USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 935 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 90 TYR OH : rot 43:sc= 0.0845 USER MOD Set 1.2: A 108 GLN : amide:sc= -1.61! K(o=-1.5!,f=0.86) USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0.428 USER MOD Set 2.2: A 85 THR OG1 : rot -77:sc= 0.464 USER MOD Set 3.1: A 21 ASN : amide:sc= -1.29 K(o=-1.3,f=0.25) USER MOD Set 3.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 9 LYS NZ :NH3+ -142:sc= 0.437 (180deg=-0.181) USER MOD Set 4.2: A 10 GLN : amide:sc= 0.0104 K(o=0.45,f=-2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 0.82 (180deg=-0.102) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -1.71! X(o=-1.7!,f=-1.8) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.194 X(o=0.19,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.47) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 64:sc= -1.14! USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 46 HIS : no HD1:sc= -0.206 K(o=-0.21,f=-0.88) USER MOD Single : A 51 GLN : amide:sc=-0.00085 K(o=-0.00085,f=-0.93) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0702) USER MOD Single : A 53 GLN : amide:sc= 0.0961 X(o=0.096,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0.0782 X(o=0.078,f=-0.33) USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= 0.0384 (180deg=-0.191) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 40:sc= 0.094 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -3.53! K(o=-3.5!,f=-1) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.18 X(o=0.18,f=0) USER MOD Single : A 88 THR OG1 : rot 156:sc= 0.019 USER MOD Single : A 89 THR OG1 : rot -25:sc= 0.102 USER MOD Single : A 100 THR OG1 : rot 33:sc= 0.608 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -1.51! K(o=-1.5!,f=0) USER MOD Single : A 112 SER OG : rot -111:sc= 0.952 USER MOD Single : A 115 HIS : no HD1:sc=-0.00316 X(o=-0.0032,f=0) USER MOD Single : A 116 HIS : no HD1:sc= -0.403 K(o=-0.4,f=-1.2) USER MOD Single : A 117 HIS : no HD1:sc= -0.0414 X(o=-0.041,f=-0.48) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.389 -14.767 -6.225 1.00 11.41 N ATOM 2 CA MET A 1 2.648 -14.297 -6.842 1.00 53.23 C ATOM 3 C MET A 1 3.820 -14.565 -5.878 1.00 52.35 C ATOM 4 O MET A 1 3.885 -13.975 -4.792 1.00 53.20 O ATOM 5 CB MET A 1 2.542 -12.786 -7.200 1.00 13.02 C ATOM 6 CG MET A 1 1.409 -12.435 -8.200 1.00 22.14 C ATOM 7 SD MET A 1 0.925 -10.683 -8.208 1.00 5.30 S ATOM 8 CE MET A 1 2.454 -9.827 -8.597 1.00 43.33 C ATOM 0 H1 MET A 1 0.704 -15.004 -6.971 1.00 11.41 H new ATOM 0 H2 MET A 1 1.579 -15.612 -5.649 1.00 11.41 H new ATOM 0 H3 MET A 1 0.997 -14.017 -5.621 1.00 11.41 H new ATOM 0 HA MET A 1 2.829 -14.843 -7.768 1.00 53.23 H new ATOM 0 HB2 MET A 1 2.387 -12.219 -6.282 1.00 13.02 H new ATOM 0 HB3 MET A 1 3.493 -12.458 -7.620 1.00 13.02 H new ATOM 0 HG2 MET A 1 1.728 -12.715 -9.204 1.00 22.14 H new ATOM 0 HG3 MET A 1 0.533 -13.040 -7.964 1.00 22.14 H new ATOM 0 HE1 MET A 1 2.272 -8.753 -8.627 1.00 43.33 H new ATOM 0 HE2 MET A 1 3.199 -10.048 -7.833 1.00 43.33 H new ATOM 0 HE3 MET A 1 2.821 -10.160 -9.568 1.00 43.33 H new ATOM 20 N GLN A 2 4.730 -15.467 -6.300 1.00 23.42 N ATOM 21 CA GLN A 2 5.880 -15.936 -5.488 1.00 21.14 C ATOM 22 C GLN A 2 6.964 -14.850 -5.351 1.00 64.32 C ATOM 23 O GLN A 2 7.824 -14.928 -4.468 1.00 61.22 O ATOM 24 CB GLN A 2 6.489 -17.211 -6.142 1.00 41.23 C ATOM 25 CG GLN A 2 7.146 -16.967 -7.523 1.00 20.13 C ATOM 26 CD GLN A 2 7.561 -18.250 -8.239 1.00 22.04 C ATOM 27 OE1 GLN A 2 8.676 -18.739 -8.072 1.00 32.05 O ATOM 28 NE2 GLN A 2 6.668 -18.804 -9.045 1.00 45.24 N ATOM 0 H GLN A 2 4.690 -15.897 -7.224 1.00 23.42 H new ATOM 0 HA GLN A 2 5.516 -16.166 -4.487 1.00 21.14 H new ATOM 0 HB2 GLN A 2 7.235 -17.630 -5.467 1.00 41.23 H new ATOM 0 HB3 GLN A 2 5.704 -17.959 -6.253 1.00 41.23 H new ATOM 0 HG2 GLN A 2 6.449 -16.417 -8.155 1.00 20.13 H new ATOM 0 HG3 GLN A 2 8.024 -16.334 -7.391 1.00 20.13 H new ATOM 0 HE21 GLN A 2 5.751 -18.374 -9.162 1.00 45.24 H new ATOM 0 HE22 GLN A 2 6.898 -19.661 -9.548 1.00 45.24 H new ATOM 37 N ASP A 3 6.921 -13.867 -6.263 1.00 62.53 N ATOM 38 CA ASP A 3 7.889 -12.758 -6.340 1.00 74.30 C ATOM 39 C ASP A 3 7.681 -11.807 -5.156 1.00 23.20 C ATOM 40 O ASP A 3 6.961 -10.837 -5.280 1.00 2.32 O ATOM 41 CB ASP A 3 7.702 -12.001 -7.684 1.00 63.41 C ATOM 42 CG ASP A 3 7.794 -12.920 -8.909 1.00 30.14 C ATOM 43 OD1 ASP A 3 6.810 -13.648 -9.204 1.00 23.05 O ATOM 44 OD2 ASP A 3 8.832 -12.914 -9.593 1.00 15.20 O ATOM 0 H ASP A 3 6.199 -13.818 -6.982 1.00 62.53 H new ATOM 0 HA ASP A 3 8.904 -13.153 -6.295 1.00 74.30 H new ATOM 0 HB2 ASP A 3 6.732 -11.504 -7.682 1.00 63.41 H new ATOM 0 HB3 ASP A 3 8.460 -11.222 -7.764 1.00 63.41 H new ATOM 49 N ILE A 4 8.307 -12.128 -4.015 1.00 14.12 N ATOM 50 CA ILE A 4 8.064 -11.464 -2.708 1.00 43.22 C ATOM 51 C ILE A 4 8.469 -9.965 -2.709 1.00 43.30 C ATOM 52 O ILE A 4 7.721 -9.119 -2.194 1.00 53.24 O ATOM 53 CB ILE A 4 8.803 -12.245 -1.547 1.00 21.14 C ATOM 54 CG1 ILE A 4 8.183 -13.674 -1.340 1.00 71.44 C ATOM 55 CG2 ILE A 4 8.843 -11.447 -0.214 1.00 11.23 C ATOM 56 CD1 ILE A 4 6.702 -13.696 -0.971 1.00 31.01 C ATOM 0 H ILE A 4 9.009 -12.866 -3.964 1.00 14.12 H new ATOM 0 HA ILE A 4 6.989 -11.494 -2.531 1.00 43.22 H new ATOM 0 HB ILE A 4 9.839 -12.366 -1.864 1.00 21.14 H new ATOM 0 HG12 ILE A 4 8.321 -14.248 -2.256 1.00 71.44 H new ATOM 0 HG13 ILE A 4 8.743 -14.185 -0.557 1.00 71.44 H new ATOM 0 HG21 ILE A 4 9.362 -12.032 0.545 1.00 11.23 H new ATOM 0 HG22 ILE A 4 9.370 -10.506 -0.369 1.00 11.23 H new ATOM 0 HG23 ILE A 4 7.825 -11.243 0.118 1.00 11.23 H new ATOM 0 HD11 ILE A 4 6.372 -14.728 -0.851 1.00 31.01 H new ATOM 0 HD12 ILE A 4 6.552 -13.156 -0.036 1.00 31.01 H new ATOM 0 HD13 ILE A 4 6.123 -13.220 -1.762 1.00 31.01 H new ATOM 68 N VAL A 5 9.646 -9.655 -3.295 1.00 65.10 N ATOM 69 CA VAL A 5 10.171 -8.269 -3.401 1.00 2.34 C ATOM 70 C VAL A 5 9.183 -7.403 -4.210 1.00 53.53 C ATOM 71 O VAL A 5 8.712 -6.356 -3.751 1.00 30.44 O ATOM 72 CB VAL A 5 11.591 -8.248 -4.101 1.00 23.23 C ATOM 73 CG1 VAL A 5 12.193 -6.823 -4.147 1.00 22.20 C ATOM 74 CG2 VAL A 5 12.565 -9.230 -3.412 1.00 14.44 C ATOM 0 H VAL A 5 10.261 -10.356 -3.709 1.00 65.10 H new ATOM 0 HA VAL A 5 10.280 -7.866 -2.394 1.00 2.34 H new ATOM 0 HB VAL A 5 11.444 -8.574 -5.131 1.00 23.23 H new ATOM 0 HG11 VAL A 5 13.167 -6.855 -4.635 1.00 22.20 H new ATOM 0 HG12 VAL A 5 11.528 -6.165 -4.706 1.00 22.20 H new ATOM 0 HG13 VAL A 5 12.309 -6.444 -3.132 1.00 22.20 H new ATOM 0 HG21 VAL A 5 13.532 -9.195 -3.913 1.00 14.44 H new ATOM 0 HG22 VAL A 5 12.688 -8.947 -2.366 1.00 14.44 H new ATOM 0 HG23 VAL A 5 12.163 -10.242 -3.470 1.00 14.44 H new ATOM 84 N GLU A 6 8.846 -7.924 -5.398 1.00 44.24 N ATOM 85 CA GLU A 6 7.941 -7.280 -6.361 1.00 24.21 C ATOM 86 C GLU A 6 6.481 -7.274 -5.853 1.00 32.22 C ATOM 87 O GLU A 6 5.705 -6.380 -6.206 1.00 65.42 O ATOM 88 CB GLU A 6 8.068 -8.009 -7.723 1.00 51.24 C ATOM 89 CG GLU A 6 7.198 -7.436 -8.862 1.00 75.24 C ATOM 90 CD GLU A 6 7.444 -8.145 -10.196 1.00 33.23 C ATOM 91 OE1 GLU A 6 8.072 -7.553 -11.105 1.00 34.32 O ATOM 92 OE2 GLU A 6 7.039 -9.314 -10.336 1.00 64.33 O ATOM 0 H GLU A 6 9.202 -8.823 -5.723 1.00 44.24 H new ATOM 0 HA GLU A 6 8.226 -6.235 -6.482 1.00 24.21 H new ATOM 0 HB2 GLU A 6 9.112 -7.980 -8.036 1.00 51.24 H new ATOM 0 HB3 GLU A 6 7.807 -9.058 -7.581 1.00 51.24 H new ATOM 0 HG2 GLU A 6 6.146 -7.528 -8.593 1.00 75.24 H new ATOM 0 HG3 GLU A 6 7.406 -6.372 -8.975 1.00 75.24 H new ATOM 99 N ALA A 7 6.140 -8.254 -4.992 1.00 3.12 N ATOM 100 CA ALA A 7 4.800 -8.387 -4.398 1.00 55.43 C ATOM 101 C ALA A 7 4.527 -7.206 -3.483 1.00 43.22 C ATOM 102 O ALA A 7 3.586 -6.468 -3.705 1.00 22.30 O ATOM 103 CB ALA A 7 4.670 -9.704 -3.619 1.00 74.11 C ATOM 0 H ALA A 7 6.792 -8.978 -4.689 1.00 3.12 H new ATOM 0 HA ALA A 7 4.064 -8.399 -5.202 1.00 55.43 H new ATOM 0 HB1 ALA A 7 3.670 -9.776 -3.191 1.00 74.11 H new ATOM 0 HB2 ALA A 7 4.837 -10.544 -4.293 1.00 74.11 H new ATOM 0 HB3 ALA A 7 5.410 -9.728 -2.819 1.00 74.11 H new ATOM 109 N ALA A 8 5.408 -7.027 -2.491 1.00 30.02 N ATOM 110 CA ALA A 8 5.308 -5.950 -1.498 1.00 63.10 C ATOM 111 C ALA A 8 5.374 -4.555 -2.154 1.00 55.50 C ATOM 112 O ALA A 8 4.702 -3.621 -1.702 1.00 65.41 O ATOM 113 CB ALA A 8 6.415 -6.119 -0.461 1.00 42.04 C ATOM 0 H ALA A 8 6.218 -7.631 -2.354 1.00 30.02 H new ATOM 0 HA ALA A 8 4.337 -6.020 -1.008 1.00 63.10 H new ATOM 0 HB1 ALA A 8 6.345 -5.322 0.279 1.00 42.04 H new ATOM 0 HB2 ALA A 8 6.306 -7.084 0.034 1.00 42.04 H new ATOM 0 HB3 ALA A 8 7.386 -6.072 -0.954 1.00 42.04 H new ATOM 119 N LYS A 9 6.185 -4.445 -3.223 1.00 2.44 N ATOM 120 CA LYS A 9 6.313 -3.224 -4.036 1.00 60.11 C ATOM 121 C LYS A 9 4.946 -2.819 -4.632 1.00 33.45 C ATOM 122 O LYS A 9 4.433 -1.733 -4.346 1.00 35.25 O ATOM 123 CB LYS A 9 7.356 -3.463 -5.162 1.00 33.11 C ATOM 124 CG LYS A 9 7.504 -2.304 -6.174 1.00 0.45 C ATOM 125 CD LYS A 9 8.526 -2.629 -7.289 1.00 35.44 C ATOM 126 CE LYS A 9 8.583 -1.537 -8.370 1.00 23.22 C ATOM 127 NZ LYS A 9 7.288 -1.391 -9.089 1.00 24.23 N ATOM 0 H LYS A 9 6.775 -5.210 -3.549 1.00 2.44 H new ATOM 0 HA LYS A 9 6.654 -2.405 -3.402 1.00 60.11 H new ATOM 0 HB2 LYS A 9 8.327 -3.651 -4.703 1.00 33.11 H new ATOM 0 HB3 LYS A 9 7.080 -4.367 -5.706 1.00 33.11 H new ATOM 0 HG2 LYS A 9 6.534 -2.090 -6.623 1.00 0.45 H new ATOM 0 HG3 LYS A 9 7.817 -1.402 -5.648 1.00 0.45 H new ATOM 0 HD2 LYS A 9 9.515 -2.751 -6.847 1.00 35.44 H new ATOM 0 HD3 LYS A 9 8.264 -3.581 -7.752 1.00 35.44 H new ATOM 0 HE2 LYS A 9 8.851 -0.586 -7.910 1.00 23.22 H new ATOM 0 HE3 LYS A 9 9.369 -1.777 -9.086 1.00 23.22 H new ATOM 0 HZ1 LYS A 9 7.469 -1.206 -10.096 1.00 24.23 H new ATOM 0 HZ2 LYS A 9 6.736 -2.267 -8.992 1.00 24.23 H new ATOM 0 HZ3 LYS A 9 6.752 -0.598 -8.682 1.00 24.23 H new ATOM 141 N GLN A 10 4.355 -3.740 -5.417 1.00 55.34 N ATOM 142 CA GLN A 10 3.068 -3.524 -6.107 1.00 74.42 C ATOM 143 C GLN A 10 1.890 -3.476 -5.113 1.00 75.31 C ATOM 144 O GLN A 10 0.840 -2.911 -5.426 1.00 1.13 O ATOM 145 CB GLN A 10 2.845 -4.636 -7.171 1.00 71.31 C ATOM 146 CG GLN A 10 3.869 -4.615 -8.328 1.00 1.51 C ATOM 147 CD GLN A 10 3.858 -3.315 -9.148 1.00 72.54 C ATOM 148 OE1 GLN A 10 4.899 -2.853 -9.620 1.00 32.33 O ATOM 149 NE2 GLN A 10 2.682 -2.742 -9.378 1.00 25.21 N ATOM 0 H GLN A 10 4.759 -4.660 -5.591 1.00 55.34 H new ATOM 0 HA GLN A 10 3.109 -2.556 -6.606 1.00 74.42 H new ATOM 0 HB2 GLN A 10 2.888 -5.608 -6.680 1.00 71.31 H new ATOM 0 HB3 GLN A 10 1.842 -4.532 -7.585 1.00 71.31 H new ATOM 0 HG2 GLN A 10 4.868 -4.766 -7.919 1.00 1.51 H new ATOM 0 HG3 GLN A 10 3.667 -5.454 -8.994 1.00 1.51 H new ATOM 0 HE21 GLN A 10 1.833 -3.141 -8.977 1.00 25.21 H new ATOM 0 HE22 GLN A 10 2.628 -1.903 -9.955 1.00 25.21 H new ATOM 158 N ALA A 11 2.092 -4.070 -3.928 1.00 40.23 N ATOM 159 CA ALA A 11 1.109 -4.092 -2.845 1.00 51.01 C ATOM 160 C ALA A 11 0.936 -2.704 -2.253 1.00 60.32 C ATOM 161 O ALA A 11 -0.187 -2.266 -2.034 1.00 71.01 O ATOM 162 CB ALA A 11 1.541 -5.073 -1.752 1.00 41.52 C ATOM 0 H ALA A 11 2.958 -4.555 -3.695 1.00 40.23 H new ATOM 0 HA ALA A 11 0.155 -4.419 -3.258 1.00 51.01 H new ATOM 0 HB1 ALA A 11 0.799 -5.078 -0.953 1.00 41.52 H new ATOM 0 HB2 ALA A 11 1.626 -6.074 -2.174 1.00 41.52 H new ATOM 0 HB3 ALA A 11 2.506 -4.766 -1.349 1.00 41.52 H new ATOM 168 N ALA A 12 2.075 -2.029 -2.007 1.00 4.33 N ATOM 169 CA ALA A 12 2.104 -0.665 -1.470 1.00 34.53 C ATOM 170 C ALA A 12 1.360 0.299 -2.401 1.00 74.45 C ATOM 171 O ALA A 12 0.501 1.064 -1.955 1.00 31.23 O ATOM 172 CB ALA A 12 3.552 -0.211 -1.254 1.00 62.35 C ATOM 0 H ALA A 12 3.001 -2.420 -2.177 1.00 4.33 H new ATOM 0 HA ALA A 12 1.595 -0.659 -0.506 1.00 34.53 H new ATOM 0 HB1 ALA A 12 3.560 0.803 -0.855 1.00 62.35 H new ATOM 0 HB2 ALA A 12 4.042 -0.882 -0.549 1.00 62.35 H new ATOM 0 HB3 ALA A 12 4.085 -0.231 -2.204 1.00 62.35 H new ATOM 178 N ILE A 13 1.669 0.180 -3.706 1.00 33.33 N ATOM 179 CA ILE A 13 1.062 0.991 -4.774 1.00 73.04 C ATOM 180 C ILE A 13 -0.469 0.746 -4.827 1.00 54.12 C ATOM 181 O ILE A 13 -1.253 1.690 -4.930 1.00 62.14 O ATOM 182 CB ILE A 13 1.711 0.645 -6.173 1.00 71.22 C ATOM 183 CG1 ILE A 13 3.271 0.699 -6.093 1.00 64.24 C ATOM 184 CG2 ILE A 13 1.187 1.585 -7.286 1.00 42.30 C ATOM 185 CD1 ILE A 13 3.992 0.170 -7.326 1.00 24.32 C ATOM 0 H ILE A 13 2.356 -0.491 -4.051 1.00 33.33 H new ATOM 0 HA ILE A 13 1.248 2.042 -4.554 1.00 73.04 H new ATOM 0 HB ILE A 13 1.417 -0.373 -6.430 1.00 71.22 H new ATOM 0 HG12 ILE A 13 3.577 1.732 -5.926 1.00 64.24 H new ATOM 0 HG13 ILE A 13 3.596 0.126 -5.225 1.00 64.24 H new ATOM 0 HG21 ILE A 13 1.653 1.320 -8.235 1.00 42.30 H new ATOM 0 HG22 ILE A 13 0.105 1.480 -7.371 1.00 42.30 H new ATOM 0 HG23 ILE A 13 1.433 2.617 -7.036 1.00 42.30 H new ATOM 0 HD11 ILE A 13 5.069 0.247 -7.179 1.00 24.32 H new ATOM 0 HD12 ILE A 13 3.722 -0.874 -7.486 1.00 24.32 H new ATOM 0 HD13 ILE A 13 3.702 0.757 -8.197 1.00 24.32 H new ATOM 197 N ALA A 14 -0.859 -0.539 -4.694 1.00 70.42 N ATOM 198 CA ALA A 14 -2.261 -0.995 -4.792 1.00 54.41 C ATOM 199 C ALA A 14 -3.109 -0.569 -3.578 1.00 32.43 C ATOM 200 O ALA A 14 -4.309 -0.322 -3.720 1.00 62.41 O ATOM 201 CB ALA A 14 -2.293 -2.515 -4.954 1.00 44.44 C ATOM 0 H ALA A 14 -0.201 -1.298 -4.513 1.00 70.42 H new ATOM 0 HA ALA A 14 -2.702 -0.517 -5.666 1.00 54.41 H new ATOM 0 HB1 ALA A 14 -3.327 -2.852 -5.026 1.00 44.44 H new ATOM 0 HB2 ALA A 14 -1.756 -2.796 -5.860 1.00 44.44 H new ATOM 0 HB3 ALA A 14 -1.819 -2.983 -4.091 1.00 44.44 H new ATOM 207 N ILE A 15 -2.470 -0.504 -2.394 1.00 41.44 N ATOM 208 CA ILE A 15 -3.100 -0.020 -1.153 1.00 23.44 C ATOM 209 C ILE A 15 -3.496 1.462 -1.311 1.00 41.13 C ATOM 210 O ILE A 15 -4.607 1.860 -0.940 1.00 42.42 O ATOM 211 CB ILE A 15 -2.139 -0.252 0.091 1.00 13.21 C ATOM 212 CG1 ILE A 15 -2.091 -1.777 0.453 1.00 5.11 C ATOM 213 CG2 ILE A 15 -2.529 0.604 1.325 1.00 54.24 C ATOM 214 CD1 ILE A 15 -1.176 -2.143 1.612 1.00 3.44 C ATOM 0 H ILE A 15 -1.498 -0.787 -2.272 1.00 41.44 H new ATOM 0 HA ILE A 15 -4.009 -0.590 -0.963 1.00 23.44 H new ATOM 0 HB ILE A 15 -1.143 0.080 -0.202 1.00 13.21 H new ATOM 0 HG12 ILE A 15 -3.102 -2.109 0.691 1.00 5.11 H new ATOM 0 HG13 ILE A 15 -1.773 -2.333 -0.429 1.00 5.11 H new ATOM 0 HG21 ILE A 15 -1.836 0.402 2.142 1.00 54.24 H new ATOM 0 HG22 ILE A 15 -2.483 1.661 1.064 1.00 54.24 H new ATOM 0 HG23 ILE A 15 -3.542 0.351 1.638 1.00 54.24 H new ATOM 0 HD11 ILE A 15 -1.215 -3.219 1.781 1.00 3.44 H new ATOM 0 HD12 ILE A 15 -0.153 -1.850 1.375 1.00 3.44 H new ATOM 0 HD13 ILE A 15 -1.503 -1.622 2.512 1.00 3.44 H new ATOM 226 N PHE A 16 -2.589 2.247 -1.919 1.00 1.50 N ATOM 227 CA PHE A 16 -2.833 3.667 -2.224 1.00 72.04 C ATOM 228 C PHE A 16 -3.875 3.833 -3.336 1.00 2.40 C ATOM 229 O PHE A 16 -4.693 4.750 -3.272 1.00 53.34 O ATOM 230 CB PHE A 16 -1.515 4.376 -2.610 1.00 73.43 C ATOM 231 CG PHE A 16 -0.536 4.487 -1.453 1.00 24.15 C ATOM 232 CD1 PHE A 16 -0.947 5.021 -0.231 1.00 22.43 C ATOM 233 CD2 PHE A 16 0.778 4.063 -1.577 1.00 74.31 C ATOM 234 CE1 PHE A 16 -0.072 5.123 0.824 1.00 15.42 C ATOM 235 CE2 PHE A 16 1.647 4.166 -0.522 1.00 24.12 C ATOM 236 CZ PHE A 16 1.222 4.695 0.676 1.00 32.01 C ATOM 0 H PHE A 16 -1.670 1.916 -2.212 1.00 1.50 H new ATOM 0 HA PHE A 16 -3.231 4.133 -1.322 1.00 72.04 H new ATOM 0 HB2 PHE A 16 -1.042 3.831 -3.427 1.00 73.43 H new ATOM 0 HB3 PHE A 16 -1.742 5.375 -2.983 1.00 73.43 H new ATOM 0 HD1 PHE A 16 -1.966 5.359 -0.113 1.00 22.43 H new ATOM 0 HD2 PHE A 16 1.120 3.648 -2.513 1.00 74.31 H new ATOM 0 HE1 PHE A 16 -0.402 5.538 1.765 1.00 15.42 H new ATOM 0 HE2 PHE A 16 2.668 3.831 -0.631 1.00 24.12 H new ATOM 0 HZ PHE A 16 1.912 4.773 1.503 1.00 32.01 H new ATOM 246 N GLN A 17 -3.840 2.926 -4.338 1.00 23.42 N ATOM 247 CA GLN A 17 -4.798 2.925 -5.460 1.00 51.13 C ATOM 248 C GLN A 17 -6.228 2.715 -4.957 1.00 74.30 C ATOM 249 O GLN A 17 -7.148 3.343 -5.467 1.00 23.33 O ATOM 250 CB GLN A 17 -4.435 1.852 -6.520 1.00 14.21 C ATOM 251 CG GLN A 17 -3.276 2.251 -7.454 1.00 63.22 C ATOM 252 CD GLN A 17 -2.911 1.158 -8.457 1.00 75.12 C ATOM 253 OE1 GLN A 17 -3.741 0.331 -8.829 1.00 61.10 O ATOM 254 NE2 GLN A 17 -1.686 1.180 -8.948 1.00 11.40 N ATOM 0 H GLN A 17 -3.149 2.178 -4.389 1.00 23.42 H new ATOM 0 HA GLN A 17 -4.738 3.902 -5.939 1.00 51.13 H new ATOM 0 HB2 GLN A 17 -4.172 0.927 -6.008 1.00 14.21 H new ATOM 0 HB3 GLN A 17 -5.317 1.642 -7.124 1.00 14.21 H new ATOM 0 HG2 GLN A 17 -3.549 3.156 -7.996 1.00 63.22 H new ATOM 0 HG3 GLN A 17 -2.399 2.492 -6.853 1.00 63.22 H new ATOM 0 HE21 GLN A 17 -1.018 1.878 -8.621 1.00 11.40 H new ATOM 0 HE22 GLN A 17 -1.408 0.499 -9.655 1.00 11.40 H new ATOM 263 N LEU A 18 -6.393 1.842 -3.943 1.00 54.44 N ATOM 264 CA LEU A 18 -7.692 1.632 -3.286 1.00 14.14 C ATOM 265 C LEU A 18 -8.082 2.870 -2.453 1.00 34.31 C ATOM 266 O LEU A 18 -9.232 3.284 -2.476 1.00 12.22 O ATOM 267 CB LEU A 18 -7.686 0.341 -2.412 1.00 54.12 C ATOM 268 CG LEU A 18 -7.563 -1.018 -3.186 1.00 72.11 C ATOM 269 CD1 LEU A 18 -7.588 -2.222 -2.220 1.00 70.44 C ATOM 270 CD2 LEU A 18 -8.656 -1.156 -4.275 1.00 70.33 C ATOM 0 H LEU A 18 -5.638 1.271 -3.563 1.00 54.44 H new ATOM 0 HA LEU A 18 -8.445 1.493 -4.062 1.00 14.14 H new ATOM 0 HB2 LEU A 18 -6.859 0.409 -1.706 1.00 54.12 H new ATOM 0 HB3 LEU A 18 -8.605 0.320 -1.826 1.00 54.12 H new ATOM 0 HG LEU A 18 -6.596 -1.015 -3.689 1.00 72.11 H new ATOM 0 HD11 LEU A 18 -7.501 -3.147 -2.790 1.00 70.44 H new ATOM 0 HD12 LEU A 18 -6.754 -2.146 -1.522 1.00 70.44 H new ATOM 0 HD13 LEU A 18 -8.526 -2.224 -1.666 1.00 70.44 H new ATOM 0 HD21 LEU A 18 -8.538 -2.110 -4.790 1.00 70.33 H new ATOM 0 HD22 LEU A 18 -9.641 -1.114 -3.810 1.00 70.33 H new ATOM 0 HD23 LEU A 18 -8.559 -0.342 -4.993 1.00 70.33 H new ATOM 282 N TRP A 19 -7.107 3.480 -1.750 1.00 44.11 N ATOM 283 CA TRP A 19 -7.359 4.662 -0.882 1.00 50.22 C ATOM 284 C TRP A 19 -7.818 5.910 -1.680 1.00 4.25 C ATOM 285 O TRP A 19 -8.586 6.732 -1.164 1.00 62.24 O ATOM 286 CB TRP A 19 -6.111 4.985 -0.011 1.00 33.11 C ATOM 287 CG TRP A 19 -5.870 4.043 1.150 1.00 32.14 C ATOM 288 CD1 TRP A 19 -6.665 3.013 1.568 1.00 1.03 C ATOM 289 CD2 TRP A 19 -4.759 4.080 2.062 1.00 24.05 C ATOM 290 NE1 TRP A 19 -6.116 2.407 2.669 1.00 23.11 N ATOM 291 CE2 TRP A 19 -4.948 3.041 2.992 1.00 10.32 C ATOM 292 CE3 TRP A 19 -3.625 4.890 2.178 1.00 54.52 C ATOM 293 CZ2 TRP A 19 -4.046 2.789 4.022 1.00 53.24 C ATOM 294 CZ3 TRP A 19 -2.727 4.640 3.199 1.00 74.42 C ATOM 295 CH2 TRP A 19 -2.943 3.598 4.110 1.00 32.32 C ATOM 0 H TRP A 19 -6.133 3.177 -1.762 1.00 44.11 H new ATOM 0 HA TRP A 19 -8.186 4.395 -0.224 1.00 50.22 H new ATOM 0 HB2 TRP A 19 -5.229 4.978 -0.652 1.00 33.11 H new ATOM 0 HB3 TRP A 19 -6.213 5.998 0.379 1.00 33.11 H new ATOM 0 HD1 TRP A 19 -7.592 2.719 1.099 1.00 1.03 H new ATOM 0 HE1 TRP A 19 -6.515 1.611 3.167 1.00 23.11 H new ATOM 0 HE3 TRP A 19 -3.454 5.697 1.482 1.00 54.52 H new ATOM 0 HZ2 TRP A 19 -4.209 1.986 4.726 1.00 53.24 H new ATOM 0 HZ3 TRP A 19 -1.846 5.257 3.296 1.00 74.42 H new ATOM 0 HH2 TRP A 19 -2.225 3.428 4.899 1.00 32.32 H new ATOM 306 N LYS A 20 -7.348 6.037 -2.934 1.00 72.14 N ATOM 307 CA LYS A 20 -7.707 7.171 -3.822 1.00 62.21 C ATOM 308 C LYS A 20 -8.833 6.786 -4.806 1.00 23.33 C ATOM 309 O LYS A 20 -9.512 7.666 -5.352 1.00 13.45 O ATOM 310 CB LYS A 20 -6.447 7.658 -4.589 1.00 42.20 C ATOM 311 CG LYS A 20 -5.822 6.613 -5.551 1.00 21.51 C ATOM 312 CD LYS A 20 -4.372 6.962 -5.968 1.00 54.25 C ATOM 313 CE LYS A 20 -4.262 8.317 -6.689 1.00 51.25 C ATOM 314 NZ LYS A 20 -4.941 8.308 -8.011 1.00 60.21 N ATOM 0 H LYS A 20 -6.713 5.364 -3.363 1.00 72.14 H new ATOM 0 HA LYS A 20 -8.084 7.985 -3.202 1.00 62.21 H new ATOM 0 HB2 LYS A 20 -6.710 8.547 -5.163 1.00 42.20 H new ATOM 0 HB3 LYS A 20 -5.692 7.959 -3.863 1.00 42.20 H new ATOM 0 HG2 LYS A 20 -5.830 5.635 -5.070 1.00 21.51 H new ATOM 0 HG3 LYS A 20 -6.442 6.534 -6.444 1.00 21.51 H new ATOM 0 HD2 LYS A 20 -3.739 6.976 -5.081 1.00 54.25 H new ATOM 0 HD3 LYS A 20 -3.989 6.178 -6.621 1.00 54.25 H new ATOM 0 HE2 LYS A 20 -4.699 9.096 -6.064 1.00 51.25 H new ATOM 0 HE3 LYS A 20 -3.210 8.570 -6.825 1.00 51.25 H new ATOM 0 HZ1 LYS A 20 -4.841 9.241 -8.459 1.00 60.21 H new ATOM 0 HZ2 LYS A 20 -4.508 7.584 -8.619 1.00 60.21 H new ATOM 0 HZ3 LYS A 20 -5.950 8.093 -7.881 1.00 60.21 H new ATOM 328 N ASN A 21 -9.007 5.475 -5.026 1.00 44.15 N ATOM 329 CA ASN A 21 -10.023 4.923 -5.951 1.00 72.41 C ATOM 330 C ASN A 21 -10.350 3.467 -5.524 1.00 55.12 C ATOM 331 O ASN A 21 -9.726 2.524 -6.022 1.00 20.34 O ATOM 332 CB ASN A 21 -9.483 4.974 -7.416 1.00 41.55 C ATOM 333 CG ASN A 21 -10.509 4.547 -8.475 1.00 60.24 C ATOM 334 OD1 ASN A 21 -11.236 5.372 -9.028 1.00 63.45 O ATOM 335 ND2 ASN A 21 -10.576 3.261 -8.767 1.00 2.11 N ATOM 0 H ASN A 21 -8.446 4.758 -4.567 1.00 44.15 H new ATOM 0 HA ASN A 21 -10.937 5.516 -5.909 1.00 72.41 H new ATOM 0 HB2 ASN A 21 -9.151 5.989 -7.635 1.00 41.55 H new ATOM 0 HB3 ASN A 21 -8.608 4.329 -7.492 1.00 41.55 H new ATOM 0 HD21 ASN A 21 -11.242 2.931 -9.466 1.00 2.11 H new ATOM 0 HD22 ASN A 21 -9.962 2.598 -8.294 1.00 2.11 H new ATOM 342 N PRO A 22 -11.300 3.257 -4.544 1.00 52.12 N ATOM 343 CA PRO A 22 -11.592 1.900 -3.987 1.00 51.10 C ATOM 344 C PRO A 22 -12.141 0.915 -5.038 1.00 34.25 C ATOM 345 O PRO A 22 -12.052 -0.306 -4.858 1.00 15.42 O ATOM 346 CB PRO A 22 -12.618 2.175 -2.847 1.00 50.21 C ATOM 347 CG PRO A 22 -13.199 3.529 -3.146 1.00 34.22 C ATOM 348 CD PRO A 22 -12.128 4.312 -3.893 1.00 11.03 C ATOM 0 HA PRO A 22 -10.687 1.409 -3.631 1.00 51.10 H new ATOM 0 HB2 PRO A 22 -13.395 1.411 -2.826 1.00 50.21 H new ATOM 0 HB3 PRO A 22 -12.133 2.163 -1.871 1.00 50.21 H new ATOM 0 HG2 PRO A 22 -14.102 3.437 -3.749 1.00 34.22 H new ATOM 0 HG3 PRO A 22 -13.481 4.041 -2.226 1.00 34.22 H new ATOM 0 HD2 PRO A 22 -12.566 4.986 -4.629 1.00 11.03 H new ATOM 0 HD3 PRO A 22 -11.534 4.924 -3.214 1.00 11.03 H new ATOM 356 N THR A 23 -12.666 1.467 -6.144 1.00 73.51 N ATOM 357 CA THR A 23 -13.244 0.686 -7.252 1.00 54.30 C ATOM 358 C THR A 23 -12.168 0.133 -8.215 1.00 23.24 C ATOM 359 O THR A 23 -12.523 -0.503 -9.212 1.00 44.21 O ATOM 360 CB THR A 23 -14.259 1.566 -8.060 1.00 21.13 C ATOM 361 OG1 THR A 23 -13.596 2.740 -8.556 1.00 43.31 O ATOM 362 CG2 THR A 23 -15.465 1.989 -7.206 1.00 64.44 C ATOM 0 H THR A 23 -12.702 2.475 -6.296 1.00 73.51 H new ATOM 0 HA THR A 23 -13.755 -0.166 -6.804 1.00 54.30 H new ATOM 0 HB THR A 23 -14.629 0.961 -8.887 1.00 21.13 H new ATOM 0 HG1 THR A 23 -14.233 3.286 -9.062 1.00 43.31 H new ATOM 0 HG21 THR A 23 -16.141 2.597 -7.807 1.00 64.44 H new ATOM 0 HG22 THR A 23 -15.991 1.101 -6.854 1.00 64.44 H new ATOM 0 HG23 THR A 23 -15.119 2.569 -6.350 1.00 64.44 H new ATOM 370 N ASP A 24 -10.864 0.372 -7.920 1.00 12.22 N ATOM 371 CA ASP A 24 -9.747 -0.070 -8.791 1.00 43.03 C ATOM 372 C ASP A 24 -9.683 -1.618 -8.816 1.00 42.14 C ATOM 373 O ASP A 24 -9.366 -2.236 -7.782 1.00 73.05 O ATOM 374 CB ASP A 24 -8.386 0.530 -8.315 1.00 65.23 C ATOM 375 CG ASP A 24 -7.275 0.421 -9.384 1.00 61.23 C ATOM 376 OD1 ASP A 24 -6.821 -0.705 -9.684 1.00 42.43 O ATOM 377 OD2 ASP A 24 -6.874 1.456 -9.956 1.00 65.20 O ATOM 0 H ASP A 24 -10.561 0.870 -7.083 1.00 12.22 H new ATOM 0 HA ASP A 24 -9.932 0.296 -9.801 1.00 43.03 H new ATOM 0 HB2 ASP A 24 -8.529 1.578 -8.052 1.00 65.23 H new ATOM 0 HB3 ASP A 24 -8.064 0.015 -7.410 1.00 65.23 H new ATOM 382 N PRO A 25 -10.004 -2.272 -9.986 1.00 70.31 N ATOM 383 CA PRO A 25 -10.105 -3.746 -10.067 1.00 1.01 C ATOM 384 C PRO A 25 -8.729 -4.440 -10.035 1.00 43.14 C ATOM 385 O PRO A 25 -8.606 -5.543 -9.499 1.00 13.02 O ATOM 386 CB PRO A 25 -10.843 -3.970 -11.413 1.00 61.12 C ATOM 387 CG PRO A 25 -10.438 -2.802 -12.268 1.00 25.34 C ATOM 388 CD PRO A 25 -10.286 -1.628 -11.310 1.00 64.34 C ATOM 0 HA PRO A 25 -10.628 -4.178 -9.214 1.00 1.01 H new ATOM 0 HB2 PRO A 25 -10.553 -4.916 -11.871 1.00 61.12 H new ATOM 0 HB3 PRO A 25 -11.923 -4.002 -11.272 1.00 61.12 H new ATOM 0 HG2 PRO A 25 -9.504 -3.005 -12.792 1.00 25.34 H new ATOM 0 HG3 PRO A 25 -11.191 -2.593 -13.028 1.00 25.34 H new ATOM 0 HD2 PRO A 25 -9.473 -0.968 -11.614 1.00 64.34 H new ATOM 0 HD3 PRO A 25 -11.192 -1.023 -11.274 1.00 64.34 H new ATOM 396 N GLU A 26 -7.700 -3.764 -10.582 1.00 40.21 N ATOM 397 CA GLU A 26 -6.340 -4.318 -10.703 1.00 74.41 C ATOM 398 C GLU A 26 -5.642 -4.365 -9.335 1.00 52.22 C ATOM 399 O GLU A 26 -4.945 -5.336 -9.015 1.00 15.44 O ATOM 400 CB GLU A 26 -5.509 -3.464 -11.697 1.00 44.01 C ATOM 401 CG GLU A 26 -6.112 -3.350 -13.113 1.00 31.42 C ATOM 402 CD GLU A 26 -6.297 -4.707 -13.814 1.00 20.30 C ATOM 403 OE1 GLU A 26 -5.305 -5.248 -14.360 1.00 64.41 O ATOM 404 OE2 GLU A 26 -7.428 -5.244 -13.818 1.00 2.34 O ATOM 0 H GLU A 26 -7.790 -2.818 -10.952 1.00 40.21 H new ATOM 0 HA GLU A 26 -6.416 -5.338 -11.081 1.00 74.41 H new ATOM 0 HB2 GLU A 26 -5.394 -2.462 -11.285 1.00 44.01 H new ATOM 0 HB3 GLU A 26 -4.510 -3.893 -11.776 1.00 44.01 H new ATOM 0 HG2 GLU A 26 -7.078 -2.849 -13.048 1.00 31.42 H new ATOM 0 HG3 GLU A 26 -5.466 -2.720 -13.724 1.00 31.42 H new ATOM 411 N ALA A 27 -5.868 -3.303 -8.538 1.00 43.51 N ATOM 412 CA ALA A 27 -5.254 -3.119 -7.219 1.00 61.52 C ATOM 413 C ALA A 27 -5.673 -4.236 -6.260 1.00 4.41 C ATOM 414 O ALA A 27 -4.824 -4.955 -5.726 1.00 1.11 O ATOM 415 CB ALA A 27 -5.639 -1.744 -6.655 1.00 72.45 C ATOM 0 H ALA A 27 -6.492 -2.540 -8.801 1.00 43.51 H new ATOM 0 HA ALA A 27 -4.170 -3.165 -7.328 1.00 61.52 H new ATOM 0 HB1 ALA A 27 -5.181 -1.611 -5.675 1.00 72.45 H new ATOM 0 HB2 ALA A 27 -5.287 -0.963 -7.329 1.00 72.45 H new ATOM 0 HB3 ALA A 27 -6.723 -1.680 -6.560 1.00 72.45 H new ATOM 421 N GLN A 28 -7.000 -4.391 -6.085 1.00 43.44 N ATOM 422 CA GLN A 28 -7.577 -5.401 -5.184 1.00 30.53 C ATOM 423 C GLN A 28 -7.275 -6.839 -5.682 1.00 71.13 C ATOM 424 O GLN A 28 -7.077 -7.736 -4.863 1.00 62.41 O ATOM 425 CB GLN A 28 -9.101 -5.162 -5.013 1.00 11.30 C ATOM 426 CG GLN A 28 -9.931 -5.286 -6.308 1.00 45.11 C ATOM 427 CD GLN A 28 -11.401 -4.907 -6.112 1.00 54.22 C ATOM 428 OE1 GLN A 28 -12.233 -5.752 -5.778 1.00 34.24 O ATOM 429 NE2 GLN A 28 -11.737 -3.637 -6.328 1.00 34.35 N ATOM 0 H GLN A 28 -7.697 -3.821 -6.563 1.00 43.44 H new ATOM 0 HA GLN A 28 -7.107 -5.298 -4.206 1.00 30.53 H new ATOM 0 HB2 GLN A 28 -9.485 -5.875 -4.283 1.00 11.30 H new ATOM 0 HB3 GLN A 28 -9.253 -4.166 -4.596 1.00 11.30 H new ATOM 0 HG2 GLN A 28 -9.495 -4.646 -7.075 1.00 45.11 H new ATOM 0 HG3 GLN A 28 -9.871 -6.310 -6.675 1.00 45.11 H new ATOM 0 HE21 GLN A 28 -11.025 -2.961 -6.604 1.00 34.35 H new ATOM 0 HE22 GLN A 28 -12.707 -3.340 -6.218 1.00 34.35 H new ATOM 438 N GLU A 29 -7.200 -7.023 -7.029 1.00 72.44 N ATOM 439 CA GLU A 29 -6.937 -8.339 -7.663 1.00 64.13 C ATOM 440 C GLU A 29 -5.564 -8.887 -7.259 1.00 43.52 C ATOM 441 O GLU A 29 -5.478 -9.988 -6.702 1.00 42.40 O ATOM 442 CB GLU A 29 -7.029 -8.244 -9.213 1.00 34.33 C ATOM 443 CG GLU A 29 -6.780 -9.584 -9.943 1.00 0.42 C ATOM 444 CD GLU A 29 -6.806 -9.465 -11.471 1.00 21.42 C ATOM 445 OE1 GLU A 29 -7.907 -9.432 -12.054 1.00 21.11 O ATOM 446 OE2 GLU A 29 -5.729 -9.413 -12.105 1.00 3.30 O ATOM 0 H GLU A 29 -7.320 -6.265 -7.700 1.00 72.44 H new ATOM 0 HA GLU A 29 -7.705 -9.026 -7.307 1.00 64.13 H new ATOM 0 HB2 GLU A 29 -8.017 -7.872 -9.486 1.00 34.33 H new ATOM 0 HB3 GLU A 29 -6.304 -7.510 -9.565 1.00 34.33 H new ATOM 0 HG2 GLU A 29 -5.813 -9.982 -9.634 1.00 0.42 H new ATOM 0 HG3 GLU A 29 -7.536 -10.304 -9.630 1.00 0.42 H new ATOM 453 N LEU A 30 -4.501 -8.093 -7.523 1.00 64.10 N ATOM 454 CA LEU A 30 -3.120 -8.505 -7.236 1.00 14.24 C ATOM 455 C LEU A 30 -2.922 -8.720 -5.726 1.00 31.30 C ATOM 456 O LEU A 30 -2.170 -9.603 -5.319 1.00 35.11 O ATOM 457 CB LEU A 30 -2.086 -7.503 -7.861 1.00 74.11 C ATOM 458 CG LEU A 30 -2.050 -6.006 -7.351 1.00 23.14 C ATOM 459 CD1 LEU A 30 -1.251 -5.836 -6.044 1.00 20.13 C ATOM 460 CD2 LEU A 30 -1.492 -5.059 -8.433 1.00 11.15 C ATOM 0 H LEU A 30 -4.580 -7.163 -7.935 1.00 64.10 H new ATOM 0 HA LEU A 30 -2.932 -9.466 -7.715 1.00 14.24 H new ATOM 0 HB2 LEU A 30 -1.092 -7.924 -7.712 1.00 74.11 H new ATOM 0 HB3 LEU A 30 -2.263 -7.478 -8.936 1.00 74.11 H new ATOM 0 HG LEU A 30 -3.085 -5.738 -7.139 1.00 23.14 H new ATOM 0 HD11 LEU A 30 -1.262 -4.788 -5.744 1.00 20.13 H new ATOM 0 HD12 LEU A 30 -1.703 -6.443 -5.259 1.00 20.13 H new ATOM 0 HD13 LEU A 30 -0.221 -6.157 -6.203 1.00 20.13 H new ATOM 0 HD21 LEU A 30 -1.480 -4.038 -8.052 1.00 11.15 H new ATOM 0 HD22 LEU A 30 -0.477 -5.361 -8.693 1.00 11.15 H new ATOM 0 HD23 LEU A 30 -2.124 -5.108 -9.320 1.00 11.15 H new ATOM 472 N LEU A 31 -3.664 -7.935 -4.914 1.00 24.30 N ATOM 473 CA LEU A 31 -3.640 -8.031 -3.445 1.00 50.20 C ATOM 474 C LEU A 31 -4.234 -9.367 -2.940 1.00 4.11 C ATOM 475 O LEU A 31 -3.884 -9.798 -1.859 1.00 53.01 O ATOM 476 CB LEU A 31 -4.358 -6.810 -2.795 1.00 62.40 C ATOM 477 CG LEU A 31 -3.582 -5.453 -2.828 1.00 10.35 C ATOM 478 CD1 LEU A 31 -4.433 -4.296 -2.263 1.00 71.54 C ATOM 479 CD2 LEU A 31 -2.241 -5.559 -2.077 1.00 24.54 C ATOM 0 H LEU A 31 -4.297 -7.216 -5.264 1.00 24.30 H new ATOM 0 HA LEU A 31 -2.595 -8.013 -3.136 1.00 50.20 H new ATOM 0 HB2 LEU A 31 -5.315 -6.669 -3.297 1.00 62.40 H new ATOM 0 HB3 LEU A 31 -4.576 -7.055 -1.755 1.00 62.40 H new ATOM 0 HG LEU A 31 -3.370 -5.229 -3.874 1.00 10.35 H new ATOM 0 HD11 LEU A 31 -3.860 -3.370 -2.303 1.00 71.54 H new ATOM 0 HD12 LEU A 31 -5.340 -4.187 -2.858 1.00 71.54 H new ATOM 0 HD13 LEU A 31 -4.701 -4.513 -1.229 1.00 71.54 H new ATOM 0 HD21 LEU A 31 -1.725 -4.600 -2.117 1.00 24.54 H new ATOM 0 HD22 LEU A 31 -2.427 -5.828 -1.037 1.00 24.54 H new ATOM 0 HD23 LEU A 31 -1.622 -6.325 -2.544 1.00 24.54 H new ATOM 491 N ASN A 32 -5.138 -10.009 -3.708 1.00 63.22 N ATOM 492 CA ASN A 32 -5.627 -11.382 -3.372 1.00 1.34 C ATOM 493 C ASN A 32 -4.551 -12.432 -3.697 1.00 60.33 C ATOM 494 O ASN A 32 -4.508 -13.508 -3.098 1.00 61.15 O ATOM 495 CB ASN A 32 -6.943 -11.743 -4.125 1.00 44.41 C ATOM 496 CG ASN A 32 -8.176 -11.013 -3.588 1.00 1.33 C ATOM 497 OD1 ASN A 32 -8.795 -11.454 -2.617 1.00 51.43 O ATOM 498 ND2 ASN A 32 -8.559 -9.916 -4.218 1.00 43.10 N ATOM 0 H ASN A 32 -5.546 -9.614 -4.556 1.00 63.22 H new ATOM 0 HA ASN A 32 -5.839 -11.386 -2.303 1.00 1.34 H new ATOM 0 HB2 ASN A 32 -6.823 -11.507 -5.182 1.00 44.41 H new ATOM 0 HB3 ASN A 32 -7.109 -12.818 -4.055 1.00 44.41 H new ATOM 0 HD21 ASN A 32 -9.387 -9.410 -3.904 1.00 43.10 H new ATOM 0 HD22 ASN A 32 -8.027 -9.575 -5.018 1.00 43.10 H new ATOM 505 N LYS A 33 -3.690 -12.091 -4.661 1.00 74.30 N ATOM 506 CA LYS A 33 -2.652 -12.988 -5.193 1.00 74.02 C ATOM 507 C LYS A 33 -1.332 -12.859 -4.401 1.00 63.55 C ATOM 508 O LYS A 33 -0.471 -13.729 -4.511 1.00 11.43 O ATOM 509 CB LYS A 33 -2.459 -12.651 -6.703 1.00 53.05 C ATOM 510 CG LYS A 33 -3.772 -12.788 -7.520 1.00 1.32 C ATOM 511 CD LYS A 33 -3.709 -12.154 -8.931 1.00 63.42 C ATOM 512 CE LYS A 33 -2.681 -12.809 -9.861 1.00 12.14 C ATOM 513 NZ LYS A 33 -2.767 -12.262 -11.241 1.00 12.13 N ATOM 0 H LYS A 33 -3.692 -11.171 -5.102 1.00 74.30 H new ATOM 0 HA LYS A 33 -2.964 -14.027 -5.085 1.00 74.02 H new ATOM 0 HB2 LYS A 33 -2.081 -11.633 -6.798 1.00 53.05 H new ATOM 0 HB3 LYS A 33 -1.703 -13.313 -7.125 1.00 53.05 H new ATOM 0 HG2 LYS A 33 -4.016 -13.846 -7.619 1.00 1.32 H new ATOM 0 HG3 LYS A 33 -4.585 -12.324 -6.961 1.00 1.32 H new ATOM 0 HD2 LYS A 33 -4.695 -12.219 -9.392 1.00 63.42 H new ATOM 0 HD3 LYS A 33 -3.472 -11.095 -8.832 1.00 63.42 H new ATOM 0 HE2 LYS A 33 -1.678 -12.648 -9.467 1.00 12.14 H new ATOM 0 HE3 LYS A 33 -2.845 -13.886 -9.885 1.00 12.14 H new ATOM 0 HZ1 LYS A 33 -2.058 -12.727 -11.843 1.00 12.13 H new ATOM 0 HZ2 LYS A 33 -3.717 -12.438 -11.626 1.00 12.13 H new ATOM 0 HZ3 LYS A 33 -2.586 -11.238 -11.220 1.00 12.13 H new ATOM 527 N ILE A 34 -1.171 -11.774 -3.599 1.00 10.11 N ATOM 528 CA ILE A 34 0.074 -11.541 -2.799 1.00 33.53 C ATOM 529 C ILE A 34 -0.220 -11.358 -1.289 1.00 51.31 C ATOM 530 O ILE A 34 0.471 -11.928 -0.441 1.00 42.30 O ATOM 531 CB ILE A 34 0.884 -10.299 -3.347 1.00 70.54 C ATOM 532 CG1 ILE A 34 0.061 -8.981 -3.255 1.00 43.20 C ATOM 533 CG2 ILE A 34 1.337 -10.544 -4.795 1.00 2.43 C ATOM 534 CD1 ILE A 34 0.713 -7.775 -3.878 1.00 63.35 C ATOM 0 H ILE A 34 -1.879 -11.048 -3.485 1.00 10.11 H new ATOM 0 HA ILE A 34 0.683 -12.438 -2.912 1.00 33.53 H new ATOM 0 HB ILE A 34 1.764 -10.183 -2.714 1.00 70.54 H new ATOM 0 HG12 ILE A 34 -0.905 -9.140 -3.734 1.00 43.20 H new ATOM 0 HG13 ILE A 34 -0.135 -8.766 -2.205 1.00 43.20 H new ATOM 0 HG21 ILE A 34 1.893 -9.678 -5.154 1.00 2.43 H new ATOM 0 HG22 ILE A 34 1.976 -11.426 -4.832 1.00 2.43 H new ATOM 0 HG23 ILE A 34 0.464 -10.702 -5.428 1.00 2.43 H new ATOM 0 HD11 ILE A 34 0.062 -6.909 -3.762 1.00 63.35 H new ATOM 0 HD12 ILE A 34 1.666 -7.581 -3.385 1.00 63.35 H new ATOM 0 HD13 ILE A 34 0.884 -7.961 -4.938 1.00 63.35 H new ATOM 546 N LEU A 35 -1.239 -10.544 -0.969 1.00 34.25 N ATOM 547 CA LEU A 35 -1.686 -10.281 0.419 1.00 63.54 C ATOM 548 C LEU A 35 -2.845 -11.223 0.764 1.00 11.00 C ATOM 549 O LEU A 35 -3.367 -11.942 -0.096 1.00 53.22 O ATOM 550 CB LEU A 35 -2.128 -8.774 0.586 1.00 3.31 C ATOM 551 CG LEU A 35 -1.048 -7.759 1.091 1.00 33.31 C ATOM 552 CD1 LEU A 35 -0.686 -8.010 2.568 1.00 21.14 C ATOM 553 CD2 LEU A 35 0.214 -7.767 0.210 1.00 64.11 C ATOM 0 H LEU A 35 -1.785 -10.042 -1.670 1.00 34.25 H new ATOM 0 HA LEU A 35 -0.857 -10.464 1.103 1.00 63.54 H new ATOM 0 HB2 LEU A 35 -2.497 -8.422 -0.378 1.00 3.31 H new ATOM 0 HB3 LEU A 35 -2.969 -8.744 1.279 1.00 3.31 H new ATOM 0 HG LEU A 35 -1.492 -6.766 1.014 1.00 33.31 H new ATOM 0 HD11 LEU A 35 0.066 -7.288 2.886 1.00 21.14 H new ATOM 0 HD12 LEU A 35 -1.578 -7.900 3.185 1.00 21.14 H new ATOM 0 HD13 LEU A 35 -0.290 -9.019 2.679 1.00 21.14 H new ATOM 0 HD21 LEU A 35 0.934 -7.047 0.599 1.00 64.11 H new ATOM 0 HD22 LEU A 35 0.656 -8.763 0.217 1.00 64.11 H new ATOM 0 HD23 LEU A 35 -0.054 -7.496 -0.811 1.00 64.11 H new ATOM 565 N SER A 36 -3.239 -11.202 2.029 1.00 62.25 N ATOM 566 CA SER A 36 -4.386 -11.966 2.517 1.00 33.34 C ATOM 567 C SER A 36 -5.705 -11.181 2.246 1.00 53.12 C ATOM 568 O SER A 36 -5.703 -9.943 2.327 1.00 33.21 O ATOM 569 CB SER A 36 -4.170 -12.247 4.012 1.00 64.14 C ATOM 570 OG SER A 36 -2.920 -12.884 4.221 1.00 71.13 O ATOM 0 H SER A 36 -2.773 -10.653 2.751 1.00 62.25 H new ATOM 0 HA SER A 36 -4.475 -12.917 1.992 1.00 33.34 H new ATOM 0 HB2 SER A 36 -4.207 -11.313 4.573 1.00 64.14 H new ATOM 0 HB3 SER A 36 -4.974 -12.878 4.390 1.00 64.14 H new ATOM 0 HG SER A 36 -2.196 -12.281 3.951 1.00 71.13 H new ATOM 576 N PRO A 37 -6.845 -11.888 1.895 1.00 52.15 N ATOM 577 CA PRO A 37 -8.154 -11.245 1.522 1.00 3.23 C ATOM 578 C PRO A 37 -8.675 -10.222 2.564 1.00 65.21 C ATOM 579 O PRO A 37 -9.336 -9.241 2.204 1.00 55.34 O ATOM 580 CB PRO A 37 -9.131 -12.455 1.358 1.00 14.33 C ATOM 581 CG PRO A 37 -8.433 -13.616 2.008 1.00 60.11 C ATOM 582 CD PRO A 37 -6.955 -13.370 1.798 1.00 14.13 C ATOM 0 HA PRO A 37 -8.053 -10.645 0.618 1.00 3.23 H new ATOM 0 HB2 PRO A 37 -10.090 -12.254 1.836 1.00 14.33 H new ATOM 0 HB3 PRO A 37 -9.335 -12.657 0.306 1.00 14.33 H new ATOM 0 HG2 PRO A 37 -8.674 -13.674 3.069 1.00 60.11 H new ATOM 0 HG3 PRO A 37 -8.741 -14.560 1.559 1.00 60.11 H new ATOM 0 HD2 PRO A 37 -6.351 -13.870 2.555 1.00 14.13 H new ATOM 0 HD3 PRO A 37 -6.618 -13.737 0.828 1.00 14.13 H new ATOM 590 N ASP A 38 -8.366 -10.476 3.844 1.00 43.33 N ATOM 591 CA ASP A 38 -8.680 -9.561 4.963 1.00 72.44 C ATOM 592 C ASP A 38 -7.920 -8.225 4.835 1.00 63.52 C ATOM 593 O ASP A 38 -8.522 -7.151 4.957 1.00 23.02 O ATOM 594 CB ASP A 38 -8.332 -10.254 6.312 1.00 75.04 C ATOM 595 CG ASP A 38 -8.283 -9.298 7.526 1.00 54.41 C ATOM 596 OD1 ASP A 38 -7.171 -8.878 7.930 1.00 4.52 O ATOM 597 OD2 ASP A 38 -9.349 -8.974 8.081 1.00 45.01 O ATOM 0 H ASP A 38 -7.888 -11.327 4.139 1.00 43.33 H new ATOM 0 HA ASP A 38 -9.746 -9.334 4.931 1.00 72.44 H new ATOM 0 HB2 ASP A 38 -9.069 -11.033 6.507 1.00 75.04 H new ATOM 0 HB3 ASP A 38 -7.365 -10.748 6.214 1.00 75.04 H new ATOM 602 N VAL A 39 -6.599 -8.320 4.573 1.00 62.10 N ATOM 603 CA VAL A 39 -5.678 -7.165 4.596 1.00 30.51 C ATOM 604 C VAL A 39 -6.048 -6.127 3.523 1.00 24.40 C ATOM 605 O VAL A 39 -5.980 -4.924 3.768 1.00 72.24 O ATOM 606 CB VAL A 39 -4.180 -7.603 4.401 1.00 50.20 C ATOM 607 CG1 VAL A 39 -3.227 -6.392 4.537 1.00 40.34 C ATOM 608 CG2 VAL A 39 -3.786 -8.717 5.391 1.00 13.24 C ATOM 0 H VAL A 39 -6.141 -9.201 4.339 1.00 62.10 H new ATOM 0 HA VAL A 39 -5.782 -6.711 5.582 1.00 30.51 H new ATOM 0 HB VAL A 39 -4.085 -8.003 3.392 1.00 50.20 H new ATOM 0 HG11 VAL A 39 -2.197 -6.722 4.398 1.00 40.34 H new ATOM 0 HG12 VAL A 39 -3.475 -5.647 3.781 1.00 40.34 H new ATOM 0 HG13 VAL A 39 -3.336 -5.952 5.528 1.00 40.34 H new ATOM 0 HG21 VAL A 39 -2.745 -8.996 5.229 1.00 13.24 H new ATOM 0 HG22 VAL A 39 -3.911 -8.357 6.412 1.00 13.24 H new ATOM 0 HG23 VAL A 39 -4.424 -9.587 5.233 1.00 13.24 H new ATOM 618 N LEU A 40 -6.444 -6.598 2.338 1.00 1.33 N ATOM 619 CA LEU A 40 -6.834 -5.702 1.233 1.00 53.03 C ATOM 620 C LEU A 40 -8.231 -5.114 1.467 1.00 42.24 C ATOM 621 O LEU A 40 -8.539 -4.014 0.985 1.00 61.13 O ATOM 622 CB LEU A 40 -6.760 -6.459 -0.116 1.00 44.54 C ATOM 623 CG LEU A 40 -7.790 -7.633 -0.347 1.00 34.02 C ATOM 624 CD1 LEU A 40 -9.032 -7.185 -1.155 1.00 53.31 C ATOM 625 CD2 LEU A 40 -7.118 -8.846 -1.005 1.00 54.13 C ATOM 0 H LEU A 40 -6.505 -7.591 2.114 1.00 1.33 H new ATOM 0 HA LEU A 40 -6.133 -4.868 1.197 1.00 53.03 H new ATOM 0 HB2 LEU A 40 -6.892 -5.732 -0.918 1.00 44.54 H new ATOM 0 HB3 LEU A 40 -5.755 -6.868 -0.218 1.00 44.54 H new ATOM 0 HG LEU A 40 -8.143 -7.931 0.640 1.00 34.02 H new ATOM 0 HD11 LEU A 40 -9.707 -8.031 -1.284 1.00 53.31 H new ATOM 0 HD12 LEU A 40 -9.548 -6.389 -0.618 1.00 53.31 H new ATOM 0 HD13 LEU A 40 -8.718 -6.819 -2.132 1.00 53.31 H new ATOM 0 HD21 LEU A 40 -7.855 -9.636 -1.150 1.00 54.13 H new ATOM 0 HD22 LEU A 40 -6.705 -8.554 -1.970 1.00 54.13 H new ATOM 0 HD23 LEU A 40 -6.316 -9.211 -0.363 1.00 54.13 H new ATOM 637 N ASP A 41 -9.069 -5.867 2.213 1.00 21.13 N ATOM 638 CA ASP A 41 -10.473 -5.500 2.461 1.00 35.02 C ATOM 639 C ASP A 41 -10.554 -4.334 3.462 1.00 70.14 C ATOM 640 O ASP A 41 -11.273 -3.365 3.227 1.00 55.42 O ATOM 641 CB ASP A 41 -11.304 -6.717 2.939 1.00 71.51 C ATOM 642 CG ASP A 41 -12.816 -6.425 2.905 1.00 25.21 C ATOM 643 OD1 ASP A 41 -13.419 -6.173 3.967 1.00 24.31 O ATOM 644 OD2 ASP A 41 -13.403 -6.433 1.798 1.00 75.05 O ATOM 0 H ASP A 41 -8.789 -6.742 2.657 1.00 21.13 H new ATOM 0 HA ASP A 41 -10.908 -5.169 1.518 1.00 35.02 H new ATOM 0 HB2 ASP A 41 -11.086 -7.577 2.307 1.00 71.51 H new ATOM 0 HB3 ASP A 41 -11.008 -6.984 3.954 1.00 71.51 H new ATOM 649 N GLN A 42 -9.765 -4.417 4.549 1.00 43.11 N ATOM 650 CA GLN A 42 -9.657 -3.327 5.538 1.00 1.35 C ATOM 651 C GLN A 42 -9.069 -2.048 4.889 1.00 73.51 C ATOM 652 O GLN A 42 -9.439 -0.940 5.268 1.00 72.22 O ATOM 653 CB GLN A 42 -8.810 -3.779 6.760 1.00 25.14 C ATOM 654 CG GLN A 42 -7.398 -4.280 6.410 1.00 2.54 C ATOM 655 CD GLN A 42 -6.525 -4.678 7.602 1.00 24.54 C ATOM 656 OE1 GLN A 42 -7.011 -5.096 8.651 1.00 0.22 O ATOM 657 NE2 GLN A 42 -5.213 -4.561 7.434 1.00 32.31 N ATOM 0 H GLN A 42 -9.190 -5.231 4.766 1.00 43.11 H new ATOM 0 HA GLN A 42 -10.659 -3.087 5.894 1.00 1.35 H new ATOM 0 HB2 GLN A 42 -8.723 -2.943 7.454 1.00 25.14 H new ATOM 0 HB3 GLN A 42 -9.344 -4.573 7.282 1.00 25.14 H new ATOM 0 HG2 GLN A 42 -7.491 -5.140 5.747 1.00 2.54 H new ATOM 0 HG3 GLN A 42 -6.883 -3.500 5.850 1.00 2.54 H new ATOM 0 HE21 GLN A 42 -4.841 -4.211 6.551 1.00 32.31 H new ATOM 0 HE22 GLN A 42 -4.577 -4.821 8.188 1.00 32.31 H new ATOM 666 N VAL A 43 -8.167 -2.228 3.895 1.00 63.31 N ATOM 667 CA VAL A 43 -7.582 -1.118 3.110 1.00 21.52 C ATOM 668 C VAL A 43 -8.668 -0.372 2.297 1.00 50.41 C ATOM 669 O VAL A 43 -8.780 0.847 2.401 1.00 63.53 O ATOM 670 CB VAL A 43 -6.423 -1.644 2.164 1.00 31.31 C ATOM 671 CG1 VAL A 43 -6.048 -0.630 1.057 1.00 70.11 C ATOM 672 CG2 VAL A 43 -5.167 -2.016 2.995 1.00 65.21 C ATOM 0 H VAL A 43 -7.825 -3.148 3.616 1.00 63.31 H new ATOM 0 HA VAL A 43 -7.148 -0.406 3.812 1.00 21.52 H new ATOM 0 HB VAL A 43 -6.806 -2.535 1.667 1.00 31.31 H new ATOM 0 HG11 VAL A 43 -5.250 -1.043 0.440 1.00 70.11 H new ATOM 0 HG12 VAL A 43 -6.921 -0.431 0.435 1.00 70.11 H new ATOM 0 HG13 VAL A 43 -5.709 0.299 1.515 1.00 70.11 H new ATOM 0 HG21 VAL A 43 -4.383 -2.375 2.328 1.00 65.21 H new ATOM 0 HG22 VAL A 43 -4.812 -1.136 3.532 1.00 65.21 H new ATOM 0 HG23 VAL A 43 -5.422 -2.799 3.709 1.00 65.21 H new ATOM 682 N ARG A 44 -9.481 -1.118 1.523 1.00 53.41 N ATOM 683 CA ARG A 44 -10.539 -0.531 0.653 1.00 31.24 C ATOM 684 C ARG A 44 -11.708 0.078 1.488 1.00 61.51 C ATOM 685 O ARG A 44 -12.511 0.847 0.955 1.00 21.31 O ATOM 686 CB ARG A 44 -11.028 -1.563 -0.419 1.00 4.22 C ATOM 687 CG ARG A 44 -11.573 -2.882 0.152 1.00 31.24 C ATOM 688 CD ARG A 44 -11.793 -3.996 -0.901 1.00 64.40 C ATOM 689 NE ARG A 44 -12.961 -3.770 -1.783 1.00 44.51 N ATOM 690 CZ ARG A 44 -14.114 -4.478 -1.747 1.00 64.11 C ATOM 691 NH1 ARG A 44 -14.294 -5.460 -0.859 1.00 21.41 N ATOM 692 NH2 ARG A 44 -15.085 -4.208 -2.608 1.00 73.14 N ATOM 0 H ARG A 44 -9.430 -2.136 1.478 1.00 53.41 H new ATOM 0 HA ARG A 44 -10.097 0.302 0.107 1.00 31.24 H new ATOM 0 HB2 ARG A 44 -11.807 -1.096 -1.022 1.00 4.22 H new ATOM 0 HB3 ARG A 44 -10.198 -1.789 -1.089 1.00 4.22 H new ATOM 0 HG2 ARG A 44 -10.881 -3.248 0.910 1.00 31.24 H new ATOM 0 HG3 ARG A 44 -12.520 -2.682 0.654 1.00 31.24 H new ATOM 0 HD2 ARG A 44 -10.897 -4.082 -1.516 1.00 64.40 H new ATOM 0 HD3 ARG A 44 -11.919 -4.949 -0.386 1.00 64.40 H new ATOM 0 HE ARG A 44 -12.891 -3.021 -2.472 1.00 44.51 H new ATOM 0 HH11 ARG A 44 -13.556 -5.687 -0.193 1.00 21.41 H new ATOM 0 HH12 ARG A 44 -15.170 -5.983 -0.847 1.00 21.41 H new ATOM 0 HH21 ARG A 44 -14.963 -3.467 -3.298 1.00 73.14 H new ATOM 0 HH22 ARG A 44 -15.954 -4.742 -2.581 1.00 73.14 H new ATOM 706 N GLU A 45 -11.810 -0.302 2.786 1.00 73.43 N ATOM 707 CA GLU A 45 -12.751 0.330 3.756 1.00 3.13 C ATOM 708 C GLU A 45 -12.146 1.614 4.381 1.00 13.20 C ATOM 709 O GLU A 45 -12.867 2.569 4.665 1.00 41.53 O ATOM 710 CB GLU A 45 -13.125 -0.671 4.875 1.00 73.32 C ATOM 711 CG GLU A 45 -13.822 -1.939 4.360 1.00 3.12 C ATOM 712 CD GLU A 45 -14.176 -2.918 5.481 1.00 73.21 C ATOM 713 OE1 GLU A 45 -15.372 -3.056 5.826 1.00 44.31 O ATOM 714 OE2 GLU A 45 -13.244 -3.521 6.052 1.00 75.22 O ATOM 0 H GLU A 45 -11.248 -1.050 3.192 1.00 73.43 H new ATOM 0 HA GLU A 45 -13.650 0.610 3.207 1.00 3.13 H new ATOM 0 HB2 GLU A 45 -12.221 -0.957 5.412 1.00 73.32 H new ATOM 0 HB3 GLU A 45 -13.778 -0.174 5.592 1.00 73.32 H new ATOM 0 HG2 GLU A 45 -14.731 -1.658 3.829 1.00 3.12 H new ATOM 0 HG3 GLU A 45 -13.173 -2.438 3.640 1.00 3.12 H new ATOM 721 N HIS A 46 -10.815 1.611 4.609 1.00 21.40 N ATOM 722 CA HIS A 46 -10.060 2.804 5.091 1.00 33.12 C ATOM 723 C HIS A 46 -9.908 3.849 3.964 1.00 14.35 C ATOM 724 O HIS A 46 -9.575 5.009 4.217 1.00 32.35 O ATOM 725 CB HIS A 46 -8.684 2.399 5.695 1.00 71.43 C ATOM 726 CG HIS A 46 -8.801 1.618 6.986 1.00 63.44 C ATOM 727 ND1 HIS A 46 -8.061 0.490 7.262 1.00 60.11 N ATOM 728 CD2 HIS A 46 -9.600 1.806 8.068 1.00 5.01 C ATOM 729 CE1 HIS A 46 -8.392 0.029 8.455 1.00 14.51 C ATOM 730 NE2 HIS A 46 -9.324 0.806 8.961 1.00 52.22 N ATOM 0 H HIS A 46 -10.229 0.788 4.467 1.00 21.40 H new ATOM 0 HA HIS A 46 -10.635 3.267 5.893 1.00 33.12 H new ATOM 0 HB2 HIS A 46 -8.137 1.801 4.966 1.00 71.43 H new ATOM 0 HB3 HIS A 46 -8.096 3.299 5.875 1.00 71.43 H new ATOM 0 HD2 HIS A 46 -10.321 2.599 8.200 1.00 5.01 H new ATOM 0 HE1 HIS A 46 -7.968 -0.841 8.934 1.00 14.51 H new ATOM 0 HE2 HIS A 46 -9.769 0.684 9.871 1.00 52.22 H new ATOM 739 N ALA A 47 -10.117 3.384 2.722 1.00 41.34 N ATOM 740 CA ALA A 47 -10.235 4.226 1.526 1.00 73.22 C ATOM 741 C ALA A 47 -11.343 5.275 1.679 1.00 53.13 C ATOM 742 O ALA A 47 -11.201 6.404 1.202 1.00 72.32 O ATOM 743 CB ALA A 47 -10.528 3.335 0.318 1.00 14.41 C ATOM 0 H ALA A 47 -10.210 2.389 2.519 1.00 41.34 H new ATOM 0 HA ALA A 47 -9.295 4.759 1.385 1.00 73.22 H new ATOM 0 HB1 ALA A 47 -10.617 3.952 -0.576 1.00 14.41 H new ATOM 0 HB2 ALA A 47 -9.715 2.621 0.186 1.00 14.41 H new ATOM 0 HB3 ALA A 47 -11.461 2.796 0.481 1.00 14.41 H new ATOM 749 N ARG A 48 -12.438 4.868 2.372 1.00 22.44 N ATOM 750 CA ARG A 48 -13.602 5.729 2.644 1.00 64.54 C ATOM 751 C ARG A 48 -13.191 7.019 3.367 1.00 24.34 C ATOM 752 O ARG A 48 -13.766 8.061 3.116 1.00 12.25 O ATOM 753 CB ARG A 48 -14.666 4.987 3.499 1.00 45.14 C ATOM 754 CG ARG A 48 -15.307 3.749 2.827 1.00 34.42 C ATOM 755 CD ARG A 48 -16.453 3.159 3.678 1.00 52.45 C ATOM 756 NE ARG A 48 -17.173 2.059 3.009 1.00 23.51 N ATOM 757 CZ ARG A 48 -18.455 1.701 3.256 1.00 0.44 C ATOM 758 NH1 ARG A 48 -19.195 2.357 4.153 1.00 32.32 N ATOM 759 NH2 ARG A 48 -18.992 0.684 2.600 1.00 43.44 N ATOM 0 H ARG A 48 -12.531 3.928 2.756 1.00 22.44 H new ATOM 0 HA ARG A 48 -14.033 5.985 1.676 1.00 64.54 H new ATOM 0 HB2 ARG A 48 -14.202 4.673 4.434 1.00 45.14 H new ATOM 0 HB3 ARG A 48 -15.457 5.691 3.756 1.00 45.14 H new ATOM 0 HG2 ARG A 48 -15.690 4.027 1.845 1.00 34.42 H new ATOM 0 HG3 ARG A 48 -14.544 2.987 2.668 1.00 34.42 H new ATOM 0 HD2 ARG A 48 -16.045 2.796 4.621 1.00 52.45 H new ATOM 0 HD3 ARG A 48 -17.161 3.952 3.921 1.00 52.45 H new ATOM 0 HE ARG A 48 -16.664 1.526 2.304 1.00 23.51 H new ATOM 0 HH11 ARG A 48 -18.796 3.143 4.666 1.00 32.32 H new ATOM 0 HH12 ARG A 48 -20.159 2.072 4.325 1.00 32.32 H new ATOM 0 HH21 ARG A 48 -18.440 0.173 1.911 1.00 43.44 H new ATOM 0 HH22 ARG A 48 -19.958 0.412 2.784 1.00 43.44 H new ATOM 773 N GLU A 49 -12.175 6.927 4.246 1.00 73.35 N ATOM 774 CA GLU A 49 -11.733 8.058 5.083 1.00 33.04 C ATOM 775 C GLU A 49 -11.153 9.194 4.217 1.00 60.23 C ATOM 776 O GLU A 49 -11.635 10.324 4.267 1.00 53.25 O ATOM 777 CB GLU A 49 -10.679 7.584 6.128 1.00 43.34 C ATOM 778 CG GLU A 49 -11.081 6.326 6.932 1.00 30.12 C ATOM 779 CD GLU A 49 -12.490 6.408 7.555 1.00 54.01 C ATOM 780 OE1 GLU A 49 -12.663 7.123 8.568 1.00 61.34 O ATOM 781 OE2 GLU A 49 -13.422 5.737 7.050 1.00 33.21 O ATOM 0 H GLU A 49 -11.640 6.071 4.395 1.00 73.35 H new ATOM 0 HA GLU A 49 -12.603 8.444 5.613 1.00 33.04 H new ATOM 0 HB2 GLU A 49 -9.741 7.383 5.611 1.00 43.34 H new ATOM 0 HB3 GLU A 49 -10.489 8.399 6.827 1.00 43.34 H new ATOM 0 HG2 GLU A 49 -11.034 5.457 6.276 1.00 30.12 H new ATOM 0 HG3 GLU A 49 -10.352 6.166 7.726 1.00 30.12 H new ATOM 788 N LEU A 50 -10.151 8.849 3.386 1.00 74.51 N ATOM 789 CA LEU A 50 -9.404 9.827 2.567 1.00 23.02 C ATOM 790 C LEU A 50 -10.273 10.375 1.414 1.00 22.40 C ATOM 791 O LEU A 50 -10.162 11.548 1.051 1.00 42.41 O ATOM 792 CB LEU A 50 -8.107 9.170 2.022 1.00 53.35 C ATOM 793 CG LEU A 50 -7.122 8.628 3.108 1.00 31.23 C ATOM 794 CD1 LEU A 50 -5.894 7.954 2.465 1.00 12.11 C ATOM 795 CD2 LEU A 50 -6.692 9.745 4.090 1.00 30.53 C ATOM 0 H LEU A 50 -9.836 7.887 3.263 1.00 74.51 H new ATOM 0 HA LEU A 50 -9.134 10.674 3.198 1.00 23.02 H new ATOM 0 HB2 LEU A 50 -8.386 8.346 1.365 1.00 53.35 H new ATOM 0 HB3 LEU A 50 -7.579 9.901 1.410 1.00 53.35 H new ATOM 0 HG LEU A 50 -7.656 7.870 3.682 1.00 31.23 H new ATOM 0 HD11 LEU A 50 -5.229 7.588 3.247 1.00 12.11 H new ATOM 0 HD12 LEU A 50 -6.220 7.119 1.846 1.00 12.11 H new ATOM 0 HD13 LEU A 50 -5.363 8.678 1.847 1.00 12.11 H new ATOM 0 HD21 LEU A 50 -6.007 9.334 4.832 1.00 30.53 H new ATOM 0 HD22 LEU A 50 -6.193 10.542 3.539 1.00 30.53 H new ATOM 0 HD23 LEU A 50 -7.572 10.147 4.592 1.00 30.53 H new ATOM 807 N GLN A 51 -11.146 9.507 0.874 1.00 3.44 N ATOM 808 CA GLN A 51 -12.076 9.853 -0.217 1.00 60.32 C ATOM 809 C GLN A 51 -13.178 10.827 0.272 1.00 12.22 C ATOM 810 O GLN A 51 -13.459 11.834 -0.392 1.00 22.35 O ATOM 811 CB GLN A 51 -12.693 8.547 -0.792 1.00 4.11 C ATOM 812 CG GLN A 51 -13.770 8.754 -1.876 1.00 43.01 C ATOM 813 CD GLN A 51 -14.318 7.443 -2.441 1.00 14.12 C ATOM 814 OE1 GLN A 51 -14.324 6.413 -1.772 1.00 64.44 O ATOM 815 NE2 GLN A 51 -14.823 7.476 -3.660 1.00 74.11 N ATOM 0 H GLN A 51 -11.227 8.539 1.184 1.00 3.44 H new ATOM 0 HA GLN A 51 -11.527 10.367 -1.006 1.00 60.32 H new ATOM 0 HB2 GLN A 51 -11.891 7.938 -1.210 1.00 4.11 H new ATOM 0 HB3 GLN A 51 -13.130 7.978 0.029 1.00 4.11 H new ATOM 0 HG2 GLN A 51 -14.593 9.333 -1.456 1.00 43.01 H new ATOM 0 HG3 GLN A 51 -13.348 9.344 -2.690 1.00 43.01 H new ATOM 0 HE21 GLN A 51 -14.806 8.344 -4.196 1.00 74.11 H new ATOM 0 HE22 GLN A 51 -15.230 6.634 -4.066 1.00 74.11 H new ATOM 824 N LYS A 52 -13.762 10.522 1.447 1.00 52.23 N ATOM 825 CA LYS A 52 -14.841 11.326 2.074 1.00 42.42 C ATOM 826 C LYS A 52 -14.338 12.736 2.449 1.00 50.42 C ATOM 827 O LYS A 52 -15.039 13.736 2.255 1.00 45.11 O ATOM 828 CB LYS A 52 -15.361 10.568 3.324 1.00 51.33 C ATOM 829 CG LYS A 52 -16.525 11.226 4.093 1.00 5.22 C ATOM 830 CD LYS A 52 -16.951 10.367 5.312 1.00 5.00 C ATOM 831 CE LYS A 52 -18.073 11.011 6.140 1.00 52.11 C ATOM 832 NZ LYS A 52 -17.644 12.302 6.740 1.00 63.45 N ATOM 0 H LYS A 52 -13.499 9.704 1.996 1.00 52.23 H new ATOM 0 HA LYS A 52 -15.656 11.458 1.363 1.00 42.42 H new ATOM 0 HB2 LYS A 52 -15.678 9.573 3.012 1.00 51.33 H new ATOM 0 HB3 LYS A 52 -14.528 10.436 4.014 1.00 51.33 H new ATOM 0 HG2 LYS A 52 -16.226 12.218 4.431 1.00 5.22 H new ATOM 0 HG3 LYS A 52 -17.376 11.360 3.425 1.00 5.22 H new ATOM 0 HD2 LYS A 52 -17.281 9.389 4.962 1.00 5.00 H new ATOM 0 HD3 LYS A 52 -16.085 10.201 5.952 1.00 5.00 H new ATOM 0 HE2 LYS A 52 -18.944 11.176 5.506 1.00 52.11 H new ATOM 0 HE3 LYS A 52 -18.380 10.327 6.931 1.00 52.11 H new ATOM 0 HZ1 LYS A 52 -18.375 12.639 7.398 1.00 63.45 H new ATOM 0 HZ2 LYS A 52 -16.751 12.166 7.255 1.00 63.45 H new ATOM 0 HZ3 LYS A 52 -17.505 13.006 5.987 1.00 63.45 H new ATOM 846 N GLN A 53 -13.106 12.794 2.973 1.00 10.54 N ATOM 847 CA GLN A 53 -12.440 14.060 3.342 1.00 31.00 C ATOM 848 C GLN A 53 -11.925 14.824 2.102 1.00 4.13 C ATOM 849 O GLN A 53 -11.665 16.030 2.184 1.00 33.34 O ATOM 850 CB GLN A 53 -11.278 13.765 4.319 1.00 15.45 C ATOM 851 CG GLN A 53 -11.730 13.217 5.685 1.00 24.04 C ATOM 852 CD GLN A 53 -10.557 12.887 6.602 1.00 34.12 C ATOM 853 OE1 GLN A 53 -10.089 13.735 7.365 1.00 52.31 O ATOM 854 NE2 GLN A 53 -10.065 11.658 6.526 1.00 62.22 N ATOM 0 H GLN A 53 -12.539 11.966 3.155 1.00 10.54 H new ATOM 0 HA GLN A 53 -13.175 14.701 3.830 1.00 31.00 H new ATOM 0 HB2 GLN A 53 -10.602 13.046 3.856 1.00 15.45 H new ATOM 0 HB3 GLN A 53 -10.709 14.681 4.477 1.00 15.45 H new ATOM 0 HG2 GLN A 53 -12.372 13.951 6.172 1.00 24.04 H new ATOM 0 HG3 GLN A 53 -12.330 12.320 5.532 1.00 24.04 H new ATOM 0 HE21 GLN A 53 -10.478 10.982 5.883 1.00 62.22 H new ATOM 0 HE22 GLN A 53 -9.274 11.388 7.111 1.00 62.22 H new ATOM 863 N GLY A 54 -11.766 14.108 0.971 1.00 11.44 N ATOM 864 CA GLY A 54 -11.347 14.716 -0.300 1.00 42.44 C ATOM 865 C GLY A 54 -9.855 15.017 -0.365 1.00 31.05 C ATOM 866 O GLY A 54 -9.432 15.946 -1.061 1.00 51.02 O ATOM 0 H GLY A 54 -11.924 13.102 0.916 1.00 11.44 H new ATOM 0 HA2 GLY A 54 -11.611 14.046 -1.119 1.00 42.44 H new ATOM 0 HA3 GLY A 54 -11.903 15.641 -0.453 1.00 42.44 H new ATOM 870 N ILE A 55 -9.060 14.221 0.365 1.00 65.30 N ATOM 871 CA ILE A 55 -7.599 14.374 0.436 1.00 24.42 C ATOM 872 C ILE A 55 -6.948 13.734 -0.803 1.00 45.03 C ATOM 873 O ILE A 55 -6.903 12.499 -0.915 1.00 12.44 O ATOM 874 CB ILE A 55 -7.025 13.718 1.754 1.00 75.34 C ATOM 875 CG1 ILE A 55 -7.723 14.328 3.011 1.00 22.23 C ATOM 876 CG2 ILE A 55 -5.480 13.876 1.839 1.00 42.20 C ATOM 877 CD1 ILE A 55 -7.317 13.700 4.337 1.00 42.02 C ATOM 0 H ILE A 55 -9.415 13.447 0.927 1.00 65.30 H new ATOM 0 HA ILE A 55 -7.363 15.438 0.458 1.00 24.42 H new ATOM 0 HB ILE A 55 -7.241 12.650 1.724 1.00 75.34 H new ATOM 0 HG12 ILE A 55 -7.504 15.395 3.049 1.00 22.23 H new ATOM 0 HG13 ILE A 55 -8.802 14.228 2.894 1.00 22.23 H new ATOM 0 HG21 ILE A 55 -5.117 13.414 2.757 1.00 42.20 H new ATOM 0 HG22 ILE A 55 -5.017 13.390 0.980 1.00 42.20 H new ATOM 0 HG23 ILE A 55 -5.222 14.935 1.839 1.00 42.20 H new ATOM 0 HD11 ILE A 55 -7.853 14.189 5.150 1.00 42.02 H new ATOM 0 HD12 ILE A 55 -7.563 12.638 4.327 1.00 42.02 H new ATOM 0 HD13 ILE A 55 -6.244 13.823 4.484 1.00 42.02 H new ATOM 889 N HIS A 56 -6.485 14.569 -1.758 1.00 42.54 N ATOM 890 CA HIS A 56 -5.726 14.081 -2.916 1.00 52.50 C ATOM 891 C HIS A 56 -4.261 13.906 -2.503 1.00 40.24 C ATOM 892 O HIS A 56 -3.561 14.883 -2.240 1.00 2.30 O ATOM 893 CB HIS A 56 -5.832 15.043 -4.135 1.00 31.43 C ATOM 894 CG HIS A 56 -5.027 14.587 -5.346 1.00 73.44 C ATOM 895 ND1 HIS A 56 -5.533 13.750 -6.319 1.00 63.22 N ATOM 896 CD2 HIS A 56 -3.739 14.828 -5.709 1.00 21.22 C ATOM 897 CE1 HIS A 56 -4.595 13.500 -7.213 1.00 21.21 C ATOM 898 NE2 HIS A 56 -3.500 14.140 -6.867 1.00 50.33 N ATOM 0 H HIS A 56 -6.626 15.579 -1.745 1.00 42.54 H new ATOM 0 HA HIS A 56 -6.149 13.127 -3.230 1.00 52.50 H new ATOM 0 HB2 HIS A 56 -6.879 15.139 -4.421 1.00 31.43 H new ATOM 0 HB3 HIS A 56 -5.491 16.034 -3.835 1.00 31.43 H new ATOM 0 HD2 HIS A 56 -3.033 15.450 -5.179 1.00 21.22 H new ATOM 0 HE1 HIS A 56 -4.708 12.873 -8.085 1.00 21.21 H new ATOM 0 HE2 HIS A 56 -2.617 14.126 -7.378 1.00 50.33 H new ATOM 907 N PHE A 57 -3.820 12.655 -2.442 1.00 32.10 N ATOM 908 CA PHE A 57 -2.407 12.296 -2.298 1.00 31.42 C ATOM 909 C PHE A 57 -1.940 11.712 -3.640 1.00 33.23 C ATOM 910 O PHE A 57 -2.722 11.052 -4.341 1.00 13.33 O ATOM 911 CB PHE A 57 -2.218 11.295 -1.123 1.00 11.15 C ATOM 912 CG PHE A 57 -3.002 9.988 -1.263 1.00 44.33 C ATOM 913 CD1 PHE A 57 -2.399 8.845 -1.783 1.00 51.33 C ATOM 914 CD2 PHE A 57 -4.350 9.912 -0.897 1.00 72.30 C ATOM 915 CE1 PHE A 57 -3.104 7.675 -1.925 1.00 22.21 C ATOM 916 CE2 PHE A 57 -5.053 8.735 -1.040 1.00 14.54 C ATOM 917 CZ PHE A 57 -4.426 7.619 -1.558 1.00 71.31 C ATOM 0 H PHE A 57 -4.440 11.847 -2.492 1.00 32.10 H new ATOM 0 HA PHE A 57 -1.802 13.170 -2.055 1.00 31.42 H new ATOM 0 HB2 PHE A 57 -1.158 11.059 -1.032 1.00 11.15 H new ATOM 0 HB3 PHE A 57 -2.516 11.784 -0.196 1.00 11.15 H new ATOM 0 HD1 PHE A 57 -1.361 8.879 -2.079 1.00 51.33 H new ATOM 0 HD2 PHE A 57 -4.845 10.785 -0.498 1.00 72.30 H new ATOM 0 HE1 PHE A 57 -2.618 6.798 -2.326 1.00 22.21 H new ATOM 0 HE2 PHE A 57 -6.092 8.686 -0.748 1.00 14.54 H new ATOM 0 HZ PHE A 57 -4.978 6.698 -1.675 1.00 71.31 H new ATOM 927 N GLU A 58 -0.689 11.978 -4.006 1.00 4.03 N ATOM 928 CA GLU A 58 -0.115 11.551 -5.292 1.00 63.35 C ATOM 929 C GLU A 58 1.113 10.678 -5.024 1.00 43.31 C ATOM 930 O GLU A 58 2.054 11.129 -4.368 1.00 32.41 O ATOM 931 CB GLU A 58 0.269 12.799 -6.132 1.00 64.02 C ATOM 932 CG GLU A 58 0.626 12.515 -7.610 1.00 10.14 C ATOM 933 CD GLU A 58 -0.565 11.987 -8.427 1.00 1.45 C ATOM 934 OE1 GLU A 58 -0.630 10.761 -8.705 1.00 11.51 O ATOM 935 OE2 GLU A 58 -1.463 12.796 -8.770 1.00 3.53 O ATOM 0 H GLU A 58 -0.036 12.498 -3.420 1.00 4.03 H new ATOM 0 HA GLU A 58 -0.846 10.971 -5.855 1.00 63.35 H new ATOM 0 HB2 GLU A 58 -0.561 13.505 -6.105 1.00 64.02 H new ATOM 0 HB3 GLU A 58 1.119 13.289 -5.657 1.00 64.02 H new ATOM 0 HG2 GLU A 58 0.997 13.431 -8.070 1.00 10.14 H new ATOM 0 HG3 GLU A 58 1.437 11.787 -7.649 1.00 10.14 H new ATOM 942 N VAL A 59 1.090 9.431 -5.512 1.00 51.31 N ATOM 943 CA VAL A 59 2.212 8.486 -5.360 1.00 71.14 C ATOM 944 C VAL A 59 3.316 8.860 -6.371 1.00 3.21 C ATOM 945 O VAL A 59 3.213 8.565 -7.567 1.00 23.34 O ATOM 946 CB VAL A 59 1.720 7.002 -5.553 1.00 44.40 C ATOM 947 CG1 VAL A 59 2.880 5.977 -5.433 1.00 11.21 C ATOM 948 CG2 VAL A 59 0.586 6.678 -4.549 1.00 10.32 C ATOM 0 H VAL A 59 0.296 9.046 -6.023 1.00 51.31 H new ATOM 0 HA VAL A 59 2.621 8.553 -4.352 1.00 71.14 H new ATOM 0 HB VAL A 59 1.329 6.915 -6.567 1.00 44.40 H new ATOM 0 HG11 VAL A 59 2.491 4.969 -5.573 1.00 11.21 H new ATOM 0 HG12 VAL A 59 3.630 6.186 -6.196 1.00 11.21 H new ATOM 0 HG13 VAL A 59 3.335 6.056 -4.446 1.00 11.21 H new ATOM 0 HG21 VAL A 59 0.255 5.649 -4.693 1.00 10.32 H new ATOM 0 HG22 VAL A 59 0.955 6.801 -3.531 1.00 10.32 H new ATOM 0 HG23 VAL A 59 -0.252 7.355 -4.715 1.00 10.32 H new ATOM 958 N LYS A 60 4.348 9.553 -5.867 1.00 24.43 N ATOM 959 CA LYS A 60 5.407 10.166 -6.692 1.00 54.51 C ATOM 960 C LYS A 60 6.531 9.172 -6.991 1.00 44.20 C ATOM 961 O LYS A 60 6.987 9.059 -8.134 1.00 32.32 O ATOM 962 CB LYS A 60 5.986 11.417 -5.971 1.00 13.44 C ATOM 963 CG LYS A 60 4.933 12.470 -5.571 1.00 64.31 C ATOM 964 CD LYS A 60 4.087 12.983 -6.761 1.00 4.31 C ATOM 965 CE LYS A 60 4.905 13.732 -7.827 1.00 51.30 C ATOM 966 NZ LYS A 60 5.416 15.039 -7.340 1.00 65.55 N ATOM 0 H LYS A 60 4.475 9.707 -4.867 1.00 24.43 H new ATOM 0 HA LYS A 60 4.961 10.465 -7.640 1.00 54.51 H new ATOM 0 HB2 LYS A 60 6.515 11.092 -5.075 1.00 13.44 H new ATOM 0 HB3 LYS A 60 6.722 11.888 -6.622 1.00 13.44 H new ATOM 0 HG2 LYS A 60 4.268 12.040 -4.822 1.00 64.31 H new ATOM 0 HG3 LYS A 60 5.437 13.316 -5.103 1.00 64.31 H new ATOM 0 HD2 LYS A 60 3.585 12.136 -7.230 1.00 4.31 H new ATOM 0 HD3 LYS A 60 3.308 13.645 -6.382 1.00 4.31 H new ATOM 0 HE2 LYS A 60 5.745 13.111 -8.138 1.00 51.30 H new ATOM 0 HE3 LYS A 60 4.285 13.894 -8.708 1.00 51.30 H new ATOM 0 HZ1 LYS A 60 6.157 15.384 -7.984 1.00 65.55 H new ATOM 0 HZ2 LYS A 60 4.637 15.727 -7.309 1.00 65.55 H new ATOM 0 HZ3 LYS A 60 5.813 14.923 -6.386 1.00 65.55 H new ATOM 980 N ARG A 61 6.959 8.446 -5.956 1.00 23.51 N ATOM 981 CA ARG A 61 8.091 7.512 -6.044 1.00 11.04 C ATOM 982 C ARG A 61 7.818 6.302 -5.148 1.00 0.12 C ATOM 983 O ARG A 61 7.234 6.447 -4.080 1.00 20.13 O ATOM 984 CB ARG A 61 9.396 8.235 -5.609 1.00 15.40 C ATOM 985 CG ARG A 61 10.694 7.394 -5.738 1.00 4.14 C ATOM 986 CD ARG A 61 11.923 8.100 -5.111 1.00 22.15 C ATOM 987 NE ARG A 61 11.821 8.211 -3.642 1.00 34.32 N ATOM 988 CZ ARG A 61 11.601 9.338 -2.943 1.00 41.41 C ATOM 989 NH1 ARG A 61 11.439 10.512 -3.554 1.00 33.51 N ATOM 990 NH2 ARG A 61 11.546 9.287 -1.625 1.00 74.41 N ATOM 0 H ARG A 61 6.532 8.487 -5.031 1.00 23.51 H new ATOM 0 HA ARG A 61 8.212 7.168 -7.071 1.00 11.04 H new ATOM 0 HB2 ARG A 61 9.508 9.139 -6.207 1.00 15.40 H new ATOM 0 HB3 ARG A 61 9.289 8.550 -4.571 1.00 15.40 H new ATOM 0 HG2 ARG A 61 10.547 6.429 -5.254 1.00 4.14 H new ATOM 0 HG3 ARG A 61 10.891 7.195 -6.791 1.00 4.14 H new ATOM 0 HD2 ARG A 61 12.826 7.547 -5.369 1.00 22.15 H new ATOM 0 HD3 ARG A 61 12.025 9.096 -5.542 1.00 22.15 H new ATOM 0 HE ARG A 61 11.928 7.350 -3.106 1.00 34.32 H new ATOM 0 HH11 ARG A 61 11.481 10.567 -4.572 1.00 33.51 H new ATOM 0 HH12 ARG A 61 11.273 11.355 -3.004 1.00 33.51 H new ATOM 0 HH21 ARG A 61 11.670 8.396 -1.143 1.00 74.41 H new ATOM 0 HH22 ARG A 61 11.379 10.138 -1.088 1.00 74.41 H new ATOM 1004 N VAL A 62 8.215 5.110 -5.606 1.00 54.51 N ATOM 1005 CA VAL A 62 8.157 3.865 -4.817 1.00 2.21 C ATOM 1006 C VAL A 62 9.559 3.242 -4.798 1.00 22.42 C ATOM 1007 O VAL A 62 10.186 3.089 -5.849 1.00 50.32 O ATOM 1008 CB VAL A 62 7.112 2.841 -5.410 1.00 55.33 C ATOM 1009 CG1 VAL A 62 7.122 1.486 -4.651 1.00 54.32 C ATOM 1010 CG2 VAL A 62 5.696 3.456 -5.407 1.00 61.34 C ATOM 0 H VAL A 62 8.591 4.976 -6.545 1.00 54.51 H new ATOM 0 HA VAL A 62 7.829 4.102 -3.805 1.00 2.21 H new ATOM 0 HB VAL A 62 7.407 2.634 -6.439 1.00 55.33 H new ATOM 0 HG11 VAL A 62 6.387 0.815 -5.095 1.00 54.32 H new ATOM 0 HG12 VAL A 62 8.113 1.037 -4.721 1.00 54.32 H new ATOM 0 HG13 VAL A 62 6.873 1.654 -3.603 1.00 54.32 H new ATOM 0 HG21 VAL A 62 4.987 2.738 -5.819 1.00 61.34 H new ATOM 0 HG22 VAL A 62 5.409 3.704 -4.385 1.00 61.34 H new ATOM 0 HG23 VAL A 62 5.691 4.361 -6.015 1.00 61.34 H new ATOM 1020 N GLU A 63 10.047 2.917 -3.597 1.00 23.51 N ATOM 1021 CA GLU A 63 11.340 2.251 -3.386 1.00 11.04 C ATOM 1022 C GLU A 63 11.087 0.976 -2.581 1.00 43.50 C ATOM 1023 O GLU A 63 10.501 1.038 -1.506 1.00 34.41 O ATOM 1024 CB GLU A 63 12.309 3.183 -2.610 1.00 60.13 C ATOM 1025 CG GLU A 63 12.693 4.469 -3.360 1.00 32.21 C ATOM 1026 CD GLU A 63 13.540 5.418 -2.507 1.00 64.14 C ATOM 1027 OE1 GLU A 63 14.788 5.377 -2.588 1.00 52.21 O ATOM 1028 OE2 GLU A 63 12.960 6.199 -1.728 1.00 24.51 O ATOM 0 H GLU A 63 9.548 3.112 -2.729 1.00 23.51 H new ATOM 0 HA GLU A 63 11.798 2.012 -4.346 1.00 11.04 H new ATOM 0 HB2 GLU A 63 11.849 3.455 -1.660 1.00 60.13 H new ATOM 0 HB3 GLU A 63 13.218 2.628 -2.377 1.00 60.13 H new ATOM 0 HG2 GLU A 63 13.245 4.208 -4.263 1.00 32.21 H new ATOM 0 HG3 GLU A 63 11.787 4.984 -3.678 1.00 32.21 H new ATOM 1035 N VAL A 64 11.507 -0.169 -3.112 1.00 13.25 N ATOM 1036 CA VAL A 64 11.370 -1.466 -2.432 1.00 63.21 C ATOM 1037 C VAL A 64 12.717 -1.842 -1.759 1.00 51.21 C ATOM 1038 O VAL A 64 13.770 -1.805 -2.403 1.00 41.53 O ATOM 1039 CB VAL A 64 10.872 -2.572 -3.447 1.00 62.43 C ATOM 1040 CG1 VAL A 64 11.804 -2.724 -4.678 1.00 32.12 C ATOM 1041 CG2 VAL A 64 10.648 -3.920 -2.735 1.00 64.31 C ATOM 0 H VAL A 64 11.953 -0.230 -4.027 1.00 13.25 H new ATOM 0 HA VAL A 64 10.615 -1.396 -1.649 1.00 63.21 H new ATOM 0 HB VAL A 64 9.912 -2.231 -3.834 1.00 62.43 H new ATOM 0 HG11 VAL A 64 11.411 -3.497 -5.339 1.00 32.12 H new ATOM 0 HG12 VAL A 64 11.853 -1.777 -5.216 1.00 32.12 H new ATOM 0 HG13 VAL A 64 12.803 -3.005 -4.345 1.00 32.12 H new ATOM 0 HG21 VAL A 64 10.306 -4.661 -3.458 1.00 64.31 H new ATOM 0 HG22 VAL A 64 11.584 -4.255 -2.287 1.00 64.31 H new ATOM 0 HG23 VAL A 64 9.896 -3.799 -1.956 1.00 64.31 H new ATOM 1051 N THR A 65 12.678 -2.143 -0.445 1.00 54.22 N ATOM 1052 CA THR A 65 13.874 -2.503 0.347 1.00 1.13 C ATOM 1053 C THR A 65 13.580 -3.760 1.179 1.00 62.52 C ATOM 1054 O THR A 65 12.647 -3.770 1.970 1.00 70.25 O ATOM 1055 CB THR A 65 14.278 -1.311 1.282 1.00 72.41 C ATOM 1056 OG1 THR A 65 14.554 -0.156 0.479 1.00 64.43 O ATOM 1057 CG2 THR A 65 15.501 -1.619 2.167 1.00 1.04 C ATOM 0 H THR A 65 11.815 -2.144 0.099 1.00 54.22 H new ATOM 0 HA THR A 65 14.705 -2.710 -0.327 1.00 1.13 H new ATOM 0 HB THR A 65 13.438 -1.133 1.953 1.00 72.41 H new ATOM 0 HG1 THR A 65 14.806 0.593 1.059 1.00 64.43 H new ATOM 0 HG21 THR A 65 15.727 -0.753 2.789 1.00 1.04 H new ATOM 0 HG22 THR A 65 15.283 -2.476 2.804 1.00 1.04 H new ATOM 0 HG23 THR A 65 16.360 -1.846 1.535 1.00 1.04 H new ATOM 1065 N THR A 66 14.382 -4.818 0.991 1.00 34.11 N ATOM 1066 CA THR A 66 14.221 -6.094 1.704 1.00 22.23 C ATOM 1067 C THR A 66 15.009 -6.061 3.026 1.00 0.21 C ATOM 1068 O THR A 66 16.223 -5.842 3.028 1.00 44.11 O ATOM 1069 CB THR A 66 14.693 -7.288 0.805 1.00 31.54 C ATOM 1070 OG1 THR A 66 16.017 -7.034 0.281 1.00 33.40 O ATOM 1071 CG2 THR A 66 13.721 -7.524 -0.364 1.00 5.22 C ATOM 0 H THR A 66 15.165 -4.813 0.337 1.00 34.11 H new ATOM 0 HA THR A 66 13.165 -6.240 1.932 1.00 22.23 H new ATOM 0 HB THR A 66 14.713 -8.181 1.430 1.00 31.54 H new ATOM 0 HG1 THR A 66 16.567 -6.611 0.973 1.00 33.40 H new ATOM 0 HG21 THR A 66 14.076 -8.358 -0.969 1.00 5.22 H new ATOM 0 HG22 THR A 66 12.730 -7.755 0.028 1.00 5.22 H new ATOM 0 HG23 THR A 66 13.668 -6.626 -0.980 1.00 5.22 H new ATOM 1079 N ASP A 67 14.299 -6.260 4.141 1.00 45.13 N ATOM 1080 CA ASP A 67 14.865 -6.218 5.502 1.00 2.10 C ATOM 1081 C ASP A 67 14.506 -7.537 6.218 1.00 4.01 C ATOM 1082 O ASP A 67 13.445 -7.662 6.847 1.00 32.11 O ATOM 1083 CB ASP A 67 14.319 -4.959 6.238 1.00 50.22 C ATOM 1084 CG ASP A 67 14.761 -4.851 7.707 1.00 71.14 C ATOM 1085 OD1 ASP A 67 13.944 -5.108 8.612 1.00 25.34 O ATOM 1086 OD2 ASP A 67 15.931 -4.509 7.964 1.00 33.44 O ATOM 0 H ASP A 67 13.299 -6.458 4.128 1.00 45.13 H new ATOM 0 HA ASP A 67 15.952 -6.134 5.487 1.00 2.10 H new ATOM 0 HB2 ASP A 67 14.648 -4.068 5.704 1.00 50.22 H new ATOM 0 HB3 ASP A 67 13.230 -4.971 6.197 1.00 50.22 H new ATOM 1091 N GLY A 68 15.391 -8.538 6.062 1.00 44.42 N ATOM 1092 CA GLY A 68 15.111 -9.911 6.482 1.00 44.34 C ATOM 1093 C GLY A 68 14.102 -10.577 5.544 1.00 44.24 C ATOM 1094 O GLY A 68 14.346 -10.666 4.335 1.00 42.41 O ATOM 0 H GLY A 68 16.313 -8.413 5.643 1.00 44.42 H new ATOM 0 HA2 GLY A 68 16.036 -10.487 6.495 1.00 44.34 H new ATOM 0 HA3 GLY A 68 14.722 -9.911 7.500 1.00 44.34 H new ATOM 1098 N ASN A 69 12.965 -11.030 6.097 1.00 74.52 N ATOM 1099 CA ASN A 69 11.807 -11.509 5.297 1.00 71.14 C ATOM 1100 C ASN A 69 10.745 -10.396 5.173 1.00 72.32 C ATOM 1101 O ASN A 69 9.795 -10.518 4.396 1.00 23.01 O ATOM 1102 CB ASN A 69 11.172 -12.782 5.936 1.00 54.22 C ATOM 1103 CG ASN A 69 12.059 -14.024 5.842 1.00 54.24 C ATOM 1104 OD1 ASN A 69 12.840 -14.324 6.743 1.00 3.44 O ATOM 1105 ND2 ASN A 69 11.956 -14.751 4.740 1.00 3.10 N ATOM 0 H ASN A 69 12.815 -11.078 7.105 1.00 74.52 H new ATOM 0 HA ASN A 69 12.170 -11.769 4.303 1.00 71.14 H new ATOM 0 HB2 ASN A 69 10.953 -12.581 6.985 1.00 54.22 H new ATOM 0 HB3 ASN A 69 10.220 -12.988 5.446 1.00 54.22 H new ATOM 0 HD21 ASN A 69 12.533 -15.584 4.623 1.00 3.10 H new ATOM 0 HD22 ASN A 69 11.299 -14.478 4.009 1.00 3.10 H new ATOM 1112 N THR A 70 10.923 -9.313 5.940 1.00 75.45 N ATOM 1113 CA THR A 70 9.974 -8.206 5.997 1.00 22.41 C ATOM 1114 C THR A 70 10.429 -7.080 5.041 1.00 43.45 C ATOM 1115 O THR A 70 11.440 -6.419 5.282 1.00 73.44 O ATOM 1116 CB THR A 70 9.883 -7.693 7.468 1.00 23.25 C ATOM 1117 OG1 THR A 70 9.616 -8.802 8.355 1.00 44.11 O ATOM 1118 CG2 THR A 70 8.796 -6.627 7.651 1.00 61.35 C ATOM 0 H THR A 70 11.737 -9.184 6.541 1.00 75.45 H new ATOM 0 HA THR A 70 8.986 -8.539 5.679 1.00 22.41 H new ATOM 0 HB THR A 70 10.841 -7.233 7.708 1.00 23.25 H new ATOM 0 HG1 THR A 70 9.561 -8.477 9.278 1.00 44.11 H new ATOM 0 HG21 THR A 70 8.775 -6.304 8.692 1.00 61.35 H new ATOM 0 HG22 THR A 70 9.013 -5.772 7.010 1.00 61.35 H new ATOM 0 HG23 THR A 70 7.827 -7.046 7.381 1.00 61.35 H new ATOM 1126 N VAL A 71 9.673 -6.868 3.955 1.00 50.33 N ATOM 1127 CA VAL A 71 10.022 -5.891 2.913 1.00 1.52 C ATOM 1128 C VAL A 71 9.454 -4.505 3.271 1.00 62.43 C ATOM 1129 O VAL A 71 8.238 -4.285 3.248 1.00 44.13 O ATOM 1130 CB VAL A 71 9.512 -6.338 1.493 1.00 15.23 C ATOM 1131 CG1 VAL A 71 9.944 -5.331 0.398 1.00 50.11 C ATOM 1132 CG2 VAL A 71 10.005 -7.765 1.149 1.00 71.51 C ATOM 0 H VAL A 71 8.803 -7.368 3.774 1.00 50.33 H new ATOM 0 HA VAL A 71 11.110 -5.834 2.868 1.00 1.52 H new ATOM 0 HB VAL A 71 8.423 -6.353 1.525 1.00 15.23 H new ATOM 0 HG11 VAL A 71 9.577 -5.668 -0.571 1.00 50.11 H new ATOM 0 HG12 VAL A 71 9.528 -4.349 0.622 1.00 50.11 H new ATOM 0 HG13 VAL A 71 11.032 -5.267 0.371 1.00 50.11 H new ATOM 0 HG21 VAL A 71 9.638 -8.049 0.163 1.00 71.51 H new ATOM 0 HG22 VAL A 71 11.095 -7.784 1.150 1.00 71.51 H new ATOM 0 HG23 VAL A 71 9.629 -8.469 1.892 1.00 71.51 H new ATOM 1142 N ASN A 72 10.362 -3.594 3.624 1.00 42.32 N ATOM 1143 CA ASN A 72 10.057 -2.197 3.950 1.00 41.14 C ATOM 1144 C ASN A 72 9.989 -1.390 2.640 1.00 14.41 C ATOM 1145 O ASN A 72 11.026 -1.122 2.015 1.00 4.11 O ATOM 1146 CB ASN A 72 11.158 -1.612 4.881 1.00 41.33 C ATOM 1147 CG ASN A 72 11.306 -2.301 6.249 1.00 61.25 C ATOM 1148 OD1 ASN A 72 11.585 -1.640 7.241 1.00 31.45 O ATOM 1149 ND2 ASN A 72 11.178 -3.626 6.328 1.00 71.33 N ATOM 0 H ASN A 72 11.356 -3.811 3.693 1.00 42.32 H new ATOM 0 HA ASN A 72 9.101 -2.139 4.471 1.00 41.14 H new ATOM 0 HB2 ASN A 72 12.115 -1.666 4.361 1.00 41.33 H new ATOM 0 HB3 ASN A 72 10.945 -0.556 5.047 1.00 41.33 H new ATOM 0 HD21 ASN A 72 11.313 -4.099 7.222 1.00 71.33 H new ATOM 0 HD22 ASN A 72 10.945 -4.166 5.495 1.00 71.33 H new ATOM 1156 N VAL A 73 8.771 -1.061 2.190 1.00 1.31 N ATOM 1157 CA VAL A 73 8.563 -0.303 0.942 1.00 21.31 C ATOM 1158 C VAL A 73 8.376 1.192 1.263 1.00 50.33 C ATOM 1159 O VAL A 73 7.323 1.613 1.754 1.00 3.23 O ATOM 1160 CB VAL A 73 7.335 -0.858 0.126 1.00 53.40 C ATOM 1161 CG1 VAL A 73 7.195 -0.151 -1.248 1.00 10.03 C ATOM 1162 CG2 VAL A 73 7.452 -2.387 -0.049 1.00 33.13 C ATOM 0 H VAL A 73 7.907 -1.308 2.673 1.00 1.31 H new ATOM 0 HA VAL A 73 9.448 -0.424 0.317 1.00 21.31 H new ATOM 0 HB VAL A 73 6.431 -0.642 0.695 1.00 53.40 H new ATOM 0 HG11 VAL A 73 6.337 -0.560 -1.782 1.00 10.03 H new ATOM 0 HG12 VAL A 73 7.050 0.918 -1.094 1.00 10.03 H new ATOM 0 HG13 VAL A 73 8.099 -0.314 -1.835 1.00 10.03 H new ATOM 0 HG21 VAL A 73 6.596 -2.755 -0.615 1.00 33.13 H new ATOM 0 HG22 VAL A 73 8.371 -2.622 -0.586 1.00 33.13 H new ATOM 0 HG23 VAL A 73 7.472 -2.865 0.930 1.00 33.13 H new ATOM 1172 N THR A 74 9.422 1.976 0.979 1.00 33.03 N ATOM 1173 CA THR A 74 9.460 3.420 1.220 1.00 35.34 C ATOM 1174 C THR A 74 8.845 4.163 0.019 1.00 71.22 C ATOM 1175 O THR A 74 9.458 4.255 -1.049 1.00 61.41 O ATOM 1176 CB THR A 74 10.937 3.876 1.436 1.00 43.43 C ATOM 1177 OG1 THR A 74 11.570 3.007 2.389 1.00 13.22 O ATOM 1178 CG2 THR A 74 11.045 5.334 1.918 1.00 5.13 C ATOM 0 H THR A 74 10.283 1.616 0.567 1.00 33.03 H new ATOM 0 HA THR A 74 8.882 3.655 2.114 1.00 35.34 H new ATOM 0 HB THR A 74 11.439 3.818 0.470 1.00 43.43 H new ATOM 0 HG1 THR A 74 12.498 3.291 2.525 1.00 13.22 H new ATOM 0 HG21 THR A 74 12.095 5.596 2.051 1.00 5.13 H new ATOM 0 HG22 THR A 74 10.597 5.996 1.177 1.00 5.13 H new ATOM 0 HG23 THR A 74 10.520 5.443 2.867 1.00 5.13 H new ATOM 1186 N VAL A 75 7.622 4.665 0.199 1.00 1.41 N ATOM 1187 CA VAL A 75 6.856 5.346 -0.855 1.00 72.40 C ATOM 1188 C VAL A 75 6.780 6.851 -0.556 1.00 45.25 C ATOM 1189 O VAL A 75 6.325 7.242 0.520 1.00 45.15 O ATOM 1190 CB VAL A 75 5.396 4.768 -0.958 1.00 64.44 C ATOM 1191 CG1 VAL A 75 4.622 5.412 -2.131 1.00 43.13 C ATOM 1192 CG2 VAL A 75 5.401 3.226 -1.067 1.00 53.11 C ATOM 0 H VAL A 75 7.127 4.611 1.089 1.00 1.41 H new ATOM 0 HA VAL A 75 7.367 5.179 -1.803 1.00 72.40 H new ATOM 0 HB VAL A 75 4.876 5.026 -0.035 1.00 64.44 H new ATOM 0 HG11 VAL A 75 3.617 4.993 -2.177 1.00 43.13 H new ATOM 0 HG12 VAL A 75 4.559 6.489 -1.978 1.00 43.13 H new ATOM 0 HG13 VAL A 75 5.143 5.208 -3.066 1.00 43.13 H new ATOM 0 HG21 VAL A 75 4.376 2.863 -1.136 1.00 53.11 H new ATOM 0 HG22 VAL A 75 5.953 2.926 -1.958 1.00 53.11 H new ATOM 0 HG23 VAL A 75 5.878 2.800 -0.184 1.00 53.11 H new ATOM 1202 N GLU A 76 7.234 7.684 -1.498 1.00 14.44 N ATOM 1203 CA GLU A 76 7.092 9.139 -1.420 1.00 4.30 C ATOM 1204 C GLU A 76 5.724 9.546 -1.983 1.00 44.01 C ATOM 1205 O GLU A 76 5.429 9.283 -3.158 1.00 52.31 O ATOM 1206 CB GLU A 76 8.212 9.840 -2.224 1.00 2.03 C ATOM 1207 CG GLU A 76 8.335 11.360 -1.963 1.00 33.10 C ATOM 1208 CD GLU A 76 8.743 11.671 -0.508 1.00 64.13 C ATOM 1209 OE1 GLU A 76 9.927 11.428 -0.156 1.00 73.23 O ATOM 1210 OE2 GLU A 76 7.892 12.136 0.292 1.00 3.11 O ATOM 0 H GLU A 76 7.713 7.365 -2.340 1.00 14.44 H new ATOM 0 HA GLU A 76 7.170 9.445 -0.377 1.00 4.30 H new ATOM 0 HB2 GLU A 76 9.164 9.365 -1.986 1.00 2.03 H new ATOM 0 HB3 GLU A 76 8.033 9.680 -3.287 1.00 2.03 H new ATOM 0 HG2 GLU A 76 9.072 11.785 -2.644 1.00 33.10 H new ATOM 0 HG3 GLU A 76 7.383 11.843 -2.182 1.00 33.10 H new ATOM 1217 N LEU A 77 4.884 10.143 -1.138 1.00 24.53 N ATOM 1218 CA LEU A 77 3.601 10.731 -1.550 1.00 2.00 C ATOM 1219 C LEU A 77 3.727 12.250 -1.526 1.00 11.23 C ATOM 1220 O LEU A 77 4.665 12.804 -0.945 1.00 4.35 O ATOM 1221 CB LEU A 77 2.401 10.296 -0.651 1.00 73.41 C ATOM 1222 CG LEU A 77 1.971 8.799 -0.727 1.00 23.33 C ATOM 1223 CD1 LEU A 77 3.036 7.857 -0.138 1.00 41.54 C ATOM 1224 CD2 LEU A 77 0.611 8.591 -0.042 1.00 14.04 C ATOM 0 H LEU A 77 5.072 10.235 -0.140 1.00 24.53 H new ATOM 0 HA LEU A 77 3.386 10.365 -2.554 1.00 2.00 H new ATOM 0 HB2 LEU A 77 2.652 10.525 0.385 1.00 73.41 H new ATOM 0 HB3 LEU A 77 1.540 10.910 -0.914 1.00 73.41 H new ATOM 0 HG LEU A 77 1.871 8.543 -1.782 1.00 23.33 H new ATOM 0 HD11 LEU A 77 2.691 6.826 -0.213 1.00 41.54 H new ATOM 0 HD12 LEU A 77 3.968 7.970 -0.692 1.00 41.54 H new ATOM 0 HD13 LEU A 77 3.204 8.108 0.909 1.00 41.54 H new ATOM 0 HD21 LEU A 77 0.328 7.540 -0.106 1.00 14.04 H new ATOM 0 HD22 LEU A 77 0.682 8.885 1.005 1.00 14.04 H new ATOM 0 HD23 LEU A 77 -0.144 9.200 -0.539 1.00 14.04 H new ATOM 1236 N GLU A 78 2.791 12.908 -2.195 1.00 24.04 N ATOM 1237 CA GLU A 78 2.683 14.359 -2.214 1.00 64.43 C ATOM 1238 C GLU A 78 1.191 14.700 -2.046 1.00 31.53 C ATOM 1239 O GLU A 78 0.401 14.537 -2.978 1.00 10.23 O ATOM 1240 CB GLU A 78 3.275 14.877 -3.548 1.00 52.33 C ATOM 1241 CG GLU A 78 3.565 16.373 -3.603 1.00 61.14 C ATOM 1242 CD GLU A 78 4.264 16.785 -4.909 1.00 23.21 C ATOM 1243 OE1 GLU A 78 5.515 16.777 -4.964 1.00 0.44 O ATOM 1244 OE2 GLU A 78 3.569 17.074 -5.907 1.00 1.31 O ATOM 0 H GLU A 78 2.074 12.440 -2.749 1.00 24.04 H new ATOM 0 HA GLU A 78 3.241 14.839 -1.410 1.00 64.43 H new ATOM 0 HB2 GLU A 78 4.201 14.338 -3.747 1.00 52.33 H new ATOM 0 HB3 GLU A 78 2.583 14.629 -4.353 1.00 52.33 H new ATOM 0 HG2 GLU A 78 2.631 16.926 -3.504 1.00 61.14 H new ATOM 0 HG3 GLU A 78 4.191 16.651 -2.755 1.00 61.14 H new ATOM 1251 N GLU A 79 0.818 15.109 -0.832 1.00 2.25 N ATOM 1252 CA GLU A 79 -0.578 15.324 -0.432 1.00 30.31 C ATOM 1253 C GLU A 79 -0.972 16.800 -0.625 1.00 62.52 C ATOM 1254 O GLU A 79 -0.503 17.681 0.108 1.00 41.51 O ATOM 1255 CB GLU A 79 -0.772 14.878 1.052 1.00 54.33 C ATOM 1256 CG GLU A 79 -0.313 13.428 1.337 1.00 54.13 C ATOM 1257 CD GLU A 79 -0.646 12.953 2.763 1.00 75.41 C ATOM 1258 OE1 GLU A 79 -1.743 12.390 2.971 1.00 15.00 O ATOM 1259 OE2 GLU A 79 0.181 13.156 3.679 1.00 15.24 O ATOM 0 H GLU A 79 1.486 15.304 -0.086 1.00 2.25 H new ATOM 0 HA GLU A 79 -1.231 14.722 -1.064 1.00 30.31 H new ATOM 0 HB2 GLU A 79 -0.219 15.558 1.700 1.00 54.33 H new ATOM 0 HB3 GLU A 79 -1.826 14.973 1.315 1.00 54.33 H new ATOM 0 HG2 GLU A 79 -0.784 12.757 0.619 1.00 54.13 H new ATOM 0 HG3 GLU A 79 0.763 13.358 1.180 1.00 54.13 H new ATOM 1266 N THR A 80 -1.783 17.062 -1.662 1.00 52.22 N ATOM 1267 CA THR A 80 -2.406 18.366 -1.898 1.00 21.54 C ATOM 1268 C THR A 80 -3.818 18.377 -1.264 1.00 60.13 C ATOM 1269 O THR A 80 -4.743 17.719 -1.767 1.00 52.04 O ATOM 1270 CB THR A 80 -2.490 18.690 -3.430 1.00 43.02 C ATOM 1271 OG1 THR A 80 -1.184 18.559 -4.013 1.00 43.10 O ATOM 1272 CG2 THR A 80 -3.017 20.119 -3.695 1.00 44.51 C ATOM 0 H THR A 80 -2.025 16.364 -2.366 1.00 52.22 H new ATOM 0 HA THR A 80 -1.790 19.137 -1.435 1.00 21.54 H new ATOM 0 HB THR A 80 -3.190 17.985 -3.879 1.00 43.02 H new ATOM 0 HG1 THR A 80 -1.232 18.759 -4.971 1.00 43.10 H new ATOM 0 HG21 THR A 80 -3.058 20.298 -4.769 1.00 44.51 H new ATOM 0 HG22 THR A 80 -4.016 20.223 -3.271 1.00 44.51 H new ATOM 0 HG23 THR A 80 -2.349 20.845 -3.231 1.00 44.51 H new ATOM 1280 N THR A 81 -3.957 19.096 -0.135 1.00 75.24 N ATOM 1281 CA THR A 81 -5.231 19.248 0.588 1.00 35.25 C ATOM 1282 C THR A 81 -5.454 20.736 0.939 1.00 1.41 C ATOM 1283 O THR A 81 -4.527 21.420 1.393 1.00 52.11 O ATOM 1284 CB THR A 81 -5.286 18.336 1.876 1.00 15.44 C ATOM 1285 OG1 THR A 81 -6.565 18.464 2.525 1.00 11.45 O ATOM 1286 CG2 THR A 81 -4.160 18.652 2.885 1.00 73.31 C ATOM 0 H THR A 81 -3.181 19.592 0.304 1.00 75.24 H new ATOM 0 HA THR A 81 -6.040 18.915 -0.063 1.00 35.25 H new ATOM 0 HB THR A 81 -5.140 17.311 1.537 1.00 15.44 H new ATOM 0 HG1 THR A 81 -6.587 17.892 3.321 1.00 11.45 H new ATOM 0 HG21 THR A 81 -4.250 17.993 3.749 1.00 73.31 H new ATOM 0 HG22 THR A 81 -3.191 18.497 2.410 1.00 73.31 H new ATOM 0 HG23 THR A 81 -4.243 19.689 3.209 1.00 73.31 H new ATOM 1294 N GLY A 82 -6.675 21.243 0.660 1.00 33.54 N ATOM 1295 CA GLY A 82 -7.035 22.649 0.924 1.00 74.24 C ATOM 1296 C GLY A 82 -6.284 23.662 0.051 1.00 42.25 C ATOM 1297 O GLY A 82 -6.320 24.867 0.332 1.00 45.53 O ATOM 0 H GLY A 82 -7.430 20.694 0.250 1.00 33.54 H new ATOM 0 HA2 GLY A 82 -8.106 22.774 0.767 1.00 74.24 H new ATOM 0 HA3 GLY A 82 -6.838 22.873 1.972 1.00 74.24 H new ATOM 1301 N GLY A 83 -5.616 23.177 -1.012 1.00 2.14 N ATOM 1302 CA GLY A 83 -4.816 24.024 -1.904 1.00 72.43 C ATOM 1303 C GLY A 83 -3.314 23.847 -1.701 1.00 24.15 C ATOM 1304 O GLY A 83 -2.549 23.969 -2.658 1.00 13.50 O ATOM 0 H GLY A 83 -5.618 22.191 -1.272 1.00 2.14 H new ATOM 0 HA2 GLY A 83 -5.068 23.792 -2.939 1.00 72.43 H new ATOM 0 HA3 GLY A 83 -5.079 25.069 -1.738 1.00 72.43 H new ATOM 1308 N THR A 84 -2.887 23.570 -0.446 1.00 73.32 N ATOM 1309 CA THR A 84 -1.452 23.437 -0.105 1.00 62.53 C ATOM 1310 C THR A 84 -0.946 22.015 -0.408 1.00 52.25 C ATOM 1311 O THR A 84 -1.714 21.049 -0.344 1.00 63.33 O ATOM 1312 CB THR A 84 -1.161 23.804 1.398 1.00 55.33 C ATOM 1313 OG1 THR A 84 0.257 23.868 1.619 1.00 75.31 O ATOM 1314 CG2 THR A 84 -1.774 22.800 2.401 1.00 34.22 C ATOM 0 H THR A 84 -3.516 23.435 0.346 1.00 73.32 H new ATOM 0 HA THR A 84 -0.913 24.149 -0.730 1.00 62.53 H new ATOM 0 HB THR A 84 -1.630 24.772 1.574 1.00 55.33 H new ATOM 0 HG1 THR A 84 0.432 24.098 2.555 1.00 75.31 H new ATOM 0 HG21 THR A 84 -1.537 23.111 3.418 1.00 34.22 H new ATOM 0 HG22 THR A 84 -2.856 22.773 2.273 1.00 34.22 H new ATOM 0 HG23 THR A 84 -1.362 21.807 2.220 1.00 34.22 H new ATOM 1322 N THR A 85 0.343 21.906 -0.742 1.00 11.30 N ATOM 1323 CA THR A 85 0.995 20.635 -1.089 1.00 21.11 C ATOM 1324 C THR A 85 2.126 20.331 -0.083 1.00 54.11 C ATOM 1325 O THR A 85 2.922 21.217 0.246 1.00 51.33 O ATOM 1326 CB THR A 85 1.562 20.711 -2.542 1.00 35.43 C ATOM 1327 OG1 THR A 85 0.492 20.992 -3.460 1.00 41.20 O ATOM 1328 CG2 THR A 85 2.263 19.422 -2.962 1.00 12.12 C ATOM 0 H THR A 85 0.973 22.707 -0.780 1.00 11.30 H new ATOM 0 HA THR A 85 0.262 19.830 -1.041 1.00 21.11 H new ATOM 0 HB THR A 85 2.304 21.510 -2.561 1.00 35.43 H new ATOM 0 HG1 THR A 85 -0.029 20.176 -3.615 1.00 41.20 H new ATOM 0 HG21 THR A 85 2.639 19.527 -3.980 1.00 12.12 H new ATOM 0 HG22 THR A 85 3.095 19.224 -2.287 1.00 12.12 H new ATOM 0 HG23 THR A 85 1.556 18.593 -2.920 1.00 12.12 H new ATOM 1336 N THR A 86 2.176 19.077 0.403 1.00 14.01 N ATOM 1337 CA THR A 86 3.180 18.596 1.369 1.00 70.44 C ATOM 1338 C THR A 86 3.642 17.182 0.961 1.00 53.24 C ATOM 1339 O THR A 86 2.815 16.278 0.862 1.00 5.53 O ATOM 1340 CB THR A 86 2.574 18.569 2.823 1.00 72.23 C ATOM 1341 OG1 THR A 86 2.240 19.909 3.232 1.00 52.32 O ATOM 1342 CG2 THR A 86 3.523 17.925 3.864 1.00 55.01 C ATOM 0 H THR A 86 1.507 18.357 0.130 1.00 14.01 H new ATOM 0 HA THR A 86 4.034 19.273 1.366 1.00 70.44 H new ATOM 0 HB THR A 86 1.679 17.948 2.784 1.00 72.23 H new ATOM 0 HG1 THR A 86 1.862 19.890 4.136 1.00 52.32 H new ATOM 0 HG21 THR A 86 3.048 17.936 4.845 1.00 55.01 H new ATOM 0 HG22 THR A 86 3.735 16.895 3.575 1.00 55.01 H new ATOM 0 HG23 THR A 86 4.455 18.489 3.905 1.00 55.01 H new ATOM 1350 N ASN A 87 4.958 16.998 0.731 1.00 42.24 N ATOM 1351 CA ASN A 87 5.536 15.666 0.458 1.00 12.42 C ATOM 1352 C ASN A 87 5.642 14.887 1.772 1.00 63.01 C ATOM 1353 O ASN A 87 6.301 15.334 2.719 1.00 12.24 O ATOM 1354 CB ASN A 87 6.934 15.775 -0.209 1.00 73.32 C ATOM 1355 CG ASN A 87 6.854 16.251 -1.653 1.00 20.04 C ATOM 1356 OD1 ASN A 87 6.902 17.448 -1.935 1.00 35.51 O ATOM 1357 ND2 ASN A 87 6.722 15.316 -2.583 1.00 71.02 N ATOM 0 H ASN A 87 5.641 17.756 0.729 1.00 42.24 H new ATOM 0 HA ASN A 87 4.881 15.141 -0.237 1.00 12.42 H new ATOM 0 HB2 ASN A 87 7.554 16.465 0.364 1.00 73.32 H new ATOM 0 HB3 ASN A 87 7.425 14.803 -0.177 1.00 73.32 H new ATOM 0 HD21 ASN A 87 6.657 15.580 -3.566 1.00 71.02 H new ATOM 0 HD22 ASN A 87 6.686 14.332 -2.316 1.00 71.02 H new ATOM 1364 N THR A 88 4.954 13.746 1.821 1.00 64.40 N ATOM 1365 CA THR A 88 4.886 12.886 3.000 1.00 11.01 C ATOM 1366 C THR A 88 5.209 11.444 2.600 1.00 64.33 C ATOM 1367 O THR A 88 4.547 10.872 1.731 1.00 14.34 O ATOM 1368 CB THR A 88 3.470 12.951 3.648 1.00 2.53 C ATOM 1369 OG1 THR A 88 3.109 14.317 3.906 1.00 24.34 O ATOM 1370 CG2 THR A 88 3.395 12.152 4.957 1.00 33.03 C ATOM 0 H THR A 88 4.420 13.389 1.029 1.00 64.40 H new ATOM 0 HA THR A 88 5.615 13.235 3.731 1.00 11.01 H new ATOM 0 HB THR A 88 2.772 12.504 2.940 1.00 2.53 H new ATOM 0 HG1 THR A 88 2.133 14.398 3.934 1.00 24.34 H new ATOM 0 HG21 THR A 88 2.390 12.227 5.372 1.00 33.03 H new ATOM 0 HG22 THR A 88 3.629 11.106 4.759 1.00 33.03 H new ATOM 0 HG23 THR A 88 4.113 12.555 5.671 1.00 33.03 H new ATOM 1378 N THR A 89 6.222 10.860 3.244 1.00 1.45 N ATOM 1379 CA THR A 89 6.653 9.492 2.967 1.00 55.33 C ATOM 1380 C THR A 89 5.841 8.512 3.831 1.00 62.22 C ATOM 1381 O THR A 89 5.713 8.717 5.034 1.00 64.13 O ATOM 1382 CB THR A 89 8.178 9.323 3.278 1.00 14.33 C ATOM 1383 OG1 THR A 89 8.903 10.437 2.740 1.00 51.24 O ATOM 1384 CG2 THR A 89 8.751 8.016 2.697 1.00 72.32 C ATOM 0 H THR A 89 6.765 11.324 3.972 1.00 1.45 H new ATOM 0 HA THR A 89 6.485 9.279 1.911 1.00 55.33 H new ATOM 0 HB THR A 89 8.288 9.281 4.362 1.00 14.33 H new ATOM 0 HG1 THR A 89 8.400 10.826 1.994 1.00 51.24 H new ATOM 0 HG21 THR A 89 9.811 7.944 2.939 1.00 72.32 H new ATOM 0 HG22 THR A 89 8.223 7.165 3.126 1.00 72.32 H new ATOM 0 HG23 THR A 89 8.625 8.013 1.614 1.00 72.32 H new ATOM 1392 N TYR A 90 5.255 7.485 3.210 1.00 44.42 N ATOM 1393 CA TYR A 90 4.651 6.343 3.915 1.00 32.33 C ATOM 1394 C TYR A 90 5.543 5.126 3.659 1.00 31.03 C ATOM 1395 O TYR A 90 5.814 4.804 2.501 1.00 43.11 O ATOM 1396 CB TYR A 90 3.212 6.065 3.389 1.00 54.34 C ATOM 1397 CG TYR A 90 2.160 7.138 3.728 1.00 31.45 C ATOM 1398 CD1 TYR A 90 2.268 8.443 3.244 1.00 53.24 C ATOM 1399 CD2 TYR A 90 1.059 6.836 4.531 1.00 73.43 C ATOM 1400 CE1 TYR A 90 1.315 9.402 3.539 1.00 64.41 C ATOM 1401 CE2 TYR A 90 0.104 7.786 4.827 1.00 63.50 C ATOM 1402 CZ TYR A 90 0.238 9.069 4.335 1.00 23.20 C ATOM 1403 OH TYR A 90 -0.709 10.018 4.646 1.00 22.42 O ATOM 0 H TYR A 90 5.184 7.419 2.195 1.00 44.42 H new ATOM 0 HA TYR A 90 4.576 6.557 4.981 1.00 32.33 H new ATOM 0 HB2 TYR A 90 3.256 5.954 2.306 1.00 54.34 H new ATOM 0 HB3 TYR A 90 2.875 5.111 3.794 1.00 54.34 H new ATOM 0 HD1 TYR A 90 3.113 8.710 2.626 1.00 53.24 H new ATOM 0 HD2 TYR A 90 0.953 5.838 4.929 1.00 73.43 H new ATOM 0 HE1 TYR A 90 1.413 10.404 3.149 1.00 64.41 H new ATOM 0 HE2 TYR A 90 -0.746 7.527 5.441 1.00 63.50 H new ATOM 0 HH TYR A 90 -0.925 10.539 3.845 1.00 22.42 H new ATOM 1413 N GLU A 91 6.005 4.454 4.720 1.00 61.22 N ATOM 1414 CA GLU A 91 6.803 3.232 4.595 1.00 63.35 C ATOM 1415 C GLU A 91 5.918 2.043 4.993 1.00 50.03 C ATOM 1416 O GLU A 91 5.617 1.855 6.181 1.00 55.35 O ATOM 1417 CB GLU A 91 8.070 3.289 5.491 1.00 71.42 C ATOM 1418 CG GLU A 91 9.144 2.245 5.104 1.00 72.25 C ATOM 1419 CD GLU A 91 9.917 1.669 6.297 1.00 11.43 C ATOM 1420 OE1 GLU A 91 9.425 0.704 6.918 1.00 63.32 O ATOM 1421 OE2 GLU A 91 11.010 2.178 6.627 1.00 61.14 O ATOM 0 H GLU A 91 5.837 4.741 5.684 1.00 61.22 H new ATOM 0 HA GLU A 91 7.144 3.125 3.565 1.00 63.35 H new ATOM 0 HB2 GLU A 91 8.505 4.287 5.429 1.00 71.42 H new ATOM 0 HB3 GLU A 91 7.779 3.132 6.530 1.00 71.42 H new ATOM 0 HG2 GLU A 91 8.663 1.427 4.567 1.00 72.25 H new ATOM 0 HG3 GLU A 91 9.852 2.706 4.415 1.00 72.25 H new ATOM 1428 N LEU A 92 5.463 1.282 3.996 1.00 0.51 N ATOM 1429 CA LEU A 92 4.578 0.135 4.199 1.00 44.32 C ATOM 1430 C LEU A 92 5.457 -1.099 4.376 1.00 44.33 C ATOM 1431 O LEU A 92 6.063 -1.591 3.418 1.00 54.44 O ATOM 1432 CB LEU A 92 3.586 -0.035 3.014 1.00 71.44 C ATOM 1433 CG LEU A 92 2.626 1.172 2.745 1.00 31.21 C ATOM 1434 CD1 LEU A 92 3.364 2.365 2.109 1.00 70.21 C ATOM 1435 CD2 LEU A 92 1.410 0.758 1.895 1.00 64.32 C ATOM 0 H LEU A 92 5.701 1.446 3.018 1.00 0.51 H new ATOM 0 HA LEU A 92 3.964 0.287 5.087 1.00 44.32 H new ATOM 0 HB2 LEU A 92 4.162 -0.225 2.108 1.00 71.44 H new ATOM 0 HB3 LEU A 92 2.980 -0.922 3.198 1.00 71.44 H new ATOM 0 HG LEU A 92 2.255 1.497 3.717 1.00 31.21 H new ATOM 0 HD11 LEU A 92 2.660 3.180 1.940 1.00 70.21 H new ATOM 0 HD12 LEU A 92 4.155 2.702 2.779 1.00 70.21 H new ATOM 0 HD13 LEU A 92 3.800 2.058 1.158 1.00 70.21 H new ATOM 0 HD21 LEU A 92 0.769 1.624 1.731 1.00 64.32 H new ATOM 0 HD22 LEU A 92 1.752 0.373 0.934 1.00 64.32 H new ATOM 0 HD23 LEU A 92 0.848 -0.016 2.417 1.00 64.32 H new ATOM 1447 N ARG A 93 5.552 -1.556 5.619 1.00 11.21 N ATOM 1448 CA ARG A 93 6.434 -2.644 6.019 1.00 35.34 C ATOM 1449 C ARG A 93 5.645 -3.967 5.973 1.00 64.01 C ATOM 1450 O ARG A 93 4.859 -4.265 6.881 1.00 44.11 O ATOM 1451 CB ARG A 93 6.998 -2.318 7.434 1.00 74.43 C ATOM 1452 CG ARG A 93 8.122 -3.247 7.928 1.00 21.10 C ATOM 1453 CD ARG A 93 8.785 -2.749 9.228 1.00 20.31 C ATOM 1454 NE ARG A 93 9.363 -1.398 9.058 1.00 35.15 N ATOM 1455 CZ ARG A 93 9.855 -0.617 10.034 1.00 64.35 C ATOM 1456 NH1 ARG A 93 9.874 -1.014 11.302 1.00 60.50 N ATOM 1457 NH2 ARG A 93 10.332 0.580 9.723 1.00 13.11 N ATOM 0 H ARG A 93 5.007 -1.173 6.391 1.00 11.21 H new ATOM 0 HA ARG A 93 7.281 -2.754 5.342 1.00 35.34 H new ATOM 0 HB2 ARG A 93 7.372 -1.294 7.430 1.00 74.43 H new ATOM 0 HB3 ARG A 93 6.178 -2.355 8.151 1.00 74.43 H new ATOM 0 HG2 ARG A 93 7.715 -4.245 8.093 1.00 21.10 H new ATOM 0 HG3 ARG A 93 8.881 -3.336 7.150 1.00 21.10 H new ATOM 0 HD2 ARG A 93 8.048 -2.732 10.031 1.00 20.31 H new ATOM 0 HD3 ARG A 93 9.568 -3.446 9.529 1.00 20.31 H new ATOM 0 HE ARG A 93 9.391 -1.024 8.109 1.00 35.15 H new ATOM 0 HH11 ARG A 93 9.509 -1.932 11.554 1.00 60.50 H new ATOM 0 HH12 ARG A 93 10.254 -0.400 12.023 1.00 60.50 H new ATOM 0 HH21 ARG A 93 10.322 0.897 8.753 1.00 13.11 H new ATOM 0 HH22 ARG A 93 10.709 1.184 10.453 1.00 13.11 H new ATOM 1471 N PHE A 94 5.828 -4.718 4.875 1.00 30.42 N ATOM 1472 CA PHE A 94 5.120 -5.979 4.609 1.00 33.22 C ATOM 1473 C PHE A 94 5.897 -7.157 5.208 1.00 14.33 C ATOM 1474 O PHE A 94 6.956 -7.529 4.695 1.00 23.12 O ATOM 1475 CB PHE A 94 4.952 -6.184 3.077 1.00 70.14 C ATOM 1476 CG PHE A 94 4.023 -5.176 2.416 1.00 4.01 C ATOM 1477 CD1 PHE A 94 4.511 -3.977 1.901 1.00 55.33 C ATOM 1478 CD2 PHE A 94 2.654 -5.428 2.317 1.00 21.31 C ATOM 1479 CE1 PHE A 94 3.664 -3.069 1.310 1.00 62.11 C ATOM 1480 CE2 PHE A 94 1.810 -4.515 1.727 1.00 74.25 C ATOM 1481 CZ PHE A 94 2.317 -3.334 1.224 1.00 63.33 C ATOM 0 H PHE A 94 6.483 -4.461 4.136 1.00 30.42 H new ATOM 0 HA PHE A 94 4.134 -5.931 5.072 1.00 33.22 H new ATOM 0 HB2 PHE A 94 5.932 -6.125 2.603 1.00 70.14 H new ATOM 0 HB3 PHE A 94 4.570 -7.189 2.895 1.00 70.14 H new ATOM 0 HD1 PHE A 94 5.567 -3.758 1.967 1.00 55.33 H new ATOM 0 HD2 PHE A 94 2.252 -6.351 2.708 1.00 21.31 H new ATOM 0 HE1 PHE A 94 4.058 -2.145 0.912 1.00 62.11 H new ATOM 0 HE2 PHE A 94 0.752 -4.722 1.658 1.00 74.25 H new ATOM 0 HZ PHE A 94 1.655 -2.617 0.762 1.00 63.33 H new ATOM 1491 N GLU A 95 5.366 -7.736 6.291 1.00 55.40 N ATOM 1492 CA GLU A 95 5.936 -8.926 6.925 1.00 43.42 C ATOM 1493 C GLU A 95 5.298 -10.171 6.306 1.00 51.15 C ATOM 1494 O GLU A 95 4.084 -10.399 6.453 1.00 61.22 O ATOM 1495 CB GLU A 95 5.733 -8.887 8.461 1.00 2.03 C ATOM 1496 CG GLU A 95 6.385 -10.071 9.220 1.00 35.32 C ATOM 1497 CD GLU A 95 6.469 -9.821 10.730 1.00 24.31 C ATOM 1498 OE1 GLU A 95 5.578 -10.265 11.479 1.00 2.35 O ATOM 1499 OE2 GLU A 95 7.411 -9.134 11.168 1.00 12.45 O ATOM 0 H GLU A 95 4.525 -7.389 6.753 1.00 55.40 H new ATOM 0 HA GLU A 95 7.011 -8.954 6.749 1.00 43.42 H new ATOM 0 HB2 GLU A 95 6.143 -7.953 8.846 1.00 2.03 H new ATOM 0 HB3 GLU A 95 4.664 -8.878 8.675 1.00 2.03 H new ATOM 0 HG2 GLU A 95 5.809 -10.978 9.036 1.00 35.32 H new ATOM 0 HG3 GLU A 95 7.387 -10.244 8.827 1.00 35.32 H new ATOM 1506 N VAL A 96 6.123 -10.957 5.598 1.00 0.55 N ATOM 1507 CA VAL A 96 5.671 -12.152 4.876 1.00 1.31 C ATOM 1508 C VAL A 96 5.606 -13.332 5.851 1.00 22.01 C ATOM 1509 O VAL A 96 6.364 -13.386 6.832 1.00 52.45 O ATOM 1510 CB VAL A 96 6.594 -12.497 3.639 1.00 1.11 C ATOM 1511 CG1 VAL A 96 6.862 -11.231 2.794 1.00 32.44 C ATOM 1512 CG2 VAL A 96 7.924 -13.183 4.047 1.00 43.22 C ATOM 0 H VAL A 96 7.124 -10.780 5.511 1.00 0.55 H new ATOM 0 HA VAL A 96 4.679 -11.949 4.472 1.00 1.31 H new ATOM 0 HB VAL A 96 6.050 -13.221 3.033 1.00 1.11 H new ATOM 0 HG11 VAL A 96 7.499 -11.487 1.947 1.00 32.44 H new ATOM 0 HG12 VAL A 96 5.916 -10.830 2.429 1.00 32.44 H new ATOM 0 HG13 VAL A 96 7.360 -10.482 3.409 1.00 32.44 H new ATOM 0 HG21 VAL A 96 8.513 -13.394 3.155 1.00 43.22 H new ATOM 0 HG22 VAL A 96 8.487 -12.522 4.706 1.00 43.22 H new ATOM 0 HG23 VAL A 96 7.707 -14.116 4.568 1.00 43.22 H new ATOM 1522 N ASP A 97 4.678 -14.242 5.595 1.00 30.21 N ATOM 1523 CA ASP A 97 4.421 -15.410 6.437 1.00 11.11 C ATOM 1524 C ASP A 97 4.098 -16.599 5.519 1.00 64.35 C ATOM 1525 O ASP A 97 2.966 -16.735 5.033 1.00 74.20 O ATOM 1526 CB ASP A 97 3.264 -15.085 7.413 1.00 32.35 C ATOM 1527 CG ASP A 97 2.944 -16.237 8.374 1.00 52.03 C ATOM 1528 OD1 ASP A 97 3.724 -16.458 9.323 1.00 64.32 O ATOM 1529 OD2 ASP A 97 1.912 -16.925 8.196 1.00 13.44 O ATOM 0 H ASP A 97 4.067 -14.192 4.780 1.00 30.21 H new ATOM 0 HA ASP A 97 5.290 -15.671 7.040 1.00 11.11 H new ATOM 0 HB2 ASP A 97 3.523 -14.199 7.992 1.00 32.35 H new ATOM 0 HB3 ASP A 97 2.370 -14.840 6.839 1.00 32.35 H new ATOM 1534 N GLY A 98 5.127 -17.418 5.240 1.00 21.22 N ATOM 1535 CA GLY A 98 5.033 -18.507 4.272 1.00 71.34 C ATOM 1536 C GLY A 98 5.118 -17.986 2.835 1.00 73.43 C ATOM 1537 O GLY A 98 6.070 -17.278 2.490 1.00 70.22 O ATOM 0 H GLY A 98 6.043 -17.338 5.682 1.00 21.22 H new ATOM 0 HA2 GLY A 98 5.835 -19.223 4.449 1.00 71.34 H new ATOM 0 HA3 GLY A 98 4.093 -19.040 4.412 1.00 71.34 H new ATOM 1541 N ASP A 99 4.106 -18.302 2.014 1.00 54.31 N ATOM 1542 CA ASP A 99 4.058 -17.908 0.584 1.00 74.30 C ATOM 1543 C ASP A 99 3.371 -16.536 0.392 1.00 32.30 C ATOM 1544 O ASP A 99 3.620 -15.842 -0.603 1.00 44.44 O ATOM 1545 CB ASP A 99 3.304 -19.017 -0.207 1.00 61.12 C ATOM 1546 CG ASP A 99 3.161 -18.731 -1.717 1.00 45.13 C ATOM 1547 OD1 ASP A 99 4.115 -19.002 -2.479 1.00 2.52 O ATOM 1548 OD2 ASP A 99 2.088 -18.257 -2.155 1.00 23.33 O ATOM 0 H ASP A 99 3.293 -18.839 2.316 1.00 54.31 H new ATOM 0 HA ASP A 99 5.076 -17.805 0.208 1.00 74.30 H new ATOM 0 HB2 ASP A 99 3.830 -19.963 -0.076 1.00 61.12 H new ATOM 0 HB3 ASP A 99 2.310 -19.143 0.223 1.00 61.12 H new ATOM 1553 N THR A 100 2.560 -16.126 1.378 1.00 54.21 N ATOM 1554 CA THR A 100 1.724 -14.912 1.289 1.00 75.53 C ATOM 1555 C THR A 100 2.058 -13.935 2.427 1.00 34.33 C ATOM 1556 O THR A 100 2.604 -14.328 3.464 1.00 42.34 O ATOM 1557 CB THR A 100 0.200 -15.289 1.318 1.00 11.12 C ATOM 1558 OG1 THR A 100 -0.620 -14.114 1.194 1.00 55.41 O ATOM 1559 CG2 THR A 100 -0.184 -16.058 2.596 1.00 65.43 C ATOM 0 H THR A 100 2.463 -16.625 2.262 1.00 54.21 H new ATOM 0 HA THR A 100 1.940 -14.419 0.341 1.00 75.53 H new ATOM 0 HB THR A 100 0.022 -15.945 0.466 1.00 11.12 H new ATOM 0 HG1 THR A 100 -0.169 -13.460 0.620 1.00 55.41 H new ATOM 0 HG21 THR A 100 -1.247 -16.297 2.571 1.00 65.43 H new ATOM 0 HG22 THR A 100 0.394 -16.980 2.653 1.00 65.43 H new ATOM 0 HG23 THR A 100 0.029 -15.442 3.469 1.00 65.43 H new ATOM 1567 N ILE A 101 1.736 -12.653 2.209 1.00 72.20 N ATOM 1568 CA ILE A 101 1.938 -11.588 3.193 1.00 12.04 C ATOM 1569 C ILE A 101 0.664 -11.463 4.055 1.00 2.11 C ATOM 1570 O ILE A 101 -0.416 -11.148 3.540 1.00 22.12 O ATOM 1571 CB ILE A 101 2.268 -10.209 2.499 1.00 44.43 C ATOM 1572 CG1 ILE A 101 3.390 -10.386 1.423 1.00 55.25 C ATOM 1573 CG2 ILE A 101 2.667 -9.141 3.553 1.00 3.43 C ATOM 1574 CD1 ILE A 101 3.756 -9.124 0.648 1.00 33.31 C ATOM 0 H ILE A 101 1.324 -12.326 1.335 1.00 72.20 H new ATOM 0 HA ILE A 101 2.792 -11.845 3.819 1.00 12.04 H new ATOM 0 HB ILE A 101 1.369 -9.858 1.993 1.00 44.43 H new ATOM 0 HG12 ILE A 101 4.286 -10.763 1.916 1.00 55.25 H new ATOM 0 HG13 ILE A 101 3.072 -11.149 0.713 1.00 55.25 H new ATOM 0 HG21 ILE A 101 2.890 -8.200 3.051 1.00 3.43 H new ATOM 0 HG22 ILE A 101 1.843 -8.994 4.251 1.00 3.43 H new ATOM 0 HG23 ILE A 101 3.549 -9.479 4.098 1.00 3.43 H new ATOM 0 HD11 ILE A 101 4.542 -9.354 -0.072 1.00 33.31 H new ATOM 0 HD12 ILE A 101 2.877 -8.754 0.120 1.00 33.31 H new ATOM 0 HD13 ILE A 101 4.111 -8.361 1.341 1.00 33.31 H new ATOM 1586 N ARG A 102 0.795 -11.755 5.353 1.00 31.13 N ATOM 1587 CA ARG A 102 -0.320 -11.678 6.326 1.00 54.42 C ATOM 1588 C ARG A 102 -0.413 -10.276 6.952 1.00 45.54 C ATOM 1589 O ARG A 102 -1.492 -9.848 7.379 1.00 44.22 O ATOM 1590 CB ARG A 102 -0.123 -12.730 7.461 1.00 72.01 C ATOM 1591 CG ARG A 102 -0.222 -14.204 7.023 1.00 71.50 C ATOM 1592 CD ARG A 102 -1.626 -14.615 6.566 1.00 61.41 C ATOM 1593 NE ARG A 102 -1.709 -16.055 6.260 1.00 52.34 N ATOM 1594 CZ ARG A 102 -2.441 -16.603 5.281 1.00 75.44 C ATOM 1595 NH1 ARG A 102 -3.182 -15.851 4.469 1.00 13.20 N ATOM 1596 NH2 ARG A 102 -2.438 -17.917 5.129 1.00 5.22 N ATOM 0 H ARG A 102 1.677 -12.053 5.768 1.00 31.13 H new ATOM 0 HA ARG A 102 -1.244 -11.887 5.786 1.00 54.42 H new ATOM 0 HB2 ARG A 102 0.854 -12.569 7.916 1.00 72.01 H new ATOM 0 HB3 ARG A 102 -0.869 -12.548 8.235 1.00 72.01 H new ATOM 0 HG2 ARG A 102 0.482 -14.381 6.210 1.00 71.50 H new ATOM 0 HG3 ARG A 102 0.082 -14.842 7.853 1.00 71.50 H new ATOM 0 HD2 ARG A 102 -2.347 -14.368 7.345 1.00 61.41 H new ATOM 0 HD3 ARG A 102 -1.902 -14.040 5.682 1.00 61.41 H new ATOM 0 HE ARG A 102 -1.162 -16.688 6.844 1.00 52.34 H new ATOM 0 HH11 ARG A 102 -3.199 -14.838 4.586 1.00 13.20 H new ATOM 0 HH12 ARG A 102 -3.732 -16.288 3.730 1.00 13.20 H new ATOM 0 HH21 ARG A 102 -1.882 -18.501 5.754 1.00 5.22 H new ATOM 0 HH22 ARG A 102 -2.991 -18.346 4.387 1.00 5.22 H new ATOM 1610 N ARG A 103 0.737 -9.580 7.031 1.00 4.00 N ATOM 1611 CA ARG A 103 0.904 -8.399 7.907 1.00 65.53 C ATOM 1612 C ARG A 103 1.518 -7.221 7.131 1.00 40.33 C ATOM 1613 O ARG A 103 2.467 -7.408 6.368 1.00 65.51 O ATOM 1614 CB ARG A 103 1.828 -8.793 9.108 1.00 55.55 C ATOM 1615 CG ARG A 103 1.387 -10.088 9.846 1.00 13.30 C ATOM 1616 CD ARG A 103 2.450 -10.651 10.810 1.00 60.13 C ATOM 1617 NE ARG A 103 2.224 -12.088 11.077 1.00 75.52 N ATOM 1618 CZ ARG A 103 3.131 -13.069 10.905 1.00 33.15 C ATOM 1619 NH1 ARG A 103 4.363 -12.799 10.476 1.00 14.24 N ATOM 1620 NH2 ARG A 103 2.793 -14.324 11.158 1.00 15.34 N ATOM 0 H ARG A 103 1.572 -9.816 6.495 1.00 4.00 H new ATOM 0 HA ARG A 103 -0.072 -8.083 8.274 1.00 65.53 H new ATOM 0 HB2 ARG A 103 2.846 -8.924 8.742 1.00 55.55 H new ATOM 0 HB3 ARG A 103 1.850 -7.970 9.822 1.00 55.55 H new ATOM 0 HG2 ARG A 103 0.475 -9.882 10.407 1.00 13.30 H new ATOM 0 HG3 ARG A 103 1.141 -10.850 9.106 1.00 13.30 H new ATOM 0 HD2 ARG A 103 3.443 -10.510 10.383 1.00 60.13 H new ATOM 0 HD3 ARG A 103 2.424 -10.096 11.748 1.00 60.13 H new ATOM 0 HE ARG A 103 1.303 -12.359 11.421 1.00 75.52 H new ATOM 0 HH11 ARG A 103 4.633 -11.837 10.272 1.00 14.24 H new ATOM 0 HH12 ARG A 103 5.037 -13.555 10.352 1.00 14.24 H new ATOM 0 HH21 ARG A 103 1.851 -14.543 11.481 1.00 15.34 H new ATOM 0 HH22 ARG A 103 3.475 -15.072 11.030 1.00 15.34 H new ATOM 1634 N VAL A 104 0.960 -6.019 7.338 1.00 71.05 N ATOM 1635 CA VAL A 104 1.507 -4.749 6.822 1.00 73.15 C ATOM 1636 C VAL A 104 1.402 -3.673 7.922 1.00 30.32 C ATOM 1637 O VAL A 104 0.437 -3.663 8.701 1.00 24.21 O ATOM 1638 CB VAL A 104 0.760 -4.269 5.512 1.00 12.23 C ATOM 1639 CG1 VAL A 104 -0.756 -4.050 5.744 1.00 60.52 C ATOM 1640 CG2 VAL A 104 1.417 -2.992 4.916 1.00 11.24 C ATOM 0 H VAL A 104 0.103 -5.897 7.877 1.00 71.05 H new ATOM 0 HA VAL A 104 2.551 -4.910 6.553 1.00 73.15 H new ATOM 0 HB VAL A 104 0.863 -5.075 4.786 1.00 12.23 H new ATOM 0 HG11 VAL A 104 -1.222 -3.721 4.815 1.00 60.52 H new ATOM 0 HG12 VAL A 104 -1.213 -4.985 6.069 1.00 60.52 H new ATOM 0 HG13 VAL A 104 -0.901 -3.290 6.511 1.00 60.52 H new ATOM 0 HG21 VAL A 104 0.878 -2.691 4.018 1.00 11.24 H new ATOM 0 HG22 VAL A 104 1.378 -2.187 5.649 1.00 11.24 H new ATOM 0 HG23 VAL A 104 2.456 -3.202 4.663 1.00 11.24 H new ATOM 1650 N THR A 105 2.408 -2.794 8.011 1.00 60.53 N ATOM 1651 CA THR A 105 2.373 -1.624 8.897 1.00 4.42 C ATOM 1652 C THR A 105 2.705 -0.378 8.062 1.00 11.21 C ATOM 1653 O THR A 105 3.863 -0.162 7.685 1.00 23.20 O ATOM 1654 CB THR A 105 3.377 -1.791 10.094 1.00 62.42 C ATOM 1655 OG1 THR A 105 3.117 -3.039 10.771 1.00 15.32 O ATOM 1656 CG2 THR A 105 3.277 -0.629 11.108 1.00 23.04 C ATOM 0 H THR A 105 3.269 -2.874 7.471 1.00 60.53 H new ATOM 0 HA THR A 105 1.379 -1.520 9.333 1.00 4.42 H new ATOM 0 HB THR A 105 4.385 -1.784 9.680 1.00 62.42 H new ATOM 0 HG1 THR A 105 3.744 -3.144 11.516 1.00 15.32 H new ATOM 0 HG21 THR A 105 3.990 -0.789 11.917 1.00 23.04 H new ATOM 0 HG22 THR A 105 3.503 0.312 10.606 1.00 23.04 H new ATOM 0 HG23 THR A 105 2.267 -0.589 11.517 1.00 23.04 H new ATOM 1664 N VAL A 106 1.672 0.428 7.768 1.00 24.11 N ATOM 1665 CA VAL A 106 1.807 1.648 6.960 1.00 50.01 C ATOM 1666 C VAL A 106 2.225 2.792 7.898 1.00 25.10 C ATOM 1667 O VAL A 106 1.412 3.287 8.681 1.00 63.22 O ATOM 1668 CB VAL A 106 0.454 2.007 6.227 1.00 51.11 C ATOM 1669 CG1 VAL A 106 0.623 3.234 5.293 1.00 4.23 C ATOM 1670 CG2 VAL A 106 -0.102 0.783 5.452 1.00 15.33 C ATOM 0 H VAL A 106 0.719 0.251 8.085 1.00 24.11 H new ATOM 0 HA VAL A 106 2.559 1.491 6.186 1.00 50.01 H new ATOM 0 HB VAL A 106 -0.274 2.277 6.992 1.00 51.11 H new ATOM 0 HG11 VAL A 106 -0.327 3.453 4.805 1.00 4.23 H new ATOM 0 HG12 VAL A 106 0.937 4.097 5.880 1.00 4.23 H new ATOM 0 HG13 VAL A 106 1.377 3.015 4.537 1.00 4.23 H new ATOM 0 HG21 VAL A 106 -1.033 1.058 4.957 1.00 15.33 H new ATOM 0 HG22 VAL A 106 0.625 0.464 4.705 1.00 15.33 H new ATOM 0 HG23 VAL A 106 -0.289 -0.034 6.148 1.00 15.33 H new ATOM 1680 N THR A 107 3.505 3.172 7.845 1.00 42.23 N ATOM 1681 CA THR A 107 4.084 4.148 8.771 1.00 22.13 C ATOM 1682 C THR A 107 4.265 5.501 8.062 1.00 12.22 C ATOM 1683 O THR A 107 5.181 5.663 7.247 1.00 50.24 O ATOM 1684 CB THR A 107 5.456 3.622 9.307 1.00 43.11 C ATOM 1685 OG1 THR A 107 5.314 2.246 9.721 1.00 3.02 O ATOM 1686 CG2 THR A 107 5.976 4.466 10.490 1.00 44.22 C ATOM 0 H THR A 107 4.168 2.811 7.159 1.00 42.23 H new ATOM 0 HA THR A 107 3.409 4.287 9.616 1.00 22.13 H new ATOM 0 HB THR A 107 6.183 3.701 8.499 1.00 43.11 H new ATOM 0 HG1 THR A 107 6.173 1.915 10.055 1.00 3.02 H new ATOM 0 HG21 THR A 107 6.931 4.066 10.831 1.00 44.22 H new ATOM 0 HG22 THR A 107 6.110 5.499 10.169 1.00 44.22 H new ATOM 0 HG23 THR A 107 5.255 4.430 11.307 1.00 44.22 H new ATOM 1694 N GLN A 108 3.383 6.466 8.369 1.00 1.24 N ATOM 1695 CA GLN A 108 3.477 7.835 7.850 1.00 61.24 C ATOM 1696 C GLN A 108 4.648 8.549 8.558 1.00 34.40 C ATOM 1697 O GLN A 108 4.518 8.978 9.711 1.00 2.42 O ATOM 1698 CB GLN A 108 2.136 8.582 8.070 1.00 1.43 C ATOM 1699 CG GLN A 108 2.083 9.989 7.438 1.00 11.21 C ATOM 1700 CD GLN A 108 0.806 10.762 7.750 1.00 71.34 C ATOM 1701 OE1 GLN A 108 0.219 10.598 8.817 1.00 22.30 O ATOM 1702 NE2 GLN A 108 0.355 11.600 6.824 1.00 25.43 N ATOM 0 H GLN A 108 2.584 6.316 8.985 1.00 1.24 H new ATOM 0 HA GLN A 108 3.668 7.822 6.777 1.00 61.24 H new ATOM 0 HB2 GLN A 108 1.326 7.980 7.657 1.00 1.43 H new ATOM 0 HB3 GLN A 108 1.954 8.670 9.141 1.00 1.43 H new ATOM 0 HG2 GLN A 108 2.939 10.566 7.788 1.00 11.21 H new ATOM 0 HG3 GLN A 108 2.183 9.894 6.357 1.00 11.21 H new ATOM 0 HE21 GLN A 108 0.865 11.714 5.948 1.00 25.43 H new ATOM 0 HE22 GLN A 108 -0.501 12.129 6.989 1.00 25.43 H new ATOM 1711 N ASN A 109 5.805 8.589 7.871 1.00 52.43 N ATOM 1712 CA ASN A 109 7.076 9.125 8.396 1.00 62.32 C ATOM 1713 C ASN A 109 6.961 10.616 8.781 1.00 40.23 C ATOM 1714 O ASN A 109 6.410 11.433 8.027 1.00 23.33 O ATOM 1715 CB ASN A 109 8.216 8.905 7.363 1.00 2.34 C ATOM 1716 CG ASN A 109 8.490 7.421 7.096 1.00 61.30 C ATOM 1717 OD1 ASN A 109 9.293 6.798 7.780 1.00 23.13 O ATOM 1718 ND2 ASN A 109 7.819 6.831 6.120 1.00 13.52 N ATOM 0 H ASN A 109 5.884 8.242 6.915 1.00 52.43 H new ATOM 0 HA ASN A 109 7.315 8.579 9.309 1.00 62.32 H new ATOM 0 HB2 ASN A 109 7.953 9.396 6.426 1.00 2.34 H new ATOM 0 HB3 ASN A 109 9.127 9.379 7.727 1.00 2.34 H new ATOM 0 HD21 ASN A 109 7.966 5.840 5.926 1.00 13.52 H new ATOM 0 HD22 ASN A 109 7.155 7.367 5.561 1.00 13.52 H new ATOM 1725 N GLY A 110 7.485 10.927 9.972 1.00 23.24 N ATOM 1726 CA GLY A 110 7.376 12.237 10.606 1.00 40.30 C ATOM 1727 C GLY A 110 7.740 12.125 12.084 1.00 1.40 C ATOM 1728 O GLY A 110 8.685 11.404 12.425 1.00 52.42 O ATOM 0 H GLY A 110 8.009 10.255 10.532 1.00 23.24 H new ATOM 0 HA2 GLY A 110 8.038 12.947 10.111 1.00 40.30 H new ATOM 0 HA3 GLY A 110 6.361 12.620 10.499 1.00 40.30 H new ATOM 1732 N GLY A 111 6.989 12.817 12.963 1.00 74.40 N ATOM 1733 CA GLY A 111 7.206 12.745 14.418 1.00 33.11 C ATOM 1734 C GLY A 111 8.328 13.670 14.884 1.00 31.34 C ATOM 1735 O GLY A 111 8.088 14.622 15.642 1.00 44.22 O ATOM 0 H GLY A 111 6.225 13.434 12.688 1.00 74.40 H new ATOM 0 HA2 GLY A 111 6.283 13.009 14.934 1.00 33.11 H new ATOM 0 HA3 GLY A 111 7.445 11.719 14.697 1.00 33.11 H new ATOM 1739 N SER A 112 9.548 13.400 14.400 1.00 71.02 N ATOM 1740 CA SER A 112 10.748 14.186 14.708 1.00 21.35 C ATOM 1741 C SER A 112 11.575 14.403 13.429 1.00 75.25 C ATOM 1742 O SER A 112 11.655 13.519 12.565 1.00 2.44 O ATOM 1743 CB SER A 112 11.597 13.457 15.779 1.00 51.02 C ATOM 1744 OG SER A 112 12.751 14.201 16.138 1.00 4.35 O ATOM 0 H SER A 112 9.731 12.616 13.773 1.00 71.02 H new ATOM 0 HA SER A 112 10.447 15.157 15.101 1.00 21.35 H new ATOM 0 HB2 SER A 112 10.989 13.281 16.666 1.00 51.02 H new ATOM 0 HB3 SER A 112 11.898 12.480 15.400 1.00 51.02 H new ATOM 0 HG SER A 112 13.552 13.737 15.816 1.00 4.35 H new ATOM 1750 N LEU A 113 12.186 15.594 13.329 1.00 70.22 N ATOM 1751 CA LEU A 113 13.103 15.958 12.231 1.00 35.12 C ATOM 1752 C LEU A 113 14.562 15.612 12.600 1.00 71.13 C ATOM 1753 O LEU A 113 15.456 15.661 11.744 1.00 60.12 O ATOM 1754 CB LEU A 113 12.972 17.474 11.912 1.00 53.13 C ATOM 1755 CG LEU A 113 11.558 17.956 11.459 1.00 63.00 C ATOM 1756 CD1 LEU A 113 11.523 19.486 11.249 1.00 13.30 C ATOM 1757 CD2 LEU A 113 11.083 17.199 10.194 1.00 63.14 C ATOM 0 H LEU A 113 12.058 16.340 14.013 1.00 70.22 H new ATOM 0 HA LEU A 113 12.830 15.384 11.346 1.00 35.12 H new ATOM 0 HB2 LEU A 113 13.260 18.038 12.799 1.00 53.13 H new ATOM 0 HB3 LEU A 113 13.688 17.724 11.129 1.00 53.13 H new ATOM 0 HG LEU A 113 10.859 17.722 12.262 1.00 63.00 H new ATOM 0 HD11 LEU A 113 10.524 19.787 10.934 1.00 13.30 H new ATOM 0 HD12 LEU A 113 11.776 19.987 12.183 1.00 13.30 H new ATOM 0 HD13 LEU A 113 12.245 19.764 10.481 1.00 13.30 H new ATOM 0 HD21 LEU A 113 10.095 17.558 9.905 1.00 63.14 H new ATOM 0 HD22 LEU A 113 11.786 17.374 9.380 1.00 63.14 H new ATOM 0 HD23 LEU A 113 11.033 16.131 10.406 1.00 63.14 H new ATOM 1769 N GLU A 114 14.798 15.275 13.877 1.00 73.40 N ATOM 1770 CA GLU A 114 16.132 14.929 14.395 1.00 72.31 C ATOM 1771 C GLU A 114 16.135 13.432 14.760 1.00 23.44 C ATOM 1772 O GLU A 114 15.119 12.898 15.222 1.00 60.14 O ATOM 1773 CB GLU A 114 16.475 15.826 15.636 1.00 51.11 C ATOM 1774 CG GLU A 114 17.972 16.222 15.780 1.00 21.32 C ATOM 1775 CD GLU A 114 18.936 15.041 16.016 1.00 31.23 C ATOM 1776 OE1 GLU A 114 19.640 14.604 15.068 1.00 12.04 O ATOM 1777 OE2 GLU A 114 18.973 14.532 17.151 1.00 62.04 O ATOM 0 H GLU A 114 14.064 15.234 14.584 1.00 73.40 H new ATOM 0 HA GLU A 114 16.897 15.113 13.641 1.00 72.31 H new ATOM 0 HB2 GLU A 114 15.880 16.737 15.580 1.00 51.11 H new ATOM 0 HB3 GLU A 114 16.168 15.299 16.540 1.00 51.11 H new ATOM 0 HG2 GLU A 114 18.281 16.750 14.878 1.00 21.32 H new ATOM 0 HG3 GLU A 114 18.069 16.923 16.609 1.00 21.32 H new ATOM 1784 N HIS A 115 17.272 12.767 14.533 1.00 14.44 N ATOM 1785 CA HIS A 115 17.465 11.337 14.828 1.00 74.24 C ATOM 1786 C HIS A 115 18.429 11.208 16.011 1.00 53.30 C ATOM 1787 O HIS A 115 19.563 11.684 15.923 1.00 21.22 O ATOM 1788 CB HIS A 115 18.029 10.604 13.578 1.00 11.42 C ATOM 1789 CG HIS A 115 17.103 10.631 12.394 1.00 42.35 C ATOM 1790 ND1 HIS A 115 16.390 9.535 11.975 1.00 63.12 N ATOM 1791 CD2 HIS A 115 16.765 11.635 11.546 1.00 13.55 C ATOM 1792 CE1 HIS A 115 15.658 9.858 10.932 1.00 1.30 C ATOM 1793 NE2 HIS A 115 15.869 11.126 10.653 1.00 33.24 N ATOM 0 H HIS A 115 18.099 13.211 14.133 1.00 14.44 H new ATOM 0 HA HIS A 115 16.511 10.877 15.085 1.00 74.24 H new ATOM 0 HB2 HIS A 115 18.978 11.061 13.297 1.00 11.42 H new ATOM 0 HB3 HIS A 115 18.240 9.567 13.840 1.00 11.42 H new ATOM 0 HD2 HIS A 115 17.137 12.649 11.573 1.00 13.55 H new ATOM 0 HE1 HIS A 115 14.996 9.195 10.395 1.00 1.30 H new ATOM 0 HE2 HIS A 115 15.433 11.645 9.891 1.00 33.24 H new ATOM 1802 N HIS A 116 17.967 10.576 17.115 1.00 70.21 N ATOM 1803 CA HIS A 116 18.751 10.450 18.363 1.00 23.10 C ATOM 1804 C HIS A 116 20.008 9.574 18.144 1.00 22.15 C ATOM 1805 O HIS A 116 19.971 8.342 18.241 1.00 24.30 O ATOM 1806 CB HIS A 116 17.870 9.937 19.554 1.00 75.10 C ATOM 1807 CG HIS A 116 17.208 8.592 19.365 1.00 14.01 C ATOM 1808 ND1 HIS A 116 17.819 7.400 19.703 1.00 43.44 N ATOM 1809 CD2 HIS A 116 15.991 8.255 18.883 1.00 32.45 C ATOM 1810 CE1 HIS A 116 17.010 6.402 19.438 1.00 2.52 C ATOM 1811 NE2 HIS A 116 15.894 6.893 18.941 1.00 44.45 N ATOM 0 H HIS A 116 17.045 10.142 17.165 1.00 70.21 H new ATOM 0 HA HIS A 116 19.096 11.446 18.641 1.00 23.10 H new ATOM 0 HB2 HIS A 116 18.495 9.889 20.446 1.00 75.10 H new ATOM 0 HB3 HIS A 116 17.093 10.677 19.749 1.00 75.10 H new ATOM 0 HD2 HIS A 116 15.235 8.936 18.519 1.00 32.45 H new ATOM 0 HE1 HIS A 116 17.223 5.356 19.600 1.00 2.52 H new ATOM 0 HE2 HIS A 116 15.086 6.344 18.646 1.00 44.45 H new ATOM 1820 N HIS A 117 21.105 10.244 17.763 1.00 1.41 N ATOM 1821 CA HIS A 117 22.422 9.623 17.618 1.00 15.15 C ATOM 1822 C HIS A 117 22.960 9.271 19.010 1.00 72.23 C ATOM 1823 O HIS A 117 23.110 10.153 19.860 1.00 22.43 O ATOM 1824 CB HIS A 117 23.390 10.574 16.864 1.00 42.30 C ATOM 1825 CG HIS A 117 22.995 10.831 15.433 1.00 44.53 C ATOM 1826 ND1 HIS A 117 22.301 11.952 15.027 1.00 51.31 N ATOM 1827 CD2 HIS A 117 23.234 10.116 14.305 1.00 23.50 C ATOM 1828 CE1 HIS A 117 22.114 11.906 13.726 1.00 32.11 C ATOM 1829 NE2 HIS A 117 22.676 10.806 13.263 1.00 25.41 N ATOM 0 H HIS A 117 21.099 11.241 17.546 1.00 1.41 H new ATOM 0 HA HIS A 117 22.338 8.710 17.029 1.00 15.15 H new ATOM 0 HB2 HIS A 117 23.438 11.525 17.395 1.00 42.30 H new ATOM 0 HB3 HIS A 117 24.393 10.147 16.884 1.00 42.30 H new ATOM 0 HD2 HIS A 117 23.765 9.178 14.241 1.00 23.50 H new ATOM 0 HE1 HIS A 117 21.589 12.644 13.137 1.00 32.11 H new ATOM 0 HE2 HIS A 117 22.692 10.516 12.285 1.00 25.41 H new ATOM 1838 N HIS A 118 23.186 7.967 19.243 1.00 12.31 N ATOM 1839 CA HIS A 118 23.655 7.445 20.532 1.00 64.51 C ATOM 1840 C HIS A 118 25.181 7.608 20.642 1.00 32.41 C ATOM 1841 O HIS A 118 25.916 7.178 19.742 1.00 71.30 O ATOM 1842 CB HIS A 118 23.239 5.951 20.676 1.00 34.23 C ATOM 1843 CG HIS A 118 23.551 5.331 22.018 1.00 73.44 C ATOM 1844 ND1 HIS A 118 22.641 5.294 23.053 1.00 23.12 N ATOM 1845 CD2 HIS A 118 24.666 4.718 22.487 1.00 64.50 C ATOM 1846 CE1 HIS A 118 23.182 4.695 24.090 1.00 60.34 C ATOM 1847 NE2 HIS A 118 24.410 4.334 23.773 1.00 14.51 N ATOM 0 H HIS A 118 23.047 7.244 18.537 1.00 12.31 H new ATOM 0 HA HIS A 118 23.195 8.010 21.343 1.00 64.51 H new ATOM 0 HB2 HIS A 118 22.168 5.868 20.494 1.00 34.23 H new ATOM 0 HB3 HIS A 118 23.740 5.373 19.900 1.00 34.23 H new ATOM 0 HD2 HIS A 118 25.587 4.562 21.944 1.00 64.50 H new ATOM 0 HE1 HIS A 118 22.701 4.527 25.042 1.00 60.34 H new ATOM 0 HE2 HIS A 118 25.062 3.847 24.388 1.00 14.51 H new ATOM 1856 N HIS A 119 25.630 8.235 21.746 1.00 42.12 N ATOM 1857 CA HIS A 119 27.058 8.423 22.069 1.00 64.02 C ATOM 1858 C HIS A 119 27.763 7.055 22.169 1.00 73.00 C ATOM 1859 O HIS A 119 27.521 6.295 23.113 1.00 10.33 O ATOM 1860 CB HIS A 119 27.199 9.233 23.397 1.00 54.25 C ATOM 1861 CG HIS A 119 28.624 9.448 23.876 1.00 42.15 C ATOM 1862 ND1 HIS A 119 29.378 10.555 23.537 1.00 60.22 N ATOM 1863 CD2 HIS A 119 29.423 8.699 24.682 1.00 3.34 C ATOM 1864 CE1 HIS A 119 30.564 10.473 24.108 1.00 70.55 C ATOM 1865 NE2 HIS A 119 30.613 9.359 24.806 1.00 4.54 N ATOM 0 H HIS A 119 25.004 8.630 22.447 1.00 42.12 H new ATOM 0 HA HIS A 119 27.539 8.990 21.272 1.00 64.02 H new ATOM 0 HB2 HIS A 119 26.728 10.206 23.262 1.00 54.25 H new ATOM 0 HB3 HIS A 119 26.644 8.716 24.180 1.00 54.25 H new ATOM 0 HD2 HIS A 119 29.165 7.756 25.140 1.00 3.34 H new ATOM 0 HE1 HIS A 119 31.360 11.197 24.018 1.00 70.55 H new ATOM 0 HE2 HIS A 119 31.412 9.039 25.353 1.00 4.54 H new ATOM 1874 N HIS A 120 28.589 6.751 21.161 1.00 65.11 N ATOM 1875 CA HIS A 120 29.378 5.513 21.096 1.00 43.51 C ATOM 1876 C HIS A 120 30.704 5.725 21.865 1.00 11.40 C ATOM 1877 O HIS A 120 30.769 5.380 23.065 1.00 11.01 O ATOM 1878 CB HIS A 120 29.624 5.110 19.609 1.00 62.34 C ATOM 1879 CG HIS A 120 28.363 4.804 18.827 1.00 71.13 C ATOM 1880 ND1 HIS A 120 28.121 5.279 17.553 1.00 1.01 N ATOM 1881 CD2 HIS A 120 27.284 4.051 19.148 1.00 25.31 C ATOM 1882 CE1 HIS A 120 26.952 4.833 17.132 1.00 55.42 C ATOM 1883 NE2 HIS A 120 26.427 4.087 18.081 1.00 55.43 N ATOM 1884 OXT HIS A 120 31.658 6.293 21.286 1.00 38.68 O ATOM 0 H HIS A 120 28.731 7.364 20.358 1.00 65.11 H new ATOM 0 HA HIS A 120 28.835 4.693 21.565 1.00 43.51 H new ATOM 0 HB2 HIS A 120 30.159 5.918 19.110 1.00 62.34 H new ATOM 0 HB3 HIS A 120 30.273 4.235 19.585 1.00 62.34 H new ATOM 0 HD2 HIS A 120 27.128 3.520 20.075 1.00 25.31 H new ATOM 0 HE1 HIS A 120 26.503 5.044 16.173 1.00 55.42 H new ATOM 0 HE2 HIS A 120 25.526 3.612 18.030 1.00 55.43 H new TER 1893 HIS A 120