USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 597 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLN : amide:sc= 0.242 X(o=0.24,f=0) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 TYR OH : rot -31:sc= 1.25 USER MOD Single : A 9 SER OG : rot -34:sc= -0.315 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.592 F(o=-1.2,f=-0.59) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -0.267 K(o=-0.27,f=-4!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.135 USER MOD Single : A 39 GLN : amide:sc= -1.73 K(o=-1.7,f=-3.8!) USER MOD Single : A 44 MET CE :methyl 143:sc= -5.27! (180deg=-8.11!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0431 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.28! C(o=-2.3!,f=-3.1!) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -2.79 (180deg=-4.49!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 2.089 -0.501 1.561 1.00 34.40 N ATOM 2 CA GLN A 1 2.268 -0.660 0.123 1.00 52.13 C ATOM 3 C GLN A 1 2.072 -2.114 -0.293 1.00 64.12 C ATOM 4 O GLN A 1 2.290 -3.031 0.499 1.00 75.31 O ATOM 5 CB GLN A 1 3.659 -0.180 -0.295 1.00 71.12 C ATOM 6 CG GLN A 1 3.638 0.829 -1.432 1.00 64.43 C ATOM 7 CD GLN A 1 5.028 1.274 -1.842 1.00 42.31 C ATOM 8 OE1 GLN A 1 5.429 2.410 -1.587 1.00 53.52 O ATOM 9 NE2 GLN A 1 5.773 0.380 -2.481 1.00 72.51 N ATOM 0 H1 GLN A 1 2.227 0.497 1.820 1.00 34.40 H new ATOM 0 H2 GLN A 1 1.128 -0.797 1.826 1.00 34.40 H new ATOM 0 H3 GLN A 1 2.784 -1.089 2.064 1.00 34.40 H new ATOM 0 HA GLN A 1 1.515 -0.053 -0.381 1.00 52.13 H new ATOM 0 HB2 GLN A 1 4.154 0.267 0.567 1.00 71.12 H new ATOM 0 HB3 GLN A 1 4.256 -1.041 -0.595 1.00 71.12 H new ATOM 0 HG2 GLN A 1 3.132 0.391 -2.292 1.00 64.43 H new ATOM 0 HG3 GLN A 1 3.056 1.700 -1.130 1.00 64.43 H new ATOM 0 HE21 GLN A 1 5.401 -0.550 -2.672 1.00 72.51 H new ATOM 0 HE22 GLN A 1 6.717 0.624 -2.781 1.00 72.51 H new ATOM 18 N TYR A 2 1.661 -2.317 -1.540 1.00 31.42 N ATOM 19 CA TYR A 2 1.433 -3.660 -2.060 1.00 63.31 C ATOM 20 C TYR A 2 0.416 -4.410 -1.206 1.00 74.21 C ATOM 21 O TYR A 2 -0.147 -3.858 -0.261 1.00 14.32 O ATOM 22 CB TYR A 2 2.748 -4.440 -2.109 1.00 61.43 C ATOM 23 CG TYR A 2 3.666 -4.009 -3.231 1.00 24.44 C ATOM 24 CD1 TYR A 2 3.552 -4.561 -4.500 1.00 73.53 C ATOM 25 CD2 TYR A 2 4.648 -3.049 -3.020 1.00 43.11 C ATOM 26 CE1 TYR A 2 4.389 -4.171 -5.527 1.00 61.12 C ATOM 27 CE2 TYR A 2 5.489 -2.651 -4.042 1.00 21.44 C ATOM 28 CZ TYR A 2 5.356 -3.216 -5.293 1.00 50.31 C ATOM 29 OH TYR A 2 6.191 -2.823 -6.314 1.00 22.12 O ATOM 0 H TYR A 2 1.479 -1.569 -2.209 1.00 31.42 H new ATOM 0 HA TYR A 2 1.034 -3.568 -3.070 1.00 63.31 H new ATOM 0 HB2 TYR A 2 3.268 -4.319 -1.159 1.00 61.43 H new ATOM 0 HB3 TYR A 2 2.527 -5.502 -2.219 1.00 61.43 H new ATOM 0 HD1 TYR A 2 2.795 -5.309 -4.687 1.00 73.53 H new ATOM 0 HD2 TYR A 2 4.756 -2.606 -2.041 1.00 43.11 H new ATOM 0 HE1 TYR A 2 4.287 -4.611 -6.508 1.00 61.12 H new ATOM 0 HE2 TYR A 2 6.246 -1.902 -3.862 1.00 21.44 H new ATOM 0 HH TYR A 2 6.814 -2.143 -5.983 1.00 22.12 H new ATOM 39 N LYS A 3 0.185 -5.674 -1.546 1.00 12.12 N ATOM 40 CA LYS A 3 -0.763 -6.503 -0.811 1.00 60.31 C ATOM 41 C LYS A 3 -0.034 -7.503 0.081 1.00 42.02 C ATOM 42 O LYS A 3 0.847 -8.231 -0.378 1.00 72.12 O ATOM 43 CB LYS A 3 -1.682 -7.247 -1.783 1.00 51.40 C ATOM 44 CG LYS A 3 -2.840 -7.956 -1.103 1.00 13.10 C ATOM 45 CD LYS A 3 -3.833 -8.501 -2.116 1.00 42.03 C ATOM 46 CE LYS A 3 -4.733 -7.403 -2.661 1.00 42.43 C ATOM 47 NZ LYS A 3 -5.896 -7.145 -1.768 1.00 52.33 N ATOM 0 H LYS A 3 0.642 -6.147 -2.326 1.00 12.12 H new ATOM 0 HA LYS A 3 -1.365 -5.850 -0.179 1.00 60.31 H new ATOM 0 HB2 LYS A 3 -2.078 -6.538 -2.510 1.00 51.40 H new ATOM 0 HB3 LYS A 3 -1.094 -7.978 -2.338 1.00 51.40 H new ATOM 0 HG2 LYS A 3 -2.458 -8.773 -0.491 1.00 13.10 H new ATOM 0 HG3 LYS A 3 -3.347 -7.264 -0.431 1.00 13.10 H new ATOM 0 HD2 LYS A 3 -3.294 -8.972 -2.938 1.00 42.03 H new ATOM 0 HD3 LYS A 3 -4.443 -9.275 -1.649 1.00 42.03 H new ATOM 0 HE2 LYS A 3 -4.156 -6.486 -2.780 1.00 42.43 H new ATOM 0 HE3 LYS A 3 -5.091 -7.685 -3.651 1.00 42.43 H new ATOM 0 HZ1 LYS A 3 -6.485 -6.390 -2.174 1.00 52.33 H new ATOM 0 HZ2 LYS A 3 -6.461 -8.013 -1.675 1.00 52.33 H new ATOM 0 HZ3 LYS A 3 -5.555 -6.851 -0.830 1.00 52.33 H new ATOM 61 N ILE A 4 -0.407 -7.533 1.356 1.00 62.43 N ATOM 62 CA ILE A 4 0.210 -8.446 2.310 1.00 5.12 C ATOM 63 C ILE A 4 -0.278 -9.875 2.099 1.00 23.01 C ATOM 64 O ILE A 4 -1.410 -10.213 2.444 1.00 55.51 O ATOM 65 CB ILE A 4 -0.082 -8.025 3.762 1.00 14.53 C ATOM 66 CG1 ILE A 4 0.368 -6.582 3.998 1.00 3.44 C ATOM 67 CG2 ILE A 4 0.608 -8.967 4.737 1.00 72.12 C ATOM 68 CD1 ILE A 4 1.861 -6.384 3.858 1.00 65.31 C ATOM 0 H ILE A 4 -1.133 -6.936 1.752 1.00 62.43 H new ATOM 0 HA ILE A 4 1.285 -8.403 2.137 1.00 5.12 H new ATOM 0 HB ILE A 4 -1.157 -8.083 3.932 1.00 14.53 H new ATOM 0 HG12 ILE A 4 -0.145 -5.930 3.291 1.00 3.44 H new ATOM 0 HG13 ILE A 4 0.061 -6.273 4.997 1.00 3.44 H new ATOM 0 HG21 ILE A 4 0.392 -8.655 5.759 1.00 72.12 H new ATOM 0 HG22 ILE A 4 0.243 -9.982 4.582 1.00 72.12 H new ATOM 0 HG23 ILE A 4 1.685 -8.939 4.570 1.00 72.12 H new ATOM 0 HD11 ILE A 4 2.108 -5.338 4.039 1.00 65.31 H new ATOM 0 HD12 ILE A 4 2.381 -7.010 4.583 1.00 65.31 H new ATOM 0 HD13 ILE A 4 2.172 -6.661 2.851 1.00 65.31 H new ATOM 80 N TYR A 5 0.585 -10.711 1.532 1.00 32.12 N ATOM 81 CA TYR A 5 0.242 -12.105 1.274 1.00 13.44 C ATOM 82 C TYR A 5 0.730 -13.004 2.406 1.00 64.24 C ATOM 83 O TYR A 5 1.609 -12.640 3.187 1.00 21.34 O ATOM 84 CB TYR A 5 0.846 -12.563 -0.054 1.00 34.10 C ATOM 85 CG TYR A 5 -0.046 -12.301 -1.247 1.00 4.21 C ATOM 86 CD1 TYR A 5 -1.368 -12.728 -1.259 1.00 4.32 C ATOM 87 CD2 TYR A 5 0.435 -11.625 -2.362 1.00 54.20 C ATOM 88 CE1 TYR A 5 -2.185 -12.491 -2.347 1.00 0.20 C ATOM 89 CE2 TYR A 5 -0.376 -11.382 -3.454 1.00 71.10 C ATOM 90 CZ TYR A 5 -1.685 -11.818 -3.442 1.00 2.51 C ATOM 91 OH TYR A 5 -2.496 -11.578 -4.527 1.00 73.33 O ATOM 0 H TYR A 5 1.527 -10.448 1.242 1.00 32.12 H new ATOM 0 HA TYR A 5 -0.844 -12.182 1.216 1.00 13.44 H new ATOM 0 HB2 TYR A 5 1.799 -12.055 -0.205 1.00 34.10 H new ATOM 0 HB3 TYR A 5 1.059 -13.630 0.002 1.00 34.10 H new ATOM 0 HD1 TYR A 5 -1.764 -13.254 -0.403 1.00 4.32 H new ATOM 0 HD2 TYR A 5 1.460 -11.284 -2.375 1.00 54.20 H new ATOM 0 HE1 TYR A 5 -3.210 -12.831 -2.340 1.00 0.20 H new ATOM 0 HE2 TYR A 5 0.013 -10.854 -4.312 1.00 71.10 H new ATOM 0 HH TYR A 5 -3.425 -11.491 -4.228 1.00 73.33 H new ATOM 101 N PRO A 6 0.148 -14.209 2.495 1.00 30.24 N ATOM 102 CA PRO A 6 0.508 -15.188 3.526 1.00 50.41 C ATOM 103 C PRO A 6 1.902 -15.768 3.312 1.00 34.42 C ATOM 104 O PRO A 6 2.261 -16.151 2.198 1.00 2.25 O ATOM 105 CB PRO A 6 -0.555 -16.277 3.368 1.00 75.14 C ATOM 106 CG PRO A 6 -1.001 -16.168 1.950 1.00 35.03 C ATOM 107 CD PRO A 6 -0.906 -14.709 1.597 1.00 34.44 C ATOM 0 HA PRO A 6 0.535 -14.742 4.520 1.00 50.41 H new ATOM 0 HB2 PRO A 6 -0.145 -17.264 3.579 1.00 75.14 H new ATOM 0 HB3 PRO A 6 -1.385 -16.123 4.057 1.00 75.14 H new ATOM 0 HG2 PRO A 6 -0.371 -16.770 1.295 1.00 35.03 H new ATOM 0 HG3 PRO A 6 -2.022 -16.532 1.833 1.00 35.03 H new ATOM 0 HD2 PRO A 6 -0.643 -14.565 0.549 1.00 34.44 H new ATOM 0 HD3 PRO A 6 -1.852 -14.193 1.761 1.00 34.44 H new ATOM 115 N TYR A 7 2.682 -15.832 4.385 1.00 33.14 N ATOM 116 CA TYR A 7 4.037 -16.365 4.315 1.00 41.15 C ATOM 117 C TYR A 7 4.019 -17.867 4.047 1.00 52.34 C ATOM 118 O TYR A 7 4.924 -18.406 3.410 1.00 21.21 O ATOM 119 CB TYR A 7 4.790 -16.077 5.615 1.00 55.43 C ATOM 120 CG TYR A 7 6.148 -16.737 5.687 1.00 12.24 C ATOM 121 CD1 TYR A 7 7.235 -16.212 4.999 1.00 12.32 C ATOM 122 CD2 TYR A 7 6.344 -17.886 6.443 1.00 2.01 C ATOM 123 CE1 TYR A 7 8.478 -16.812 5.062 1.00 54.20 C ATOM 124 CE2 TYR A 7 7.584 -18.492 6.513 1.00 53.11 C ATOM 125 CZ TYR A 7 8.647 -17.951 5.820 1.00 21.35 C ATOM 126 OH TYR A 7 9.883 -18.553 5.886 1.00 0.33 O ATOM 0 H TYR A 7 2.399 -15.521 5.314 1.00 33.14 H new ATOM 0 HA TYR A 7 4.551 -15.873 3.489 1.00 41.15 H new ATOM 0 HB2 TYR A 7 4.913 -14.999 5.723 1.00 55.43 H new ATOM 0 HB3 TYR A 7 4.186 -16.415 6.457 1.00 55.43 H new ATOM 0 HD1 TYR A 7 7.106 -15.319 4.405 1.00 12.32 H new ATOM 0 HD2 TYR A 7 5.513 -18.313 6.985 1.00 2.01 H new ATOM 0 HE1 TYR A 7 9.312 -16.391 4.521 1.00 54.20 H new ATOM 0 HE2 TYR A 7 7.720 -19.384 7.107 1.00 53.11 H new ATOM 0 HH TYR A 7 10.362 -18.409 5.044 1.00 0.33 H new ATOM 136 N ASP A 8 2.981 -18.536 4.537 1.00 40.43 N ATOM 137 CA ASP A 8 2.842 -19.975 4.350 1.00 71.22 C ATOM 138 C ASP A 8 2.622 -20.313 2.879 1.00 71.44 C ATOM 139 O ASP A 8 3.055 -21.362 2.401 1.00 43.21 O ATOM 140 CB ASP A 8 1.680 -20.510 5.188 1.00 11.02 C ATOM 141 CG ASP A 8 0.420 -19.682 5.027 1.00 43.14 C ATOM 142 OD1 ASP A 8 -0.352 -19.955 4.085 1.00 72.35 O ATOM 143 OD2 ASP A 8 0.207 -18.760 5.842 1.00 43.22 O ATOM 0 H ASP A 8 2.224 -18.104 5.067 1.00 40.43 H new ATOM 0 HA ASP A 8 3.766 -20.450 4.679 1.00 71.22 H new ATOM 0 HB2 ASP A 8 1.473 -21.541 4.900 1.00 11.02 H new ATOM 0 HB3 ASP A 8 1.970 -20.524 6.239 1.00 11.02 H new ATOM 148 N SER A 9 1.945 -19.419 2.166 1.00 53.11 N ATOM 149 CA SER A 9 1.663 -19.625 0.750 1.00 14.31 C ATOM 150 C SER A 9 2.708 -18.932 -0.118 1.00 64.15 C ATOM 151 O SER A 9 2.892 -19.280 -1.286 1.00 11.31 O ATOM 152 CB SER A 9 0.268 -19.100 0.405 1.00 53.33 C ATOM 153 OG SER A 9 -0.557 -19.048 1.556 1.00 72.01 O ATOM 0 H SER A 9 1.581 -18.545 2.545 1.00 53.11 H new ATOM 0 HA SER A 9 1.701 -20.696 0.549 1.00 14.31 H new ATOM 0 HB2 SER A 9 0.349 -18.105 -0.034 1.00 53.33 H new ATOM 0 HB3 SER A 9 -0.191 -19.743 -0.346 1.00 53.33 H new ATOM 0 HG SER A 9 -0.332 -19.791 2.154 1.00 72.01 H new ATOM 159 N LEU A 10 3.392 -17.950 0.459 1.00 34.33 N ATOM 160 CA LEU A 10 4.420 -17.207 -0.261 1.00 21.23 C ATOM 161 C LEU A 10 5.717 -18.007 -0.337 1.00 53.03 C ATOM 162 O LEU A 10 6.422 -17.970 -1.346 1.00 54.23 O ATOM 163 CB LEU A 10 4.677 -15.862 0.421 1.00 32.11 C ATOM 164 CG LEU A 10 3.888 -14.672 -0.125 1.00 15.43 C ATOM 165 CD1 LEU A 10 4.198 -13.415 0.673 1.00 14.42 C ATOM 166 CD2 LEU A 10 4.195 -14.459 -1.600 1.00 3.23 C ATOM 0 H LEU A 10 3.253 -17.650 1.424 1.00 34.33 H new ATOM 0 HA LEU A 10 4.063 -17.031 -1.276 1.00 21.23 H new ATOM 0 HB2 LEU A 10 4.451 -15.966 1.482 1.00 32.11 H new ATOM 0 HB3 LEU A 10 5.740 -15.635 0.342 1.00 32.11 H new ATOM 0 HG LEU A 10 2.825 -14.889 -0.024 1.00 15.43 H new ATOM 0 HD11 LEU A 10 3.627 -12.578 0.270 1.00 14.42 H new ATOM 0 HD12 LEU A 10 3.926 -13.570 1.717 1.00 14.42 H new ATOM 0 HD13 LEU A 10 5.263 -13.194 0.605 1.00 14.42 H new ATOM 0 HD21 LEU A 10 3.624 -13.608 -1.971 1.00 3.23 H new ATOM 0 HD22 LEU A 10 5.260 -14.264 -1.726 1.00 3.23 H new ATOM 0 HD23 LEU A 10 3.921 -15.352 -2.161 1.00 3.23 H new ATOM 178 N ILE A 11 6.024 -18.731 0.734 1.00 14.51 N ATOM 179 CA ILE A 11 7.233 -19.542 0.786 1.00 4.24 C ATOM 180 C ILE A 11 7.338 -20.452 -0.433 1.00 4.50 C ATOM 181 O ILE A 11 6.428 -21.228 -0.722 1.00 31.11 O ATOM 182 CB ILE A 11 7.278 -20.404 2.062 1.00 63.24 C ATOM 183 CG1 ILE A 11 5.953 -21.145 2.249 1.00 13.04 C ATOM 184 CG2 ILE A 11 7.585 -19.539 3.275 1.00 34.53 C ATOM 185 CD1 ILE A 11 5.923 -22.028 3.477 1.00 72.30 C ATOM 0 H ILE A 11 5.452 -18.772 1.577 1.00 14.51 H new ATOM 0 HA ILE A 11 8.076 -18.851 0.794 1.00 4.24 H new ATOM 0 HB ILE A 11 8.073 -21.142 1.957 1.00 63.24 H new ATOM 0 HG12 ILE A 11 5.145 -20.417 2.315 1.00 13.04 H new ATOM 0 HG13 ILE A 11 5.760 -21.756 1.367 1.00 13.04 H new ATOM 0 HG21 ILE A 11 7.613 -20.162 4.169 1.00 34.53 H new ATOM 0 HG22 ILE A 11 8.552 -19.053 3.140 1.00 34.53 H new ATOM 0 HG23 ILE A 11 6.810 -18.780 3.386 1.00 34.53 H new ATOM 0 HD11 ILE A 11 4.954 -22.522 3.546 1.00 72.30 H new ATOM 0 HD12 ILE A 11 6.709 -22.780 3.404 1.00 72.30 H new ATOM 0 HD13 ILE A 11 6.084 -21.419 4.367 1.00 72.30 H new ATOM 197 N VAL A 12 8.457 -20.351 -1.145 1.00 34.32 N ATOM 198 CA VAL A 12 8.683 -21.167 -2.332 1.00 32.01 C ATOM 199 C VAL A 12 8.671 -22.652 -1.988 1.00 64.33 C ATOM 200 O VAL A 12 8.419 -23.498 -2.847 1.00 71.30 O ATOM 201 CB VAL A 12 10.023 -20.818 -3.006 1.00 10.41 C ATOM 202 CG1 VAL A 12 10.133 -19.317 -3.230 1.00 21.14 C ATOM 203 CG2 VAL A 12 11.188 -21.327 -2.171 1.00 32.42 C ATOM 0 H VAL A 12 9.220 -19.713 -0.920 1.00 34.32 H new ATOM 0 HA VAL A 12 7.870 -20.951 -3.025 1.00 32.01 H new ATOM 0 HB VAL A 12 10.060 -21.310 -3.978 1.00 10.41 H new ATOM 0 HG11 VAL A 12 11.086 -19.089 -3.707 1.00 21.14 H new ATOM 0 HG12 VAL A 12 9.317 -18.984 -3.872 1.00 21.14 H new ATOM 0 HG13 VAL A 12 10.074 -18.801 -2.272 1.00 21.14 H new ATOM 0 HG21 VAL A 12 12.127 -21.072 -2.662 1.00 32.42 H new ATOM 0 HG22 VAL A 12 11.158 -20.865 -1.184 1.00 32.42 H new ATOM 0 HG23 VAL A 12 11.116 -22.410 -2.067 1.00 32.42 H new ATOM 213 N THR A 13 8.946 -22.964 -0.725 1.00 62.35 N ATOM 214 CA THR A 13 8.968 -24.348 -0.267 1.00 43.44 C ATOM 215 C THR A 13 7.616 -25.018 -0.478 1.00 73.43 C ATOM 216 O THR A 13 7.517 -26.244 -0.500 1.00 21.42 O ATOM 217 CB THR A 13 9.348 -24.440 1.223 1.00 74.03 C ATOM 218 OG1 THR A 13 9.408 -25.812 1.629 1.00 42.14 O ATOM 219 CG2 THR A 13 8.340 -23.695 2.085 1.00 52.22 C ATOM 0 H THR A 13 9.157 -22.277 -0.001 1.00 62.35 H new ATOM 0 HA THR A 13 9.723 -24.866 -0.859 1.00 43.44 H new ATOM 0 HB THR A 13 10.327 -23.979 1.355 1.00 74.03 H new ATOM 0 HG1 THR A 13 9.652 -25.862 2.577 1.00 42.14 H new ATOM 0 HG21 THR A 13 8.629 -23.774 3.133 1.00 52.22 H new ATOM 0 HG22 THR A 13 8.317 -22.645 1.793 1.00 52.22 H new ATOM 0 HG23 THR A 13 7.351 -24.132 1.948 1.00 52.22 H new ATOM 227 N ASN A 14 6.575 -24.206 -0.634 1.00 44.13 N ATOM 228 CA ASN A 14 5.228 -24.722 -0.844 1.00 15.21 C ATOM 229 C ASN A 14 4.859 -24.696 -2.324 1.00 42.42 C ATOM 230 O ASN A 14 3.703 -24.906 -2.690 1.00 72.24 O ATOM 231 CB ASN A 14 4.215 -23.903 -0.040 1.00 60.24 C ATOM 232 CG ASN A 14 3.750 -24.625 1.210 1.00 42.31 C ATOM 233 OD1 ASN A 14 2.503 -25.081 1.201 1.00 31.33 O flip ATOM 234 ND2 ASN A 14 4.504 -24.770 2.172 1.00 41.35 N flip ATOM 0 H ASN A 14 6.639 -23.188 -0.619 1.00 44.13 H new ATOM 0 HA ASN A 14 5.205 -25.756 -0.501 1.00 15.21 H new ATOM 0 HB2 ASN A 14 4.663 -22.950 0.240 1.00 60.24 H new ATOM 0 HB3 ASN A 14 3.353 -23.678 -0.668 1.00 60.24 H new ATOM 0 HD21 ASN A 14 5.455 -24.403 2.135 1.00 41.35 H new ATOM 0 HD22 ASN A 14 4.178 -25.257 3.007 1.00 41.35 H new ATOM 241 N ARG A 15 5.851 -24.436 -3.171 1.00 35.44 N ATOM 242 CA ARG A 15 5.631 -24.382 -4.611 1.00 30.22 C ATOM 243 C ARG A 15 4.916 -25.639 -5.100 1.00 4.34 C ATOM 244 O ARG A 15 4.174 -25.600 -6.081 1.00 60.12 O ATOM 245 CB ARG A 15 6.963 -24.222 -5.346 1.00 2.24 C ATOM 246 CG ARG A 15 7.424 -22.778 -5.462 1.00 64.22 C ATOM 247 CD ARG A 15 8.887 -22.692 -5.871 1.00 13.14 C ATOM 248 NE ARG A 15 9.233 -21.371 -6.388 1.00 5.23 N ATOM 249 CZ ARG A 15 8.822 -20.911 -7.564 1.00 44.02 C ATOM 250 NH1 ARG A 15 8.054 -21.661 -8.341 1.00 74.51 N ATOM 251 NH2 ARG A 15 9.180 -19.698 -7.965 1.00 41.25 N ATOM 0 H ARG A 15 6.814 -24.260 -2.884 1.00 35.44 H new ATOM 0 HA ARG A 15 5.000 -23.519 -4.824 1.00 30.22 H new ATOM 0 HB2 ARG A 15 7.728 -24.798 -4.825 1.00 2.24 H new ATOM 0 HB3 ARG A 15 6.870 -24.647 -6.346 1.00 2.24 H new ATOM 0 HG2 ARG A 15 6.809 -22.256 -6.195 1.00 64.22 H new ATOM 0 HG3 ARG A 15 7.281 -22.271 -4.507 1.00 64.22 H new ATOM 0 HD2 ARG A 15 9.518 -22.922 -5.012 1.00 13.14 H new ATOM 0 HD3 ARG A 15 9.096 -23.445 -6.631 1.00 13.14 H new ATOM 0 HE ARG A 15 9.823 -20.768 -5.814 1.00 5.23 H new ATOM 0 HH11 ARG A 15 7.777 -22.594 -8.036 1.00 74.51 H new ATOM 0 HH12 ARG A 15 7.740 -21.305 -9.244 1.00 74.51 H new ATOM 0 HH21 ARG A 15 9.771 -19.118 -7.370 1.00 41.25 H new ATOM 0 HH22 ARG A 15 8.864 -19.346 -8.868 1.00 41.25 H new ATOM 265 N ILE A 16 5.146 -26.750 -4.409 1.00 22.21 N ATOM 266 CA ILE A 16 4.524 -28.017 -4.772 1.00 62.34 C ATOM 267 C ILE A 16 3.047 -28.033 -4.395 1.00 12.32 C ATOM 268 O ILE A 16 2.221 -28.608 -5.103 1.00 55.14 O ATOM 269 CB ILE A 16 5.229 -29.206 -4.092 1.00 53.02 C ATOM 270 CG1 ILE A 16 4.582 -30.524 -4.522 1.00 60.33 C ATOM 271 CG2 ILE A 16 5.181 -29.055 -2.579 1.00 54.11 C ATOM 272 CD1 ILE A 16 4.612 -30.753 -6.017 1.00 41.43 C ATOM 0 H ILE A 16 5.758 -26.798 -3.595 1.00 22.21 H new ATOM 0 HA ILE A 16 4.621 -28.117 -5.853 1.00 62.34 H new ATOM 0 HB ILE A 16 6.273 -29.217 -4.404 1.00 53.02 H new ATOM 0 HG12 ILE A 16 5.093 -31.349 -4.026 1.00 60.33 H new ATOM 0 HG13 ILE A 16 3.547 -30.539 -4.181 1.00 60.33 H new ATOM 0 HG21 ILE A 16 5.683 -29.903 -2.113 1.00 54.11 H new ATOM 0 HG22 ILE A 16 5.683 -28.132 -2.289 1.00 54.11 H new ATOM 0 HG23 ILE A 16 4.143 -29.022 -2.249 1.00 54.11 H new ATOM 0 HD11 ILE A 16 4.136 -31.706 -6.249 1.00 41.43 H new ATOM 0 HD12 ILE A 16 4.076 -29.948 -6.519 1.00 41.43 H new ATOM 0 HD13 ILE A 16 5.646 -30.770 -6.362 1.00 41.43 H new ATOM 284 N ARG A 17 2.721 -27.395 -3.275 1.00 23.51 N ATOM 285 CA ARG A 17 1.343 -27.335 -2.803 1.00 61.21 C ATOM 286 C ARG A 17 0.537 -26.320 -3.608 1.00 10.12 C ATOM 287 O ARG A 17 -0.533 -26.634 -4.130 1.00 64.22 O ATOM 288 CB ARG A 17 1.306 -26.971 -1.318 1.00 15.51 C ATOM 289 CG ARG A 17 2.347 -27.700 -0.485 1.00 72.10 C ATOM 290 CD ARG A 17 2.254 -29.206 -0.672 1.00 63.43 C ATOM 291 NE ARG A 17 3.229 -29.921 0.148 1.00 52.21 N ATOM 292 CZ ARG A 17 3.390 -31.239 0.117 1.00 70.03 C ATOM 293 NH1 ARG A 17 2.645 -31.982 -0.690 1.00 22.41 N ATOM 294 NH2 ARG A 17 4.298 -31.816 0.893 1.00 21.12 N ATOM 0 H ARG A 17 3.393 -26.913 -2.678 1.00 23.51 H new ATOM 0 HA ARG A 17 0.895 -28.319 -2.940 1.00 61.21 H new ATOM 0 HB2 ARG A 17 1.456 -25.897 -1.212 1.00 15.51 H new ATOM 0 HB3 ARG A 17 0.315 -27.195 -0.923 1.00 15.51 H new ATOM 0 HG2 ARG A 17 3.343 -27.358 -0.765 1.00 72.10 H new ATOM 0 HG3 ARG A 17 2.210 -27.454 0.568 1.00 72.10 H new ATOM 0 HD2 ARG A 17 1.249 -29.542 -0.416 1.00 63.43 H new ATOM 0 HD3 ARG A 17 2.414 -29.451 -1.722 1.00 63.43 H new ATOM 0 HE ARG A 17 3.819 -29.378 0.779 1.00 52.21 H new ATOM 0 HH11 ARG A 17 1.946 -31.542 -1.289 1.00 22.41 H new ATOM 0 HH12 ARG A 17 2.770 -32.994 -0.712 1.00 22.41 H new ATOM 0 HH21 ARG A 17 4.873 -31.247 1.514 1.00 21.12 H new ATOM 0 HH22 ARG A 17 4.421 -32.828 0.868 1.00 21.12 H new ATOM 308 N VAL A 18 1.057 -25.100 -3.703 1.00 23.31 N ATOM 309 CA VAL A 18 0.387 -24.039 -4.444 1.00 11.31 C ATOM 310 C VAL A 18 1.394 -23.046 -5.013 1.00 53.52 C ATOM 311 O VAL A 18 2.479 -22.860 -4.463 1.00 1.24 O ATOM 312 CB VAL A 18 -0.618 -23.282 -3.555 1.00 42.10 C ATOM 313 CG1 VAL A 18 0.109 -22.510 -2.465 1.00 4.03 C ATOM 314 CG2 VAL A 18 -1.477 -22.350 -4.397 1.00 21.43 C ATOM 0 H VAL A 18 1.941 -24.823 -3.276 1.00 23.31 H new ATOM 0 HA VAL A 18 -0.151 -24.516 -5.263 1.00 11.31 H new ATOM 0 HB VAL A 18 -1.273 -24.010 -3.076 1.00 42.10 H new ATOM 0 HG11 VAL A 18 -0.617 -21.982 -1.847 1.00 4.03 H new ATOM 0 HG12 VAL A 18 0.677 -23.204 -1.845 1.00 4.03 H new ATOM 0 HG13 VAL A 18 0.789 -21.791 -2.921 1.00 4.03 H new ATOM 0 HG21 VAL A 18 -2.181 -21.823 -3.753 1.00 21.43 H new ATOM 0 HG22 VAL A 18 -0.839 -21.627 -4.905 1.00 21.43 H new ATOM 0 HG23 VAL A 18 -2.027 -22.931 -5.137 1.00 21.43 H new ATOM 324 N LYS A 19 1.027 -22.408 -6.120 1.00 33.13 N ATOM 325 CA LYS A 19 1.896 -21.431 -6.765 1.00 21.33 C ATOM 326 C LYS A 19 1.461 -20.009 -6.426 1.00 44.23 C ATOM 327 O LYS A 19 0.277 -19.745 -6.213 1.00 4.23 O ATOM 328 CB LYS A 19 1.886 -21.632 -8.282 1.00 14.32 C ATOM 329 CG LYS A 19 2.327 -23.019 -8.715 1.00 40.01 C ATOM 330 CD LYS A 19 1.145 -23.964 -8.848 1.00 72.22 C ATOM 331 CE LYS A 19 0.231 -23.556 -9.994 1.00 22.12 C ATOM 332 NZ LYS A 19 -1.181 -23.398 -9.548 1.00 2.12 N ATOM 0 H LYS A 19 0.133 -22.551 -6.589 1.00 33.13 H new ATOM 0 HA LYS A 19 2.909 -21.580 -6.392 1.00 21.33 H new ATOM 0 HB2 LYS A 19 0.880 -21.446 -8.658 1.00 14.32 H new ATOM 0 HB3 LYS A 19 2.540 -20.892 -8.742 1.00 14.32 H new ATOM 0 HG2 LYS A 19 2.851 -22.954 -9.669 1.00 40.01 H new ATOM 0 HG3 LYS A 19 3.035 -23.420 -7.989 1.00 40.01 H new ATOM 0 HD2 LYS A 19 1.506 -24.979 -9.013 1.00 72.22 H new ATOM 0 HD3 LYS A 19 0.580 -23.974 -7.916 1.00 72.22 H new ATOM 0 HE2 LYS A 19 0.583 -22.618 -10.423 1.00 22.12 H new ATOM 0 HE3 LYS A 19 0.281 -24.306 -10.783 1.00 22.12 H new ATOM 0 HZ1 LYS A 19 -1.772 -23.120 -10.357 1.00 2.12 H new ATOM 0 HZ2 LYS A 19 -1.526 -24.300 -9.162 1.00 2.12 H new ATOM 0 HZ3 LYS A 19 -1.233 -22.664 -8.813 1.00 2.12 H new ATOM 346 N LEU A 20 2.425 -19.096 -6.380 1.00 42.23 N ATOM 347 CA LEU A 20 2.142 -17.699 -6.069 1.00 73.04 C ATOM 348 C LEU A 20 1.096 -17.130 -7.023 1.00 62.23 C ATOM 349 O LEU A 20 0.951 -17.576 -8.162 1.00 2.32 O ATOM 350 CB LEU A 20 3.424 -16.869 -6.146 1.00 41.51 C ATOM 351 CG LEU A 20 4.607 -17.383 -5.325 1.00 60.01 C ATOM 352 CD1 LEU A 20 5.889 -16.675 -5.734 1.00 40.43 C ATOM 353 CD2 LEU A 20 4.345 -17.198 -3.838 1.00 14.24 C ATOM 0 H LEU A 20 3.410 -19.298 -6.554 1.00 42.23 H new ATOM 0 HA LEU A 20 1.746 -17.651 -5.055 1.00 73.04 H new ATOM 0 HB2 LEU A 20 3.731 -16.808 -7.190 1.00 41.51 H new ATOM 0 HB3 LEU A 20 3.196 -15.854 -5.821 1.00 41.51 H new ATOM 0 HG LEU A 20 4.726 -18.448 -5.523 1.00 60.01 H new ATOM 0 HD11 LEU A 20 6.720 -17.054 -5.139 1.00 40.43 H new ATOM 0 HD12 LEU A 20 6.085 -16.859 -6.790 1.00 40.43 H new ATOM 0 HD13 LEU A 20 5.782 -15.603 -5.567 1.00 40.43 H new ATOM 0 HD21 LEU A 20 5.198 -17.569 -3.269 1.00 14.24 H new ATOM 0 HD22 LEU A 20 4.199 -16.139 -3.623 1.00 14.24 H new ATOM 0 HD23 LEU A 20 3.450 -17.752 -3.554 1.00 14.24 H new ATOM 365 N PRO A 21 0.351 -16.120 -6.551 1.00 35.55 N ATOM 366 CA PRO A 21 -0.693 -15.467 -7.346 1.00 42.12 C ATOM 367 C PRO A 21 -0.116 -14.636 -8.488 1.00 34.32 C ATOM 368 O PRO A 21 1.078 -14.704 -8.777 1.00 5.11 O ATOM 369 CB PRO A 21 -1.399 -14.564 -6.332 1.00 32.02 C ATOM 370 CG PRO A 21 -0.374 -14.296 -5.285 1.00 30.24 C ATOM 371 CD PRO A 21 0.469 -15.539 -5.203 1.00 11.31 C ATOM 0 HA PRO A 21 -1.353 -16.190 -7.825 1.00 42.12 H new ATOM 0 HB2 PRO A 21 -1.741 -13.639 -6.797 1.00 32.02 H new ATOM 0 HB3 PRO A 21 -2.277 -15.053 -5.910 1.00 32.02 H new ATOM 0 HG2 PRO A 21 0.233 -13.429 -5.546 1.00 30.24 H new ATOM 0 HG3 PRO A 21 -0.844 -14.079 -4.326 1.00 30.24 H new ATOM 0 HD2 PRO A 21 1.505 -15.307 -4.955 1.00 11.31 H new ATOM 0 HD3 PRO A 21 0.103 -16.223 -4.437 1.00 11.31 H new ATOM 379 N LYS A 22 -0.973 -13.852 -9.134 1.00 23.31 N ATOM 380 CA LYS A 22 -0.549 -13.006 -10.243 1.00 70.44 C ATOM 381 C LYS A 22 -0.214 -11.600 -9.758 1.00 3.21 C ATOM 382 O LYS A 22 0.699 -10.955 -10.275 1.00 72.45 O ATOM 383 CB LYS A 22 -1.645 -12.942 -11.310 1.00 1.33 C ATOM 384 CG LYS A 22 -2.879 -12.174 -10.868 1.00 43.20 C ATOM 385 CD LYS A 22 -4.152 -12.809 -11.402 1.00 44.12 C ATOM 386 CE LYS A 22 -4.404 -14.168 -10.769 1.00 34.50 C ATOM 387 NZ LYS A 22 -5.029 -15.120 -11.729 1.00 62.12 N ATOM 0 H LYS A 22 -1.965 -13.785 -8.908 1.00 23.31 H new ATOM 0 HA LYS A 22 0.349 -13.444 -10.679 1.00 70.44 H new ATOM 0 HB2 LYS A 22 -1.240 -12.476 -12.208 1.00 1.33 H new ATOM 0 HB3 LYS A 22 -1.936 -13.957 -11.581 1.00 1.33 H new ATOM 0 HG2 LYS A 22 -2.917 -12.140 -9.779 1.00 43.20 H new ATOM 0 HG3 LYS A 22 -2.811 -11.143 -11.217 1.00 43.20 H new ATOM 0 HD2 LYS A 22 -4.999 -12.152 -11.204 1.00 44.12 H new ATOM 0 HD3 LYS A 22 -4.079 -12.918 -12.484 1.00 44.12 H new ATOM 0 HE2 LYS A 22 -3.462 -14.581 -10.409 1.00 34.50 H new ATOM 0 HE3 LYS A 22 -5.052 -14.050 -9.901 1.00 34.50 H new ATOM 0 HZ1 LYS A 22 -5.185 -16.035 -11.259 1.00 62.12 H new ATOM 0 HZ2 LYS A 22 -5.940 -14.738 -12.053 1.00 62.12 H new ATOM 0 HZ3 LYS A 22 -4.399 -15.253 -12.546 1.00 62.12 H new ATOM 401 N ASP A 23 -0.956 -11.130 -8.761 1.00 63.51 N ATOM 402 CA ASP A 23 -0.735 -9.801 -8.204 1.00 12.10 C ATOM 403 C ASP A 23 0.362 -9.831 -7.144 1.00 51.14 C ATOM 404 O ASP A 23 0.176 -9.345 -6.029 1.00 15.22 O ATOM 405 CB ASP A 23 -2.030 -9.257 -7.600 1.00 14.44 C ATOM 406 CG ASP A 23 -3.255 -9.656 -8.399 1.00 70.10 C ATOM 407 OD1 ASP A 23 -3.276 -9.399 -9.621 1.00 61.22 O ATOM 408 OD2 ASP A 23 -4.192 -10.226 -7.803 1.00 31.42 O ATOM 0 H ASP A 23 -1.716 -11.650 -8.322 1.00 63.51 H new ATOM 0 HA ASP A 23 -0.416 -9.144 -9.013 1.00 12.10 H new ATOM 0 HB2 ASP A 23 -2.132 -9.622 -6.578 1.00 14.44 H new ATOM 0 HB3 ASP A 23 -1.973 -8.170 -7.546 1.00 14.44 H new ATOM 413 N VAL A 24 1.506 -10.406 -7.501 1.00 2.13 N ATOM 414 CA VAL A 24 2.634 -10.500 -6.581 1.00 14.51 C ATOM 415 C VAL A 24 3.960 -10.442 -7.330 1.00 2.31 C ATOM 416 O VAL A 24 4.118 -11.061 -8.382 1.00 24.20 O ATOM 417 CB VAL A 24 2.579 -11.799 -5.756 1.00 74.21 C ATOM 418 CG1 VAL A 24 2.867 -13.004 -6.638 1.00 61.32 C ATOM 419 CG2 VAL A 24 3.557 -11.733 -4.593 1.00 34.22 C ATOM 0 H VAL A 24 1.676 -10.814 -8.420 1.00 2.13 H new ATOM 0 HA VAL A 24 2.564 -9.647 -5.906 1.00 14.51 H new ATOM 0 HB VAL A 24 1.574 -11.909 -5.349 1.00 74.21 H new ATOM 0 HG11 VAL A 24 2.824 -13.913 -6.038 1.00 61.32 H new ATOM 0 HG12 VAL A 24 2.124 -13.059 -7.433 1.00 61.32 H new ATOM 0 HG13 VAL A 24 3.860 -12.905 -7.076 1.00 61.32 H new ATOM 0 HG21 VAL A 24 3.505 -12.659 -4.021 1.00 34.22 H new ATOM 0 HG22 VAL A 24 4.569 -11.599 -4.976 1.00 34.22 H new ATOM 0 HG23 VAL A 24 3.299 -10.893 -3.948 1.00 34.22 H new ATOM 429 N ASP A 25 4.911 -9.694 -6.781 1.00 21.24 N ATOM 430 CA ASP A 25 6.226 -9.556 -7.396 1.00 21.22 C ATOM 431 C ASP A 25 7.192 -10.605 -6.854 1.00 4.13 C ATOM 432 O ASP A 25 6.954 -11.197 -5.801 1.00 64.10 O ATOM 433 CB ASP A 25 6.784 -8.154 -7.148 1.00 2.12 C ATOM 434 CG ASP A 25 6.849 -7.809 -5.673 1.00 32.01 C ATOM 435 OD1 ASP A 25 7.419 -8.609 -4.902 1.00 13.55 O ATOM 436 OD2 ASP A 25 6.329 -6.740 -5.290 1.00 13.02 O ATOM 0 H ASP A 25 4.796 -9.174 -5.911 1.00 21.24 H new ATOM 0 HA ASP A 25 6.116 -9.710 -8.469 1.00 21.22 H new ATOM 0 HB2 ASP A 25 7.782 -8.082 -7.579 1.00 2.12 H new ATOM 0 HB3 ASP A 25 6.161 -7.422 -7.662 1.00 2.12 H new ATOM 441 N ARG A 26 8.282 -10.830 -7.580 1.00 41.24 N ATOM 442 CA ARG A 26 9.283 -11.809 -7.174 1.00 0.33 C ATOM 443 C ARG A 26 10.602 -11.125 -6.824 1.00 54.12 C ATOM 444 O ARG A 26 11.421 -11.672 -6.086 1.00 23.22 O ATOM 445 CB ARG A 26 9.507 -12.833 -8.287 1.00 61.42 C ATOM 446 CG ARG A 26 8.220 -13.343 -8.914 1.00 74.00 C ATOM 447 CD ARG A 26 7.378 -14.113 -7.909 1.00 74.40 C ATOM 448 NE ARG A 26 6.155 -14.641 -8.509 1.00 65.34 N ATOM 449 CZ ARG A 26 6.124 -15.718 -9.288 1.00 4.55 C ATOM 450 NH1 ARG A 26 7.243 -16.377 -9.558 1.00 14.24 N ATOM 451 NH2 ARG A 26 4.973 -16.136 -9.797 1.00 20.52 N ATOM 0 H ARG A 26 8.495 -10.347 -8.453 1.00 41.24 H new ATOM 0 HA ARG A 26 8.913 -12.323 -6.287 1.00 0.33 H new ATOM 0 HB2 ARG A 26 10.126 -12.383 -9.063 1.00 61.42 H new ATOM 0 HB3 ARG A 26 10.065 -13.678 -7.884 1.00 61.42 H new ATOM 0 HG2 ARG A 26 7.646 -12.502 -9.303 1.00 74.00 H new ATOM 0 HG3 ARG A 26 8.457 -13.987 -9.761 1.00 74.00 H new ATOM 0 HD2 ARG A 26 7.965 -14.935 -7.499 1.00 74.40 H new ATOM 0 HD3 ARG A 26 7.120 -13.459 -7.076 1.00 74.40 H new ATOM 0 HE ARG A 26 5.277 -14.157 -8.320 1.00 65.34 H new ATOM 0 HH11 ARG A 26 8.130 -16.058 -9.168 1.00 14.24 H new ATOM 0 HH12 ARG A 26 7.217 -17.203 -10.156 1.00 14.24 H new ATOM 0 HH21 ARG A 26 4.111 -15.631 -9.591 1.00 20.52 H new ATOM 0 HH22 ARG A 26 4.950 -16.962 -10.395 1.00 20.52 H new ATOM 465 N THR A 27 10.800 -9.925 -7.360 1.00 43.42 N ATOM 466 CA THR A 27 12.019 -9.167 -7.107 1.00 1.31 C ATOM 467 C THR A 27 12.034 -8.607 -5.689 1.00 52.11 C ATOM 468 O THR A 27 13.048 -8.678 -4.994 1.00 55.32 O ATOM 469 CB THR A 27 12.177 -8.006 -8.107 1.00 14.42 C ATOM 470 OG1 THR A 27 11.866 -8.454 -9.431 1.00 0.31 O ATOM 471 CG2 THR A 27 13.593 -7.451 -8.073 1.00 14.41 C ATOM 0 H THR A 27 10.132 -9.457 -7.972 1.00 43.42 H new ATOM 0 HA THR A 27 12.852 -9.859 -7.231 1.00 1.31 H new ATOM 0 HB THR A 27 11.486 -7.213 -7.821 1.00 14.42 H new ATOM 0 HG1 THR A 27 11.967 -7.710 -10.060 1.00 0.31 H new ATOM 0 HG21 THR A 27 13.680 -6.632 -8.787 1.00 14.41 H new ATOM 0 HG22 THR A 27 13.816 -7.084 -7.071 1.00 14.41 H new ATOM 0 HG23 THR A 27 14.299 -8.239 -8.336 1.00 14.41 H new ATOM 479 N ARG A 28 10.903 -8.051 -5.266 1.00 22.24 N ATOM 480 CA ARG A 28 10.787 -7.479 -3.930 1.00 11.32 C ATOM 481 C ARG A 28 9.568 -8.039 -3.202 1.00 42.14 C ATOM 482 O ARG A 28 8.609 -7.317 -2.929 1.00 55.31 O ATOM 483 CB ARG A 28 10.689 -5.954 -4.012 1.00 30.21 C ATOM 484 CG ARG A 28 11.914 -5.298 -4.628 1.00 14.40 C ATOM 485 CD ARG A 28 12.795 -4.656 -3.567 1.00 73.43 C ATOM 486 NE ARG A 28 12.162 -3.487 -2.963 1.00 75.23 N ATOM 487 CZ ARG A 28 12.815 -2.595 -2.228 1.00 25.23 C ATOM 488 NH1 ARG A 28 14.115 -2.738 -2.007 1.00 10.13 N ATOM 489 NH2 ARG A 28 12.169 -1.557 -1.712 1.00 25.22 N ATOM 0 H ARG A 28 10.055 -7.985 -5.829 1.00 22.24 H new ATOM 0 HA ARG A 28 11.681 -7.750 -3.368 1.00 11.32 H new ATOM 0 HB2 ARG A 28 9.810 -5.686 -4.598 1.00 30.21 H new ATOM 0 HB3 ARG A 28 10.538 -5.553 -3.010 1.00 30.21 H new ATOM 0 HG2 ARG A 28 12.489 -6.043 -5.178 1.00 14.40 H new ATOM 0 HG3 ARG A 28 11.600 -4.542 -5.348 1.00 14.40 H new ATOM 0 HD2 ARG A 28 13.020 -5.388 -2.791 1.00 73.43 H new ATOM 0 HD3 ARG A 28 13.745 -4.363 -4.014 1.00 73.43 H new ATOM 0 HE ARG A 28 11.163 -3.348 -3.114 1.00 75.23 H new ATOM 0 HH11 ARG A 28 14.615 -3.534 -2.402 1.00 10.13 H new ATOM 0 HH12 ARG A 28 14.615 -2.051 -1.442 1.00 10.13 H new ATOM 0 HH21 ARG A 28 11.169 -1.444 -1.880 1.00 25.22 H new ATOM 0 HH22 ARG A 28 12.672 -0.873 -1.147 1.00 25.22 H new ATOM 503 N LEU A 29 9.613 -9.330 -2.892 1.00 53.22 N ATOM 504 CA LEU A 29 8.512 -9.988 -2.197 1.00 1.03 C ATOM 505 C LEU A 29 8.468 -9.571 -0.730 1.00 71.31 C ATOM 506 O LEU A 29 7.480 -9.812 -0.037 1.00 24.14 O ATOM 507 CB LEU A 29 8.652 -11.508 -2.303 1.00 54.40 C ATOM 508 CG LEU A 29 7.418 -12.324 -1.916 1.00 53.42 C ATOM 509 CD1 LEU A 29 6.237 -11.960 -2.804 1.00 5.03 C ATOM 510 CD2 LEU A 29 7.714 -13.813 -2.004 1.00 64.52 C ATOM 0 H LEU A 29 10.399 -9.942 -3.111 1.00 53.22 H new ATOM 0 HA LEU A 29 7.580 -9.681 -2.671 1.00 1.03 H new ATOM 0 HB2 LEU A 29 8.921 -11.757 -3.330 1.00 54.40 H new ATOM 0 HB3 LEU A 29 9.483 -11.821 -1.671 1.00 54.40 H new ATOM 0 HG LEU A 29 7.158 -12.086 -0.885 1.00 53.42 H new ATOM 0 HD11 LEU A 29 5.368 -12.551 -2.514 1.00 5.03 H new ATOM 0 HD12 LEU A 29 6.010 -10.900 -2.691 1.00 5.03 H new ATOM 0 HD13 LEU A 29 6.486 -12.168 -3.844 1.00 5.03 H new ATOM 0 HD21 LEU A 29 6.825 -14.378 -1.725 1.00 64.52 H new ATOM 0 HD22 LEU A 29 8.000 -14.067 -3.025 1.00 64.52 H new ATOM 0 HD23 LEU A 29 8.530 -14.063 -1.326 1.00 64.52 H new ATOM 522 N GLU A 30 9.544 -8.943 -0.266 1.00 33.31 N ATOM 523 CA GLU A 30 9.626 -8.492 1.118 1.00 21.03 C ATOM 524 C GLU A 30 8.497 -7.517 1.441 1.00 60.51 C ATOM 525 O GLU A 30 7.913 -7.564 2.524 1.00 60.14 O ATOM 526 CB GLU A 30 10.979 -7.827 1.382 1.00 70.54 C ATOM 527 CG GLU A 30 11.120 -6.458 0.738 1.00 30.15 C ATOM 528 CD GLU A 30 12.567 -6.037 0.574 1.00 64.24 C ATOM 529 OE1 GLU A 30 13.416 -6.516 1.355 1.00 43.23 O ATOM 530 OE2 GLU A 30 12.851 -5.230 -0.336 1.00 2.14 O ATOM 0 H GLU A 30 10.370 -8.735 -0.828 1.00 33.31 H new ATOM 0 HA GLU A 30 9.525 -9.365 1.764 1.00 21.03 H new ATOM 0 HB2 GLU A 30 11.123 -7.730 2.458 1.00 70.54 H new ATOM 0 HB3 GLU A 30 11.772 -8.477 1.012 1.00 70.54 H new ATOM 0 HG2 GLU A 30 10.636 -6.468 -0.238 1.00 30.15 H new ATOM 0 HG3 GLU A 30 10.597 -5.719 1.345 1.00 30.15 H new ATOM 537 N ARG A 31 8.196 -6.635 0.494 1.00 60.35 N ATOM 538 CA ARG A 31 7.139 -5.648 0.677 1.00 72.32 C ATOM 539 C ARG A 31 5.768 -6.319 0.706 1.00 3.34 C ATOM 540 O ARG A 31 4.775 -5.708 1.104 1.00 64.31 O ATOM 541 CB ARG A 31 7.185 -4.607 -0.443 1.00 13.34 C ATOM 542 CG ARG A 31 8.400 -3.697 -0.378 1.00 44.33 C ATOM 543 CD ARG A 31 7.998 -2.230 -0.351 1.00 60.55 C ATOM 544 NE ARG A 31 8.082 -1.664 0.992 1.00 23.31 N ATOM 545 CZ ARG A 31 9.229 -1.430 1.621 1.00 70.55 C ATOM 546 NH1 ARG A 31 10.382 -1.712 1.030 1.00 70.33 N ATOM 547 NH2 ARG A 31 9.224 -0.913 2.842 1.00 31.24 N ATOM 0 H ARG A 31 8.669 -6.584 -0.408 1.00 60.35 H new ATOM 0 HA ARG A 31 7.302 -5.151 1.633 1.00 72.32 H new ATOM 0 HB2 ARG A 31 7.177 -5.120 -1.405 1.00 13.34 H new ATOM 0 HB3 ARG A 31 6.282 -3.998 -0.399 1.00 13.34 H new ATOM 0 HG2 ARG A 31 8.984 -3.932 0.512 1.00 44.33 H new ATOM 0 HG3 ARG A 31 9.042 -3.884 -1.239 1.00 44.33 H new ATOM 0 HD2 ARG A 31 8.643 -1.665 -1.023 1.00 60.55 H new ATOM 0 HD3 ARG A 31 6.979 -2.126 -0.725 1.00 60.55 H new ATOM 0 HE ARG A 31 7.213 -1.436 1.474 1.00 23.31 H new ATOM 0 HH11 ARG A 31 10.390 -2.109 0.091 1.00 70.33 H new ATOM 0 HH12 ARG A 31 11.261 -1.532 1.515 1.00 70.33 H new ATOM 0 HH21 ARG A 31 8.339 -0.694 3.300 1.00 31.24 H new ATOM 0 HH22 ARG A 31 10.105 -0.734 3.324 1.00 31.24 H new ATOM 561 N HIS A 32 5.722 -7.578 0.283 1.00 52.23 N ATOM 562 CA HIS A 32 4.473 -8.331 0.261 1.00 62.42 C ATOM 563 C HIS A 32 4.285 -9.108 1.560 1.00 33.52 C ATOM 564 O HIS A 32 3.237 -9.716 1.786 1.00 0.54 O ATOM 565 CB HIS A 32 4.453 -9.292 -0.929 1.00 4.22 C ATOM 566 CG HIS A 32 4.005 -8.653 -2.207 1.00 44.31 C ATOM 567 ND1 HIS A 32 2.678 -8.456 -2.525 1.00 42.14 N ATOM 568 CD2 HIS A 32 4.717 -8.163 -3.249 1.00 62.21 C ATOM 569 CE1 HIS A 32 2.593 -7.875 -3.709 1.00 0.44 C ATOM 570 NE2 HIS A 32 3.816 -7.686 -4.169 1.00 45.41 N ATOM 0 H HIS A 32 6.534 -8.098 -0.049 1.00 52.23 H new ATOM 0 HA HIS A 32 3.651 -7.622 0.160 1.00 62.42 H new ATOM 0 HB2 HIS A 32 5.452 -9.704 -1.069 1.00 4.22 H new ATOM 0 HB3 HIS A 32 3.792 -10.128 -0.699 1.00 4.22 H new ATOM 0 HD1 HIS A 32 1.886 -8.718 -1.938 1.00 42.14 H new ATOM 0 HD2 HIS A 32 5.793 -8.150 -3.340 1.00 62.21 H new ATOM 0 HE1 HIS A 32 1.679 -7.601 -4.214 1.00 0.44 H new ATOM 578 N LEU A 33 5.305 -9.086 2.410 1.00 21.24 N ATOM 579 CA LEU A 33 5.252 -9.789 3.688 1.00 64.25 C ATOM 580 C LEU A 33 5.240 -8.804 4.852 1.00 43.44 C ATOM 581 O LEU A 33 6.078 -7.904 4.925 1.00 35.33 O ATOM 582 CB LEU A 33 6.445 -10.738 3.820 1.00 43.53 C ATOM 583 CG LEU A 33 6.176 -12.059 4.540 1.00 74.22 C ATOM 584 CD1 LEU A 33 5.485 -13.043 3.608 1.00 31.25 C ATOM 585 CD2 LEU A 33 7.472 -12.649 5.075 1.00 21.04 C ATOM 0 H LEU A 33 6.179 -8.589 2.238 1.00 21.24 H new ATOM 0 HA LEU A 33 4.329 -10.368 3.718 1.00 64.25 H new ATOM 0 HB2 LEU A 33 6.818 -10.962 2.820 1.00 43.53 H new ATOM 0 HB3 LEU A 33 7.242 -10.215 4.348 1.00 43.53 H new ATOM 0 HG LEU A 33 5.515 -11.863 5.384 1.00 74.22 H new ATOM 0 HD11 LEU A 33 5.301 -13.978 4.137 1.00 31.25 H new ATOM 0 HD12 LEU A 33 4.536 -12.623 3.274 1.00 31.25 H new ATOM 0 HD13 LEU A 33 6.122 -13.234 2.744 1.00 31.25 H new ATOM 0 HD21 LEU A 33 7.261 -13.589 5.584 1.00 21.04 H new ATOM 0 HD22 LEU A 33 8.158 -12.831 4.248 1.00 21.04 H new ATOM 0 HD23 LEU A 33 7.927 -11.950 5.777 1.00 21.04 H new ATOM 597 N SER A 34 4.287 -8.981 5.760 1.00 15.34 N ATOM 598 CA SER A 34 4.164 -8.106 6.921 1.00 44.03 C ATOM 599 C SER A 34 5.503 -7.967 7.640 1.00 71.14 C ATOM 600 O SER A 34 6.424 -8.762 7.450 1.00 51.21 O ATOM 601 CB SER A 34 3.108 -8.648 7.886 1.00 62.14 C ATOM 602 OG SER A 34 3.710 -9.359 8.953 1.00 31.53 O ATOM 0 H SER A 34 3.588 -9.722 5.715 1.00 15.34 H new ATOM 0 HA SER A 34 3.854 -7.121 6.572 1.00 44.03 H new ATOM 0 HB2 SER A 34 2.516 -7.823 8.283 1.00 62.14 H new ATOM 0 HB3 SER A 34 2.422 -9.303 7.349 1.00 62.14 H new ATOM 0 HG SER A 34 3.014 -9.694 9.556 1.00 31.53 H new ATOM 608 N PRO A 35 5.614 -6.932 8.486 1.00 64.51 N ATOM 609 CA PRO A 35 6.835 -6.664 9.251 1.00 4.04 C ATOM 610 C PRO A 35 7.079 -7.706 10.338 1.00 1.40 C ATOM 611 O PRO A 35 8.202 -8.177 10.518 1.00 54.35 O ATOM 612 CB PRO A 35 6.568 -5.292 9.876 1.00 61.22 C ATOM 613 CG PRO A 35 5.084 -5.193 9.952 1.00 74.50 C ATOM 614 CD PRO A 35 4.557 -5.945 8.761 1.00 31.40 C ATOM 0 HA PRO A 35 7.725 -6.696 8.622 1.00 4.04 H new ATOM 0 HB2 PRO A 35 7.021 -5.212 10.864 1.00 61.22 H new ATOM 0 HB3 PRO A 35 6.988 -4.491 9.267 1.00 61.22 H new ATOM 0 HG2 PRO A 35 4.711 -5.624 10.881 1.00 74.50 H new ATOM 0 HG3 PRO A 35 4.761 -4.152 9.931 1.00 74.50 H new ATOM 0 HD2 PRO A 35 3.604 -6.427 8.980 1.00 31.40 H new ATOM 0 HD3 PRO A 35 4.392 -5.285 7.910 1.00 31.40 H new ATOM 622 N GLU A 36 6.020 -8.060 11.059 1.00 25.55 N ATOM 623 CA GLU A 36 6.121 -9.047 12.129 1.00 44.32 C ATOM 624 C GLU A 36 6.499 -10.416 11.572 1.00 62.31 C ATOM 625 O GLU A 36 7.223 -11.179 12.211 1.00 12.03 O ATOM 626 CB GLU A 36 4.799 -9.141 12.892 1.00 74.40 C ATOM 627 CG GLU A 36 4.646 -8.090 13.978 1.00 30.13 C ATOM 628 CD GLU A 36 3.442 -8.339 14.866 1.00 23.12 C ATOM 629 OE1 GLU A 36 2.314 -8.394 14.335 1.00 54.00 O ATOM 630 OE2 GLU A 36 3.630 -8.479 16.093 1.00 33.40 O ATOM 0 H GLU A 36 5.084 -7.679 10.922 1.00 25.55 H new ATOM 0 HA GLU A 36 6.905 -8.724 12.814 1.00 44.32 H new ATOM 0 HB2 GLU A 36 3.974 -9.044 12.186 1.00 74.40 H new ATOM 0 HB3 GLU A 36 4.719 -10.130 13.342 1.00 74.40 H new ATOM 0 HG2 GLU A 36 5.547 -8.072 14.591 1.00 30.13 H new ATOM 0 HG3 GLU A 36 4.555 -7.107 13.516 1.00 30.13 H new ATOM 637 N GLU A 37 6.003 -10.720 10.377 1.00 72.13 N ATOM 638 CA GLU A 37 6.287 -11.998 9.735 1.00 61.04 C ATOM 639 C GLU A 37 7.723 -12.041 9.221 1.00 25.32 C ATOM 640 O GLU A 37 8.405 -13.060 9.335 1.00 32.51 O ATOM 641 CB GLU A 37 5.313 -12.241 8.580 1.00 65.55 C ATOM 642 CG GLU A 37 4.245 -13.276 8.892 1.00 40.42 C ATOM 643 CD GLU A 37 3.443 -12.930 10.131 1.00 1.15 C ATOM 644 OE1 GLU A 37 3.855 -13.340 11.237 1.00 0.41 O ATOM 645 OE2 GLU A 37 2.404 -12.250 9.996 1.00 22.54 O ATOM 0 H GLU A 37 5.403 -10.099 9.834 1.00 72.13 H new ATOM 0 HA GLU A 37 6.162 -12.785 10.479 1.00 61.04 H new ATOM 0 HB2 GLU A 37 4.829 -11.300 8.319 1.00 65.55 H new ATOM 0 HB3 GLU A 37 5.875 -12.564 7.704 1.00 65.55 H new ATOM 0 HG2 GLU A 37 3.571 -13.365 8.040 1.00 40.42 H new ATOM 0 HG3 GLU A 37 4.716 -14.249 9.029 1.00 40.42 H new ATOM 652 N PHE A 38 8.177 -10.928 8.655 1.00 50.10 N ATOM 653 CA PHE A 38 9.531 -10.838 8.122 1.00 24.02 C ATOM 654 C PHE A 38 10.565 -11.042 9.226 1.00 32.41 C ATOM 655 O PHE A 38 11.551 -11.756 9.043 1.00 55.24 O ATOM 656 CB PHE A 38 9.749 -9.481 7.450 1.00 73.05 C ATOM 657 CG PHE A 38 10.536 -9.564 6.173 1.00 1.22 C ATOM 658 CD1 PHE A 38 9.995 -10.165 5.048 1.00 64.00 C ATOM 659 CD2 PHE A 38 11.817 -9.040 6.098 1.00 14.04 C ATOM 660 CE1 PHE A 38 10.718 -10.243 3.873 1.00 63.24 C ATOM 661 CE2 PHE A 38 12.544 -9.115 4.925 1.00 1.25 C ATOM 662 CZ PHE A 38 11.994 -9.716 3.811 1.00 74.42 C ATOM 0 H PHE A 38 7.627 -10.075 8.554 1.00 50.10 H new ATOM 0 HA PHE A 38 9.655 -11.627 7.381 1.00 24.02 H new ATOM 0 HB2 PHE A 38 8.780 -9.028 7.241 1.00 73.05 H new ATOM 0 HB3 PHE A 38 10.267 -8.820 8.144 1.00 73.05 H new ATOM 0 HD1 PHE A 38 8.998 -10.577 5.090 1.00 64.00 H new ATOM 0 HD2 PHE A 38 12.252 -8.568 6.966 1.00 14.04 H new ATOM 0 HE1 PHE A 38 10.286 -10.716 3.003 1.00 63.24 H new ATOM 0 HE2 PHE A 38 13.542 -8.704 4.880 1.00 1.25 H new ATOM 0 HZ PHE A 38 12.560 -9.774 2.893 1.00 74.42 H new ATOM 672 N GLN A 39 10.331 -10.410 10.372 1.00 71.24 N ATOM 673 CA GLN A 39 11.242 -10.521 11.505 1.00 71.43 C ATOM 674 C GLN A 39 11.053 -11.851 12.227 1.00 74.41 C ATOM 675 O GLN A 39 11.957 -12.332 12.909 1.00 1.51 O ATOM 676 CB GLN A 39 11.022 -9.363 12.479 1.00 53.22 C ATOM 677 CG GLN A 39 9.639 -9.353 13.110 1.00 31.33 C ATOM 678 CD GLN A 39 9.540 -10.273 14.311 1.00 15.04 C ATOM 679 OE1 GLN A 39 10.550 -10.643 14.910 1.00 41.02 O ATOM 680 NE2 GLN A 39 8.317 -10.647 14.671 1.00 23.40 N ATOM 0 H GLN A 39 9.519 -9.816 10.540 1.00 71.24 H new ATOM 0 HA GLN A 39 12.262 -10.477 11.124 1.00 71.43 H new ATOM 0 HB2 GLN A 39 11.772 -9.416 13.268 1.00 53.22 H new ATOM 0 HB3 GLN A 39 11.179 -8.422 11.952 1.00 53.22 H new ATOM 0 HG2 GLN A 39 9.390 -8.336 13.414 1.00 31.33 H new ATOM 0 HG3 GLN A 39 8.902 -9.653 12.365 1.00 31.33 H new ATOM 0 HE21 GLN A 39 7.507 -10.316 14.146 1.00 23.40 H new ATOM 0 HE22 GLN A 39 8.188 -11.265 15.472 1.00 23.40 H new ATOM 689 N GLU A 40 9.871 -12.441 12.072 1.00 40.43 N ATOM 690 CA GLU A 40 9.564 -13.715 12.711 1.00 52.23 C ATOM 691 C GLU A 40 10.076 -14.882 11.871 1.00 1.24 C ATOM 692 O GLU A 40 10.440 -15.931 12.403 1.00 11.10 O ATOM 693 CB GLU A 40 8.055 -13.851 12.927 1.00 23.52 C ATOM 694 CG GLU A 40 7.643 -15.192 13.511 1.00 22.40 C ATOM 695 CD GLU A 40 8.129 -15.383 14.935 1.00 52.31 C ATOM 696 OE1 GLU A 40 9.359 -15.363 15.151 1.00 75.35 O ATOM 697 OE2 GLU A 40 7.278 -15.551 15.834 1.00 40.14 O ATOM 0 H GLU A 40 9.111 -12.057 11.510 1.00 40.43 H new ATOM 0 HA GLU A 40 10.066 -13.738 13.678 1.00 52.23 H new ATOM 0 HB2 GLU A 40 7.718 -13.056 13.592 1.00 23.52 H new ATOM 0 HB3 GLU A 40 7.545 -13.707 11.974 1.00 23.52 H new ATOM 0 HG2 GLU A 40 6.556 -15.276 13.488 1.00 22.40 H new ATOM 0 HG3 GLU A 40 8.038 -15.993 12.886 1.00 22.40 H new ATOM 704 N VAL A 41 10.101 -14.691 10.556 1.00 32.11 N ATOM 705 CA VAL A 41 10.568 -15.726 9.642 1.00 25.52 C ATOM 706 C VAL A 41 12.077 -15.642 9.442 1.00 25.32 C ATOM 707 O VAL A 41 12.721 -16.624 9.069 1.00 11.44 O ATOM 708 CB VAL A 41 9.873 -15.621 8.272 1.00 64.13 C ATOM 709 CG1 VAL A 41 8.367 -15.766 8.424 1.00 30.13 C ATOM 710 CG2 VAL A 41 10.225 -14.304 7.596 1.00 31.14 C ATOM 0 H VAL A 41 9.803 -13.829 10.100 1.00 32.11 H new ATOM 0 HA VAL A 41 10.317 -16.685 10.095 1.00 25.52 H new ATOM 0 HB VAL A 41 10.230 -16.434 7.640 1.00 64.13 H new ATOM 0 HG11 VAL A 41 7.893 -15.689 7.445 1.00 30.13 H new ATOM 0 HG12 VAL A 41 8.137 -16.737 8.863 1.00 30.13 H new ATOM 0 HG13 VAL A 41 7.989 -14.976 9.073 1.00 30.13 H new ATOM 0 HG21 VAL A 41 9.725 -14.246 6.629 1.00 31.14 H new ATOM 0 HG22 VAL A 41 9.898 -13.474 8.223 1.00 31.14 H new ATOM 0 HG23 VAL A 41 11.304 -14.246 7.451 1.00 31.14 H new ATOM 720 N PHE A 42 12.637 -14.463 9.693 1.00 22.41 N ATOM 721 CA PHE A 42 14.072 -14.250 9.540 1.00 34.23 C ATOM 722 C PHE A 42 14.807 -14.546 10.844 1.00 3.21 C ATOM 723 O PHE A 42 15.835 -15.222 10.850 1.00 31.32 O ATOM 724 CB PHE A 42 14.351 -12.812 9.099 1.00 53.01 C ATOM 725 CG PHE A 42 14.202 -12.599 7.620 1.00 72.45 C ATOM 726 CD1 PHE A 42 13.262 -13.314 6.895 1.00 73.22 C ATOM 727 CD2 PHE A 42 15.001 -11.685 6.954 1.00 44.53 C ATOM 728 CE1 PHE A 42 13.123 -13.121 5.533 1.00 2.03 C ATOM 729 CE2 PHE A 42 14.867 -11.487 5.592 1.00 2.33 C ATOM 730 CZ PHE A 42 13.926 -12.205 4.881 1.00 20.35 C ATOM 0 H PHE A 42 12.119 -13.641 10.003 1.00 22.41 H new ATOM 0 HA PHE A 42 14.437 -14.935 8.774 1.00 34.23 H new ATOM 0 HB2 PHE A 42 13.672 -12.141 9.625 1.00 53.01 H new ATOM 0 HB3 PHE A 42 15.363 -12.539 9.397 1.00 53.01 H new ATOM 0 HD1 PHE A 42 12.631 -14.030 7.400 1.00 73.22 H new ATOM 0 HD2 PHE A 42 15.738 -11.120 7.505 1.00 44.53 H new ATOM 0 HE1 PHE A 42 12.387 -13.686 4.979 1.00 2.03 H new ATOM 0 HE2 PHE A 42 15.498 -10.772 5.085 1.00 2.33 H new ATOM 0 HZ PHE A 42 13.818 -12.051 3.818 1.00 20.35 H new ATOM 740 N GLY A 43 14.273 -14.032 11.948 1.00 31.30 N ATOM 741 CA GLY A 43 14.891 -14.251 13.243 1.00 42.14 C ATOM 742 C GLY A 43 15.250 -12.954 13.940 1.00 11.22 C ATOM 743 O GLY A 43 15.065 -12.820 15.150 1.00 62.35 O ATOM 0 H GLY A 43 13.423 -13.468 11.969 1.00 31.30 H new ATOM 0 HA2 GLY A 43 14.211 -14.823 13.874 1.00 42.14 H new ATOM 0 HA3 GLY A 43 15.791 -14.853 13.116 1.00 42.14 H new ATOM 747 N MET A 44 15.766 -11.996 13.177 1.00 73.14 N ATOM 748 CA MET A 44 16.152 -10.703 13.730 1.00 73.12 C ATOM 749 C MET A 44 14.936 -9.796 13.890 1.00 1.33 C ATOM 750 O MET A 44 13.798 -10.230 13.715 1.00 71.41 O ATOM 751 CB MET A 44 17.190 -10.029 12.831 1.00 64.51 C ATOM 752 CG MET A 44 16.812 -10.031 11.359 1.00 65.14 C ATOM 753 SD MET A 44 17.650 -11.329 10.428 1.00 10.30 S ATOM 754 CE MET A 44 18.494 -10.360 9.181 1.00 45.53 C ATOM 0 H MET A 44 15.926 -12.091 12.174 1.00 73.14 H new ATOM 0 HA MET A 44 16.589 -10.873 14.714 1.00 73.12 H new ATOM 0 HB2 MET A 44 17.330 -8.999 13.160 1.00 64.51 H new ATOM 0 HB3 MET A 44 18.147 -10.536 12.952 1.00 64.51 H new ATOM 0 HG2 MET A 44 15.734 -10.160 11.265 1.00 65.14 H new ATOM 0 HG3 MET A 44 17.056 -9.062 10.924 1.00 65.14 H new ATOM 0 HE1 MET A 44 19.471 -10.799 8.978 1.00 45.53 H new ATOM 0 HE2 MET A 44 17.903 -10.351 8.265 1.00 45.53 H new ATOM 0 HE3 MET A 44 18.623 -9.339 9.539 1.00 45.53 H new ATOM 764 N SER A 45 15.185 -8.534 14.225 1.00 2.30 N ATOM 765 CA SER A 45 14.110 -7.566 14.413 1.00 25.33 C ATOM 766 C SER A 45 13.820 -6.817 13.116 1.00 23.41 C ATOM 767 O SER A 45 14.712 -6.613 12.292 1.00 61.20 O ATOM 768 CB SER A 45 14.477 -6.573 15.518 1.00 62.33 C ATOM 769 OG SER A 45 14.749 -5.291 14.980 1.00 2.54 O ATOM 0 H SER A 45 16.122 -8.158 14.372 1.00 2.30 H new ATOM 0 HA SER A 45 13.212 -8.110 14.706 1.00 25.33 H new ATOM 0 HB2 SER A 45 13.660 -6.504 16.236 1.00 62.33 H new ATOM 0 HB3 SER A 45 15.349 -6.935 16.062 1.00 62.33 H new ATOM 0 HG SER A 45 14.979 -4.674 15.706 1.00 2.54 H new ATOM 775 N ILE A 46 12.567 -6.411 12.943 1.00 43.03 N ATOM 776 CA ILE A 46 12.159 -5.684 11.747 1.00 1.01 C ATOM 777 C ILE A 46 13.024 -4.446 11.535 1.00 54.14 C ATOM 778 O ILE A 46 13.259 -4.029 10.401 1.00 12.21 O ATOM 779 CB ILE A 46 10.681 -5.257 11.825 1.00 63.22 C ATOM 780 CG1 ILE A 46 10.125 -5.010 10.421 1.00 33.02 C ATOM 781 CG2 ILE A 46 10.534 -4.012 12.686 1.00 43.52 C ATOM 782 CD1 ILE A 46 10.293 -3.583 9.947 1.00 32.41 C ATOM 0 H ILE A 46 11.817 -6.573 13.615 1.00 43.03 H new ATOM 0 HA ILE A 46 12.288 -6.363 10.905 1.00 1.01 H new ATOM 0 HB ILE A 46 10.109 -6.062 12.286 1.00 63.22 H new ATOM 0 HG12 ILE A 46 10.623 -5.679 9.719 1.00 33.02 H new ATOM 0 HG13 ILE A 46 9.066 -5.266 10.408 1.00 33.02 H new ATOM 0 HG21 ILE A 46 9.484 -3.723 12.731 1.00 43.52 H new ATOM 0 HG22 ILE A 46 10.897 -4.221 13.692 1.00 43.52 H new ATOM 0 HG23 ILE A 46 11.116 -3.199 12.252 1.00 43.52 H new ATOM 0 HD11 ILE A 46 9.876 -3.481 8.945 1.00 32.41 H new ATOM 0 HD12 ILE A 46 9.771 -2.910 10.627 1.00 32.41 H new ATOM 0 HD13 ILE A 46 11.353 -3.329 9.927 1.00 32.41 H new ATOM 794 N GLU A 47 13.495 -3.864 12.633 1.00 21.31 N ATOM 795 CA GLU A 47 14.335 -2.674 12.566 1.00 31.11 C ATOM 796 C GLU A 47 15.653 -2.978 11.860 1.00 4.34 C ATOM 797 O GLU A 47 16.166 -2.156 11.101 1.00 11.14 O ATOM 798 CB GLU A 47 14.608 -2.136 13.972 1.00 24.01 C ATOM 799 CG GLU A 47 13.373 -2.083 14.855 1.00 54.35 C ATOM 800 CD GLU A 47 13.522 -1.111 16.009 1.00 54.10 C ATOM 801 OE1 GLU A 47 14.286 -0.134 15.866 1.00 2.21 O ATOM 802 OE2 GLU A 47 12.874 -1.327 17.055 1.00 64.23 O ATOM 0 H GLU A 47 13.309 -4.197 13.579 1.00 21.31 H new ATOM 0 HA GLU A 47 13.802 -1.916 11.992 1.00 31.11 H new ATOM 0 HB2 GLU A 47 15.360 -2.762 14.452 1.00 24.01 H new ATOM 0 HB3 GLU A 47 15.031 -1.134 13.893 1.00 24.01 H new ATOM 0 HG2 GLU A 47 12.512 -1.796 14.252 1.00 54.35 H new ATOM 0 HG3 GLU A 47 13.169 -3.079 15.248 1.00 54.35 H new ATOM 809 N GLU A 48 16.196 -4.164 12.118 1.00 43.43 N ATOM 810 CA GLU A 48 17.456 -4.575 11.508 1.00 14.13 C ATOM 811 C GLU A 48 17.366 -4.523 9.986 1.00 51.21 C ATOM 812 O GLU A 48 18.290 -4.063 9.314 1.00 74.42 O ATOM 813 CB GLU A 48 17.829 -5.988 11.960 1.00 33.41 C ATOM 814 CG GLU A 48 19.312 -6.295 11.838 1.00 10.31 C ATOM 815 CD GLU A 48 20.114 -5.771 13.013 1.00 25.03 C ATOM 816 OE1 GLU A 48 19.687 -5.985 14.167 1.00 60.02 O ATOM 817 OE2 GLU A 48 21.171 -5.147 12.779 1.00 73.13 O ATOM 0 H GLU A 48 15.784 -4.856 12.744 1.00 43.43 H new ATOM 0 HA GLU A 48 18.231 -3.881 11.832 1.00 14.13 H new ATOM 0 HB2 GLU A 48 17.523 -6.121 12.998 1.00 33.41 H new ATOM 0 HB3 GLU A 48 17.267 -6.710 11.367 1.00 33.41 H new ATOM 0 HG2 GLU A 48 19.451 -7.373 11.760 1.00 10.31 H new ATOM 0 HG3 GLU A 48 19.695 -5.857 10.917 1.00 10.31 H new ATOM 824 N PHE A 49 16.247 -4.997 9.448 1.00 21.54 N ATOM 825 CA PHE A 49 16.036 -5.007 8.006 1.00 42.05 C ATOM 826 C PHE A 49 16.145 -3.598 7.431 1.00 52.33 C ATOM 827 O PHE A 49 16.935 -3.346 6.521 1.00 5.12 O ATOM 828 CB PHE A 49 14.666 -5.601 7.673 1.00 61.41 C ATOM 829 CG PHE A 49 14.421 -6.938 8.313 1.00 41.02 C ATOM 830 CD1 PHE A 49 15.422 -7.895 8.353 1.00 71.43 C ATOM 831 CD2 PHE A 49 13.190 -7.237 8.875 1.00 45.22 C ATOM 832 CE1 PHE A 49 15.199 -9.126 8.940 1.00 32.42 C ATOM 833 CE2 PHE A 49 12.962 -8.466 9.464 1.00 14.01 C ATOM 834 CZ PHE A 49 13.968 -9.412 9.498 1.00 54.43 C ATOM 0 H PHE A 49 15.472 -5.379 9.990 1.00 21.54 H new ATOM 0 HA PHE A 49 16.812 -5.626 7.555 1.00 42.05 H new ATOM 0 HB2 PHE A 49 13.890 -4.906 7.993 1.00 61.41 H new ATOM 0 HB3 PHE A 49 14.576 -5.703 6.591 1.00 61.41 H new ATOM 0 HD1 PHE A 49 16.387 -7.677 7.921 1.00 71.43 H new ATOM 0 HD2 PHE A 49 12.400 -6.501 8.852 1.00 45.22 H new ATOM 0 HE1 PHE A 49 15.987 -9.864 8.963 1.00 32.42 H new ATOM 0 HE2 PHE A 49 11.998 -8.687 9.898 1.00 14.01 H new ATOM 0 HZ PHE A 49 13.793 -10.373 9.960 1.00 54.43 H new ATOM 844 N ASP A 50 15.345 -2.683 7.968 1.00 72.14 N ATOM 845 CA ASP A 50 15.350 -1.299 7.509 1.00 3.34 C ATOM 846 C ASP A 50 16.753 -0.705 7.592 1.00 11.51 C ATOM 847 O ASP A 50 17.161 0.072 6.728 1.00 14.24 O ATOM 848 CB ASP A 50 14.378 -0.460 8.340 1.00 31.24 C ATOM 849 CG ASP A 50 14.283 0.971 7.851 1.00 41.44 C ATOM 850 OD1 ASP A 50 13.436 1.244 6.974 1.00 10.22 O ATOM 851 OD2 ASP A 50 15.055 1.819 8.344 1.00 5.31 O ATOM 0 H ASP A 50 14.685 -2.875 8.722 1.00 72.14 H new ATOM 0 HA ASP A 50 15.030 -1.286 6.467 1.00 3.34 H new ATOM 0 HB2 ASP A 50 13.389 -0.918 8.309 1.00 31.24 H new ATOM 0 HB3 ASP A 50 14.698 -0.464 9.382 1.00 31.24 H new ATOM 856 N ARG A 51 17.486 -1.074 8.637 1.00 31.22 N ATOM 857 CA ARG A 51 18.842 -0.576 8.834 1.00 71.00 C ATOM 858 C ARG A 51 19.815 -1.255 7.874 1.00 0.34 C ATOM 859 O ARG A 51 20.858 -0.696 7.533 1.00 41.34 O ATOM 860 CB ARG A 51 19.289 -0.808 10.279 1.00 55.43 C ATOM 861 CG ARG A 51 18.994 0.363 11.202 1.00 4.22 C ATOM 862 CD ARG A 51 17.681 0.171 11.945 1.00 64.22 C ATOM 863 NE ARG A 51 17.532 1.117 13.047 1.00 50.52 N ATOM 864 CZ ARG A 51 18.147 0.986 14.217 1.00 73.00 C ATOM 865 NH1 ARG A 51 18.948 -0.047 14.436 1.00 24.11 N ATOM 866 NH2 ARG A 51 17.960 1.889 15.171 1.00 43.42 N ATOM 0 H ARG A 51 17.164 -1.716 9.361 1.00 31.22 H new ATOM 0 HA ARG A 51 18.843 0.494 8.628 1.00 71.00 H new ATOM 0 HB2 ARG A 51 18.793 -1.698 10.665 1.00 55.43 H new ATOM 0 HB3 ARG A 51 20.360 -1.009 10.291 1.00 55.43 H new ATOM 0 HG2 ARG A 51 19.806 0.475 11.920 1.00 4.22 H new ATOM 0 HG3 ARG A 51 18.953 1.284 10.621 1.00 4.22 H new ATOM 0 HD2 ARG A 51 16.850 0.291 11.250 1.00 64.22 H new ATOM 0 HD3 ARG A 51 17.629 -0.847 12.332 1.00 64.22 H new ATOM 0 HE ARG A 51 16.922 1.923 12.911 1.00 50.52 H new ATOM 0 HH11 ARG A 51 19.093 -0.744 13.705 1.00 24.11 H new ATOM 0 HH12 ARG A 51 19.419 -0.145 15.335 1.00 24.11 H new ATOM 0 HH21 ARG A 51 17.343 2.685 15.006 1.00 43.42 H new ATOM 0 HH22 ARG A 51 18.433 1.787 16.069 1.00 43.42 H new ATOM 880 N LEU A 52 19.467 -2.462 7.444 1.00 65.33 N ATOM 881 CA LEU A 52 20.310 -3.218 6.524 1.00 62.34 C ATOM 882 C LEU A 52 20.136 -2.721 5.092 1.00 3.22 C ATOM 883 O LEU A 52 19.259 -1.905 4.810 1.00 31.24 O ATOM 884 CB LEU A 52 19.975 -4.709 6.602 1.00 42.22 C ATOM 885 CG LEU A 52 20.551 -5.464 7.800 1.00 21.21 C ATOM 886 CD1 LEU A 52 19.918 -6.842 7.917 1.00 63.13 C ATOM 887 CD2 LEU A 52 22.064 -5.578 7.682 1.00 71.34 C ATOM 0 H LEU A 52 18.607 -2.939 7.717 1.00 65.33 H new ATOM 0 HA LEU A 52 21.349 -3.069 6.817 1.00 62.34 H new ATOM 0 HB2 LEU A 52 18.890 -4.817 6.617 1.00 42.22 H new ATOM 0 HB3 LEU A 52 20.330 -5.189 5.690 1.00 42.22 H new ATOM 0 HG LEU A 52 20.319 -4.902 8.705 1.00 21.21 H new ATOM 0 HD11 LEU A 52 20.340 -7.365 8.775 1.00 63.13 H new ATOM 0 HD12 LEU A 52 18.841 -6.738 8.050 1.00 63.13 H new ATOM 0 HD13 LEU A 52 20.118 -7.413 7.010 1.00 63.13 H new ATOM 0 HD21 LEU A 52 22.456 -6.118 8.543 1.00 71.34 H new ATOM 0 HD22 LEU A 52 22.318 -6.117 6.769 1.00 71.34 H new ATOM 0 HD23 LEU A 52 22.503 -4.581 7.649 1.00 71.34 H new ATOM 899 N ALA A 53 20.977 -3.219 4.192 1.00 60.32 N ATOM 900 CA ALA A 53 20.914 -2.829 2.789 1.00 55.21 C ATOM 901 C ALA A 53 20.082 -3.819 1.981 1.00 53.24 C ATOM 902 O ALA A 53 19.683 -4.869 2.486 1.00 0.23 O ATOM 903 CB ALA A 53 22.315 -2.717 2.208 1.00 4.33 C ATOM 0 H ALA A 53 21.710 -3.894 4.410 1.00 60.32 H new ATOM 0 HA ALA A 53 20.430 -1.854 2.730 1.00 55.21 H new ATOM 0 HB1 ALA A 53 22.252 -2.425 1.160 1.00 4.33 H new ATOM 0 HB2 ALA A 53 22.879 -1.966 2.761 1.00 4.33 H new ATOM 0 HB3 ALA A 53 22.820 -3.680 2.287 1.00 4.33 H new ATOM 909 N LEU A 54 19.822 -3.478 0.723 1.00 23.01 N ATOM 910 CA LEU A 54 19.037 -4.337 -0.156 1.00 35.21 C ATOM 911 C LEU A 54 19.696 -5.704 -0.313 1.00 51.44 C ATOM 912 O LEU A 54 19.082 -6.735 -0.040 1.00 72.04 O ATOM 913 CB LEU A 54 18.867 -3.679 -1.526 1.00 73.23 C ATOM 914 CG LEU A 54 17.533 -3.929 -2.230 1.00 74.54 C ATOM 915 CD1 LEU A 54 17.709 -3.884 -3.740 1.00 40.32 C ATOM 916 CD2 LEU A 54 16.945 -5.266 -1.800 1.00 42.25 C ATOM 0 H LEU A 54 20.144 -2.613 0.289 1.00 23.01 H new ATOM 0 HA LEU A 54 18.055 -4.478 0.296 1.00 35.21 H new ATOM 0 HB2 LEU A 54 18.997 -2.603 -1.409 1.00 73.23 H new ATOM 0 HB3 LEU A 54 19.669 -4.028 -2.176 1.00 73.23 H new ATOM 0 HG LEU A 54 16.839 -3.139 -1.942 1.00 74.54 H new ATOM 0 HD11 LEU A 54 16.749 -4.064 -4.224 1.00 40.32 H new ATOM 0 HD12 LEU A 54 18.085 -2.904 -4.033 1.00 40.32 H new ATOM 0 HD13 LEU A 54 18.419 -4.652 -4.047 1.00 40.32 H new ATOM 0 HD21 LEU A 54 15.996 -5.427 -2.311 1.00 42.25 H new ATOM 0 HD22 LEU A 54 17.637 -6.068 -2.058 1.00 42.25 H new ATOM 0 HD23 LEU A 54 16.781 -5.262 -0.722 1.00 42.25 H new ATOM 928 N TRP A 55 20.949 -5.703 -0.753 1.00 50.50 N ATOM 929 CA TRP A 55 21.693 -6.943 -0.945 1.00 14.45 C ATOM 930 C TRP A 55 21.477 -7.893 0.228 1.00 70.32 C ATOM 931 O TRP A 55 21.330 -9.101 0.042 1.00 60.42 O ATOM 932 CB TRP A 55 23.184 -6.647 -1.109 1.00 41.45 C ATOM 933 CG TRP A 55 23.843 -6.192 0.158 1.00 63.34 C ATOM 934 CD1 TRP A 55 23.983 -4.905 0.593 1.00 65.43 C ATOM 935 CD2 TRP A 55 24.453 -7.023 1.152 1.00 40.22 C ATOM 936 NE1 TRP A 55 24.644 -4.886 1.798 1.00 52.25 N ATOM 937 CE2 TRP A 55 24.942 -6.172 2.163 1.00 71.05 C ATOM 938 CE3 TRP A 55 24.632 -8.402 1.288 1.00 72.02 C ATOM 939 CZ2 TRP A 55 25.598 -6.657 3.291 1.00 73.33 C ATOM 940 CZ3 TRP A 55 25.283 -8.882 2.408 1.00 62.00 C ATOM 941 CH2 TRP A 55 25.759 -8.012 3.398 1.00 40.11 C ATOM 0 H TRP A 55 21.471 -4.858 -0.984 1.00 50.50 H new ATOM 0 HA TRP A 55 21.324 -7.423 -1.851 1.00 14.45 H new ATOM 0 HB2 TRP A 55 23.687 -7.544 -1.470 1.00 41.45 H new ATOM 0 HB3 TRP A 55 23.313 -5.880 -1.873 1.00 41.45 H new ATOM 0 HD1 TRP A 55 23.627 -4.031 0.068 1.00 65.43 H new ATOM 0 HE1 TRP A 55 24.875 -4.049 2.334 1.00 52.25 H new ATOM 0 HE3 TRP A 55 24.268 -9.081 0.531 1.00 72.02 H new ATOM 0 HZ2 TRP A 55 25.967 -5.988 4.054 1.00 73.33 H new ATOM 0 HZ3 TRP A 55 25.428 -9.946 2.523 1.00 62.00 H new ATOM 0 HH2 TRP A 55 26.263 -8.419 4.262 1.00 40.11 H new ATOM 952 N LYS A 56 21.459 -7.341 1.436 1.00 33.02 N ATOM 953 CA LYS A 56 21.259 -8.139 2.640 1.00 63.42 C ATOM 954 C LYS A 56 19.828 -8.662 2.715 1.00 24.40 C ATOM 955 O LYS A 56 19.603 -9.850 2.947 1.00 23.24 O ATOM 956 CB LYS A 56 21.576 -7.309 3.886 1.00 62.03 C ATOM 957 CG LYS A 56 21.682 -8.135 5.156 1.00 11.42 C ATOM 958 CD LYS A 56 23.048 -8.786 5.286 1.00 65.34 C ATOM 959 CE LYS A 56 23.256 -9.375 6.673 1.00 60.14 C ATOM 960 NZ LYS A 56 24.683 -9.313 7.094 1.00 40.23 N ATOM 0 H LYS A 56 21.581 -6.343 1.608 1.00 33.02 H new ATOM 0 HA LYS A 56 21.937 -8.991 2.597 1.00 63.42 H new ATOM 0 HB2 LYS A 56 22.514 -6.777 3.729 1.00 62.03 H new ATOM 0 HB3 LYS A 56 20.800 -6.555 4.017 1.00 62.03 H new ATOM 0 HG2 LYS A 56 21.498 -7.498 6.021 1.00 11.42 H new ATOM 0 HG3 LYS A 56 20.910 -8.904 5.156 1.00 11.42 H new ATOM 0 HD2 LYS A 56 23.151 -9.571 4.537 1.00 65.34 H new ATOM 0 HD3 LYS A 56 23.824 -8.048 5.083 1.00 65.34 H new ATOM 0 HE2 LYS A 56 22.641 -8.835 7.393 1.00 60.14 H new ATOM 0 HE3 LYS A 56 22.920 -10.412 6.681 1.00 60.14 H new ATOM 0 HZ1 LYS A 56 24.783 -9.724 8.044 1.00 40.23 H new ATOM 0 HZ2 LYS A 56 25.267 -9.850 6.421 1.00 40.23 H new ATOM 0 HZ3 LYS A 56 24.997 -8.322 7.111 1.00 40.23 H new ATOM 974 N ARG A 57 18.865 -7.769 2.516 1.00 43.43 N ATOM 975 CA ARG A 57 17.456 -8.141 2.561 1.00 44.23 C ATOM 976 C ARG A 57 17.157 -9.257 1.564 1.00 12.04 C ATOM 977 O ARG A 57 16.372 -10.161 1.848 1.00 63.22 O ATOM 978 CB ARG A 57 16.576 -6.926 2.262 1.00 42.13 C ATOM 979 CG ARG A 57 16.985 -5.675 3.023 1.00 63.35 C ATOM 980 CD ARG A 57 15.826 -5.108 3.826 1.00 53.41 C ATOM 981 NE ARG A 57 14.730 -4.665 2.968 1.00 70.23 N ATOM 982 CZ ARG A 57 14.710 -3.491 2.348 1.00 43.43 C ATOM 983 NH1 ARG A 57 15.722 -2.645 2.490 1.00 72.33 N ATOM 984 NH2 ARG A 57 13.677 -3.160 1.583 1.00 3.23 N ATOM 0 H ARG A 57 19.034 -6.782 2.322 1.00 43.43 H new ATOM 0 HA ARG A 57 17.233 -8.504 3.564 1.00 44.23 H new ATOM 0 HB2 ARG A 57 16.610 -6.718 1.193 1.00 42.13 H new ATOM 0 HB3 ARG A 57 15.542 -7.168 2.507 1.00 42.13 H new ATOM 0 HG2 ARG A 57 17.813 -5.909 3.692 1.00 63.35 H new ATOM 0 HG3 ARG A 57 17.346 -4.923 2.322 1.00 63.35 H new ATOM 0 HD2 ARG A 57 15.460 -5.866 4.519 1.00 53.41 H new ATOM 0 HD3 ARG A 57 16.177 -4.269 4.427 1.00 53.41 H new ATOM 0 HE ARG A 57 13.936 -5.292 2.838 1.00 70.23 H new ATOM 0 HH11 ARG A 57 16.518 -2.896 3.077 1.00 72.33 H new ATOM 0 HH12 ARG A 57 15.704 -1.744 2.013 1.00 72.33 H new ATOM 0 HH21 ARG A 57 12.897 -3.808 1.471 1.00 3.23 H new ATOM 0 HH22 ARG A 57 13.663 -2.258 1.107 1.00 3.23 H new ATOM 998 N ASN A 58 17.787 -9.186 0.396 1.00 1.54 N ATOM 999 CA ASN A 58 17.587 -10.189 -0.643 1.00 21.24 C ATOM 1000 C ASN A 58 18.143 -11.542 -0.207 1.00 2.51 C ATOM 1001 O ASN A 58 17.448 -12.556 -0.261 1.00 23.45 O ATOM 1002 CB ASN A 58 18.257 -9.746 -1.945 1.00 14.41 C ATOM 1003 CG ASN A 58 17.337 -8.906 -2.811 1.00 22.22 C ATOM 1004 OD1 ASN A 58 16.156 -9.218 -2.966 1.00 3.24 O ATOM 1005 ND2 ASN A 58 17.877 -7.835 -3.381 1.00 15.34 N ATOM 0 H ASN A 58 18.440 -8.444 0.145 1.00 1.54 H new ATOM 0 HA ASN A 58 16.515 -10.293 -0.811 1.00 21.24 H new ATOM 0 HB2 ASN A 58 19.155 -9.174 -1.712 1.00 14.41 H new ATOM 0 HB3 ASN A 58 18.575 -10.626 -2.504 1.00 14.41 H new ATOM 0 HD21 ASN A 58 17.308 -7.232 -3.976 1.00 15.34 H new ATOM 0 HD22 ASN A 58 18.861 -7.615 -3.224 1.00 15.34 H new ATOM 1012 N ASP A 59 19.399 -11.547 0.225 1.00 45.02 N ATOM 1013 CA ASP A 59 20.049 -12.774 0.672 1.00 41.33 C ATOM 1014 C ASP A 59 19.223 -13.463 1.754 1.00 44.33 C ATOM 1015 O ASP A 59 18.901 -14.646 1.644 1.00 30.53 O ATOM 1016 CB ASP A 59 21.452 -12.470 1.199 1.00 22.13 C ATOM 1017 CG ASP A 59 22.202 -13.724 1.606 1.00 14.42 C ATOM 1018 OD1 ASP A 59 22.631 -14.477 0.707 1.00 2.40 O ATOM 1019 OD2 ASP A 59 22.359 -13.951 2.824 1.00 62.23 O ATOM 0 H ASP A 59 19.988 -10.715 0.275 1.00 45.02 H new ATOM 0 HA ASP A 59 20.128 -13.446 -0.182 1.00 41.33 H new ATOM 0 HB2 ASP A 59 22.019 -11.944 0.431 1.00 22.13 H new ATOM 0 HB3 ASP A 59 21.378 -11.800 2.056 1.00 22.13 H new ATOM 1024 N LEU A 60 18.885 -12.715 2.798 1.00 20.13 N ATOM 1025 CA LEU A 60 18.097 -13.254 3.902 1.00 44.22 C ATOM 1026 C LEU A 60 16.769 -13.811 3.401 1.00 14.12 C ATOM 1027 O LEU A 60 16.292 -14.838 3.884 1.00 62.51 O ATOM 1028 CB LEU A 60 17.846 -12.170 4.952 1.00 60.13 C ATOM 1029 CG LEU A 60 19.091 -11.513 5.549 1.00 33.14 C ATOM 1030 CD1 LEU A 60 18.793 -10.078 5.957 1.00 65.35 C ATOM 1031 CD2 LEU A 60 19.596 -12.314 6.741 1.00 45.44 C ATOM 0 H LEU A 60 19.144 -11.734 2.904 1.00 20.13 H new ATOM 0 HA LEU A 60 18.662 -14.067 4.357 1.00 44.22 H new ATOM 0 HB2 LEU A 60 17.230 -11.392 4.502 1.00 60.13 H new ATOM 0 HB3 LEU A 60 17.265 -12.607 5.764 1.00 60.13 H new ATOM 0 HG LEU A 60 19.872 -11.499 4.789 1.00 33.14 H new ATOM 0 HD11 LEU A 60 19.690 -9.626 6.380 1.00 65.35 H new ATOM 0 HD12 LEU A 60 18.478 -9.509 5.082 1.00 65.35 H new ATOM 0 HD13 LEU A 60 17.997 -10.069 6.702 1.00 65.35 H new ATOM 0 HD21 LEU A 60 20.482 -11.832 7.154 1.00 45.44 H new ATOM 0 HD22 LEU A 60 18.819 -12.359 7.504 1.00 45.44 H new ATOM 0 HD23 LEU A 60 19.849 -13.324 6.420 1.00 45.44 H new ATOM 1043 N LYS A 61 16.175 -13.127 2.429 1.00 62.23 N ATOM 1044 CA LYS A 61 14.903 -13.554 1.859 1.00 71.32 C ATOM 1045 C LYS A 61 15.006 -14.968 1.295 1.00 44.10 C ATOM 1046 O LYS A 61 14.225 -15.849 1.654 1.00 63.44 O ATOM 1047 CB LYS A 61 14.463 -12.586 0.759 1.00 54.05 C ATOM 1048 CG LYS A 61 13.550 -11.477 1.254 1.00 64.04 C ATOM 1049 CD LYS A 61 12.773 -10.843 0.112 1.00 4.11 C ATOM 1050 CE LYS A 61 13.536 -9.679 -0.502 1.00 52.12 C ATOM 1051 NZ LYS A 61 12.660 -8.832 -1.358 1.00 74.13 N ATOM 0 H LYS A 61 16.555 -12.274 2.019 1.00 62.23 H new ATOM 0 HA LYS A 61 14.158 -13.553 2.655 1.00 71.32 H new ATOM 0 HB2 LYS A 61 15.347 -12.141 0.303 1.00 54.05 H new ATOM 0 HB3 LYS A 61 13.950 -13.146 -0.022 1.00 54.05 H new ATOM 0 HG2 LYS A 61 12.854 -11.879 1.990 1.00 64.04 H new ATOM 0 HG3 LYS A 61 14.143 -10.715 1.759 1.00 64.04 H new ATOM 0 HD2 LYS A 61 12.573 -11.593 -0.654 1.00 4.11 H new ATOM 0 HD3 LYS A 61 11.807 -10.494 0.477 1.00 4.11 H new ATOM 0 HE2 LYS A 61 13.968 -9.069 0.291 1.00 52.12 H new ATOM 0 HE3 LYS A 61 14.365 -10.062 -1.097 1.00 52.12 H new ATOM 0 HZ1 LYS A 61 13.229 -8.393 -2.109 1.00 74.13 H new ATOM 0 HZ2 LYS A 61 11.918 -9.422 -1.786 1.00 74.13 H new ATOM 0 HZ3 LYS A 61 12.221 -8.089 -0.777 1.00 74.13 H new ATOM 1065 N LYS A 62 15.976 -15.178 0.412 1.00 44.15 N ATOM 1066 CA LYS A 62 16.185 -16.485 -0.200 1.00 52.13 C ATOM 1067 C LYS A 62 16.361 -17.562 0.865 1.00 70.52 C ATOM 1068 O LYS A 62 15.824 -18.664 0.744 1.00 40.33 O ATOM 1069 CB LYS A 62 17.411 -16.453 -1.116 1.00 14.31 C ATOM 1070 CG LYS A 62 17.250 -15.535 -2.316 1.00 34.33 C ATOM 1071 CD LYS A 62 18.442 -14.606 -2.471 1.00 13.10 C ATOM 1072 CE LYS A 62 18.252 -13.646 -3.636 1.00 22.23 C ATOM 1073 NZ LYS A 62 19.518 -12.946 -3.989 1.00 10.33 N ATOM 0 H LYS A 62 16.631 -14.459 0.104 1.00 44.15 H new ATOM 0 HA LYS A 62 15.303 -16.726 -0.793 1.00 52.13 H new ATOM 0 HB2 LYS A 62 18.278 -16.133 -0.538 1.00 14.31 H new ATOM 0 HB3 LYS A 62 17.618 -17.464 -1.468 1.00 14.31 H new ATOM 0 HG2 LYS A 62 17.134 -16.133 -3.220 1.00 34.33 H new ATOM 0 HG3 LYS A 62 16.340 -14.945 -2.205 1.00 34.33 H new ATOM 0 HD2 LYS A 62 18.585 -14.040 -1.551 1.00 13.10 H new ATOM 0 HD3 LYS A 62 19.346 -15.195 -2.627 1.00 13.10 H new ATOM 0 HE2 LYS A 62 17.887 -14.195 -4.504 1.00 22.23 H new ATOM 0 HE3 LYS A 62 17.489 -12.911 -3.380 1.00 22.23 H new ATOM 0 HZ1 LYS A 62 19.347 -12.301 -4.787 1.00 10.33 H new ATOM 0 HZ2 LYS A 62 19.854 -12.401 -3.169 1.00 10.33 H new ATOM 0 HZ3 LYS A 62 20.238 -13.646 -4.258 1.00 10.33 H new ATOM 1087 N LYS A 63 17.115 -17.238 1.909 1.00 4.33 N ATOM 1088 CA LYS A 63 17.361 -18.176 2.998 1.00 75.10 C ATOM 1089 C LYS A 63 16.066 -18.507 3.733 1.00 14.33 C ATOM 1090 O LYS A 63 15.890 -19.618 4.231 1.00 22.24 O ATOM 1091 CB LYS A 63 18.382 -17.596 3.978 1.00 24.14 C ATOM 1092 CG LYS A 63 18.727 -18.533 5.123 1.00 65.43 C ATOM 1093 CD LYS A 63 20.016 -18.119 5.814 1.00 54.10 C ATOM 1094 CE LYS A 63 19.831 -16.840 6.616 1.00 11.13 C ATOM 1095 NZ LYS A 63 20.914 -16.654 7.621 1.00 22.21 N ATOM 0 H LYS A 63 17.567 -16.331 2.024 1.00 4.33 H new ATOM 0 HA LYS A 63 17.760 -19.095 2.569 1.00 75.10 H new ATOM 0 HB2 LYS A 63 19.294 -17.348 3.435 1.00 24.14 H new ATOM 0 HB3 LYS A 63 17.992 -16.664 4.387 1.00 24.14 H new ATOM 0 HG2 LYS A 63 17.912 -18.541 5.846 1.00 65.43 H new ATOM 0 HG3 LYS A 63 18.827 -19.550 4.744 1.00 65.43 H new ATOM 0 HD2 LYS A 63 20.349 -18.919 6.475 1.00 54.10 H new ATOM 0 HD3 LYS A 63 20.799 -17.973 5.070 1.00 54.10 H new ATOM 0 HE2 LYS A 63 19.813 -15.986 5.939 1.00 11.13 H new ATOM 0 HE3 LYS A 63 18.866 -16.865 7.122 1.00 11.13 H new ATOM 0 HZ1 LYS A 63 20.752 -15.771 8.147 1.00 22.21 H new ATOM 0 HZ2 LYS A 63 20.915 -17.456 8.283 1.00 22.21 H new ATOM 0 HZ3 LYS A 63 21.833 -16.604 7.136 1.00 22.21 H new ATOM 1109 N ALA A 64 15.161 -17.535 3.796 1.00 44.21 N ATOM 1110 CA ALA A 64 13.881 -17.724 4.467 1.00 24.31 C ATOM 1111 C ALA A 64 12.885 -18.435 3.558 1.00 73.11 C ATOM 1112 O ALA A 64 11.715 -18.597 3.909 1.00 61.55 O ATOM 1113 CB ALA A 64 13.321 -16.385 4.923 1.00 61.11 C ATOM 0 H ALA A 64 15.291 -16.608 3.390 1.00 44.21 H new ATOM 0 HA ALA A 64 14.047 -18.352 5.342 1.00 24.31 H new ATOM 0 HB1 ALA A 64 12.365 -16.542 5.422 1.00 61.11 H new ATOM 0 HB2 ALA A 64 14.020 -15.915 5.616 1.00 61.11 H new ATOM 0 HB3 ALA A 64 13.177 -15.737 4.058 1.00 61.11 H new ATOM 1119 N LEU A 65 13.354 -18.856 2.389 1.00 71.53 N ATOM 1120 CA LEU A 65 12.503 -19.550 1.428 1.00 40.01 C ATOM 1121 C LEU A 65 11.478 -18.597 0.822 1.00 74.34 C ATOM 1122 O LEU A 65 10.341 -18.984 0.547 1.00 60.54 O ATOM 1123 CB LEU A 65 11.790 -20.723 2.102 1.00 32.32 C ATOM 1124 CG LEU A 65 12.636 -21.562 3.060 1.00 23.41 C ATOM 1125 CD1 LEU A 65 11.746 -22.360 4.000 1.00 31.12 C ATOM 1126 CD2 LEU A 65 13.560 -22.489 2.283 1.00 3.13 C ATOM 0 H LEU A 65 14.319 -18.729 2.083 1.00 71.53 H new ATOM 0 HA LEU A 65 13.137 -19.931 0.627 1.00 40.01 H new ATOM 0 HB2 LEU A 65 10.933 -20.334 2.652 1.00 32.32 H new ATOM 0 HB3 LEU A 65 11.399 -21.379 1.325 1.00 32.32 H new ATOM 0 HG LEU A 65 13.249 -20.888 3.658 1.00 23.41 H new ATOM 0 HD11 LEU A 65 12.366 -22.951 4.674 1.00 31.12 H new ATOM 0 HD12 LEU A 65 11.126 -21.677 4.581 1.00 31.12 H new ATOM 0 HD13 LEU A 65 11.107 -23.025 3.419 1.00 31.12 H new ATOM 0 HD21 LEU A 65 14.155 -23.079 2.981 1.00 3.13 H new ATOM 0 HD22 LEU A 65 12.965 -23.156 1.659 1.00 3.13 H new ATOM 0 HD23 LEU A 65 14.223 -21.897 1.652 1.00 3.13 H new ATOM 1138 N LEU A 66 11.887 -17.351 0.614 1.00 54.34 N ATOM 1139 CA LEU A 66 11.004 -16.342 0.037 1.00 23.11 C ATOM 1140 C LEU A 66 11.166 -16.279 -1.478 1.00 73.53 C ATOM 1141 O LEU A 66 10.226 -15.946 -2.200 1.00 74.31 O ATOM 1142 CB LEU A 66 11.296 -14.971 0.650 1.00 53.04 C ATOM 1143 CG LEU A 66 10.365 -14.529 1.779 1.00 11.13 C ATOM 1144 CD1 LEU A 66 11.093 -13.600 2.738 1.00 51.51 C ATOM 1145 CD2 LEU A 66 9.125 -13.851 1.214 1.00 2.14 C ATOM 0 H LEU A 66 12.824 -17.014 0.836 1.00 54.34 H new ATOM 0 HA LEU A 66 9.975 -16.623 0.262 1.00 23.11 H new ATOM 0 HB2 LEU A 66 12.318 -14.975 1.029 1.00 53.04 H new ATOM 0 HB3 LEU A 66 11.253 -14.224 -0.143 1.00 53.04 H new ATOM 0 HG LEU A 66 10.050 -15.414 2.332 1.00 11.13 H new ATOM 0 HD11 LEU A 66 10.415 -13.296 3.535 1.00 51.51 H new ATOM 0 HD12 LEU A 66 11.949 -14.120 3.169 1.00 51.51 H new ATOM 0 HD13 LEU A 66 11.438 -12.718 2.199 1.00 51.51 H new ATOM 0 HD21 LEU A 66 8.474 -13.543 2.032 1.00 2.14 H new ATOM 0 HD22 LEU A 66 9.421 -12.975 0.636 1.00 2.14 H new ATOM 0 HD23 LEU A 66 8.591 -14.548 0.568 1.00 2.14 H new ATOM 1157 N PHE A 67 12.363 -16.604 -1.955 1.00 22.05 N ATOM 1158 CA PHE A 67 12.648 -16.586 -3.385 1.00 32.04 C ATOM 1159 C PHE A 67 12.853 -18.002 -3.916 1.00 41.52 C ATOM 1160 O PHE A 67 13.118 -18.197 -5.102 1.00 33.12 O ATOM 1161 CB PHE A 67 13.889 -15.737 -3.669 1.00 30.45 C ATOM 1162 CG PHE A 67 13.669 -14.266 -3.464 1.00 13.13 C ATOM 1163 CD1 PHE A 67 12.391 -13.762 -3.278 1.00 64.32 C ATOM 1164 CD2 PHE A 67 14.739 -13.386 -3.457 1.00 62.11 C ATOM 1165 CE1 PHE A 67 12.185 -12.409 -3.089 1.00 42.31 C ATOM 1166 CE2 PHE A 67 14.539 -12.032 -3.268 1.00 2.30 C ATOM 1167 CZ PHE A 67 13.261 -11.542 -3.085 1.00 74.20 C ATOM 0 H PHE A 67 13.152 -16.883 -1.372 1.00 22.05 H new ATOM 0 HA PHE A 67 11.792 -16.146 -3.896 1.00 32.04 H new ATOM 0 HB2 PHE A 67 14.702 -16.068 -3.022 1.00 30.45 H new ATOM 0 HB3 PHE A 67 14.209 -15.909 -4.697 1.00 30.45 H new ATOM 0 HD1 PHE A 67 11.546 -14.435 -3.281 1.00 64.32 H new ATOM 0 HD2 PHE A 67 15.741 -13.763 -3.601 1.00 62.11 H new ATOM 0 HE1 PHE A 67 11.184 -12.029 -2.945 1.00 42.31 H new ATOM 0 HE2 PHE A 67 15.382 -11.357 -3.263 1.00 2.30 H new ATOM 0 HZ PHE A 67 13.103 -10.484 -2.939 1.00 74.20 H new TER 1177 PHE A 67