.303 -0.782 1.00 22.05 C ATOM 911 CG GLU A 61 -14.133 -19.519 -0.499 1.00 35.31 C ATOM 912 CD GLU A 61 -14.837 -20.036 -1.739 1.00 43.21 C ATOM 913 OE1 GLU A 61 -14.927 -19.278 -2.728 1.00 31.21 O ATOM 914 OE2 GLU A 61 -15.297 -21.197 -1.721 1.00 45.51 O ATOM 0 H GLU A 61 -11.382 -19.780 -0.186 1.00 41.02 H new ATOM 0 HA GLU A 61 -12.512 -19.020 -2.661 1.00 60.35 H new ATOM 0 HB2 GLU A 61 -12.863 -17.929 0.158 1.00 22.05 H new ATOM 0 HB3 GLU A 61 -13.893 -17.512 -1.197 1.00 22.05 H new ATOM 0 HG2 GLU A 61 -13.513 -20.312 -0.081 1.00 35.31 H new ATOM 0 HG3 GLU A 61 -14.876 -19.264 0.256 1.00 35.31 H new ATOM 921 N GLU A 62 -10.622 -16.763 -1.155 1.00 51.15 N ATOM 922 CA GLU A 62 -9.890 -15.520 -1.367 1.00 44.00 C ATOM 923 C GLU A 62 -8.521 -15.793 -1.984 1.00 71.33 C ATOM 924 O GLU A 62 -7.801 -14.867 -2.360 1.00 25.52 O ATOM 925 CB GLU A 62 -9.724 -14.768 -0.045 1.00 22.34 C ATOM 926 CG GLU A 62 -10.527 -13.481 0.028 1.00 11.35 C ATOM 927 CD GLU A 62 -12.023 -13.727 0.065 1.00 22.43 C ATOM 928 OE1 GLU A 62 -12.436 -14.787 0.582 1.00 50.04 O ATOM 929 OE2 GLU A 62 -12.780 -12.862 -0.422 1.00 23.02 O ATOM 0 H GLU A 62 -10.480 -17.186 -0.238 1.00 51.15 H new ATOM 0 HA GLU A 62 -10.465 -14.904 -2.058 1.00 44.00 H new ATOM 0 HB2 GLU A 62 -10.024 -15.421 0.775 1.00 22.34 H new ATOM 0 HB3 GLU A 62 -8.669 -14.537 0.102 1.00 22.34 H new ATOM 0 HG2 GLU A 62 -10.232 -12.923 0.917 1.00 11.35 H new ATOM 0 HG3 GLU A 62 -10.286 -12.858 -0.833 1.00 11.35 H new ATOM 936 N LEU A 63 -8.169 -17.070 -2.086 1.00 22.13 N ATOM 937 CA LEU A 63 -6.886 -17.467 -2.657 1.00 35.02 C ATOM 938 C LEU A 63 -6.915 -17.370 -4.179 1.00 2.32 C ATOM 939 O LEU A 63 -5.878 -17.196 -4.818 1.00 4.52 O ATOM 940 CB LEU A 63 -6.537 -18.894 -2.232 1.00 64.31 C ATOM 941 CG LEU A 63 -5.059 -19.277 -2.319 1.00 23.14 C ATOM 942 CD1 LEU A 63 -4.245 -18.501 -1.294 1.00 75.41 C ATOM 943 CD2 LEU A 63 -4.883 -20.775 -2.118 1.00 33.31 C ATOM 0 H LEU A 63 -8.754 -17.848 -1.781 1.00 22.13 H new ATOM 0 HA LEU A 63 -6.122 -16.786 -2.282 1.00 35.02 H new ATOM 0 HB2 LEU A 63 -6.869 -19.037 -1.204 1.00 64.31 H new ATOM 0 HB3 LEU A 63 -7.108 -19.586 -2.851 1.00 64.31 H new ATOM 0 HG LEU A 63 -4.695 -19.019 -3.313 1.00 23.14 H new ATOM 0 HD11 LEU A 63 -3.196 -18.787 -1.371 1.00 75.41 H new ATOM 0 HD12 LEU A 63 -4.345 -17.432 -1.484 1.00 75.41 H new ATOM 0 HD13 LEU A 63 -4.610 -18.727 -0.292 1.00 75.41 H new ATOM 0 HD21 LEU A 63 -3.825 -21.029 -2.183 1.00 33.31 H new ATOM 0 HD22 LEU A 63 -5.264 -21.058 -1.137 1.00 33.31 H new ATOM 0 HD23 LEU A 63 -5.434 -21.313 -2.890 1.00 33.31 H new ATOM 955 N GLN A 64 -8.109 -17.481 -4.752 1.00 21.44 N ATOM 956 CA GLN A 64 -8.272 -17.404 -6.199 1.00 24.34 C ATOM 957 C GLN A 64 -8.026 -15.985 -6.699 1.00 41.22 C ATOM 958 O GLN A 64 -8.055 -15.726 -7.903 1.00 64.12 O ATOM 959 CB GLN A 64 -9.674 -17.864 -6.600 1.00 52.14 C ATOM 960 CG GLN A 64 -10.752 -16.823 -6.345 1.00 10.21 C ATOM 961 CD GLN A 64 -12.133 -17.301 -6.749 1.00 3.03 C ATOM 962 OE1 GLN A 64 -12.296 -18.416 -7.244 1.00 62.50 O ATOM 963 NE2 GLN A 64 -13.137 -16.458 -6.539 1.00 4.54 N ATOM 0 H GLN A 64 -8.977 -17.624 -4.237 1.00 21.44 H new ATOM 0 HA GLN A 64 -7.536 -18.064 -6.659 1.00 24.34 H new ATOM 0 HB2 GLN A 64 -9.674 -18.123 -7.659 1.00 52.14 H new ATOM 0 HB3 GLN A 64 -9.920 -18.772 -6.050 1.00 52.14 H new ATOM 0 HG2 GLN A 64 -10.757 -16.563 -5.287 1.00 10.21 H new ATOM 0 HG3 GLN A 64 -10.511 -15.914 -6.896 1.00 10.21 H new ATOM 0 HE21 GLN A 64 -12.957 -15.543 -6.126 1.00 4.54 H new ATOM 0 HE22 GLN A 64 -14.089 -16.725 -6.791 1.00 4.54 H new ATOM 972 N LEU A 65 -7.785 -15.068 -5.768 1.00 63.25 N ATOM 973 CA LEU A 65 -7.534 -13.673 -6.115 1.00 70.50 C ATOM 974 C LEU A 65 -6.047 -13.347 -6.019 1.00 31.24 C ATOM 975 O LEU A 65 -5.663 -12.184 -5.893 1.00 21.31 O ATOM 976 CB LEU A 65 -8.332 -12.748 -5.195 1.00 43.51 C ATOM 977 CG LEU A 65 -9.776 -13.164 -4.912 1.00 44.31 C ATOM 978 CD1 LEU A 65 -10.308 -12.442 -3.684 1.00 30.33 C ATOM 979 CD2 LEU A 65 -10.658 -12.885 -6.120 1.00 65.35 C ATOM 0 H LEU A 65 -7.758 -15.265 -4.768 1.00 63.25 H new ATOM 0 HA LEU A 65 -7.855 -13.516 -7.145 1.00 70.50 H new ATOM 0 HB2 LEU A 65 -7.804 -12.671 -4.244 1.00 43.51 H new ATOM 0 HB3 LEU A 65 -8.342 -11.751 -5.636 1.00 43.51 H new ATOM 0 HG LEU A 65 -9.793 -14.236 -4.714 1.00 44.31 H new ATOM 0 HD11 LEU A 65 -11.337 -12.750 -3.498 1.00 30.33 H new ATOM 0 HD12 LEU A 65 -9.692 -12.692 -2.820 1.00 30.33 H new ATOM 0 HD13 LEU A 65 -10.277 -11.366 -3.853 1.00 30.33 H new ATOM 0 HD21 LEU A 65 -11.682 -13.187 -5.900 1.00 65.35 H new ATOM 0 HD22 LEU A 65 -10.635 -11.820 -6.349 1.00 65.35 H new ATOM 0 HD23 LEU A 65 -10.289 -13.448 -6.977 1.00 65.35 H new ATOM 991 N PHE A 66 -5.215 -14.381 -6.080 1.00 64.14 N ATOM 992 CA PHE A 66 -3.769 -14.205 -6.001 1.00 52.44 C ATOM 993 C PHE A 66 -3.248 -13.435 -7.212 1.00 32.51 C ATOM 994 O PHE A 66 -2.195 -12.799 -7.152 1.00 31.44 O ATOM 995 CB PHE A 66 -3.072 -15.564 -5.908 1.00 15.30 C ATOM 996 CG PHE A 66 -1.574 -15.468 -5.866 1.00 51.54 C ATOM 997 CD1 PHE A 66 -0.918 -15.169 -4.683 1.00 54.41 C ATOM 998 CD2 PHE A 66 -0.821 -15.676 -7.011 1.00 54.40 C ATOM 999 CE1 PHE A 66 0.460 -15.080 -4.641 1.00 44.23 C ATOM 1000 CE2 PHE A 66 0.557 -15.588 -6.975 1.00 64.52 C ATOM 1001 CZ PHE A 66 1.199 -15.289 -5.789 1.00 60.03 C ATOM 0 H PHE A 66 -5.517 -15.350 -6.184 1.00 64.14 H new ATOM 0 HA PHE A 66 -3.547 -13.629 -5.103 1.00 52.44 H new ATOM 0 HB2 PHE A 66 -3.420 -16.081 -5.014 1.00 15.30 H new ATOM 0 HB3 PHE A 66 -3.365 -16.173 -6.763 1.00 15.30 H new ATOM 0 HD1 PHE A 66 -1.491 -15.003 -3.783 1.00 54.41 H new ATOM 0 HD2 PHE A 66 -1.317 -15.909 -7.941 1.00 54.40 H new ATOM 0 HE1 PHE A 66 0.959 -14.847 -3.712 1.00 44.23 H new ATOM 0 HE2 PHE A 66 1.132 -15.753 -7.874 1.00 64.52 H new ATOM 0 HZ PHE A 66 2.276 -15.219 -5.759 1.00 60.03 H new ATOM 1011 N LEU A 67 -3.992 -13.499 -8.310 1.00 54.24 N ATOM 1012 CA LEU A 67 -3.607 -12.809 -9.537 1.00 23.13 C ATOM 1013 C LEU A 67 -4.045 -11.349 -9.501 1.00 1.52 C ATOM 1014 O LEU A 67 -3.857 -10.608 -10.467 1.00 25.44 O ATOM 1015 CB LEU A 67 -4.219 -13.507 -10.752 1.00 71.51 C ATOM 1016 CG LEU A 67 -3.482 -14.749 -11.255 1.00 30.45 C ATOM 1017 CD1 LEU A 67 -4.301 -15.461 -12.321 1.00 25.14 C ATOM 1018 CD2 LEU A 67 -2.110 -14.373 -11.795 1.00 73.24 C ATOM 0 H LEU A 67 -4.865 -14.021 -8.377 1.00 54.24 H new ATOM 0 HA LEU A 67 -2.520 -12.841 -9.617 1.00 23.13 H new ATOM 0 HB2 LEU A 67 -5.242 -13.791 -10.505 1.00 71.51 H new ATOM 0 HB3 LEU A 67 -4.276 -12.787 -11.569 1.00 71.51 H new ATOM 0 HG LEU A 67 -3.345 -15.431 -10.416 1.00 30.45 H new ATOM 0 HD11 LEU A 67 -3.761 -16.342 -12.667 1.00 25.14 H new ATOM 0 HD12 LEU A 67 -5.260 -15.765 -11.901 1.00 25.14 H new ATOM 0 HD13 LEU A 67 -4.470 -14.787 -13.160 1.00 25.14 H new ATOM 0 HD21 LEU A 67 -1.600 -15.269 -12.148 1.00 73.24 H new ATOM 0 HD22 LEU A 67 -2.224 -13.671 -12.621 1.00 73.24 H new ATOM 0 HD23 LEU A 67 -1.522 -13.909 -11.003 1.00 73.24 H new ATOM 1030 N LYS A 68 -4.629 -10.939 -8.380 1.00 1.21 N ATOM 1031 CA LYS A 68 -5.091 -9.566 -8.215 1.00 51.21 C ATOM 1032 C LYS A 68 -4.019 -8.707 -7.552 1.00 51.54 C ATOM 1033 O LYS A 68 -4.059 -7.479 -7.630 1.00 23.43 O ATOM 1034 CB LYS A 68 -6.373 -9.534 -7.380 1.00 72.31 C ATOM 1035 CG LYS A 68 -7.487 -10.399 -7.943 1.00 74.35 C ATOM 1036 CD LYS A 68 -8.014 -9.845 -9.257 1.00 25.31 C ATOM 1037 CE LYS A 68 -7.351 -10.517 -10.450 1.00 54.12 C ATOM 1038 NZ LYS A 68 -6.520 -9.561 -11.234 1.00 34.41 N ATOM 0 H LYS A 68 -4.794 -11.539 -7.572 1.00 1.21 H new ATOM 0 HA LYS A 68 -5.299 -9.158 -9.204 1.00 51.21 H new ATOM 0 HB2 LYS A 68 -6.145 -9.864 -6.367 1.00 72.31 H new ATOM 0 HB3 LYS A 68 -6.724 -8.505 -7.308 1.00 72.31 H new ATOM 0 HG2 LYS A 68 -7.119 -11.413 -8.096 1.00 74.35 H new ATOM 0 HG3 LYS A 68 -8.301 -10.461 -7.221 1.00 74.35 H new ATOM 0 HD2 LYS A 68 -9.093 -9.992 -9.308 1.00 25.31 H new ATOM 0 HD3 LYS A 68 -7.836 -8.770 -9.298 1.00 25.31 H new ATOM 0 HE2 LYS A 68 -6.727 -11.340 -10.103 1.00 54.12 H new ATOM 0 HE3 LYS A 68 -8.116 -10.948 -11.096 1.00 54.12 H new ATOM 0 HZ1 LYS A 68 -6.974 -9.378 -12.151 1.00 34.41 H new ATOM 0 HZ2 LYS A 68 -6.429 -8.668 -10.708 1.00 34.41 H new ATOM 0 HZ3 LYS A 68 -5.576 -9.969 -11.391 1.00 34.41 H new ATOM 1052 N ASN A 69 -3.061 -9.360 -6.903 1.00 35.05 N ATOM 1053 CA ASN A 69 -1.978 -8.655 -6.227 1.00 61.12 C ATOM 1054 C ASN A 69 -0.677 -8.774 -7.016 1.00 31.05 C ATOM 1055 O ASN A 69 0.384 -8.358 -6.550 1.00 12.41 O ATOM 1056 CB ASN A 69 -1.784 -9.209 -4.814 1.00 63.24 C ATOM 1057 CG ASN A 69 -1.726 -8.114 -3.767 1.00 30.22 C ATOM 1058 OD1 ASN A 69 -0.686 -7.885 -3.149 1.00 51.11 O ATOM 1059 ND2 ASN A 69 -2.847 -7.432 -3.562 1.00 22.11 N ATOM 0 H ASN A 69 -3.012 -10.376 -6.831 1.00 35.05 H new ATOM 0 HA ASN A 69 -2.248 -7.601 -6.162 1.00 61.12 H new ATOM 0 HB2 ASN A 69 -2.602 -9.890 -4.578 1.00 63.24 H new ATOM 0 HB3 ASN A 69 -0.863 -9.791 -4.778 1.00 63.24 H new ATOM 0 HD21 ASN A 69 -2.869 -6.684 -2.869 1.00 22.11 H new ATOM 0 HD22 ASN A 69 -3.686 -7.656 -4.098 1.00 22.11 H new ATOM 1066 N PHE A 70 -0.767 -9.345 -8.212 1.00 40.33 N ATOM 1067 CA PHE A 70 0.402 -9.519 -9.066 1.00 25.01 C ATOM 1068 C PHE A 70 0.096 -9.098 -10.500 1.00 63.43 C ATOM 1069 O PHE A 70 0.908 -8.442 -11.153 1.00 11.13 O ATOM 1070 CB PHE A 70 0.868 -10.976 -9.038 1.00 72.41 C ATOM 1071 CG PHE A 70 1.427 -11.402 -7.710 1.00 52.15 C ATOM 1072 CD1 PHE A 70 0.595 -11.565 -6.614 1.00 64.42 C ATOM 1073 CD2 PHE A 70 2.783 -11.639 -7.559 1.00 5.00 C ATOM 1074 CE1 PHE A 70 1.107 -11.956 -5.391 1.00 64.03 C ATOM 1075 CE2 PHE A 70 3.301 -12.030 -6.339 1.00 22.34 C ATOM 1076 CZ PHE A 70 2.462 -12.190 -5.254 1.00 33.04 C ATOM 0 H PHE A 70 -1.637 -9.695 -8.612 1.00 40.33 H new ATOM 0 HA PHE A 70 1.199 -8.883 -8.682 1.00 25.01 H new ATOM 0 HB2 PHE A 70 0.029 -11.622 -9.294 1.00 72.41 H new ATOM 0 HB3 PHE A 70 1.628 -11.121 -9.806 1.00 72.41 H new ATOM 0 HD1 PHE A 70 -0.465 -11.385 -6.716 1.00 64.42 H new ATOM 0 HD2 PHE A 70 3.443 -11.517 -8.405 1.00 5.00 H new ATOM 0 HE1 PHE A 70 0.449 -12.078 -4.544 1.00 64.03 H new ATOM 0 HE2 PHE A 70 4.361 -12.210 -6.234 1.00 22.34 H new ATOM 0 HZ PHE A 70 2.864 -12.497 -4.300 1.00 33.04 H new ATOM 1086 N SER A 71 -1.080 -9.482 -10.985 1.00 34.31 N ATOM 1087 CA SER A 71 -1.493 -9.149 -12.343 1.00 70.43 C ATOM 1088 C SER A 71 -2.235 -7.817 -12.374 1.00 53.25 C ATOM 1089 O SER A 71 -1.942 -6.949 -13.197 1.00 62.31 O ATOM 1090 CB SER A 71 -2.383 -10.255 -12.914 1.00 60.20 C ATOM 1091 OG SER A 71 -1.930 -10.665 -14.193 1.00 31.44 O ATOM 0 H SER A 71 -1.764 -10.024 -10.457 1.00 34.31 H new ATOM 0 HA SER A 71 -0.597 -9.060 -12.957 1.00 70.43 H new ATOM 0 HB2 SER A 71 -2.388 -11.108 -12.236 1.00 60.20 H new ATOM 0 HB3 SER A 71 -3.411 -9.899 -12.986 1.00 60.20 H new ATOM 0 HG SER A 71 -2.514 -11.373 -14.535 1.00 31.44 H new ATOM 1097 N SER A 72 -3.199 -7.662 -11.472 1.00 23.01 N ATOM 1098 CA SER A 72 -3.987 -6.437 -11.397 1.00 63.34 C ATOM 1099 C SER A 72 -4.850 -6.270 -12.644 1.00 32.20 C ATOM 1100 O SER A 72 -5.413 -5.202 -12.884 1.00 45.14 O ATOM 1101 CB SER A 72 -3.069 -5.224 -11.233 1.00 22.54 C ATOM 1102 OG SER A 72 -3.731 -4.173 -10.551 1.00 5.00 O ATOM 0 H SER A 72 -3.453 -8.370 -10.783 1.00 23.01 H new ATOM 0 HA SER A 72 -4.642 -6.508 -10.529 1.00 63.34 H new ATOM 0 HB2 SER A 72 -2.174 -5.513 -10.682 1.00 22.54 H new ATOM 0 HB3 SER A 72 -2.741 -4.877 -12.213 1.00 22.54 H new ATOM 0 HG SER A 72 -3.123 -3.410 -10.457 1.00 5.00 H new ATOM 1108 N SER A 73 -4.950 -7.335 -13.434 1.00 13.51 N ATOM 1109 CA SER A 73 -5.742 -7.306 -14.658 1.00 63.03 C ATOM 1110 C SER A 73 -6.574 -8.577 -14.797 1.00 64.31 C ATOM 1111 O SER A 73 -7.717 -8.537 -15.249 1.00 75.42 O ATOM 1112 CB SER A 73 -4.830 -7.144 -15.876 1.00 71.02 C ATOM 1113 OG SER A 73 -5.524 -6.543 -16.956 1.00 63.10 O ATOM 0 H SER A 73 -4.493 -8.228 -13.248 1.00 13.51 H new ATOM 0 HA SER A 73 -6.419 -6.454 -14.604 1.00 63.03 H new ATOM 0 HB2 SER A 73 -3.967 -6.534 -15.610 1.00 71.02 H new ATOM 0 HB3 SER A 73 -4.449 -8.119 -16.181 1.00 71.02 H new ATOM 0 HG SER A 73 -4.919 -6.449 -17.721 1.00 63.10 H new ATOM 1119 N ALA A 74 -5.990 -9.705 -14.405 1.00 3.24 N ATOM 1120 CA ALA A 74 -6.676 -10.988 -14.483 1.00 34.12 C ATOM 1121 C ALA A 74 -7.975 -10.965 -13.684 1.00 73.32 C ATOM 1122 O ALA A 74 -8.393 -9.918 -13.191 1.00 55.42 O ATOM 1123 CB ALA A 74 -5.769 -12.104 -13.986 1.00 43.41 C ATOM 0 H ALA A 74 -5.043 -9.756 -14.030 1.00 3.24 H new ATOM 0 HA ALA A 74 -6.925 -11.175 -15.528 1.00 34.12 H new ATOM 0 HB1 ALA A 74 -6.295 -13.056 -14.050 1.00 43.41 H new ATOM 0 HB2 ALA A 74 -4.870 -12.144 -14.601 1.00 43.41 H new ATOM 0 HB3 ALA A 74 -5.491 -11.912 -12.950 1.00 43.41 H new ATOM 1129 N ARG A 75 -8.609 -12.127 -13.561 1.00 53.21 N ATOM 1130 CA ARG A 75 -9.862 -12.239 -12.824 1.00 30.02 C ATOM 1131 C ARG A 75 -9.673 -13.064 -11.554 1.00 13.53 C ATOM 1132 O ARG A 75 -9.856 -12.564 -10.444 1.00 11.24 O ATOM 1133 CB ARG A 75 -10.940 -12.876 -13.702 1.00 54.34 C ATOM 1134 CG ARG A 75 -10.382 -13.722 -14.835 1.00 51.20 C ATOM 1135 CD ARG A 75 -11.419 -14.702 -15.361 1.00 64.13 C ATOM 1136 NE ARG A 75 -12.632 -14.026 -15.811 1.00 74.23 N ATOM 1137 CZ ARG A 75 -12.730 -13.387 -16.971 1.00 53.45 C ATOM 1138 NH1 ARG A 75 -11.692 -13.337 -17.794 1.00 41.43 N ATOM 1139 NH2 ARG A 75 -13.869 -12.796 -17.311 1.00 1.22 N ATOM 0 H ARG A 75 -8.276 -13.004 -13.962 1.00 53.21 H new ATOM 0 HA ARG A 75 -10.179 -11.235 -12.542 1.00 30.02 H new ATOM 0 HB2 ARG A 75 -11.584 -13.497 -13.079 1.00 54.34 H new ATOM 0 HB3 ARG A 75 -11.566 -12.089 -14.122 1.00 54.34 H new ATOM 0 HG2 ARG A 75 -10.049 -13.073 -15.645 1.00 51.20 H new ATOM 0 HG3 ARG A 75 -9.507 -14.270 -14.485 1.00 51.20 H new ATOM 0 HD2 ARG A 75 -10.993 -15.271 -16.187 1.00 64.13 H new ATOM 0 HD3 ARG A 75 -11.672 -15.417 -14.578 1.00 64.13 H new ATOM 0 HE ARG A 75 -13.449 -14.046 -15.201 1.00 74.23 H new ATOM 0 HH11 ARG A 75 -10.815 -13.790 -17.537 1.00 41.43 H new ATOM 0 HH12 ARG A 75 -11.770 -12.845 -18.684 1.00 41.43 H new ATOM 0 HH21 ARG A 75 -14.670 -12.832 -16.681 1.00 1.22 H new ATOM 0 HH22 ARG A 75 -13.943 -12.306 -18.202 1.00 1.22 H new ATOM 1153 N VAL A 76 -9.307 -14.330 -11.725 1.00 40.23 N ATOM 1154 CA VAL A 76 -9.093 -15.224 -10.594 1.00 0.24 C ATOM 1155 C VAL A 76 -8.250 -16.428 -10.997 1.00 31.54 C ATOM 1156 O VAL A 76 -7.926 -16.609 -12.171 1.00 53.54 O ATOM 1157 CB VAL A 76 -10.429 -15.719 -10.009 1.00 12.54 C ATOM 1158 CG1 VAL A 76 -11.028 -14.670 -9.083 1.00 24.52 C ATOM 1159 CG2 VAL A 76 -11.400 -16.073 -11.125 1.00 12.23 C ATOM 0 H VAL A 76 -9.152 -14.760 -12.637 1.00 40.23 H new ATOM 0 HA VAL A 76 -8.562 -14.651 -9.834 1.00 0.24 H new ATOM 0 HB VAL A 76 -10.239 -16.619 -9.424 1.00 12.54 H new ATOM 0 HG11 VAL A 76 -11.971 -15.037 -8.679 1.00 24.52 H new ATOM 0 HG12 VAL A 76 -10.336 -14.470 -8.265 1.00 24.52 H new ATOM 0 HG13 VAL A 76 -11.206 -13.751 -9.641 1.00 24.52 H new ATOM 0 HG21 VAL A 76 -12.339 -16.421 -10.694 1.00 12.23 H new ATOM 0 HG22 VAL A 76 -11.587 -15.191 -11.738 1.00 12.23 H new ATOM 0 HG23 VAL A 76 -10.971 -16.861 -11.744 1.00 12.23 H new ATOM 1169 N LEU A 77 -7.898 -17.252 -10.015 1.00 43.34 N ATOM 1170 CA LEU A 77 -7.092 -18.442 -10.267 1.00 51.42 C ATOM 1171 C LEU A 77 -7.928 -19.537 -10.922 1.00 10.32 C ATOM 1172 O LEU A 77 -9.158 -19.479 -10.920 1.00 72.32 O ATOM 1173 CB LEU A 77 -6.487 -18.958 -8.960 1.00 75.05 C ATOM 1174 CG LEU A 77 -5.560 -17.992 -8.222 1.00 34.01 C ATOM 1175 CD1 LEU A 77 -4.821 -18.711 -7.104 1.00 15.01 C ATOM 1176 CD2 LEU A 77 -4.575 -17.353 -9.190 1.00 15.00 C ATOM 0 H LEU A 77 -8.158 -17.118 -9.038 1.00 43.34 H new ATOM 0 HA LEU A 77 -6.287 -18.168 -10.949 1.00 51.42 H new ATOM 0 HB2 LEU A 77 -7.301 -19.232 -8.289 1.00 75.05 H new ATOM 0 HB3 LEU A 77 -5.931 -19.870 -9.176 1.00 75.05 H new ATOM 0 HG LEU A 77 -6.167 -17.203 -7.780 1.00 34.01 H new ATOM 0 HD11 LEU A 77 -4.166 -18.008 -6.590 1.00 15.01 H new ATOM 0 HD12 LEU A 77 -5.542 -19.120 -6.396 1.00 15.01 H new ATOM 0 HD13 LEU A 77 -4.225 -19.521 -7.524 1.00 15.01 H new ATOM 0 HD21 LEU A 77 -3.923 -16.669 -8.647 1.00 15.00 H new ATOM 0 HD22 LEU A 77 -3.973 -18.129 -9.662 1.00 15.00 H new ATOM 0 HD23 LEU A 77 -5.122 -16.803 -9.955 1.00 15.00 H new ATOM 1188 N THR A 78 -7.252 -20.536 -11.480 1.00 71.21 N ATOM 1189 CA THR A 78 -7.932 -21.645 -12.137 1.00 62.43 C ATOM 1190 C THR A 78 -7.614 -22.969 -11.451 1.00 63.15 C ATOM 1191 O THR A 78 -7.008 -22.994 -10.380 1.00 64.34 O ATOM 1192 CB THR A 78 -7.540 -21.743 -13.624 1.00 23.13 C ATOM 1193 OG1 THR A 78 -8.463 -22.588 -14.319 1.00 52.34 O ATOM 1194 CG2 THR A 78 -6.129 -22.291 -13.776 1.00 60.53 C ATOM 0 H THR A 78 -6.234 -20.600 -11.490 1.00 71.21 H new ATOM 0 HA THR A 78 -9.002 -21.448 -12.063 1.00 62.43 H new ATOM 0 HB THR A 78 -7.572 -20.741 -14.053 1.00 23.13 H new ATOM 0 HG1 THR A 78 -8.208 -22.644 -15.264 1.00 52.34 H new ATOM 0 HG21 THR A 78 -5.874 -22.351 -14.834 1.00 60.53 H new ATOM 0 HG22 THR A 78 -5.425 -21.630 -13.270 1.00 60.53 H new ATOM 0 HG23 THR A 78 -6.075 -23.285 -13.333 1.00 60.53 H new ATOM 1202 N SER A 79 -8.026 -24.068 -12.076 1.00 2.22 N ATOM 1203 CA SER A 79 -7.787 -25.396 -11.523 1.00 71.04 C ATOM 1204 C SER A 79 -6.335 -25.817 -11.730 1.00 33.33 C ATOM 1205 O SER A 79 -6.056 -26.827 -12.376 1.00 53.41 O ATOM 1206 CB SER A 79 -8.723 -26.417 -12.172 1.00 74.23 C ATOM 1207 OG SER A 79 -10.070 -25.979 -12.120 1.00 72.51 O ATOM 0 H SER A 79 -8.526 -24.065 -12.965 1.00 2.22 H new ATOM 0 HA SER A 79 -7.987 -25.359 -10.452 1.00 71.04 H new ATOM 0 HB2 SER A 79 -8.429 -26.577 -13.209 1.00 74.23 H new ATOM 0 HB3 SER A 79 -8.629 -27.376 -11.663 1.00 74.23 H new ATOM 0 HG SER A 79 -10.648 -26.648 -12.543 1.00 72.51 H new ATOM 1213 N ALA A 80 -5.415 -25.036 -11.175 1.00 45.32 N ATOM 1214 CA ALA A 80 -3.992 -25.328 -11.296 1.00 5.51 C ATOM 1215 C ALA A 80 -3.156 -24.315 -10.521 1.00 3.41 C ATOM 1216 O ALA A 80 -2.148 -24.667 -9.909 1.00 31.11 O ATOM 1217 CB ALA A 80 -3.579 -25.345 -12.760 1.00 63.22 C ATOM 0 H ALA A 80 -5.629 -24.196 -10.637 1.00 45.32 H new ATOM 0 HA ALA A 80 -3.811 -26.314 -10.867 1.00 5.51 H new ATOM 0 HB1 ALA A 80 -2.514 -25.564 -12.835 1.00 63.22 H new ATOM 0 HB2 ALA A 80 -4.145 -26.111 -13.289 1.00 63.22 H new ATOM 0 HB3 ALA A 80 -3.781 -24.371 -13.206 1.00 63.22 H new ATOM 1223 N GLU A 81 -3.581 -23.055 -10.553 1.00 21.45 N ATOM 1224 CA GLU A 81 -2.869 -21.992 -9.854 1.00 13.25 C ATOM 1225 C GLU A 81 -3.200 -22.004 -8.364 1.00 11.41 C ATOM 1226 O GLU A 81 -2.306 -21.995 -7.517 1.00 31.21 O ATOM 1227 CB GLU A 81 -3.223 -20.630 -10.455 1.00 73.10 C ATOM 1228 CG GLU A 81 -2.889 -20.512 -11.933 1.00 34.14 C ATOM 1229 CD GLU A 81 -2.584 -19.086 -12.350 1.00 31.54 C ATOM 1230 OE1 GLU A 81 -1.740 -18.444 -11.690 1.00 71.03 O ATOM 1231 OE2 GLU A 81 -3.189 -18.613 -13.334 1.00 62.43 O ATOM 0 H GLU A 81 -4.414 -22.746 -11.055 1.00 21.45 H new ATOM 0 HA GLU A 81 -1.800 -22.167 -9.973 1.00 13.25 H new ATOM 0 HB2 GLU A 81 -4.288 -20.447 -10.316 1.00 73.10 H new ATOM 0 HB3 GLU A 81 -2.692 -19.851 -9.908 1.00 73.10 H new ATOM 0 HG2 GLU A 81 -2.030 -21.144 -12.159 1.00 34.14 H new ATOM 0 HG3 GLU A 81 -3.726 -20.888 -12.522 1.00 34.14 H new ATOM 1238 N THR A 82 -4.492 -22.022 -8.051 1.00 30.44 N ATOM 1239 CA THR A 82 -4.942 -22.033 -6.665 1.00 33.54 C ATOM 1240 C THR A 82 -4.473 -23.292 -5.944 1.00 73.31 C ATOM 1241 O THR A 82 -4.114 -23.250 -4.767 1.00 53.41 O ATOM 1242 CB THR A 82 -6.477 -21.944 -6.572 1.00 33.32 C ATOM 1243 OG1 THR A 82 -7.018 -21.496 -7.820 1.00 33.53 O ATOM 1244 CG2 THR A 82 -6.898 -20.994 -5.461 1.00 30.33 C ATOM 0 H THR A 82 -5.245 -22.029 -8.739 1.00 30.44 H new ATOM 0 HA THR A 82 -4.505 -21.158 -6.184 1.00 33.54 H new ATOM 0 HB THR A 82 -6.863 -22.938 -6.344 1.00 33.32 H new ATOM 0 HG1 THR A 82 -7.994 -21.444 -7.753 1.00 33.53 H new ATOM 0 HG21 THR A 82 -7.986 -20.948 -5.415 1.00 30.33 H new ATOM 0 HG22 THR A 82 -6.509 -21.353 -4.508 1.00 30.33 H new ATOM 0 HG23 THR A 82 -6.501 -19.999 -5.663 1.00 30.33 H new ATOM 1252 N LYS A 83 -4.478 -24.413 -6.658 1.00 22.14 N ATOM 1253 CA LYS A 83 -4.051 -25.685 -6.087 1.00 62.45 C ATOM 1254 C LYS A 83 -2.540 -25.710 -5.882 1.00 45.24 C ATOM 1255 O LYS A 83 -2.054 -26.089 -4.817 1.00 34.00 O ATOM 1256 CB LYS A 83 -4.472 -26.842 -6.997 1.00 25.11 C ATOM 1257 CG LYS A 83 -5.964 -26.887 -7.273 1.00 54.53 C ATOM 1258 CD LYS A 83 -6.417 -28.282 -7.670 1.00 42.33 C ATOM 1259 CE LYS A 83 -7.924 -28.345 -7.863 1.00 32.23 C ATOM 1260 NZ LYS A 83 -8.652 -28.295 -6.564 1.00 63.43 N ATOM 0 H LYS A 83 -4.773 -24.466 -7.633 1.00 22.14 H new ATOM 0 HA LYS A 83 -4.533 -25.799 -5.116 1.00 62.45 H new ATOM 0 HB2 LYS A 83 -3.938 -26.761 -7.944 1.00 25.11 H new ATOM 0 HB3 LYS A 83 -4.167 -27.783 -6.539 1.00 25.11 H new ATOM 0 HG2 LYS A 83 -6.509 -26.566 -6.385 1.00 54.53 H new ATOM 0 HG3 LYS A 83 -6.209 -26.184 -8.069 1.00 54.53 H new ATOM 0 HD2 LYS A 83 -5.918 -28.579 -8.593 1.00 42.33 H new ATOM 0 HD3 LYS A 83 -6.117 -28.995 -6.902 1.00 42.33 H new ATOM 0 HE2 LYS A 83 -8.245 -27.514 -8.491 1.00 32.23 H new ATOM 0 HE3 LYS A 83 -8.185 -29.263 -8.390 1.00 32.23 H new ATOM 0 HZ1 LYS A 83 -9.672 -28.408 -6.733 1.00 63.43 H new ATOM 0 HZ2 LYS A 83 -8.316 -29.062 -5.948 1.00 63.43 H new ATOM 0 HZ3 LYS A 83 -8.477 -27.379 -6.103 1.00 63.43 H new ATOM 1274 N ALA A 84 -1.801 -25.302 -6.909 1.00 41.31 N ATOM 1275 CA ALA A 84 -0.345 -25.274 -6.840 1.00 13.44 C ATOM 1276 C ALA A 84 0.137 -24.205 -5.864 1.00 63.25 C ATOM 1277 O ALA A 84 1.323 -24.138 -5.538 1.00 74.11 O ATOM 1278 CB ALA A 84 0.245 -25.035 -8.222 1.00 14.33 C ATOM 0 H ALA A 84 -2.187 -24.986 -7.799 1.00 41.31 H new ATOM 0 HA ALA A 84 -0.004 -26.243 -6.475 1.00 13.44 H new ATOM 0 HB1 ALA A 84 1.333 -25.017 -8.155 1.00 14.33 H new ATOM 0 HB2 ALA A 84 -0.064 -25.837 -8.893 1.00 14.33 H new ATOM 0 HB3 ALA A 84 -0.111 -24.080 -8.609 1.00 14.33 H new ATOM 1284 N PHE A 85 -0.788 -23.371 -5.403 1.00 12.32 N ATOM 1285 CA PHE A 85 -0.456 -22.304 -4.466 1.00 14.32 C ATOM 1286 C PHE A 85 -0.896 -22.666 -3.050 1.00 75.45 C ATOM 1287 O PHE A 85 -0.138 -22.511 -2.093 1.00 4.32 O ATOM 1288 CB PHE A 85 -1.118 -20.993 -4.897 1.00 64.15 C ATOM 1289 CG PHE A 85 -0.650 -19.800 -4.115 1.00 12.44 C ATOM 1290 CD1 PHE A 85 0.559 -19.191 -4.410 1.00 22.24 C ATOM 1291 CD2 PHE A 85 -1.420 -19.286 -3.083 1.00 60.41 C ATOM 1292 CE1 PHE A 85 0.992 -18.092 -3.691 1.00 61.44 C ATOM 1293 CE2 PHE A 85 -0.992 -18.188 -2.362 1.00 15.23 C ATOM 1294 CZ PHE A 85 0.216 -17.591 -2.665 1.00 55.24 C ATOM 0 H PHE A 85 -1.774 -23.413 -5.663 1.00 12.32 H new ATOM 0 HA PHE A 85 0.626 -22.176 -4.470 1.00 14.32 H new ATOM 0 HB2 PHE A 85 -0.918 -20.825 -5.955 1.00 64.15 H new ATOM 0 HB3 PHE A 85 -2.198 -21.088 -4.788 1.00 64.15 H new ATOM 0 HD1 PHE A 85 1.171 -19.579 -5.211 1.00 22.24 H new ATOM 0 HD2 PHE A 85 -2.365 -19.749 -2.840 1.00 60.41 H new ATOM 0 HE1 PHE A 85 1.936 -17.626 -3.932 1.00 61.44 H new ATOM 0 HE2 PHE A 85 -1.602 -17.796 -1.561 1.00 15.23 H new ATOM 0 HZ PHE A 85 0.553 -16.734 -2.101 1.00 55.24 H new ATOM 1304 N LEU A 86 -2.127 -23.150 -2.926 1.00 74.31 N ATOM 1305 CA LEU A 86 -2.671 -23.535 -1.628 1.00 65.30 C ATOM 1306 C LEU A 86 -1.967 -24.777 -1.090 1.00 2.02 C ATOM 1307 O LEU A 86 -1.450 -24.774 0.027 1.00 64.42 O ATOM 1308 CB LEU A 86 -4.174 -23.795 -1.739 1.00 1.01 C ATOM 1309 CG LEU A 86 -4.997 -23.522 -0.479 1.00 41.04 C ATOM 1310 CD1 LEU A 86 -6.452 -23.263 -0.838 1.00 61.12 C ATOM 1311 CD2 LEU A 86 -4.885 -24.686 0.494 1.00 63.42 C ATOM 0 H LEU A 86 -2.767 -23.285 -3.708 1.00 74.31 H new ATOM 0 HA LEU A 86 -2.502 -22.713 -0.932 1.00 65.30 H new ATOM 0 HB2 LEU A 86 -4.570 -23.181 -2.548 1.00 1.01 H new ATOM 0 HB3 LEU A 86 -4.322 -24.836 -2.027 1.00 1.01 H new ATOM 0 HG LEU A 86 -4.599 -22.630 0.006 1.00 41.04 H new ATOM 0 HD11 LEU A 86 -7.022 -23.071 0.071 1.00 61.12 H new ATOM 0 HD12 LEU A 86 -6.516 -22.397 -1.496 1.00 61.12 H new ATOM 0 HD13 LEU A 86 -6.862 -24.136 -1.346 1.00 61.12 H new ATOM 0 HD21 LEU A 86 -5.477 -24.474 1.384 1.00 63.42 H new ATOM 0 HD22 LEU A 86 -5.256 -25.594 0.019 1.00 63.42 H new ATOM 0 HD23 LEU A 86 -3.841 -24.825 0.777 1.00 63.42 H new ATOM 1323 N ALA A 87 -1.950 -25.836 -1.893 1.00 3.12 N ATOM 1324 CA ALA A 87 -1.306 -27.083 -1.499 1.00 3.20 C ATOM 1325 C ALA A 87 0.201 -26.899 -1.348 1.00 74.03 C ATOM 1326 O ALA A 87 0.885 -27.748 -0.778 1.00 11.11 O ATOM 1327 CB ALA A 87 -1.607 -28.176 -2.514 1.00 11.24 C ATOM 0 H ALA A 87 -2.375 -25.855 -2.820 1.00 3.12 H new ATOM 0 HA ALA A 87 -1.708 -27.381 -0.531 1.00 3.20 H new ATOM 0 HB1 ALA A 87 -1.120 -29.102 -2.207 1.00 11.24 H new ATOM 0 HB2 ALA A 87 -2.684 -28.334 -2.570 1.00 11.24 H new ATOM 0 HB3 ALA A 87 -1.233 -27.876 -3.493 1.00 11.24 H new ATOM 1333 N ALA A 88 0.711 -25.785 -1.864 1.00 73.40 N ATOM 1334 CA ALA A 88 2.136 -25.490 -1.785 1.00 71.23 C ATOM 1335 C ALA A 88 2.435 -24.526 -0.642 1.00 75.12 C ATOM 1336 O ALA A 88 3.529 -24.534 -0.081 1.00 2.51 O ATOM 1337 CB ALA A 88 2.630 -24.916 -3.105 1.00 74.01 C ATOM 0 H ALA A 88 0.158 -25.073 -2.341 1.00 73.40 H new ATOM 0 HA ALA A 88 2.664 -26.423 -1.586 1.00 71.23 H new ATOM 0 HB1 ALA A 88 3.696 -24.700 -3.032 1.00 74.01 H new ATOM 0 HB2 ALA A 88 2.460 -25.639 -3.903 1.00 74.01 H new ATOM 0 HB3 ALA A 88 2.088 -23.997 -3.327 1.00 74.01 H new ATOM 1343 N GLY A 89 1.453 -23.696 -0.302 1.00 41.24 N ATOM 1344 CA GLY A 89 1.631 -22.737 0.772 1.00 44.42 C ATOM 1345 C GLY A 89 1.108 -23.249 2.099 1.00 4.32 C ATOM 1346 O GLY A 89 1.876 -23.449 3.041 1.00 72.22 O ATOM 0 H GLY A 89 0.538 -23.671 -0.751 1.00 41.24 H new ATOM 0 HA2 GLY A 89 2.690 -22.498 0.870 1.00 44.42 H new ATOM 0 HA3 GLY A 89 1.118 -21.810 0.516 1.00 44.42 H new ATOM 1350 N ASP A 90 -0.201 -23.459 2.176 1.00 60.34 N ATOM 1351 CA ASP A 90 -0.826 -23.951 3.398 1.00 13.40 C ATOM 1352 C ASP A 90 -0.093 -25.178 3.928 1.00 24.51 C ATOM 1353 O ASP A 90 -0.240 -26.281 3.399 1.00 53.41 O ATOM 1354 CB ASP A 90 -2.296 -24.290 3.144 1.00 41.52 C ATOM 1355 CG ASP A 90 -2.888 -25.157 4.238 1.00 43.54 C ATOM 1356 OD1 ASP A 90 -2.729 -24.804 5.425 1.00 31.35 O ATOM 1357 OD2 ASP A 90 -3.510 -26.187 3.906 1.00 52.21 O ATOM 0 H ASP A 90 -0.850 -23.296 1.406 1.00 60.34 H new ATOM 0 HA ASP A 90 -0.767 -23.163 4.149 1.00 13.40 H new ATOM 0 HB2 ASP A 90 -2.870 -23.367 3.065 1.00 41.52 H new ATOM 0 HB3 ASP A 90 -2.387 -24.805 2.187 1.00 41.52 H new ATOM 1362 N THR A 91 0.700 -24.981 4.977 1.00 45.12 N ATOM 1363 CA THR A 91 1.459 -26.071 5.577 1.00 2.23 C ATOM 1364 C THR A 91 1.000 -26.338 7.006 1.00 20.50 C ATOM 1365 O THR A 91 0.823 -27.489 7.406 1.00 62.30 O ATOM 1366 CB THR A 91 2.969 -25.767 5.584 1.00 63.12 C ATOM 1367 OG1 THR A 91 3.184 -24.352 5.628 1.00 63.12 O ATOM 1368 CG2 THR A 91 3.644 -26.350 4.351 1.00 53.51 C ATOM 0 H THR A 91 0.833 -24.076 5.429 1.00 45.12 H new ATOM 0 HA THR A 91 1.277 -26.956 4.968 1.00 2.23 H new ATOM 0 HB THR A 91 3.406 -26.228 6.470 1.00 63.12 H new ATOM 0 HG1 THR A 91 2.930 -23.956 4.768 1.00 63.12 H new ATOM 0 HG21 THR A 91 4.710 -26.123 4.378 1.00 53.51 H new ATOM 0 HG22 THR A 91 3.504 -27.431 4.336 1.00 53.51 H new ATOM 0 HG23 THR A 91 3.203 -25.915 3.454 1.00 53.51 H new ATOM 1376 N ASP A 92 0.808 -25.269 7.771 1.00 60.33 N ATOM 1377 CA ASP A 92 0.367 -25.389 9.156 1.00 62.14 C ATOM 1378 C ASP A 92 -1.155 -25.447 9.238 1.00 0.44 C ATOM 1379 O ASP A 92 -1.715 -26.116 10.106 1.00 42.23 O ATOM 1380 CB ASP A 92 0.891 -24.215 9.983 1.00 3.44 C ATOM 1381 CG ASP A 92 0.479 -24.303 11.440 1.00 61.23 C ATOM 1382 OD1 ASP A 92 1.154 -25.024 12.205 1.00 52.01 O ATOM 1383 OD2 ASP A 92 -0.517 -23.651 11.814 1.00 14.05 O ATOM 0 H ASP A 92 0.951 -24.310 7.456 1.00 60.33 H new ATOM 0 HA ASP A 92 0.770 -26.317 9.561 1.00 62.14 H new ATOM 0 HB2 ASP A 92 1.979 -24.185 9.917 1.00 3.44 H new ATOM 0 HB3 ASP A 92 0.520 -23.282 9.559 1.00 3.44 H new ATOM 1388 N GLY A 93 -1.819 -24.739 8.330 1.00 54.14 N ATOM 1389 CA GLY A 93 -3.270 -24.722 8.318 1.00 34.11 C ATOM 1390 C GLY A 93 -3.860 -25.975 7.701 1.00 41.32 C ATOM 1391 O GLY A 93 -3.145 -26.943 7.442 1.00 20.02 O ATOM 0 H GLY A 93 -1.378 -24.177 7.602 1.00 54.14 H new ATOM 0 HA2 GLY A 93 -3.637 -24.616 9.339 1.00 34.11 H new ATOM 0 HA3 GLY A 93 -3.615 -23.850 7.763 1.00 34.11 H new ATOM 1395 N ASP A 94 -5.167 -25.957 7.465 1.00 32.45 N ATOM 1396 CA ASP A 94 -5.853 -27.101 6.875 1.00 11.02 C ATOM 1397 C ASP A 94 -6.657 -26.679 5.649 1.00 12.04 C ATOM 1398 O ASP A 94 -7.694 -27.266 5.342 1.00 2.23 O ATOM 1399 CB ASP A 94 -6.775 -27.757 7.904 1.00 11.34 C ATOM 1400 CG ASP A 94 -6.010 -28.357 9.067 1.00 31.34 C ATOM 1401 OD1 ASP A 94 -5.314 -27.599 9.775 1.00 33.02 O ATOM 1402 OD2 ASP A 94 -6.108 -29.585 9.270 1.00 21.43 O ATOM 0 H ASP A 94 -5.773 -25.163 7.673 1.00 32.45 H new ATOM 0 HA ASP A 94 -5.099 -27.823 6.562 1.00 11.02 H new ATOM 0 HB2 ASP A 94 -7.480 -27.016 8.280 1.00 11.34 H new ATOM 0 HB3 ASP A 94 -7.361 -28.537 7.418 1.00 11.34 H new ATOM 1407 N GLY A 95 -6.172 -25.656 4.953 1.00 44.33 N ATOM 1408 CA GLY A 95 -6.858 -25.172 3.769 1.00 12.34 C ATOM 1409 C GLY A 95 -6.595 -23.702 3.507 1.00 71.23 C ATOM 1410 O GLY A 95 -6.683 -23.241 2.368 1.00 21.44 O ATOM 0 H GLY A 95 -5.316 -25.153 5.188 1.00 44.33 H new ATOM 0 HA2 GLY A 95 -6.539 -25.755 2.905 1.00 12.34 H new ATOM 0 HA3 GLY A 95 -7.930 -25.331 3.883 1.00 12.34 H new ATOM 1414 N LYS A 96 -6.273 -22.963 4.562 1.00 1.45 N ATOM 1415 CA LYS A 96 -5.996 -21.536 4.442 1.00 34.13 C ATOM 1416 C LYS A 96 -4.499 -21.262 4.543 1.00 13.42 C ATOM 1417 O LYS A 96 -3.713 -22.161 4.842 1.00 1.22 O ATOM 1418 CB LYS A 96 -6.743 -20.758 5.528 1.00 3.32 C ATOM 1419 CG LYS A 96 -8.196 -21.171 5.683 1.00 21.31 C ATOM 1420 CD LYS A 96 -8.830 -20.533 6.908 1.00 62.32 C ATOM 1421 CE LYS A 96 -9.938 -21.404 7.479 1.00 33.02 C ATOM 1422 NZ LYS A 96 -11.146 -21.406 6.609 1.00 75.15 N ATOM 0 H LYS A 96 -6.197 -23.328 5.511 1.00 1.45 H new ATOM 0 HA LYS A 96 -6.342 -21.205 3.463 1.00 34.13 H new ATOM 0 HB2 LYS A 96 -6.231 -20.898 6.480 1.00 3.32 H new ATOM 0 HB3 LYS A 96 -6.699 -19.694 5.296 1.00 3.32 H new ATOM 0 HG2 LYS A 96 -8.754 -20.883 4.792 1.00 21.31 H new ATOM 0 HG3 LYS A 96 -8.260 -22.256 5.763 1.00 21.31 H new ATOM 0 HD2 LYS A 96 -8.067 -20.367 7.669 1.00 62.32 H new ATOM 0 HD3 LYS A 96 -9.234 -19.556 6.643 1.00 62.32 H new ATOM 0 HE2 LYS A 96 -9.574 -22.425 7.597 1.00 33.02 H new ATOM 0 HE3 LYS A 96 -10.207 -21.045 8.473 1.00 33.02 H new ATOM 0 HZ1 LYS A 96 -11.779 -22.180 6.896 1.00 75.15 H new ATOM 0 HZ2 LYS A 96 -11.644 -20.498 6.704 1.00 75.15 H new ATOM 0 HZ3 LYS A 96 -10.860 -21.542 5.618 1.00 75.15 H new ATOM 1436 N ILE A 97 -4.113 -20.015 4.294 1.00 62.14 N ATOM 1437 CA ILE A 97 -2.710 -19.623 4.359 1.00 35.12 C ATOM 1438 C ILE A 97 -2.541 -18.315 5.125 1.00 64.14 C ATOM 1439 O ILE A 97 -3.382 -17.421 5.042 1.00 62.34 O ATOM 1440 CB ILE A 97 -2.104 -19.464 2.953 1.00 61.14 C ATOM 1441 CG1 ILE A 97 -2.110 -20.805 2.216 1.00 24.44 C ATOM 1442 CG2 ILE A 97 -0.690 -18.910 3.045 1.00 62.50 C ATOM 1443 CD1 ILE A 97 -1.479 -20.744 0.843 1.00 40.52 C ATOM 0 H ILE A 97 -4.751 -19.259 4.046 1.00 62.14 H new ATOM 0 HA ILE A 97 -2.183 -20.420 4.884 1.00 35.12 H new ATOM 0 HB ILE A 97 -2.714 -18.758 2.389 1.00 61.14 H new ATOM 0 HG12 ILE A 97 -1.580 -21.543 2.818 1.00 24.44 H new ATOM 0 HG13 ILE A 97 -3.139 -21.152 2.119 1.00 24.44 H new ATOM 0 HG21 ILE A 97 -0.275 -18.803 2.043 1.00 62.50 H new ATOM 0 HG22 ILE A 97 -0.712 -17.936 3.534 1.00 62.50 H new ATOM 0 HG23 ILE A 97 -0.069 -19.593 3.624 1.00 62.50 H new ATOM 0 HD11 ILE A 97 -1.519 -21.730 0.380 1.00 40.52 H new ATOM 0 HD12 ILE A 97 -2.023 -20.030 0.224 1.00 40.52 H new ATOM 0 HD13 ILE A 97 -0.440 -20.428 0.934 1.00 40.52 H new ATOM 1455 N GLY A 98 -1.444 -18.210 5.869 1.00 12.45 N ATOM 1456 CA GLY A 98 -1.182 -17.007 6.638 1.00 53.42 C ATOM 1457 C GLY A 98 0.086 -16.303 6.198 1.00 1.44 C ATOM 1458 O GLY A 98 0.185 -15.838 5.063 1.00 44.13 O ATOM 0 H GLY A 98 -0.732 -18.936 5.953 1.00 12.45 H new ATOM 0 HA2 GLY A 98 -2.026 -16.325 6.538 1.00 53.42 H new ATOM 0 HA3 GLY A 98 -1.103 -17.264 7.694 1.00 53.42 H new ATOM 1462 N VAL A 99 1.059 -16.222 7.101 1.00 41.55 N ATOM 1463 CA VAL A 99 2.328 -15.568 6.800 1.00 35.43 C ATOM 1464 C VAL A 99 3.475 -16.572 6.797 1.00 42.01 C ATOM 1465 O VAL A 99 4.199 -16.698 5.810 1.00 75.45 O ATOM 1466 CB VAL A 99 2.639 -14.453 7.816 1.00 54.13 C ATOM 1467 CG1 VAL A 99 2.483 -13.084 7.170 1.00 25.41 C ATOM 1468 CG2 VAL A 99 1.741 -14.580 9.038 1.00 44.14 C ATOM 0 H VAL A 99 0.993 -16.601 8.046 1.00 41.55 H new ATOM 0 HA VAL A 99 2.231 -15.128 5.807 1.00 35.43 H new ATOM 0 HB VAL A 99 3.674 -14.560 8.141 1.00 54.13 H new ATOM 0 HG11 VAL A 99 2.707 -12.308 7.903 1.00 25.41 H new ATOM 0 HG12 VAL A 99 3.171 -12.998 6.329 1.00 25.41 H new ATOM 0 HG13 VAL A 99 1.459 -12.964 6.815 1.00 25.41 H new ATOM 0 HG21 VAL A 99 1.974 -13.784 9.745 1.00 44.14 H new ATOM 0 HG22 VAL A 99 0.698 -14.500 8.733 1.00 44.14 H new ATOM 0 HG23 VAL A 99 1.907 -15.547 9.512 1.00 44.14 H new ATOM 1478 N GLU A 100 3.635 -17.284 7.908 1.00 0.32 N ATOM 1479 CA GLU A 100 4.696 -18.277 8.033 1.00 53.53 C ATOM 1480 C GLU A 100 4.605 -19.313 6.916 1.00 14.04 C ATOM 1481 O GLU A 100 5.610 -19.900 6.518 1.00 32.30 O ATOM 1482 CB GLU A 100 4.619 -18.970 9.395 1.00 54.33 C ATOM 1483 CG GLU A 100 5.780 -18.634 10.315 1.00 12.43 C ATOM 1484 CD GLU A 100 7.120 -19.041 9.736 1.00 25.41 C ATOM 1485 OE1 GLU A 100 7.134 -19.689 8.669 1.00 70.32 O ATOM 1486 OE2 GLU A 100 8.157 -18.712 10.351 1.00 55.01 O ATOM 0 H GLU A 100 3.044 -17.192 8.734 1.00 0.32 H new ATOM 0 HA GLU A 100 5.653 -17.762 7.950 1.00 53.53 H new ATOM 0 HB2 GLU A 100 3.686 -18.689 9.884 1.00 54.33 H new ATOM 0 HB3 GLU A 100 4.587 -20.049 9.243 1.00 54.33 H new ATOM 0 HG2 GLU A 100 5.784 -17.562 10.512 1.00 12.43 H new ATOM 0 HG3 GLU A 100 5.636 -19.133 11.273 1.00 12.43 H new ATOM 1493 N GLU A 101 3.392 -19.532 6.417 1.00 0.43 N ATOM 1494 CA GLU A 101 3.170 -20.498 5.348 1.00 14.03 C ATOM 1495 C GLU A 101 3.243 -19.824 3.981 1.00 13.43 C ATOM 1496 O GLU A 101 3.302 -20.492 2.949 1.00 34.22 O ATOM 1497 CB GLU A 101 1.810 -21.179 5.521 1.00 24.10 C ATOM 1498 CG GLU A 101 1.614 -21.807 6.891 1.00 53.42 C ATOM 1499 CD GLU A 101 0.155 -22.076 7.205 1.00 30.21 C ATOM 1500 OE1 GLU A 101 -0.416 -23.014 6.610 1.00 61.20 O ATOM 1501 OE2 GLU A 101 -0.416 -21.350 8.045 1.00 3.31 O ATOM 0 H GLU A 101 2.549 -19.054 6.736 1.00 0.43 H new ATOM 0 HA GLU A 101 3.956 -21.251 5.405 1.00 14.03 H new ATOM 0 HB2 GLU A 101 1.022 -20.446 5.350 1.00 24.10 H new ATOM 0 HB3 GLU A 101 1.699 -21.950 4.758 1.00 24.10 H new ATOM 0 HG2 GLU A 101 2.171 -22.742 6.941 1.00 53.42 H new ATOM 0 HG3 GLU A 101 2.030 -21.147 7.652 1.00 53.42 H new ATOM 1508 N PHE A 102 3.238 -18.495 3.983 1.00 52.32 N ATOM 1509 CA PHE A 102 3.302 -17.729 2.744 1.00 51.44 C ATOM 1510 C PHE A 102 4.750 -17.479 2.333 1.00 61.33 C ATOM 1511 O PHE A 102 5.154 -17.806 1.217 1.00 20.32 O ATOM 1512 CB PHE A 102 2.569 -16.395 2.905 1.00 71.31 C ATOM 1513 CG PHE A 102 2.539 -15.572 1.649 1.00 2.22 C ATOM 1514 CD1 PHE A 102 3.566 -14.688 1.360 1.00 3.44 C ATOM 1515 CD2 PHE A 102 1.485 -15.682 0.757 1.00 32.22 C ATOM 1516 CE1 PHE A 102 3.541 -13.928 0.206 1.00 31.10 C ATOM 1517 CE2 PHE A 102 1.454 -14.926 -0.399 1.00 41.51 C ATOM 1518 CZ PHE A 102 2.484 -14.048 -0.675 1.00 62.14 C ATOM 0 H PHE A 102 3.190 -17.926 4.829 1.00 52.32 H new ATOM 0 HA PHE A 102 2.815 -18.311 1.961 1.00 51.44 H new ATOM 0 HB2 PHE A 102 1.546 -16.588 3.228 1.00 71.31 H new ATOM 0 HB3 PHE A 102 3.049 -15.819 3.696 1.00 71.31 H new ATOM 0 HD1 PHE A 102 4.396 -14.592 2.045 1.00 3.44 H new ATOM 0 HD2 PHE A 102 0.677 -16.367 0.968 1.00 32.22 H new ATOM 0 HE1 PHE A 102 4.347 -13.241 -0.007 1.00 31.10 H new ATOM 0 HE2 PHE A 102 0.626 -15.021 -1.086 1.00 41.51 H new ATOM 0 HZ PHE A 102 2.463 -13.456 -1.578 1.00 62.14 H new ATOM 1528 N GLN A 103 5.525 -16.898 3.242 1.00 2.52 N ATOM 1529 CA GLN A 103 6.928 -16.603 2.974 1.00 12.10 C ATOM 1530 C GLN A 103 7.727 -17.888 2.781 1.00 13.34 C ATOM 1531 O GLN A 103 8.700 -17.918 2.028 1.00 73.20 O ATOM 1532 CB GLN A 103 7.526 -15.783 4.118 1.00 4.22 C ATOM 1533 CG GLN A 103 7.498 -16.498 5.459 1.00 30.22 C ATOM 1534 CD GLN A 103 8.321 -15.789 6.517 1.00 60.15 C ATOM 1535 OE1 GLN A 103 8.775 -14.662 6.314 1.00 34.33 O ATOM 1536 NE2 GLN A 103 8.518 -16.447 7.653 1.00 3.32 N ATOM 0 H GLN A 103 5.206 -16.622 4.171 1.00 2.52 H new ATOM 0 HA GLN A 103 6.982 -16.022 2.053 1.00 12.10 H new ATOM 0 HB2 GLN A 103 8.557 -15.530 3.872 1.00 4.22 H new ATOM 0 HB3 GLN A 103 6.980 -14.844 4.205 1.00 4.22 H new ATOM 0 HG2 GLN A 103 6.466 -16.580 5.801 1.00 30.22 H new ATOM 0 HG3 GLN A 103 7.873 -17.514 5.333 1.00 30.22 H new ATOM 0 HE21 GLN A 103 8.123 -17.379 7.778 1.00 3.32 H new ATOM 0 HE22 GLN A 103 9.064 -16.020 8.401 1.00 3.32 H new ATOM 1545 N SER A 104 7.309 -18.947 3.468 1.00 44.22 N ATOM 1546 CA SER A 104 7.989 -20.234 3.375 1.00 12.34 C ATOM 1547 C SER A 104 7.823 -20.837 1.984 1.00 34.10 C ATOM 1548 O SER A 104 8.543 -21.761 1.605 1.00 22.41 O ATOM 1549 CB SER A 104 7.444 -21.199 4.431 1.00 44.45 C ATOM 1550 OG SER A 104 8.095 -22.455 4.357 1.00 63.23 O ATOM 0 H SER A 104 6.504 -18.939 4.094 1.00 44.22 H new ATOM 0 HA SER A 104 9.051 -20.070 3.556 1.00 12.34 H new ATOM 0 HB2 SER A 104 7.582 -20.772 5.424 1.00 44.45 H new ATOM 0 HB3 SER A 104 6.372 -21.332 4.288 1.00 44.45 H new ATOM 0 HG SER A 104 8.524 -22.550 3.481 1.00 63.23 H new ATOM 1556 N LEU A 105 6.868 -20.308 1.227 1.00 32.01 N ATOM 1557 CA LEU A 105 6.605 -20.793 -0.123 1.00 61.24 C ATOM 1558 C LEU A 105 7.248 -19.882 -1.164 1.00 41.01 C ATOM 1559 O LEU A 105 8.034 -20.332 -1.998 1.00 4.14 O ATOM 1560 CB LEU A 105 5.098 -20.884 -0.370 1.00 21.02 C ATOM 1561 CG LEU A 105 4.654 -21.858 -1.462 1.00 21.03 C ATOM 1562 CD1 LEU A 105 3.205 -21.604 -1.846 1.00 73.31 C ATOM 1563 CD2 LEU A 105 5.559 -21.742 -2.680 1.00 31.42 C ATOM 0 H LEU A 105 6.263 -19.543 1.525 1.00 32.01 H new ATOM 0 HA LEU A 105 7.043 -21.787 -0.216 1.00 61.24 H new ATOM 0 HB2 LEU A 105 4.614 -21.171 0.563 1.00 21.02 H new ATOM 0 HB3 LEU A 105 4.732 -19.890 -0.627 1.00 21.02 H new ATOM 0 HG LEU A 105 4.732 -22.873 -1.071 1.00 21.03 H new ATOM 0 HD11 LEU A 105 2.906 -22.306 -2.624 1.00 73.31 H new ATOM 0 HD12 LEU A 105 2.568 -21.739 -0.972 1.00 73.31 H new ATOM 0 HD13 LEU A 105 3.100 -20.585 -2.218 1.00 73.31 H new ATOM 0 HD21 LEU A 105 5.228 -22.442 -3.447 1.00 31.42 H new ATOM 0 HD22 LEU A 105 5.513 -20.726 -3.072 1.00 31.42 H new ATOM 0 HD23 LEU A 105 6.585 -21.974 -2.394 1.00 31.42 H new ATOM 1575 N VAL A 106 6.910 -18.598 -1.108 1.00 52.44 N ATOM 1576 CA VAL A 106 7.456 -17.622 -2.044 1.00 4.13 C ATOM 1577 C VAL A 106 8.977 -17.709 -2.102 1.00 44.31 C ATOM 1578 O VAL A 106 9.564 -17.817 -3.179 1.00 54.14 O ATOM 1579 CB VAL A 106 7.049 -16.187 -1.659 1.00 45.15 C ATOM 1580 CG1 VAL A 106 7.949 -15.173 -2.351 1.00 75.40 C ATOM 1581 CG2 VAL A 106 5.589 -15.938 -2.003 1.00 14.11 C ATOM 0 H VAL A 106 6.261 -18.209 -0.424 1.00 52.44 H new ATOM 0 HA VAL A 106 7.043 -17.858 -3.025 1.00 4.13 H new ATOM 0 HB VAL A 106 7.170 -16.069 -0.582 1.00 45.15 H new ATOM 0 HG11 VAL A 106 7.647 -14.165 -2.067 1.00 75.40 H new ATOM 0 HG12 VAL A 106 8.983 -15.340 -2.050 1.00 75.40 H new ATOM 0 HG13 VAL A 106 7.862 -15.287 -3.432 1.00 75.40 H new ATOM 0 HG21 VAL A 106 5.318 -14.920 -1.724 1.00 14.11 H new ATOM 0 HG22 VAL A 106 5.439 -16.073 -3.074 1.00 14.11 H new ATOM 0 HG23 VAL A 106 4.961 -16.643 -1.457 1.00 14.11 H new ATOM 1591 N LYS A 107 9.612 -17.661 -0.936 1.00 23.11 N ATOM 1592 CA LYS A 107 11.066 -17.736 -0.852 1.00 60.20 C ATOM 1593 C LYS A 107 11.558 -19.144 -1.173 1.00 54.13 C ATOM 1594 O LYS A 107 12.758 -19.374 -1.318 1.00 73.34 O ATOM 1595 CB LYS A 107 11.539 -17.326 0.544 1.00 13.25 C ATOM 1596 CG LYS A 107 11.507 -18.459 1.555 1.00 60.51 C ATOM 1597 CD LYS A 107 11.600 -17.939 2.980 1.00 65.45 C ATOM 1598 CE LYS A 107 13.012 -17.481 3.314 1.00 33.22 C ATOM 1599 NZ LYS A 107 13.594 -18.258 4.444 1.00 53.42 N ATOM 0 H LYS A 107 9.142 -17.570 -0.035 1.00 23.11 H new ATOM 0 HA LYS A 107 11.483 -17.048 -1.587 1.00 60.20 H new ATOM 0 HB2 LYS A 107 12.556 -16.941 0.475 1.00 13.25 H new ATOM 0 HB3 LYS A 107 10.913 -16.510 0.905 1.00 13.25 H new ATOM 0 HG2 LYS A 107 10.586 -19.029 1.434 1.00 60.51 H new ATOM 0 HG3 LYS A 107 12.333 -19.143 1.362 1.00 60.51 H new ATOM 0 HD2 LYS A 107 10.906 -17.109 3.112 1.00 65.45 H new ATOM 0 HD3 LYS A 107 11.296 -18.722 3.675 1.00 65.45 H new ATOM 0 HE2 LYS A 107 13.646 -17.589 2.434 1.00 33.22 H new ATOM 0 HE3 LYS A 107 12.999 -16.422 3.570 1.00 33.22 H new ATOM 0 HZ1 LYS A 107 14.556 -17.916 4.641 1.00 53.42 H new ATOM 0 HZ2 LYS A 107 13.003 -18.135 5.291 1.00 53.42 H new ATOM 0 HZ3 LYS A 107 13.630 -19.266 4.190 1.00 53.42 H new ATOM 1613 N ALA A 108 10.622 -20.081 -1.285 1.00 22.55 N ATOM 1614 CA ALA A 108 10.961 -21.465 -1.592 1.00 74.43 C ATOM 1615 C ALA A 108 10.460 -21.858 -2.978 1.00 50.23 C ATOM 1616 O ALA A 108 10.517 -23.027 -3.361 1.00 72.02 O ATOM 1617 CB ALA A 108 10.383 -22.397 -0.537 1.00 61.22 C ATOM 0 H ALA A 108 9.624 -19.907 -1.168 1.00 22.55 H new ATOM 0 HA ALA A 108 12.047 -21.557 -1.586 1.00 74.43 H new ATOM 0 HB1 ALA A 108 10.644 -23.427 -0.779 1.00 61.22 H new ATOM 0 HB2 ALA A 108 10.792 -22.139 0.440 1.00 61.22 H new ATOM 0 HB3 ALA A 108 9.298 -22.293 -0.515 1.00 61.22 H new TER 1623 ALA A 108