USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1051 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 106 SER OG : rot -89:sc= 1.71 USER MOD Set 1.2: A 118 ASN : amide:sc= 0.236 K(o=2,f=1.2) USER MOD Set 2.1: A 86 SER OG : rot 97:sc= 1.43 USER MOD Set 2.2: A 89 HIS : no HD1:sc= 0.0483 K(o=2.9,f=-3.6!) USER MOD Set 2.3: A 108 ASN : amide:sc= 1.4 K(o=2.9,f=1.1) USER MOD Set 3.1: A 65 GLN : amide:sc= 1.53 K(o=2.1,f=1.1) USER MOD Set 3.2: A 68 THR OG1 : rot 180:sc= 0.533 USER MOD Set 4.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 30 THR OG1 : rot -91:sc= 0.847 USER MOD Set 5.2: A 32 THR OG1 : rot 180:sc= 0.764 USER MOD Set 6.1: A 14 THR OG1 : rot -123:sc= 1.26 USER MOD Set 6.2: A 16 SER OG : rot 180:sc= 1.14 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.42 (180deg=0.841) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.859 K(o=-0.86,f=0) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 7 THR OG1 : rot -69:sc= 0.00277 USER MOD Single : A 11 GLN : amide:sc= -0.179 K(o=-0.18,f=-0.75) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00975 USER MOD Single : A 24 LYS NZ :NH3+ -156:sc= -1.85! (180deg=-2.95!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 46 SER OG : rot -153:sc= 0.475 USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0641) USER MOD Single : A 56 ASN : amide:sc= -0.203 K(o=-0.2,f=-6.6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 90:sc= 1.21 USER MOD Single : A 73 HIS : no HE2:sc= 0.981 K(o=0.98,f=-3!) USER MOD Single : A 76 SER OG : rot -78:sc= 1.24 USER MOD Single : A 84 THR OG1 : rot 97:sc= 1.26 USER MOD Single : A 95 ASN : amide:sc= 0.891 K(o=0.89,f=-6.6!) USER MOD Single : A 110 THR OG1 : rot -101:sc= 0.12 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0505 K(o=-0.05,f=-1.3!) USER MOD Single : A 120 GLN : amide:sc= -1.23 K(o=-1.2,f=-6.5!) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= 0.936 K(o=0.94,f=-0.066) USER MOD Single : A 124 THR OG1 : rot 41:sc= 0.0132 USER MOD Single : A 129 GLN : amide:sc= -0.403 X(o=-0.4,f=-0.25) USER MOD Single : A 132 LYS NZ :NH3+ -174:sc= -0.0035 (180deg=-0.0698) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.902 43.624 -3.034 1.00 11.00 N ATOM 2 CA MET A 1 70.514 43.966 -2.743 1.00 43.05 C ATOM 3 C MET A 1 70.440 44.656 -1.414 1.00 60.03 C ATOM 4 O MET A 1 70.690 44.038 -0.379 1.00 22.55 O ATOM 5 CB MET A 1 69.601 42.721 -2.722 1.00 60.42 C ATOM 6 CG MET A 1 69.340 42.074 -4.075 1.00 62.31 C ATOM 7 SD MET A 1 70.817 41.419 -4.862 1.00 75.55 S ATOM 8 CE MET A 1 70.110 40.829 -6.397 1.00 54.53 C ATOM 0 H1 MET A 1 71.931 42.850 -3.728 1.00 11.00 H new ATOM 0 H2 MET A 1 72.390 44.456 -3.423 1.00 11.00 H new ATOM 0 H3 MET A 1 72.376 43.322 -2.159 1.00 11.00 H new ATOM 0 HA MET A 1 70.162 44.624 -3.537 1.00 43.05 H new ATOM 0 HB2 MET A 1 70.048 41.976 -2.063 1.00 60.42 H new ATOM 0 HB3 MET A 1 68.644 43.002 -2.283 1.00 60.42 H new ATOM 0 HG2 MET A 1 68.619 41.267 -3.948 1.00 62.31 H new ATOM 0 HG3 MET A 1 68.882 42.809 -4.737 1.00 62.31 H new ATOM 0 HE1 MET A 1 70.894 40.388 -7.013 1.00 54.53 H new ATOM 0 HE2 MET A 1 69.351 40.077 -6.183 1.00 54.53 H new ATOM 0 HE3 MET A 1 69.654 41.662 -6.932 1.00 54.53 H new ATOM 20 N SER A 2 70.147 45.938 -1.423 1.00 61.02 N ATOM 21 CA SER A 2 69.996 46.660 -0.191 1.00 0.31 C ATOM 22 C SER A 2 68.587 46.380 0.319 1.00 1.04 C ATOM 23 O SER A 2 68.360 46.165 1.520 1.00 24.21 O ATOM 24 CB SER A 2 70.243 48.162 -0.423 1.00 41.35 C ATOM 25 OG SER A 2 70.313 48.892 0.787 1.00 71.33 O ATOM 0 H SER A 2 70.010 46.494 -2.267 1.00 61.02 H new ATOM 0 HA SER A 2 70.724 46.340 0.554 1.00 0.31 H new ATOM 0 HB2 SER A 2 71.173 48.293 -0.977 1.00 41.35 H new ATOM 0 HB3 SER A 2 69.443 48.567 -1.042 1.00 41.35 H new ATOM 0 HG SER A 2 70.472 49.839 0.589 1.00 71.33 H new ATOM 31 N ASP A 3 67.662 46.322 -0.621 1.00 74.55 N ATOM 32 CA ASP A 3 66.288 45.970 -0.342 1.00 15.52 C ATOM 33 C ASP A 3 66.195 44.466 -0.437 1.00 31.34 C ATOM 34 O ASP A 3 67.014 43.842 -1.130 1.00 40.52 O ATOM 35 CB ASP A 3 65.312 46.616 -1.361 1.00 1.15 C ATOM 36 CG ASP A 3 65.395 46.028 -2.772 1.00 61.20 C ATOM 37 OD1 ASP A 3 66.310 46.400 -3.540 1.00 12.10 O ATOM 38 OD2 ASP A 3 64.527 45.195 -3.143 1.00 4.23 O ATOM 0 H ASP A 3 67.847 46.520 -1.604 1.00 74.55 H new ATOM 0 HA ASP A 3 66.007 46.334 0.646 1.00 15.52 H new ATOM 0 HB2 ASP A 3 64.293 46.503 -0.992 1.00 1.15 H new ATOM 0 HB3 ASP A 3 65.515 47.686 -1.413 1.00 1.15 H new ATOM 43 N ASN A 4 65.241 43.871 0.226 1.00 0.23 N ATOM 44 CA ASN A 4 65.113 42.418 0.199 1.00 53.11 C ATOM 45 C ASN A 4 63.693 41.981 0.497 1.00 53.11 C ATOM 46 O ASN A 4 62.936 42.698 1.166 1.00 12.21 O ATOM 47 CB ASN A 4 66.103 41.710 1.176 1.00 34.42 C ATOM 48 CG ASN A 4 65.808 41.867 2.689 1.00 72.21 C ATOM 49 OD1 ASN A 4 66.074 40.951 3.463 1.00 10.24 O ATOM 50 ND2 ASN A 4 65.321 43.007 3.127 1.00 3.31 N ATOM 0 H ASN A 4 64.541 44.354 0.790 1.00 0.23 H new ATOM 0 HA ASN A 4 65.372 42.112 -0.815 1.00 53.11 H new ATOM 0 HB2 ASN A 4 66.115 40.646 0.939 1.00 34.42 H new ATOM 0 HB3 ASN A 4 67.106 42.091 0.982 1.00 34.42 H new ATOM 0 HD21 ASN A 4 65.158 43.142 4.125 1.00 3.31 H new ATOM 0 HD22 ASN A 4 65.106 43.756 2.469 1.00 3.31 H new ATOM 57 N ASN A 5 63.338 40.832 -0.017 1.00 32.32 N ATOM 58 CA ASN A 5 62.042 40.225 0.223 1.00 42.51 C ATOM 59 C ASN A 5 62.290 38.786 0.619 1.00 24.13 C ATOM 60 O ASN A 5 63.241 38.161 0.116 1.00 24.33 O ATOM 61 CB ASN A 5 61.151 40.290 -1.034 1.00 53.14 C ATOM 62 CG ASN A 5 59.759 39.697 -0.810 1.00 60.54 C ATOM 63 OD1 ASN A 5 59.213 39.746 0.295 1.00 42.31 O ATOM 64 ND2 ASN A 5 59.182 39.146 -1.843 1.00 13.23 N ATOM 0 H ASN A 5 63.945 40.279 -0.623 1.00 32.32 H new ATOM 0 HA ASN A 5 61.516 40.763 1.012 1.00 42.51 H new ATOM 0 HB2 ASN A 5 61.051 41.329 -1.349 1.00 53.14 H new ATOM 0 HB3 ASN A 5 61.641 39.756 -1.848 1.00 53.14 H new ATOM 0 HD21 ASN A 5 58.251 38.739 -1.750 1.00 13.23 H new ATOM 0 HD22 ASN A 5 59.662 39.122 -2.743 1.00 13.23 H new ATOM 71 N GLY A 6 61.493 38.268 1.506 1.00 10.45 N ATOM 72 CA GLY A 6 61.715 36.944 1.984 1.00 22.23 C ATOM 73 C GLY A 6 60.453 36.139 2.088 1.00 23.03 C ATOM 74 O GLY A 6 59.620 36.139 1.162 1.00 32.12 O ATOM 0 H GLY A 6 60.686 38.744 1.910 1.00 10.45 H new ATOM 0 HA2 GLY A 6 62.410 36.435 1.317 1.00 22.23 H new ATOM 0 HA3 GLY A 6 62.190 36.992 2.964 1.00 22.23 H new ATOM 78 N THR A 7 60.296 35.480 3.200 1.00 15.24 N ATOM 79 CA THR A 7 59.186 34.601 3.427 1.00 1.32 C ATOM 80 C THR A 7 57.963 35.372 3.941 1.00 1.31 C ATOM 81 O THR A 7 58.101 36.369 4.662 1.00 31.34 O ATOM 82 CB THR A 7 59.573 33.464 4.443 1.00 50.45 C ATOM 83 OG1 THR A 7 58.508 32.499 4.571 1.00 42.24 O ATOM 84 CG2 THR A 7 59.901 34.022 5.833 1.00 34.13 C ATOM 0 H THR A 7 60.945 35.539 3.985 1.00 15.24 H new ATOM 0 HA THR A 7 58.927 34.145 2.472 1.00 1.32 H new ATOM 0 HB THR A 7 60.463 32.981 4.039 1.00 50.45 H new ATOM 0 HG1 THR A 7 57.745 32.912 5.028 1.00 42.24 H new ATOM 0 HG21 THR A 7 60.163 33.202 6.502 1.00 34.13 H new ATOM 0 HG22 THR A 7 60.741 34.712 5.759 1.00 34.13 H new ATOM 0 HG23 THR A 7 59.032 34.549 6.228 1.00 34.13 H new ATOM 92 N PRO A 8 56.757 34.965 3.510 1.00 3.00 N ATOM 93 CA PRO A 8 55.507 35.483 4.063 1.00 72.43 C ATOM 94 C PRO A 8 55.346 35.043 5.523 1.00 31.42 C ATOM 95 O PRO A 8 55.867 33.978 5.915 1.00 4.14 O ATOM 96 CB PRO A 8 54.423 34.832 3.193 1.00 60.42 C ATOM 97 CG PRO A 8 55.072 33.632 2.605 1.00 72.34 C ATOM 98 CD PRO A 8 56.514 33.990 2.424 1.00 34.12 C ATOM 0 HA PRO A 8 55.462 36.572 4.056 1.00 72.43 H new ATOM 0 HB2 PRO A 8 53.551 34.558 3.787 1.00 60.42 H new ATOM 0 HB3 PRO A 8 54.077 35.514 2.416 1.00 60.42 H new ATOM 0 HG2 PRO A 8 54.964 32.769 3.262 1.00 72.34 H new ATOM 0 HG3 PRO A 8 54.613 33.368 1.652 1.00 72.34 H new ATOM 0 HD2 PRO A 8 57.160 33.117 2.514 1.00 34.12 H new ATOM 0 HD3 PRO A 8 56.701 34.425 1.442 1.00 34.12 H new ATOM 106 N GLU A 9 54.667 35.849 6.318 1.00 33.24 N ATOM 107 CA GLU A 9 54.442 35.526 7.720 1.00 74.30 C ATOM 108 C GLU A 9 53.344 34.476 7.833 1.00 33.01 C ATOM 109 O GLU A 9 52.265 34.650 7.236 1.00 31.13 O ATOM 110 CB GLU A 9 53.993 36.752 8.551 1.00 13.10 C ATOM 111 CG GLU A 9 54.941 37.945 8.595 1.00 3.21 C ATOM 112 CD GLU A 9 55.010 38.710 7.300 1.00 45.35 C ATOM 113 OE1 GLU A 9 53.951 39.104 6.768 1.00 34.13 O ATOM 114 OE2 GLU A 9 56.111 38.967 6.807 1.00 50.54 O ATOM 0 H GLU A 9 54.260 36.735 6.018 1.00 33.24 H new ATOM 0 HA GLU A 9 55.393 35.165 8.111 1.00 74.30 H new ATOM 0 HB2 GLU A 9 53.036 37.095 8.158 1.00 13.10 H new ATOM 0 HB3 GLU A 9 53.818 36.421 9.575 1.00 13.10 H new ATOM 0 HG2 GLU A 9 54.624 38.621 9.390 1.00 3.21 H new ATOM 0 HG3 GLU A 9 55.940 37.595 8.854 1.00 3.21 H new ATOM 121 N PRO A 10 53.593 33.371 8.560 1.00 55.41 N ATOM 122 CA PRO A 10 52.576 32.341 8.818 1.00 61.41 C ATOM 123 C PRO A 10 51.401 32.911 9.633 1.00 11.31 C ATOM 124 O PRO A 10 51.582 33.839 10.450 1.00 14.21 O ATOM 125 CB PRO A 10 53.326 31.287 9.642 1.00 53.31 C ATOM 126 CG PRO A 10 54.767 31.537 9.372 1.00 41.54 C ATOM 127 CD PRO A 10 54.892 33.011 9.158 1.00 63.32 C ATOM 0 HA PRO A 10 52.145 31.945 7.898 1.00 61.41 H new ATOM 0 HB2 PRO A 10 53.101 31.384 10.704 1.00 53.31 H new ATOM 0 HB3 PRO A 10 53.039 30.278 9.346 1.00 53.31 H new ATOM 0 HG2 PRO A 10 55.384 31.210 10.209 1.00 41.54 H new ATOM 0 HG3 PRO A 10 55.102 30.985 8.494 1.00 41.54 H new ATOM 0 HD2 PRO A 10 55.066 33.541 10.094 1.00 63.32 H new ATOM 0 HD3 PRO A 10 55.723 33.254 8.495 1.00 63.32 H new ATOM 135 N GLN A 11 50.224 32.357 9.434 1.00 54.41 N ATOM 136 CA GLN A 11 49.032 32.856 10.063 1.00 64.11 C ATOM 137 C GLN A 11 48.770 32.128 11.372 1.00 61.25 C ATOM 138 O GLN A 11 49.467 31.173 11.718 1.00 33.41 O ATOM 139 CB GLN A 11 47.802 32.734 9.145 1.00 0.33 C ATOM 140 CG GLN A 11 47.940 33.384 7.767 1.00 54.50 C ATOM 141 CD GLN A 11 48.625 32.488 6.739 1.00 43.14 C ATOM 142 OE1 GLN A 11 49.843 32.498 6.573 1.00 23.41 O ATOM 143 NE2 GLN A 11 47.847 31.721 6.036 1.00 4.34 N ATOM 0 H GLN A 11 50.072 31.549 8.831 1.00 54.41 H new ATOM 0 HA GLN A 11 49.198 33.914 10.265 1.00 64.11 H new ATOM 0 HB2 GLN A 11 47.577 31.676 9.007 1.00 0.33 H new ATOM 0 HB3 GLN A 11 46.946 33.179 9.653 1.00 0.33 H new ATOM 0 HG2 GLN A 11 46.950 33.654 7.400 1.00 54.50 H new ATOM 0 HG3 GLN A 11 48.507 34.310 7.866 1.00 54.50 H new ATOM 0 HE21 GLN A 11 46.840 31.733 6.195 1.00 4.34 H new ATOM 0 HE22 GLN A 11 48.244 31.107 5.325 1.00 4.34 H new ATOM 152 N VAL A 12 47.780 32.588 12.087 1.00 61.33 N ATOM 153 CA VAL A 12 47.408 32.043 13.360 1.00 13.41 C ATOM 154 C VAL A 12 45.955 31.555 13.339 1.00 61.04 C ATOM 155 O VAL A 12 45.212 31.837 12.399 1.00 63.33 O ATOM 156 CB VAL A 12 47.570 33.107 14.469 1.00 63.51 C ATOM 157 CG1 VAL A 12 49.036 33.447 14.685 1.00 14.23 C ATOM 158 CG2 VAL A 12 46.783 34.374 14.135 1.00 43.02 C ATOM 0 H VAL A 12 47.197 33.371 11.792 1.00 61.33 H new ATOM 0 HA VAL A 12 48.065 31.198 13.567 1.00 13.41 H new ATOM 0 HB VAL A 12 47.170 32.684 15.391 1.00 63.51 H new ATOM 0 HG11 VAL A 12 49.123 34.198 15.470 1.00 14.23 H new ATOM 0 HG12 VAL A 12 49.578 32.549 14.980 1.00 14.23 H new ATOM 0 HG13 VAL A 12 49.459 33.839 13.760 1.00 14.23 H new ATOM 0 HG21 VAL A 12 46.915 35.105 14.932 1.00 43.02 H new ATOM 0 HG22 VAL A 12 47.147 34.791 13.196 1.00 43.02 H new ATOM 0 HG23 VAL A 12 45.725 34.130 14.038 1.00 43.02 H new ATOM 168 N GLU A 13 45.560 30.845 14.373 1.00 40.44 N ATOM 169 CA GLU A 13 44.205 30.340 14.502 1.00 1.13 C ATOM 170 C GLU A 13 43.285 31.460 14.962 1.00 4.23 C ATOM 171 O GLU A 13 43.668 32.281 15.803 1.00 23.02 O ATOM 172 CB GLU A 13 44.157 29.187 15.509 1.00 44.31 C ATOM 173 CG GLU A 13 42.800 28.496 15.604 1.00 31.34 C ATOM 174 CD GLU A 13 42.342 27.964 14.269 1.00 65.33 C ATOM 175 OE1 GLU A 13 41.761 28.731 13.482 1.00 52.54 O ATOM 176 OE2 GLU A 13 42.586 26.774 13.970 1.00 41.44 O ATOM 0 H GLU A 13 46.170 30.599 15.153 1.00 40.44 H new ATOM 0 HA GLU A 13 43.874 29.971 13.531 1.00 1.13 H new ATOM 0 HB2 GLU A 13 44.910 28.448 15.235 1.00 44.31 H new ATOM 0 HB3 GLU A 13 44.428 29.568 16.494 1.00 44.31 H new ATOM 0 HG2 GLU A 13 42.860 27.676 16.320 1.00 31.34 H new ATOM 0 HG3 GLU A 13 42.061 29.200 15.987 1.00 31.34 H new ATOM 183 N THR A 14 42.101 31.505 14.435 1.00 3.53 N ATOM 184 CA THR A 14 41.187 32.535 14.791 1.00 35.14 C ATOM 185 C THR A 14 40.016 31.954 15.591 1.00 22.43 C ATOM 186 O THR A 14 39.639 30.785 15.417 1.00 22.41 O ATOM 187 CB THR A 14 40.687 33.325 13.543 1.00 51.25 C ATOM 188 OG1 THR A 14 39.868 34.428 13.959 1.00 12.24 O ATOM 189 CG2 THR A 14 39.891 32.431 12.601 1.00 51.24 C ATOM 0 H THR A 14 41.747 30.834 13.753 1.00 3.53 H new ATOM 0 HA THR A 14 41.716 33.248 15.423 1.00 35.14 H new ATOM 0 HB THR A 14 41.563 33.693 13.008 1.00 51.25 H new ATOM 0 HG1 THR A 14 38.986 34.357 13.539 1.00 12.24 H new ATOM 0 HG21 THR A 14 39.558 33.013 11.742 1.00 51.24 H new ATOM 0 HG22 THR A 14 40.521 31.609 12.260 1.00 51.24 H new ATOM 0 HG23 THR A 14 39.024 32.030 13.126 1.00 51.24 H new ATOM 197 N THR A 15 39.479 32.741 16.488 1.00 41.24 N ATOM 198 CA THR A 15 38.362 32.326 17.286 1.00 12.41 C ATOM 199 C THR A 15 37.039 32.887 16.767 1.00 5.53 C ATOM 200 O THR A 15 35.993 32.686 17.379 1.00 52.13 O ATOM 201 CB THR A 15 38.580 32.700 18.758 1.00 72.03 C ATOM 202 OG1 THR A 15 39.129 34.028 18.847 1.00 63.42 O ATOM 203 CG2 THR A 15 39.504 31.700 19.441 1.00 25.23 C ATOM 0 H THR A 15 39.806 33.687 16.683 1.00 41.24 H new ATOM 0 HA THR A 15 38.296 31.241 17.210 1.00 12.41 H new ATOM 0 HB THR A 15 37.618 32.675 19.269 1.00 72.03 H new ATOM 0 HG1 THR A 15 39.265 34.263 19.789 1.00 63.42 H new ATOM 0 HG21 THR A 15 39.643 31.986 20.483 1.00 25.23 H new ATOM 0 HG22 THR A 15 39.062 30.705 19.394 1.00 25.23 H new ATOM 0 HG23 THR A 15 40.469 31.692 18.935 1.00 25.23 H new ATOM 211 N SER A 16 37.079 33.503 15.588 1.00 71.41 N ATOM 212 CA SER A 16 35.913 34.145 14.972 1.00 64.25 C ATOM 213 C SER A 16 34.959 33.126 14.295 1.00 10.03 C ATOM 214 O SER A 16 34.291 33.439 13.296 1.00 15.04 O ATOM 215 CB SER A 16 36.417 35.175 13.958 1.00 24.12 C ATOM 216 OG SER A 16 37.387 34.593 13.084 1.00 73.15 O ATOM 0 H SER A 16 37.927 33.573 15.026 1.00 71.41 H new ATOM 0 HA SER A 16 35.327 34.630 15.753 1.00 64.25 H new ATOM 0 HB2 SER A 16 35.579 35.559 13.375 1.00 24.12 H new ATOM 0 HB3 SER A 16 36.856 36.024 14.482 1.00 24.12 H new ATOM 0 HG SER A 16 37.696 35.267 12.443 1.00 73.15 H new ATOM 222 N VAL A 17 34.877 31.943 14.848 1.00 75.40 N ATOM 223 CA VAL A 17 34.015 30.921 14.339 1.00 53.21 C ATOM 224 C VAL A 17 32.910 30.673 15.355 1.00 70.34 C ATOM 225 O VAL A 17 33.172 30.578 16.560 1.00 75.32 O ATOM 226 CB VAL A 17 34.791 29.595 14.014 1.00 62.03 C ATOM 227 CG1 VAL A 17 35.828 29.831 12.926 1.00 20.14 C ATOM 228 CG2 VAL A 17 35.469 29.010 15.250 1.00 70.34 C ATOM 0 H VAL A 17 35.413 31.665 15.670 1.00 75.40 H new ATOM 0 HA VAL A 17 33.587 31.260 13.395 1.00 53.21 H new ATOM 0 HB VAL A 17 34.053 28.875 13.661 1.00 62.03 H new ATOM 0 HG11 VAL A 17 36.354 28.900 12.716 1.00 20.14 H new ATOM 0 HG12 VAL A 17 35.332 30.179 12.020 1.00 20.14 H new ATOM 0 HG13 VAL A 17 36.542 30.583 13.261 1.00 20.14 H new ATOM 0 HG21 VAL A 17 35.993 28.094 14.978 1.00 70.34 H new ATOM 0 HG22 VAL A 17 36.182 29.731 15.650 1.00 70.34 H new ATOM 0 HG23 VAL A 17 34.717 28.786 16.006 1.00 70.34 H new ATOM 238 N PHE A 18 31.685 30.624 14.914 1.00 74.24 N ATOM 239 CA PHE A 18 30.625 30.406 15.851 1.00 62.35 C ATOM 240 C PHE A 18 30.406 28.930 16.041 1.00 61.32 C ATOM 241 O PHE A 18 30.536 28.135 15.097 1.00 62.11 O ATOM 242 CB PHE A 18 29.311 31.133 15.470 1.00 43.21 C ATOM 243 CG PHE A 18 28.559 30.591 14.281 1.00 14.45 C ATOM 244 CD1 PHE A 18 28.922 30.933 12.997 1.00 64.45 C ATOM 245 CD2 PHE A 18 27.464 29.752 14.464 1.00 40.11 C ATOM 246 CE1 PHE A 18 28.221 30.450 11.913 1.00 11.40 C ATOM 247 CE2 PHE A 18 26.756 29.267 13.386 1.00 34.04 C ATOM 248 CZ PHE A 18 27.136 29.617 12.106 1.00 3.24 C ATOM 0 H PHE A 18 31.402 30.729 13.940 1.00 74.24 H new ATOM 0 HA PHE A 18 30.935 30.846 16.799 1.00 62.35 H new ATOM 0 HB2 PHE A 18 28.646 31.109 16.333 1.00 43.21 H new ATOM 0 HB3 PHE A 18 29.545 32.180 15.277 1.00 43.21 H new ATOM 0 HD1 PHE A 18 29.766 31.588 12.838 1.00 64.45 H new ATOM 0 HD2 PHE A 18 27.165 29.477 15.465 1.00 40.11 H new ATOM 0 HE1 PHE A 18 28.520 30.723 10.912 1.00 11.40 H new ATOM 0 HE2 PHE A 18 25.908 28.616 13.542 1.00 34.04 H new ATOM 0 HZ PHE A 18 26.586 29.240 11.257 1.00 3.24 H new ATOM 258 N ARG A 19 30.144 28.555 17.246 1.00 74.51 N ATOM 259 CA ARG A 19 29.830 27.195 17.559 1.00 70.12 C ATOM 260 C ARG A 19 28.357 27.017 17.344 1.00 41.11 C ATOM 261 O ARG A 19 27.570 27.867 17.762 1.00 22.32 O ATOM 262 CB ARG A 19 30.234 26.828 18.998 1.00 54.21 C ATOM 263 CG ARG A 19 31.752 26.637 19.234 1.00 43.14 C ATOM 264 CD ARG A 19 32.587 27.896 18.997 1.00 25.42 C ATOM 265 NE ARG A 19 34.022 27.639 19.193 1.00 10.34 N ATOM 266 CZ ARG A 19 35.008 28.539 19.075 1.00 72.41 C ATOM 267 NH1 ARG A 19 34.756 29.775 18.642 1.00 13.15 N ATOM 268 NH2 ARG A 19 36.259 28.176 19.332 1.00 51.43 N ATOM 0 H ARG A 19 30.140 29.183 18.049 1.00 74.51 H new ATOM 0 HA ARG A 19 30.395 26.524 16.912 1.00 70.12 H new ATOM 0 HB2 ARG A 19 29.875 27.609 19.668 1.00 54.21 H new ATOM 0 HB3 ARG A 19 29.722 25.907 19.277 1.00 54.21 H new ATOM 0 HG2 ARG A 19 31.909 26.298 20.258 1.00 43.14 H new ATOM 0 HG3 ARG A 19 32.114 25.846 18.577 1.00 43.14 H new ATOM 0 HD2 ARG A 19 32.417 28.261 17.984 1.00 25.42 H new ATOM 0 HD3 ARG A 19 32.261 28.683 19.678 1.00 25.42 H new ATOM 0 HE ARG A 19 34.292 26.687 19.442 1.00 10.34 H new ATOM 0 HH11 ARG A 19 33.804 30.045 18.396 1.00 13.15 H new ATOM 0 HH12 ARG A 19 35.516 30.450 18.557 1.00 13.15 H new ATOM 0 HH21 ARG A 19 36.464 27.218 19.617 1.00 51.43 H new ATOM 0 HH22 ARG A 19 37.015 28.855 19.245 1.00 51.43 H new ATOM 282 N ALA A 20 27.985 25.967 16.652 1.00 1.20 N ATOM 283 CA ALA A 20 26.601 25.732 16.312 1.00 73.10 C ATOM 284 C ALA A 20 25.771 25.329 17.524 1.00 54.12 C ATOM 285 O ALA A 20 25.704 24.146 17.910 1.00 24.11 O ATOM 286 CB ALA A 20 26.478 24.715 15.185 1.00 64.33 C ATOM 0 H ALA A 20 28.629 25.254 16.310 1.00 1.20 H new ATOM 0 HA ALA A 20 26.193 26.677 15.954 1.00 73.10 H new ATOM 0 HB1 ALA A 20 25.425 24.558 14.950 1.00 64.33 H new ATOM 0 HB2 ALA A 20 26.995 25.087 14.301 1.00 64.33 H new ATOM 0 HB3 ALA A 20 26.925 23.771 15.496 1.00 64.33 H new ATOM 292 N ASP A 21 25.222 26.315 18.169 1.00 3.24 N ATOM 293 CA ASP A 21 24.332 26.103 19.278 1.00 61.31 C ATOM 294 C ASP A 21 22.905 26.239 18.840 1.00 54.10 C ATOM 295 O ASP A 21 22.022 25.536 19.338 1.00 22.15 O ATOM 296 CB ASP A 21 24.635 27.038 20.451 1.00 13.52 C ATOM 297 CG ASP A 21 25.843 26.604 21.241 1.00 50.43 C ATOM 298 OD1 ASP A 21 25.708 25.705 22.100 1.00 43.44 O ATOM 299 OD2 ASP A 21 26.955 27.129 21.021 1.00 4.44 O ATOM 0 H ASP A 21 25.378 27.297 17.941 1.00 3.24 H new ATOM 0 HA ASP A 21 24.494 25.086 19.634 1.00 61.31 H new ATOM 0 HB2 ASP A 21 24.796 28.048 20.074 1.00 13.52 H new ATOM 0 HB3 ASP A 21 23.769 27.079 21.112 1.00 13.52 H new ATOM 304 N LEU A 22 22.670 27.114 17.896 1.00 51.11 N ATOM 305 CA LEU A 22 21.344 27.310 17.368 1.00 30.32 C ATOM 306 C LEU A 22 21.016 26.201 16.369 1.00 44.42 C ATOM 307 O LEU A 22 21.314 26.304 15.180 1.00 72.22 O ATOM 308 CB LEU A 22 21.209 28.700 16.720 1.00 13.22 C ATOM 309 CG LEU A 22 19.836 29.054 16.122 1.00 4.11 C ATOM 310 CD1 LEU A 22 18.754 29.057 17.194 1.00 63.45 C ATOM 311 CD2 LEU A 22 19.894 30.399 15.412 1.00 65.04 C ATOM 0 H LEU A 22 23.386 27.706 17.475 1.00 51.11 H new ATOM 0 HA LEU A 22 20.628 27.262 18.188 1.00 30.32 H new ATOM 0 HB2 LEU A 22 21.457 29.451 17.470 1.00 13.22 H new ATOM 0 HB3 LEU A 22 21.955 28.781 15.930 1.00 13.22 H new ATOM 0 HG LEU A 22 19.579 28.288 15.391 1.00 4.11 H new ATOM 0 HD11 LEU A 22 17.795 29.310 16.742 1.00 63.45 H new ATOM 0 HD12 LEU A 22 18.691 28.069 17.650 1.00 63.45 H new ATOM 0 HD13 LEU A 22 19.001 29.794 17.958 1.00 63.45 H new ATOM 0 HD21 LEU A 22 18.914 30.633 14.995 1.00 65.04 H new ATOM 0 HD22 LEU A 22 20.180 31.174 16.123 1.00 65.04 H new ATOM 0 HD23 LEU A 22 20.629 30.355 14.608 1.00 65.04 H new ATOM 323 N LEU A 23 20.476 25.128 16.870 1.00 64.40 N ATOM 324 CA LEU A 23 20.107 23.999 16.050 1.00 50.44 C ATOM 325 C LEU A 23 18.604 23.856 16.067 1.00 32.21 C ATOM 326 O LEU A 23 17.988 23.867 17.137 1.00 32.14 O ATOM 327 CB LEU A 23 20.779 22.719 16.568 1.00 55.44 C ATOM 328 CG LEU A 23 22.316 22.720 16.593 1.00 4.03 C ATOM 329 CD1 LEU A 23 22.841 21.431 17.198 1.00 41.21 C ATOM 330 CD2 LEU A 23 22.881 22.914 15.192 1.00 15.10 C ATOM 0 H LEU A 23 20.276 25.006 17.863 1.00 64.40 H new ATOM 0 HA LEU A 23 20.444 24.162 15.026 1.00 50.44 H new ATOM 0 HB2 LEU A 23 20.420 22.529 17.580 1.00 55.44 H new ATOM 0 HB3 LEU A 23 20.447 21.884 15.951 1.00 55.44 H new ATOM 0 HG LEU A 23 22.643 23.554 17.214 1.00 4.03 H new ATOM 0 HD11 LEU A 23 23.931 21.451 17.207 1.00 41.21 H new ATOM 0 HD12 LEU A 23 22.471 21.331 18.219 1.00 41.21 H new ATOM 0 HD13 LEU A 23 22.498 20.584 16.604 1.00 41.21 H new ATOM 0 HD21 LEU A 23 23.970 22.911 15.235 1.00 15.10 H new ATOM 0 HD22 LEU A 23 22.541 22.103 14.547 1.00 15.10 H new ATOM 0 HD23 LEU A 23 22.536 23.866 14.789 1.00 15.10 H new ATOM 342 N LYS A 24 18.006 23.744 14.901 1.00 5.04 N ATOM 343 CA LYS A 24 16.557 23.670 14.826 1.00 44.34 C ATOM 344 C LYS A 24 16.067 22.267 14.533 1.00 14.55 C ATOM 345 O LYS A 24 14.875 21.998 14.629 1.00 5.11 O ATOM 346 CB LYS A 24 15.956 24.641 13.781 1.00 23.11 C ATOM 347 CG LYS A 24 16.291 26.128 13.973 1.00 65.11 C ATOM 348 CD LYS A 24 17.672 26.532 13.422 1.00 41.03 C ATOM 349 CE LYS A 24 17.714 26.647 11.875 1.00 73.42 C ATOM 350 NZ LYS A 24 17.472 25.375 11.150 1.00 54.41 N ATOM 0 H LYS A 24 18.488 23.702 14.003 1.00 5.04 H new ATOM 0 HA LYS A 24 16.211 23.970 15.815 1.00 44.34 H new ATOM 0 HB2 LYS A 24 16.299 24.336 12.792 1.00 23.11 H new ATOM 0 HB3 LYS A 24 14.872 24.529 13.791 1.00 23.11 H new ATOM 0 HG2 LYS A 24 15.525 26.729 13.483 1.00 65.11 H new ATOM 0 HG3 LYS A 24 16.251 26.365 15.036 1.00 65.11 H new ATOM 0 HD2 LYS A 24 17.962 27.488 13.857 1.00 41.03 H new ATOM 0 HD3 LYS A 24 18.411 25.798 13.744 1.00 41.03 H new ATOM 0 HE2 LYS A 24 16.969 27.377 11.559 1.00 73.42 H new ATOM 0 HE3 LYS A 24 18.688 27.038 11.580 1.00 73.42 H new ATOM 0 HZ1 LYS A 24 17.901 25.428 10.204 1.00 54.41 H new ATOM 0 HZ2 LYS A 24 17.897 24.587 11.679 1.00 54.41 H new ATOM 0 HZ3 LYS A 24 16.448 25.217 11.058 1.00 54.41 H new ATOM 364 N GLU A 25 16.956 21.364 14.180 1.00 73.32 N ATOM 365 CA GLU A 25 16.496 20.041 13.846 1.00 54.33 C ATOM 366 C GLU A 25 16.242 19.196 15.074 1.00 73.41 C ATOM 367 O GLU A 25 17.127 18.996 15.917 1.00 33.45 O ATOM 368 CB GLU A 25 17.372 19.313 12.804 1.00 12.23 C ATOM 369 CG GLU A 25 16.840 17.913 12.462 1.00 74.12 C ATOM 370 CD GLU A 25 17.382 17.346 11.177 1.00 50.10 C ATOM 371 OE1 GLU A 25 18.431 16.680 11.187 1.00 63.33 O ATOM 372 OE2 GLU A 25 16.738 17.529 10.127 1.00 24.34 O ATOM 0 H GLU A 25 17.963 21.515 14.119 1.00 73.32 H new ATOM 0 HA GLU A 25 15.535 20.190 13.353 1.00 54.33 H new ATOM 0 HB2 GLU A 25 17.421 19.911 11.894 1.00 12.23 H new ATOM 0 HB3 GLU A 25 18.390 19.228 13.185 1.00 12.23 H new ATOM 0 HG2 GLU A 25 17.085 17.234 13.278 1.00 74.12 H new ATOM 0 HG3 GLU A 25 15.753 17.955 12.398 1.00 74.12 H new ATOM 379 N MET A 26 15.021 18.764 15.191 1.00 42.33 N ATOM 380 CA MET A 26 14.594 17.875 16.236 1.00 60.41 C ATOM 381 C MET A 26 14.496 16.487 15.632 1.00 33.21 C ATOM 382 O MET A 26 13.776 16.279 14.653 1.00 33.41 O ATOM 383 CB MET A 26 13.243 18.341 16.843 1.00 52.21 C ATOM 384 CG MET A 26 12.132 18.563 15.819 1.00 32.11 C ATOM 385 SD MET A 26 10.576 19.131 16.537 1.00 51.11 S ATOM 386 CE MET A 26 9.617 19.353 15.036 1.00 13.25 C ATOM 0 H MET A 26 14.274 19.026 14.547 1.00 42.33 H new ATOM 0 HA MET A 26 15.308 17.871 17.059 1.00 60.41 H new ATOM 0 HB2 MET A 26 12.909 17.598 17.567 1.00 52.21 H new ATOM 0 HB3 MET A 26 13.406 19.269 17.391 1.00 52.21 H new ATOM 0 HG2 MET A 26 12.470 19.294 15.084 1.00 32.11 H new ATOM 0 HG3 MET A 26 11.954 17.631 15.283 1.00 32.11 H new ATOM 0 HE1 MET A 26 8.617 19.704 15.292 1.00 13.25 H new ATOM 0 HE2 MET A 26 10.107 20.087 14.396 1.00 13.25 H new ATOM 0 HE3 MET A 26 9.543 18.403 14.507 1.00 13.25 H new ATOM 396 N GLU A 27 15.245 15.565 16.163 1.00 33.34 N ATOM 397 CA GLU A 27 15.316 14.234 15.610 1.00 64.01 C ATOM 398 C GLU A 27 14.047 13.428 15.844 1.00 41.14 C ATOM 399 O GLU A 27 13.442 13.478 16.919 1.00 13.45 O ATOM 400 CB GLU A 27 16.557 13.474 16.137 1.00 63.42 C ATOM 401 CG GLU A 27 16.566 11.994 15.764 1.00 63.10 C ATOM 402 CD GLU A 27 17.821 11.251 16.126 1.00 62.34 C ATOM 403 OE1 GLU A 27 18.290 11.337 17.277 1.00 72.43 O ATOM 404 OE2 GLU A 27 18.338 10.516 15.271 1.00 50.53 O ATOM 0 H GLU A 27 15.825 15.709 16.990 1.00 33.34 H new ATOM 0 HA GLU A 27 15.416 14.355 14.531 1.00 64.01 H new ATOM 0 HB2 GLU A 27 17.457 13.946 15.743 1.00 63.42 H new ATOM 0 HB3 GLU A 27 16.597 13.568 17.222 1.00 63.42 H new ATOM 0 HG2 GLU A 27 15.721 11.508 16.252 1.00 63.10 H new ATOM 0 HG3 GLU A 27 16.408 11.906 14.689 1.00 63.10 H new ATOM 411 N SER A 28 13.621 12.740 14.816 1.00 53.05 N ATOM 412 CA SER A 28 12.575 11.787 14.931 1.00 71.22 C ATOM 413 C SER A 28 13.265 10.447 15.179 1.00 1.33 C ATOM 414 O SER A 28 13.667 9.752 14.238 1.00 30.40 O ATOM 415 CB SER A 28 11.738 11.765 13.648 1.00 14.14 C ATOM 416 OG SER A 28 11.288 13.090 13.313 1.00 41.05 O ATOM 0 H SER A 28 14.000 12.834 13.874 1.00 53.05 H new ATOM 0 HA SER A 28 11.886 12.023 15.742 1.00 71.22 H new ATOM 0 HB2 SER A 28 12.330 11.358 12.828 1.00 14.14 H new ATOM 0 HB3 SER A 28 10.880 11.106 13.779 1.00 14.14 H new ATOM 0 HG SER A 28 10.757 13.057 12.490 1.00 41.05 H new ATOM 422 N SER A 29 13.505 10.172 16.448 1.00 21.25 N ATOM 423 CA SER A 29 14.268 9.027 16.884 1.00 33.14 C ATOM 424 C SER A 29 13.592 7.730 16.441 1.00 70.23 C ATOM 425 O SER A 29 12.382 7.554 16.612 1.00 41.21 O ATOM 426 CB SER A 29 14.438 9.092 18.412 1.00 65.01 C ATOM 427 OG SER A 29 15.339 8.105 18.916 1.00 4.10 O ATOM 0 H SER A 29 13.167 10.752 17.216 1.00 21.25 H new ATOM 0 HA SER A 29 15.256 9.042 16.424 1.00 33.14 H new ATOM 0 HB2 SER A 29 14.800 10.082 18.690 1.00 65.01 H new ATOM 0 HB3 SER A 29 13.465 8.964 18.886 1.00 65.01 H new ATOM 0 HG SER A 29 15.410 8.194 19.889 1.00 4.10 H new ATOM 433 N THR A 30 14.354 6.860 15.843 1.00 1.11 N ATOM 434 CA THR A 30 13.828 5.624 15.367 1.00 44.43 C ATOM 435 C THR A 30 14.614 4.436 15.939 1.00 2.32 C ATOM 436 O THR A 30 15.846 4.350 15.811 1.00 13.21 O ATOM 437 CB THR A 30 13.766 5.595 13.790 1.00 34.12 C ATOM 438 OG1 THR A 30 13.231 4.348 13.291 1.00 74.02 O ATOM 439 CG2 THR A 30 15.133 5.858 13.155 1.00 12.12 C ATOM 0 H THR A 30 15.351 6.991 15.675 1.00 1.11 H new ATOM 0 HA THR A 30 12.802 5.533 15.723 1.00 44.43 H new ATOM 0 HB THR A 30 13.091 6.401 13.503 1.00 34.12 H new ATOM 0 HG1 THR A 30 13.965 3.718 13.130 1.00 74.02 H new ATOM 0 HG21 THR A 30 15.042 5.828 12.069 1.00 12.12 H new ATOM 0 HG22 THR A 30 15.494 6.840 13.462 1.00 12.12 H new ATOM 0 HG23 THR A 30 15.839 5.094 13.481 1.00 12.12 H new ATOM 447 N GLY A 31 13.909 3.584 16.640 1.00 1.13 N ATOM 448 CA GLY A 31 14.471 2.362 17.149 1.00 53.14 C ATOM 449 C GLY A 31 13.980 1.220 16.312 1.00 75.32 C ATOM 450 O GLY A 31 13.146 0.414 16.749 1.00 41.24 O ATOM 0 H GLY A 31 12.926 3.721 16.874 1.00 1.13 H new ATOM 0 HA2 GLY A 31 15.560 2.408 17.124 1.00 53.14 H new ATOM 0 HA3 GLY A 31 14.182 2.219 18.190 1.00 53.14 H new ATOM 454 N THR A 32 14.487 1.162 15.114 1.00 42.30 N ATOM 455 CA THR A 32 14.033 0.249 14.097 1.00 71.22 C ATOM 456 C THR A 32 14.347 -1.215 14.449 1.00 14.23 C ATOM 457 O THR A 32 15.437 -1.532 14.937 1.00 63.34 O ATOM 458 CB THR A 32 14.729 0.610 12.786 1.00 62.21 C ATOM 459 OG1 THR A 32 14.705 2.047 12.639 1.00 23.45 O ATOM 460 CG2 THR A 32 14.021 -0.022 11.597 1.00 53.31 C ATOM 0 H THR A 32 15.250 1.765 14.806 1.00 42.30 H new ATOM 0 HA THR A 32 12.950 0.340 14.012 1.00 71.22 H new ATOM 0 HB THR A 32 15.752 0.236 12.813 1.00 62.21 H new ATOM 0 HG1 THR A 32 15.149 2.298 11.802 1.00 23.45 H new ATOM 0 HG21 THR A 32 14.538 0.252 10.678 1.00 53.31 H new ATOM 0 HG22 THR A 32 14.025 -1.107 11.706 1.00 53.31 H new ATOM 0 HG23 THR A 32 12.992 0.335 11.554 1.00 53.31 H new ATOM 468 N ALA A 33 13.394 -2.081 14.217 1.00 53.21 N ATOM 469 CA ALA A 33 13.586 -3.490 14.434 1.00 11.25 C ATOM 470 C ALA A 33 14.216 -4.091 13.177 1.00 22.41 C ATOM 471 O ALA A 33 13.874 -3.675 12.061 1.00 63.12 O ATOM 472 CB ALA A 33 12.257 -4.166 14.748 1.00 30.31 C ATOM 0 H ALA A 33 12.467 -1.830 13.874 1.00 53.21 H new ATOM 0 HA ALA A 33 14.246 -3.649 15.287 1.00 11.25 H new ATOM 0 HB1 ALA A 33 12.420 -5.232 14.909 1.00 30.31 H new ATOM 0 HB2 ALA A 33 11.828 -3.724 15.647 1.00 30.31 H new ATOM 0 HB3 ALA A 33 11.571 -4.026 13.912 1.00 30.31 H new ATOM 478 N PRO A 34 15.167 -5.026 13.312 1.00 14.34 N ATOM 479 CA PRO A 34 15.804 -5.633 12.164 1.00 2.12 C ATOM 480 C PRO A 34 14.883 -6.610 11.459 1.00 41.41 C ATOM 481 O PRO A 34 14.602 -7.714 11.955 1.00 21.42 O ATOM 482 CB PRO A 34 17.018 -6.370 12.726 1.00 13.45 C ATOM 483 CG PRO A 34 17.077 -6.016 14.178 1.00 22.55 C ATOM 484 CD PRO A 34 15.700 -5.563 14.569 1.00 72.30 C ATOM 0 HA PRO A 34 16.073 -4.881 11.423 1.00 2.12 H new ATOM 0 HB2 PRO A 34 16.918 -7.447 12.590 1.00 13.45 H new ATOM 0 HB3 PRO A 34 17.931 -6.067 12.213 1.00 13.45 H new ATOM 0 HG2 PRO A 34 17.385 -6.875 14.773 1.00 22.55 H new ATOM 0 HG3 PRO A 34 17.808 -5.227 14.354 1.00 22.55 H new ATOM 0 HD2 PRO A 34 15.095 -6.387 14.946 1.00 72.30 H new ATOM 0 HD3 PRO A 34 15.730 -4.806 15.352 1.00 72.30 H new ATOM 492 N ALA A 35 14.388 -6.201 10.338 1.00 41.14 N ATOM 493 CA ALA A 35 13.547 -7.046 9.539 1.00 22.32 C ATOM 494 C ALA A 35 14.416 -7.778 8.539 1.00 54.05 C ATOM 495 O ALA A 35 14.438 -7.459 7.350 1.00 42.02 O ATOM 496 CB ALA A 35 12.441 -6.248 8.853 1.00 24.40 C ATOM 0 H ALA A 35 14.552 -5.274 9.946 1.00 41.14 H new ATOM 0 HA ALA A 35 13.044 -7.771 10.178 1.00 22.32 H new ATOM 0 HB1 ALA A 35 11.824 -6.920 8.257 1.00 24.40 H new ATOM 0 HB2 ALA A 35 11.823 -5.761 9.607 1.00 24.40 H new ATOM 0 HB3 ALA A 35 12.886 -5.493 8.205 1.00 24.40 H new ATOM 502 N SER A 36 15.197 -8.686 9.046 1.00 24.01 N ATOM 503 CA SER A 36 16.118 -9.427 8.254 1.00 62.13 C ATOM 504 C SER A 36 16.180 -10.833 8.815 1.00 61.44 C ATOM 505 O SER A 36 16.046 -11.023 10.038 1.00 71.42 O ATOM 506 CB SER A 36 17.505 -8.742 8.293 1.00 74.10 C ATOM 507 OG SER A 36 18.432 -9.358 7.411 1.00 62.41 O ATOM 0 H SER A 36 15.208 -8.932 10.036 1.00 24.01 H new ATOM 0 HA SER A 36 15.801 -9.466 7.212 1.00 62.13 H new ATOM 0 HB2 SER A 36 17.397 -7.690 8.027 1.00 74.10 H new ATOM 0 HB3 SER A 36 17.896 -8.775 9.310 1.00 74.10 H new ATOM 0 HG SER A 36 19.293 -8.894 7.466 1.00 62.41 H new ATOM 513 N THR A 37 16.318 -11.793 7.925 1.00 3.23 N ATOM 514 CA THR A 37 16.372 -13.198 8.241 1.00 51.42 C ATOM 515 C THR A 37 15.029 -13.652 8.810 1.00 63.35 C ATOM 516 O THR A 37 14.829 -13.737 10.028 1.00 43.52 O ATOM 517 CB THR A 37 17.549 -13.544 9.175 1.00 23.54 C ATOM 518 OG1 THR A 37 18.737 -12.916 8.649 1.00 40.33 O ATOM 519 CG2 THR A 37 17.776 -15.050 9.211 1.00 4.42 C ATOM 0 H THR A 37 16.398 -11.605 6.926 1.00 3.23 H new ATOM 0 HA THR A 37 16.558 -13.749 7.319 1.00 51.42 H new ATOM 0 HB THR A 37 17.327 -13.194 10.183 1.00 23.54 H new ATOM 0 HG1 THR A 37 19.500 -13.121 9.229 1.00 40.33 H new ATOM 0 HG21 THR A 37 18.610 -15.276 9.875 1.00 4.42 H new ATOM 0 HG22 THR A 37 16.876 -15.545 9.577 1.00 4.42 H new ATOM 0 HG23 THR A 37 18.004 -15.408 8.207 1.00 4.42 H new ATOM 527 N GLY A 38 14.091 -13.795 7.917 1.00 23.31 N ATOM 528 CA GLY A 38 12.767 -14.217 8.263 1.00 75.05 C ATOM 529 C GLY A 38 11.756 -13.397 7.525 1.00 72.23 C ATOM 530 O GLY A 38 10.726 -13.896 7.097 1.00 54.34 O ATOM 0 H GLY A 38 14.227 -13.620 6.921 1.00 23.31 H new ATOM 0 HA2 GLY A 38 12.638 -15.272 8.020 1.00 75.05 H new ATOM 0 HA3 GLY A 38 12.614 -14.116 9.337 1.00 75.05 H new ATOM 534 N ALA A 39 12.093 -12.148 7.331 1.00 20.21 N ATOM 535 CA ALA A 39 11.237 -11.203 6.644 1.00 72.23 C ATOM 536 C ALA A 39 11.255 -11.470 5.141 1.00 43.31 C ATOM 537 O ALA A 39 10.222 -11.564 4.491 1.00 20.52 O ATOM 538 CB ALA A 39 11.711 -9.797 6.944 1.00 70.11 C ATOM 0 H ALA A 39 12.977 -11.750 7.647 1.00 20.21 H new ATOM 0 HA ALA A 39 10.211 -11.317 6.994 1.00 72.23 H new ATOM 0 HB1 ALA A 39 11.071 -9.080 6.430 1.00 70.11 H new ATOM 0 HB2 ALA A 39 11.665 -9.619 8.018 1.00 70.11 H new ATOM 0 HB3 ALA A 39 12.738 -9.678 6.600 1.00 70.11 H new ATOM 544 N GLU A 40 12.444 -11.645 4.616 1.00 31.13 N ATOM 545 CA GLU A 40 12.668 -11.887 3.202 1.00 23.21 C ATOM 546 C GLU A 40 12.489 -13.373 2.894 1.00 23.23 C ATOM 547 O GLU A 40 12.436 -13.791 1.740 1.00 24.40 O ATOM 548 CB GLU A 40 14.077 -11.407 2.763 1.00 13.21 C ATOM 549 CG GLU A 40 15.272 -12.164 3.363 1.00 21.34 C ATOM 550 CD GLU A 40 15.460 -11.969 4.844 1.00 23.11 C ATOM 551 OE1 GLU A 40 14.705 -12.557 5.630 1.00 51.12 O ATOM 552 OE2 GLU A 40 16.363 -11.214 5.252 1.00 24.30 O ATOM 0 H GLU A 40 13.303 -11.624 5.166 1.00 31.13 H new ATOM 0 HA GLU A 40 11.933 -11.314 2.637 1.00 23.21 H new ATOM 0 HB2 GLU A 40 14.139 -11.476 1.677 1.00 13.21 H new ATOM 0 HB3 GLU A 40 14.175 -10.353 3.022 1.00 13.21 H new ATOM 0 HG2 GLU A 40 15.148 -13.228 3.163 1.00 21.34 H new ATOM 0 HG3 GLU A 40 16.180 -11.847 2.850 1.00 21.34 H new ATOM 559 N ASN A 41 12.417 -14.157 3.958 1.00 44.33 N ATOM 560 CA ASN A 41 12.265 -15.610 3.888 1.00 12.20 C ATOM 561 C ASN A 41 10.944 -15.985 3.220 1.00 71.13 C ATOM 562 O ASN A 41 10.833 -17.029 2.585 1.00 42.12 O ATOM 563 CB ASN A 41 12.349 -16.204 5.304 1.00 20.15 C ATOM 564 CG ASN A 41 12.243 -17.726 5.371 1.00 64.34 C ATOM 565 OD1 ASN A 41 12.624 -18.441 4.446 1.00 41.14 O ATOM 566 ND2 ASN A 41 11.762 -18.225 6.480 1.00 75.44 N ATOM 0 H ASN A 41 12.463 -13.800 4.912 1.00 44.33 H new ATOM 0 HA ASN A 41 13.071 -16.023 3.282 1.00 12.20 H new ATOM 0 HB2 ASN A 41 13.294 -15.900 5.754 1.00 20.15 H new ATOM 0 HB3 ASN A 41 11.553 -15.772 5.911 1.00 20.15 H new ATOM 0 HD21 ASN A 41 11.694 -19.236 6.597 1.00 75.44 H new ATOM 0 HD22 ASN A 41 11.455 -17.603 7.228 1.00 75.44 H new ATOM 573 N LEU A 42 9.951 -15.128 3.357 1.00 72.25 N ATOM 574 CA LEU A 42 8.667 -15.334 2.739 1.00 14.53 C ATOM 575 C LEU A 42 8.470 -14.356 1.564 1.00 5.54 C ATOM 576 O LEU A 42 7.997 -13.243 1.757 1.00 43.41 O ATOM 577 CB LEU A 42 7.519 -15.156 3.762 1.00 22.32 C ATOM 578 CG LEU A 42 7.334 -16.219 4.881 1.00 33.11 C ATOM 579 CD1 LEU A 42 7.201 -17.620 4.309 1.00 32.13 C ATOM 580 CD2 LEU A 42 8.432 -16.155 5.937 1.00 75.15 C ATOM 0 H LEU A 42 10.018 -14.269 3.903 1.00 72.25 H new ATOM 0 HA LEU A 42 8.641 -16.357 2.363 1.00 14.53 H new ATOM 0 HB2 LEU A 42 7.657 -14.189 4.246 1.00 22.32 H new ATOM 0 HB3 LEU A 42 6.585 -15.102 3.202 1.00 22.32 H new ATOM 0 HG LEU A 42 6.398 -15.974 5.384 1.00 33.11 H new ATOM 0 HD11 LEU A 42 7.073 -18.334 5.122 1.00 32.13 H new ATOM 0 HD12 LEU A 42 6.335 -17.663 3.649 1.00 32.13 H new ATOM 0 HD13 LEU A 42 8.100 -17.869 3.745 1.00 32.13 H new ATOM 0 HD21 LEU A 42 8.254 -16.919 6.694 1.00 75.15 H new ATOM 0 HD22 LEU A 42 9.400 -16.329 5.467 1.00 75.15 H new ATOM 0 HD23 LEU A 42 8.429 -15.171 6.406 1.00 75.15 H new ATOM 592 N PRO A 43 8.884 -14.726 0.337 1.00 14.12 N ATOM 593 CA PRO A 43 8.720 -13.885 -0.832 1.00 20.05 C ATOM 594 C PRO A 43 7.519 -14.329 -1.681 1.00 61.32 C ATOM 595 O PRO A 43 7.396 -13.966 -2.853 1.00 72.24 O ATOM 596 CB PRO A 43 10.031 -14.134 -1.585 1.00 45.11 C ATOM 597 CG PRO A 43 10.468 -15.525 -1.182 1.00 1.01 C ATOM 598 CD PRO A 43 9.594 -15.958 -0.019 1.00 60.22 C ATOM 0 HA PRO A 43 8.530 -12.839 -0.591 1.00 20.05 H new ATOM 0 HB2 PRO A 43 9.884 -14.065 -2.663 1.00 45.11 H new ATOM 0 HB3 PRO A 43 10.784 -13.393 -1.318 1.00 45.11 H new ATOM 0 HG2 PRO A 43 10.364 -16.217 -2.018 1.00 1.01 H new ATOM 0 HG3 PRO A 43 11.519 -15.528 -0.894 1.00 1.01 H new ATOM 0 HD2 PRO A 43 8.905 -16.752 -0.306 1.00 60.22 H new ATOM 0 HD3 PRO A 43 10.188 -16.336 0.813 1.00 60.22 H new ATOM 606 N ALA A 44 6.655 -15.115 -1.083 1.00 13.14 N ATOM 607 CA ALA A 44 5.478 -15.645 -1.726 1.00 10.21 C ATOM 608 C ALA A 44 4.454 -15.908 -0.659 1.00 51.52 C ATOM 609 O ALA A 44 4.823 -16.152 0.501 1.00 3.13 O ATOM 610 CB ALA A 44 5.803 -16.926 -2.477 1.00 51.20 C ATOM 0 H ALA A 44 6.755 -15.410 -0.112 1.00 13.14 H new ATOM 0 HA ALA A 44 5.095 -14.930 -2.454 1.00 10.21 H new ATOM 0 HB1 ALA A 44 4.900 -17.307 -2.954 1.00 51.20 H new ATOM 0 HB2 ALA A 44 6.556 -16.721 -3.238 1.00 51.20 H new ATOM 0 HB3 ALA A 44 6.186 -17.670 -1.779 1.00 51.20 H new ATOM 616 N GLY A 45 3.192 -15.884 -1.029 1.00 62.51 N ATOM 617 CA GLY A 45 2.131 -16.008 -0.055 1.00 52.31 C ATOM 618 C GLY A 45 1.969 -14.700 0.668 1.00 43.32 C ATOM 619 O GLY A 45 1.572 -14.647 1.829 1.00 30.54 O ATOM 0 H GLY A 45 2.877 -15.780 -1.994 1.00 62.51 H new ATOM 0 HA2 GLY A 45 1.199 -16.283 -0.548 1.00 52.31 H new ATOM 0 HA3 GLY A 45 2.363 -16.803 0.654 1.00 52.31 H new ATOM 623 N SER A 46 2.272 -13.649 -0.040 1.00 41.31 N ATOM 624 CA SER A 46 2.290 -12.329 0.497 1.00 44.44 C ATOM 625 C SER A 46 0.934 -11.653 0.342 1.00 0.10 C ATOM 626 O SER A 46 0.058 -12.126 -0.385 1.00 60.12 O ATOM 627 CB SER A 46 3.342 -11.529 -0.258 1.00 50.52 C ATOM 628 OG SER A 46 4.600 -12.185 -0.239 1.00 74.33 O ATOM 0 H SER A 46 2.518 -13.693 -1.029 1.00 41.31 H new ATOM 0 HA SER A 46 2.521 -12.376 1.561 1.00 44.44 H new ATOM 0 HB2 SER A 46 3.021 -11.384 -1.289 1.00 50.52 H new ATOM 0 HB3 SER A 46 3.439 -10.539 0.188 1.00 50.52 H new ATOM 0 HG SER A 46 5.316 -11.522 -0.331 1.00 74.33 H new ATOM 634 N ALA A 47 0.764 -10.568 1.048 1.00 41.53 N ATOM 635 CA ALA A 47 -0.414 -9.765 0.947 1.00 63.32 C ATOM 636 C ALA A 47 -0.175 -8.708 -0.118 1.00 31.34 C ATOM 637 O ALA A 47 0.992 -8.458 -0.500 1.00 63.35 O ATOM 638 CB ALA A 47 -0.718 -9.129 2.288 1.00 54.00 C ATOM 0 H ALA A 47 1.450 -10.217 1.716 1.00 41.53 H new ATOM 0 HA ALA A 47 -1.273 -10.374 0.667 1.00 63.32 H new ATOM 0 HB1 ALA A 47 -1.617 -8.518 2.205 1.00 54.00 H new ATOM 0 HB2 ALA A 47 -0.876 -9.909 3.033 1.00 54.00 H new ATOM 0 HB3 ALA A 47 0.120 -8.502 2.592 1.00 54.00 H new ATOM 644 N LEU A 48 -1.224 -8.090 -0.598 1.00 44.21 N ATOM 645 CA LEU A 48 -1.079 -7.120 -1.650 1.00 34.15 C ATOM 646 C LEU A 48 -1.872 -5.885 -1.346 1.00 30.10 C ATOM 647 O LEU A 48 -2.818 -5.905 -0.548 1.00 31.41 O ATOM 648 CB LEU A 48 -1.499 -7.664 -3.043 1.00 42.43 C ATOM 649 CG LEU A 48 -3.007 -7.788 -3.363 1.00 41.11 C ATOM 650 CD1 LEU A 48 -3.196 -8.088 -4.833 1.00 4.12 C ATOM 651 CD2 LEU A 48 -3.670 -8.871 -2.539 1.00 63.30 C ATOM 0 H LEU A 48 -2.181 -8.240 -0.279 1.00 44.21 H new ATOM 0 HA LEU A 48 -0.016 -6.883 -1.694 1.00 34.15 H new ATOM 0 HB2 LEU A 48 -1.052 -7.019 -3.799 1.00 42.43 H new ATOM 0 HB3 LEU A 48 -1.053 -8.651 -3.162 1.00 42.43 H new ATOM 0 HG LEU A 48 -3.477 -6.837 -3.111 1.00 41.11 H new ATOM 0 HD11 LEU A 48 -4.260 -8.174 -5.053 1.00 4.12 H new ATOM 0 HD12 LEU A 48 -2.767 -7.281 -5.427 1.00 4.12 H new ATOM 0 HD13 LEU A 48 -2.697 -9.025 -5.080 1.00 4.12 H new ATOM 0 HD21 LEU A 48 -4.728 -8.926 -2.794 1.00 63.30 H new ATOM 0 HD22 LEU A 48 -3.196 -9.830 -2.749 1.00 63.30 H new ATOM 0 HD23 LEU A 48 -3.564 -8.639 -1.479 1.00 63.30 H new ATOM 663 N LEU A 49 -1.509 -4.839 -1.984 1.00 61.10 N ATOM 664 CA LEU A 49 -2.198 -3.612 -1.862 1.00 74.13 C ATOM 665 C LEU A 49 -2.647 -3.174 -3.220 1.00 72.13 C ATOM 666 O LEU A 49 -1.885 -3.255 -4.200 1.00 62.52 O ATOM 667 CB LEU A 49 -1.344 -2.506 -1.186 1.00 2.41 C ATOM 668 CG LEU A 49 0.044 -2.181 -1.787 1.00 1.41 C ATOM 669 CD1 LEU A 49 0.513 -0.829 -1.298 1.00 75.21 C ATOM 670 CD2 LEU A 49 1.072 -3.220 -1.373 1.00 31.30 C ATOM 0 H LEU A 49 -0.710 -4.810 -2.618 1.00 61.10 H new ATOM 0 HA LEU A 49 -3.058 -3.771 -1.211 1.00 74.13 H new ATOM 0 HB2 LEU A 49 -1.930 -1.587 -1.186 1.00 2.41 H new ATOM 0 HB3 LEU A 49 -1.197 -2.790 -0.144 1.00 2.41 H new ATOM 0 HG LEU A 49 -0.055 -2.181 -2.873 1.00 1.41 H new ATOM 0 HD11 LEU A 49 1.491 -0.607 -1.725 1.00 75.21 H new ATOM 0 HD12 LEU A 49 -0.200 -0.064 -1.605 1.00 75.21 H new ATOM 0 HD13 LEU A 49 0.586 -0.841 -0.211 1.00 75.21 H new ATOM 0 HD21 LEU A 49 2.039 -2.969 -1.809 1.00 31.30 H new ATOM 0 HD22 LEU A 49 1.156 -3.236 -0.286 1.00 31.30 H new ATOM 0 HD23 LEU A 49 0.759 -4.202 -1.727 1.00 31.30 H new ATOM 682 N VAL A 50 -3.880 -2.784 -3.305 1.00 32.20 N ATOM 683 CA VAL A 50 -4.410 -2.253 -4.509 1.00 21.10 C ATOM 684 C VAL A 50 -4.647 -0.778 -4.279 1.00 2.51 C ATOM 685 O VAL A 50 -5.402 -0.373 -3.385 1.00 74.33 O ATOM 686 CB VAL A 50 -5.708 -3.002 -5.023 1.00 14.25 C ATOM 687 CG1 VAL A 50 -5.416 -4.468 -5.297 1.00 21.01 C ATOM 688 CG2 VAL A 50 -6.877 -2.889 -4.058 1.00 34.43 C ATOM 0 H VAL A 50 -4.546 -2.828 -2.534 1.00 32.20 H new ATOM 0 HA VAL A 50 -3.692 -2.406 -5.315 1.00 21.10 H new ATOM 0 HB VAL A 50 -5.996 -2.505 -5.949 1.00 14.25 H new ATOM 0 HG11 VAL A 50 -6.323 -4.960 -5.649 1.00 21.01 H new ATOM 0 HG12 VAL A 50 -4.641 -4.548 -6.059 1.00 21.01 H new ATOM 0 HG13 VAL A 50 -5.075 -4.949 -4.380 1.00 21.01 H new ATOM 0 HG21 VAL A 50 -7.737 -3.421 -4.464 1.00 34.43 H new ATOM 0 HG22 VAL A 50 -6.600 -3.326 -3.098 1.00 34.43 H new ATOM 0 HG23 VAL A 50 -7.133 -1.839 -3.918 1.00 34.43 H new ATOM 698 N VAL A 51 -3.958 0.025 -4.998 1.00 5.55 N ATOM 699 CA VAL A 51 -4.058 1.424 -4.792 1.00 22.00 C ATOM 700 C VAL A 51 -5.108 1.956 -5.732 1.00 54.33 C ATOM 701 O VAL A 51 -4.969 1.862 -6.950 1.00 70.31 O ATOM 702 CB VAL A 51 -2.693 2.132 -5.021 1.00 75.54 C ATOM 703 CG1 VAL A 51 -2.754 3.536 -4.498 1.00 5.22 C ATOM 704 CG2 VAL A 51 -1.554 1.370 -4.348 1.00 12.11 C ATOM 0 H VAL A 51 -3.316 -0.260 -5.737 1.00 5.55 H new ATOM 0 HA VAL A 51 -4.341 1.625 -3.759 1.00 22.00 H new ATOM 0 HB VAL A 51 -2.495 2.153 -6.093 1.00 75.54 H new ATOM 0 HG11 VAL A 51 -1.795 4.027 -4.661 1.00 5.22 H new ATOM 0 HG12 VAL A 51 -3.537 4.085 -5.021 1.00 5.22 H new ATOM 0 HG13 VAL A 51 -2.975 3.517 -3.431 1.00 5.22 H new ATOM 0 HG21 VAL A 51 -0.613 1.890 -4.526 1.00 12.11 H new ATOM 0 HG22 VAL A 51 -1.739 1.312 -3.275 1.00 12.11 H new ATOM 0 HG23 VAL A 51 -1.496 0.363 -4.761 1.00 12.11 H new ATOM 714 N LYS A 52 -6.183 2.470 -5.162 1.00 73.30 N ATOM 715 CA LYS A 52 -7.300 2.965 -5.942 1.00 54.32 C ATOM 716 C LYS A 52 -6.867 4.267 -6.587 1.00 34.11 C ATOM 717 O LYS A 52 -7.186 4.558 -7.738 1.00 52.21 O ATOM 718 CB LYS A 52 -8.515 3.188 -5.026 1.00 63.34 C ATOM 719 CG LYS A 52 -9.852 3.240 -5.748 1.00 44.35 C ATOM 720 CD LYS A 52 -10.178 1.883 -6.369 1.00 3.10 C ATOM 721 CE LYS A 52 -11.526 1.876 -7.061 1.00 41.24 C ATOM 722 NZ LYS A 52 -11.575 2.801 -8.209 1.00 31.11 N ATOM 0 H LYS A 52 -6.305 2.555 -4.153 1.00 73.30 H new ATOM 0 HA LYS A 52 -7.588 2.247 -6.710 1.00 54.32 H new ATOM 0 HB2 LYS A 52 -8.547 2.388 -4.286 1.00 63.34 H new ATOM 0 HB3 LYS A 52 -8.375 4.121 -4.480 1.00 63.34 H new ATOM 0 HG2 LYS A 52 -10.638 3.525 -5.049 1.00 44.35 H new ATOM 0 HG3 LYS A 52 -9.823 4.004 -6.525 1.00 44.35 H new ATOM 0 HD2 LYS A 52 -9.402 1.619 -7.087 1.00 3.10 H new ATOM 0 HD3 LYS A 52 -10.167 1.118 -5.592 1.00 3.10 H new ATOM 0 HE2 LYS A 52 -11.750 0.866 -7.403 1.00 41.24 H new ATOM 0 HE3 LYS A 52 -12.300 2.150 -6.344 1.00 41.24 H new ATOM 0 HZ1 LYS A 52 -12.480 2.686 -8.709 1.00 31.11 H new ATOM 0 HZ2 LYS A 52 -11.489 3.780 -7.870 1.00 31.11 H new ATOM 0 HZ3 LYS A 52 -10.791 2.590 -8.859 1.00 31.11 H new ATOM 736 N ARG A 53 -6.122 5.016 -5.810 1.00 3.13 N ATOM 737 CA ARG A 53 -5.479 6.244 -6.208 1.00 61.33 C ATOM 738 C ARG A 53 -4.666 6.696 -5.031 1.00 61.22 C ATOM 739 O ARG A 53 -5.222 7.035 -3.980 1.00 72.33 O ATOM 740 CB ARG A 53 -6.466 7.355 -6.621 1.00 31.02 C ATOM 741 CG ARG A 53 -5.754 8.599 -7.144 1.00 40.32 C ATOM 742 CD ARG A 53 -6.716 9.712 -7.513 1.00 34.12 C ATOM 743 NE ARG A 53 -5.992 10.898 -8.004 1.00 3.43 N ATOM 744 CZ ARG A 53 -6.349 12.174 -7.785 1.00 34.33 C ATOM 745 NH1 ARG A 53 -7.463 12.459 -7.114 1.00 41.12 N ATOM 746 NH2 ARG A 53 -5.588 13.160 -8.252 1.00 63.42 N ATOM 0 H ARG A 53 -5.939 4.773 -4.836 1.00 3.13 H new ATOM 0 HA ARG A 53 -4.872 6.054 -7.093 1.00 61.33 H new ATOM 0 HB2 ARG A 53 -7.138 6.973 -7.390 1.00 31.02 H new ATOM 0 HB3 ARG A 53 -7.083 7.626 -5.765 1.00 31.02 H new ATOM 0 HG2 ARG A 53 -5.060 8.961 -6.386 1.00 40.32 H new ATOM 0 HG3 ARG A 53 -5.161 8.332 -8.019 1.00 40.32 H new ATOM 0 HD2 ARG A 53 -7.407 9.361 -8.280 1.00 34.12 H new ATOM 0 HD3 ARG A 53 -7.315 9.982 -6.644 1.00 34.12 H new ATOM 0 HE ARG A 53 -5.150 10.736 -8.556 1.00 3.43 H new ATOM 0 HH11 ARG A 53 -8.053 11.705 -6.762 1.00 41.12 H new ATOM 0 HH12 ARG A 53 -7.726 13.431 -6.952 1.00 41.12 H new ATOM 0 HH21 ARG A 53 -4.738 12.945 -8.773 1.00 63.42 H new ATOM 0 HH22 ARG A 53 -5.854 14.131 -8.089 1.00 63.42 H new ATOM 760 N GLY A 54 -3.381 6.640 -5.171 1.00 43.42 N ATOM 761 CA GLY A 54 -2.513 6.988 -4.105 1.00 22.21 C ATOM 762 C GLY A 54 -1.578 8.077 -4.499 1.00 54.40 C ATOM 763 O GLY A 54 -1.456 8.386 -5.680 1.00 61.24 O ATOM 0 H GLY A 54 -2.909 6.352 -6.028 1.00 43.42 H new ATOM 0 HA2 GLY A 54 -3.101 7.305 -3.244 1.00 22.21 H new ATOM 0 HA3 GLY A 54 -1.943 6.111 -3.797 1.00 22.21 H new ATOM 767 N PRO A 55 -0.910 8.690 -3.537 1.00 54.01 N ATOM 768 CA PRO A 55 0.040 9.772 -3.793 1.00 1.52 C ATOM 769 C PRO A 55 1.284 9.264 -4.499 1.00 12.10 C ATOM 770 O PRO A 55 2.004 10.012 -5.173 1.00 0.35 O ATOM 771 CB PRO A 55 0.393 10.258 -2.401 1.00 64.32 C ATOM 772 CG PRO A 55 0.149 9.105 -1.507 1.00 31.25 C ATOM 773 CD PRO A 55 -1.004 8.370 -2.095 1.00 20.12 C ATOM 0 HA PRO A 55 -0.374 10.547 -4.438 1.00 1.52 H new ATOM 0 HB2 PRO A 55 1.433 10.581 -2.350 1.00 64.32 H new ATOM 0 HB3 PRO A 55 -0.221 11.113 -2.116 1.00 64.32 H new ATOM 0 HG2 PRO A 55 1.029 8.465 -1.445 1.00 31.25 H new ATOM 0 HG3 PRO A 55 -0.075 9.437 -0.493 1.00 31.25 H new ATOM 0 HD2 PRO A 55 -0.932 7.297 -1.915 1.00 20.12 H new ATOM 0 HD3 PRO A 55 -1.952 8.701 -1.670 1.00 20.12 H new ATOM 781 N ASN A 56 1.527 7.998 -4.324 1.00 40.21 N ATOM 782 CA ASN A 56 2.675 7.346 -4.864 1.00 24.55 C ATOM 783 C ASN A 56 2.336 6.603 -6.154 1.00 32.10 C ATOM 784 O ASN A 56 2.970 6.811 -7.179 1.00 73.12 O ATOM 785 CB ASN A 56 3.291 6.366 -3.821 1.00 62.01 C ATOM 786 CG ASN A 56 2.332 5.284 -3.302 1.00 63.14 C ATOM 787 OD1 ASN A 56 1.114 5.483 -3.220 1.00 3.02 O ATOM 788 ND2 ASN A 56 2.868 4.147 -2.943 1.00 43.25 N ATOM 0 H ASN A 56 0.917 7.380 -3.789 1.00 40.21 H new ATOM 0 HA ASN A 56 3.411 8.114 -5.101 1.00 24.55 H new ATOM 0 HB2 ASN A 56 4.156 5.878 -4.270 1.00 62.01 H new ATOM 0 HB3 ASN A 56 3.656 6.945 -2.972 1.00 62.01 H new ATOM 0 HD21 ASN A 56 2.278 3.396 -2.584 1.00 43.25 H new ATOM 0 HD22 ASN A 56 3.876 4.011 -3.022 1.00 43.25 H new ATOM 795 N ALA A 57 1.313 5.771 -6.105 1.00 64.42 N ATOM 796 CA ALA A 57 0.975 4.910 -7.209 1.00 1.43 C ATOM 797 C ALA A 57 -0.536 4.756 -7.322 1.00 72.54 C ATOM 798 O ALA A 57 -1.289 5.424 -6.623 1.00 41.23 O ATOM 799 CB ALA A 57 1.631 3.545 -6.992 1.00 63.14 C ATOM 0 H ALA A 57 0.697 5.677 -5.297 1.00 64.42 H new ATOM 0 HA ALA A 57 1.341 5.350 -8.137 1.00 1.43 H new ATOM 0 HB1 ALA A 57 1.381 2.885 -7.823 1.00 63.14 H new ATOM 0 HB2 ALA A 57 2.713 3.666 -6.937 1.00 63.14 H new ATOM 0 HB3 ALA A 57 1.267 3.110 -6.061 1.00 63.14 H new ATOM 805 N GLY A 58 -0.957 3.885 -8.201 1.00 11.12 N ATOM 806 CA GLY A 58 -2.346 3.592 -8.411 1.00 2.33 C ATOM 807 C GLY A 58 -2.470 2.259 -9.101 1.00 31.11 C ATOM 808 O GLY A 58 -3.225 2.103 -10.059 1.00 32.45 O ATOM 0 H GLY A 58 -0.330 3.350 -8.802 1.00 11.12 H new ATOM 0 HA2 GLY A 58 -2.874 3.573 -7.458 1.00 2.33 H new ATOM 0 HA3 GLY A 58 -2.808 4.373 -9.016 1.00 2.33 H new ATOM 812 N ALA A 59 -1.726 1.297 -8.600 1.00 13.24 N ATOM 813 CA ALA A 59 -1.636 -0.018 -9.190 1.00 41.25 C ATOM 814 C ALA A 59 -1.777 -1.061 -8.092 1.00 12.33 C ATOM 815 O ALA A 59 -2.122 -0.721 -6.956 1.00 74.33 O ATOM 816 CB ALA A 59 -0.292 -0.163 -9.906 1.00 12.13 C ATOM 0 H ALA A 59 -1.159 1.409 -7.759 1.00 13.24 H new ATOM 0 HA ALA A 59 -2.433 -0.161 -9.920 1.00 41.25 H new ATOM 0 HB1 ALA A 59 -0.222 -1.155 -10.352 1.00 12.13 H new ATOM 0 HB2 ALA A 59 -0.213 0.593 -10.688 1.00 12.13 H new ATOM 0 HB3 ALA A 59 0.518 -0.030 -9.189 1.00 12.13 H new ATOM 822 N ARG A 60 -1.518 -2.303 -8.410 1.00 5.33 N ATOM 823 CA ARG A 60 -1.623 -3.375 -7.440 1.00 62.24 C ATOM 824 C ARG A 60 -0.324 -4.162 -7.375 1.00 61.12 C ATOM 825 O ARG A 60 0.274 -4.466 -8.413 1.00 53.12 O ATOM 826 CB ARG A 60 -2.807 -4.286 -7.786 1.00 65.43 C ATOM 827 CG ARG A 60 -2.746 -4.913 -9.179 1.00 25.11 C ATOM 828 CD ARG A 60 -3.976 -5.755 -9.484 1.00 23.01 C ATOM 829 NE ARG A 60 -4.096 -6.942 -8.619 1.00 64.44 N ATOM 830 CZ ARG A 60 -5.232 -7.637 -8.431 1.00 41.41 C ATOM 831 NH1 ARG A 60 -6.356 -7.246 -9.027 1.00 62.54 N ATOM 832 NH2 ARG A 60 -5.230 -8.730 -7.673 1.00 13.13 N ATOM 0 H ARG A 60 -1.230 -2.604 -9.341 1.00 5.33 H new ATOM 0 HA ARG A 60 -1.802 -2.945 -6.455 1.00 62.24 H new ATOM 0 HB2 ARG A 60 -2.862 -5.084 -7.046 1.00 65.43 H new ATOM 0 HB3 ARG A 60 -3.728 -3.709 -7.702 1.00 65.43 H new ATOM 0 HG2 ARG A 60 -2.652 -4.125 -9.926 1.00 25.11 H new ATOM 0 HG3 ARG A 60 -1.854 -5.534 -9.257 1.00 25.11 H new ATOM 0 HD2 ARG A 60 -4.868 -5.139 -9.370 1.00 23.01 H new ATOM 0 HD3 ARG A 60 -3.941 -6.074 -10.526 1.00 23.01 H new ATOM 0 HE ARG A 60 -3.259 -7.259 -8.129 1.00 64.44 H new ATOM 0 HH11 ARG A 60 -6.355 -6.420 -9.626 1.00 62.54 H new ATOM 0 HH12 ARG A 60 -7.218 -7.772 -8.885 1.00 62.54 H new ATOM 0 HH21 ARG A 60 -4.365 -9.043 -7.232 1.00 13.13 H new ATOM 0 HH22 ARG A 60 -6.093 -9.255 -7.532 1.00 13.13 H new ATOM 846 N PHE A 61 0.135 -4.462 -6.176 1.00 52.33 N ATOM 847 CA PHE A 61 1.370 -5.212 -6.011 1.00 62.14 C ATOM 848 C PHE A 61 1.447 -5.944 -4.676 1.00 43.23 C ATOM 849 O PHE A 61 0.854 -5.513 -3.682 1.00 14.45 O ATOM 850 CB PHE A 61 2.628 -4.335 -6.266 1.00 61.01 C ATOM 851 CG PHE A 61 2.738 -3.056 -5.460 1.00 34.30 C ATOM 852 CD1 PHE A 61 2.151 -1.878 -5.912 1.00 63.45 C ATOM 853 CD2 PHE A 61 3.455 -3.023 -4.275 1.00 4.54 C ATOM 854 CE1 PHE A 61 2.276 -0.703 -5.198 1.00 72.03 C ATOM 855 CE2 PHE A 61 3.581 -1.848 -3.554 1.00 72.14 C ATOM 856 CZ PHE A 61 2.991 -0.689 -4.017 1.00 34.21 C ATOM 0 H PHE A 61 -0.324 -4.201 -5.304 1.00 52.33 H new ATOM 0 HA PHE A 61 1.356 -5.984 -6.781 1.00 62.14 H new ATOM 0 HB2 PHE A 61 3.512 -4.941 -6.066 1.00 61.01 H new ATOM 0 HB3 PHE A 61 2.653 -4.074 -7.324 1.00 61.01 H new ATOM 0 HD1 PHE A 61 1.590 -1.883 -6.835 1.00 63.45 H new ATOM 0 HD2 PHE A 61 3.922 -3.926 -3.909 1.00 4.54 H new ATOM 0 HE1 PHE A 61 1.815 0.203 -5.563 1.00 72.03 H new ATOM 0 HE2 PHE A 61 4.140 -1.838 -2.630 1.00 72.14 H new ATOM 0 HZ PHE A 61 3.089 0.228 -3.456 1.00 34.21 H new ATOM 866 N LEU A 62 2.139 -7.069 -4.696 1.00 51.20 N ATOM 867 CA LEU A 62 2.383 -7.915 -3.527 1.00 72.35 C ATOM 868 C LEU A 62 3.703 -7.530 -2.882 1.00 14.44 C ATOM 869 O LEU A 62 4.631 -7.135 -3.582 1.00 34.41 O ATOM 870 CB LEU A 62 2.423 -9.428 -3.884 1.00 62.32 C ATOM 871 CG LEU A 62 1.107 -10.121 -4.313 1.00 64.14 C ATOM 872 CD1 LEU A 62 0.614 -9.643 -5.673 1.00 62.21 C ATOM 873 CD2 LEU A 62 1.274 -11.634 -4.305 1.00 30.25 C ATOM 0 H LEU A 62 2.562 -7.436 -5.549 1.00 51.20 H new ATOM 0 HA LEU A 62 1.553 -7.754 -2.839 1.00 72.35 H new ATOM 0 HB2 LEU A 62 3.145 -9.559 -4.690 1.00 62.32 H new ATOM 0 HB3 LEU A 62 2.812 -9.963 -3.018 1.00 62.32 H new ATOM 0 HG LEU A 62 0.346 -9.843 -3.583 1.00 64.14 H new ATOM 0 HD11 LEU A 62 -0.311 -10.160 -5.927 1.00 62.21 H new ATOM 0 HD12 LEU A 62 0.432 -8.569 -5.637 1.00 62.21 H new ATOM 0 HD13 LEU A 62 1.369 -9.858 -6.430 1.00 62.21 H new ATOM 0 HD21 LEU A 62 0.339 -12.105 -4.609 1.00 30.25 H new ATOM 0 HD22 LEU A 62 2.065 -11.916 -4.999 1.00 30.25 H new ATOM 0 HD23 LEU A 62 1.537 -11.966 -3.301 1.00 30.25 H new ATOM 885 N LEU A 63 3.766 -7.548 -1.565 1.00 13.44 N ATOM 886 CA LEU A 63 5.026 -7.262 -0.875 1.00 32.50 C ATOM 887 C LEU A 63 5.979 -8.459 -1.001 1.00 71.42 C ATOM 888 O LEU A 63 5.700 -9.542 -0.488 1.00 22.43 O ATOM 889 CB LEU A 63 4.824 -6.919 0.627 1.00 32.41 C ATOM 890 CG LEU A 63 4.049 -5.629 0.991 1.00 70.03 C ATOM 891 CD1 LEU A 63 4.609 -4.409 0.269 1.00 73.55 C ATOM 892 CD2 LEU A 63 2.549 -5.775 0.769 1.00 64.33 C ATOM 0 H LEU A 63 2.977 -7.753 -0.952 1.00 13.44 H new ATOM 0 HA LEU A 63 5.456 -6.384 -1.356 1.00 32.50 H new ATOM 0 HB2 LEU A 63 4.308 -7.759 1.093 1.00 32.41 H new ATOM 0 HB3 LEU A 63 5.810 -6.855 1.088 1.00 32.41 H new ATOM 0 HG LEU A 63 4.195 -5.468 2.059 1.00 70.03 H new ATOM 0 HD11 LEU A 63 4.038 -3.525 0.552 1.00 73.55 H new ATOM 0 HD12 LEU A 63 5.654 -4.270 0.547 1.00 73.55 H new ATOM 0 HD13 LEU A 63 4.537 -4.559 -0.808 1.00 73.55 H new ATOM 0 HD21 LEU A 63 2.049 -4.845 1.038 1.00 64.33 H new ATOM 0 HD22 LEU A 63 2.357 -6.000 -0.280 1.00 64.33 H new ATOM 0 HD23 LEU A 63 2.166 -6.585 1.390 1.00 64.33 H new ATOM 904 N ASP A 64 7.085 -8.253 -1.679 1.00 64.52 N ATOM 905 CA ASP A 64 8.091 -9.313 -1.894 1.00 71.41 C ATOM 906 C ASP A 64 9.347 -8.942 -1.149 1.00 24.43 C ATOM 907 O ASP A 64 10.384 -9.580 -1.303 1.00 62.33 O ATOM 908 CB ASP A 64 8.527 -9.386 -3.375 1.00 43.01 C ATOM 909 CG ASP A 64 7.430 -9.461 -4.395 1.00 31.22 C ATOM 910 OD1 ASP A 64 7.012 -10.567 -4.767 1.00 21.12 O ATOM 911 OD2 ASP A 64 7.022 -8.411 -4.913 1.00 71.02 O ATOM 0 H ASP A 64 7.328 -7.357 -2.102 1.00 64.52 H new ATOM 0 HA ASP A 64 7.645 -10.253 -1.568 1.00 71.41 H new ATOM 0 HB2 ASP A 64 9.137 -8.509 -3.594 1.00 43.01 H new ATOM 0 HB3 ASP A 64 9.168 -10.259 -3.499 1.00 43.01 H new ATOM 916 N GLN A 65 9.262 -7.921 -0.349 1.00 61.41 N ATOM 917 CA GLN A 65 10.441 -7.315 0.198 1.00 71.21 C ATOM 918 C GLN A 65 10.288 -6.988 1.686 1.00 64.44 C ATOM 919 O GLN A 65 9.265 -6.429 2.092 1.00 21.55 O ATOM 920 CB GLN A 65 10.718 -6.075 -0.640 1.00 51.43 C ATOM 921 CG GLN A 65 11.833 -5.178 -0.186 1.00 14.22 C ATOM 922 CD GLN A 65 12.032 -4.081 -1.184 1.00 63.51 C ATOM 923 OE1 GLN A 65 12.852 -4.196 -2.103 1.00 20.41 O ATOM 924 NE2 GLN A 65 11.235 -3.059 -1.082 1.00 2.43 N ATOM 0 H GLN A 65 8.385 -7.488 -0.059 1.00 61.41 H new ATOM 0 HA GLN A 65 11.284 -8.005 0.153 1.00 71.21 H new ATOM 0 HB2 GLN A 65 10.936 -6.397 -1.658 1.00 51.43 H new ATOM 0 HB3 GLN A 65 9.803 -5.483 -0.681 1.00 51.43 H new ATOM 0 HG2 GLN A 65 11.599 -4.756 0.791 1.00 14.22 H new ATOM 0 HG3 GLN A 65 12.753 -5.752 -0.073 1.00 14.22 H new ATOM 0 HE21 GLN A 65 10.573 -3.004 -0.308 1.00 2.43 H new ATOM 0 HE22 GLN A 65 11.271 -2.313 -1.776 1.00 2.43 H new ATOM 933 N PRO A 66 11.333 -7.331 2.504 1.00 52.45 N ATOM 934 CA PRO A 66 11.347 -7.141 3.974 1.00 11.12 C ATOM 935 C PRO A 66 11.006 -5.717 4.417 1.00 75.23 C ATOM 936 O PRO A 66 10.006 -5.489 5.110 1.00 53.44 O ATOM 937 CB PRO A 66 12.798 -7.493 4.376 1.00 34.14 C ATOM 938 CG PRO A 66 13.563 -7.538 3.099 1.00 71.53 C ATOM 939 CD PRO A 66 12.585 -7.965 2.054 1.00 54.34 C ATOM 0 HA PRO A 66 10.587 -7.760 4.450 1.00 11.12 H new ATOM 0 HB2 PRO A 66 13.210 -6.746 5.054 1.00 34.14 H new ATOM 0 HB3 PRO A 66 12.841 -8.451 4.893 1.00 34.14 H new ATOM 0 HG2 PRO A 66 13.987 -6.562 2.862 1.00 71.53 H new ATOM 0 HG3 PRO A 66 14.395 -8.239 3.166 1.00 71.53 H new ATOM 0 HD2 PRO A 66 12.878 -7.623 1.061 1.00 54.34 H new ATOM 0 HD3 PRO A 66 12.494 -9.050 2.004 1.00 54.34 H new ATOM 947 N THR A 67 11.828 -4.781 4.022 1.00 31.15 N ATOM 948 CA THR A 67 11.619 -3.410 4.338 1.00 75.41 C ATOM 949 C THR A 67 11.397 -2.628 3.059 1.00 14.24 C ATOM 950 O THR A 67 12.297 -2.507 2.214 1.00 70.44 O ATOM 951 CB THR A 67 12.816 -2.817 5.125 1.00 34.45 C ATOM 952 OG1 THR A 67 12.997 -3.541 6.362 1.00 30.54 O ATOM 953 CG2 THR A 67 12.583 -1.340 5.431 1.00 53.14 C ATOM 0 H THR A 67 12.666 -4.960 3.468 1.00 31.15 H new ATOM 0 HA THR A 67 10.738 -3.335 4.975 1.00 75.41 H new ATOM 0 HB THR A 67 13.711 -2.911 4.510 1.00 34.45 H new ATOM 0 HG1 THR A 67 13.756 -3.163 6.854 1.00 30.54 H new ATOM 0 HG21 THR A 67 13.435 -0.944 5.984 1.00 53.14 H new ATOM 0 HG22 THR A 67 12.468 -0.789 4.498 1.00 53.14 H new ATOM 0 HG23 THR A 67 11.679 -1.231 6.031 1.00 53.14 H new ATOM 961 N THR A 68 10.209 -2.178 2.881 1.00 65.44 N ATOM 962 CA THR A 68 9.881 -1.380 1.758 1.00 42.02 C ATOM 963 C THR A 68 9.628 0.054 2.222 1.00 43.33 C ATOM 964 O THR A 68 8.679 0.313 2.948 1.00 31.24 O ATOM 965 CB THR A 68 8.638 -1.967 1.078 1.00 1.51 C ATOM 966 OG1 THR A 68 8.915 -3.335 0.714 1.00 15.34 O ATOM 967 CG2 THR A 68 8.253 -1.181 -0.158 1.00 53.11 C ATOM 0 H THR A 68 9.431 -2.355 3.516 1.00 65.44 H new ATOM 0 HA THR A 68 10.700 -1.371 1.039 1.00 42.02 H new ATOM 0 HB THR A 68 7.802 -1.915 1.776 1.00 1.51 H new ATOM 0 HG1 THR A 68 8.127 -3.724 0.279 1.00 15.34 H new ATOM 0 HG21 THR A 68 7.368 -1.627 -0.612 1.00 53.11 H new ATOM 0 HG22 THR A 68 8.037 -0.149 0.119 1.00 53.11 H new ATOM 0 HG23 THR A 68 9.076 -1.200 -0.872 1.00 53.11 H new ATOM 975 N THR A 69 10.481 0.958 1.816 1.00 32.42 N ATOM 976 CA THR A 69 10.356 2.328 2.213 1.00 73.21 C ATOM 977 C THR A 69 9.608 3.106 1.126 1.00 42.22 C ATOM 978 O THR A 69 9.879 2.946 -0.090 1.00 71.23 O ATOM 979 CB THR A 69 11.756 2.964 2.541 1.00 63.23 C ATOM 980 OG1 THR A 69 11.609 4.297 3.032 1.00 32.25 O ATOM 981 CG2 THR A 69 12.689 2.965 1.327 1.00 10.24 C ATOM 0 H THR A 69 11.275 0.763 1.206 1.00 32.42 H new ATOM 0 HA THR A 69 9.776 2.381 3.135 1.00 73.21 H new ATOM 0 HB THR A 69 12.207 2.342 3.314 1.00 63.23 H new ATOM 0 HG1 THR A 69 11.523 4.278 4.008 1.00 32.25 H new ATOM 0 HG21 THR A 69 13.643 3.414 1.602 1.00 10.24 H new ATOM 0 HG22 THR A 69 12.853 1.940 0.993 1.00 10.24 H new ATOM 0 HG23 THR A 69 12.236 3.542 0.520 1.00 10.24 H new ATOM 989 N ALA A 70 8.647 3.880 1.544 1.00 14.01 N ATOM 990 CA ALA A 70 7.820 4.631 0.659 1.00 51.12 C ATOM 991 C ALA A 70 7.794 6.081 1.072 1.00 22.24 C ATOM 992 O ALA A 70 7.476 6.414 2.216 1.00 0.11 O ATOM 993 CB ALA A 70 6.410 4.068 0.674 1.00 24.43 C ATOM 0 H ALA A 70 8.417 4.005 2.530 1.00 14.01 H new ATOM 0 HA ALA A 70 8.228 4.560 -0.349 1.00 51.12 H new ATOM 0 HB1 ALA A 70 5.781 4.645 -0.004 1.00 24.43 H new ATOM 0 HB2 ALA A 70 6.431 3.027 0.352 1.00 24.43 H new ATOM 0 HB3 ALA A 70 6.005 4.128 1.684 1.00 24.43 H new ATOM 999 N GLY A 71 8.131 6.945 0.161 1.00 35.15 N ATOM 1000 CA GLY A 71 8.073 8.347 0.472 1.00 75.14 C ATOM 1001 C GLY A 71 9.325 8.824 1.128 1.00 71.41 C ATOM 1002 O GLY A 71 9.287 9.676 2.001 1.00 22.22 O ATOM 0 H GLY A 71 8.442 6.715 -0.783 1.00 35.15 H new ATOM 0 HA2 GLY A 71 7.903 8.915 -0.443 1.00 75.14 H new ATOM 0 HA3 GLY A 71 7.224 8.538 1.128 1.00 75.14 H new ATOM 1006 N ARG A 72 10.424 8.244 0.745 1.00 63.41 N ATOM 1007 CA ARG A 72 11.703 8.656 1.242 1.00 20.15 C ATOM 1008 C ARG A 72 12.523 8.996 0.038 1.00 73.12 C ATOM 1009 O ARG A 72 13.170 8.119 -0.537 1.00 30.31 O ATOM 1010 CB ARG A 72 12.365 7.538 2.089 1.00 74.52 C ATOM 1011 CG ARG A 72 13.517 7.990 3.012 1.00 11.35 C ATOM 1012 CD ARG A 72 14.760 8.443 2.273 1.00 42.41 C ATOM 1013 NE ARG A 72 15.786 8.943 3.189 1.00 52.41 N ATOM 1014 CZ ARG A 72 17.061 9.202 2.868 1.00 10.22 C ATOM 1015 NH1 ARG A 72 17.509 8.987 1.632 1.00 44.32 N ATOM 1016 NH2 ARG A 72 17.880 9.667 3.797 1.00 71.02 N ATOM 0 H ARG A 72 10.459 7.472 0.079 1.00 63.41 H new ATOM 0 HA ARG A 72 11.613 9.514 1.908 1.00 20.15 H new ATOM 0 HB2 ARG A 72 11.596 7.069 2.702 1.00 74.52 H new ATOM 0 HB3 ARG A 72 12.745 6.772 1.413 1.00 74.52 H new ATOM 0 HG2 ARG A 72 13.164 8.806 3.642 1.00 11.35 H new ATOM 0 HG3 ARG A 72 13.781 7.166 3.675 1.00 11.35 H new ATOM 0 HD2 ARG A 72 15.163 7.611 1.696 1.00 42.41 H new ATOM 0 HD3 ARG A 72 14.495 9.226 1.562 1.00 42.41 H new ATOM 0 HE ARG A 72 15.506 9.109 4.156 1.00 52.41 H new ATOM 0 HH11 ARG A 72 16.879 8.621 0.918 1.00 44.32 H new ATOM 0 HH12 ARG A 72 18.482 9.188 1.400 1.00 44.32 H new ATOM 0 HH21 ARG A 72 17.539 9.825 4.745 1.00 71.02 H new ATOM 0 HH22 ARG A 72 18.853 9.868 3.565 1.00 71.02 H new ATOM 1030 N HIS A 73 12.413 10.251 -0.398 1.00 53.30 N ATOM 1031 CA HIS A 73 13.050 10.741 -1.613 1.00 2.40 C ATOM 1032 C HIS A 73 12.429 10.041 -2.851 1.00 63.34 C ATOM 1033 O HIS A 73 11.616 9.115 -2.710 1.00 72.22 O ATOM 1034 CB HIS A 73 14.580 10.498 -1.581 1.00 1.30 C ATOM 1035 CG HIS A 73 15.366 11.290 -0.578 1.00 5.41 C ATOM 1036 ND1 HIS A 73 16.715 11.505 -0.690 1.00 23.23 N ATOM 1037 CD2 HIS A 73 14.980 11.914 0.564 1.00 63.24 C ATOM 1038 CE1 HIS A 73 17.108 12.237 0.355 1.00 61.32 C ATOM 1039 NE2 HIS A 73 16.088 12.517 1.154 1.00 1.11 N ATOM 0 H HIS A 73 11.871 10.963 0.092 1.00 53.30 H new ATOM 0 HA HIS A 73 12.879 11.816 -1.678 1.00 2.40 H new ATOM 0 HB2 HIS A 73 14.753 9.439 -1.389 1.00 1.30 H new ATOM 0 HB3 HIS A 73 14.980 10.712 -2.572 1.00 1.30 H new ATOM 0 HD1 HIS A 73 17.315 11.165 -1.442 1.00 23.23 H new ATOM 0 HD2 HIS A 73 13.973 11.939 0.953 1.00 63.24 H new ATOM 0 HE1 HIS A 73 18.124 12.559 0.527 1.00 61.32 H new ATOM 1047 N PRO A 74 12.745 10.473 -4.084 1.00 71.31 N ATOM 1048 CA PRO A 74 12.345 9.727 -5.293 1.00 35.51 C ATOM 1049 C PRO A 74 13.068 8.369 -5.316 1.00 63.15 C ATOM 1050 O PRO A 74 12.642 7.409 -5.957 1.00 32.34 O ATOM 1051 CB PRO A 74 12.829 10.618 -6.445 1.00 51.01 C ATOM 1052 CG PRO A 74 12.972 11.973 -5.843 1.00 60.50 C ATOM 1053 CD PRO A 74 13.423 11.743 -4.434 1.00 40.51 C ATOM 0 HA PRO A 74 11.276 9.521 -5.347 1.00 35.51 H new ATOM 0 HB2 PRO A 74 13.777 10.262 -6.849 1.00 51.01 H new ATOM 0 HB3 PRO A 74 12.114 10.624 -7.268 1.00 51.01 H new ATOM 0 HG2 PRO A 74 13.697 12.572 -6.394 1.00 60.50 H new ATOM 0 HG3 PRO A 74 12.027 12.515 -5.868 1.00 60.50 H new ATOM 0 HD2 PRO A 74 14.507 11.657 -4.364 1.00 40.51 H new ATOM 0 HD3 PRO A 74 13.125 12.558 -3.774 1.00 40.51 H new ATOM 1061 N GLU A 75 14.154 8.332 -4.549 1.00 10.14 N ATOM 1062 CA GLU A 75 15.068 7.204 -4.410 1.00 45.34 C ATOM 1063 C GLU A 75 14.481 6.074 -3.525 1.00 51.00 C ATOM 1064 O GLU A 75 15.191 5.117 -3.180 1.00 63.02 O ATOM 1065 CB GLU A 75 16.367 7.714 -3.777 1.00 21.51 C ATOM 1066 CG GLU A 75 16.962 8.925 -4.485 1.00 74.24 C ATOM 1067 CD GLU A 75 18.204 9.446 -3.810 1.00 42.33 C ATOM 1068 OE1 GLU A 75 18.088 10.201 -2.811 1.00 41.24 O ATOM 1069 OE2 GLU A 75 19.326 9.121 -4.275 1.00 71.33 O ATOM 0 H GLU A 75 14.434 9.130 -3.978 1.00 10.14 H new ATOM 0 HA GLU A 75 15.244 6.783 -5.400 1.00 45.34 H new ATOM 0 HB2 GLU A 75 16.176 7.971 -2.735 1.00 21.51 H new ATOM 0 HB3 GLU A 75 17.101 6.908 -3.777 1.00 21.51 H new ATOM 0 HG2 GLU A 75 17.199 8.658 -5.515 1.00 74.24 H new ATOM 0 HG3 GLU A 75 16.216 9.719 -4.525 1.00 74.24 H new ATOM 1076 N SER A 76 13.218 6.180 -3.149 1.00 11.23 N ATOM 1077 CA SER A 76 12.580 5.134 -2.369 1.00 50.40 C ATOM 1078 C SER A 76 12.043 4.031 -3.287 1.00 23.15 C ATOM 1079 O SER A 76 12.125 4.157 -4.517 1.00 15.51 O ATOM 1080 CB SER A 76 11.495 5.715 -1.442 1.00 34.42 C ATOM 1081 OG SER A 76 10.647 6.642 -2.119 1.00 22.33 O ATOM 0 H SER A 76 12.617 6.974 -3.369 1.00 11.23 H new ATOM 0 HA SER A 76 13.327 4.676 -1.720 1.00 50.40 H new ATOM 0 HB2 SER A 76 10.892 4.902 -1.037 1.00 34.42 H new ATOM 0 HB3 SER A 76 11.970 6.211 -0.596 1.00 34.42 H new ATOM 0 HG SER A 76 11.106 7.503 -2.204 1.00 22.33 H new ATOM 1087 N ASP A 77 11.517 2.956 -2.701 1.00 4.14 N ATOM 1088 CA ASP A 77 11.011 1.818 -3.479 1.00 33.11 C ATOM 1089 C ASP A 77 9.855 2.287 -4.332 1.00 11.14 C ATOM 1090 O ASP A 77 9.873 2.176 -5.556 1.00 70.11 O ATOM 1091 CB ASP A 77 10.556 0.697 -2.545 1.00 51.44 C ATOM 1092 CG ASP A 77 10.187 -0.568 -3.280 1.00 73.23 C ATOM 1093 OD1 ASP A 77 9.040 -0.713 -3.708 1.00 21.15 O ATOM 1094 OD2 ASP A 77 11.051 -1.468 -3.401 1.00 45.42 O ATOM 0 H ASP A 77 11.429 2.846 -1.691 1.00 4.14 H new ATOM 0 HA ASP A 77 11.805 1.429 -4.116 1.00 33.11 H new ATOM 0 HB2 ASP A 77 11.352 0.478 -1.834 1.00 51.44 H new ATOM 0 HB3 ASP A 77 9.697 1.039 -1.967 1.00 51.44 H new ATOM 1099 N ILE A 78 8.876 2.836 -3.669 1.00 54.44 N ATOM 1100 CA ILE A 78 7.769 3.481 -4.313 1.00 74.35 C ATOM 1101 C ILE A 78 7.692 4.872 -3.731 1.00 55.12 C ATOM 1102 O ILE A 78 7.629 5.043 -2.501 1.00 3.40 O ATOM 1103 CB ILE A 78 6.374 2.721 -4.214 1.00 63.31 C ATOM 1104 CG1 ILE A 78 5.838 2.520 -2.764 1.00 34.00 C ATOM 1105 CG2 ILE A 78 6.410 1.396 -4.962 1.00 40.32 C ATOM 1106 CD1 ILE A 78 6.661 1.615 -1.875 1.00 12.11 C ATOM 0 H ILE A 78 8.825 2.847 -2.650 1.00 54.44 H new ATOM 0 HA ILE A 78 7.955 3.488 -5.387 1.00 74.35 H new ATOM 0 HB ILE A 78 5.661 3.390 -4.696 1.00 63.31 H new ATOM 0 HG12 ILE A 78 5.764 3.497 -2.286 1.00 34.00 H new ATOM 0 HG13 ILE A 78 4.827 2.117 -2.824 1.00 34.00 H new ATOM 0 HG21 ILE A 78 5.442 0.902 -4.875 1.00 40.32 H new ATOM 0 HG22 ILE A 78 6.631 1.578 -6.014 1.00 40.32 H new ATOM 0 HG23 ILE A 78 7.183 0.757 -4.534 1.00 40.32 H new ATOM 0 HD11 ILE A 78 6.195 1.549 -0.892 1.00 12.11 H new ATOM 0 HD12 ILE A 78 6.716 0.621 -2.319 1.00 12.11 H new ATOM 0 HD13 ILE A 78 7.667 2.022 -1.773 1.00 12.11 H new ATOM 1118 N PHE A 79 7.747 5.855 -4.564 1.00 25.25 N ATOM 1119 CA PHE A 79 7.858 7.197 -4.076 1.00 44.24 C ATOM 1120 C PHE A 79 6.537 7.926 -4.059 1.00 1.22 C ATOM 1121 O PHE A 79 5.843 8.008 -5.068 1.00 40.42 O ATOM 1122 CB PHE A 79 8.950 8.002 -4.831 1.00 33.30 C ATOM 1123 CG PHE A 79 8.742 8.162 -6.321 1.00 55.22 C ATOM 1124 CD1 PHE A 79 9.086 7.146 -7.199 1.00 2.42 C ATOM 1125 CD2 PHE A 79 8.209 9.334 -6.840 1.00 72.54 C ATOM 1126 CE1 PHE A 79 8.902 7.293 -8.558 1.00 71.45 C ATOM 1127 CE2 PHE A 79 8.024 9.485 -8.200 1.00 64.31 C ATOM 1128 CZ PHE A 79 8.371 8.463 -9.059 1.00 21.13 C ATOM 0 H PHE A 79 7.718 5.762 -5.579 1.00 25.25 H new ATOM 0 HA PHE A 79 8.176 7.115 -3.037 1.00 44.24 H new ATOM 0 HB2 PHE A 79 9.016 8.994 -4.384 1.00 33.30 H new ATOM 0 HB3 PHE A 79 9.911 7.514 -4.668 1.00 33.30 H new ATOM 0 HD1 PHE A 79 9.504 6.227 -6.814 1.00 2.42 H new ATOM 0 HD2 PHE A 79 7.936 10.137 -6.172 1.00 72.54 H new ATOM 0 HE1 PHE A 79 9.174 6.492 -9.230 1.00 71.45 H new ATOM 0 HE2 PHE A 79 7.608 10.402 -8.591 1.00 64.31 H new ATOM 0 HZ PHE A 79 8.227 8.579 -10.123 1.00 21.13 H new ATOM 1138 N LEU A 80 6.157 8.375 -2.884 1.00 23.44 N ATOM 1139 CA LEU A 80 5.021 9.262 -2.750 1.00 35.12 C ATOM 1140 C LEU A 80 5.408 10.587 -3.360 1.00 75.44 C ATOM 1141 O LEU A 80 6.466 11.132 -3.047 1.00 75.21 O ATOM 1142 CB LEU A 80 4.584 9.457 -1.279 1.00 65.14 C ATOM 1143 CG LEU A 80 3.829 8.309 -0.575 1.00 35.54 C ATOM 1144 CD1 LEU A 80 4.676 7.063 -0.421 1.00 72.42 C ATOM 1145 CD2 LEU A 80 3.318 8.771 0.778 1.00 3.31 C ATOM 0 H LEU A 80 6.618 8.141 -2.005 1.00 23.44 H new ATOM 0 HA LEU A 80 4.166 8.821 -3.262 1.00 35.12 H new ATOM 0 HB2 LEU A 80 5.478 9.673 -0.694 1.00 65.14 H new ATOM 0 HB3 LEU A 80 3.952 10.344 -1.236 1.00 65.14 H new ATOM 0 HG LEU A 80 2.985 8.042 -1.211 1.00 35.54 H new ATOM 0 HD11 LEU A 80 4.096 6.288 0.080 1.00 72.42 H new ATOM 0 HD12 LEU A 80 4.983 6.708 -1.405 1.00 72.42 H new ATOM 0 HD13 LEU A 80 5.560 7.295 0.173 1.00 72.42 H new ATOM 0 HD21 LEU A 80 2.787 7.953 1.265 1.00 3.31 H new ATOM 0 HD22 LEU A 80 4.159 9.078 1.399 1.00 3.31 H new ATOM 0 HD23 LEU A 80 2.640 9.614 0.642 1.00 3.31 H new ATOM 1157 N ASP A 81 4.597 11.094 -4.230 1.00 55.11 N ATOM 1158 CA ASP A 81 4.949 12.306 -4.938 1.00 64.43 C ATOM 1159 C ASP A 81 3.977 13.422 -4.580 1.00 13.35 C ATOM 1160 O ASP A 81 3.804 14.405 -5.302 1.00 22.42 O ATOM 1161 CB ASP A 81 4.974 12.016 -6.450 1.00 13.43 C ATOM 1162 CG ASP A 81 5.459 13.179 -7.280 1.00 4.24 C ATOM 1163 OD1 ASP A 81 6.632 13.579 -7.135 1.00 21.34 O ATOM 1164 OD2 ASP A 81 4.666 13.718 -8.087 1.00 31.23 O ATOM 0 H ASP A 81 3.689 10.699 -4.475 1.00 55.11 H new ATOM 0 HA ASP A 81 5.943 12.642 -4.642 1.00 64.43 H new ATOM 0 HB2 ASP A 81 5.616 11.155 -6.636 1.00 13.43 H new ATOM 0 HB3 ASP A 81 3.971 11.741 -6.776 1.00 13.43 H new ATOM 1169 N ASP A 82 3.371 13.301 -3.437 1.00 1.51 N ATOM 1170 CA ASP A 82 2.432 14.320 -3.009 1.00 2.41 C ATOM 1171 C ASP A 82 3.083 15.215 -1.929 1.00 73.50 C ATOM 1172 O ASP A 82 4.305 15.192 -1.758 1.00 52.54 O ATOM 1173 CB ASP A 82 1.115 13.699 -2.522 1.00 24.04 C ATOM 1174 CG ASP A 82 1.149 13.268 -1.090 1.00 44.13 C ATOM 1175 OD1 ASP A 82 1.888 12.349 -0.749 1.00 52.00 O ATOM 1176 OD2 ASP A 82 0.438 13.898 -0.292 1.00 74.02 O ATOM 0 H ASP A 82 3.499 12.525 -2.787 1.00 1.51 H new ATOM 0 HA ASP A 82 2.182 14.947 -3.865 1.00 2.41 H new ATOM 0 HB2 ASP A 82 0.311 14.422 -2.656 1.00 24.04 H new ATOM 0 HB3 ASP A 82 0.876 12.838 -3.146 1.00 24.04 H new ATOM 1181 N VAL A 83 2.280 15.986 -1.219 1.00 65.03 N ATOM 1182 CA VAL A 83 2.769 16.954 -0.253 1.00 62.05 C ATOM 1183 C VAL A 83 2.860 16.346 1.180 1.00 74.43 C ATOM 1184 O VAL A 83 3.400 16.965 2.111 1.00 0.12 O ATOM 1185 CB VAL A 83 1.846 18.215 -0.263 1.00 62.30 C ATOM 1186 CG1 VAL A 83 0.442 17.904 0.248 1.00 52.24 C ATOM 1187 CG2 VAL A 83 2.464 19.386 0.482 1.00 43.30 C ATOM 0 H VAL A 83 1.263 15.958 -1.297 1.00 65.03 H new ATOM 0 HA VAL A 83 3.779 17.244 -0.541 1.00 62.05 H new ATOM 0 HB VAL A 83 1.749 18.516 -1.306 1.00 62.30 H new ATOM 0 HG11 VAL A 83 -0.163 18.810 0.223 1.00 52.24 H new ATOM 0 HG12 VAL A 83 -0.016 17.144 -0.385 1.00 52.24 H new ATOM 0 HG13 VAL A 83 0.501 17.535 1.272 1.00 52.24 H new ATOM 0 HG21 VAL A 83 1.785 20.238 0.447 1.00 43.30 H new ATOM 0 HG22 VAL A 83 2.640 19.105 1.520 1.00 43.30 H new ATOM 0 HG23 VAL A 83 3.410 19.656 0.014 1.00 43.30 H new ATOM 1197 N THR A 84 2.373 15.140 1.350 1.00 31.53 N ATOM 1198 CA THR A 84 2.361 14.492 2.655 1.00 11.43 C ATOM 1199 C THR A 84 3.696 13.734 2.900 1.00 72.33 C ATOM 1200 O THR A 84 3.850 13.011 3.860 1.00 15.33 O ATOM 1201 CB THR A 84 1.143 13.525 2.731 1.00 23.03 C ATOM 1202 OG1 THR A 84 -0.004 14.216 2.214 1.00 32.52 O ATOM 1203 CG2 THR A 84 0.832 13.107 4.160 1.00 4.23 C ATOM 0 H THR A 84 1.975 14.577 0.598 1.00 31.53 H new ATOM 0 HA THR A 84 2.265 15.245 3.437 1.00 11.43 H new ATOM 0 HB THR A 84 1.382 12.630 2.157 1.00 23.03 H new ATOM 0 HG1 THR A 84 -0.131 13.979 1.272 1.00 32.52 H new ATOM 0 HG21 THR A 84 -0.025 12.433 4.164 1.00 4.23 H new ATOM 0 HG22 THR A 84 1.696 12.598 4.586 1.00 4.23 H new ATOM 0 HG23 THR A 84 0.601 13.990 4.755 1.00 4.23 H new ATOM 1211 N VAL A 85 4.681 14.000 2.070 1.00 55.20 N ATOM 1212 CA VAL A 85 5.954 13.315 2.154 1.00 51.34 C ATOM 1213 C VAL A 85 6.842 13.944 3.237 1.00 52.10 C ATOM 1214 O VAL A 85 7.413 15.026 3.068 1.00 55.15 O ATOM 1215 CB VAL A 85 6.665 13.301 0.775 1.00 52.32 C ATOM 1216 CG1 VAL A 85 8.034 12.633 0.850 1.00 73.15 C ATOM 1217 CG2 VAL A 85 5.795 12.583 -0.230 1.00 54.22 C ATOM 0 H VAL A 85 4.624 14.692 1.323 1.00 55.20 H new ATOM 0 HA VAL A 85 5.767 12.280 2.440 1.00 51.34 H new ATOM 0 HB VAL A 85 6.821 14.334 0.463 1.00 52.32 H new ATOM 0 HG11 VAL A 85 8.499 12.644 -0.136 1.00 73.15 H new ATOM 0 HG12 VAL A 85 8.665 13.175 1.554 1.00 73.15 H new ATOM 0 HG13 VAL A 85 7.918 11.602 1.185 1.00 73.15 H new ATOM 0 HG21 VAL A 85 6.293 12.572 -1.200 1.00 54.22 H new ATOM 0 HG22 VAL A 85 5.625 11.559 0.102 1.00 54.22 H new ATOM 0 HG23 VAL A 85 4.839 13.099 -0.318 1.00 54.22 H new ATOM 1227 N SER A 86 6.940 13.247 4.345 1.00 61.43 N ATOM 1228 CA SER A 86 7.669 13.682 5.529 1.00 61.25 C ATOM 1229 C SER A 86 9.174 13.298 5.463 1.00 11.32 C ATOM 1230 O SER A 86 9.747 12.892 6.478 1.00 43.23 O ATOM 1231 CB SER A 86 7.028 12.984 6.736 1.00 32.33 C ATOM 1232 OG SER A 86 5.615 13.192 6.768 1.00 23.05 O ATOM 0 H SER A 86 6.503 12.332 4.458 1.00 61.43 H new ATOM 0 HA SER A 86 7.615 14.768 5.603 1.00 61.25 H new ATOM 0 HB2 SER A 86 7.239 11.915 6.695 1.00 32.33 H new ATOM 0 HB3 SER A 86 7.474 13.362 7.656 1.00 32.33 H new ATOM 0 HG SER A 86 5.161 12.419 6.372 1.00 23.05 H new ATOM 1238 N ARG A 87 9.820 13.474 4.289 1.00 25.04 N ATOM 1239 CA ARG A 87 11.255 13.068 4.031 1.00 54.42 C ATOM 1240 C ARG A 87 11.367 11.548 3.923 1.00 43.11 C ATOM 1241 O ARG A 87 11.989 11.023 3.015 1.00 14.30 O ATOM 1242 CB ARG A 87 12.267 13.618 5.081 1.00 54.41 C ATOM 1243 CG ARG A 87 12.338 15.138 5.166 1.00 14.13 C ATOM 1244 CD ARG A 87 13.419 15.612 6.143 1.00 51.42 C ATOM 1245 NE ARG A 87 13.188 15.153 7.529 1.00 50.30 N ATOM 1246 CZ ARG A 87 13.968 15.454 8.587 1.00 23.41 C ATOM 1247 NH1 ARG A 87 15.020 16.250 8.445 1.00 33.33 N ATOM 1248 NH2 ARG A 87 13.678 14.953 9.771 1.00 22.10 N ATOM 0 H ARG A 87 9.374 13.902 3.478 1.00 25.04 H new ATOM 0 HA ARG A 87 11.532 13.527 3.082 1.00 54.42 H new ATOM 0 HB2 ARG A 87 12.000 13.225 6.062 1.00 54.41 H new ATOM 0 HB3 ARG A 87 13.259 13.235 4.844 1.00 54.41 H new ATOM 0 HG2 ARG A 87 12.541 15.547 4.176 1.00 14.13 H new ATOM 0 HG3 ARG A 87 11.370 15.528 5.480 1.00 14.13 H new ATOM 0 HD2 ARG A 87 14.390 15.251 5.804 1.00 51.42 H new ATOM 0 HD3 ARG A 87 13.461 16.701 6.129 1.00 51.42 H new ATOM 0 HE ARG A 87 12.374 14.562 7.699 1.00 50.30 H new ATOM 0 HH11 ARG A 87 15.245 16.640 7.530 1.00 33.33 H new ATOM 0 HH12 ARG A 87 15.604 16.472 9.251 1.00 33.33 H new ATOM 0 HH21 ARG A 87 12.869 14.342 9.882 1.00 22.10 H new ATOM 0 HH22 ARG A 87 14.263 15.176 10.576 1.00 22.10 H new ATOM 1262 N ARG A 88 10.772 10.885 4.878 1.00 14.03 N ATOM 1263 CA ARG A 88 10.586 9.469 4.927 1.00 53.43 C ATOM 1264 C ARG A 88 9.203 9.328 5.465 1.00 31.20 C ATOM 1265 O ARG A 88 8.927 9.859 6.540 1.00 60.41 O ATOM 1266 CB ARG A 88 11.570 8.807 5.890 1.00 10.23 C ATOM 1267 CG ARG A 88 11.458 7.292 5.905 1.00 61.22 C ATOM 1268 CD ARG A 88 12.439 6.675 6.869 1.00 75.15 C ATOM 1269 NE ARG A 88 12.446 5.214 6.775 1.00 52.25 N ATOM 1270 CZ ARG A 88 13.362 4.421 7.336 1.00 14.34 C ATOM 1271 NH1 ARG A 88 14.269 4.939 8.158 1.00 4.04 N ATOM 1272 NH2 ARG A 88 13.337 3.106 7.110 1.00 32.42 N ATOM 0 H ARG A 88 10.380 11.356 5.694 1.00 14.03 H new ATOM 0 HA ARG A 88 10.742 8.999 3.956 1.00 53.43 H new ATOM 0 HB2 ARG A 88 12.586 9.088 5.613 1.00 10.23 H new ATOM 0 HB3 ARG A 88 11.397 9.189 6.896 1.00 10.23 H new ATOM 0 HG2 ARG A 88 10.444 7.004 6.182 1.00 61.22 H new ATOM 0 HG3 ARG A 88 11.637 6.903 4.903 1.00 61.22 H new ATOM 0 HD2 ARG A 88 13.439 7.057 6.665 1.00 75.15 H new ATOM 0 HD3 ARG A 88 12.185 6.973 7.886 1.00 75.15 H new ATOM 0 HE ARG A 88 11.698 4.770 6.243 1.00 52.25 H new ATOM 0 HH11 ARG A 88 14.264 5.939 8.358 1.00 4.04 H new ATOM 0 HH12 ARG A 88 14.970 4.336 8.589 1.00 4.04 H new ATOM 0 HH21 ARG A 88 12.618 2.706 6.508 1.00 32.42 H new ATOM 0 HH22 ARG A 88 14.037 2.501 7.539 1.00 32.42 H new ATOM 1286 N HIS A 89 8.318 8.712 4.743 1.00 44.14 N ATOM 1287 CA HIS A 89 6.967 8.700 5.215 1.00 14.12 C ATOM 1288 C HIS A 89 6.489 7.318 5.690 1.00 11.11 C ATOM 1289 O HIS A 89 6.376 7.082 6.886 1.00 33.13 O ATOM 1290 CB HIS A 89 6.025 9.337 4.186 1.00 41.43 C ATOM 1291 CG HIS A 89 4.682 9.635 4.749 1.00 11.32 C ATOM 1292 ND1 HIS A 89 4.485 10.716 5.575 1.00 22.44 N ATOM 1293 CD2 HIS A 89 3.542 8.935 4.647 1.00 34.55 C ATOM 1294 CE1 HIS A 89 3.224 10.627 5.958 1.00 14.23 C ATOM 1295 NE2 HIS A 89 2.617 9.564 5.427 1.00 41.14 N ATOM 0 H HIS A 89 8.493 8.230 3.861 1.00 44.14 H new ATOM 0 HA HIS A 89 6.942 9.317 6.113 1.00 14.12 H new ATOM 0 HB2 HIS A 89 6.471 10.259 3.812 1.00 41.43 H new ATOM 0 HB3 HIS A 89 5.917 8.666 3.333 1.00 41.43 H new ATOM 0 HD2 HIS A 89 3.386 8.043 4.059 1.00 34.55 H new ATOM 0 HE1 HIS A 89 2.742 11.330 6.621 1.00 14.23 H new ATOM 0 HE2 HIS A 89 1.649 9.278 5.576 1.00 41.14 H new ATOM 1303 N ALA A 90 6.276 6.401 4.788 1.00 65.22 N ATOM 1304 CA ALA A 90 5.688 5.135 5.169 1.00 74.11 C ATOM 1305 C ALA A 90 6.618 3.979 4.900 1.00 43.42 C ATOM 1306 O ALA A 90 7.342 3.970 3.917 1.00 64.41 O ATOM 1307 CB ALA A 90 4.360 4.928 4.456 1.00 72.02 C ATOM 0 H ALA A 90 6.495 6.498 3.796 1.00 65.22 H new ATOM 0 HA ALA A 90 5.511 5.168 6.244 1.00 74.11 H new ATOM 0 HB1 ALA A 90 3.932 3.971 4.754 1.00 72.02 H new ATOM 0 HB2 ALA A 90 3.674 5.732 4.724 1.00 72.02 H new ATOM 0 HB3 ALA A 90 4.521 4.933 3.378 1.00 72.02 H new ATOM 1313 N GLU A 91 6.596 3.016 5.774 1.00 32.31 N ATOM 1314 CA GLU A 91 7.382 1.830 5.619 1.00 23.15 C ATOM 1315 C GLU A 91 6.438 0.635 5.610 1.00 70.11 C ATOM 1316 O GLU A 91 5.607 0.470 6.520 1.00 70.33 O ATOM 1317 CB GLU A 91 8.348 1.665 6.800 1.00 72.12 C ATOM 1318 CG GLU A 91 9.300 2.824 7.054 1.00 13.15 C ATOM 1319 CD GLU A 91 10.342 3.004 5.979 1.00 63.03 C ATOM 1320 OE1 GLU A 91 11.214 2.128 5.839 1.00 63.00 O ATOM 1321 OE2 GLU A 91 10.390 4.074 5.344 1.00 24.32 O ATOM 0 H GLU A 91 6.027 3.033 6.621 1.00 32.31 H new ATOM 0 HA GLU A 91 7.954 1.897 4.694 1.00 23.15 H new ATOM 0 HB2 GLU A 91 7.760 1.500 7.703 1.00 72.12 H new ATOM 0 HB3 GLU A 91 8.940 0.765 6.636 1.00 72.12 H new ATOM 0 HG2 GLU A 91 8.722 3.744 7.144 1.00 13.15 H new ATOM 0 HG3 GLU A 91 9.801 2.668 8.009 1.00 13.15 H new ATOM 1328 N PHE A 92 6.558 -0.178 4.615 1.00 44.54 N ATOM 1329 CA PHE A 92 5.805 -1.398 4.521 1.00 0.01 C ATOM 1330 C PHE A 92 6.749 -2.515 4.875 1.00 51.04 C ATOM 1331 O PHE A 92 7.744 -2.748 4.163 1.00 41.34 O ATOM 1332 CB PHE A 92 5.237 -1.606 3.102 1.00 71.43 C ATOM 1333 CG PHE A 92 4.219 -0.584 2.664 1.00 63.11 C ATOM 1334 CD1 PHE A 92 4.615 0.622 2.102 1.00 35.33 C ATOM 1335 CD2 PHE A 92 2.863 -0.836 2.808 1.00 12.55 C ATOM 1336 CE1 PHE A 92 3.680 1.552 1.696 1.00 52.22 C ATOM 1337 CE2 PHE A 92 1.924 0.091 2.400 1.00 61.01 C ATOM 1338 CZ PHE A 92 2.334 1.286 1.844 1.00 23.23 C ATOM 0 H PHE A 92 7.189 -0.018 3.830 1.00 44.54 H new ATOM 0 HA PHE A 92 4.950 -1.367 5.197 1.00 0.01 H new ATOM 0 HB2 PHE A 92 6.064 -1.600 2.392 1.00 71.43 H new ATOM 0 HB3 PHE A 92 4.781 -2.595 3.051 1.00 71.43 H new ATOM 0 HD1 PHE A 92 5.667 0.835 1.981 1.00 35.33 H new ATOM 0 HD2 PHE A 92 2.537 -1.769 3.245 1.00 12.55 H new ATOM 0 HE1 PHE A 92 4.001 2.488 1.263 1.00 52.22 H new ATOM 0 HE2 PHE A 92 0.871 -0.119 2.516 1.00 61.01 H new ATOM 0 HZ PHE A 92 1.602 2.013 1.525 1.00 23.23 H new ATOM 1348 N ARG A 93 6.499 -3.167 5.977 1.00 23.15 N ATOM 1349 CA ARG A 93 7.403 -4.175 6.450 1.00 45.25 C ATOM 1350 C ARG A 93 6.710 -5.508 6.555 1.00 73.33 C ATOM 1351 O ARG A 93 5.514 -5.587 6.878 1.00 61.45 O ATOM 1352 CB ARG A 93 7.990 -3.789 7.820 1.00 11.40 C ATOM 1353 CG ARG A 93 8.652 -2.421 7.861 1.00 1.21 C ATOM 1354 CD ARG A 93 9.299 -2.151 9.213 1.00 22.21 C ATOM 1355 NE ARG A 93 9.829 -0.780 9.305 1.00 73.52 N ATOM 1356 CZ ARG A 93 11.098 -0.411 9.045 1.00 12.41 C ATOM 1357 NH1 ARG A 93 12.005 -1.310 8.658 1.00 33.13 N ATOM 1358 NH2 ARG A 93 11.460 0.862 9.183 1.00 20.32 N ATOM 0 H ARG A 93 5.677 -3.018 6.563 1.00 23.15 H new ATOM 0 HA ARG A 93 8.216 -4.253 5.728 1.00 45.25 H new ATOM 0 HB2 ARG A 93 7.193 -3.815 8.563 1.00 11.40 H new ATOM 0 HB3 ARG A 93 8.722 -4.542 8.112 1.00 11.40 H new ATOM 0 HG2 ARG A 93 9.407 -2.358 7.077 1.00 1.21 H new ATOM 0 HG3 ARG A 93 7.910 -1.651 7.652 1.00 1.21 H new ATOM 0 HD2 ARG A 93 8.566 -2.311 10.004 1.00 22.21 H new ATOM 0 HD3 ARG A 93 10.107 -2.864 9.378 1.00 22.21 H new ATOM 0 HE ARG A 93 9.179 -0.047 9.590 1.00 73.52 H new ATOM 0 HH11 ARG A 93 11.741 -2.290 8.556 1.00 33.13 H new ATOM 0 HH12 ARG A 93 12.963 -1.017 8.464 1.00 33.13 H new ATOM 0 HH21 ARG A 93 10.777 1.557 9.485 1.00 20.32 H new ATOM 0 HH22 ARG A 93 12.421 1.143 8.987 1.00 20.32 H new ATOM 1372 N ILE A 94 7.445 -6.537 6.297 1.00 70.34 N ATOM 1373 CA ILE A 94 6.945 -7.869 6.450 1.00 63.11 C ATOM 1374 C ILE A 94 7.737 -8.564 7.538 1.00 62.23 C ATOM 1375 O ILE A 94 8.955 -8.467 7.600 1.00 51.31 O ATOM 1376 CB ILE A 94 6.973 -8.704 5.119 1.00 43.23 C ATOM 1377 CG1 ILE A 94 6.520 -10.162 5.371 1.00 4.12 C ATOM 1378 CG2 ILE A 94 8.339 -8.662 4.463 1.00 52.31 C ATOM 1379 CD1 ILE A 94 6.582 -11.066 4.154 1.00 30.51 C ATOM 0 H ILE A 94 8.411 -6.482 5.974 1.00 70.34 H new ATOM 0 HA ILE A 94 5.893 -7.799 6.728 1.00 63.11 H new ATOM 0 HB ILE A 94 6.266 -8.245 4.428 1.00 43.23 H new ATOM 0 HG12 ILE A 94 7.142 -10.590 6.157 1.00 4.12 H new ATOM 0 HG13 ILE A 94 5.497 -10.150 5.746 1.00 4.12 H new ATOM 0 HG21 ILE A 94 8.320 -9.250 3.546 1.00 52.31 H new ATOM 0 HG22 ILE A 94 8.598 -7.630 4.227 1.00 52.31 H new ATOM 0 HG23 ILE A 94 9.083 -9.076 5.144 1.00 52.31 H new ATOM 0 HD11 ILE A 94 6.246 -12.067 4.427 1.00 30.51 H new ATOM 0 HD12 ILE A 94 5.937 -10.667 3.371 1.00 30.51 H new ATOM 0 HD13 ILE A 94 7.608 -11.114 3.789 1.00 30.51 H new ATOM 1391 N ASN A 95 7.027 -9.157 8.426 1.00 0.34 N ATOM 1392 CA ASN A 95 7.558 -9.898 9.519 1.00 14.34 C ATOM 1393 C ASN A 95 7.060 -11.316 9.348 1.00 42.31 C ATOM 1394 O ASN A 95 5.969 -11.510 8.820 1.00 43.13 O ATOM 1395 CB ASN A 95 7.083 -9.247 10.837 1.00 61.41 C ATOM 1396 CG ASN A 95 7.323 -10.065 12.082 1.00 15.03 C ATOM 1397 OD1 ASN A 95 6.462 -10.829 12.493 1.00 11.12 O ATOM 1398 ND2 ASN A 95 8.468 -9.925 12.684 1.00 21.52 N ATOM 0 H ASN A 95 6.007 -9.140 8.413 1.00 0.34 H new ATOM 0 HA ASN A 95 8.648 -9.903 9.549 1.00 14.34 H new ATOM 0 HB2 ASN A 95 7.586 -8.286 10.951 1.00 61.41 H new ATOM 0 HB3 ASN A 95 6.016 -9.041 10.757 1.00 61.41 H new ATOM 0 HD21 ASN A 95 8.670 -10.462 13.527 1.00 21.52 H new ATOM 0 HD22 ASN A 95 9.164 -9.278 12.313 1.00 21.52 H new ATOM 1405 N GLU A 96 7.844 -12.307 9.732 1.00 51.22 N ATOM 1406 CA GLU A 96 7.446 -13.702 9.522 1.00 22.33 C ATOM 1407 C GLU A 96 6.176 -14.092 10.317 1.00 2.04 C ATOM 1408 O GLU A 96 5.607 -15.173 10.116 1.00 14.04 O ATOM 1409 CB GLU A 96 8.606 -14.721 9.745 1.00 64.23 C ATOM 1410 CG GLU A 96 9.262 -14.733 11.130 1.00 72.21 C ATOM 1411 CD GLU A 96 10.169 -13.550 11.397 1.00 60.54 C ATOM 1412 OE1 GLU A 96 9.682 -12.491 11.841 1.00 13.20 O ATOM 1413 OE2 GLU A 96 11.379 -13.658 11.178 1.00 41.45 O ATOM 0 H GLU A 96 8.749 -12.183 10.185 1.00 51.22 H new ATOM 0 HA GLU A 96 7.188 -13.764 8.465 1.00 22.33 H new ATOM 0 HB2 GLU A 96 8.223 -15.721 9.543 1.00 64.23 H new ATOM 0 HB3 GLU A 96 9.380 -14.521 9.005 1.00 64.23 H new ATOM 0 HG2 GLU A 96 8.481 -14.756 11.890 1.00 72.21 H new ATOM 0 HG3 GLU A 96 9.839 -15.651 11.238 1.00 72.21 H new ATOM 1420 N GLY A 97 5.754 -13.220 11.216 1.00 62.21 N ATOM 1421 CA GLY A 97 4.538 -13.425 11.951 1.00 51.20 C ATOM 1422 C GLY A 97 3.396 -12.560 11.446 1.00 74.44 C ATOM 1423 O GLY A 97 2.267 -13.040 11.321 1.00 45.45 O ATOM 0 H GLY A 97 6.247 -12.358 11.449 1.00 62.21 H new ATOM 0 HA2 GLY A 97 4.251 -14.474 11.885 1.00 51.20 H new ATOM 0 HA3 GLY A 97 4.714 -13.209 13.005 1.00 51.20 H new ATOM 1427 N GLU A 98 3.683 -11.292 11.136 1.00 41.42 N ATOM 1428 CA GLU A 98 2.656 -10.336 10.710 1.00 31.41 C ATOM 1429 C GLU A 98 3.162 -9.421 9.610 1.00 62.23 C ATOM 1430 O GLU A 98 4.352 -9.282 9.402 1.00 45.44 O ATOM 1431 CB GLU A 98 2.229 -9.437 11.877 1.00 1.22 C ATOM 1432 CG GLU A 98 1.496 -10.119 13.011 1.00 15.23 C ATOM 1433 CD GLU A 98 0.167 -10.724 12.608 1.00 24.52 C ATOM 1434 OE1 GLU A 98 -0.323 -10.491 11.478 1.00 73.13 O ATOM 1435 OE2 GLU A 98 -0.415 -11.461 13.431 1.00 24.44 O ATOM 0 H GLU A 98 4.625 -10.902 11.173 1.00 41.42 H new ATOM 0 HA GLU A 98 1.818 -10.932 10.348 1.00 31.41 H new ATOM 0 HB2 GLU A 98 3.119 -8.957 12.284 1.00 1.22 H new ATOM 0 HB3 GLU A 98 1.592 -8.645 11.484 1.00 1.22 H new ATOM 0 HG2 GLU A 98 2.132 -10.904 13.421 1.00 15.23 H new ATOM 0 HG3 GLU A 98 1.328 -9.396 13.809 1.00 15.23 H new ATOM 1442 N PHE A 99 2.249 -8.789 8.938 1.00 4.22 N ATOM 1443 CA PHE A 99 2.570 -7.772 7.955 1.00 43.45 C ATOM 1444 C PHE A 99 2.171 -6.443 8.559 1.00 52.22 C ATOM 1445 O PHE A 99 0.997 -6.257 8.920 1.00 74.11 O ATOM 1446 CB PHE A 99 1.803 -7.989 6.637 1.00 50.14 C ATOM 1447 CG PHE A 99 2.208 -9.199 5.819 1.00 42.44 C ATOM 1448 CD1 PHE A 99 1.986 -10.490 6.279 1.00 42.44 C ATOM 1449 CD2 PHE A 99 2.780 -9.033 4.567 1.00 61.34 C ATOM 1450 CE1 PHE A 99 2.328 -11.585 5.513 1.00 25.22 C ATOM 1451 CE2 PHE A 99 3.128 -10.125 3.798 1.00 4.11 C ATOM 1452 CZ PHE A 99 2.900 -11.404 4.272 1.00 4.02 C ATOM 0 H PHE A 99 1.249 -8.958 9.049 1.00 4.22 H new ATOM 0 HA PHE A 99 3.633 -7.811 7.716 1.00 43.45 H new ATOM 0 HB2 PHE A 99 0.741 -8.071 6.868 1.00 50.14 H new ATOM 0 HB3 PHE A 99 1.926 -7.100 6.018 1.00 50.14 H new ATOM 0 HD1 PHE A 99 1.539 -10.639 7.251 1.00 42.44 H new ATOM 0 HD2 PHE A 99 2.955 -8.037 4.189 1.00 61.34 H new ATOM 0 HE1 PHE A 99 2.148 -12.583 5.885 1.00 25.22 H new ATOM 0 HE2 PHE A 99 3.578 -9.981 2.827 1.00 4.11 H new ATOM 0 HZ PHE A 99 3.170 -12.260 3.671 1.00 4.02 H new ATOM 1462 N GLU A 100 3.104 -5.535 8.697 1.00 5.11 N ATOM 1463 CA GLU A 100 2.809 -4.272 9.332 1.00 73.12 C ATOM 1464 C GLU A 100 3.168 -3.095 8.491 1.00 24.40 C ATOM 1465 O GLU A 100 4.240 -3.032 7.868 1.00 35.35 O ATOM 1466 CB GLU A 100 3.424 -4.130 10.720 1.00 34.20 C ATOM 1467 CG GLU A 100 2.804 -5.031 11.754 1.00 44.11 C ATOM 1468 CD GLU A 100 3.298 -4.746 13.149 1.00 22.45 C ATOM 1469 OE1 GLU A 100 4.528 -4.682 13.363 1.00 13.03 O ATOM 1470 OE2 GLU A 100 2.462 -4.607 14.074 1.00 3.34 O ATOM 0 H GLU A 100 4.068 -5.643 8.381 1.00 5.11 H new ATOM 0 HA GLU A 100 1.726 -4.282 9.452 1.00 73.12 H new ATOM 0 HB2 GLU A 100 4.491 -4.344 10.658 1.00 34.20 H new ATOM 0 HB3 GLU A 100 3.325 -3.095 11.047 1.00 34.20 H new ATOM 0 HG2 GLU A 100 1.720 -4.916 11.727 1.00 44.11 H new ATOM 0 HG3 GLU A 100 3.021 -6.069 11.502 1.00 44.11 H new ATOM 1477 N VAL A 101 2.273 -2.177 8.465 1.00 71.32 N ATOM 1478 CA VAL A 101 2.481 -0.941 7.777 1.00 71.54 C ATOM 1479 C VAL A 101 2.665 0.157 8.814 1.00 41.45 C ATOM 1480 O VAL A 101 1.800 0.386 9.669 1.00 31.04 O ATOM 1481 CB VAL A 101 1.331 -0.607 6.759 1.00 42.22 C ATOM 1482 CG1 VAL A 101 -0.048 -0.611 7.415 1.00 53.01 C ATOM 1483 CG2 VAL A 101 1.591 0.727 6.061 1.00 12.15 C ATOM 0 H VAL A 101 1.365 -2.256 8.922 1.00 71.32 H new ATOM 0 HA VAL A 101 3.379 -1.024 7.165 1.00 71.54 H new ATOM 0 HB VAL A 101 1.332 -1.400 6.011 1.00 42.22 H new ATOM 0 HG11 VAL A 101 -0.807 -0.375 6.669 1.00 53.01 H new ATOM 0 HG12 VAL A 101 -0.248 -1.596 7.836 1.00 53.01 H new ATOM 0 HG13 VAL A 101 -0.075 0.135 8.209 1.00 53.01 H new ATOM 0 HG21 VAL A 101 0.781 0.936 5.362 1.00 12.15 H new ATOM 0 HG22 VAL A 101 1.643 1.523 6.804 1.00 12.15 H new ATOM 0 HG23 VAL A 101 2.535 0.676 5.518 1.00 12.15 H new ATOM 1493 N VAL A 102 3.796 0.788 8.791 1.00 54.21 N ATOM 1494 CA VAL A 102 4.082 1.804 9.755 1.00 3.13 C ATOM 1495 C VAL A 102 4.309 3.122 9.058 1.00 3.44 C ATOM 1496 O VAL A 102 5.015 3.186 8.045 1.00 45.14 O ATOM 1497 CB VAL A 102 5.303 1.432 10.674 1.00 53.23 C ATOM 1498 CG1 VAL A 102 5.042 0.136 11.416 1.00 54.45 C ATOM 1499 CG2 VAL A 102 6.604 1.316 9.894 1.00 62.31 C ATOM 0 H VAL A 102 4.539 0.617 8.113 1.00 54.21 H new ATOM 0 HA VAL A 102 3.217 1.891 10.412 1.00 3.13 H new ATOM 0 HB VAL A 102 5.413 2.248 11.388 1.00 53.23 H new ATOM 0 HG11 VAL A 102 5.899 -0.102 12.045 1.00 54.45 H new ATOM 0 HG12 VAL A 102 4.154 0.246 12.039 1.00 54.45 H new ATOM 0 HG13 VAL A 102 4.884 -0.669 10.698 1.00 54.45 H new ATOM 0 HG21 VAL A 102 7.415 1.058 10.575 1.00 62.31 H new ATOM 0 HG22 VAL A 102 6.506 0.539 9.136 1.00 62.31 H new ATOM 0 HG23 VAL A 102 6.825 2.268 9.411 1.00 62.31 H new ATOM 1509 N ASP A 103 3.677 4.149 9.530 1.00 30.41 N ATOM 1510 CA ASP A 103 3.899 5.443 8.974 1.00 43.12 C ATOM 1511 C ASP A 103 4.753 6.208 9.960 1.00 24.31 C ATOM 1512 O ASP A 103 4.333 6.460 11.108 1.00 74.12 O ATOM 1513 CB ASP A 103 2.573 6.143 8.732 1.00 55.44 C ATOM 1514 CG ASP A 103 2.695 7.440 7.955 1.00 10.32 C ATOM 1515 OD1 ASP A 103 3.639 8.189 8.173 1.00 22.15 O ATOM 1516 OD2 ASP A 103 1.772 7.745 7.157 1.00 34.33 O ATOM 0 H ASP A 103 3.005 4.116 10.297 1.00 30.41 H new ATOM 0 HA ASP A 103 4.405 5.378 8.011 1.00 43.12 H new ATOM 0 HB2 ASP A 103 1.910 5.468 8.191 1.00 55.44 H new ATOM 0 HB3 ASP A 103 2.102 6.350 9.693 1.00 55.44 H new ATOM 1521 N VAL A 104 5.946 6.565 9.547 1.00 55.32 N ATOM 1522 CA VAL A 104 6.890 7.206 10.439 1.00 14.43 C ATOM 1523 C VAL A 104 6.734 8.720 10.403 1.00 11.43 C ATOM 1524 O VAL A 104 7.448 9.451 11.106 1.00 71.01 O ATOM 1525 CB VAL A 104 8.369 6.782 10.169 1.00 4.13 C ATOM 1526 CG1 VAL A 104 8.533 5.275 10.306 1.00 3.32 C ATOM 1527 CG2 VAL A 104 8.863 7.255 8.809 1.00 21.24 C ATOM 0 H VAL A 104 6.289 6.423 8.597 1.00 55.32 H new ATOM 0 HA VAL A 104 6.652 6.859 11.444 1.00 14.43 H new ATOM 0 HB VAL A 104 8.985 7.270 10.924 1.00 4.13 H new ATOM 0 HG11 VAL A 104 9.571 5.003 10.114 1.00 3.32 H new ATOM 0 HG12 VAL A 104 8.259 4.969 11.316 1.00 3.32 H new ATOM 0 HG13 VAL A 104 7.887 4.772 9.587 1.00 3.32 H new ATOM 0 HG21 VAL A 104 9.896 6.937 8.666 1.00 21.24 H new ATOM 0 HG22 VAL A 104 8.239 6.825 8.026 1.00 21.24 H new ATOM 0 HG23 VAL A 104 8.808 8.343 8.760 1.00 21.24 H new ATOM 1537 N GLY A 105 5.783 9.171 9.606 1.00 53.54 N ATOM 1538 CA GLY A 105 5.442 10.556 9.515 1.00 54.34 C ATOM 1539 C GLY A 105 3.960 10.705 9.752 1.00 12.03 C ATOM 1540 O GLY A 105 3.290 11.579 9.176 1.00 44.12 O ATOM 0 H GLY A 105 5.226 8.568 9.001 1.00 53.54 H new ATOM 0 HA2 GLY A 105 6.002 11.132 10.251 1.00 54.34 H new ATOM 0 HA3 GLY A 105 5.709 10.947 8.533 1.00 54.34 H new ATOM 1544 N SER A 106 3.450 9.871 10.653 1.00 40.33 N ATOM 1545 CA SER A 106 2.033 9.783 10.970 1.00 12.10 C ATOM 1546 C SER A 106 1.483 11.016 11.691 1.00 62.12 C ATOM 1547 O SER A 106 0.317 11.056 12.086 1.00 13.14 O ATOM 1548 CB SER A 106 1.755 8.485 11.736 1.00 21.34 C ATOM 1549 OG SER A 106 2.852 8.150 12.586 1.00 2.01 O ATOM 0 H SER A 106 4.025 9.225 11.193 1.00 40.33 H new ATOM 0 HA SER A 106 1.489 9.759 10.026 1.00 12.10 H new ATOM 0 HB2 SER A 106 0.849 8.597 12.332 1.00 21.34 H new ATOM 0 HB3 SER A 106 1.575 7.673 11.031 1.00 21.34 H new ATOM 0 HG SER A 106 3.490 7.593 12.093 1.00 2.01 H new ATOM 1555 N LEU A 107 2.306 12.042 11.795 1.00 53.42 N ATOM 1556 CA LEU A 107 1.926 13.306 12.380 1.00 20.13 C ATOM 1557 C LEU A 107 0.955 14.018 11.434 1.00 51.04 C ATOM 1558 O LEU A 107 0.165 14.848 11.846 1.00 52.22 O ATOM 1559 CB LEU A 107 3.170 14.165 12.619 1.00 25.23 C ATOM 1560 CG LEU A 107 4.269 13.530 13.485 1.00 52.13 C ATOM 1561 CD1 LEU A 107 5.460 14.458 13.598 1.00 34.34 C ATOM 1562 CD2 LEU A 107 3.740 13.177 14.869 1.00 61.15 C ATOM 0 H LEU A 107 3.272 12.016 11.469 1.00 53.42 H new ATOM 0 HA LEU A 107 1.437 13.139 13.340 1.00 20.13 H new ATOM 0 HB2 LEU A 107 3.601 14.423 11.652 1.00 25.23 H new ATOM 0 HB3 LEU A 107 2.859 15.098 13.088 1.00 25.23 H new ATOM 0 HG LEU A 107 4.589 12.609 12.998 1.00 52.13 H new ATOM 0 HD11 LEU A 107 6.228 13.991 14.215 1.00 34.34 H new ATOM 0 HD12 LEU A 107 5.863 14.655 12.605 1.00 34.34 H new ATOM 0 HD13 LEU A 107 5.148 15.397 14.056 1.00 34.34 H new ATOM 0 HD21 LEU A 107 4.539 12.729 15.461 1.00 61.15 H new ATOM 0 HD22 LEU A 107 3.385 14.081 15.364 1.00 61.15 H new ATOM 0 HD23 LEU A 107 2.918 12.468 14.774 1.00 61.15 H new ATOM 1574 N ASN A 108 0.996 13.626 10.160 1.00 53.31 N ATOM 1575 CA ASN A 108 0.084 14.177 9.150 1.00 35.25 C ATOM 1576 C ASN A 108 -1.300 13.544 9.293 1.00 24.04 C ATOM 1577 O ASN A 108 -2.246 13.947 8.629 1.00 64.53 O ATOM 1578 CB ASN A 108 0.586 13.931 7.709 1.00 65.12 C ATOM 1579 CG ASN A 108 1.945 14.541 7.382 1.00 44.31 C ATOM 1580 OD1 ASN A 108 2.057 15.702 6.974 1.00 63.52 O ATOM 1581 ND2 ASN A 108 2.982 13.767 7.527 1.00 13.43 N ATOM 0 H ASN A 108 1.649 12.930 9.801 1.00 53.31 H new ATOM 0 HA ASN A 108 0.038 15.253 9.321 1.00 35.25 H new ATOM 0 HB2 ASN A 108 0.638 12.856 7.538 1.00 65.12 H new ATOM 0 HB3 ASN A 108 -0.151 14.330 7.012 1.00 65.12 H new ATOM 0 HD21 ASN A 108 3.914 14.115 7.302 1.00 13.43 H new ATOM 0 HD22 ASN A 108 2.862 12.812 7.866 1.00 13.43 H new ATOM 1588 N GLY A 109 -1.398 12.540 10.155 1.00 3.22 N ATOM 1589 CA GLY A 109 -2.650 11.867 10.380 1.00 25.03 C ATOM 1590 C GLY A 109 -2.845 10.719 9.430 1.00 4.00 C ATOM 1591 O GLY A 109 -3.539 10.846 8.434 1.00 72.34 O ATOM 0 H GLY A 109 -0.618 12.181 10.706 1.00 3.22 H new ATOM 0 HA2 GLY A 109 -2.686 11.500 11.406 1.00 25.03 H new ATOM 0 HA3 GLY A 109 -3.470 12.576 10.266 1.00 25.03 H new ATOM 1595 N THR A 110 -2.203 9.623 9.698 1.00 10.32 N ATOM 1596 CA THR A 110 -2.339 8.444 8.881 1.00 1.24 C ATOM 1597 C THR A 110 -3.601 7.704 9.287 1.00 2.54 C ATOM 1598 O THR A 110 -3.783 7.380 10.461 1.00 13.15 O ATOM 1599 CB THR A 110 -1.112 7.559 9.074 1.00 24.21 C ATOM 1600 OG1 THR A 110 0.024 8.414 8.968 1.00 21.12 O ATOM 1601 CG2 THR A 110 -1.058 6.487 7.986 1.00 63.21 C ATOM 0 H THR A 110 -1.568 9.515 10.489 1.00 10.32 H new ATOM 0 HA THR A 110 -2.413 8.717 7.828 1.00 1.24 H new ATOM 0 HB THR A 110 -1.141 7.053 10.039 1.00 24.21 H new ATOM 0 HG1 THR A 110 0.419 8.324 8.076 1.00 21.12 H new ATOM 0 HG21 THR A 110 -0.178 5.862 8.135 1.00 63.21 H new ATOM 0 HG22 THR A 110 -1.955 5.870 8.039 1.00 63.21 H new ATOM 0 HG23 THR A 110 -1.003 6.964 7.008 1.00 63.21 H new ATOM 1609 N TYR A 111 -4.486 7.464 8.351 1.00 21.20 N ATOM 1610 CA TYR A 111 -5.731 6.845 8.685 1.00 53.42 C ATOM 1611 C TYR A 111 -5.848 5.499 8.040 1.00 61.34 C ATOM 1612 O TYR A 111 -5.535 5.336 6.873 1.00 55.34 O ATOM 1613 CB TYR A 111 -6.914 7.708 8.216 1.00 25.32 C ATOM 1614 CG TYR A 111 -6.920 9.125 8.741 1.00 32.05 C ATOM 1615 CD1 TYR A 111 -7.205 9.388 10.065 1.00 2.12 C ATOM 1616 CD2 TYR A 111 -6.632 10.199 7.907 1.00 2.03 C ATOM 1617 CE1 TYR A 111 -7.205 10.674 10.553 1.00 63.23 C ATOM 1618 CE2 TYR A 111 -6.626 11.495 8.390 1.00 63.22 C ATOM 1619 CZ TYR A 111 -6.912 11.725 9.713 1.00 32.14 C ATOM 1620 OH TYR A 111 -6.902 13.015 10.207 1.00 3.43 O ATOM 0 H TYR A 111 -4.364 7.688 7.363 1.00 21.20 H new ATOM 0 HA TYR A 111 -5.757 6.739 9.769 1.00 53.42 H new ATOM 0 HB2 TYR A 111 -6.911 7.740 7.126 1.00 25.32 H new ATOM 0 HB3 TYR A 111 -7.841 7.221 8.518 1.00 25.32 H new ATOM 0 HD1 TYR A 111 -7.432 8.569 10.731 1.00 2.12 H new ATOM 0 HD2 TYR A 111 -6.409 10.019 6.866 1.00 2.03 H new ATOM 0 HE1 TYR A 111 -7.434 10.859 11.592 1.00 63.23 H new ATOM 0 HE2 TYR A 111 -6.398 12.320 7.731 1.00 63.22 H new ATOM 0 HH TYR A 111 -6.676 13.640 9.486 1.00 3.43 H new ATOM 1630 N VAL A 112 -6.278 4.540 8.785 1.00 22.20 N ATOM 1631 CA VAL A 112 -6.632 3.290 8.221 1.00 10.23 C ATOM 1632 C VAL A 112 -8.123 3.143 8.384 1.00 23.23 C ATOM 1633 O VAL A 112 -8.652 3.064 9.497 1.00 20.30 O ATOM 1634 CB VAL A 112 -5.833 2.070 8.799 1.00 21.21 C ATOM 1635 CG1 VAL A 112 -4.358 2.191 8.447 1.00 23.01 C ATOM 1636 CG2 VAL A 112 -5.995 1.939 10.305 1.00 10.13 C ATOM 0 H VAL A 112 -6.393 4.602 9.797 1.00 22.20 H new ATOM 0 HA VAL A 112 -6.355 3.281 7.167 1.00 10.23 H new ATOM 0 HB VAL A 112 -6.246 1.170 8.343 1.00 21.21 H new ATOM 0 HG11 VAL A 112 -3.816 1.338 8.854 1.00 23.01 H new ATOM 0 HG12 VAL A 112 -4.243 2.210 7.363 1.00 23.01 H new ATOM 0 HG13 VAL A 112 -3.957 3.112 8.871 1.00 23.01 H new ATOM 0 HG21 VAL A 112 -5.424 1.081 10.659 1.00 10.13 H new ATOM 0 HG22 VAL A 112 -5.629 2.844 10.790 1.00 10.13 H new ATOM 0 HG23 VAL A 112 -7.049 1.798 10.547 1.00 10.13 H new ATOM 1646 N ASN A 113 -8.792 3.212 7.266 1.00 51.25 N ATOM 1647 CA ASN A 113 -10.237 3.162 7.148 1.00 25.34 C ATOM 1648 C ASN A 113 -10.865 4.302 7.971 1.00 55.13 C ATOM 1649 O ASN A 113 -11.945 4.172 8.552 1.00 43.21 O ATOM 1650 CB ASN A 113 -10.713 1.785 7.577 1.00 74.10 C ATOM 1651 CG ASN A 113 -12.104 1.470 7.154 1.00 31.43 C ATOM 1652 OD1 ASN A 113 -12.617 1.993 6.152 1.00 15.40 O ATOM 1653 ND2 ASN A 113 -12.707 0.585 7.852 1.00 71.12 N ATOM 0 H ASN A 113 -8.328 3.310 6.363 1.00 51.25 H new ATOM 0 HA ASN A 113 -10.553 3.314 6.116 1.00 25.34 H new ATOM 0 HB2 ASN A 113 -10.039 1.034 7.165 1.00 74.10 H new ATOM 0 HB3 ASN A 113 -10.648 1.711 8.663 1.00 74.10 H new ATOM 0 HD21 ASN A 113 -13.646 0.283 7.592 1.00 71.12 H new ATOM 0 HD22 ASN A 113 -12.249 0.180 8.669 1.00 71.12 H new ATOM 1660 N ARG A 114 -10.142 5.444 7.942 1.00 13.35 N ATOM 1661 CA ARG A 114 -10.457 6.709 8.641 1.00 10.52 C ATOM 1662 C ARG A 114 -10.030 6.718 10.112 1.00 21.05 C ATOM 1663 O ARG A 114 -10.183 7.723 10.796 1.00 44.21 O ATOM 1664 CB ARG A 114 -11.913 7.186 8.471 1.00 51.02 C ATOM 1665 CG ARG A 114 -12.314 7.494 7.032 1.00 34.40 C ATOM 1666 CD ARG A 114 -13.691 8.130 6.975 1.00 40.31 C ATOM 1667 NE ARG A 114 -13.705 9.472 7.589 1.00 30.51 N ATOM 1668 CZ ARG A 114 -14.628 9.931 8.454 1.00 34.45 C ATOM 1669 NH1 ARG A 114 -15.639 9.153 8.842 1.00 62.53 N ATOM 1670 NH2 ARG A 114 -14.539 11.170 8.918 1.00 74.33 N ATOM 0 H ARG A 114 -9.279 5.511 7.403 1.00 13.35 H new ATOM 0 HA ARG A 114 -9.840 7.445 8.126 1.00 10.52 H new ATOM 0 HB2 ARG A 114 -12.581 6.420 8.865 1.00 51.02 H new ATOM 0 HB3 ARG A 114 -12.062 8.081 9.076 1.00 51.02 H new ATOM 0 HG2 ARG A 114 -11.581 8.164 6.582 1.00 34.40 H new ATOM 0 HG3 ARG A 114 -12.309 6.576 6.445 1.00 34.40 H new ATOM 0 HD2 ARG A 114 -14.014 8.203 5.937 1.00 40.31 H new ATOM 0 HD3 ARG A 114 -14.408 7.489 7.488 1.00 40.31 H new ATOM 0 HE ARG A 114 -12.949 10.107 7.335 1.00 30.51 H new ATOM 0 HH11 ARG A 114 -15.717 8.202 8.483 1.00 62.53 H new ATOM 0 HH12 ARG A 114 -16.334 9.509 9.498 1.00 62.53 H new ATOM 0 HH21 ARG A 114 -13.772 11.773 8.619 1.00 74.33 H new ATOM 0 HH22 ARG A 114 -15.237 11.520 9.574 1.00 74.33 H new ATOM 1684 N GLU A 115 -9.461 5.630 10.577 1.00 22.33 N ATOM 1685 CA GLU A 115 -8.988 5.537 11.948 1.00 42.23 C ATOM 1686 C GLU A 115 -7.501 5.950 12.006 1.00 64.34 C ATOM 1687 O GLU A 115 -6.658 5.294 11.395 1.00 14.11 O ATOM 1688 CB GLU A 115 -9.177 4.096 12.450 1.00 72.22 C ATOM 1689 CG GLU A 115 -8.768 3.845 13.890 1.00 12.12 C ATOM 1690 CD GLU A 115 -9.538 4.688 14.868 1.00 64.53 C ATOM 1691 OE1 GLU A 115 -10.780 4.561 14.932 1.00 14.34 O ATOM 1692 OE2 GLU A 115 -8.920 5.486 15.586 1.00 53.23 O ATOM 0 H GLU A 115 -9.311 4.787 10.023 1.00 22.33 H new ATOM 0 HA GLU A 115 -9.558 6.208 12.590 1.00 42.23 H new ATOM 0 HB2 GLU A 115 -10.227 3.825 12.337 1.00 72.22 H new ATOM 0 HB3 GLU A 115 -8.604 3.428 11.807 1.00 72.22 H new ATOM 0 HG2 GLU A 115 -8.918 2.792 14.128 1.00 12.12 H new ATOM 0 HG3 GLU A 115 -7.703 4.048 14.001 1.00 12.12 H new ATOM 1699 N PRO A 116 -7.167 7.052 12.707 1.00 22.34 N ATOM 1700 CA PRO A 116 -5.783 7.546 12.810 1.00 22.12 C ATOM 1701 C PRO A 116 -4.883 6.583 13.581 1.00 44.41 C ATOM 1702 O PRO A 116 -5.150 6.254 14.742 1.00 74.31 O ATOM 1703 CB PRO A 116 -5.918 8.872 13.564 1.00 13.33 C ATOM 1704 CG PRO A 116 -7.206 8.767 14.302 1.00 12.43 C ATOM 1705 CD PRO A 116 -8.106 7.898 13.468 1.00 72.31 C ATOM 0 HA PRO A 116 -5.319 7.652 11.829 1.00 22.12 H new ATOM 0 HB2 PRO A 116 -5.083 9.024 14.248 1.00 13.33 H new ATOM 0 HB3 PRO A 116 -5.925 9.718 12.877 1.00 13.33 H new ATOM 0 HG2 PRO A 116 -7.053 8.332 15.290 1.00 12.43 H new ATOM 0 HG3 PRO A 116 -7.648 9.752 14.453 1.00 12.43 H new ATOM 0 HD2 PRO A 116 -8.772 7.299 14.089 1.00 72.31 H new ATOM 0 HD3 PRO A 116 -8.736 8.492 12.806 1.00 72.31 H new ATOM 1713 N ARG A 117 -3.830 6.125 12.940 1.00 22.11 N ATOM 1714 CA ARG A 117 -2.925 5.161 13.537 1.00 52.40 C ATOM 1715 C ARG A 117 -1.489 5.556 13.265 1.00 70.43 C ATOM 1716 O ARG A 117 -1.217 6.387 12.401 1.00 41.52 O ATOM 1717 CB ARG A 117 -3.178 3.748 12.971 1.00 15.25 C ATOM 1718 CG ARG A 117 -4.595 3.237 13.174 1.00 61.12 C ATOM 1719 CD ARG A 117 -4.922 2.943 14.626 1.00 51.04 C ATOM 1720 NE ARG A 117 -4.401 1.641 15.067 1.00 4.25 N ATOM 1721 CZ ARG A 117 -5.115 0.780 15.812 1.00 62.02 C ATOM 1722 NH1 ARG A 117 -6.244 1.180 16.385 1.00 21.31 N ATOM 1723 NH2 ARG A 117 -4.672 -0.444 16.040 1.00 23.00 N ATOM 0 H ARG A 117 -3.576 6.408 11.994 1.00 22.11 H new ATOM 0 HA ARG A 117 -3.105 5.150 14.612 1.00 52.40 H new ATOM 0 HB2 ARG A 117 -2.955 3.751 11.904 1.00 15.25 H new ATOM 0 HB3 ARG A 117 -2.483 3.052 13.440 1.00 15.25 H new ATOM 0 HG2 ARG A 117 -5.299 3.976 12.792 1.00 61.12 H new ATOM 0 HG3 ARG A 117 -4.735 2.330 12.586 1.00 61.12 H new ATOM 0 HD2 ARG A 117 -4.506 3.730 15.255 1.00 51.04 H new ATOM 0 HD3 ARG A 117 -6.003 2.964 14.763 1.00 51.04 H new ATOM 0 HE ARG A 117 -3.454 1.379 14.795 1.00 4.25 H new ATOM 0 HH11 ARG A 117 -6.568 2.139 16.259 1.00 21.31 H new ATOM 0 HH12 ARG A 117 -6.788 0.528 16.951 1.00 21.31 H new ATOM 0 HH21 ARG A 117 -3.779 -0.744 15.649 1.00 23.00 H new ATOM 0 HH22 ARG A 117 -5.223 -1.088 16.607 1.00 23.00 H new ATOM 1737 N ASN A 118 -0.601 4.969 14.014 1.00 22.13 N ATOM 1738 CA ASN A 118 0.835 5.155 13.857 1.00 63.54 C ATOM 1739 C ASN A 118 1.380 3.978 13.067 1.00 15.00 C ATOM 1740 O ASN A 118 2.139 4.132 12.107 1.00 33.33 O ATOM 1741 CB ASN A 118 1.497 5.194 15.250 1.00 35.14 C ATOM 1742 CG ASN A 118 3.031 5.253 15.234 1.00 14.34 C ATOM 1743 OD1 ASN A 118 3.680 4.704 16.118 1.00 21.33 O ATOM 1744 ND2 ASN A 118 3.612 5.937 14.286 1.00 31.44 N ATOM 0 H ASN A 118 -0.848 4.331 14.771 1.00 22.13 H new ATOM 0 HA ASN A 118 1.046 6.088 13.335 1.00 63.54 H new ATOM 0 HB2 ASN A 118 1.120 6.062 15.791 1.00 35.14 H new ATOM 0 HB3 ASN A 118 1.187 4.311 15.808 1.00 35.14 H new ATOM 0 HD21 ASN A 118 4.628 6.024 14.269 1.00 31.44 H new ATOM 0 HD22 ASN A 118 3.050 6.384 13.562 1.00 31.44 H new ATOM 1751 N ALA A 119 0.948 2.814 13.466 1.00 23.30 N ATOM 1752 CA ALA A 119 1.342 1.582 12.864 1.00 32.40 C ATOM 1753 C ALA A 119 0.125 0.713 12.793 1.00 63.44 C ATOM 1754 O ALA A 119 -0.713 0.758 13.702 1.00 44.43 O ATOM 1755 CB ALA A 119 2.412 0.922 13.717 1.00 1.21 C ATOM 0 H ALA A 119 0.294 2.699 14.241 1.00 23.30 H new ATOM 0 HA ALA A 119 1.752 1.743 11.867 1.00 32.40 H new ATOM 0 HB1 ALA A 119 2.714 -0.019 13.258 1.00 1.21 H new ATOM 0 HB2 ALA A 119 3.276 1.582 13.792 1.00 1.21 H new ATOM 0 HB3 ALA A 119 2.015 0.729 14.714 1.00 1.21 H new ATOM 1761 N GLN A 120 -0.019 -0.028 11.744 1.00 62.43 N ATOM 1762 CA GLN A 120 -1.154 -0.878 11.608 1.00 31.11 C ATOM 1763 C GLN A 120 -0.750 -2.254 11.132 1.00 33.41 C ATOM 1764 O GLN A 120 0.138 -2.406 10.286 1.00 51.33 O ATOM 1765 CB GLN A 120 -2.215 -0.251 10.678 1.00 51.04 C ATOM 1766 CG GLN A 120 -3.466 -1.115 10.452 1.00 52.25 C ATOM 1767 CD GLN A 120 -4.269 -1.412 11.724 1.00 72.13 C ATOM 1768 OE1 GLN A 120 -3.737 -1.473 12.835 1.00 5.12 O ATOM 1769 NE2 GLN A 120 -5.534 -1.638 11.557 1.00 1.20 N ATOM 0 H GLN A 120 0.639 -0.061 10.965 1.00 62.43 H new ATOM 0 HA GLN A 120 -1.606 -0.989 12.594 1.00 31.11 H new ATOM 0 HB2 GLN A 120 -2.523 0.707 11.096 1.00 51.04 H new ATOM 0 HB3 GLN A 120 -1.754 -0.044 9.712 1.00 51.04 H new ATOM 0 HG2 GLN A 120 -4.116 -0.612 9.736 1.00 52.25 H new ATOM 0 HG3 GLN A 120 -3.164 -2.059 9.999 1.00 52.25 H new ATOM 0 HE21 GLN A 120 -5.944 -1.580 10.625 1.00 1.20 H new ATOM 0 HE22 GLN A 120 -6.120 -1.874 12.358 1.00 1.20 H new ATOM 1778 N VAL A 121 -1.400 -3.236 11.679 1.00 61.43 N ATOM 1779 CA VAL A 121 -1.193 -4.598 11.306 1.00 15.44 C ATOM 1780 C VAL A 121 -2.180 -4.890 10.192 1.00 51.43 C ATOM 1781 O VAL A 121 -3.315 -4.403 10.250 1.00 30.33 O ATOM 1782 CB VAL A 121 -1.365 -5.578 12.518 1.00 24.31 C ATOM 1783 CG1 VAL A 121 -2.751 -5.482 13.152 1.00 10.21 C ATOM 1784 CG2 VAL A 121 -1.050 -7.014 12.117 1.00 11.53 C ATOM 0 H VAL A 121 -2.101 -3.109 12.409 1.00 61.43 H new ATOM 0 HA VAL A 121 -0.169 -4.753 10.967 1.00 15.44 H new ATOM 0 HB VAL A 121 -0.644 -5.268 13.275 1.00 24.31 H new ATOM 0 HG11 VAL A 121 -2.819 -6.180 13.986 1.00 10.21 H new ATOM 0 HG12 VAL A 121 -2.916 -4.467 13.514 1.00 10.21 H new ATOM 0 HG13 VAL A 121 -3.509 -5.730 12.409 1.00 10.21 H new ATOM 0 HG21 VAL A 121 -1.178 -7.669 12.979 1.00 11.53 H new ATOM 0 HG22 VAL A 121 -1.725 -7.326 11.320 1.00 11.53 H new ATOM 0 HG23 VAL A 121 -0.020 -7.076 11.765 1.00 11.53 H new ATOM 1794 N MET A 122 -1.710 -5.549 9.133 1.00 23.54 N ATOM 1795 CA MET A 122 -2.531 -5.854 7.953 1.00 53.14 C ATOM 1796 C MET A 122 -3.951 -6.295 8.315 1.00 33.40 C ATOM 1797 O MET A 122 -4.171 -7.219 9.105 1.00 45.25 O ATOM 1798 CB MET A 122 -1.890 -6.912 7.032 1.00 20.33 C ATOM 1799 CG MET A 122 -1.851 -8.335 7.587 1.00 2.11 C ATOM 1800 SD MET A 122 -1.375 -9.547 6.340 1.00 40.11 S ATOM 1801 CE MET A 122 -1.574 -11.065 7.265 1.00 14.04 C ATOM 0 H MET A 122 -0.750 -5.888 9.065 1.00 23.54 H new ATOM 0 HA MET A 122 -2.588 -4.911 7.409 1.00 53.14 H new ATOM 0 HB2 MET A 122 -2.435 -6.924 6.088 1.00 20.33 H new ATOM 0 HB3 MET A 122 -0.870 -6.601 6.807 1.00 20.33 H new ATOM 0 HG2 MET A 122 -1.148 -8.378 8.419 1.00 2.11 H new ATOM 0 HG3 MET A 122 -2.832 -8.594 7.985 1.00 2.11 H new ATOM 0 HE1 MET A 122 -1.317 -11.914 6.631 1.00 14.04 H new ATOM 0 HE2 MET A 122 -0.917 -11.050 8.135 1.00 14.04 H new ATOM 0 HE3 MET A 122 -2.609 -11.158 7.594 1.00 14.04 H new ATOM 1811 N GLN A 123 -4.889 -5.596 7.779 1.00 32.32 N ATOM 1812 CA GLN A 123 -6.255 -5.906 7.961 1.00 61.24 C ATOM 1813 C GLN A 123 -6.852 -5.997 6.581 1.00 61.21 C ATOM 1814 O GLN A 123 -6.713 -5.078 5.776 1.00 11.14 O ATOM 1815 CB GLN A 123 -6.922 -4.846 8.858 1.00 53.44 C ATOM 1816 CG GLN A 123 -8.384 -5.100 9.183 1.00 52.32 C ATOM 1817 CD GLN A 123 -8.858 -4.279 10.368 1.00 14.50 C ATOM 1818 OE1 GLN A 123 -8.782 -4.727 11.508 1.00 23.44 O ATOM 1819 NE2 GLN A 123 -9.327 -3.085 10.133 1.00 73.11 N ATOM 0 H GLN A 123 -4.721 -4.779 7.192 1.00 32.32 H new ATOM 0 HA GLN A 123 -6.409 -6.853 8.478 1.00 61.24 H new ATOM 0 HB2 GLN A 123 -6.365 -4.781 9.793 1.00 53.44 H new ATOM 0 HB3 GLN A 123 -6.838 -3.875 8.369 1.00 53.44 H new ATOM 0 HG2 GLN A 123 -8.995 -4.864 8.312 1.00 52.32 H new ATOM 0 HG3 GLN A 123 -8.529 -6.159 9.396 1.00 52.32 H new ATOM 0 HE21 GLN A 123 -9.379 -2.737 9.176 1.00 73.11 H new ATOM 0 HE22 GLN A 123 -9.642 -2.499 10.907 1.00 73.11 H new ATOM 1828 N THR A 124 -7.460 -7.102 6.295 1.00 65.50 N ATOM 1829 CA THR A 124 -7.935 -7.374 4.975 1.00 33.11 C ATOM 1830 C THR A 124 -9.233 -6.649 4.683 1.00 61.44 C ATOM 1831 O THR A 124 -10.198 -6.739 5.446 1.00 50.54 O ATOM 1832 CB THR A 124 -8.077 -8.893 4.744 1.00 4.22 C ATOM 1833 OG1 THR A 124 -8.850 -9.498 5.805 1.00 31.50 O ATOM 1834 CG2 THR A 124 -6.710 -9.554 4.684 1.00 75.20 C ATOM 0 H THR A 124 -7.642 -7.844 6.971 1.00 65.50 H new ATOM 0 HA THR A 124 -7.192 -6.994 4.274 1.00 33.11 H new ATOM 0 HB THR A 124 -8.591 -9.040 3.794 1.00 4.22 H new ATOM 0 HG1 THR A 124 -9.600 -8.912 6.038 1.00 31.50 H new ATOM 0 HG21 THR A 124 -6.831 -10.625 4.521 1.00 75.20 H new ATOM 0 HG22 THR A 124 -6.134 -9.124 3.864 1.00 75.20 H new ATOM 0 HG23 THR A 124 -6.184 -9.387 5.624 1.00 75.20 H new ATOM 1842 N GLY A 125 -9.217 -5.878 3.615 1.00 23.01 N ATOM 1843 CA GLY A 125 -10.378 -5.126 3.216 1.00 41.15 C ATOM 1844 C GLY A 125 -10.348 -3.743 3.802 1.00 42.25 C ATOM 1845 O GLY A 125 -11.256 -2.940 3.583 1.00 5.52 O ATOM 0 H GLY A 125 -8.406 -5.759 3.008 1.00 23.01 H new ATOM 0 HA2 GLY A 125 -10.420 -5.064 2.129 1.00 41.15 H new ATOM 0 HA3 GLY A 125 -11.281 -5.643 3.541 1.00 41.15 H new ATOM 1849 N ASP A 126 -9.293 -3.450 4.530 1.00 35.13 N ATOM 1850 CA ASP A 126 -9.174 -2.176 5.182 1.00 64.32 C ATOM 1851 C ASP A 126 -8.476 -1.229 4.245 1.00 33.42 C ATOM 1852 O ASP A 126 -7.686 -1.664 3.382 1.00 73.13 O ATOM 1853 CB ASP A 126 -8.401 -2.296 6.488 1.00 72.21 C ATOM 1854 CG ASP A 126 -8.664 -1.136 7.411 1.00 31.12 C ATOM 1855 OD1 ASP A 126 -9.656 -1.221 8.182 1.00 72.21 O ATOM 1856 OD2 ASP A 126 -7.926 -0.157 7.397 1.00 61.54 O ATOM 0 H ASP A 126 -8.507 -4.082 4.682 1.00 35.13 H new ATOM 0 HA ASP A 126 -10.167 -1.800 5.427 1.00 64.32 H new ATOM 0 HB2 ASP A 126 -8.676 -3.225 6.987 1.00 72.21 H new ATOM 0 HB3 ASP A 126 -7.334 -2.353 6.273 1.00 72.21 H new ATOM 1861 N GLU A 127 -8.761 0.026 4.371 1.00 54.42 N ATOM 1862 CA GLU A 127 -8.208 0.997 3.462 1.00 51.25 C ATOM 1863 C GLU A 127 -7.246 1.936 4.145 1.00 34.52 C ATOM 1864 O GLU A 127 -7.585 2.584 5.096 1.00 63.13 O ATOM 1865 CB GLU A 127 -9.323 1.781 2.798 1.00 75.43 C ATOM 1866 CG GLU A 127 -10.186 0.940 1.889 1.00 72.24 C ATOM 1867 CD GLU A 127 -11.379 1.687 1.395 1.00 55.20 C ATOM 1868 OE1 GLU A 127 -11.248 2.542 0.509 1.00 14.10 O ATOM 1869 OE2 GLU A 127 -12.485 1.442 1.914 1.00 3.42 O ATOM 0 H GLU A 127 -9.372 0.410 5.091 1.00 54.42 H new ATOM 0 HA GLU A 127 -7.644 0.451 2.705 1.00 51.25 H new ATOM 0 HB2 GLU A 127 -9.950 2.231 3.568 1.00 75.43 H new ATOM 0 HB3 GLU A 127 -8.890 2.598 2.222 1.00 75.43 H new ATOM 0 HG2 GLU A 127 -9.594 0.602 1.039 1.00 72.24 H new ATOM 0 HG3 GLU A 127 -10.513 0.049 2.424 1.00 72.24 H new ATOM 1876 N ILE A 128 -6.096 2.083 3.588 1.00 64.03 N ATOM 1877 CA ILE A 128 -5.103 2.953 4.132 1.00 55.34 C ATOM 1878 C ILE A 128 -5.255 4.262 3.400 1.00 62.20 C ATOM 1879 O ILE A 128 -5.109 4.334 2.175 1.00 2.13 O ATOM 1880 CB ILE A 128 -3.669 2.390 3.931 1.00 31.41 C ATOM 1881 CG1 ILE A 128 -3.564 0.978 4.542 1.00 32.32 C ATOM 1882 CG2 ILE A 128 -2.634 3.332 4.563 1.00 75.33 C ATOM 1883 CD1 ILE A 128 -2.215 0.308 4.346 1.00 40.42 C ATOM 0 H ILE A 128 -5.811 1.601 2.735 1.00 64.03 H new ATOM 0 HA ILE A 128 -5.240 3.065 5.208 1.00 55.34 H new ATOM 0 HB ILE A 128 -3.463 2.321 2.863 1.00 31.41 H new ATOM 0 HG12 ILE A 128 -3.773 1.041 5.610 1.00 32.32 H new ATOM 0 HG13 ILE A 128 -4.337 0.347 4.103 1.00 32.32 H new ATOM 0 HG21 ILE A 128 -1.634 2.925 4.415 1.00 75.33 H new ATOM 0 HG22 ILE A 128 -2.700 4.313 4.093 1.00 75.33 H new ATOM 0 HG23 ILE A 128 -2.833 3.427 5.631 1.00 75.33 H new ATOM 0 HD11 ILE A 128 -2.229 -0.680 4.806 1.00 40.42 H new ATOM 0 HD12 ILE A 128 -2.009 0.209 3.280 1.00 40.42 H new ATOM 0 HD13 ILE A 128 -1.437 0.914 4.811 1.00 40.42 H new ATOM 1895 N GLN A 129 -5.615 5.265 4.136 1.00 22.50 N ATOM 1896 CA GLN A 129 -5.950 6.529 3.588 1.00 62.34 C ATOM 1897 C GLN A 129 -5.006 7.579 4.097 1.00 31.32 C ATOM 1898 O GLN A 129 -4.891 7.813 5.310 1.00 4.41 O ATOM 1899 CB GLN A 129 -7.395 6.871 3.937 1.00 40.23 C ATOM 1900 CG GLN A 129 -8.394 5.883 3.354 1.00 21.31 C ATOM 1901 CD GLN A 129 -9.808 6.118 3.819 1.00 62.01 C ATOM 1902 OE1 GLN A 129 -10.208 7.234 4.115 1.00 62.45 O ATOM 1903 NE2 GLN A 129 -10.576 5.071 3.875 1.00 53.25 N ATOM 0 H GLN A 129 -5.684 5.222 5.153 1.00 22.50 H new ATOM 0 HA GLN A 129 -5.857 6.492 2.503 1.00 62.34 H new ATOM 0 HB2 GLN A 129 -7.506 6.895 5.021 1.00 40.23 H new ATOM 0 HB3 GLN A 129 -7.625 7.872 3.571 1.00 40.23 H new ATOM 0 HG2 GLN A 129 -8.362 5.944 2.266 1.00 21.31 H new ATOM 0 HG3 GLN A 129 -8.094 4.871 3.625 1.00 21.31 H new ATOM 0 HE21 GLN A 129 -10.208 4.154 3.620 1.00 53.25 H new ATOM 0 HE22 GLN A 129 -11.547 5.166 4.174 1.00 53.25 H new ATOM 1912 N ILE A 130 -4.319 8.180 3.187 1.00 75.53 N ATOM 1913 CA ILE A 130 -3.384 9.226 3.504 1.00 22.15 C ATOM 1914 C ILE A 130 -3.751 10.467 2.738 1.00 51.51 C ATOM 1915 O ILE A 130 -3.925 10.423 1.509 1.00 0.00 O ATOM 1916 CB ILE A 130 -1.898 8.811 3.290 1.00 0.24 C ATOM 1917 CG1 ILE A 130 -1.693 8.125 1.923 1.00 40.14 C ATOM 1918 CG2 ILE A 130 -1.422 7.919 4.439 1.00 62.11 C ATOM 1919 CD1 ILE A 130 -0.275 7.642 1.682 1.00 0.31 C ATOM 0 H ILE A 130 -4.384 7.964 2.192 1.00 75.53 H new ATOM 0 HA ILE A 130 -3.458 9.433 4.572 1.00 22.15 H new ATOM 0 HB ILE A 130 -1.291 9.716 3.287 1.00 0.24 H new ATOM 0 HG12 ILE A 130 -2.373 7.276 1.848 1.00 40.14 H new ATOM 0 HG13 ILE A 130 -1.967 8.824 1.133 1.00 40.14 H new ATOM 0 HG21 ILE A 130 -0.382 7.638 4.274 1.00 62.11 H new ATOM 0 HG22 ILE A 130 -1.506 8.462 5.380 1.00 62.11 H new ATOM 0 HG23 ILE A 130 -2.038 7.021 4.482 1.00 62.11 H new ATOM 0 HD11 ILE A 130 -0.213 7.172 0.701 1.00 0.31 H new ATOM 0 HD12 ILE A 130 0.410 8.489 1.723 1.00 0.31 H new ATOM 0 HD13 ILE A 130 -0.002 6.918 2.449 1.00 0.31 H new ATOM 1931 N GLY A 131 -3.921 11.552 3.462 1.00 30.12 N ATOM 1932 CA GLY A 131 -4.451 12.752 2.884 1.00 21.42 C ATOM 1933 C GLY A 131 -5.900 12.521 2.530 1.00 72.42 C ATOM 1934 O GLY A 131 -6.777 12.518 3.404 1.00 10.25 O ATOM 0 H GLY A 131 -3.697 11.620 4.455 1.00 30.12 H new ATOM 0 HA2 GLY A 131 -4.361 13.581 3.586 1.00 21.42 H new ATOM 0 HA3 GLY A 131 -3.884 13.025 1.994 1.00 21.42 H new ATOM 1938 N LYS A 132 -6.148 12.300 1.265 1.00 53.14 N ATOM 1939 CA LYS A 132 -7.461 11.938 0.773 1.00 14.14 C ATOM 1940 C LYS A 132 -7.314 10.831 -0.256 1.00 5.15 C ATOM 1941 O LYS A 132 -8.207 10.584 -1.065 1.00 14.31 O ATOM 1942 CB LYS A 132 -8.168 13.143 0.154 1.00 54.45 C ATOM 1943 CG LYS A 132 -8.447 14.274 1.135 1.00 61.12 C ATOM 1944 CD LYS A 132 -9.196 15.424 0.486 1.00 53.01 C ATOM 1945 CE LYS A 132 -8.441 16.004 -0.700 1.00 0.21 C ATOM 1946 NZ LYS A 132 -7.094 16.503 -0.338 1.00 60.32 N ATOM 0 H LYS A 132 -5.438 12.366 0.535 1.00 53.14 H new ATOM 0 HA LYS A 132 -8.069 11.590 1.608 1.00 14.14 H new ATOM 0 HB2 LYS A 132 -7.558 13.528 -0.663 1.00 54.45 H new ATOM 0 HB3 LYS A 132 -9.111 12.813 -0.281 1.00 54.45 H new ATOM 0 HG2 LYS A 132 -9.029 13.891 1.973 1.00 61.12 H new ATOM 0 HG3 LYS A 132 -7.505 14.640 1.542 1.00 61.12 H new ATOM 0 HD2 LYS A 132 -10.176 15.078 0.157 1.00 53.01 H new ATOM 0 HD3 LYS A 132 -9.366 16.207 1.225 1.00 53.01 H new ATOM 0 HE2 LYS A 132 -8.345 15.240 -1.472 1.00 0.21 H new ATOM 0 HE3 LYS A 132 -9.022 16.820 -1.130 1.00 0.21 H new ATOM 0 HZ1 LYS A 132 -6.667 16.977 -1.159 1.00 60.32 H new ATOM 0 HZ2 LYS A 132 -7.174 17.178 0.449 1.00 60.32 H new ATOM 0 HZ3 LYS A 132 -6.494 15.704 -0.049 1.00 60.32 H new ATOM 1960 N PHE A 133 -6.180 10.172 -0.224 1.00 51.40 N ATOM 1961 CA PHE A 133 -5.902 9.095 -1.140 1.00 72.55 C ATOM 1962 C PHE A 133 -6.298 7.766 -0.523 1.00 54.42 C ATOM 1963 O PHE A 133 -6.215 7.597 0.703 1.00 34.12 O ATOM 1964 CB PHE A 133 -4.442 9.086 -1.532 1.00 53.14 C ATOM 1965 CG PHE A 133 -4.001 10.275 -2.345 1.00 13.13 C ATOM 1966 CD1 PHE A 133 -4.363 10.388 -3.679 1.00 22.13 C ATOM 1967 CD2 PHE A 133 -3.212 11.269 -1.785 1.00 75.04 C ATOM 1968 CE1 PHE A 133 -3.948 11.466 -4.437 1.00 3.32 C ATOM 1969 CE2 PHE A 133 -2.792 12.349 -2.540 1.00 13.44 C ATOM 1970 CZ PHE A 133 -3.161 12.446 -3.867 1.00 1.25 C ATOM 0 H PHE A 133 -5.427 10.367 0.436 1.00 51.40 H new ATOM 0 HA PHE A 133 -6.492 9.250 -2.043 1.00 72.55 H new ATOM 0 HB2 PHE A 133 -3.837 9.038 -0.627 1.00 53.14 H new ATOM 0 HB3 PHE A 133 -4.238 8.179 -2.100 1.00 53.14 H new ATOM 0 HD1 PHE A 133 -4.977 9.623 -4.131 1.00 22.13 H new ATOM 0 HD2 PHE A 133 -2.922 11.199 -0.747 1.00 75.04 H new ATOM 0 HE1 PHE A 133 -4.239 11.542 -5.474 1.00 3.32 H new ATOM 0 HE2 PHE A 133 -2.176 13.115 -2.092 1.00 13.44 H new ATOM 0 HZ PHE A 133 -2.834 13.288 -4.459 1.00 1.25 H new ATOM 1980 N ARG A 134 -6.684 6.816 -1.369 1.00 31.41 N ATOM 1981 CA ARG A 134 -7.240 5.555 -0.909 1.00 44.42 C ATOM 1982 C ARG A 134 -6.450 4.363 -1.453 1.00 34.55 C ATOM 1983 O ARG A 134 -6.277 4.199 -2.682 1.00 40.30 O ATOM 1984 CB ARG A 134 -8.713 5.450 -1.336 1.00 61.42 C ATOM 1985 CG ARG A 134 -9.568 6.618 -0.865 1.00 63.31 C ATOM 1986 CD ARG A 134 -10.978 6.552 -1.415 1.00 20.52 C ATOM 1987 NE ARG A 134 -11.723 7.784 -1.123 1.00 64.44 N ATOM 1988 CZ ARG A 134 -12.658 8.329 -1.925 1.00 22.25 C ATOM 1989 NH1 ARG A 134 -13.111 7.653 -2.985 1.00 63.24 N ATOM 1990 NH2 ARG A 134 -13.172 9.525 -1.634 1.00 31.11 N ATOM 0 H ARG A 134 -6.620 6.900 -2.383 1.00 31.41 H new ATOM 0 HA ARG A 134 -7.172 5.531 0.179 1.00 44.42 H new ATOM 0 HB2 ARG A 134 -8.764 5.388 -2.423 1.00 61.42 H new ATOM 0 HB3 ARG A 134 -9.131 4.523 -0.944 1.00 61.42 H new ATOM 0 HG2 ARG A 134 -9.604 6.624 0.224 1.00 63.31 H new ATOM 0 HG3 ARG A 134 -9.103 7.554 -1.173 1.00 63.31 H new ATOM 0 HD2 ARG A 134 -10.943 6.392 -2.493 1.00 20.52 H new ATOM 0 HD3 ARG A 134 -11.500 5.698 -0.983 1.00 20.52 H new ATOM 0 HE ARG A 134 -11.517 8.263 -0.246 1.00 64.44 H new ATOM 0 HH11 ARG A 134 -12.749 6.722 -3.189 1.00 63.24 H new ATOM 0 HH12 ARG A 134 -13.819 8.068 -3.590 1.00 63.24 H new ATOM 0 HH21 ARG A 134 -12.857 10.027 -0.804 1.00 31.11 H new ATOM 0 HH22 ARG A 134 -13.880 9.937 -2.242 1.00 31.11 H new ATOM 2004 N LEU A 135 -5.971 3.566 -0.547 1.00 15.45 N ATOM 2005 CA LEU A 135 -5.239 2.356 -0.832 1.00 23.22 C ATOM 2006 C LEU A 135 -5.979 1.218 -0.125 1.00 1.23 C ATOM 2007 O LEU A 135 -6.292 1.343 1.030 1.00 73.15 O ATOM 2008 CB LEU A 135 -3.797 2.563 -0.281 1.00 4.44 C ATOM 2009 CG LEU A 135 -2.729 1.461 -0.440 1.00 73.50 C ATOM 2010 CD1 LEU A 135 -1.369 2.051 -0.106 1.00 10.15 C ATOM 2011 CD2 LEU A 135 -2.988 0.282 0.495 1.00 11.32 C ATOM 0 H LEU A 135 -6.080 3.742 0.452 1.00 15.45 H new ATOM 0 HA LEU A 135 -5.171 2.117 -1.893 1.00 23.22 H new ATOM 0 HB2 LEU A 135 -3.401 3.464 -0.749 1.00 4.44 H new ATOM 0 HB3 LEU A 135 -3.887 2.771 0.785 1.00 4.44 H new ATOM 0 HG LEU A 135 -2.765 1.098 -1.467 1.00 73.50 H new ATOM 0 HD11 LEU A 135 -0.603 1.283 -0.214 1.00 10.15 H new ATOM 0 HD12 LEU A 135 -1.154 2.876 -0.785 1.00 10.15 H new ATOM 0 HD13 LEU A 135 -1.373 2.417 0.921 1.00 10.15 H new ATOM 0 HD21 LEU A 135 -2.214 -0.472 0.352 1.00 11.32 H new ATOM 0 HD22 LEU A 135 -2.972 0.627 1.529 1.00 11.32 H new ATOM 0 HD23 LEU A 135 -3.963 -0.152 0.272 1.00 11.32 H new ATOM 2023 N VAL A 136 -6.275 0.144 -0.807 1.00 23.23 N ATOM 2024 CA VAL A 136 -7.009 -0.954 -0.185 1.00 3.34 C ATOM 2025 C VAL A 136 -6.046 -2.118 0.020 1.00 41.12 C ATOM 2026 O VAL A 136 -5.346 -2.516 -0.921 1.00 21.54 O ATOM 2027 CB VAL A 136 -8.202 -1.429 -1.069 1.00 23.10 C ATOM 2028 CG1 VAL A 136 -9.122 -2.369 -0.297 1.00 64.35 C ATOM 2029 CG2 VAL A 136 -8.981 -0.252 -1.659 1.00 60.41 C ATOM 0 H VAL A 136 -6.027 -0.005 -1.785 1.00 23.23 H new ATOM 0 HA VAL A 136 -7.417 -0.605 0.764 1.00 3.34 H new ATOM 0 HB VAL A 136 -7.780 -1.986 -1.905 1.00 23.10 H new ATOM 0 HG11 VAL A 136 -9.944 -2.683 -0.940 1.00 64.35 H new ATOM 0 HG12 VAL A 136 -8.559 -3.245 0.026 1.00 64.35 H new ATOM 0 HG13 VAL A 136 -9.521 -1.852 0.576 1.00 64.35 H new ATOM 0 HG21 VAL A 136 -9.803 -0.628 -2.268 1.00 60.41 H new ATOM 0 HG22 VAL A 136 -9.379 0.362 -0.851 1.00 60.41 H new ATOM 0 HG23 VAL A 136 -8.317 0.350 -2.279 1.00 60.41 H new ATOM 2039 N PHE A 137 -5.986 -2.653 1.219 1.00 11.51 N ATOM 2040 CA PHE A 137 -5.044 -3.718 1.509 1.00 1.24 C ATOM 2041 C PHE A 137 -5.777 -5.069 1.617 1.00 32.11 C ATOM 2042 O PHE A 137 -6.785 -5.192 2.336 1.00 62.12 O ATOM 2043 CB PHE A 137 -4.281 -3.398 2.801 1.00 20.03 C ATOM 2044 CG PHE A 137 -2.996 -4.159 2.954 1.00 54.54 C ATOM 2045 CD1 PHE A 137 -2.968 -5.413 3.534 1.00 50.12 C ATOM 2046 CD2 PHE A 137 -1.806 -3.603 2.507 1.00 64.45 C ATOM 2047 CE1 PHE A 137 -1.778 -6.099 3.662 1.00 51.41 C ATOM 2048 CE2 PHE A 137 -0.616 -4.284 2.634 1.00 63.14 C ATOM 2049 CZ PHE A 137 -0.601 -5.534 3.213 1.00 73.52 C ATOM 0 H PHE A 137 -6.572 -2.373 2.005 1.00 11.51 H new ATOM 0 HA PHE A 137 -4.325 -3.793 0.693 1.00 1.24 H new ATOM 0 HB2 PHE A 137 -4.065 -2.330 2.828 1.00 20.03 H new ATOM 0 HB3 PHE A 137 -4.924 -3.615 3.654 1.00 20.03 H new ATOM 0 HD1 PHE A 137 -3.885 -5.859 3.890 1.00 50.12 H new ATOM 0 HD2 PHE A 137 -1.813 -2.623 2.053 1.00 64.45 H new ATOM 0 HE1 PHE A 137 -1.767 -7.080 4.114 1.00 51.41 H new ATOM 0 HE2 PHE A 137 0.303 -3.840 2.281 1.00 63.14 H new ATOM 0 HZ PHE A 137 0.330 -6.071 3.316 1.00 73.52 H new ATOM 2059 N LEU A 138 -5.283 -6.069 0.901 1.00 53.11 N ATOM 2060 CA LEU A 138 -5.900 -7.393 0.869 1.00 72.30 C ATOM 2061 C LEU A 138 -4.843 -8.473 1.069 1.00 54.40 C ATOM 2062 O LEU A 138 -3.642 -8.200 1.017 1.00 25.22 O ATOM 2063 CB LEU A 138 -6.602 -7.676 -0.493 1.00 0.41 C ATOM 2064 CG LEU A 138 -7.793 -6.800 -0.931 1.00 40.41 C ATOM 2065 CD1 LEU A 138 -8.856 -6.694 0.145 1.00 44.04 C ATOM 2066 CD2 LEU A 138 -7.355 -5.437 -1.442 1.00 74.23 C ATOM 0 H LEU A 138 -4.445 -5.989 0.326 1.00 53.11 H new ATOM 0 HA LEU A 138 -6.639 -7.411 1.670 1.00 72.30 H new ATOM 0 HB2 LEU A 138 -5.843 -7.608 -1.272 1.00 0.41 H new ATOM 0 HB3 LEU A 138 -6.947 -8.710 -0.474 1.00 0.41 H new ATOM 0 HG LEU A 138 -8.255 -7.312 -1.775 1.00 40.41 H new ATOM 0 HD11 LEU A 138 -9.673 -6.067 -0.211 1.00 44.04 H new ATOM 0 HD12 LEU A 138 -9.237 -7.688 0.379 1.00 44.04 H new ATOM 0 HD13 LEU A 138 -8.423 -6.251 1.042 1.00 44.04 H new ATOM 0 HD21 LEU A 138 -8.232 -4.860 -1.737 1.00 74.23 H new ATOM 0 HD22 LEU A 138 -6.821 -4.907 -0.653 1.00 74.23 H new ATOM 0 HD23 LEU A 138 -6.698 -5.565 -2.302 1.00 74.23 H new ATOM 2078 N ALA A 139 -5.288 -9.690 1.280 1.00 14.14 N ATOM 2079 CA ALA A 139 -4.386 -10.826 1.365 1.00 22.14 C ATOM 2080 C ALA A 139 -4.254 -11.417 -0.028 1.00 65.24 C ATOM 2081 O ALA A 139 -5.250 -11.509 -0.754 1.00 54.20 O ATOM 2082 CB ALA A 139 -4.911 -11.869 2.338 1.00 23.34 C ATOM 0 H ALA A 139 -6.274 -9.924 1.397 1.00 14.14 H new ATOM 0 HA ALA A 139 -3.414 -10.501 1.736 1.00 22.14 H new ATOM 0 HB1 ALA A 139 -4.216 -12.708 2.382 1.00 23.34 H new ATOM 0 HB2 ALA A 139 -5.008 -11.426 3.329 1.00 23.34 H new ATOM 0 HB3 ALA A 139 -5.886 -12.222 2.002 1.00 23.34 H new ATOM 2088 N GLY A 140 -3.061 -11.803 -0.409 1.00 44.11 N ATOM 2089 CA GLY A 140 -2.849 -12.273 -1.752 1.00 24.41 C ATOM 2090 C GLY A 140 -2.743 -13.774 -1.841 1.00 71.53 C ATOM 2091 O GLY A 140 -2.703 -14.463 -0.807 1.00 61.13 O ATOM 0 H GLY A 140 -2.232 -11.801 0.185 1.00 44.11 H new ATOM 0 HA2 GLY A 140 -3.670 -11.934 -2.383 1.00 24.41 H new ATOM 0 HA3 GLY A 140 -1.937 -11.826 -2.148 1.00 24.41 H new ATOM 2095 N PRO A 141 -2.727 -14.320 -3.058 1.00 65.45 N ATOM 2096 CA PRO A 141 -2.583 -15.748 -3.272 1.00 72.02 C ATOM 2097 C PRO A 141 -1.127 -16.186 -3.171 1.00 61.10 C ATOM 2098 O PRO A 141 -0.201 -15.361 -3.227 1.00 70.01 O ATOM 2099 CB PRO A 141 -3.073 -15.941 -4.703 1.00 1.51 C ATOM 2100 CG PRO A 141 -2.759 -14.655 -5.385 1.00 4.42 C ATOM 2101 CD PRO A 141 -2.864 -13.580 -4.336 1.00 14.24 C ATOM 0 HA PRO A 141 -3.130 -16.331 -2.531 1.00 72.02 H new ATOM 0 HB2 PRO A 141 -2.569 -16.779 -5.185 1.00 1.51 H new ATOM 0 HB3 PRO A 141 -4.142 -16.154 -4.731 1.00 1.51 H new ATOM 0 HG2 PRO A 141 -1.759 -14.679 -5.817 1.00 4.42 H new ATOM 0 HG3 PRO A 141 -3.455 -14.469 -6.203 1.00 4.42 H new ATOM 0 HD2 PRO A 141 -2.081 -12.831 -4.451 1.00 14.24 H new ATOM 0 HD3 PRO A 141 -3.818 -13.055 -4.395 1.00 14.24 H new ATOM 2109 N ALA A 142 -0.925 -17.461 -3.039 1.00 32.03 N ATOM 2110 CA ALA A 142 0.383 -18.022 -2.974 1.00 43.24 C ATOM 2111 C ALA A 142 0.646 -18.780 -4.250 1.00 71.21 C ATOM 2112 O ALA A 142 -0.178 -19.595 -4.665 1.00 64.44 O ATOM 2113 CB ALA A 142 0.511 -18.931 -1.768 1.00 11.54 C ATOM 0 H ALA A 142 -1.676 -18.148 -2.973 1.00 32.03 H new ATOM 0 HA ALA A 142 1.122 -17.228 -2.866 1.00 43.24 H new ATOM 0 HB1 ALA A 142 1.516 -19.351 -1.734 1.00 11.54 H new ATOM 0 HB2 ALA A 142 0.326 -18.358 -0.859 1.00 11.54 H new ATOM 0 HB3 ALA A 142 -0.217 -19.739 -1.842 1.00 11.54 H new ATOM 2119 N GLU A 143 1.723 -18.450 -4.907 1.00 42.42 N ATOM 2120 CA GLU A 143 2.134 -19.115 -6.102 1.00 4.02 C ATOM 2121 C GLU A 143 2.653 -20.527 -5.783 1.00 0.50 C ATOM 2122 O GLU A 143 3.709 -20.659 -5.155 1.00 39.12 O ATOM 2123 CB GLU A 143 3.158 -18.249 -6.871 1.00 20.13 C ATOM 2124 CG GLU A 143 4.337 -17.718 -6.044 1.00 74.24 C ATOM 2125 CD GLU A 143 5.309 -16.885 -6.864 1.00 41.41 C ATOM 2126 OE1 GLU A 143 5.112 -15.658 -6.994 1.00 51.22 O ATOM 2127 OE2 GLU A 143 6.297 -17.437 -7.386 1.00 13.31 O ATOM 2128 OXT GLU A 143 1.979 -21.518 -6.130 1.00 39.12 O ATOM 0 H GLU A 143 2.348 -17.697 -4.618 1.00 42.42 H new ATOM 0 HA GLU A 143 1.276 -19.245 -6.761 1.00 4.02 H new ATOM 0 HB2 GLU A 143 3.555 -18.837 -7.698 1.00 20.13 H new ATOM 0 HB3 GLU A 143 2.632 -17.399 -7.307 1.00 20.13 H new ATOM 0 HG2 GLU A 143 3.954 -17.114 -5.221 1.00 74.24 H new ATOM 0 HG3 GLU A 143 4.871 -18.559 -5.601 1.00 74.24 H new TER 2135 GLU A 143