USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1050 hydrogens (6 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 NoAdj-H: A 15 TPO H2 : A 15 TPO N : A 14 THR C :(H bumps) USER MOD NoAdj-H: A 15 TPO H : A 15 TPO N : A 14 THR C :(H bumps) USER MOD Set 1.1: A 89 HIS : no HE2:sc= -1.16 K(o=-0.022,f=-6.1!) USER MOD Set 1.2: A 110 THR OG1 : rot -48:sc= 1.14 USER MOD Set 2.1: A 84 THR OG1 : rot 18:sc= 0.374 USER MOD Set 2.2: A 86 SER OG : rot 110:sc= 0.787 USER MOD Set 2.3: A 108 ASN : amide:sc= 0.713 K(o=1.9,f=-2.8!) USER MOD Set 3.1: A 106 SER OG : rot -55:sc= 1.33 USER MOD Set 3.2: A 118 ASN : amide:sc= 0 X(o=1.3,f=1.2) USER MOD Set 4.1: A 65 GLN : amide:sc= 2.31 K(o=2.3,f=-14!) USER MOD Set 4.2: A 68 THR OG1 : rot -160:sc= 0 USER MOD Set 5.1: A 32 THR OG1 : rot 86:sc= -1.59! USER MOD Set 5.2: A 113 ASN : amide:sc= -0.673 K(o=-2.3,f=-7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0335) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0.651 K(o=0.65,f=-6.2!) USER MOD Single : A 5 ASN : amide:sc= -0.0241 X(o=-0.024,f=-0.22) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 78:sc= 1.19 USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= 1.26 (180deg=0.852) USER MOD Single : A 26 MET CE :methyl -111:sc= -0.473 (180deg=-4.35!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -86:sc= 0.373 USER MOD Single : A 30 THR OG1 : rot -16:sc= 0.699 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= -0.0761 (180deg=-0.458) USER MOD Single : A 56 ASN : amide:sc= 0.412 K(o=0.41,f=-2.5!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0218 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= 0.471 K(o=0.47,f=-4!) USER MOD Single : A 76 SER OG : rot 136:sc= 0.0158 USER MOD Single : A 95 ASN : amide:sc= 0.00982 X(o=0.0098,f=0) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0.286 K(o=0.29,f=-0.24) USER MOD Single : A 122 MET CE :methyl 153:sc= -2.84! (180deg=-5!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot -120:sc= -0.251 USER MOD Single : A 129 GLN : amide:sc= 0.00818 X(o=0.0082,f=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.967 -15.407 21.273 1.00 11.00 N ATOM 2 CA MET A 1 24.922 -14.583 20.061 1.00 43.05 C ATOM 3 C MET A 1 23.531 -14.018 19.871 1.00 72.21 C ATOM 4 O MET A 1 22.628 -14.690 19.338 1.00 4.54 O ATOM 5 CB MET A 1 25.357 -15.377 18.818 1.00 43.11 C ATOM 6 CG MET A 1 26.796 -15.860 18.870 1.00 73.02 C ATOM 7 SD MET A 1 27.970 -14.500 19.057 1.00 3.44 S ATOM 8 CE MET A 1 29.521 -15.403 19.120 1.00 25.22 C ATOM 0 H1 MET A 1 25.944 -15.722 21.443 1.00 11.00 H new ATOM 0 H2 MET A 1 24.637 -14.848 22.085 1.00 11.00 H new ATOM 0 H3 MET A 1 24.352 -16.237 21.152 1.00 11.00 H new ATOM 0 HA MET A 1 25.628 -13.762 20.186 1.00 43.05 H new ATOM 0 HB2 MET A 1 24.699 -16.238 18.700 1.00 43.11 H new ATOM 0 HB3 MET A 1 25.225 -14.752 17.935 1.00 43.11 H new ATOM 0 HG2 MET A 1 26.914 -16.555 19.701 1.00 73.02 H new ATOM 0 HG3 MET A 1 27.025 -16.412 17.958 1.00 73.02 H new ATOM 0 HE1 MET A 1 30.347 -14.701 19.234 1.00 25.22 H new ATOM 0 HE2 MET A 1 29.508 -16.089 19.967 1.00 25.22 H new ATOM 0 HE3 MET A 1 29.651 -15.968 18.197 1.00 25.22 H new ATOM 20 N SER A 2 23.338 -12.821 20.365 1.00 12.12 N ATOM 21 CA SER A 2 22.071 -12.146 20.293 1.00 25.13 C ATOM 22 C SER A 2 22.270 -10.745 19.706 1.00 41.42 C ATOM 23 O SER A 2 23.406 -10.326 19.455 1.00 72.23 O ATOM 24 CB SER A 2 21.484 -12.026 21.701 1.00 52.45 C ATOM 25 OG SER A 2 21.337 -13.297 22.329 1.00 0.43 O ATOM 0 H SER A 2 24.067 -12.283 20.834 1.00 12.12 H new ATOM 0 HA SER A 2 21.391 -12.713 19.657 1.00 25.13 H new ATOM 0 HB2 SER A 2 22.130 -11.393 22.310 1.00 52.45 H new ATOM 0 HB3 SER A 2 20.513 -11.533 21.648 1.00 52.45 H new ATOM 0 HG SER A 2 20.961 -13.177 23.226 1.00 0.43 H new ATOM 31 N ASP A 3 21.178 -10.044 19.482 1.00 4.04 N ATOM 32 CA ASP A 3 21.218 -8.668 19.006 1.00 55.00 C ATOM 33 C ASP A 3 21.427 -7.745 20.187 1.00 52.44 C ATOM 34 O ASP A 3 21.212 -8.144 21.350 1.00 62.41 O ATOM 35 CB ASP A 3 19.915 -8.271 18.264 1.00 14.33 C ATOM 36 CG ASP A 3 18.666 -8.303 19.142 1.00 15.33 C ATOM 37 OD1 ASP A 3 18.032 -9.379 19.252 1.00 1.22 O ATOM 38 OD2 ASP A 3 18.280 -7.265 19.721 1.00 13.11 O ATOM 0 H ASP A 3 20.236 -10.408 19.623 1.00 4.04 H new ATOM 0 HA ASP A 3 22.041 -8.579 18.297 1.00 55.00 H new ATOM 0 HB2 ASP A 3 20.033 -7.268 17.855 1.00 14.33 H new ATOM 0 HB3 ASP A 3 19.770 -8.945 17.419 1.00 14.33 H new ATOM 43 N ASN A 4 21.857 -6.548 19.923 1.00 64.23 N ATOM 44 CA ASN A 4 22.076 -5.589 20.979 1.00 4.43 C ATOM 45 C ASN A 4 21.075 -4.479 20.832 1.00 12.05 C ATOM 46 O ASN A 4 20.612 -4.192 19.723 1.00 12.21 O ATOM 47 CB ASN A 4 23.509 -4.987 20.936 1.00 10.23 C ATOM 48 CG ASN A 4 23.683 -3.838 19.921 1.00 32.43 C ATOM 49 OD1 ASN A 4 23.491 -2.658 20.256 1.00 35.22 O ATOM 50 ND2 ASN A 4 24.041 -4.157 18.703 1.00 21.04 N ATOM 0 H ASN A 4 22.065 -6.206 18.985 1.00 64.23 H new ATOM 0 HA ASN A 4 21.961 -6.103 21.933 1.00 4.43 H new ATOM 0 HB2 ASN A 4 23.767 -4.621 21.930 1.00 10.23 H new ATOM 0 HB3 ASN A 4 24.217 -5.780 20.695 1.00 10.23 H new ATOM 0 HD21 ASN A 4 24.169 -3.428 18.002 1.00 21.04 H new ATOM 0 HD22 ASN A 4 24.192 -5.135 18.455 1.00 21.04 H new ATOM 57 N ASN A 5 20.726 -3.880 21.923 1.00 53.23 N ATOM 58 CA ASN A 5 19.877 -2.717 21.899 1.00 12.51 C ATOM 59 C ASN A 5 20.656 -1.598 22.570 1.00 2.22 C ATOM 60 O ASN A 5 20.119 -0.556 22.964 1.00 2.43 O ATOM 61 CB ASN A 5 18.537 -2.989 22.608 1.00 14.15 C ATOM 62 CG ASN A 5 17.480 -1.931 22.290 1.00 13.01 C ATOM 63 OD1 ASN A 5 17.334 -0.928 22.997 1.00 20.30 O ATOM 64 ND2 ASN A 5 16.743 -2.145 21.225 1.00 30.12 N ATOM 0 H ASN A 5 21.015 -4.175 22.856 1.00 53.23 H new ATOM 0 HA ASN A 5 19.619 -2.441 20.877 1.00 12.51 H new ATOM 0 HB2 ASN A 5 18.165 -3.970 22.311 1.00 14.15 H new ATOM 0 HB3 ASN A 5 18.700 -3.023 23.685 1.00 14.15 H new ATOM 0 HD21 ASN A 5 16.024 -1.473 20.959 1.00 30.12 H new ATOM 0 HD22 ASN A 5 16.890 -2.984 20.663 1.00 30.12 H new ATOM 71 N GLY A 6 21.967 -1.837 22.680 1.00 43.33 N ATOM 72 CA GLY A 6 22.876 -0.876 23.243 1.00 15.13 C ATOM 73 C GLY A 6 22.971 0.318 22.349 1.00 10.31 C ATOM 74 O GLY A 6 23.097 1.447 22.809 1.00 71.34 O ATOM 0 H GLY A 6 22.411 -2.704 22.378 1.00 43.33 H new ATOM 0 HA2 GLY A 6 22.533 -0.574 24.233 1.00 15.13 H new ATOM 0 HA3 GLY A 6 23.861 -1.325 23.370 1.00 15.13 H new ATOM 78 N THR A 7 22.917 0.074 21.073 1.00 22.00 N ATOM 79 CA THR A 7 22.845 1.136 20.142 1.00 2.01 C ATOM 80 C THR A 7 21.456 1.141 19.513 1.00 42.43 C ATOM 81 O THR A 7 21.114 0.237 18.740 1.00 41.04 O ATOM 82 CB THR A 7 23.898 0.961 19.039 1.00 35.35 C ATOM 83 OG1 THR A 7 25.192 0.840 19.640 1.00 63.22 O ATOM 84 CG2 THR A 7 23.898 2.152 18.084 1.00 52.52 C ATOM 0 H THR A 7 22.922 -0.859 20.662 1.00 22.00 H new ATOM 0 HA THR A 7 23.035 2.077 20.658 1.00 2.01 H new ATOM 0 HB THR A 7 23.657 0.063 18.470 1.00 35.35 H new ATOM 0 HG1 THR A 7 25.868 0.726 18.940 1.00 63.22 H new ATOM 0 HG21 THR A 7 24.654 2.000 17.313 1.00 52.52 H new ATOM 0 HG22 THR A 7 22.917 2.244 17.617 1.00 52.52 H new ATOM 0 HG23 THR A 7 24.123 3.063 18.639 1.00 52.52 H new ATOM 92 N PRO A 8 20.611 2.099 19.882 1.00 53.24 N ATOM 93 CA PRO A 8 19.341 2.286 19.230 1.00 62.43 C ATOM 94 C PRO A 8 19.571 3.046 17.937 1.00 73.35 C ATOM 95 O PRO A 8 20.524 3.845 17.848 1.00 51.54 O ATOM 96 CB PRO A 8 18.546 3.136 20.225 1.00 41.10 C ATOM 97 CG PRO A 8 19.576 3.921 20.964 1.00 14.55 C ATOM 98 CD PRO A 8 20.833 3.087 20.969 1.00 41.50 C ATOM 0 HA PRO A 8 18.826 1.359 18.979 1.00 62.43 H new ATOM 0 HB2 PRO A 8 17.842 3.791 19.712 1.00 41.10 H new ATOM 0 HB3 PRO A 8 17.964 2.511 20.902 1.00 41.10 H new ATOM 0 HG2 PRO A 8 19.751 4.882 20.481 1.00 14.55 H new ATOM 0 HG3 PRO A 8 19.247 4.131 21.982 1.00 14.55 H new ATOM 0 HD2 PRO A 8 21.717 3.696 20.781 1.00 41.50 H new ATOM 0 HD3 PRO A 8 20.983 2.596 21.931 1.00 41.50 H new ATOM 106 N GLU A 9 18.785 2.818 16.932 1.00 61.33 N ATOM 107 CA GLU A 9 18.972 3.600 15.759 1.00 53.41 C ATOM 108 C GLU A 9 17.778 4.496 15.514 1.00 43.11 C ATOM 109 O GLU A 9 16.651 4.024 15.291 1.00 32.02 O ATOM 110 CB GLU A 9 19.313 2.730 14.534 1.00 75.32 C ATOM 111 CG GLU A 9 18.304 1.645 14.205 1.00 10.03 C ATOM 112 CD GLU A 9 18.737 0.814 13.032 1.00 11.42 C ATOM 113 OE1 GLU A 9 19.581 -0.094 13.218 1.00 22.15 O ATOM 114 OE2 GLU A 9 18.251 1.037 11.899 1.00 30.04 O ATOM 0 H GLU A 9 18.037 2.125 16.900 1.00 61.33 H new ATOM 0 HA GLU A 9 19.836 4.245 15.922 1.00 53.41 H new ATOM 0 HB2 GLU A 9 19.418 3.380 13.666 1.00 75.32 H new ATOM 0 HB3 GLU A 9 20.283 2.262 14.701 1.00 75.32 H new ATOM 0 HG2 GLU A 9 18.166 1.002 15.074 1.00 10.03 H new ATOM 0 HG3 GLU A 9 17.338 2.101 13.990 1.00 10.03 H new ATOM 121 N PRO A 10 17.993 5.797 15.622 1.00 64.15 N ATOM 122 CA PRO A 10 17.025 6.773 15.264 1.00 64.50 C ATOM 123 C PRO A 10 17.404 7.435 13.944 1.00 42.23 C ATOM 124 O PRO A 10 18.482 7.178 13.371 1.00 62.42 O ATOM 125 CB PRO A 10 17.155 7.775 16.409 1.00 0.34 C ATOM 126 CG PRO A 10 18.616 7.745 16.771 1.00 42.41 C ATOM 127 CD PRO A 10 19.171 6.437 16.238 1.00 74.34 C ATOM 0 HA PRO A 10 16.020 6.374 15.129 1.00 64.50 H new ATOM 0 HB2 PRO A 10 16.843 8.773 16.101 1.00 0.34 H new ATOM 0 HB3 PRO A 10 16.530 7.493 17.256 1.00 0.34 H new ATOM 0 HG2 PRO A 10 19.140 8.595 16.334 1.00 42.41 H new ATOM 0 HG3 PRO A 10 18.748 7.810 17.851 1.00 42.41 H new ATOM 0 HD2 PRO A 10 19.965 6.603 15.510 1.00 74.34 H new ATOM 0 HD3 PRO A 10 19.592 5.824 17.035 1.00 74.34 H new ATOM 135 N GLN A 11 16.546 8.248 13.453 1.00 30.13 N ATOM 136 CA GLN A 11 16.819 9.001 12.269 1.00 43.01 C ATOM 137 C GLN A 11 16.523 10.451 12.544 1.00 13.30 C ATOM 138 O GLN A 11 15.874 10.778 13.542 1.00 43.25 O ATOM 139 CB GLN A 11 15.979 8.528 11.045 1.00 35.00 C ATOM 140 CG GLN A 11 16.390 7.191 10.386 1.00 40.14 C ATOM 141 CD GLN A 11 16.079 5.927 11.189 1.00 2.44 C ATOM 142 OE1 GLN A 11 15.011 5.938 11.945 1.00 2.32 O flip ATOM 143 NE2 GLN A 11 16.799 4.924 11.092 1.00 71.14 N flip ATOM 0 H GLN A 11 15.625 8.417 13.858 1.00 30.13 H new ATOM 0 HA GLN A 11 17.868 8.851 12.014 1.00 43.01 H new ATOM 0 HB2 GLN A 11 14.939 8.445 11.360 1.00 35.00 H new ATOM 0 HB3 GLN A 11 16.020 9.307 10.284 1.00 35.00 H new ATOM 0 HG2 GLN A 11 15.891 7.116 9.420 1.00 40.14 H new ATOM 0 HG3 GLN A 11 17.462 7.219 10.190 1.00 40.14 H new ATOM 0 HE21 GLN A 11 17.625 4.945 10.495 1.00 71.14 H new ATOM 0 HE22 GLN A 11 16.565 4.077 11.609 1.00 71.14 H new ATOM 152 N VAL A 12 16.972 11.299 11.681 1.00 44.12 N ATOM 153 CA VAL A 12 16.611 12.683 11.732 1.00 71.50 C ATOM 154 C VAL A 12 15.687 12.787 10.575 1.00 30.51 C ATOM 155 O VAL A 12 16.100 12.526 9.447 1.00 1.51 O ATOM 156 CB VAL A 12 17.843 13.604 11.521 1.00 52.33 C ATOM 157 CG1 VAL A 12 17.443 15.067 11.563 1.00 0.10 C ATOM 158 CG2 VAL A 12 18.913 13.319 12.567 1.00 52.33 C ATOM 0 H VAL A 12 17.602 11.055 10.917 1.00 44.12 H new ATOM 0 HA VAL A 12 16.186 12.988 12.688 1.00 71.50 H new ATOM 0 HB VAL A 12 18.255 13.391 10.534 1.00 52.33 H new ATOM 0 HG11 VAL A 12 18.325 15.690 11.413 1.00 0.10 H new ATOM 0 HG12 VAL A 12 16.718 15.269 10.775 1.00 0.10 H new ATOM 0 HG13 VAL A 12 16.999 15.295 12.532 1.00 0.10 H new ATOM 0 HG21 VAL A 12 19.768 13.975 12.401 1.00 52.33 H new ATOM 0 HG22 VAL A 12 18.506 13.498 13.562 1.00 52.33 H new ATOM 0 HG23 VAL A 12 19.232 12.280 12.487 1.00 52.33 H new ATOM 168 N GLU A 13 14.477 13.167 10.826 1.00 21.10 N ATOM 169 CA GLU A 13 13.441 12.925 9.879 1.00 72.52 C ATOM 170 C GLU A 13 12.703 14.190 9.465 1.00 43.32 C ATOM 171 O GLU A 13 12.721 15.194 10.170 1.00 72.12 O ATOM 172 CB GLU A 13 12.515 11.853 10.504 1.00 4.14 C ATOM 173 CG GLU A 13 11.439 11.310 9.605 1.00 72.12 C ATOM 174 CD GLU A 13 11.965 11.024 8.255 1.00 54.22 C ATOM 175 OE1 GLU A 13 12.925 10.267 8.123 1.00 71.42 O ATOM 176 OE2 GLU A 13 11.473 11.636 7.305 1.00 21.40 O ATOM 0 H GLU A 13 14.183 13.645 11.677 1.00 21.10 H new ATOM 0 HA GLU A 13 13.860 12.561 8.941 1.00 72.52 H new ATOM 0 HB2 GLU A 13 13.132 11.021 10.844 1.00 4.14 H new ATOM 0 HB3 GLU A 13 12.042 12.280 11.388 1.00 4.14 H new ATOM 0 HG2 GLU A 13 11.026 10.399 10.038 1.00 72.12 H new ATOM 0 HG3 GLU A 13 10.623 12.029 9.535 1.00 72.12 H new ATOM 183 N THR A 14 12.101 14.142 8.288 1.00 71.31 N ATOM 184 CA THR A 14 11.344 15.218 7.769 1.00 10.45 C ATOM 185 C THR A 14 9.984 14.703 7.272 1.00 42.14 C ATOM 186 O THR A 14 9.878 14.024 6.241 1.00 10.23 O ATOM 187 CB THR A 14 12.086 15.879 6.596 1.00 52.53 C ATOM 188 OG1 THR A 14 13.443 16.173 6.987 1.00 63.42 O ATOM 189 CG2 THR A 14 11.394 17.172 6.175 1.00 72.41 C ATOM 0 H THR A 14 12.139 13.330 7.672 1.00 71.31 H new ATOM 0 HA THR A 14 11.198 15.952 8.562 1.00 10.45 H new ATOM 0 HB THR A 14 12.081 15.188 5.753 1.00 52.53 H new ATOM 0 HG1 THR A 14 13.916 16.593 6.238 1.00 63.42 H new ATOM 0 HG21 THR A 14 11.937 17.621 5.344 1.00 72.41 H new ATOM 0 HG22 THR A 14 10.372 16.953 5.865 1.00 72.41 H new ATOM 0 HG23 THR A 14 11.378 17.866 7.015 1.00 72.41 H new HETATM 197 N TPO A 15 8.994 15.023 8.008 1.00 74.51 N HETATM 198 CA TPO A 15 7.603 14.766 7.649 1.00 30.04 C HETATM 199 CB TPO A 15 6.876 13.847 8.660 1.00 43.24 C HETATM 200 CG2 TPO A 15 5.673 13.179 8.010 1.00 33.44 C HETATM 201 OG1 TPO A 15 7.719 12.786 9.129 1.00 13.01 O HETATM 202 P TPO A 15 8.152 12.645 10.682 1.00 41.54 P HETATM 203 O1P TPO A 15 9.320 13.570 10.980 1.00 34.30 O HETATM 204 O2P TPO A 15 8.595 11.225 11.011 1.00 3.31 O HETATM 205 O3P TPO A 15 6.961 13.039 11.588 1.00 64.21 O HETATM 206 C TPO A 15 6.873 16.103 7.690 1.00 42.43 C HETATM 207 O TPO A 15 7.098 16.893 8.614 1.00 64.11 O HETATM 0 HG23 TPO A 15 4.976 13.942 7.663 1.00 33.44 H new HETATM 0 HG22 TPO A 15 6.004 12.578 7.163 1.00 33.44 H new HETATM 0 HG21 TPO A 15 5.176 12.537 8.738 1.00 33.44 H new HETATM 0 HB TPO A 15 6.582 14.491 9.489 1.00 43.24 H new HETATM 0 HA TPO A 15 7.598 14.281 6.673 1.00 30.04 H new ATOM 214 N SER A 16 6.038 16.369 6.728 1.00 32.25 N ATOM 215 CA SER A 16 5.284 17.593 6.711 1.00 73.15 C ATOM 216 C SER A 16 3.839 17.303 7.087 1.00 34.43 C ATOM 217 O SER A 16 3.392 16.179 6.961 1.00 13.15 O ATOM 218 CB SER A 16 5.374 18.216 5.344 1.00 51.20 C ATOM 219 OG SER A 16 6.738 18.467 4.990 1.00 1.34 O ATOM 0 H SER A 16 5.860 15.750 5.937 1.00 32.25 H new ATOM 0 HA SER A 16 5.693 18.295 7.437 1.00 73.15 H new ATOM 0 HB2 SER A 16 4.918 17.555 4.607 1.00 51.20 H new ATOM 0 HB3 SER A 16 4.811 19.149 5.327 1.00 51.20 H new ATOM 0 HG SER A 16 7.164 17.628 4.715 1.00 1.34 H new ATOM 225 N VAL A 17 3.165 18.280 7.652 1.00 14.43 N ATOM 226 CA VAL A 17 1.776 18.128 8.051 1.00 42.20 C ATOM 227 C VAL A 17 0.869 19.031 7.209 1.00 62.13 C ATOM 228 O VAL A 17 1.028 20.262 7.241 1.00 1.33 O ATOM 229 CB VAL A 17 1.598 18.499 9.553 1.00 60.24 C ATOM 230 CG1 VAL A 17 0.143 18.395 9.994 1.00 51.02 C ATOM 231 CG2 VAL A 17 2.490 17.642 10.435 1.00 23.02 C ATOM 0 H VAL A 17 3.559 19.200 7.849 1.00 14.43 H new ATOM 0 HA VAL A 17 1.497 17.086 7.894 1.00 42.20 H new ATOM 0 HB VAL A 17 1.901 19.540 9.666 1.00 60.24 H new ATOM 0 HG11 VAL A 17 0.062 18.662 11.048 1.00 51.02 H new ATOM 0 HG12 VAL A 17 -0.467 19.075 9.400 1.00 51.02 H new ATOM 0 HG13 VAL A 17 -0.209 17.373 9.851 1.00 51.02 H new ATOM 0 HG21 VAL A 17 2.346 17.922 11.479 1.00 23.02 H new ATOM 0 HG22 VAL A 17 2.232 16.591 10.302 1.00 23.02 H new ATOM 0 HG23 VAL A 17 3.533 17.797 10.158 1.00 23.02 H new ATOM 241 N PHE A 18 -0.036 18.465 6.451 1.00 62.43 N ATOM 242 CA PHE A 18 -1.028 19.274 5.780 1.00 33.43 C ATOM 243 C PHE A 18 -2.421 18.805 6.181 1.00 72.43 C ATOM 244 O PHE A 18 -2.723 17.619 6.145 1.00 55.14 O ATOM 245 CB PHE A 18 -0.850 19.311 4.225 1.00 64.43 C ATOM 246 CG PHE A 18 -1.111 18.014 3.489 1.00 12.35 C ATOM 247 CD1 PHE A 18 -2.386 17.702 3.043 1.00 41.42 C ATOM 248 CD2 PHE A 18 -0.094 17.123 3.241 1.00 44.32 C ATOM 249 CE1 PHE A 18 -2.637 16.527 2.374 1.00 64.42 C ATOM 250 CE2 PHE A 18 -0.338 15.944 2.572 1.00 52.53 C ATOM 251 CZ PHE A 18 -1.612 15.645 2.140 1.00 21.40 C ATOM 0 H PHE A 18 -0.109 17.462 6.283 1.00 62.43 H new ATOM 0 HA PHE A 18 -0.888 20.305 6.105 1.00 33.43 H new ATOM 0 HB2 PHE A 18 -1.517 20.073 3.822 1.00 64.43 H new ATOM 0 HB3 PHE A 18 0.169 19.630 4.005 1.00 64.43 H new ATOM 0 HD1 PHE A 18 -3.196 18.393 3.224 1.00 41.42 H new ATOM 0 HD2 PHE A 18 0.908 17.350 3.575 1.00 44.32 H new ATOM 0 HE1 PHE A 18 -3.637 16.299 2.034 1.00 64.42 H new ATOM 0 HE2 PHE A 18 0.471 15.253 2.386 1.00 52.53 H new ATOM 0 HZ PHE A 18 -1.803 14.719 1.619 1.00 21.40 H new ATOM 261 N ARG A 19 -3.241 19.706 6.633 1.00 41.30 N ATOM 262 CA ARG A 19 -4.602 19.360 6.970 1.00 52.02 C ATOM 263 C ARG A 19 -5.503 19.932 5.906 1.00 23.22 C ATOM 264 O ARG A 19 -5.888 21.102 5.953 1.00 22.35 O ATOM 265 CB ARG A 19 -4.978 19.849 8.379 1.00 71.25 C ATOM 266 CG ARG A 19 -4.049 19.307 9.459 1.00 43.41 C ATOM 267 CD ARG A 19 -4.463 19.721 10.858 1.00 61.30 C ATOM 268 NE ARG A 19 -5.752 19.145 11.265 1.00 43.03 N ATOM 269 CZ ARG A 19 -5.938 18.373 12.354 1.00 51.24 C ATOM 270 NH1 ARG A 19 -4.899 18.030 13.129 1.00 54.23 N ATOM 271 NH2 ARG A 19 -7.160 17.945 12.655 1.00 53.35 N ATOM 0 H ARG A 19 -2.998 20.686 6.779 1.00 41.30 H new ATOM 0 HA ARG A 19 -4.718 18.276 6.997 1.00 52.02 H new ATOM 0 HB2 ARG A 19 -4.954 20.939 8.399 1.00 71.25 H new ATOM 0 HB3 ARG A 19 -6.002 19.548 8.602 1.00 71.25 H new ATOM 0 HG2 ARG A 19 -4.027 18.219 9.399 1.00 43.41 H new ATOM 0 HG3 ARG A 19 -3.035 19.657 9.267 1.00 43.41 H new ATOM 0 HD2 ARG A 19 -3.693 19.413 11.566 1.00 61.30 H new ATOM 0 HD3 ARG A 19 -4.525 20.808 10.907 1.00 61.30 H new ATOM 0 HE ARG A 19 -6.565 19.344 10.681 1.00 43.03 H new ATOM 0 HH11 ARG A 19 -3.960 18.354 12.896 1.00 54.23 H new ATOM 0 HH12 ARG A 19 -5.047 17.445 13.952 1.00 54.23 H new ATOM 0 HH21 ARG A 19 -7.950 18.201 12.063 1.00 53.35 H new ATOM 0 HH22 ARG A 19 -7.307 17.360 13.478 1.00 53.35 H new ATOM 285 N ALA A 20 -5.771 19.128 4.912 1.00 54.42 N ATOM 286 CA ALA A 20 -6.496 19.571 3.742 1.00 53.02 C ATOM 287 C ALA A 20 -7.875 18.898 3.624 1.00 51.50 C ATOM 288 O ALA A 20 -8.435 18.420 4.620 1.00 63.00 O ATOM 289 CB ALA A 20 -5.634 19.319 2.508 1.00 22.32 C ATOM 0 H ALA A 20 -5.495 18.146 4.887 1.00 54.42 H new ATOM 0 HA ALA A 20 -6.696 20.639 3.831 1.00 53.02 H new ATOM 0 HB1 ALA A 20 -6.169 19.649 1.617 1.00 22.32 H new ATOM 0 HB2 ALA A 20 -4.700 19.874 2.597 1.00 22.32 H new ATOM 0 HB3 ALA A 20 -5.417 18.254 2.427 1.00 22.32 H new ATOM 295 N ASP A 21 -8.379 18.823 2.387 1.00 43.24 N ATOM 296 CA ASP A 21 -9.743 18.358 2.043 1.00 13.40 C ATOM 297 C ASP A 21 -9.939 16.852 2.352 1.00 53.33 C ATOM 298 O ASP A 21 -11.036 16.312 2.228 1.00 73.21 O ATOM 299 CB ASP A 21 -10.004 18.666 0.546 1.00 14.31 C ATOM 300 CG ASP A 21 -11.458 18.546 0.102 1.00 4.43 C ATOM 301 OD1 ASP A 21 -12.244 19.499 0.333 1.00 32.40 O ATOM 302 OD2 ASP A 21 -11.828 17.550 -0.537 1.00 25.20 O ATOM 0 H ASP A 21 -7.837 19.091 1.565 1.00 43.24 H new ATOM 0 HA ASP A 21 -10.467 18.889 2.661 1.00 13.40 H new ATOM 0 HB2 ASP A 21 -9.659 19.678 0.334 1.00 14.31 H new ATOM 0 HB3 ASP A 21 -9.399 17.990 -0.058 1.00 14.31 H new ATOM 307 N LEU A 22 -8.870 16.205 2.801 1.00 45.24 N ATOM 308 CA LEU A 22 -8.873 14.800 3.213 1.00 1.24 C ATOM 309 C LEU A 22 -9.893 14.538 4.342 1.00 61.10 C ATOM 310 O LEU A 22 -10.403 13.425 4.491 1.00 74.53 O ATOM 311 CB LEU A 22 -7.430 14.347 3.599 1.00 11.21 C ATOM 312 CG LEU A 22 -6.703 15.102 4.746 1.00 60.52 C ATOM 313 CD1 LEU A 22 -7.180 14.662 6.131 1.00 13.44 C ATOM 314 CD2 LEU A 22 -5.200 14.940 4.626 1.00 51.20 C ATOM 0 H LEU A 22 -7.956 16.649 2.892 1.00 45.24 H new ATOM 0 HA LEU A 22 -9.196 14.193 2.367 1.00 1.24 H new ATOM 0 HB2 LEU A 22 -7.474 13.292 3.871 1.00 11.21 H new ATOM 0 HB3 LEU A 22 -6.809 14.420 2.706 1.00 11.21 H new ATOM 0 HG LEU A 22 -6.956 16.157 4.640 1.00 60.52 H new ATOM 0 HD11 LEU A 22 -6.640 15.220 6.896 1.00 13.44 H new ATOM 0 HD12 LEU A 22 -8.248 14.856 6.226 1.00 13.44 H new ATOM 0 HD13 LEU A 22 -6.992 13.596 6.259 1.00 13.44 H new ATOM 0 HD21 LEU A 22 -4.710 15.476 5.439 1.00 51.20 H new ATOM 0 HD22 LEU A 22 -4.942 13.882 4.682 1.00 51.20 H new ATOM 0 HD23 LEU A 22 -4.866 15.345 3.671 1.00 51.20 H new ATOM 326 N LEU A 23 -10.213 15.583 5.110 1.00 4.45 N ATOM 327 CA LEU A 23 -11.194 15.487 6.168 1.00 41.54 C ATOM 328 C LEU A 23 -12.603 15.252 5.603 1.00 74.22 C ATOM 329 O LEU A 23 -13.466 14.669 6.259 1.00 44.35 O ATOM 330 CB LEU A 23 -11.103 16.721 7.112 1.00 31.43 C ATOM 331 CG LEU A 23 -11.121 18.151 6.488 1.00 12.03 C ATOM 332 CD1 LEU A 23 -12.485 18.539 5.928 1.00 35.04 C ATOM 333 CD2 LEU A 23 -10.655 19.182 7.505 1.00 23.44 C ATOM 0 H LEU A 23 -9.797 16.509 5.009 1.00 4.45 H new ATOM 0 HA LEU A 23 -10.971 14.612 6.779 1.00 41.54 H new ATOM 0 HB2 LEU A 23 -11.932 16.659 7.817 1.00 31.43 H new ATOM 0 HB3 LEU A 23 -10.185 16.626 7.691 1.00 31.43 H new ATOM 0 HG LEU A 23 -10.429 18.132 5.646 1.00 12.03 H new ATOM 0 HD11 LEU A 23 -12.434 19.544 5.508 1.00 35.04 H new ATOM 0 HD12 LEU A 23 -12.772 17.834 5.148 1.00 35.04 H new ATOM 0 HD13 LEU A 23 -13.226 18.517 6.727 1.00 35.04 H new ATOM 0 HD21 LEU A 23 -10.674 20.174 7.053 1.00 23.44 H new ATOM 0 HD22 LEU A 23 -11.318 19.165 8.370 1.00 23.44 H new ATOM 0 HD23 LEU A 23 -9.639 18.947 7.822 1.00 23.44 H new ATOM 345 N LYS A 24 -12.794 15.663 4.362 1.00 2.35 N ATOM 346 CA LYS A 24 -14.051 15.509 3.665 1.00 75.11 C ATOM 347 C LYS A 24 -14.063 14.155 2.965 1.00 75.32 C ATOM 348 O LYS A 24 -15.115 13.530 2.804 1.00 70.30 O ATOM 349 CB LYS A 24 -14.200 16.629 2.643 1.00 25.12 C ATOM 350 CG LYS A 24 -15.503 16.622 1.851 1.00 0.43 C ATOM 351 CD LYS A 24 -15.445 17.640 0.727 1.00 32.21 C ATOM 352 CE LYS A 24 -15.330 19.063 1.237 1.00 44.43 C ATOM 353 NZ LYS A 24 -14.945 19.975 0.157 1.00 33.35 N ATOM 0 H LYS A 24 -12.070 16.118 3.806 1.00 2.35 H new ATOM 0 HA LYS A 24 -14.881 15.560 4.369 1.00 75.11 H new ATOM 0 HB2 LYS A 24 -14.114 17.584 3.161 1.00 25.12 H new ATOM 0 HB3 LYS A 24 -13.368 16.571 1.941 1.00 25.12 H new ATOM 0 HG2 LYS A 24 -15.681 15.628 1.441 1.00 0.43 H new ATOM 0 HG3 LYS A 24 -16.339 16.849 2.512 1.00 0.43 H new ATOM 0 HD2 LYS A 24 -14.593 17.418 0.084 1.00 32.21 H new ATOM 0 HD3 LYS A 24 -16.341 17.549 0.112 1.00 32.21 H new ATOM 0 HE2 LYS A 24 -16.282 19.379 1.663 1.00 44.43 H new ATOM 0 HE3 LYS A 24 -14.592 19.108 2.037 1.00 44.43 H new ATOM 0 HZ1 LYS A 24 -15.195 20.950 0.420 1.00 33.35 H new ATOM 0 HZ2 LYS A 24 -13.919 19.911 -0.002 1.00 33.35 H new ATOM 0 HZ3 LYS A 24 -15.447 19.712 -0.715 1.00 33.35 H new ATOM 367 N GLU A 25 -12.877 13.688 2.579 1.00 14.10 N ATOM 368 CA GLU A 25 -12.716 12.392 1.932 1.00 42.13 C ATOM 369 C GLU A 25 -13.285 11.281 2.800 1.00 34.41 C ATOM 370 O GLU A 25 -14.055 10.446 2.331 1.00 35.14 O ATOM 371 CB GLU A 25 -11.242 12.119 1.605 1.00 14.34 C ATOM 372 CG GLU A 25 -10.663 13.026 0.530 1.00 21.30 C ATOM 373 CD GLU A 25 -11.335 12.830 -0.807 1.00 33.24 C ATOM 374 OE1 GLU A 25 -10.968 11.875 -1.542 1.00 41.05 O ATOM 375 OE2 GLU A 25 -12.255 13.591 -1.141 1.00 42.42 O ATOM 0 H GLU A 25 -12.003 14.198 2.707 1.00 14.10 H new ATOM 0 HA GLU A 25 -13.272 12.415 0.995 1.00 42.13 H new ATOM 0 HB2 GLU A 25 -10.653 12.231 2.515 1.00 14.34 H new ATOM 0 HB3 GLU A 25 -11.139 11.082 1.284 1.00 14.34 H new ATOM 0 HG2 GLU A 25 -10.770 14.066 0.839 1.00 21.30 H new ATOM 0 HG3 GLU A 25 -9.595 12.831 0.430 1.00 21.30 H new ATOM 382 N MET A 26 -12.972 11.341 4.083 1.00 73.10 N ATOM 383 CA MET A 26 -13.436 10.338 5.046 1.00 44.44 C ATOM 384 C MET A 26 -14.851 10.656 5.555 1.00 50.23 C ATOM 385 O MET A 26 -15.390 9.960 6.423 1.00 44.13 O ATOM 386 CB MET A 26 -12.454 10.227 6.214 1.00 23.40 C ATOM 387 CG MET A 26 -12.363 11.472 7.093 1.00 12.34 C ATOM 388 SD MET A 26 -10.988 11.394 8.254 1.00 63.04 S ATOM 389 CE MET A 26 -9.615 11.396 7.101 1.00 21.53 C ATOM 0 H MET A 26 -12.395 12.076 4.491 1.00 73.10 H new ATOM 0 HA MET A 26 -13.480 9.378 4.533 1.00 44.44 H new ATOM 0 HB2 MET A 26 -12.745 9.380 6.836 1.00 23.40 H new ATOM 0 HB3 MET A 26 -11.463 10.006 5.818 1.00 23.40 H new ATOM 0 HG2 MET A 26 -12.251 12.353 6.460 1.00 12.34 H new ATOM 0 HG3 MET A 26 -13.295 11.592 7.645 1.00 12.34 H new ATOM 0 HE1 MET A 26 -9.126 10.422 7.116 1.00 21.53 H new ATOM 0 HE2 MET A 26 -9.984 11.602 6.096 1.00 21.53 H new ATOM 0 HE3 MET A 26 -8.899 12.166 7.389 1.00 21.53 H new ATOM 399 N GLU A 27 -15.436 11.705 5.030 1.00 30.11 N ATOM 400 CA GLU A 27 -16.789 12.068 5.373 1.00 22.10 C ATOM 401 C GLU A 27 -17.724 11.409 4.376 1.00 75.22 C ATOM 402 O GLU A 27 -18.672 10.714 4.758 1.00 31.43 O ATOM 403 CB GLU A 27 -16.966 13.595 5.354 1.00 63.14 C ATOM 404 CG GLU A 27 -18.358 14.080 5.740 1.00 33.34 C ATOM 405 CD GLU A 27 -18.685 13.894 7.208 1.00 62.44 C ATOM 406 OE1 GLU A 27 -18.814 12.740 7.676 1.00 34.11 O ATOM 407 OE2 GLU A 27 -18.858 14.905 7.914 1.00 12.32 O ATOM 0 H GLU A 27 -14.990 12.328 4.357 1.00 30.11 H new ATOM 0 HA GLU A 27 -17.019 11.726 6.382 1.00 22.10 H new ATOM 0 HB2 GLU A 27 -16.240 14.040 6.034 1.00 63.14 H new ATOM 0 HB3 GLU A 27 -16.733 13.962 4.354 1.00 63.14 H new ATOM 0 HG2 GLU A 27 -18.447 15.137 5.489 1.00 33.34 H new ATOM 0 HG3 GLU A 27 -19.097 13.547 5.142 1.00 33.34 H new ATOM 414 N SER A 28 -17.403 11.581 3.096 1.00 34.24 N ATOM 415 CA SER A 28 -18.189 11.036 2.007 1.00 15.43 C ATOM 416 C SER A 28 -18.261 9.500 2.061 1.00 40.40 C ATOM 417 O SER A 28 -19.336 8.917 1.878 1.00 51.44 O ATOM 418 CB SER A 28 -17.623 11.530 0.678 1.00 33.14 C ATOM 419 OG SER A 28 -17.587 12.959 0.661 1.00 2.22 O ATOM 0 H SER A 28 -16.584 12.107 2.790 1.00 34.24 H new ATOM 0 HA SER A 28 -19.215 11.390 2.107 1.00 15.43 H new ATOM 0 HB2 SER A 28 -16.619 11.131 0.530 1.00 33.14 H new ATOM 0 HB3 SER A 28 -18.236 11.164 -0.146 1.00 33.14 H new ATOM 0 HG SER A 28 -17.221 13.267 -0.194 1.00 2.22 H new ATOM 425 N SER A 29 -17.143 8.856 2.341 1.00 11.15 N ATOM 426 CA SER A 29 -17.121 7.418 2.461 1.00 50.34 C ATOM 427 C SER A 29 -17.698 6.990 3.809 1.00 11.31 C ATOM 428 O SER A 29 -18.339 5.935 3.921 1.00 1.10 O ATOM 429 CB SER A 29 -15.693 6.930 2.300 1.00 33.41 C ATOM 430 OG SER A 29 -14.832 7.685 3.134 1.00 40.04 O ATOM 0 H SER A 29 -16.241 9.309 2.489 1.00 11.15 H new ATOM 0 HA SER A 29 -17.738 6.973 1.680 1.00 50.34 H new ATOM 0 HB2 SER A 29 -15.629 5.873 2.557 1.00 33.41 H new ATOM 0 HB3 SER A 29 -15.382 7.024 1.260 1.00 33.41 H new ATOM 0 HG SER A 29 -14.559 8.502 2.668 1.00 40.04 H new ATOM 436 N THR A 30 -17.459 7.831 4.824 1.00 40.12 N ATOM 437 CA THR A 30 -17.910 7.637 6.201 1.00 1.03 C ATOM 438 C THR A 30 -17.078 6.550 6.913 1.00 2.31 C ATOM 439 O THR A 30 -16.473 6.803 7.948 1.00 63.03 O ATOM 440 CB THR A 30 -19.431 7.324 6.265 1.00 64.32 C ATOM 441 OG1 THR A 30 -20.155 8.337 5.519 1.00 61.40 O ATOM 442 CG2 THR A 30 -19.926 7.313 7.707 1.00 62.22 C ATOM 0 H THR A 30 -16.928 8.693 4.701 1.00 40.12 H new ATOM 0 HA THR A 30 -17.751 8.575 6.734 1.00 1.03 H new ATOM 0 HB THR A 30 -19.603 6.338 5.833 1.00 64.32 H new ATOM 0 HG1 THR A 30 -19.571 9.108 5.362 1.00 61.40 H new ATOM 0 HG21 THR A 30 -20.993 7.092 7.724 1.00 62.22 H new ATOM 0 HG22 THR A 30 -19.388 6.550 8.270 1.00 62.22 H new ATOM 0 HG23 THR A 30 -19.751 8.289 8.159 1.00 62.22 H new ATOM 450 N GLY A 31 -17.016 5.383 6.326 1.00 20.20 N ATOM 451 CA GLY A 31 -16.263 4.296 6.872 1.00 23.15 C ATOM 452 C GLY A 31 -15.688 3.467 5.766 1.00 20.42 C ATOM 453 O GLY A 31 -15.644 3.920 4.612 1.00 2.43 O ATOM 0 H GLY A 31 -17.491 5.164 5.450 1.00 20.20 H new ATOM 0 HA2 GLY A 31 -15.462 4.679 7.505 1.00 23.15 H new ATOM 0 HA3 GLY A 31 -16.903 3.681 7.504 1.00 23.15 H new ATOM 457 N THR A 32 -15.262 2.289 6.076 1.00 34.42 N ATOM 458 CA THR A 32 -14.681 1.404 5.106 1.00 71.33 C ATOM 459 C THR A 32 -15.674 0.301 4.732 1.00 31.43 C ATOM 460 O THR A 32 -16.415 -0.197 5.591 1.00 0.44 O ATOM 461 CB THR A 32 -13.377 0.804 5.680 1.00 24.33 C ATOM 462 OG1 THR A 32 -12.461 1.878 5.954 1.00 60.42 O ATOM 463 CG2 THR A 32 -12.729 -0.191 4.723 1.00 14.25 C ATOM 0 H THR A 32 -15.305 1.903 7.019 1.00 34.42 H new ATOM 0 HA THR A 32 -14.444 1.960 4.199 1.00 71.33 H new ATOM 0 HB THR A 32 -13.623 0.260 6.592 1.00 24.33 H new ATOM 0 HG1 THR A 32 -12.639 2.240 6.847 1.00 60.42 H new ATOM 0 HG21 THR A 32 -11.817 -0.585 5.171 1.00 14.25 H new ATOM 0 HG22 THR A 32 -13.420 -1.011 4.527 1.00 14.25 H new ATOM 0 HG23 THR A 32 -12.486 0.310 3.786 1.00 14.25 H new ATOM 471 N ALA A 33 -15.741 -0.013 3.462 1.00 35.12 N ATOM 472 CA ALA A 33 -16.572 -1.079 2.973 1.00 55.24 C ATOM 473 C ALA A 33 -15.739 -2.355 2.927 1.00 20.22 C ATOM 474 O ALA A 33 -14.691 -2.380 2.273 1.00 55.54 O ATOM 475 CB ALA A 33 -17.096 -0.740 1.584 1.00 61.24 C ATOM 0 H ALA A 33 -15.215 0.470 2.734 1.00 35.12 H new ATOM 0 HA ALA A 33 -17.428 -1.219 3.633 1.00 55.24 H new ATOM 0 HB1 ALA A 33 -17.724 -1.554 1.223 1.00 61.24 H new ATOM 0 HB2 ALA A 33 -17.683 0.178 1.630 1.00 61.24 H new ATOM 0 HB3 ALA A 33 -16.257 -0.600 0.903 1.00 61.24 H new ATOM 481 N PRO A 34 -16.160 -3.416 3.640 1.00 24.13 N ATOM 482 CA PRO A 34 -15.419 -4.687 3.697 1.00 71.14 C ATOM 483 C PRO A 34 -15.235 -5.335 2.322 1.00 22.12 C ATOM 484 O PRO A 34 -16.048 -5.130 1.388 1.00 44.14 O ATOM 485 CB PRO A 34 -16.294 -5.578 4.584 1.00 4.05 C ATOM 486 CG PRO A 34 -17.100 -4.624 5.385 1.00 60.14 C ATOM 487 CD PRO A 34 -17.375 -3.469 4.471 1.00 1.03 C ATOM 0 HA PRO A 34 -14.408 -4.537 4.076 1.00 71.14 H new ATOM 0 HB2 PRO A 34 -16.930 -6.231 3.987 1.00 4.05 H new ATOM 0 HB3 PRO A 34 -15.688 -6.220 5.223 1.00 4.05 H new ATOM 0 HG2 PRO A 34 -18.027 -5.084 5.727 1.00 60.14 H new ATOM 0 HG3 PRO A 34 -16.558 -4.301 6.274 1.00 60.14 H new ATOM 0 HD2 PRO A 34 -18.270 -3.632 3.870 1.00 1.03 H new ATOM 0 HD3 PRO A 34 -17.528 -2.542 5.024 1.00 1.03 H new ATOM 495 N ALA A 35 -14.177 -6.092 2.197 1.00 35.11 N ATOM 496 CA ALA A 35 -13.870 -6.791 0.977 1.00 20.15 C ATOM 497 C ALA A 35 -14.605 -8.118 0.966 1.00 33.50 C ATOM 498 O ALA A 35 -15.131 -8.544 2.003 1.00 55.40 O ATOM 499 CB ALA A 35 -12.369 -7.009 0.865 1.00 43.44 C ATOM 0 H ALA A 35 -13.499 -6.242 2.944 1.00 35.11 H new ATOM 0 HA ALA A 35 -14.192 -6.197 0.122 1.00 20.15 H new ATOM 0 HB1 ALA A 35 -12.146 -7.539 -0.061 1.00 43.44 H new ATOM 0 HB2 ALA A 35 -11.860 -6.045 0.863 1.00 43.44 H new ATOM 0 HB3 ALA A 35 -12.023 -7.600 1.713 1.00 43.44 H new ATOM 505 N SER A 36 -14.660 -8.760 -0.181 1.00 33.05 N ATOM 506 CA SER A 36 -15.321 -10.033 -0.287 1.00 22.24 C ATOM 507 C SER A 36 -14.591 -11.101 0.517 1.00 63.21 C ATOM 508 O SER A 36 -13.376 -11.322 0.345 1.00 42.00 O ATOM 509 CB SER A 36 -15.474 -10.444 -1.747 1.00 2.33 C ATOM 510 OG SER A 36 -16.238 -9.475 -2.455 1.00 13.02 O ATOM 0 H SER A 36 -14.253 -8.417 -1.051 1.00 33.05 H new ATOM 0 HA SER A 36 -16.320 -9.931 0.137 1.00 22.24 H new ATOM 0 HB2 SER A 36 -14.492 -10.549 -2.207 1.00 2.33 H new ATOM 0 HB3 SER A 36 -15.961 -11.417 -1.809 1.00 2.33 H new ATOM 0 HG SER A 36 -16.328 -9.750 -3.391 1.00 13.02 H new ATOM 516 N THR A 37 -15.327 -11.695 1.423 1.00 54.41 N ATOM 517 CA THR A 37 -14.876 -12.758 2.267 1.00 62.10 C ATOM 518 C THR A 37 -14.310 -13.906 1.408 1.00 70.14 C ATOM 519 O THR A 37 -14.919 -14.312 0.412 1.00 71.53 O ATOM 520 CB THR A 37 -16.082 -13.232 3.073 1.00 34.34 C ATOM 521 OG1 THR A 37 -16.754 -12.061 3.589 1.00 13.00 O ATOM 522 CG2 THR A 37 -15.655 -14.118 4.226 1.00 61.30 C ATOM 0 H THR A 37 -16.298 -11.435 1.595 1.00 54.41 H new ATOM 0 HA THR A 37 -14.081 -12.422 2.933 1.00 62.10 H new ATOM 0 HB THR A 37 -16.743 -13.815 2.431 1.00 34.34 H new ATOM 0 HG1 THR A 37 -17.536 -12.336 4.111 1.00 13.00 H new ATOM 0 HG21 THR A 37 -16.535 -14.441 4.782 1.00 61.30 H new ATOM 0 HG22 THR A 37 -15.130 -14.991 3.839 1.00 61.30 H new ATOM 0 HG23 THR A 37 -14.992 -13.560 4.887 1.00 61.30 H new ATOM 530 N GLY A 38 -13.168 -14.402 1.787 1.00 51.22 N ATOM 531 CA GLY A 38 -12.475 -15.388 1.012 1.00 33.12 C ATOM 532 C GLY A 38 -11.053 -14.948 0.829 1.00 71.44 C ATOM 533 O GLY A 38 -10.140 -15.758 0.706 1.00 22.12 O ATOM 0 H GLY A 38 -12.690 -14.132 2.646 1.00 51.22 H new ATOM 0 HA2 GLY A 38 -12.509 -16.355 1.514 1.00 33.12 H new ATOM 0 HA3 GLY A 38 -12.958 -15.515 0.043 1.00 33.12 H new ATOM 537 N ALA A 39 -10.863 -13.641 0.845 1.00 33.15 N ATOM 538 CA ALA A 39 -9.540 -13.058 0.709 1.00 73.11 C ATOM 539 C ALA A 39 -8.734 -13.262 1.995 1.00 3.51 C ATOM 540 O ALA A 39 -7.526 -13.518 1.970 1.00 11.42 O ATOM 541 CB ALA A 39 -9.646 -11.583 0.358 1.00 74.15 C ATOM 0 H ALA A 39 -11.614 -12.959 0.952 1.00 33.15 H new ATOM 0 HA ALA A 39 -9.015 -13.562 -0.103 1.00 73.11 H new ATOM 0 HB1 ALA A 39 -8.646 -11.160 0.259 1.00 74.15 H new ATOM 0 HB2 ALA A 39 -10.182 -11.471 -0.584 1.00 74.15 H new ATOM 0 HB3 ALA A 39 -10.186 -11.059 1.147 1.00 74.15 H new ATOM 547 N GLU A 40 -9.438 -13.241 3.121 1.00 64.33 N ATOM 548 CA GLU A 40 -8.839 -13.405 4.453 1.00 34.32 C ATOM 549 C GLU A 40 -8.501 -14.855 4.767 1.00 53.11 C ATOM 550 O GLU A 40 -8.105 -15.205 5.873 1.00 2.12 O ATOM 551 CB GLU A 40 -9.704 -12.750 5.542 1.00 23.32 C ATOM 552 CG GLU A 40 -11.212 -12.876 5.347 1.00 31.24 C ATOM 553 CD GLU A 40 -11.709 -14.277 5.248 1.00 11.52 C ATOM 554 OE1 GLU A 40 -11.927 -14.923 6.290 1.00 71.50 O ATOM 555 OE2 GLU A 40 -11.903 -14.752 4.130 1.00 64.14 O ATOM 0 H GLU A 40 -10.449 -13.109 3.142 1.00 64.33 H new ATOM 0 HA GLU A 40 -7.886 -12.876 4.442 1.00 34.32 H new ATOM 0 HB2 GLU A 40 -9.442 -13.191 6.504 1.00 23.32 H new ATOM 0 HB3 GLU A 40 -9.449 -11.692 5.596 1.00 23.32 H new ATOM 0 HG2 GLU A 40 -11.715 -12.384 6.179 1.00 31.24 H new ATOM 0 HG3 GLU A 40 -11.494 -12.339 4.441 1.00 31.24 H new ATOM 562 N ASN A 41 -8.642 -15.666 3.771 1.00 1.13 N ATOM 563 CA ASN A 41 -8.249 -17.059 3.810 1.00 62.31 C ATOM 564 C ASN A 41 -6.757 -17.188 3.606 1.00 12.11 C ATOM 565 O ASN A 41 -6.174 -18.227 3.925 1.00 3.14 O ATOM 566 CB ASN A 41 -8.996 -17.881 2.752 1.00 2.32 C ATOM 567 CG ASN A 41 -10.178 -18.641 3.317 1.00 54.20 C ATOM 568 OD1 ASN A 41 -11.290 -18.124 3.402 1.00 11.40 O ATOM 569 ND2 ASN A 41 -9.952 -19.870 3.708 1.00 63.12 N ATOM 0 H ASN A 41 -9.044 -15.382 2.877 1.00 1.13 H new ATOM 0 HA ASN A 41 -8.513 -17.452 4.792 1.00 62.31 H new ATOM 0 HB2 ASN A 41 -9.343 -17.215 1.962 1.00 2.32 H new ATOM 0 HB3 ASN A 41 -8.304 -18.587 2.293 1.00 2.32 H new ATOM 0 HD21 ASN A 41 -10.711 -20.429 4.097 1.00 63.12 H new ATOM 0 HD22 ASN A 41 -9.017 -20.268 3.623 1.00 63.12 H new ATOM 576 N LEU A 42 -6.140 -16.105 3.091 1.00 25.44 N ATOM 577 CA LEU A 42 -4.683 -16.028 2.857 1.00 61.22 C ATOM 578 C LEU A 42 -4.143 -17.227 2.064 1.00 5.42 C ATOM 579 O LEU A 42 -3.411 -18.058 2.608 1.00 12.32 O ATOM 580 CB LEU A 42 -3.905 -15.844 4.180 1.00 71.01 C ATOM 581 CG LEU A 42 -3.694 -14.410 4.716 1.00 41.23 C ATOM 582 CD1 LEU A 42 -2.851 -13.587 3.756 1.00 54.12 C ATOM 583 CD2 LEU A 42 -5.013 -13.712 5.015 1.00 62.14 C ATOM 0 H LEU A 42 -6.640 -15.256 2.825 1.00 25.44 H new ATOM 0 HA LEU A 42 -4.521 -15.144 2.240 1.00 61.22 H new ATOM 0 HB2 LEU A 42 -4.423 -16.414 4.952 1.00 71.01 H new ATOM 0 HB3 LEU A 42 -2.923 -16.299 4.053 1.00 71.01 H new ATOM 0 HG LEU A 42 -3.154 -14.497 5.659 1.00 41.23 H new ATOM 0 HD11 LEU A 42 -2.718 -12.582 4.158 1.00 54.12 H new ATOM 0 HD12 LEU A 42 -1.877 -14.059 3.631 1.00 54.12 H new ATOM 0 HD13 LEU A 42 -3.353 -13.528 2.790 1.00 54.12 H new ATOM 0 HD21 LEU A 42 -4.816 -12.707 5.389 1.00 62.14 H new ATOM 0 HD22 LEU A 42 -5.607 -13.650 4.103 1.00 62.14 H new ATOM 0 HD23 LEU A 42 -5.562 -14.278 5.767 1.00 62.14 H new ATOM 595 N PRO A 43 -4.507 -17.336 0.767 1.00 61.01 N ATOM 596 CA PRO A 43 -4.126 -18.483 -0.066 1.00 51.51 C ATOM 597 C PRO A 43 -2.605 -18.624 -0.265 1.00 51.52 C ATOM 598 O PRO A 43 -2.020 -19.655 0.054 1.00 63.23 O ATOM 599 CB PRO A 43 -4.829 -18.210 -1.404 1.00 12.03 C ATOM 600 CG PRO A 43 -5.112 -16.744 -1.409 1.00 20.43 C ATOM 601 CD PRO A 43 -5.339 -16.361 0.016 1.00 74.14 C ATOM 0 HA PRO A 43 -4.419 -19.423 0.403 1.00 51.51 H new ATOM 0 HB2 PRO A 43 -4.196 -18.491 -2.245 1.00 12.03 H new ATOM 0 HB3 PRO A 43 -5.749 -18.788 -1.490 1.00 12.03 H new ATOM 0 HG2 PRO A 43 -4.277 -16.187 -1.834 1.00 20.43 H new ATOM 0 HG3 PRO A 43 -5.988 -16.518 -2.017 1.00 20.43 H new ATOM 0 HD2 PRO A 43 -5.030 -15.334 0.211 1.00 74.14 H new ATOM 0 HD3 PRO A 43 -6.391 -16.435 0.290 1.00 74.14 H new ATOM 609 N ALA A 44 -1.976 -17.593 -0.784 1.00 44.11 N ATOM 610 CA ALA A 44 -0.540 -17.643 -1.066 1.00 72.54 C ATOM 611 C ALA A 44 0.293 -17.342 0.167 1.00 43.20 C ATOM 612 O ALA A 44 1.444 -17.734 0.255 1.00 61.33 O ATOM 613 CB ALA A 44 -0.182 -16.675 -2.181 1.00 44.22 C ATOM 0 H ALA A 44 -2.425 -16.709 -1.022 1.00 44.11 H new ATOM 0 HA ALA A 44 -0.310 -18.660 -1.383 1.00 72.54 H new ATOM 0 HB1 ALA A 44 0.889 -16.726 -2.377 1.00 44.22 H new ATOM 0 HB2 ALA A 44 -0.729 -16.943 -3.085 1.00 44.22 H new ATOM 0 HB3 ALA A 44 -0.449 -15.661 -1.882 1.00 44.22 H new ATOM 619 N GLY A 45 -0.295 -16.646 1.115 1.00 24.24 N ATOM 620 CA GLY A 45 0.448 -16.246 2.304 1.00 53.53 C ATOM 621 C GLY A 45 1.080 -14.885 2.121 1.00 32.41 C ATOM 622 O GLY A 45 1.690 -14.330 3.034 1.00 4.52 O ATOM 0 H GLY A 45 -1.270 -16.346 1.094 1.00 24.24 H new ATOM 0 HA2 GLY A 45 -0.221 -16.227 3.165 1.00 53.53 H new ATOM 0 HA3 GLY A 45 1.222 -16.983 2.518 1.00 53.53 H new ATOM 626 N SER A 46 0.925 -14.357 0.938 1.00 22.23 N ATOM 627 CA SER A 46 1.417 -13.060 0.601 1.00 1.51 C ATOM 628 C SER A 46 0.221 -12.161 0.305 1.00 5.45 C ATOM 629 O SER A 46 -0.869 -12.659 -0.048 1.00 44.14 O ATOM 630 CB SER A 46 2.325 -13.168 -0.624 1.00 11.11 C ATOM 631 OG SER A 46 3.343 -14.141 -0.411 1.00 54.34 O ATOM 0 H SER A 46 0.444 -14.828 0.172 1.00 22.23 H new ATOM 0 HA SER A 46 1.996 -12.638 1.423 1.00 1.51 H new ATOM 0 HB2 SER A 46 1.734 -13.439 -1.499 1.00 11.11 H new ATOM 0 HB3 SER A 46 2.779 -12.199 -0.833 1.00 11.11 H new ATOM 0 HG SER A 46 3.913 -14.197 -1.206 1.00 54.34 H new ATOM 637 N ALA A 47 0.410 -10.880 0.428 1.00 33.30 N ATOM 638 CA ALA A 47 -0.646 -9.925 0.239 1.00 63.15 C ATOM 639 C ALA A 47 -0.115 -8.726 -0.513 1.00 41.25 C ATOM 640 O ALA A 47 1.108 -8.487 -0.532 1.00 24.25 O ATOM 641 CB ALA A 47 -1.232 -9.512 1.576 1.00 60.21 C ATOM 0 H ALA A 47 1.310 -10.463 0.665 1.00 33.30 H new ATOM 0 HA ALA A 47 -1.443 -10.381 -0.348 1.00 63.15 H new ATOM 0 HB1 ALA A 47 -2.031 -8.788 1.415 1.00 60.21 H new ATOM 0 HB2 ALA A 47 -1.634 -10.389 2.084 1.00 60.21 H new ATOM 0 HB3 ALA A 47 -0.453 -9.062 2.191 1.00 60.21 H new ATOM 647 N LEU A 48 -1.001 -8.014 -1.148 1.00 65.02 N ATOM 648 CA LEU A 48 -0.657 -6.880 -1.958 1.00 1.31 C ATOM 649 C LEU A 48 -1.585 -5.740 -1.638 1.00 20.24 C ATOM 650 O LEU A 48 -2.639 -5.948 -1.083 1.00 44.45 O ATOM 651 CB LEU A 48 -0.679 -7.238 -3.496 1.00 13.34 C ATOM 652 CG LEU A 48 -2.018 -7.675 -4.215 1.00 24.15 C ATOM 653 CD1 LEU A 48 -2.718 -8.847 -3.554 1.00 22.45 C ATOM 654 CD2 LEU A 48 -2.979 -6.510 -4.463 1.00 71.33 C ATOM 0 H LEU A 48 -2.002 -8.209 -1.117 1.00 65.02 H new ATOM 0 HA LEU A 48 0.364 -6.576 -1.727 1.00 1.31 H new ATOM 0 HB2 LEU A 48 -0.300 -6.367 -4.031 1.00 13.34 H new ATOM 0 HB3 LEU A 48 0.040 -8.043 -3.646 1.00 13.34 H new ATOM 0 HG LEU A 48 -1.692 -8.030 -5.193 1.00 24.15 H new ATOM 0 HD11 LEU A 48 -3.627 -9.086 -4.106 1.00 22.45 H new ATOM 0 HD12 LEU A 48 -2.056 -9.713 -3.553 1.00 22.45 H new ATOM 0 HD13 LEU A 48 -2.975 -8.586 -2.527 1.00 22.45 H new ATOM 0 HD21 LEU A 48 -3.877 -6.878 -4.959 1.00 71.33 H new ATOM 0 HD22 LEU A 48 -3.251 -6.054 -3.511 1.00 71.33 H new ATOM 0 HD23 LEU A 48 -2.494 -5.767 -5.096 1.00 71.33 H new ATOM 666 N LEU A 49 -1.205 -4.562 -1.959 1.00 31.31 N ATOM 667 CA LEU A 49 -2.081 -3.449 -1.771 1.00 31.45 C ATOM 668 C LEU A 49 -2.179 -2.661 -3.037 1.00 12.23 C ATOM 669 O LEU A 49 -1.193 -2.520 -3.775 1.00 4.40 O ATOM 670 CB LEU A 49 -1.738 -2.557 -0.548 1.00 14.51 C ATOM 671 CG LEU A 49 -0.352 -1.912 -0.468 1.00 53.33 C ATOM 672 CD1 LEU A 49 -0.377 -0.826 0.589 1.00 22.43 C ATOM 673 CD2 LEU A 49 0.700 -2.942 -0.087 1.00 13.25 C ATOM 0 H LEU A 49 -0.293 -4.333 -2.355 1.00 31.31 H new ATOM 0 HA LEU A 49 -3.061 -3.861 -1.528 1.00 31.45 H new ATOM 0 HB2 LEU A 49 -2.477 -1.757 -0.506 1.00 14.51 H new ATOM 0 HB3 LEU A 49 -1.872 -3.162 0.349 1.00 14.51 H new ATOM 0 HG LEU A 49 -0.101 -1.496 -1.444 1.00 53.33 H new ATOM 0 HD11 LEU A 49 0.606 -0.359 0.655 1.00 22.43 H new ATOM 0 HD12 LEU A 49 -1.119 -0.074 0.320 1.00 22.43 H new ATOM 0 HD13 LEU A 49 -0.636 -1.263 1.553 1.00 22.43 H new ATOM 0 HD21 LEU A 49 1.677 -2.462 -0.036 1.00 13.25 H new ATOM 0 HD22 LEU A 49 0.455 -3.370 0.885 1.00 13.25 H new ATOM 0 HD23 LEU A 49 0.723 -3.733 -0.837 1.00 13.25 H new ATOM 685 N VAL A 50 -3.357 -2.197 -3.314 1.00 44.21 N ATOM 686 CA VAL A 50 -3.641 -1.475 -4.518 1.00 1.31 C ATOM 687 C VAL A 50 -3.995 -0.031 -4.183 1.00 2.12 C ATOM 688 O VAL A 50 -4.665 0.237 -3.183 1.00 34.32 O ATOM 689 CB VAL A 50 -4.788 -2.170 -5.333 1.00 62.22 C ATOM 690 CG1 VAL A 50 -6.090 -2.257 -4.540 1.00 45.44 C ATOM 691 CG2 VAL A 50 -5.018 -1.485 -6.671 1.00 30.15 C ATOM 0 H VAL A 50 -4.164 -2.310 -2.700 1.00 44.21 H new ATOM 0 HA VAL A 50 -2.751 -1.476 -5.147 1.00 1.31 H new ATOM 0 HB VAL A 50 -4.455 -3.190 -5.527 1.00 62.22 H new ATOM 0 HG11 VAL A 50 -6.853 -2.745 -5.146 1.00 45.44 H new ATOM 0 HG12 VAL A 50 -5.924 -2.835 -3.631 1.00 45.44 H new ATOM 0 HG13 VAL A 50 -6.423 -1.253 -4.277 1.00 45.44 H new ATOM 0 HG21 VAL A 50 -5.819 -1.994 -7.207 1.00 30.15 H new ATOM 0 HG22 VAL A 50 -5.297 -0.445 -6.504 1.00 30.15 H new ATOM 0 HG23 VAL A 50 -4.103 -1.525 -7.262 1.00 30.15 H new ATOM 701 N VAL A 51 -3.517 0.893 -4.975 1.00 55.35 N ATOM 702 CA VAL A 51 -3.803 2.283 -4.746 1.00 51.11 C ATOM 703 C VAL A 51 -5.180 2.583 -5.310 1.00 52.42 C ATOM 704 O VAL A 51 -5.420 2.444 -6.521 1.00 10.03 O ATOM 705 CB VAL A 51 -2.737 3.191 -5.394 1.00 61.55 C ATOM 706 CG1 VAL A 51 -2.929 4.639 -4.970 1.00 63.43 C ATOM 707 CG2 VAL A 51 -1.327 2.708 -5.054 1.00 0.50 C ATOM 0 H VAL A 51 -2.927 0.706 -5.786 1.00 55.35 H new ATOM 0 HA VAL A 51 -3.784 2.487 -3.675 1.00 51.11 H new ATOM 0 HB VAL A 51 -2.861 3.135 -6.476 1.00 61.55 H new ATOM 0 HG11 VAL A 51 -2.166 5.260 -5.439 1.00 63.43 H new ATOM 0 HG12 VAL A 51 -3.916 4.981 -5.280 1.00 63.43 H new ATOM 0 HG13 VAL A 51 -2.843 4.715 -3.886 1.00 63.43 H new ATOM 0 HG21 VAL A 51 -0.594 3.365 -5.523 1.00 0.50 H new ATOM 0 HG22 VAL A 51 -1.188 2.723 -3.973 1.00 0.50 H new ATOM 0 HG23 VAL A 51 -1.192 1.692 -5.423 1.00 0.50 H new ATOM 717 N LYS A 52 -6.062 2.989 -4.436 1.00 75.10 N ATOM 718 CA LYS A 52 -7.455 3.208 -4.751 1.00 71.12 C ATOM 719 C LYS A 52 -7.642 4.599 -5.312 1.00 73.21 C ATOM 720 O LYS A 52 -8.465 4.824 -6.195 1.00 64.04 O ATOM 721 CB LYS A 52 -8.265 3.059 -3.458 1.00 72.32 C ATOM 722 CG LYS A 52 -9.776 3.096 -3.610 1.00 55.03 C ATOM 723 CD LYS A 52 -10.274 1.906 -4.398 1.00 41.23 C ATOM 724 CE LYS A 52 -11.788 1.795 -4.363 1.00 1.15 C ATOM 725 NZ LYS A 52 -12.298 1.584 -2.984 1.00 42.44 N ATOM 0 H LYS A 52 -5.830 3.182 -3.462 1.00 75.10 H new ATOM 0 HA LYS A 52 -7.791 2.485 -5.494 1.00 71.12 H new ATOM 0 HB2 LYS A 52 -7.990 2.115 -2.987 1.00 72.32 H new ATOM 0 HB3 LYS A 52 -7.969 3.854 -2.774 1.00 72.32 H new ATOM 0 HG2 LYS A 52 -10.243 3.105 -2.625 1.00 55.03 H new ATOM 0 HG3 LYS A 52 -10.071 4.017 -4.112 1.00 55.03 H new ATOM 0 HD2 LYS A 52 -9.940 1.990 -5.432 1.00 41.23 H new ATOM 0 HD3 LYS A 52 -9.834 0.994 -3.995 1.00 41.23 H new ATOM 0 HE2 LYS A 52 -12.228 2.702 -4.777 1.00 1.15 H new ATOM 0 HE3 LYS A 52 -12.106 0.968 -4.998 1.00 1.15 H new ATOM 0 HZ1 LYS A 52 -13.257 1.183 -3.026 1.00 42.44 H new ATOM 0 HZ2 LYS A 52 -11.670 0.927 -2.478 1.00 42.44 H new ATOM 0 HZ3 LYS A 52 -12.325 2.494 -2.481 1.00 42.44 H new ATOM 739 N ARG A 53 -6.865 5.514 -4.803 1.00 61.41 N ATOM 740 CA ARG A 53 -6.947 6.903 -5.180 1.00 62.11 C ATOM 741 C ARG A 53 -5.571 7.480 -4.989 1.00 73.11 C ATOM 742 O ARG A 53 -4.868 7.044 -4.086 1.00 14.12 O ATOM 743 CB ARG A 53 -7.955 7.620 -4.254 1.00 51.25 C ATOM 744 CG ARG A 53 -8.295 9.059 -4.636 1.00 62.34 C ATOM 745 CD ARG A 53 -9.015 9.121 -5.972 1.00 44.44 C ATOM 746 NE ARG A 53 -9.397 10.488 -6.338 1.00 52.43 N ATOM 747 CZ ARG A 53 -9.591 10.913 -7.595 1.00 40.35 C ATOM 748 NH1 ARG A 53 -9.469 10.061 -8.623 1.00 65.52 N ATOM 749 NH2 ARG A 53 -9.917 12.183 -7.824 1.00 51.21 N ATOM 0 H ARG A 53 -6.147 5.317 -4.106 1.00 61.41 H new ATOM 0 HA ARG A 53 -7.280 7.024 -6.211 1.00 62.11 H new ATOM 0 HB2 ARG A 53 -8.878 7.041 -4.234 1.00 51.25 H new ATOM 0 HB3 ARG A 53 -7.555 7.617 -3.240 1.00 51.25 H new ATOM 0 HG2 ARG A 53 -8.921 9.504 -3.863 1.00 62.34 H new ATOM 0 HG3 ARG A 53 -7.380 9.650 -4.686 1.00 62.34 H new ATOM 0 HD2 ARG A 53 -8.372 8.706 -6.748 1.00 44.44 H new ATOM 0 HD3 ARG A 53 -9.907 8.496 -5.930 1.00 44.44 H new ATOM 0 HE ARG A 53 -9.524 11.163 -5.584 1.00 52.43 H new ATOM 0 HH11 ARG A 53 -9.228 9.085 -8.451 1.00 65.52 H new ATOM 0 HH12 ARG A 53 -9.618 10.389 -9.577 1.00 65.52 H new ATOM 0 HH21 ARG A 53 -10.019 12.832 -7.044 1.00 51.21 H new ATOM 0 HH22 ARG A 53 -10.065 12.507 -8.780 1.00 51.21 H new ATOM 763 N GLY A 54 -5.168 8.397 -5.830 1.00 52.23 N ATOM 764 CA GLY A 54 -3.868 8.998 -5.688 1.00 14.15 C ATOM 765 C GLY A 54 -3.152 9.080 -7.004 1.00 4.12 C ATOM 766 O GLY A 54 -3.744 8.786 -8.035 1.00 34.31 O ATOM 0 H GLY A 54 -5.718 8.742 -6.616 1.00 52.23 H new ATOM 0 HA2 GLY A 54 -3.973 9.998 -5.267 1.00 14.15 H new ATOM 0 HA3 GLY A 54 -3.272 8.416 -4.984 1.00 14.15 H new ATOM 770 N PRO A 55 -1.868 9.445 -7.013 1.00 52.40 N ATOM 771 CA PRO A 55 -1.092 9.542 -8.253 1.00 72.52 C ATOM 772 C PRO A 55 -0.788 8.153 -8.783 1.00 25.24 C ATOM 773 O PRO A 55 -0.732 7.902 -9.992 1.00 15.41 O ATOM 774 CB PRO A 55 0.222 10.210 -7.818 1.00 34.24 C ATOM 775 CG PRO A 55 0.031 10.634 -6.398 1.00 43.55 C ATOM 776 CD PRO A 55 -1.066 9.793 -5.830 1.00 61.00 C ATOM 0 HA PRO A 55 -1.619 10.090 -9.034 1.00 72.52 H new ATOM 0 HB2 PRO A 55 1.058 9.516 -7.907 1.00 34.24 H new ATOM 0 HB3 PRO A 55 0.450 11.067 -8.452 1.00 34.24 H new ATOM 0 HG2 PRO A 55 0.951 10.501 -5.830 1.00 43.55 H new ATOM 0 HG3 PRO A 55 -0.227 11.692 -6.344 1.00 43.55 H new ATOM 0 HD2 PRO A 55 -0.676 8.905 -5.332 1.00 61.00 H new ATOM 0 HD3 PRO A 55 -1.653 10.341 -5.092 1.00 61.00 H new ATOM 784 N ASN A 56 -0.620 7.254 -7.853 1.00 4.51 N ATOM 785 CA ASN A 56 -0.277 5.880 -8.119 1.00 5.14 C ATOM 786 C ASN A 56 -1.552 5.037 -8.269 1.00 5.31 C ATOM 787 O ASN A 56 -1.481 3.816 -8.284 1.00 11.33 O ATOM 788 CB ASN A 56 0.516 5.342 -6.915 1.00 34.51 C ATOM 789 CG ASN A 56 1.685 6.223 -6.489 1.00 74.54 C ATOM 790 OD1 ASN A 56 1.503 7.180 -5.725 1.00 12.03 O ATOM 791 ND2 ASN A 56 2.867 5.899 -6.919 1.00 4.33 N ATOM 0 H ASN A 56 -0.720 7.461 -6.859 1.00 4.51 H new ATOM 0 HA ASN A 56 0.307 5.822 -9.037 1.00 5.14 H new ATOM 0 HB2 ASN A 56 -0.163 5.226 -6.070 1.00 34.51 H new ATOM 0 HB3 ASN A 56 0.894 4.349 -7.158 1.00 34.51 H new ATOM 0 HD21 ASN A 56 3.682 6.440 -6.628 1.00 4.33 H new ATOM 0 HD22 ASN A 56 2.981 5.104 -7.548 1.00 4.33 H new ATOM 798 N ALA A 57 -2.714 5.694 -8.381 1.00 13.34 N ATOM 799 CA ALA A 57 -4.002 4.990 -8.431 1.00 24.34 C ATOM 800 C ALA A 57 -4.063 3.994 -9.569 1.00 15.12 C ATOM 801 O ALA A 57 -3.746 4.317 -10.729 1.00 23.20 O ATOM 802 CB ALA A 57 -5.160 5.966 -8.522 1.00 23.11 C ATOM 0 H ALA A 57 -2.789 6.710 -8.439 1.00 13.34 H new ATOM 0 HA ALA A 57 -4.090 4.433 -7.498 1.00 24.34 H new ATOM 0 HB1 ALA A 57 -6.099 5.414 -8.557 1.00 23.11 H new ATOM 0 HB2 ALA A 57 -5.155 6.619 -7.649 1.00 23.11 H new ATOM 0 HB3 ALA A 57 -5.059 6.568 -9.425 1.00 23.11 H new ATOM 808 N GLY A 58 -4.453 2.793 -9.237 1.00 42.33 N ATOM 809 CA GLY A 58 -4.536 1.752 -10.209 1.00 73.42 C ATOM 810 C GLY A 58 -3.373 0.799 -10.106 1.00 32.52 C ATOM 811 O GLY A 58 -3.445 -0.325 -10.604 1.00 53.23 O ATOM 0 H GLY A 58 -4.719 2.516 -8.292 1.00 42.33 H new ATOM 0 HA2 GLY A 58 -5.469 1.204 -10.076 1.00 73.42 H new ATOM 0 HA3 GLY A 58 -4.562 2.188 -11.208 1.00 73.42 H new ATOM 815 N ALA A 59 -2.304 1.234 -9.472 1.00 62.11 N ATOM 816 CA ALA A 59 -1.136 0.395 -9.306 1.00 64.43 C ATOM 817 C ALA A 59 -1.272 -0.437 -8.049 1.00 22.21 C ATOM 818 O ALA A 59 -2.026 -0.080 -7.129 1.00 65.15 O ATOM 819 CB ALA A 59 0.137 1.231 -9.256 1.00 4.42 C ATOM 0 H ALA A 59 -2.220 2.165 -9.063 1.00 62.11 H new ATOM 0 HA ALA A 59 -1.066 -0.270 -10.167 1.00 64.43 H new ATOM 0 HB1 ALA A 59 0.998 0.575 -9.131 1.00 4.42 H new ATOM 0 HB2 ALA A 59 0.240 1.792 -10.185 1.00 4.42 H new ATOM 0 HB3 ALA A 59 0.084 1.925 -8.417 1.00 4.42 H new ATOM 825 N ARG A 60 -0.568 -1.534 -8.012 1.00 73.44 N ATOM 826 CA ARG A 60 -0.577 -2.427 -6.884 1.00 72.20 C ATOM 827 C ARG A 60 0.840 -2.899 -6.659 1.00 62.21 C ATOM 828 O ARG A 60 1.654 -2.859 -7.592 1.00 3.33 O ATOM 829 CB ARG A 60 -1.497 -3.638 -7.160 1.00 71.30 C ATOM 830 CG ARG A 60 -1.038 -4.489 -8.335 1.00 11.53 C ATOM 831 CD ARG A 60 -1.955 -5.668 -8.622 1.00 10.31 C ATOM 832 NE ARG A 60 -1.442 -6.445 -9.757 1.00 64.12 N ATOM 833 CZ ARG A 60 -2.168 -7.232 -10.569 1.00 2.33 C ATOM 834 NH1 ARG A 60 -3.434 -7.537 -10.276 1.00 4.04 N ATOM 835 NH2 ARG A 60 -1.607 -7.744 -11.657 1.00 73.02 N ATOM 0 H ARG A 60 0.037 -1.838 -8.775 1.00 73.44 H new ATOM 0 HA ARG A 60 -0.956 -1.911 -6.001 1.00 72.20 H new ATOM 0 HB2 ARG A 60 -1.544 -4.260 -6.266 1.00 71.30 H new ATOM 0 HB3 ARG A 60 -2.508 -3.280 -7.353 1.00 71.30 H new ATOM 0 HG2 ARG A 60 -0.975 -3.863 -9.225 1.00 11.53 H new ATOM 0 HG3 ARG A 60 -0.033 -4.860 -8.134 1.00 11.53 H new ATOM 0 HD2 ARG A 60 -2.028 -6.304 -7.740 1.00 10.31 H new ATOM 0 HD3 ARG A 60 -2.961 -5.311 -8.842 1.00 10.31 H new ATOM 0 HE ARG A 60 -0.442 -6.382 -9.947 1.00 64.12 H new ATOM 0 HH11 ARG A 60 -3.863 -7.171 -9.426 1.00 4.04 H new ATOM 0 HH12 ARG A 60 -3.972 -8.136 -10.902 1.00 4.04 H new ATOM 0 HH21 ARG A 60 -0.631 -7.539 -11.872 1.00 73.02 H new ATOM 0 HH22 ARG A 60 -2.152 -8.342 -12.278 1.00 73.02 H new ATOM 849 N PHE A 61 1.149 -3.288 -5.453 1.00 20.11 N ATOM 850 CA PHE A 61 2.439 -3.854 -5.141 1.00 72.52 C ATOM 851 C PHE A 61 2.291 -4.876 -4.036 1.00 54.30 C ATOM 852 O PHE A 61 1.453 -4.707 -3.136 1.00 64.42 O ATOM 853 CB PHE A 61 3.502 -2.771 -4.806 1.00 15.20 C ATOM 854 CG PHE A 61 3.198 -1.865 -3.630 1.00 13.13 C ATOM 855 CD1 PHE A 61 2.375 -0.754 -3.779 1.00 22.24 C ATOM 856 CD2 PHE A 61 3.768 -2.105 -2.387 1.00 75.51 C ATOM 857 CE1 PHE A 61 2.128 0.092 -2.716 1.00 34.21 C ATOM 858 CE2 PHE A 61 3.520 -1.262 -1.320 1.00 51.54 C ATOM 859 CZ PHE A 61 2.701 -0.163 -1.485 1.00 44.23 C ATOM 0 H PHE A 61 0.516 -3.223 -4.656 1.00 20.11 H new ATOM 0 HA PHE A 61 2.815 -4.358 -6.031 1.00 72.52 H new ATOM 0 HB2 PHE A 61 4.451 -3.272 -4.614 1.00 15.20 H new ATOM 0 HB3 PHE A 61 3.644 -2.148 -5.689 1.00 15.20 H new ATOM 0 HD1 PHE A 61 1.923 -0.550 -4.739 1.00 22.24 H new ATOM 0 HD2 PHE A 61 4.413 -2.961 -2.252 1.00 75.51 H new ATOM 0 HE1 PHE A 61 1.488 0.952 -2.847 1.00 34.21 H new ATOM 0 HE2 PHE A 61 3.967 -1.463 -0.358 1.00 51.54 H new ATOM 0 HZ PHE A 61 2.508 0.497 -0.652 1.00 44.23 H new ATOM 869 N LEU A 62 3.059 -5.938 -4.122 1.00 31.44 N ATOM 870 CA LEU A 62 2.987 -7.019 -3.164 1.00 45.34 C ATOM 871 C LEU A 62 4.208 -7.021 -2.288 1.00 71.22 C ATOM 872 O LEU A 62 5.313 -6.674 -2.736 1.00 52.53 O ATOM 873 CB LEU A 62 2.779 -8.422 -3.809 1.00 0.54 C ATOM 874 CG LEU A 62 3.902 -9.011 -4.691 1.00 60.01 C ATOM 875 CD1 LEU A 62 3.673 -10.498 -4.867 1.00 74.43 C ATOM 876 CD2 LEU A 62 3.936 -8.360 -6.065 1.00 74.41 C ATOM 0 H LEU A 62 3.751 -6.077 -4.858 1.00 31.44 H new ATOM 0 HA LEU A 62 2.098 -6.831 -2.562 1.00 45.34 H new ATOM 0 HB2 LEU A 62 2.587 -9.130 -3.003 1.00 0.54 H new ATOM 0 HB3 LEU A 62 1.874 -8.376 -4.415 1.00 0.54 H new ATOM 0 HG LEU A 62 4.852 -8.820 -4.193 1.00 60.01 H new ATOM 0 HD11 LEU A 62 4.464 -10.917 -5.489 1.00 74.43 H new ATOM 0 HD12 LEU A 62 3.682 -10.985 -3.892 1.00 74.43 H new ATOM 0 HD13 LEU A 62 2.708 -10.663 -5.347 1.00 74.43 H new ATOM 0 HD21 LEU A 62 4.739 -8.800 -6.656 1.00 74.41 H new ATOM 0 HD22 LEU A 62 2.983 -8.523 -6.568 1.00 74.41 H new ATOM 0 HD23 LEU A 62 4.111 -7.290 -5.956 1.00 74.41 H new ATOM 888 N LEU A 63 4.014 -7.376 -1.048 1.00 4.11 N ATOM 889 CA LEU A 63 5.094 -7.403 -0.092 1.00 63.31 C ATOM 890 C LEU A 63 5.913 -8.680 -0.259 1.00 23.12 C ATOM 891 O LEU A 63 5.466 -9.773 0.088 1.00 52.13 O ATOM 892 CB LEU A 63 4.579 -7.276 1.360 1.00 2.42 C ATOM 893 CG LEU A 63 3.823 -5.977 1.759 1.00 2.13 C ATOM 894 CD1 LEU A 63 4.583 -4.725 1.348 1.00 70.34 C ATOM 895 CD2 LEU A 63 2.389 -5.958 1.240 1.00 13.44 C ATOM 0 H LEU A 63 3.109 -7.654 -0.670 1.00 4.11 H new ATOM 0 HA LEU A 63 5.732 -6.541 -0.288 1.00 63.31 H new ATOM 0 HB2 LEU A 63 3.917 -8.120 1.554 1.00 2.42 H new ATOM 0 HB3 LEU A 63 5.434 -7.382 2.027 1.00 2.42 H new ATOM 0 HG LEU A 63 3.766 -5.977 2.848 1.00 2.13 H new ATOM 0 HD11 LEU A 63 4.018 -3.842 1.647 1.00 70.34 H new ATOM 0 HD12 LEU A 63 5.558 -4.714 1.836 1.00 70.34 H new ATOM 0 HD13 LEU A 63 4.719 -4.720 0.266 1.00 70.34 H new ATOM 0 HD21 LEU A 63 1.904 -5.031 1.545 1.00 13.44 H new ATOM 0 HD22 LEU A 63 2.395 -6.024 0.152 1.00 13.44 H new ATOM 0 HD23 LEU A 63 1.842 -6.806 1.652 1.00 13.44 H new ATOM 907 N ASP A 64 7.075 -8.527 -0.841 1.00 1.23 N ATOM 908 CA ASP A 64 8.028 -9.619 -1.089 1.00 13.02 C ATOM 909 C ASP A 64 9.303 -9.369 -0.288 1.00 51.44 C ATOM 910 O ASP A 64 10.097 -10.276 -0.017 1.00 5.11 O ATOM 911 CB ASP A 64 8.352 -9.671 -2.600 1.00 25.43 C ATOM 912 CG ASP A 64 9.389 -10.717 -2.979 1.00 65.34 C ATOM 913 OD1 ASP A 64 9.047 -11.913 -3.066 1.00 63.23 O ATOM 914 OD2 ASP A 64 10.555 -10.357 -3.257 1.00 52.45 O ATOM 0 H ASP A 64 7.409 -7.621 -1.171 1.00 1.23 H new ATOM 0 HA ASP A 64 7.595 -10.570 -0.780 1.00 13.02 H new ATOM 0 HB2 ASP A 64 7.433 -9.871 -3.151 1.00 25.43 H new ATOM 0 HB3 ASP A 64 8.708 -8.691 -2.918 1.00 25.43 H new ATOM 919 N GLN A 65 9.428 -8.156 0.156 1.00 20.50 N ATOM 920 CA GLN A 65 10.586 -7.667 0.833 1.00 4.54 C ATOM 921 C GLN A 65 10.290 -7.488 2.311 1.00 33.42 C ATOM 922 O GLN A 65 9.138 -7.334 2.686 1.00 2.52 O ATOM 923 CB GLN A 65 11.122 -6.333 0.189 1.00 34.21 C ATOM 924 CG GLN A 65 10.198 -5.064 0.133 1.00 20.22 C ATOM 925 CD GLN A 65 8.951 -5.120 -0.798 1.00 0.13 C ATOM 926 OE1 GLN A 65 8.331 -6.131 -0.996 1.00 72.32 O ATOM 927 NE2 GLN A 65 8.626 -4.029 -1.420 1.00 42.12 N ATOM 0 H GLN A 65 8.696 -7.453 0.052 1.00 20.50 H new ATOM 0 HA GLN A 65 11.378 -8.408 0.725 1.00 4.54 H new ATOM 0 HB2 GLN A 65 12.026 -6.052 0.729 1.00 34.21 H new ATOM 0 HB3 GLN A 65 11.420 -6.563 -0.834 1.00 34.21 H new ATOM 0 HG2 GLN A 65 9.852 -4.855 1.145 1.00 20.22 H new ATOM 0 HG3 GLN A 65 10.810 -4.216 -0.176 1.00 20.22 H new ATOM 0 HE21 GLN A 65 9.151 -3.171 -1.253 1.00 42.12 H new ATOM 0 HE22 GLN A 65 7.845 -4.029 -2.076 1.00 42.12 H new ATOM 936 N PRO A 66 11.319 -7.575 3.181 1.00 5.15 N ATOM 937 CA PRO A 66 11.151 -7.425 4.635 1.00 20.24 C ATOM 938 C PRO A 66 10.653 -6.042 5.058 1.00 32.01 C ATOM 939 O PRO A 66 9.987 -5.908 6.093 1.00 73.41 O ATOM 940 CB PRO A 66 12.560 -7.660 5.200 1.00 4.25 C ATOM 941 CG PRO A 66 13.288 -8.387 4.129 1.00 31.51 C ATOM 942 CD PRO A 66 12.727 -7.881 2.834 1.00 21.40 C ATOM 0 HA PRO A 66 10.396 -8.120 5.003 1.00 20.24 H new ATOM 0 HB2 PRO A 66 13.051 -6.717 5.441 1.00 4.25 H new ATOM 0 HB3 PRO A 66 12.524 -8.244 6.119 1.00 4.25 H new ATOM 0 HG2 PRO A 66 14.360 -8.200 4.190 1.00 31.51 H new ATOM 0 HG3 PRO A 66 13.146 -9.464 4.222 1.00 31.51 H new ATOM 0 HD2 PRO A 66 13.258 -6.997 2.482 1.00 21.40 H new ATOM 0 HD3 PRO A 66 12.795 -8.629 2.044 1.00 21.40 H new ATOM 950 N THR A 67 10.976 -5.020 4.296 1.00 52.02 N ATOM 951 CA THR A 67 10.582 -3.666 4.658 1.00 70.51 C ATOM 952 C THR A 67 10.387 -2.791 3.413 1.00 2.11 C ATOM 953 O THR A 67 11.296 -2.643 2.588 1.00 52.14 O ATOM 954 CB THR A 67 11.628 -2.999 5.607 1.00 44.44 C ATOM 955 OG1 THR A 67 11.818 -3.810 6.790 1.00 10.54 O ATOM 956 CG2 THR A 67 11.166 -1.605 6.037 1.00 21.31 C ATOM 0 H THR A 67 11.506 -5.094 3.428 1.00 52.02 H new ATOM 0 HA THR A 67 9.632 -3.745 5.187 1.00 70.51 H new ATOM 0 HB THR A 67 12.566 -2.913 5.059 1.00 44.44 H new ATOM 0 HG1 THR A 67 12.477 -3.383 7.377 1.00 10.54 H new ATOM 0 HG21 THR A 67 11.912 -1.162 6.697 1.00 21.31 H new ATOM 0 HG22 THR A 67 11.041 -0.975 5.156 1.00 21.31 H new ATOM 0 HG23 THR A 67 10.215 -1.683 6.564 1.00 21.31 H new ATOM 964 N THR A 68 9.219 -2.244 3.282 1.00 54.15 N ATOM 965 CA THR A 68 8.893 -1.379 2.192 1.00 74.44 C ATOM 966 C THR A 68 8.678 0.041 2.724 1.00 53.42 C ATOM 967 O THR A 68 7.764 0.270 3.499 1.00 33.32 O ATOM 968 CB THR A 68 7.584 -1.852 1.551 1.00 24.43 C ATOM 969 OG1 THR A 68 7.638 -3.263 1.339 1.00 13.53 O ATOM 970 CG2 THR A 68 7.358 -1.161 0.229 1.00 60.11 C ATOM 0 H THR A 68 8.453 -2.388 3.940 1.00 54.15 H new ATOM 0 HA THR A 68 9.702 -1.393 1.462 1.00 74.44 H new ATOM 0 HB THR A 68 6.762 -1.607 2.223 1.00 24.43 H new ATOM 0 HG1 THR A 68 6.974 -3.518 0.665 1.00 13.53 H new ATOM 0 HG21 THR A 68 6.423 -1.511 -0.209 1.00 60.11 H new ATOM 0 HG22 THR A 68 7.304 -0.084 0.386 1.00 60.11 H new ATOM 0 HG23 THR A 68 8.183 -1.388 -0.446 1.00 60.11 H new ATOM 978 N THR A 69 9.520 0.960 2.356 1.00 20.31 N ATOM 979 CA THR A 69 9.315 2.334 2.756 1.00 72.20 C ATOM 980 C THR A 69 8.485 3.029 1.682 1.00 4.15 C ATOM 981 O THR A 69 8.749 2.849 0.484 1.00 21.44 O ATOM 982 CB THR A 69 10.659 3.062 2.928 1.00 52.21 C ATOM 983 OG1 THR A 69 11.494 2.303 3.814 1.00 61.32 O ATOM 984 CG2 THR A 69 10.448 4.450 3.507 1.00 41.34 C ATOM 0 H THR A 69 10.349 0.794 1.786 1.00 20.31 H new ATOM 0 HA THR A 69 8.796 2.358 3.714 1.00 72.20 H new ATOM 0 HB THR A 69 11.133 3.159 1.951 1.00 52.21 H new ATOM 0 HG1 THR A 69 12.353 2.761 3.926 1.00 61.32 H new ATOM 0 HG21 THR A 69 11.411 4.947 3.620 1.00 41.34 H new ATOM 0 HG22 THR A 69 9.816 5.032 2.836 1.00 41.34 H new ATOM 0 HG23 THR A 69 9.965 4.368 4.481 1.00 41.34 H new ATOM 992 N ALA A 70 7.477 3.769 2.087 1.00 32.34 N ATOM 993 CA ALA A 70 6.636 4.464 1.150 1.00 63.30 C ATOM 994 C ALA A 70 6.512 5.939 1.503 1.00 73.34 C ATOM 995 O ALA A 70 6.336 6.310 2.702 1.00 33.40 O ATOM 996 CB ALA A 70 5.270 3.811 1.079 1.00 42.11 C ATOM 0 H ALA A 70 7.222 3.903 3.066 1.00 32.34 H new ATOM 0 HA ALA A 70 7.103 4.399 0.167 1.00 63.30 H new ATOM 0 HB1 ALA A 70 4.646 4.349 0.365 1.00 42.11 H new ATOM 0 HB2 ALA A 70 5.378 2.775 0.757 1.00 42.11 H new ATOM 0 HB3 ALA A 70 4.802 3.838 2.063 1.00 42.11 H new ATOM 1002 N GLY A 71 6.631 6.761 0.477 1.00 41.22 N ATOM 1003 CA GLY A 71 6.501 8.180 0.616 1.00 34.10 C ATOM 1004 C GLY A 71 7.299 8.909 -0.445 1.00 72.31 C ATOM 1005 O GLY A 71 7.536 8.368 -1.534 1.00 60.22 O ATOM 0 H GLY A 71 6.821 6.451 -0.476 1.00 41.22 H new ATOM 0 HA2 GLY A 71 5.450 8.461 0.542 1.00 34.10 H new ATOM 0 HA3 GLY A 71 6.843 8.484 1.605 1.00 34.10 H new ATOM 1009 N ARG A 72 7.695 10.118 -0.123 1.00 51.04 N ATOM 1010 CA ARG A 72 8.517 10.982 -0.966 1.00 33.44 C ATOM 1011 C ARG A 72 9.991 10.535 -0.844 1.00 20.30 C ATOM 1012 O ARG A 72 10.355 9.943 0.165 1.00 54.20 O ATOM 1013 CB ARG A 72 8.296 12.470 -0.552 1.00 70.13 C ATOM 1014 CG ARG A 72 9.177 13.534 -1.230 1.00 11.43 C ATOM 1015 CD ARG A 72 8.993 13.648 -2.754 1.00 21.34 C ATOM 1016 NE ARG A 72 7.636 14.053 -3.172 1.00 41.44 N ATOM 1017 CZ ARG A 72 7.139 15.317 -3.149 1.00 54.43 C ATOM 1018 NH1 ARG A 72 7.803 16.310 -2.567 1.00 21.15 N ATOM 1019 NH2 ARG A 72 5.994 15.565 -3.733 1.00 74.22 N ATOM 0 H ARG A 72 7.448 10.552 0.767 1.00 51.04 H new ATOM 0 HA ARG A 72 8.233 10.899 -2.015 1.00 33.44 H new ATOM 0 HB2 ARG A 72 7.254 12.722 -0.747 1.00 70.13 H new ATOM 0 HB3 ARG A 72 8.446 12.545 0.525 1.00 70.13 H new ATOM 0 HG2 ARG A 72 8.964 14.503 -0.779 1.00 11.43 H new ATOM 0 HG3 ARG A 72 10.222 13.308 -1.020 1.00 11.43 H new ATOM 0 HD2 ARG A 72 9.711 14.370 -3.142 1.00 21.34 H new ATOM 0 HD3 ARG A 72 9.230 12.687 -3.210 1.00 21.34 H new ATOM 0 HE ARG A 72 7.015 13.317 -3.509 1.00 41.44 H new ATOM 0 HH11 ARG A 72 8.705 16.131 -2.126 1.00 21.15 H new ATOM 0 HH12 ARG A 72 7.411 17.252 -2.562 1.00 21.15 H new ATOM 0 HH21 ARG A 72 5.485 14.813 -4.198 1.00 74.22 H new ATOM 0 HH22 ARG A 72 5.610 16.510 -3.723 1.00 74.22 H new ATOM 1033 N HIS A 73 10.781 10.769 -1.905 1.00 11.01 N ATOM 1034 CA HIS A 73 12.195 10.336 -2.051 1.00 12.23 C ATOM 1035 C HIS A 73 12.272 8.999 -2.743 1.00 11.13 C ATOM 1036 O HIS A 73 11.638 8.038 -2.326 1.00 31.50 O ATOM 1037 CB HIS A 73 13.046 10.274 -0.746 1.00 74.42 C ATOM 1038 CG HIS A 73 13.511 11.567 -0.139 1.00 74.10 C ATOM 1039 ND1 HIS A 73 14.672 11.665 0.603 1.00 43.54 N ATOM 1040 CD2 HIS A 73 12.967 12.802 -0.138 1.00 4.54 C ATOM 1041 CE1 HIS A 73 14.800 12.913 1.020 1.00 71.05 C ATOM 1042 NE2 HIS A 73 13.785 13.660 0.597 1.00 2.13 N ATOM 0 H HIS A 73 10.447 11.284 -2.720 1.00 11.01 H new ATOM 0 HA HIS A 73 12.640 11.132 -2.648 1.00 12.23 H new ATOM 0 HB2 HIS A 73 12.463 9.744 0.007 1.00 74.42 H new ATOM 0 HB3 HIS A 73 13.928 9.667 -0.952 1.00 74.42 H new ATOM 0 HD1 HIS A 73 15.321 10.903 0.797 1.00 43.54 H new ATOM 0 HD2 HIS A 73 12.046 13.081 -0.628 1.00 4.54 H new ATOM 0 HE1 HIS A 73 15.619 13.277 1.623 1.00 71.05 H new ATOM 1050 N PRO A 74 13.078 8.904 -3.806 1.00 4.43 N ATOM 1051 CA PRO A 74 13.255 7.655 -4.544 1.00 10.50 C ATOM 1052 C PRO A 74 14.094 6.625 -3.767 1.00 32.31 C ATOM 1053 O PRO A 74 14.397 5.552 -4.274 1.00 44.30 O ATOM 1054 CB PRO A 74 13.970 8.084 -5.826 1.00 54.25 C ATOM 1055 CG PRO A 74 14.663 9.356 -5.486 1.00 33.44 C ATOM 1056 CD PRO A 74 13.859 10.013 -4.399 1.00 31.45 C ATOM 0 HA PRO A 74 12.303 7.157 -4.727 1.00 10.50 H new ATOM 0 HB2 PRO A 74 14.681 7.325 -6.152 1.00 54.25 H new ATOM 0 HB3 PRO A 74 13.261 8.229 -6.641 1.00 54.25 H new ATOM 0 HG2 PRO A 74 15.682 9.163 -5.150 1.00 33.44 H new ATOM 0 HG3 PRO A 74 14.733 10.004 -6.360 1.00 33.44 H new ATOM 0 HD2 PRO A 74 14.503 10.487 -3.658 1.00 31.45 H new ATOM 0 HD3 PRO A 74 13.207 10.790 -4.799 1.00 31.45 H new ATOM 1064 N GLU A 75 14.481 6.973 -2.541 1.00 23.03 N ATOM 1065 CA GLU A 75 15.193 6.055 -1.676 1.00 2.42 C ATOM 1066 C GLU A 75 14.181 5.115 -1.044 1.00 24.40 C ATOM 1067 O GLU A 75 14.514 3.989 -0.657 1.00 54.05 O ATOM 1068 CB GLU A 75 15.979 6.798 -0.582 1.00 23.02 C ATOM 1069 CG GLU A 75 15.110 7.522 0.432 1.00 64.20 C ATOM 1070 CD GLU A 75 15.902 8.339 1.400 1.00 72.31 C ATOM 1071 OE1 GLU A 75 16.305 9.470 1.036 1.00 64.42 O ATOM 1072 OE2 GLU A 75 16.125 7.877 2.553 1.00 23.34 O ATOM 0 H GLU A 75 14.309 7.890 -2.130 1.00 23.03 H new ATOM 0 HA GLU A 75 15.917 5.497 -2.270 1.00 2.42 H new ATOM 0 HB2 GLU A 75 16.611 6.082 -0.056 1.00 23.02 H new ATOM 0 HB3 GLU A 75 16.643 7.521 -1.056 1.00 23.02 H new ATOM 0 HG2 GLU A 75 14.410 8.170 -0.095 1.00 64.20 H new ATOM 0 HG3 GLU A 75 14.517 6.791 0.982 1.00 64.20 H new ATOM 1079 N SER A 76 12.950 5.588 -0.951 1.00 74.22 N ATOM 1080 CA SER A 76 11.868 4.825 -0.439 1.00 65.43 C ATOM 1081 C SER A 76 11.501 3.783 -1.485 1.00 23.10 C ATOM 1082 O SER A 76 11.410 4.103 -2.677 1.00 22.34 O ATOM 1083 CB SER A 76 10.704 5.769 -0.132 1.00 15.30 C ATOM 1084 OG SER A 76 11.147 6.807 0.750 1.00 51.03 O ATOM 0 H SER A 76 12.689 6.531 -1.239 1.00 74.22 H new ATOM 0 HA SER A 76 12.130 4.312 0.486 1.00 65.43 H new ATOM 0 HB2 SER A 76 10.320 6.202 -1.056 1.00 15.30 H new ATOM 0 HB3 SER A 76 9.884 5.215 0.325 1.00 15.30 H new ATOM 0 HG SER A 76 10.797 7.669 0.443 1.00 51.03 H new ATOM 1090 N ASP A 77 11.357 2.547 -1.046 1.00 44.12 N ATOM 1091 CA ASP A 77 11.114 1.402 -1.933 1.00 34.32 C ATOM 1092 C ASP A 77 9.897 1.605 -2.840 1.00 2.42 C ATOM 1093 O ASP A 77 9.925 1.235 -4.022 1.00 21.00 O ATOM 1094 CB ASP A 77 10.993 0.107 -1.127 1.00 15.41 C ATOM 1095 CG ASP A 77 10.943 -1.116 -2.006 1.00 32.43 C ATOM 1096 OD1 ASP A 77 11.949 -1.403 -2.698 1.00 43.40 O ATOM 1097 OD2 ASP A 77 9.940 -1.829 -2.000 1.00 43.34 O ATOM 0 H ASP A 77 11.404 2.297 -0.058 1.00 44.12 H new ATOM 0 HA ASP A 77 11.979 1.322 -2.591 1.00 34.32 H new ATOM 0 HB2 ASP A 77 11.840 0.026 -0.445 1.00 15.41 H new ATOM 0 HB3 ASP A 77 10.093 0.147 -0.514 1.00 15.41 H new ATOM 1102 N ILE A 78 8.849 2.190 -2.301 1.00 11.34 N ATOM 1103 CA ILE A 78 7.677 2.526 -3.079 1.00 61.42 C ATOM 1104 C ILE A 78 7.469 4.031 -3.017 1.00 11.20 C ATOM 1105 O ILE A 78 7.383 4.617 -1.924 1.00 71.34 O ATOM 1106 CB ILE A 78 6.395 1.772 -2.598 1.00 53.11 C ATOM 1107 CG1 ILE A 78 6.567 0.247 -2.752 1.00 24.12 C ATOM 1108 CG2 ILE A 78 5.150 2.246 -3.351 1.00 22.23 C ATOM 1109 CD1 ILE A 78 6.798 -0.237 -4.174 1.00 53.14 C ATOM 0 H ILE A 78 8.786 2.445 -1.315 1.00 11.34 H new ATOM 0 HA ILE A 78 7.847 2.207 -4.107 1.00 61.42 H new ATOM 0 HB ILE A 78 6.256 2.003 -1.542 1.00 53.11 H new ATOM 0 HG12 ILE A 78 7.407 -0.072 -2.135 1.00 24.12 H new ATOM 0 HG13 ILE A 78 5.678 -0.245 -2.358 1.00 24.12 H new ATOM 0 HG21 ILE A 78 4.278 1.701 -2.991 1.00 22.23 H new ATOM 0 HG22 ILE A 78 5.006 3.313 -3.181 1.00 22.23 H new ATOM 0 HG23 ILE A 78 5.278 2.062 -4.418 1.00 22.23 H new ATOM 0 HD11 ILE A 78 6.907 -1.322 -4.176 1.00 53.14 H new ATOM 0 HD12 ILE A 78 5.948 0.044 -4.796 1.00 53.14 H new ATOM 0 HD13 ILE A 78 7.705 0.219 -4.571 1.00 53.14 H new ATOM 1121 N PHE A 79 7.402 4.647 -4.161 1.00 50.04 N ATOM 1122 CA PHE A 79 7.270 6.069 -4.236 1.00 41.12 C ATOM 1123 C PHE A 79 5.808 6.464 -4.384 1.00 4.24 C ATOM 1124 O PHE A 79 5.196 6.266 -5.433 1.00 21.23 O ATOM 1125 CB PHE A 79 8.106 6.631 -5.395 1.00 15.42 C ATOM 1126 CG PHE A 79 8.114 8.136 -5.473 1.00 5.05 C ATOM 1127 CD1 PHE A 79 9.019 8.869 -4.733 1.00 53.52 C ATOM 1128 CD2 PHE A 79 7.215 8.814 -6.284 1.00 3.23 C ATOM 1129 CE1 PHE A 79 9.032 10.243 -4.798 1.00 42.41 C ATOM 1130 CE2 PHE A 79 7.224 10.191 -6.351 1.00 12.14 C ATOM 1131 CZ PHE A 79 8.133 10.906 -5.606 1.00 60.53 C ATOM 0 H PHE A 79 7.437 4.177 -5.066 1.00 50.04 H new ATOM 0 HA PHE A 79 7.646 6.497 -3.307 1.00 41.12 H new ATOM 0 HB2 PHE A 79 9.132 6.277 -5.294 1.00 15.42 H new ATOM 0 HB3 PHE A 79 7.722 6.231 -6.333 1.00 15.42 H new ATOM 0 HD1 PHE A 79 9.725 8.358 -4.095 1.00 53.52 H new ATOM 0 HD2 PHE A 79 6.500 8.256 -6.870 1.00 3.23 H new ATOM 0 HE1 PHE A 79 9.748 10.803 -4.215 1.00 42.41 H new ATOM 0 HE2 PHE A 79 6.519 10.707 -6.987 1.00 12.14 H new ATOM 0 HZ PHE A 79 8.142 11.985 -5.654 1.00 60.53 H new ATOM 1141 N LEU A 80 5.271 7.007 -3.339 1.00 53.44 N ATOM 1142 CA LEU A 80 3.917 7.502 -3.317 1.00 21.52 C ATOM 1143 C LEU A 80 4.051 8.990 -3.181 1.00 61.32 C ATOM 1144 O LEU A 80 4.625 9.466 -2.200 1.00 34.15 O ATOM 1145 CB LEU A 80 3.153 6.938 -2.105 1.00 0.24 C ATOM 1146 CG LEU A 80 3.037 5.410 -1.994 1.00 14.03 C ATOM 1147 CD1 LEU A 80 2.282 5.038 -0.730 1.00 33.34 C ATOM 1148 CD2 LEU A 80 2.333 4.826 -3.210 1.00 62.42 C ATOM 0 H LEU A 80 5.765 7.125 -2.455 1.00 53.44 H new ATOM 0 HA LEU A 80 3.366 7.210 -4.211 1.00 21.52 H new ATOM 0 HB2 LEU A 80 3.637 7.306 -1.200 1.00 0.24 H new ATOM 0 HB3 LEU A 80 2.145 7.353 -2.119 1.00 0.24 H new ATOM 0 HG LEU A 80 4.043 4.994 -1.950 1.00 14.03 H new ATOM 0 HD11 LEU A 80 2.204 3.953 -0.659 1.00 33.34 H new ATOM 0 HD12 LEU A 80 2.817 5.421 0.139 1.00 33.34 H new ATOM 0 HD13 LEU A 80 1.283 5.472 -0.762 1.00 33.34 H new ATOM 0 HD21 LEU A 80 2.264 3.743 -3.106 1.00 62.42 H new ATOM 0 HD22 LEU A 80 1.331 5.247 -3.287 1.00 62.42 H new ATOM 0 HD23 LEU A 80 2.899 5.069 -4.109 1.00 62.42 H new ATOM 1160 N ASP A 81 3.589 9.726 -4.150 1.00 62.41 N ATOM 1161 CA ASP A 81 3.826 11.159 -4.132 1.00 52.33 C ATOM 1162 C ASP A 81 2.904 11.873 -3.167 1.00 74.33 C ATOM 1163 O ASP A 81 1.687 11.885 -3.348 1.00 51.44 O ATOM 1164 CB ASP A 81 3.706 11.760 -5.526 1.00 14.11 C ATOM 1165 CG ASP A 81 4.074 13.216 -5.534 1.00 41.43 C ATOM 1166 OD1 ASP A 81 5.233 13.533 -5.209 1.00 14.32 O ATOM 1167 OD2 ASP A 81 3.223 14.073 -5.852 1.00 52.32 O ATOM 0 H ASP A 81 3.058 9.379 -4.949 1.00 62.41 H new ATOM 0 HA ASP A 81 4.849 11.303 -3.783 1.00 52.33 H new ATOM 0 HB2 ASP A 81 4.354 11.217 -6.214 1.00 14.11 H new ATOM 0 HB3 ASP A 81 2.685 11.640 -5.888 1.00 14.11 H new ATOM 1172 N ASP A 82 3.491 12.481 -2.160 1.00 10.24 N ATOM 1173 CA ASP A 82 2.739 13.220 -1.152 1.00 52.23 C ATOM 1174 C ASP A 82 2.631 14.675 -1.568 1.00 62.02 C ATOM 1175 O ASP A 82 3.366 15.127 -2.451 1.00 21.22 O ATOM 1176 CB ASP A 82 3.401 13.091 0.249 1.00 51.43 C ATOM 1177 CG ASP A 82 2.643 13.852 1.341 1.00 45.32 C ATOM 1178 OD1 ASP A 82 1.445 13.588 1.521 1.00 22.42 O ATOM 1179 OD2 ASP A 82 3.228 14.774 1.970 1.00 60.34 O ATOM 0 H ASP A 82 4.500 12.481 -2.011 1.00 10.24 H new ATOM 0 HA ASP A 82 1.738 12.795 -1.078 1.00 52.23 H new ATOM 0 HB2 ASP A 82 3.459 12.037 0.522 1.00 51.43 H new ATOM 0 HB3 ASP A 82 4.424 13.464 0.197 1.00 51.43 H new ATOM 1184 N VAL A 83 1.695 15.387 -0.993 1.00 25.25 N ATOM 1185 CA VAL A 83 1.507 16.798 -1.272 1.00 1.31 C ATOM 1186 C VAL A 83 2.688 17.595 -0.734 1.00 21.05 C ATOM 1187 O VAL A 83 3.163 18.553 -1.367 1.00 64.31 O ATOM 1188 CB VAL A 83 0.184 17.309 -0.639 1.00 60.45 C ATOM 1189 CG1 VAL A 83 -0.003 18.806 -0.836 1.00 14.44 C ATOM 1190 CG2 VAL A 83 -0.990 16.565 -1.228 1.00 13.40 C ATOM 0 H VAL A 83 1.036 15.007 -0.314 1.00 25.25 H new ATOM 0 HA VAL A 83 1.447 16.934 -2.352 1.00 1.31 H new ATOM 0 HB VAL A 83 0.240 17.122 0.433 1.00 60.45 H new ATOM 0 HG11 VAL A 83 -0.941 19.119 -0.377 1.00 14.44 H new ATOM 0 HG12 VAL A 83 0.825 19.341 -0.370 1.00 14.44 H new ATOM 0 HG13 VAL A 83 -0.027 19.033 -1.902 1.00 14.44 H new ATOM 0 HG21 VAL A 83 -1.914 16.929 -0.779 1.00 13.40 H new ATOM 0 HG22 VAL A 83 -1.021 16.729 -2.305 1.00 13.40 H new ATOM 0 HG23 VAL A 83 -0.884 15.499 -1.026 1.00 13.40 H new ATOM 1200 N THR A 84 3.193 17.171 0.381 1.00 5.12 N ATOM 1201 CA THR A 84 4.255 17.854 1.032 1.00 5.33 C ATOM 1202 C THR A 84 5.503 16.972 1.089 1.00 41.50 C ATOM 1203 O THR A 84 5.565 15.916 0.429 1.00 3.02 O ATOM 1204 CB THR A 84 3.807 18.274 2.443 1.00 71.14 C ATOM 1205 OG1 THR A 84 3.258 17.152 3.166 1.00 55.32 O ATOM 1206 CG2 THR A 84 2.776 19.392 2.386 1.00 14.22 C ATOM 0 H THR A 84 2.874 16.333 0.866 1.00 5.12 H new ATOM 0 HA THR A 84 4.509 18.750 0.466 1.00 5.33 H new ATOM 0 HB THR A 84 4.691 18.638 2.966 1.00 71.14 H new ATOM 0 HG1 THR A 84 3.533 16.317 2.733 1.00 55.32 H new ATOM 0 HG21 THR A 84 2.480 19.666 3.399 1.00 14.22 H new ATOM 0 HG22 THR A 84 3.207 20.260 1.887 1.00 14.22 H new ATOM 0 HG23 THR A 84 1.901 19.052 1.832 1.00 14.22 H new ATOM 1214 N VAL A 85 6.514 17.397 1.815 1.00 50.20 N ATOM 1215 CA VAL A 85 7.674 16.577 1.956 1.00 2.04 C ATOM 1216 C VAL A 85 7.439 15.605 3.096 1.00 30.30 C ATOM 1217 O VAL A 85 7.604 15.940 4.278 1.00 61.11 O ATOM 1218 CB VAL A 85 8.962 17.408 2.243 1.00 75.23 C ATOM 1219 CG1 VAL A 85 10.196 16.507 2.308 1.00 11.21 C ATOM 1220 CG2 VAL A 85 9.158 18.496 1.201 1.00 62.14 C ATOM 0 H VAL A 85 6.548 18.291 2.305 1.00 50.20 H new ATOM 0 HA VAL A 85 7.833 16.052 1.014 1.00 2.04 H new ATOM 0 HB VAL A 85 8.833 17.885 3.215 1.00 75.23 H new ATOM 0 HG11 VAL A 85 11.079 17.113 2.509 1.00 11.21 H new ATOM 0 HG12 VAL A 85 10.070 15.774 3.105 1.00 11.21 H new ATOM 0 HG13 VAL A 85 10.320 15.990 1.356 1.00 11.21 H new ATOM 0 HG21 VAL A 85 10.064 19.058 1.428 1.00 62.14 H new ATOM 0 HG22 VAL A 85 9.250 18.042 0.214 1.00 62.14 H new ATOM 0 HG23 VAL A 85 8.301 19.169 1.212 1.00 62.14 H new ATOM 1230 N SER A 86 7.026 14.440 2.738 1.00 5.33 N ATOM 1231 CA SER A 86 6.851 13.367 3.654 1.00 34.10 C ATOM 1232 C SER A 86 7.569 12.181 3.080 1.00 21.32 C ATOM 1233 O SER A 86 7.018 11.404 2.304 1.00 21.05 O ATOM 1234 CB SER A 86 5.365 13.085 3.885 1.00 32.55 C ATOM 1235 OG SER A 86 4.711 14.258 4.351 1.00 11.02 O ATOM 0 H SER A 86 6.794 14.200 1.774 1.00 5.33 H new ATOM 0 HA SER A 86 7.264 13.613 4.632 1.00 34.10 H new ATOM 0 HB2 SER A 86 4.903 12.746 2.958 1.00 32.55 H new ATOM 0 HB3 SER A 86 5.248 12.281 4.612 1.00 32.55 H new ATOM 0 HG SER A 86 4.115 14.600 3.652 1.00 11.02 H new ATOM 1241 N ARG A 87 8.836 12.129 3.371 1.00 30.54 N ATOM 1242 CA ARG A 87 9.702 11.108 2.834 1.00 1.42 C ATOM 1243 C ARG A 87 9.487 9.786 3.583 1.00 74.11 C ATOM 1244 O ARG A 87 9.327 8.736 2.977 1.00 0.12 O ATOM 1245 CB ARG A 87 11.151 11.603 2.882 1.00 44.21 C ATOM 1246 CG ARG A 87 11.576 11.977 4.262 1.00 2.23 C ATOM 1247 CD ARG A 87 12.938 12.569 4.342 1.00 64.14 C ATOM 1248 NE ARG A 87 13.364 12.508 5.718 1.00 33.31 N ATOM 1249 CZ ARG A 87 14.621 12.446 6.084 1.00 10.02 C ATOM 1250 NH1 ARG A 87 15.545 13.179 5.464 1.00 64.51 N ATOM 1251 NH2 ARG A 87 14.940 11.732 7.133 1.00 73.13 N ATOM 0 H ARG A 87 9.304 12.793 3.988 1.00 30.54 H new ATOM 0 HA ARG A 87 9.461 10.910 1.790 1.00 1.42 H new ATOM 0 HB2 ARG A 87 11.811 10.825 2.499 1.00 44.21 H new ATOM 0 HB3 ARG A 87 11.260 12.465 2.224 1.00 44.21 H new ATOM 0 HG2 ARG A 87 10.858 12.688 4.671 1.00 2.23 H new ATOM 0 HG3 ARG A 87 11.540 11.090 4.894 1.00 2.23 H new ATOM 0 HD2 ARG A 87 13.631 12.022 3.703 1.00 64.14 H new ATOM 0 HD3 ARG A 87 12.928 13.601 3.991 1.00 64.14 H new ATOM 0 HE ARG A 87 12.649 12.513 6.445 1.00 33.31 H new ATOM 0 HH11 ARG A 87 15.277 13.796 4.697 1.00 64.51 H new ATOM 0 HH12 ARG A 87 16.521 13.124 5.756 1.00 64.51 H new ATOM 0 HH21 ARG A 87 14.215 11.235 7.651 1.00 73.13 H new ATOM 0 HH22 ARG A 87 15.913 11.672 7.432 1.00 73.13 H new ATOM 1265 N ARG A 88 9.440 9.866 4.889 1.00 31.41 N ATOM 1266 CA ARG A 88 9.091 8.744 5.701 1.00 62.54 C ATOM 1267 C ARG A 88 7.712 8.972 6.212 1.00 35.14 C ATOM 1268 O ARG A 88 7.512 9.729 7.165 1.00 63.34 O ATOM 1269 CB ARG A 88 10.061 8.558 6.877 1.00 62.22 C ATOM 1270 CG ARG A 88 11.403 7.926 6.530 1.00 14.33 C ATOM 1271 CD ARG A 88 11.286 6.415 6.377 1.00 14.41 C ATOM 1272 NE ARG A 88 12.571 5.799 6.005 1.00 32.53 N ATOM 1273 CZ ARG A 88 13.029 4.592 6.418 1.00 44.34 C ATOM 1274 NH1 ARG A 88 12.342 3.851 7.313 1.00 60.54 N ATOM 1275 NH2 ARG A 88 14.185 4.135 5.941 1.00 63.31 N ATOM 0 H ARG A 88 9.644 10.717 5.414 1.00 31.41 H new ATOM 0 HA ARG A 88 9.147 7.836 5.101 1.00 62.54 H new ATOM 0 HB2 ARG A 88 10.245 9.532 7.331 1.00 62.22 H new ATOM 0 HB3 ARG A 88 9.574 7.941 7.632 1.00 62.22 H new ATOM 0 HG2 ARG A 88 11.781 8.358 5.604 1.00 14.33 H new ATOM 0 HG3 ARG A 88 12.128 8.159 7.310 1.00 14.33 H new ATOM 0 HD2 ARG A 88 10.933 5.982 7.313 1.00 14.41 H new ATOM 0 HD3 ARG A 88 10.539 6.184 5.617 1.00 14.41 H new ATOM 0 HE ARG A 88 13.173 6.331 5.377 1.00 32.53 H new ATOM 0 HH11 ARG A 88 11.460 4.197 7.692 1.00 60.54 H new ATOM 0 HH12 ARG A 88 12.704 2.945 7.610 1.00 60.54 H new ATOM 0 HH21 ARG A 88 14.716 4.692 5.272 1.00 63.31 H new ATOM 0 HH22 ARG A 88 14.539 3.228 6.245 1.00 63.31 H new ATOM 1289 N HIS A 89 6.751 8.457 5.505 1.00 24.42 N ATOM 1290 CA HIS A 89 5.406 8.522 5.989 1.00 75.32 C ATOM 1291 C HIS A 89 5.066 7.186 6.613 1.00 60.44 C ATOM 1292 O HIS A 89 4.760 7.113 7.801 1.00 74.22 O ATOM 1293 CB HIS A 89 4.414 8.896 4.864 1.00 65.10 C ATOM 1294 CG HIS A 89 2.963 8.896 5.289 1.00 41.44 C ATOM 1295 ND1 HIS A 89 2.121 7.898 4.894 1.00 33.41 N ATOM 1296 CD2 HIS A 89 2.272 9.765 6.076 1.00 42.10 C ATOM 1297 CE1 HIS A 89 0.961 8.167 5.444 1.00 62.01 C ATOM 1298 NE2 HIS A 89 1.002 9.285 6.165 1.00 53.03 N ATOM 0 H HIS A 89 6.870 7.994 4.604 1.00 24.42 H new ATOM 0 HA HIS A 89 5.322 9.309 6.738 1.00 75.32 H new ATOM 0 HB2 HIS A 89 4.669 9.885 4.484 1.00 65.10 H new ATOM 0 HB3 HIS A 89 4.539 8.196 4.038 1.00 65.10 H new ATOM 0 HD1 HIS A 89 2.347 7.105 4.294 1.00 33.41 H new ATOM 0 HD2 HIS A 89 2.657 10.661 6.540 1.00 42.10 H new ATOM 0 HE1 HIS A 89 0.079 7.555 5.326 1.00 62.01 H new ATOM 1306 N ALA A 90 5.267 6.118 5.856 1.00 71.55 N ATOM 1307 CA ALA A 90 4.940 4.812 6.363 1.00 5.12 C ATOM 1308 C ALA A 90 5.924 3.774 5.889 1.00 11.31 C ATOM 1309 O ALA A 90 6.446 3.849 4.763 1.00 52.51 O ATOM 1310 CB ALA A 90 3.519 4.421 5.963 1.00 21.22 C ATOM 0 H ALA A 90 5.647 6.136 4.910 1.00 71.55 H new ATOM 0 HA ALA A 90 4.999 4.855 7.451 1.00 5.12 H new ATOM 0 HB1 ALA A 90 3.290 3.430 6.356 1.00 21.22 H new ATOM 0 HB2 ALA A 90 2.814 5.145 6.371 1.00 21.22 H new ATOM 0 HB3 ALA A 90 3.437 4.408 4.876 1.00 21.22 H new ATOM 1316 N GLU A 91 6.207 2.839 6.753 1.00 62.45 N ATOM 1317 CA GLU A 91 7.039 1.716 6.426 1.00 44.21 C ATOM 1318 C GLU A 91 6.269 0.420 6.671 1.00 22.04 C ATOM 1319 O GLU A 91 5.578 0.265 7.691 1.00 3.34 O ATOM 1320 CB GLU A 91 8.407 1.753 7.171 1.00 23.14 C ATOM 1321 CG GLU A 91 8.332 1.898 8.693 1.00 33.12 C ATOM 1322 CD GLU A 91 9.705 1.935 9.357 1.00 45.05 C ATOM 1323 OE1 GLU A 91 10.421 2.963 9.248 1.00 0.15 O ATOM 1324 OE2 GLU A 91 10.090 0.942 10.038 1.00 64.43 O ATOM 0 H GLU A 91 5.863 2.836 7.713 1.00 62.45 H new ATOM 0 HA GLU A 91 7.291 1.768 5.367 1.00 44.21 H new ATOM 0 HB2 GLU A 91 8.951 0.838 6.938 1.00 23.14 H new ATOM 0 HB3 GLU A 91 8.993 2.582 6.774 1.00 23.14 H new ATOM 0 HG2 GLU A 91 7.791 2.812 8.939 1.00 33.12 H new ATOM 0 HG3 GLU A 91 7.758 1.067 9.104 1.00 33.12 H new ATOM 1331 N PHE A 92 6.370 -0.485 5.739 1.00 65.10 N ATOM 1332 CA PHE A 92 5.692 -1.753 5.809 1.00 20.13 C ATOM 1333 C PHE A 92 6.724 -2.768 6.172 1.00 44.24 C ATOM 1334 O PHE A 92 7.660 -3.009 5.419 1.00 41.04 O ATOM 1335 CB PHE A 92 5.086 -2.148 4.446 1.00 54.41 C ATOM 1336 CG PHE A 92 4.108 -1.161 3.849 1.00 34.04 C ATOM 1337 CD1 PHE A 92 4.545 0.019 3.261 1.00 51.50 C ATOM 1338 CD2 PHE A 92 2.754 -1.420 3.875 1.00 31.22 C ATOM 1339 CE1 PHE A 92 3.648 0.915 2.719 1.00 11.12 C ATOM 1340 CE2 PHE A 92 1.852 -0.528 3.334 1.00 12.45 C ATOM 1341 CZ PHE A 92 2.301 0.642 2.755 1.00 22.10 C ATOM 0 H PHE A 92 6.933 -0.363 4.897 1.00 65.10 H new ATOM 0 HA PHE A 92 4.881 -1.695 6.535 1.00 20.13 H new ATOM 0 HB2 PHE A 92 5.901 -2.297 3.737 1.00 54.41 H new ATOM 0 HB3 PHE A 92 4.581 -3.108 4.559 1.00 54.41 H new ATOM 0 HD1 PHE A 92 5.602 0.238 3.228 1.00 51.50 H new ATOM 0 HD2 PHE A 92 2.395 -2.334 4.325 1.00 31.22 H new ATOM 0 HE1 PHE A 92 4.003 1.829 2.267 1.00 11.12 H new ATOM 0 HE2 PHE A 92 0.794 -0.745 3.363 1.00 12.45 H new ATOM 0 HZ PHE A 92 1.596 1.341 2.331 1.00 22.10 H new ATOM 1351 N ARG A 93 6.588 -3.311 7.315 1.00 53.51 N ATOM 1352 CA ARG A 93 7.530 -4.233 7.836 1.00 50.23 C ATOM 1353 C ARG A 93 6.898 -5.597 7.888 1.00 52.21 C ATOM 1354 O ARG A 93 5.842 -5.780 8.473 1.00 14.24 O ATOM 1355 CB ARG A 93 7.936 -3.798 9.233 1.00 11.52 C ATOM 1356 CG ARG A 93 8.416 -2.360 9.307 1.00 35.12 C ATOM 1357 CD ARG A 93 8.838 -1.993 10.706 1.00 2.20 C ATOM 1358 NE ARG A 93 9.928 -2.851 11.161 1.00 20.30 N ATOM 1359 CZ ARG A 93 11.209 -2.484 11.216 1.00 2.22 C ATOM 1360 NH1 ARG A 93 11.577 -1.247 10.859 1.00 42.43 N ATOM 1361 NH2 ARG A 93 12.127 -3.359 11.609 1.00 64.31 N ATOM 0 H ARG A 93 5.800 -3.127 7.936 1.00 53.51 H new ATOM 0 HA ARG A 93 8.415 -4.266 7.200 1.00 50.23 H new ATOM 0 HB2 ARG A 93 7.087 -3.924 9.905 1.00 11.52 H new ATOM 0 HB3 ARG A 93 8.727 -4.455 9.593 1.00 11.52 H new ATOM 0 HG2 ARG A 93 9.253 -2.219 8.624 1.00 35.12 H new ATOM 0 HG3 ARG A 93 7.620 -1.692 8.978 1.00 35.12 H new ATOM 0 HD2 ARG A 93 9.154 -0.950 10.733 1.00 2.20 H new ATOM 0 HD3 ARG A 93 7.989 -2.086 11.383 1.00 2.20 H new ATOM 0 HE ARG A 93 9.693 -3.798 11.458 1.00 20.30 H new ATOM 0 HH11 ARG A 93 10.876 -0.578 10.542 1.00 42.43 H new ATOM 0 HH12 ARG A 93 12.559 -0.974 10.904 1.00 42.43 H new ATOM 0 HH21 ARG A 93 11.851 -4.306 11.867 1.00 64.31 H new ATOM 0 HH22 ARG A 93 13.108 -3.084 11.653 1.00 64.31 H new ATOM 1375 N ILE A 94 7.515 -6.527 7.267 1.00 3.31 N ATOM 1376 CA ILE A 94 7.022 -7.869 7.244 1.00 74.25 C ATOM 1377 C ILE A 94 7.878 -8.666 8.202 1.00 4.12 C ATOM 1378 O ILE A 94 9.097 -8.790 8.008 1.00 74.33 O ATOM 1379 CB ILE A 94 7.076 -8.505 5.800 1.00 21.42 C ATOM 1380 CG1 ILE A 94 6.161 -7.761 4.792 1.00 64.24 C ATOM 1381 CG2 ILE A 94 6.691 -9.982 5.830 1.00 73.41 C ATOM 1382 CD1 ILE A 94 6.605 -6.363 4.383 1.00 12.24 C ATOM 0 H ILE A 94 8.385 -6.389 6.752 1.00 3.31 H new ATOM 0 HA ILE A 94 5.972 -7.878 7.538 1.00 74.25 H new ATOM 0 HB ILE A 94 8.108 -8.405 5.465 1.00 21.42 H new ATOM 0 HG12 ILE A 94 6.077 -8.370 3.892 1.00 64.24 H new ATOM 0 HG13 ILE A 94 5.163 -7.690 5.224 1.00 64.24 H new ATOM 0 HG21 ILE A 94 6.738 -10.391 4.821 1.00 73.41 H new ATOM 0 HG22 ILE A 94 7.383 -10.525 6.474 1.00 73.41 H new ATOM 0 HG23 ILE A 94 5.677 -10.086 6.217 1.00 73.41 H new ATOM 0 HD11 ILE A 94 5.887 -5.945 3.677 1.00 12.24 H new ATOM 0 HD12 ILE A 94 6.659 -5.726 5.266 1.00 12.24 H new ATOM 0 HD13 ILE A 94 7.587 -6.416 3.913 1.00 12.24 H new ATOM 1394 N ASN A 95 7.285 -9.147 9.249 1.00 50.13 N ATOM 1395 CA ASN A 95 8.022 -9.871 10.253 1.00 34.41 C ATOM 1396 C ASN A 95 7.303 -11.160 10.578 1.00 34.24 C ATOM 1397 O ASN A 95 6.136 -11.142 10.987 1.00 43.42 O ATOM 1398 CB ASN A 95 8.211 -9.000 11.506 1.00 22.21 C ATOM 1399 CG ASN A 95 9.133 -9.628 12.532 1.00 14.22 C ATOM 1400 OD1 ASN A 95 10.358 -9.429 12.488 1.00 44.24 O ATOM 1401 ND2 ASN A 95 8.579 -10.348 13.469 1.00 20.52 N ATOM 0 H ASN A 95 6.287 -9.054 9.437 1.00 50.13 H new ATOM 0 HA ASN A 95 9.013 -10.119 9.871 1.00 34.41 H new ATOM 0 HB2 ASN A 95 8.612 -8.031 11.210 1.00 22.21 H new ATOM 0 HB3 ASN A 95 7.239 -8.816 11.964 1.00 22.21 H new ATOM 0 HD21 ASN A 95 9.156 -10.769 14.197 1.00 20.52 H new ATOM 0 HD22 ASN A 95 7.569 -10.490 13.473 1.00 20.52 H new ATOM 1408 N GLU A 96 7.996 -12.273 10.366 1.00 13.43 N ATOM 1409 CA GLU A 96 7.472 -13.631 10.563 1.00 50.03 C ATOM 1410 C GLU A 96 6.095 -13.859 9.917 1.00 34.30 C ATOM 1411 O GLU A 96 5.165 -14.376 10.559 1.00 73.54 O ATOM 1412 CB GLU A 96 7.484 -14.082 12.042 1.00 70.30 C ATOM 1413 CG GLU A 96 8.857 -14.480 12.602 1.00 44.14 C ATOM 1414 CD GLU A 96 9.830 -13.344 12.776 1.00 60.43 C ATOM 1415 OE1 GLU A 96 10.410 -12.868 11.779 1.00 13.43 O ATOM 1416 OE2 GLU A 96 10.054 -12.922 13.936 1.00 60.11 O ATOM 0 H GLU A 96 8.964 -12.262 10.044 1.00 13.43 H new ATOM 0 HA GLU A 96 8.174 -14.272 10.031 1.00 50.03 H new ATOM 0 HB2 GLU A 96 7.083 -13.274 12.653 1.00 70.30 H new ATOM 0 HB3 GLU A 96 6.807 -14.930 12.150 1.00 70.30 H new ATOM 0 HG2 GLU A 96 8.712 -14.964 13.568 1.00 44.14 H new ATOM 0 HG3 GLU A 96 9.302 -15.221 11.938 1.00 44.14 H new ATOM 1423 N GLY A 97 5.969 -13.458 8.661 1.00 4.42 N ATOM 1424 CA GLY A 97 4.741 -13.685 7.900 1.00 23.05 C ATOM 1425 C GLY A 97 3.636 -12.679 8.176 1.00 2.34 C ATOM 1426 O GLY A 97 2.602 -12.697 7.514 1.00 61.24 O ATOM 0 H GLY A 97 6.701 -12.973 8.143 1.00 4.42 H new ATOM 0 HA2 GLY A 97 4.978 -13.663 6.836 1.00 23.05 H new ATOM 0 HA3 GLY A 97 4.369 -14.685 8.123 1.00 23.05 H new ATOM 1430 N GLU A 98 3.844 -11.814 9.140 1.00 13.35 N ATOM 1431 CA GLU A 98 2.857 -10.830 9.498 1.00 32.14 C ATOM 1432 C GLU A 98 3.264 -9.487 8.935 1.00 52.03 C ATOM 1433 O GLU A 98 4.461 -9.163 8.888 1.00 22.33 O ATOM 1434 CB GLU A 98 2.728 -10.772 11.009 1.00 24.14 C ATOM 1435 CG GLU A 98 2.414 -12.128 11.611 1.00 55.23 C ATOM 1436 CD GLU A 98 2.280 -12.094 13.101 1.00 65.33 C ATOM 1437 OE1 GLU A 98 1.169 -11.836 13.615 1.00 71.21 O ATOM 1438 OE2 GLU A 98 3.288 -12.319 13.795 1.00 4.33 O ATOM 0 H GLU A 98 4.699 -11.774 9.695 1.00 13.35 H new ATOM 0 HA GLU A 98 1.887 -11.100 9.081 1.00 32.14 H new ATOM 0 HB2 GLU A 98 3.656 -10.393 11.437 1.00 24.14 H new ATOM 0 HB3 GLU A 98 1.942 -10.066 11.278 1.00 24.14 H new ATOM 0 HG2 GLU A 98 1.488 -12.505 11.178 1.00 55.23 H new ATOM 0 HG3 GLU A 98 3.202 -12.830 11.339 1.00 55.23 H new ATOM 1445 N PHE A 99 2.296 -8.720 8.505 1.00 62.03 N ATOM 1446 CA PHE A 99 2.559 -7.445 7.878 1.00 51.43 C ATOM 1447 C PHE A 99 2.228 -6.331 8.867 1.00 72.33 C ATOM 1448 O PHE A 99 1.069 -6.157 9.256 1.00 72.00 O ATOM 1449 CB PHE A 99 1.664 -7.284 6.623 1.00 12.00 C ATOM 1450 CG PHE A 99 1.709 -8.447 5.653 1.00 23.53 C ATOM 1451 CD1 PHE A 99 0.821 -9.511 5.785 1.00 44.23 C ATOM 1452 CD2 PHE A 99 2.627 -8.481 4.621 1.00 72.44 C ATOM 1453 CE1 PHE A 99 0.854 -10.576 4.907 1.00 63.25 C ATOM 1454 CE2 PHE A 99 2.664 -9.548 3.739 1.00 12.24 C ATOM 1455 CZ PHE A 99 1.777 -10.595 3.884 1.00 72.12 C ATOM 0 H PHE A 99 1.307 -8.957 8.578 1.00 62.03 H new ATOM 0 HA PHE A 99 3.608 -7.393 7.586 1.00 51.43 H new ATOM 0 HB2 PHE A 99 0.633 -7.139 6.946 1.00 12.00 H new ATOM 0 HB3 PHE A 99 1.963 -6.378 6.095 1.00 12.00 H new ATOM 0 HD1 PHE A 99 0.096 -9.503 6.586 1.00 44.23 H new ATOM 0 HD2 PHE A 99 3.324 -7.665 4.501 1.00 72.44 H new ATOM 0 HE1 PHE A 99 0.157 -11.393 5.022 1.00 63.25 H new ATOM 0 HE2 PHE A 99 3.387 -9.561 2.937 1.00 12.24 H new ATOM 0 HZ PHE A 99 1.806 -11.428 3.197 1.00 72.12 H new ATOM 1465 N GLU A 100 3.220 -5.582 9.237 1.00 73.11 N ATOM 1466 CA GLU A 100 3.073 -4.497 10.175 1.00 11.13 C ATOM 1467 C GLU A 100 3.316 -3.209 9.451 1.00 2.22 C ATOM 1468 O GLU A 100 4.332 -3.059 8.799 1.00 2.22 O ATOM 1469 CB GLU A 100 4.131 -4.588 11.269 1.00 50.01 C ATOM 1470 CG GLU A 100 4.127 -5.850 12.093 1.00 34.12 C ATOM 1471 CD GLU A 100 5.276 -5.862 13.067 1.00 41.30 C ATOM 1472 OE1 GLU A 100 5.291 -5.025 14.004 1.00 2.33 O ATOM 1473 OE2 GLU A 100 6.184 -6.700 12.927 1.00 62.14 O ATOM 0 H GLU A 100 4.173 -5.704 8.894 1.00 73.11 H new ATOM 0 HA GLU A 100 2.074 -4.547 10.609 1.00 11.13 H new ATOM 0 HB2 GLU A 100 5.112 -4.484 10.806 1.00 50.01 H new ATOM 0 HB3 GLU A 100 4.003 -3.739 11.941 1.00 50.01 H new ATOM 0 HG2 GLU A 100 3.185 -5.932 12.635 1.00 34.12 H new ATOM 0 HG3 GLU A 100 4.193 -6.718 11.436 1.00 34.12 H new ATOM 1480 N VAL A 101 2.423 -2.297 9.522 1.00 13.43 N ATOM 1481 CA VAL A 101 2.700 -1.023 8.947 1.00 24.23 C ATOM 1482 C VAL A 101 2.918 -0.056 10.064 1.00 30.14 C ATOM 1483 O VAL A 101 2.071 0.085 10.951 1.00 43.41 O ATOM 1484 CB VAL A 101 1.572 -0.532 8.019 1.00 3.34 C ATOM 1485 CG1 VAL A 101 1.913 0.824 7.401 1.00 14.44 C ATOM 1486 CG2 VAL A 101 1.318 -1.550 6.934 1.00 22.10 C ATOM 0 H VAL A 101 1.508 -2.397 9.962 1.00 13.43 H new ATOM 0 HA VAL A 101 3.589 -1.105 8.321 1.00 24.23 H new ATOM 0 HB VAL A 101 0.669 -0.410 8.617 1.00 3.34 H new ATOM 0 HG11 VAL A 101 1.098 1.143 6.752 1.00 14.44 H new ATOM 0 HG12 VAL A 101 2.055 1.559 8.193 1.00 14.44 H new ATOM 0 HG13 VAL A 101 2.829 0.738 6.817 1.00 14.44 H new ATOM 0 HG21 VAL A 101 0.519 -1.196 6.282 1.00 22.10 H new ATOM 0 HG22 VAL A 101 2.227 -1.693 6.349 1.00 22.10 H new ATOM 0 HG23 VAL A 101 1.024 -2.497 7.386 1.00 22.10 H new ATOM 1496 N VAL A 102 4.041 0.571 10.044 1.00 23.12 N ATOM 1497 CA VAL A 102 4.381 1.535 11.031 1.00 32.32 C ATOM 1498 C VAL A 102 4.416 2.872 10.347 1.00 63.54 C ATOM 1499 O VAL A 102 5.119 3.063 9.343 1.00 60.05 O ATOM 1500 CB VAL A 102 5.761 1.242 11.692 1.00 71.25 C ATOM 1501 CG1 VAL A 102 6.087 2.278 12.762 1.00 63.42 C ATOM 1502 CG2 VAL A 102 5.789 -0.164 12.289 1.00 14.30 C ATOM 0 H VAL A 102 4.758 0.427 9.333 1.00 23.12 H new ATOM 0 HA VAL A 102 3.642 1.509 11.832 1.00 32.32 H new ATOM 0 HB VAL A 102 6.522 1.303 10.914 1.00 71.25 H new ATOM 0 HG11 VAL A 102 7.055 2.049 13.207 1.00 63.42 H new ATOM 0 HG12 VAL A 102 6.120 3.269 12.310 1.00 63.42 H new ATOM 0 HG13 VAL A 102 5.319 2.257 13.535 1.00 63.42 H new ATOM 0 HG21 VAL A 102 6.762 -0.346 12.745 1.00 14.30 H new ATOM 0 HG22 VAL A 102 5.011 -0.253 13.047 1.00 14.30 H new ATOM 0 HG23 VAL A 102 5.614 -0.897 11.502 1.00 14.30 H new ATOM 1512 N ASP A 103 3.652 3.749 10.849 1.00 20.52 N ATOM 1513 CA ASP A 103 3.521 5.060 10.325 1.00 72.43 C ATOM 1514 C ASP A 103 4.193 6.044 11.233 1.00 11.22 C ATOM 1515 O ASP A 103 4.089 5.951 12.463 1.00 63.43 O ATOM 1516 CB ASP A 103 2.043 5.395 10.153 1.00 64.20 C ATOM 1517 CG ASP A 103 1.771 6.874 10.131 1.00 34.21 C ATOM 1518 OD1 ASP A 103 2.171 7.570 9.190 1.00 14.31 O ATOM 1519 OD2 ASP A 103 1.162 7.360 11.065 1.00 32.32 O ATOM 0 H ASP A 103 3.072 3.578 11.670 1.00 20.52 H new ATOM 0 HA ASP A 103 4.005 5.114 9.350 1.00 72.43 H new ATOM 0 HB2 ASP A 103 1.682 4.952 9.225 1.00 64.20 H new ATOM 0 HB3 ASP A 103 1.477 4.940 10.965 1.00 64.20 H new ATOM 1524 N VAL A 104 4.910 6.949 10.654 1.00 64.31 N ATOM 1525 CA VAL A 104 5.565 7.970 11.420 1.00 63.13 C ATOM 1526 C VAL A 104 5.023 9.343 11.056 1.00 15.22 C ATOM 1527 O VAL A 104 5.401 10.359 11.656 1.00 53.04 O ATOM 1528 CB VAL A 104 7.119 7.928 11.296 1.00 1.23 C ATOM 1529 CG1 VAL A 104 7.680 6.662 11.932 1.00 11.44 C ATOM 1530 CG2 VAL A 104 7.554 8.011 9.844 1.00 33.11 C ATOM 0 H VAL A 104 5.061 7.007 9.647 1.00 64.31 H new ATOM 0 HA VAL A 104 5.340 7.768 12.467 1.00 63.13 H new ATOM 0 HB VAL A 104 7.514 8.794 11.827 1.00 1.23 H new ATOM 0 HG11 VAL A 104 8.765 6.655 11.833 1.00 11.44 H new ATOM 0 HG12 VAL A 104 7.412 6.636 12.988 1.00 11.44 H new ATOM 0 HG13 VAL A 104 7.265 5.788 11.430 1.00 11.44 H new ATOM 0 HG21 VAL A 104 8.642 7.980 9.788 1.00 33.11 H new ATOM 0 HG22 VAL A 104 7.138 7.169 9.291 1.00 33.11 H new ATOM 0 HG23 VAL A 104 7.195 8.944 9.409 1.00 33.11 H new ATOM 1540 N GLY A 105 4.079 9.368 10.137 1.00 4.34 N ATOM 1541 CA GLY A 105 3.531 10.602 9.675 1.00 0.42 C ATOM 1542 C GLY A 105 2.084 10.752 10.050 1.00 40.32 C ATOM 1543 O GLY A 105 1.312 11.364 9.314 1.00 63.14 O ATOM 0 H GLY A 105 3.681 8.536 9.701 1.00 4.34 H new ATOM 0 HA2 GLY A 105 4.102 11.431 10.094 1.00 0.42 H new ATOM 0 HA3 GLY A 105 3.632 10.660 8.591 1.00 0.42 H new ATOM 1547 N SER A 106 1.732 10.232 11.218 1.00 30.10 N ATOM 1548 CA SER A 106 0.372 10.257 11.773 1.00 3.52 C ATOM 1549 C SER A 106 -0.205 11.682 11.765 1.00 43.21 C ATOM 1550 O SER A 106 -1.399 11.900 11.501 1.00 61.22 O ATOM 1551 CB SER A 106 0.461 9.744 13.208 1.00 52.12 C ATOM 1552 OG SER A 106 1.320 8.610 13.265 1.00 14.53 O ATOM 0 H SER A 106 2.401 9.765 11.830 1.00 30.10 H new ATOM 0 HA SER A 106 -0.288 9.635 11.169 1.00 3.52 H new ATOM 0 HB2 SER A 106 0.839 10.530 13.862 1.00 52.12 H new ATOM 0 HB3 SER A 106 -0.532 9.478 13.570 1.00 52.12 H new ATOM 0 HG SER A 106 1.007 7.930 12.632 1.00 14.53 H new ATOM 1558 N LEU A 107 0.676 12.644 11.978 1.00 22.41 N ATOM 1559 CA LEU A 107 0.325 14.046 12.042 1.00 54.41 C ATOM 1560 C LEU A 107 -0.139 14.560 10.683 1.00 13.53 C ATOM 1561 O LEU A 107 -0.923 15.490 10.608 1.00 33.52 O ATOM 1562 CB LEU A 107 1.509 14.911 12.534 1.00 1.34 C ATOM 1563 CG LEU A 107 2.076 14.654 13.950 1.00 53.11 C ATOM 1564 CD1 LEU A 107 2.831 13.330 14.036 1.00 24.41 C ATOM 1565 CD2 LEU A 107 2.971 15.806 14.374 1.00 2.53 C ATOM 0 H LEU A 107 1.671 12.466 12.113 1.00 22.41 H new ATOM 0 HA LEU A 107 -0.492 14.131 12.758 1.00 54.41 H new ATOM 0 HB2 LEU A 107 2.326 14.789 11.823 1.00 1.34 H new ATOM 0 HB3 LEU A 107 1.199 15.955 12.486 1.00 1.34 H new ATOM 0 HG LEU A 107 1.230 14.587 14.634 1.00 53.11 H new ATOM 0 HD11 LEU A 107 3.211 13.193 15.048 1.00 24.41 H new ATOM 0 HD12 LEU A 107 2.157 12.510 13.787 1.00 24.41 H new ATOM 0 HD13 LEU A 107 3.665 13.340 13.334 1.00 24.41 H new ATOM 0 HD21 LEU A 107 3.364 15.613 15.372 1.00 2.53 H new ATOM 0 HD22 LEU A 107 3.798 15.902 13.671 1.00 2.53 H new ATOM 0 HD23 LEU A 107 2.394 16.731 14.384 1.00 2.53 H new ATOM 1577 N ASN A 108 0.283 13.900 9.621 1.00 75.43 N ATOM 1578 CA ASN A 108 -0.031 14.363 8.272 1.00 55.22 C ATOM 1579 C ASN A 108 -1.376 13.803 7.838 1.00 44.24 C ATOM 1580 O ASN A 108 -2.024 14.318 6.937 1.00 72.12 O ATOM 1581 CB ASN A 108 1.063 13.946 7.276 1.00 64.01 C ATOM 1582 CG ASN A 108 0.908 14.636 5.932 1.00 62.42 C ATOM 1583 OD1 ASN A 108 0.420 15.761 5.868 1.00 1.41 O ATOM 1584 ND2 ASN A 108 1.335 13.985 4.867 1.00 24.42 N ATOM 0 H ASN A 108 0.841 13.047 9.660 1.00 75.43 H new ATOM 0 HA ASN A 108 -0.079 15.452 8.283 1.00 55.22 H new ATOM 0 HB2 ASN A 108 2.042 14.183 7.693 1.00 64.01 H new ATOM 0 HB3 ASN A 108 1.030 12.866 7.134 1.00 64.01 H new ATOM 0 HD21 ASN A 108 1.266 14.415 3.945 1.00 24.42 H new ATOM 0 HD22 ASN A 108 1.734 13.051 4.966 1.00 24.42 H new ATOM 1591 N GLY A 109 -1.814 12.769 8.506 1.00 54.04 N ATOM 1592 CA GLY A 109 -3.113 12.251 8.212 1.00 43.03 C ATOM 1593 C GLY A 109 -3.107 10.830 7.732 1.00 71.23 C ATOM 1594 O GLY A 109 -3.738 10.513 6.719 1.00 13.10 O ATOM 0 H GLY A 109 -1.300 12.282 9.240 1.00 54.04 H new ATOM 0 HA2 GLY A 109 -3.732 12.319 9.107 1.00 43.03 H new ATOM 0 HA3 GLY A 109 -3.580 12.878 7.453 1.00 43.03 H new ATOM 1598 N THR A 110 -2.374 9.983 8.404 1.00 42.31 N ATOM 1599 CA THR A 110 -2.433 8.585 8.119 1.00 30.03 C ATOM 1600 C THR A 110 -3.703 8.004 8.749 1.00 33.14 C ATOM 1601 O THR A 110 -3.976 8.216 9.944 1.00 22.52 O ATOM 1602 CB THR A 110 -1.240 7.910 8.755 1.00 30.52 C ATOM 1603 OG1 THR A 110 -0.100 8.753 8.541 1.00 2.14 O ATOM 1604 CG2 THR A 110 -1.005 6.543 8.117 1.00 1.14 C ATOM 0 H THR A 110 -1.731 10.242 9.152 1.00 42.31 H new ATOM 0 HA THR A 110 -2.435 8.425 7.041 1.00 30.03 H new ATOM 0 HB THR A 110 -1.412 7.760 9.821 1.00 30.52 H new ATOM 0 HG1 THR A 110 -0.062 9.019 7.599 1.00 2.14 H new ATOM 0 HG21 THR A 110 -0.143 6.067 8.584 1.00 1.14 H new ATOM 0 HG22 THR A 110 -1.886 5.918 8.261 1.00 1.14 H new ATOM 0 HG23 THR A 110 -0.818 6.667 7.050 1.00 1.14 H new ATOM 1612 N TYR A 111 -4.470 7.290 7.972 1.00 63.22 N ATOM 1613 CA TYR A 111 -5.686 6.684 8.479 1.00 4.43 C ATOM 1614 C TYR A 111 -5.793 5.268 8.007 1.00 41.33 C ATOM 1615 O TYR A 111 -5.345 4.949 6.933 1.00 64.32 O ATOM 1616 CB TYR A 111 -6.948 7.488 8.086 1.00 51.43 C ATOM 1617 CG TYR A 111 -7.023 8.856 8.731 1.00 1.43 C ATOM 1618 CD1 TYR A 111 -7.615 9.026 9.967 1.00 2.31 C ATOM 1619 CD2 TYR A 111 -6.480 9.966 8.114 1.00 4.24 C ATOM 1620 CE1 TYR A 111 -7.665 10.264 10.568 1.00 42.12 C ATOM 1621 CE2 TYR A 111 -6.520 11.208 8.709 1.00 25.00 C ATOM 1622 CZ TYR A 111 -7.113 11.350 9.934 1.00 21.33 C ATOM 1623 OH TYR A 111 -7.155 12.587 10.534 1.00 25.12 O ATOM 0 H TYR A 111 -4.282 7.109 6.986 1.00 63.22 H new ATOM 0 HA TYR A 111 -5.628 6.694 9.567 1.00 4.43 H new ATOM 0 HB2 TYR A 111 -6.971 7.605 7.003 1.00 51.43 H new ATOM 0 HB3 TYR A 111 -7.833 6.916 8.363 1.00 51.43 H new ATOM 0 HD1 TYR A 111 -8.046 8.174 10.471 1.00 2.31 H new ATOM 0 HD2 TYR A 111 -6.015 9.858 7.145 1.00 4.24 H new ATOM 0 HE1 TYR A 111 -8.136 10.380 11.533 1.00 42.12 H new ATOM 0 HE2 TYR A 111 -6.086 12.063 8.212 1.00 25.00 H new ATOM 0 HH TYR A 111 -6.720 13.247 9.954 1.00 25.12 H new ATOM 1633 N VAL A 112 -6.322 4.425 8.835 1.00 64.34 N ATOM 1634 CA VAL A 112 -6.549 3.038 8.508 1.00 71.51 C ATOM 1635 C VAL A 112 -7.981 2.737 8.877 1.00 55.01 C ATOM 1636 O VAL A 112 -8.345 2.862 10.057 1.00 12.51 O ATOM 1637 CB VAL A 112 -5.627 2.090 9.329 1.00 11.44 C ATOM 1638 CG1 VAL A 112 -5.816 0.639 8.895 1.00 4.10 C ATOM 1639 CG2 VAL A 112 -4.164 2.502 9.218 1.00 53.41 C ATOM 0 H VAL A 112 -6.617 4.678 9.778 1.00 64.34 H new ATOM 0 HA VAL A 112 -6.338 2.876 7.451 1.00 71.51 H new ATOM 0 HB VAL A 112 -5.916 2.174 10.377 1.00 11.44 H new ATOM 0 HG11 VAL A 112 -5.161 -0.005 9.483 1.00 4.10 H new ATOM 0 HG12 VAL A 112 -6.853 0.344 9.054 1.00 4.10 H new ATOM 0 HG13 VAL A 112 -5.569 0.540 7.838 1.00 4.10 H new ATOM 0 HG21 VAL A 112 -3.548 1.819 9.803 1.00 53.41 H new ATOM 0 HG22 VAL A 112 -3.854 2.466 8.174 1.00 53.41 H new ATOM 0 HG23 VAL A 112 -4.042 3.516 9.598 1.00 53.41 H new ATOM 1649 N ASN A 113 -8.791 2.381 7.891 1.00 43.01 N ATOM 1650 CA ASN A 113 -10.232 2.097 8.105 1.00 21.32 C ATOM 1651 C ASN A 113 -10.915 3.305 8.738 1.00 33.40 C ATOM 1652 O ASN A 113 -11.702 3.170 9.678 1.00 3.31 O ATOM 1653 CB ASN A 113 -10.446 0.843 8.995 1.00 14.23 C ATOM 1654 CG ASN A 113 -10.004 -0.450 8.341 1.00 54.32 C ATOM 1655 OD1 ASN A 113 -10.066 -0.596 7.121 1.00 31.12 O ATOM 1656 ND2 ASN A 113 -9.553 -1.401 9.142 1.00 21.20 N ATOM 0 H ASN A 113 -8.487 2.277 6.923 1.00 43.01 H new ATOM 0 HA ASN A 113 -10.677 1.894 7.131 1.00 21.32 H new ATOM 0 HB2 ASN A 113 -9.899 0.973 9.929 1.00 14.23 H new ATOM 0 HB3 ASN A 113 -11.502 0.767 9.253 1.00 14.23 H new ATOM 0 HD21 ASN A 113 -9.242 -2.291 8.752 1.00 21.20 H new ATOM 0 HD22 ASN A 113 -9.516 -1.244 10.149 1.00 21.20 H new ATOM 1663 N ARG A 114 -10.613 4.489 8.182 1.00 43.12 N ATOM 1664 CA ARG A 114 -11.096 5.774 8.623 1.00 61.42 C ATOM 1665 C ARG A 114 -10.659 6.148 10.083 1.00 2.13 C ATOM 1666 O ARG A 114 -11.073 7.175 10.624 1.00 73.40 O ATOM 1667 CB ARG A 114 -12.606 5.814 8.394 1.00 22.54 C ATOM 1668 CG ARG A 114 -13.224 7.169 8.451 1.00 30.11 C ATOM 1669 CD ARG A 114 -13.955 7.408 9.760 1.00 52.20 C ATOM 1670 NE ARG A 114 -14.491 8.767 9.859 1.00 14.02 N ATOM 1671 CZ ARG A 114 -14.341 9.577 10.930 1.00 21.33 C ATOM 1672 NH1 ARG A 114 -13.709 9.145 12.014 1.00 73.41 N ATOM 1673 NH2 ARG A 114 -14.844 10.804 10.914 1.00 41.31 N ATOM 0 H ARG A 114 -9.994 4.562 7.374 1.00 43.12 H new ATOM 0 HA ARG A 114 -10.627 6.558 8.029 1.00 61.42 H new ATOM 0 HB2 ARG A 114 -12.821 5.376 7.419 1.00 22.54 H new ATOM 0 HB3 ARG A 114 -13.087 5.182 9.141 1.00 22.54 H new ATOM 0 HG2 ARG A 114 -12.450 7.926 8.325 1.00 30.11 H new ATOM 0 HG3 ARG A 114 -13.921 7.285 7.621 1.00 30.11 H new ATOM 0 HD2 ARG A 114 -14.770 6.691 9.854 1.00 52.20 H new ATOM 0 HD3 ARG A 114 -13.274 7.227 10.592 1.00 52.20 H new ATOM 0 HE ARG A 114 -15.015 9.128 9.062 1.00 14.02 H new ATOM 0 HH11 ARG A 114 -13.333 8.197 12.042 1.00 73.41 H new ATOM 0 HH12 ARG A 114 -13.599 9.761 12.820 1.00 73.41 H new ATOM 0 HH21 ARG A 114 -15.346 11.139 10.092 1.00 41.31 H new ATOM 0 HH22 ARG A 114 -14.729 11.413 11.724 1.00 41.31 H new ATOM 1687 N GLU A 115 -9.780 5.375 10.671 1.00 20.43 N ATOM 1688 CA GLU A 115 -9.310 5.660 12.016 1.00 52.22 C ATOM 1689 C GLU A 115 -7.835 6.016 11.995 1.00 51.13 C ATOM 1690 O GLU A 115 -7.058 5.379 11.291 1.00 2.42 O ATOM 1691 CB GLU A 115 -9.508 4.466 12.927 1.00 65.42 C ATOM 1692 CG GLU A 115 -10.941 4.034 13.112 1.00 34.53 C ATOM 1693 CD GLU A 115 -11.032 2.842 14.008 1.00 62.24 C ATOM 1694 OE1 GLU A 115 -11.073 3.012 15.238 1.00 2.14 O ATOM 1695 OE2 GLU A 115 -11.038 1.703 13.499 1.00 14.41 O ATOM 0 H GLU A 115 -9.372 4.543 10.245 1.00 20.43 H new ATOM 0 HA GLU A 115 -9.891 6.501 12.395 1.00 52.22 H new ATOM 0 HB2 GLU A 115 -8.940 3.626 12.528 1.00 65.42 H new ATOM 0 HB3 GLU A 115 -9.086 4.700 13.904 1.00 65.42 H new ATOM 0 HG2 GLU A 115 -11.520 4.855 13.534 1.00 34.53 H new ATOM 0 HG3 GLU A 115 -11.381 3.799 12.143 1.00 34.53 H new ATOM 1702 N PRO A 116 -7.427 7.042 12.738 1.00 70.35 N ATOM 1703 CA PRO A 116 -6.020 7.420 12.830 1.00 5.54 C ATOM 1704 C PRO A 116 -5.204 6.350 13.574 1.00 41.50 C ATOM 1705 O PRO A 116 -5.658 5.789 14.594 1.00 24.03 O ATOM 1706 CB PRO A 116 -6.040 8.741 13.609 1.00 70.42 C ATOM 1707 CG PRO A 116 -7.347 8.758 14.335 1.00 33.42 C ATOM 1708 CD PRO A 116 -8.303 7.926 13.533 1.00 32.12 C ATOM 0 HA PRO A 116 -5.550 7.519 11.852 1.00 5.54 H new ATOM 0 HB2 PRO A 116 -5.204 8.798 14.306 1.00 70.42 H new ATOM 0 HB3 PRO A 116 -5.954 9.594 12.936 1.00 70.42 H new ATOM 0 HG2 PRO A 116 -7.235 8.355 15.341 1.00 33.42 H new ATOM 0 HG3 PRO A 116 -7.717 9.778 14.440 1.00 33.42 H new ATOM 0 HD2 PRO A 116 -8.970 7.353 14.177 1.00 32.12 H new ATOM 0 HD3 PRO A 116 -8.932 8.545 12.893 1.00 32.12 H new ATOM 1716 N ARG A 117 -4.030 6.065 13.067 1.00 24.11 N ATOM 1717 CA ARG A 117 -3.162 5.040 13.615 1.00 24.32 C ATOM 1718 C ARG A 117 -1.722 5.463 13.552 1.00 2.15 C ATOM 1719 O ARG A 117 -1.385 6.409 12.858 1.00 14.25 O ATOM 1720 CB ARG A 117 -3.335 3.715 12.859 1.00 32.03 C ATOM 1721 CG ARG A 117 -4.439 2.811 13.378 1.00 20.54 C ATOM 1722 CD ARG A 117 -4.053 2.216 14.723 1.00 0.51 C ATOM 1723 NE ARG A 117 -5.033 1.250 15.212 1.00 61.42 N ATOM 1724 CZ ARG A 117 -4.744 0.042 15.741 1.00 13.11 C ATOM 1725 NH1 ARG A 117 -3.476 -0.400 15.786 1.00 53.04 N ATOM 1726 NH2 ARG A 117 -5.724 -0.729 16.201 1.00 62.31 N ATOM 0 H ARG A 117 -3.641 6.541 12.253 1.00 24.11 H new ATOM 0 HA ARG A 117 -3.445 4.897 14.658 1.00 24.32 H new ATOM 0 HB2 ARG A 117 -3.533 3.937 11.810 1.00 32.03 H new ATOM 0 HB3 ARG A 117 -2.393 3.168 12.897 1.00 32.03 H new ATOM 0 HG2 ARG A 117 -5.365 3.378 13.477 1.00 20.54 H new ATOM 0 HG3 ARG A 117 -4.630 2.012 12.662 1.00 20.54 H new ATOM 0 HD2 ARG A 117 -3.081 1.730 14.636 1.00 0.51 H new ATOM 0 HD3 ARG A 117 -3.943 3.018 15.453 1.00 0.51 H new ATOM 0 HE ARG A 117 -6.017 1.509 15.149 1.00 61.42 H new ATOM 0 HH11 ARG A 117 -2.721 0.179 15.418 1.00 53.04 H new ATOM 0 HH12 ARG A 117 -3.269 -1.314 16.188 1.00 53.04 H new ATOM 0 HH21 ARG A 117 -6.691 -0.407 16.154 1.00 62.31 H new ATOM 0 HH22 ARG A 117 -5.509 -1.642 16.601 1.00 62.31 H new ATOM 1740 N ASN A 118 -0.904 4.760 14.296 1.00 35.51 N ATOM 1741 CA ASN A 118 0.538 4.966 14.320 1.00 30.50 C ATOM 1742 C ASN A 118 1.207 3.700 13.822 1.00 32.22 C ATOM 1743 O ASN A 118 2.214 3.728 13.145 1.00 63.43 O ATOM 1744 CB ASN A 118 1.020 5.273 15.747 1.00 51.32 C ATOM 1745 CG ASN A 118 0.400 6.529 16.341 1.00 70.24 C ATOM 1746 OD1 ASN A 118 -0.669 6.480 16.969 1.00 43.24 O ATOM 1747 ND2 ASN A 118 1.048 7.642 16.172 1.00 13.12 N ATOM 0 H ASN A 118 -1.219 4.014 14.916 1.00 35.51 H new ATOM 0 HA ASN A 118 0.794 5.813 13.684 1.00 30.50 H new ATOM 0 HB2 ASN A 118 0.789 4.424 16.390 1.00 51.32 H new ATOM 0 HB3 ASN A 118 2.105 5.381 15.740 1.00 51.32 H new ATOM 0 HD21 ASN A 118 0.680 8.510 16.561 1.00 13.12 H new ATOM 0 HD22 ASN A 118 1.925 7.648 15.650 1.00 13.12 H new ATOM 1754 N ALA A 119 0.641 2.579 14.194 1.00 2.10 N ATOM 1755 CA ALA A 119 1.079 1.293 13.733 1.00 63.25 C ATOM 1756 C ALA A 119 -0.140 0.420 13.620 1.00 73.51 C ATOM 1757 O ALA A 119 -1.062 0.529 14.450 1.00 53.15 O ATOM 1758 CB ALA A 119 2.103 0.681 14.683 1.00 73.41 C ATOM 0 H ALA A 119 -0.150 2.538 14.837 1.00 2.10 H new ATOM 0 HA ALA A 119 1.573 1.388 12.766 1.00 63.25 H new ATOM 0 HB1 ALA A 119 2.414 -0.293 14.305 1.00 73.41 H new ATOM 0 HB2 ALA A 119 2.971 1.337 14.754 1.00 73.41 H new ATOM 0 HB3 ALA A 119 1.657 0.561 15.670 1.00 73.41 H new ATOM 1764 N GLN A 120 -0.204 -0.375 12.590 1.00 34.04 N ATOM 1765 CA GLN A 120 -1.356 -1.211 12.380 1.00 13.03 C ATOM 1766 C GLN A 120 -0.944 -2.457 11.598 1.00 22.22 C ATOM 1767 O GLN A 120 -0.221 -2.357 10.595 1.00 34.25 O ATOM 1768 CB GLN A 120 -2.435 -0.397 11.616 1.00 1.32 C ATOM 1769 CG GLN A 120 -3.874 -0.603 12.106 1.00 13.51 C ATOM 1770 CD GLN A 120 -4.458 -1.964 11.816 1.00 40.14 C ATOM 1771 OE1 GLN A 120 -5.240 -2.477 12.597 1.00 64.22 O ATOM 1772 NE2 GLN A 120 -4.199 -2.492 10.659 1.00 11.40 N ATOM 0 H GLN A 120 0.525 -0.463 11.883 1.00 34.04 H new ATOM 0 HA GLN A 120 -1.773 -1.533 13.334 1.00 13.03 H new ATOM 0 HB2 GLN A 120 -2.190 0.662 11.692 1.00 1.32 H new ATOM 0 HB3 GLN A 120 -2.386 -0.661 10.559 1.00 1.32 H new ATOM 0 HG2 GLN A 120 -3.903 -0.434 13.182 1.00 13.51 H new ATOM 0 HG3 GLN A 120 -4.510 0.154 11.647 1.00 13.51 H new ATOM 0 HE21 GLN A 120 -3.539 -2.038 10.027 1.00 11.40 H new ATOM 0 HE22 GLN A 120 -4.655 -3.361 10.381 1.00 11.40 H new ATOM 1781 N VAL A 121 -1.334 -3.610 12.086 1.00 63.42 N ATOM 1782 CA VAL A 121 -1.103 -4.863 11.383 1.00 5.12 C ATOM 1783 C VAL A 121 -2.224 -5.018 10.373 1.00 14.34 C ATOM 1784 O VAL A 121 -3.394 -5.111 10.753 1.00 40.51 O ATOM 1785 CB VAL A 121 -1.069 -6.069 12.359 1.00 44.33 C ATOM 1786 CG1 VAL A 121 -0.851 -7.376 11.608 1.00 51.02 C ATOM 1787 CG2 VAL A 121 0.026 -5.871 13.397 1.00 65.35 C ATOM 0 H VAL A 121 -1.819 -3.713 12.977 1.00 63.42 H new ATOM 0 HA VAL A 121 -0.132 -4.843 10.888 1.00 5.12 H new ATOM 0 HB VAL A 121 -2.034 -6.125 12.864 1.00 44.33 H new ATOM 0 HG11 VAL A 121 -0.831 -8.204 12.317 1.00 51.02 H new ATOM 0 HG12 VAL A 121 -1.663 -7.526 10.896 1.00 51.02 H new ATOM 0 HG13 VAL A 121 0.098 -7.334 11.073 1.00 51.02 H new ATOM 0 HG21 VAL A 121 0.041 -6.723 14.077 1.00 65.35 H new ATOM 0 HG22 VAL A 121 0.991 -5.789 12.897 1.00 65.35 H new ATOM 0 HG23 VAL A 121 -0.169 -4.959 13.962 1.00 65.35 H new ATOM 1797 N MET A 122 -1.883 -5.062 9.112 1.00 44.52 N ATOM 1798 CA MET A 122 -2.900 -4.940 8.077 1.00 62.14 C ATOM 1799 C MET A 122 -3.494 -6.256 7.685 1.00 42.30 C ATOM 1800 O MET A 122 -2.818 -7.297 7.664 1.00 24.40 O ATOM 1801 CB MET A 122 -2.372 -4.213 6.846 1.00 63.50 C ATOM 1802 CG MET A 122 -1.843 -2.823 7.125 1.00 50.03 C ATOM 1803 SD MET A 122 -3.028 -1.729 7.931 1.00 4.13 S ATOM 1804 CE MET A 122 -2.066 -0.240 8.052 1.00 31.43 C ATOM 0 H MET A 122 -0.929 -5.179 8.771 1.00 44.52 H new ATOM 0 HA MET A 122 -3.697 -4.342 8.519 1.00 62.14 H new ATOM 0 HB2 MET A 122 -1.576 -4.809 6.399 1.00 63.50 H new ATOM 0 HB3 MET A 122 -3.171 -4.144 6.108 1.00 63.50 H new ATOM 0 HG2 MET A 122 -0.955 -2.903 7.752 1.00 50.03 H new ATOM 0 HG3 MET A 122 -1.529 -2.370 6.184 1.00 50.03 H new ATOM 0 HE1 MET A 122 -2.732 0.623 8.064 1.00 31.43 H new ATOM 0 HE2 MET A 122 -1.480 -0.259 8.971 1.00 31.43 H new ATOM 0 HE3 MET A 122 -1.396 -0.169 7.195 1.00 31.43 H new ATOM 1814 N GLN A 123 -4.758 -6.196 7.384 1.00 72.53 N ATOM 1815 CA GLN A 123 -5.557 -7.322 7.030 1.00 71.34 C ATOM 1816 C GLN A 123 -6.280 -6.974 5.740 1.00 23.11 C ATOM 1817 O GLN A 123 -6.492 -5.809 5.454 1.00 41.22 O ATOM 1818 CB GLN A 123 -6.566 -7.613 8.143 1.00 24.11 C ATOM 1819 CG GLN A 123 -5.942 -7.908 9.496 1.00 75.32 C ATOM 1820 CD GLN A 123 -6.977 -8.068 10.581 1.00 5.44 C ATOM 1821 OE1 GLN A 123 -7.357 -7.104 11.243 1.00 33.25 O ATOM 1822 NE2 GLN A 123 -7.449 -9.265 10.771 1.00 61.24 N ATOM 0 H GLN A 123 -5.279 -5.319 7.380 1.00 72.53 H new ATOM 0 HA GLN A 123 -4.941 -8.211 6.894 1.00 71.34 H new ATOM 0 HB2 GLN A 123 -7.234 -6.758 8.244 1.00 24.11 H new ATOM 0 HB3 GLN A 123 -7.180 -8.464 7.847 1.00 24.11 H new ATOM 0 HG2 GLN A 123 -5.346 -8.818 9.428 1.00 75.32 H new ATOM 0 HG3 GLN A 123 -5.261 -7.100 9.763 1.00 75.32 H new ATOM 0 HE21 GLN A 123 -7.111 -10.042 10.204 1.00 61.24 H new ATOM 0 HE22 GLN A 123 -8.157 -9.426 11.487 1.00 61.24 H new ATOM 1831 N THR A 124 -6.672 -7.955 4.981 1.00 31.34 N ATOM 1832 CA THR A 124 -7.296 -7.688 3.709 1.00 4.23 C ATOM 1833 C THR A 124 -8.617 -6.915 3.884 1.00 11.02 C ATOM 1834 O THR A 124 -9.434 -7.227 4.759 1.00 55.34 O ATOM 1835 CB THR A 124 -7.494 -8.980 2.864 1.00 22.41 C ATOM 1836 OG1 THR A 124 -8.011 -8.676 1.556 1.00 53.34 O ATOM 1837 CG2 THR A 124 -8.409 -9.968 3.550 1.00 71.31 C ATOM 0 H THR A 124 -6.574 -8.943 5.214 1.00 31.34 H new ATOM 0 HA THR A 124 -6.612 -7.052 3.148 1.00 4.23 H new ATOM 0 HB THR A 124 -6.509 -9.436 2.761 1.00 22.41 H new ATOM 0 HG1 THR A 124 -8.873 -9.126 1.432 1.00 53.34 H new ATOM 0 HG21 THR A 124 -8.520 -10.855 2.926 1.00 71.31 H new ATOM 0 HG22 THR A 124 -7.982 -10.252 4.512 1.00 71.31 H new ATOM 0 HG23 THR A 124 -9.386 -9.511 3.707 1.00 71.31 H new ATOM 1845 N GLY A 125 -8.778 -5.902 3.072 1.00 71.40 N ATOM 1846 CA GLY A 125 -9.954 -5.083 3.091 1.00 30.14 C ATOM 1847 C GLY A 125 -9.760 -3.763 3.807 1.00 14.01 C ATOM 1848 O GLY A 125 -10.647 -2.896 3.747 1.00 35.43 O ATOM 0 H GLY A 125 -8.088 -5.623 2.374 1.00 71.40 H new ATOM 0 HA2 GLY A 125 -10.268 -4.888 2.066 1.00 30.14 H new ATOM 0 HA3 GLY A 125 -10.762 -5.633 3.573 1.00 30.14 H new ATOM 1852 N ASP A 126 -8.616 -3.564 4.458 1.00 2.10 N ATOM 1853 CA ASP A 126 -8.375 -2.283 5.071 1.00 42.35 C ATOM 1854 C ASP A 126 -7.833 -1.300 4.096 1.00 74.33 C ATOM 1855 O ASP A 126 -7.234 -1.662 3.075 1.00 4.34 O ATOM 1856 CB ASP A 126 -7.538 -2.286 6.370 1.00 75.44 C ATOM 1857 CG ASP A 126 -6.157 -2.889 6.307 1.00 72.24 C ATOM 1858 OD1 ASP A 126 -5.375 -2.526 5.438 1.00 13.52 O ATOM 1859 OD2 ASP A 126 -5.856 -3.740 7.195 1.00 33.33 O ATOM 0 H ASP A 126 -7.872 -4.253 4.567 1.00 2.10 H new ATOM 0 HA ASP A 126 -9.369 -1.973 5.395 1.00 42.35 H new ATOM 0 HB2 ASP A 126 -7.440 -1.255 6.709 1.00 75.44 H new ATOM 0 HB3 ASP A 126 -8.104 -2.820 7.133 1.00 75.44 H new ATOM 1864 N GLU A 127 -8.113 -0.073 4.367 1.00 70.20 N ATOM 1865 CA GLU A 127 -7.668 0.995 3.554 1.00 31.04 C ATOM 1866 C GLU A 127 -6.851 1.959 4.366 1.00 31.54 C ATOM 1867 O GLU A 127 -7.256 2.394 5.460 1.00 22.13 O ATOM 1868 CB GLU A 127 -8.836 1.665 2.848 1.00 14.24 C ATOM 1869 CG GLU A 127 -9.972 2.033 3.767 1.00 71.25 C ATOM 1870 CD GLU A 127 -11.164 2.510 3.014 1.00 42.23 C ATOM 1871 OE1 GLU A 127 -11.572 1.829 2.057 1.00 51.31 O ATOM 1872 OE2 GLU A 127 -11.756 3.540 3.396 1.00 0.43 O ATOM 0 H GLU A 127 -8.666 0.217 5.173 1.00 70.20 H new ATOM 0 HA GLU A 127 -7.020 0.602 2.771 1.00 31.04 H new ATOM 0 HB2 GLU A 127 -8.478 2.566 2.349 1.00 14.24 H new ATOM 0 HB3 GLU A 127 -9.210 0.998 2.072 1.00 14.24 H new ATOM 0 HG2 GLU A 127 -10.246 1.167 4.370 1.00 71.25 H new ATOM 0 HG3 GLU A 127 -9.643 2.810 4.457 1.00 71.25 H new ATOM 1879 N ILE A 128 -5.709 2.251 3.847 1.00 3.21 N ATOM 1880 CA ILE A 128 -4.753 3.104 4.464 1.00 21.54 C ATOM 1881 C ILE A 128 -4.738 4.405 3.678 1.00 2.43 C ATOM 1882 O ILE A 128 -4.684 4.385 2.451 1.00 33.33 O ATOM 1883 CB ILE A 128 -3.331 2.477 4.377 1.00 74.23 C ATOM 1884 CG1 ILE A 128 -3.369 0.980 4.727 1.00 41.54 C ATOM 1885 CG2 ILE A 128 -2.379 3.212 5.329 1.00 71.45 C ATOM 1886 CD1 ILE A 128 -2.067 0.250 4.447 1.00 45.32 C ATOM 0 H ILE A 128 -5.403 1.887 2.944 1.00 3.21 H new ATOM 0 HA ILE A 128 -5.014 3.257 5.511 1.00 21.54 H new ATOM 0 HB ILE A 128 -2.971 2.581 3.353 1.00 74.23 H new ATOM 0 HG12 ILE A 128 -3.616 0.870 5.783 1.00 41.54 H new ATOM 0 HG13 ILE A 128 -4.170 0.505 4.161 1.00 41.54 H new ATOM 0 HG21 ILE A 128 -1.385 2.769 5.264 1.00 71.45 H new ATOM 0 HG22 ILE A 128 -2.326 4.264 5.050 1.00 71.45 H new ATOM 0 HG23 ILE A 128 -2.748 3.126 6.351 1.00 71.45 H new ATOM 0 HD11 ILE A 128 -2.173 -0.800 4.720 1.00 45.32 H new ATOM 0 HD12 ILE A 128 -1.827 0.327 3.386 1.00 45.32 H new ATOM 0 HD13 ILE A 128 -1.265 0.698 5.034 1.00 45.32 H new ATOM 1898 N GLN A 129 -4.804 5.500 4.349 1.00 24.42 N ATOM 1899 CA GLN A 129 -4.754 6.774 3.704 1.00 35.34 C ATOM 1900 C GLN A 129 -3.385 7.365 3.928 1.00 34.13 C ATOM 1901 O GLN A 129 -2.946 7.519 5.080 1.00 51.34 O ATOM 1902 CB GLN A 129 -5.822 7.733 4.250 1.00 35.31 C ATOM 1903 CG GLN A 129 -5.888 9.059 3.491 1.00 2.31 C ATOM 1904 CD GLN A 129 -6.827 10.068 4.118 1.00 31.22 C ATOM 1905 OE1 GLN A 129 -8.013 10.107 3.816 1.00 52.40 O ATOM 1906 NE2 GLN A 129 -6.298 10.909 4.964 1.00 71.42 N ATOM 0 H GLN A 129 -4.895 5.543 5.364 1.00 24.42 H new ATOM 0 HA GLN A 129 -4.951 6.635 2.641 1.00 35.34 H new ATOM 0 HB2 GLN A 129 -6.796 7.246 4.203 1.00 35.31 H new ATOM 0 HB3 GLN A 129 -5.617 7.934 5.302 1.00 35.31 H new ATOM 0 HG2 GLN A 129 -4.888 9.489 3.439 1.00 2.31 H new ATOM 0 HG3 GLN A 129 -6.206 8.867 2.466 1.00 2.31 H new ATOM 0 HE21 GLN A 129 -5.306 10.847 5.192 1.00 71.42 H new ATOM 0 HE22 GLN A 129 -6.877 11.629 5.397 1.00 71.42 H new ATOM 1915 N ILE A 130 -2.722 7.661 2.842 1.00 2.44 N ATOM 1916 CA ILE A 130 -1.419 8.263 2.850 1.00 23.33 C ATOM 1917 C ILE A 130 -1.596 9.680 2.365 1.00 52.13 C ATOM 1918 O ILE A 130 -1.851 9.921 1.173 1.00 52.11 O ATOM 1919 CB ILE A 130 -0.357 7.500 1.940 1.00 53.53 C ATOM 1920 CG1 ILE A 130 0.047 6.115 2.513 1.00 44.22 C ATOM 1921 CG2 ILE A 130 0.901 8.343 1.714 1.00 31.25 C ATOM 1922 CD1 ILE A 130 -1.022 5.048 2.484 1.00 42.12 C ATOM 0 H ILE A 130 -3.084 7.485 1.905 1.00 2.44 H new ATOM 0 HA ILE A 130 -1.015 8.217 3.861 1.00 23.33 H new ATOM 0 HB ILE A 130 -0.857 7.335 0.986 1.00 53.53 H new ATOM 0 HG12 ILE A 130 0.910 5.751 1.956 1.00 44.22 H new ATOM 0 HG13 ILE A 130 0.368 6.251 3.546 1.00 44.22 H new ATOM 0 HG21 ILE A 130 1.602 7.790 1.089 1.00 31.25 H new ATOM 0 HG22 ILE A 130 0.630 9.275 1.218 1.00 31.25 H new ATOM 0 HG23 ILE A 130 1.367 8.565 2.674 1.00 31.25 H new ATOM 0 HD11 ILE A 130 -0.627 4.125 2.909 1.00 42.12 H new ATOM 0 HD12 ILE A 130 -1.881 5.378 3.068 1.00 42.12 H new ATOM 0 HD13 ILE A 130 -1.331 4.870 1.454 1.00 42.12 H new ATOM 1934 N GLY A 131 -1.547 10.598 3.296 1.00 73.12 N ATOM 1935 CA GLY A 131 -1.755 11.981 2.989 1.00 71.12 C ATOM 1936 C GLY A 131 -3.187 12.215 2.580 1.00 41.45 C ATOM 1937 O GLY A 131 -4.084 12.112 3.404 1.00 14.30 O ATOM 0 H GLY A 131 -1.363 10.405 4.281 1.00 73.12 H new ATOM 0 HA2 GLY A 131 -1.513 12.594 3.857 1.00 71.12 H new ATOM 0 HA3 GLY A 131 -1.085 12.287 2.185 1.00 71.12 H new ATOM 1941 N LYS A 132 -3.409 12.461 1.305 1.00 5.12 N ATOM 1942 CA LYS A 132 -4.755 12.698 0.815 1.00 25.41 C ATOM 1943 C LYS A 132 -5.247 11.545 -0.071 1.00 33.23 C ATOM 1944 O LYS A 132 -6.316 11.643 -0.689 1.00 50.55 O ATOM 1945 CB LYS A 132 -4.829 14.009 0.015 1.00 21.33 C ATOM 1946 CG LYS A 132 -4.034 14.002 -1.286 1.00 51.14 C ATOM 1947 CD LYS A 132 -4.278 15.268 -2.089 1.00 33.44 C ATOM 1948 CE LYS A 132 -3.566 15.214 -3.433 1.00 23.12 C ATOM 1949 NZ LYS A 132 -3.770 16.445 -4.227 1.00 70.34 N ATOM 0 H LYS A 132 -2.681 12.502 0.592 1.00 5.12 H new ATOM 0 HA LYS A 132 -5.399 12.769 1.691 1.00 25.41 H new ATOM 0 HB2 LYS A 132 -5.873 14.222 -0.213 1.00 21.33 H new ATOM 0 HB3 LYS A 132 -4.467 14.824 0.643 1.00 21.33 H new ATOM 0 HG2 LYS A 132 -2.971 13.909 -1.064 1.00 51.14 H new ATOM 0 HG3 LYS A 132 -4.313 13.132 -1.881 1.00 51.14 H new ATOM 0 HD2 LYS A 132 -5.348 15.401 -2.247 1.00 33.44 H new ATOM 0 HD3 LYS A 132 -3.929 16.133 -1.524 1.00 33.44 H new ATOM 0 HE2 LYS A 132 -2.499 15.062 -3.270 1.00 23.12 H new ATOM 0 HE3 LYS A 132 -3.928 14.355 -3.999 1.00 23.12 H new ATOM 0 HZ1 LYS A 132 -3.266 16.361 -5.133 1.00 70.34 H new ATOM 0 HZ2 LYS A 132 -4.786 16.578 -4.406 1.00 70.34 H new ATOM 0 HZ3 LYS A 132 -3.401 17.263 -3.701 1.00 70.34 H new ATOM 1963 N PHE A 133 -4.492 10.468 -0.162 1.00 23.34 N ATOM 1964 CA PHE A 133 -4.888 9.388 -1.036 1.00 34.23 C ATOM 1965 C PHE A 133 -5.020 8.045 -0.324 1.00 72.14 C ATOM 1966 O PHE A 133 -4.415 7.828 0.710 1.00 64.12 O ATOM 1967 CB PHE A 133 -4.032 9.330 -2.297 1.00 74.02 C ATOM 1968 CG PHE A 133 -2.549 9.235 -2.113 1.00 74.22 C ATOM 1969 CD1 PHE A 133 -1.922 8.007 -2.041 1.00 41.14 C ATOM 1970 CD2 PHE A 133 -1.779 10.378 -2.053 1.00 0.35 C ATOM 1971 CE1 PHE A 133 -0.552 7.925 -1.914 1.00 33.24 C ATOM 1972 CE2 PHE A 133 -0.418 10.300 -1.919 1.00 34.13 C ATOM 1973 CZ PHE A 133 0.200 9.077 -1.850 1.00 2.21 C ATOM 0 H PHE A 133 -3.620 10.321 0.347 1.00 23.34 H new ATOM 0 HA PHE A 133 -5.901 9.619 -1.367 1.00 34.23 H new ATOM 0 HB2 PHE A 133 -4.355 8.471 -2.886 1.00 74.02 H new ATOM 0 HB3 PHE A 133 -4.243 10.220 -2.890 1.00 74.02 H new ATOM 0 HD1 PHE A 133 -2.510 7.102 -2.085 1.00 41.14 H new ATOM 0 HD2 PHE A 133 -2.255 11.346 -2.112 1.00 0.35 H new ATOM 0 HE1 PHE A 133 -0.070 6.960 -1.865 1.00 33.24 H new ATOM 0 HE2 PHE A 133 0.170 11.204 -1.867 1.00 34.13 H new ATOM 0 HZ PHE A 133 1.273 9.018 -1.746 1.00 2.21 H new ATOM 1983 N ARG A 134 -5.793 7.141 -0.911 1.00 21.33 N ATOM 1984 CA ARG A 134 -6.194 5.904 -0.238 1.00 2.20 C ATOM 1985 C ARG A 134 -5.629 4.671 -0.954 1.00 1.43 C ATOM 1986 O ARG A 134 -5.650 4.592 -2.189 1.00 53.11 O ATOM 1987 CB ARG A 134 -7.732 5.804 -0.244 1.00 64.12 C ATOM 1988 CG ARG A 134 -8.445 7.111 0.090 1.00 12.05 C ATOM 1989 CD ARG A 134 -9.957 6.981 -0.026 1.00 32.12 C ATOM 1990 NE ARG A 134 -10.597 8.296 -0.153 1.00 23.32 N ATOM 1991 CZ ARG A 134 -11.908 8.531 -0.066 1.00 51.25 C ATOM 1992 NH1 ARG A 134 -12.732 7.597 0.383 1.00 4.44 N ATOM 1993 NH2 ARG A 134 -12.393 9.718 -0.412 1.00 50.41 N ATOM 0 H ARG A 134 -6.159 7.239 -1.858 1.00 21.33 H new ATOM 0 HA ARG A 134 -5.805 5.930 0.780 1.00 2.20 H new ATOM 0 HB2 ARG A 134 -8.059 5.466 -1.227 1.00 64.12 H new ATOM 0 HB3 ARG A 134 -8.038 5.043 0.473 1.00 64.12 H new ATOM 0 HG2 ARG A 134 -8.184 7.418 1.103 1.00 12.05 H new ATOM 0 HG3 ARG A 134 -8.096 7.896 -0.581 1.00 12.05 H new ATOM 0 HD2 ARG A 134 -10.206 6.368 -0.892 1.00 32.12 H new ATOM 0 HD3 ARG A 134 -10.348 6.467 0.852 1.00 32.12 H new ATOM 0 HE ARG A 134 -9.989 9.097 -0.322 1.00 23.32 H new ATOM 0 HH11 ARG A 134 -12.367 6.688 0.666 1.00 4.44 H new ATOM 0 HH12 ARG A 134 -13.732 7.787 0.446 1.00 4.44 H new ATOM 0 HH21 ARG A 134 -11.764 10.449 -0.744 1.00 50.41 H new ATOM 0 HH22 ARG A 134 -13.395 9.899 -0.346 1.00 50.41 H new ATOM 2007 N LEU A 135 -5.126 3.732 -0.184 1.00 54.21 N ATOM 2008 CA LEU A 135 -4.631 2.446 -0.673 1.00 33.34 C ATOM 2009 C LEU A 135 -5.383 1.337 0.050 1.00 51.00 C ATOM 2010 O LEU A 135 -5.638 1.454 1.230 1.00 41.42 O ATOM 2011 CB LEU A 135 -3.108 2.274 -0.428 1.00 64.23 C ATOM 2012 CG LEU A 135 -2.120 3.024 -1.357 1.00 42.52 C ATOM 2013 CD1 LEU A 135 -2.243 4.533 -1.264 1.00 11.15 C ATOM 2014 CD2 LEU A 135 -0.692 2.592 -1.075 1.00 32.31 C ATOM 0 H LEU A 135 -5.044 3.836 0.827 1.00 54.21 H new ATOM 0 HA LEU A 135 -4.797 2.401 -1.749 1.00 33.34 H new ATOM 0 HB2 LEU A 135 -2.900 2.584 0.596 1.00 64.23 H new ATOM 0 HB3 LEU A 135 -2.880 1.210 -0.492 1.00 64.23 H new ATOM 0 HG LEU A 135 -2.388 2.751 -2.378 1.00 42.52 H new ATOM 0 HD11 LEU A 135 -1.525 4.999 -1.938 1.00 11.15 H new ATOM 0 HD12 LEU A 135 -3.252 4.834 -1.545 1.00 11.15 H new ATOM 0 HD13 LEU A 135 -2.041 4.852 -0.242 1.00 11.15 H new ATOM 0 HD21 LEU A 135 -0.012 3.129 -1.737 1.00 32.31 H new ATOM 0 HD22 LEU A 135 -0.442 2.816 -0.038 1.00 32.31 H new ATOM 0 HD23 LEU A 135 -0.595 1.520 -1.248 1.00 32.31 H new ATOM 2026 N VAL A 136 -5.743 0.295 -0.652 1.00 11.53 N ATOM 2027 CA VAL A 136 -6.488 -0.816 -0.066 1.00 62.21 C ATOM 2028 C VAL A 136 -5.610 -2.061 -0.038 1.00 54.04 C ATOM 2029 O VAL A 136 -5.049 -2.459 -1.071 1.00 45.42 O ATOM 2030 CB VAL A 136 -7.795 -1.119 -0.864 1.00 53.44 C ATOM 2031 CG1 VAL A 136 -8.567 -2.281 -0.241 1.00 13.14 C ATOM 2032 CG2 VAL A 136 -8.685 0.113 -0.938 1.00 62.13 C ATOM 0 H VAL A 136 -5.535 0.181 -1.644 1.00 11.53 H new ATOM 0 HA VAL A 136 -6.770 -0.532 0.948 1.00 62.21 H new ATOM 0 HB VAL A 136 -7.501 -1.402 -1.875 1.00 53.44 H new ATOM 0 HG11 VAL A 136 -9.472 -2.468 -0.819 1.00 13.14 H new ATOM 0 HG12 VAL A 136 -7.944 -3.175 -0.244 1.00 13.14 H new ATOM 0 HG13 VAL A 136 -8.837 -2.030 0.785 1.00 13.14 H new ATOM 0 HG21 VAL A 136 -9.589 -0.124 -1.499 1.00 62.13 H new ATOM 0 HG22 VAL A 136 -8.956 0.427 0.070 1.00 62.13 H new ATOM 0 HG23 VAL A 136 -8.149 0.920 -1.438 1.00 62.13 H new ATOM 2042 N PHE A 137 -5.490 -2.656 1.122 1.00 22.34 N ATOM 2043 CA PHE A 137 -4.681 -3.838 1.319 1.00 22.43 C ATOM 2044 C PHE A 137 -5.540 -5.072 1.035 1.00 13.55 C ATOM 2045 O PHE A 137 -6.641 -5.211 1.575 1.00 34.15 O ATOM 2046 CB PHE A 137 -4.166 -3.840 2.764 1.00 14.45 C ATOM 2047 CG PHE A 137 -3.149 -4.896 3.098 1.00 22.34 C ATOM 2048 CD1 PHE A 137 -1.802 -4.662 2.880 1.00 54.22 C ATOM 2049 CD2 PHE A 137 -3.532 -6.103 3.656 1.00 54.05 C ATOM 2050 CE1 PHE A 137 -0.858 -5.612 3.211 1.00 71.14 C ATOM 2051 CE2 PHE A 137 -2.594 -7.058 3.983 1.00 31.44 C ATOM 2052 CZ PHE A 137 -1.253 -6.811 3.763 1.00 43.22 C ATOM 0 H PHE A 137 -5.957 -2.331 1.969 1.00 22.34 H new ATOM 0 HA PHE A 137 -3.826 -3.849 0.643 1.00 22.43 H new ATOM 0 HB2 PHE A 137 -3.730 -2.864 2.975 1.00 14.45 H new ATOM 0 HB3 PHE A 137 -5.018 -3.960 3.433 1.00 14.45 H new ATOM 0 HD1 PHE A 137 -1.487 -3.725 2.446 1.00 54.22 H new ATOM 0 HD2 PHE A 137 -4.578 -6.299 3.837 1.00 54.05 H new ATOM 0 HE1 PHE A 137 0.190 -5.416 3.038 1.00 71.14 H new ATOM 0 HE2 PHE A 137 -2.907 -7.999 4.411 1.00 31.44 H new ATOM 0 HZ PHE A 137 -0.516 -7.556 4.023 1.00 43.22 H new ATOM 2062 N LEU A 138 -5.061 -5.947 0.185 1.00 14.44 N ATOM 2063 CA LEU A 138 -5.805 -7.123 -0.218 1.00 30.34 C ATOM 2064 C LEU A 138 -4.949 -8.376 -0.122 1.00 41.23 C ATOM 2065 O LEU A 138 -3.745 -8.356 -0.381 1.00 12.22 O ATOM 2066 CB LEU A 138 -6.335 -6.971 -1.655 1.00 70.14 C ATOM 2067 CG LEU A 138 -7.360 -5.852 -1.901 1.00 72.12 C ATOM 2068 CD1 LEU A 138 -7.712 -5.776 -3.379 1.00 64.51 C ATOM 2069 CD2 LEU A 138 -8.619 -6.083 -1.074 1.00 34.51 C ATOM 0 H LEU A 138 -4.142 -5.867 -0.250 1.00 14.44 H new ATOM 0 HA LEU A 138 -6.649 -7.223 0.465 1.00 30.34 H new ATOM 0 HB2 LEU A 138 -5.484 -6.803 -2.315 1.00 70.14 H new ATOM 0 HB3 LEU A 138 -6.787 -7.917 -1.952 1.00 70.14 H new ATOM 0 HG LEU A 138 -6.914 -4.906 -1.594 1.00 72.12 H new ATOM 0 HD11 LEU A 138 -8.439 -4.980 -3.539 1.00 64.51 H new ATOM 0 HD12 LEU A 138 -6.812 -5.568 -3.957 1.00 64.51 H new ATOM 0 HD13 LEU A 138 -8.138 -6.726 -3.701 1.00 64.51 H new ATOM 0 HD21 LEU A 138 -9.331 -5.280 -1.263 1.00 34.51 H new ATOM 0 HD22 LEU A 138 -9.067 -7.037 -1.351 1.00 34.51 H new ATOM 0 HD23 LEU A 138 -8.361 -6.097 -0.015 1.00 34.51 H new ATOM 2081 N ALA A 139 -5.559 -9.451 0.261 1.00 34.42 N ATOM 2082 CA ALA A 139 -4.885 -10.708 0.330 1.00 24.31 C ATOM 2083 C ALA A 139 -5.369 -11.573 -0.806 1.00 0.01 C ATOM 2084 O ALA A 139 -6.564 -11.811 -0.950 1.00 60.23 O ATOM 2085 CB ALA A 139 -5.118 -11.381 1.667 1.00 54.11 C ATOM 0 H ALA A 139 -6.541 -9.483 0.536 1.00 34.42 H new ATOM 0 HA ALA A 139 -3.810 -10.552 0.238 1.00 24.31 H new ATOM 0 HB1 ALA A 139 -4.593 -12.336 1.690 1.00 54.11 H new ATOM 0 HB2 ALA A 139 -4.744 -10.741 2.466 1.00 54.11 H new ATOM 0 HB3 ALA A 139 -6.185 -11.551 1.808 1.00 54.11 H new ATOM 2091 N GLY A 140 -4.457 -11.996 -1.622 1.00 53.22 N ATOM 2092 CA GLY A 140 -4.799 -12.788 -2.768 1.00 22.31 C ATOM 2093 C GLY A 140 -4.107 -12.243 -3.986 1.00 1.22 C ATOM 2094 O GLY A 140 -4.694 -11.463 -4.733 1.00 11.20 O ATOM 0 H GLY A 140 -3.460 -11.806 -1.517 1.00 53.22 H new ATOM 0 HA2 GLY A 140 -4.506 -13.825 -2.605 1.00 22.31 H new ATOM 0 HA3 GLY A 140 -5.879 -12.781 -2.918 1.00 22.31 H new ATOM 2098 N PRO A 141 -2.831 -12.606 -4.188 1.00 44.25 N ATOM 2099 CA PRO A 141 -2.022 -12.115 -5.310 1.00 50.31 C ATOM 2100 C PRO A 141 -2.568 -12.559 -6.673 1.00 10.41 C ATOM 2101 O PRO A 141 -3.364 -13.503 -6.761 1.00 35.31 O ATOM 2102 CB PRO A 141 -0.642 -12.733 -5.052 1.00 42.11 C ATOM 2103 CG PRO A 141 -0.659 -13.142 -3.627 1.00 54.22 C ATOM 2104 CD PRO A 141 -2.066 -13.545 -3.355 1.00 34.41 C ATOM 0 HA PRO A 141 -2.014 -11.026 -5.357 1.00 50.31 H new ATOM 0 HB2 PRO A 141 -0.465 -13.588 -5.705 1.00 42.11 H new ATOM 0 HB3 PRO A 141 0.154 -12.014 -5.246 1.00 42.11 H new ATOM 0 HG2 PRO A 141 0.029 -13.967 -3.446 1.00 54.22 H new ATOM 0 HG3 PRO A 141 -0.351 -12.322 -2.978 1.00 54.22 H new ATOM 0 HD2 PRO A 141 -2.253 -14.582 -3.635 1.00 34.41 H new ATOM 0 HD3 PRO A 141 -2.319 -13.450 -2.299 1.00 34.41 H new ATOM 2112 N ALA A 142 -2.133 -11.883 -7.728 1.00 63.24 N ATOM 2113 CA ALA A 142 -2.591 -12.180 -9.090 1.00 13.15 C ATOM 2114 C ALA A 142 -1.776 -13.304 -9.703 1.00 51.12 C ATOM 2115 O ALA A 142 -1.997 -13.732 -10.835 1.00 10.30 O ATOM 2116 CB ALA A 142 -2.553 -10.940 -9.960 1.00 13.23 C ATOM 0 H ALA A 142 -1.459 -11.119 -7.672 1.00 63.24 H new ATOM 0 HA ALA A 142 -3.627 -12.512 -9.031 1.00 13.15 H new ATOM 0 HB1 ALA A 142 -2.897 -11.189 -10.964 1.00 13.23 H new ATOM 0 HB2 ALA A 142 -3.202 -10.176 -9.533 1.00 13.23 H new ATOM 0 HB3 ALA A 142 -1.532 -10.562 -10.010 1.00 13.23 H new ATOM 2122 N GLU A 143 -0.857 -13.748 -8.946 1.00 5.10 N ATOM 2123 CA GLU A 143 -0.013 -14.846 -9.271 1.00 24.15 C ATOM 2124 C GLU A 143 0.040 -15.643 -7.994 1.00 35.24 C ATOM 2125 O GLU A 143 0.739 -15.213 -7.060 1.00 37.03 O ATOM 2126 CB GLU A 143 1.399 -14.349 -9.689 1.00 12.11 C ATOM 2127 CG GLU A 143 2.291 -15.366 -10.433 1.00 52.02 C ATOM 2128 CD GLU A 143 2.594 -16.642 -9.667 1.00 13.30 C ATOM 2129 OE1 GLU A 143 3.534 -16.671 -8.844 1.00 3.31 O ATOM 2130 OE2 GLU A 143 1.928 -17.665 -9.913 1.00 62.01 O ATOM 2131 OXT GLU A 143 -0.686 -16.650 -7.888 1.00 37.03 O ATOM 0 H GLU A 143 -0.653 -13.342 -8.033 1.00 5.10 H new ATOM 0 HA GLU A 143 -0.379 -15.433 -10.113 1.00 24.15 H new ATOM 0 HB2 GLU A 143 1.278 -13.471 -10.324 1.00 12.11 H new ATOM 0 HB3 GLU A 143 1.926 -14.024 -8.792 1.00 12.11 H new ATOM 0 HG2 GLU A 143 1.806 -15.632 -11.372 1.00 52.02 H new ATOM 0 HG3 GLU A 143 3.234 -14.881 -10.687 1.00 52.02 H new TER 2138 GLU A 143