USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1111 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 GLN : amide:sc= -4.81! C(o=-5.3!,f=-2.4!) USER MOD Set 1.2: A 86 SER OG : rot -56:sc= -0.455 USER MOD Set 2.1: A 82 LYS NZ :NH3+ -107:sc= 0.917 (180deg=-0.0527) USER MOD Set 2.2: A 84 TYR OH : rot 180:sc= 0.808 USER MOD Set 3.1: A 64 GLN : amide:sc= -0.882 K(o=-0.88,f=-0.11) USER MOD Set 3.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 44 HIS : no HD1:sc= 0.218 K(o=-0.34,f=-4) USER MOD Set 4.2: A 46 GLN : amide:sc= -0.562 K(o=-0.34,f=0.27) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.00667 X(o=-0.0067,f=-0.0067) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 41:sc= 0.283 USER MOD Single : A 10 HIS : no HD1:sc= -0.029 X(o=-0.029,f=-0.083) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 17 SER OG : rot 43:sc= 0.292 USER MOD Single : A 21 MET CE :methyl -172:sc= -0.23 (180deg=-0.523) USER MOD Single : A 25 ASN : amide:sc= -0.649 K(o=-0.65,f=-3.3!) USER MOD Single : A 27 GLN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.429 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 79:sc= 0.827 USER MOD Single : A 39 SER OG : rot 71:sc= 1.22 USER MOD Single : A 41 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0124) USER MOD Single : A 45 GLN : amide:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.732 K(o=-0.73,f=-0.046) USER MOD Single : A 73 MET CE :methyl -147:sc= -0.0876 (180deg=-0.526) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.505 K(o=-0.51,f=-2.9!) USER MOD Single : A 91 THR OG1 : rot -90:sc= 0.297 USER MOD Single : A 93 CYS SG : rot 134:sc= -2.59! USER MOD Single : A 97 THR OG1 : rot 157:sc= -0.459 USER MOD Single : A 105 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.013) USER MOD Single : A 106 SER OG : rot 49:sc= 0.422 USER MOD Single : A 108 MET CE :methyl 170:sc= -0.798 (180deg=-0.982) USER MOD Single : A 109 GLN : amide:sc= -2.62! K(o=-2.6!,f=-0.97) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ -119:sc= 1.25 (180deg=0.297) USER MOD Single : A 114 GLN : amide:sc= -4.14 K(o=-4.1,f=-7.8!) USER MOD Single : A 115 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.8) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -1.74! USER MOD Single : A 123 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 124 SER OG : rot 87:sc= 0.891 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 71:sc= 0.836 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 LYS NZ :NH3+ 173:sc=-0.00741 (180deg=-0.0669) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.983 59.432 26.887 1.00 54.44 N ATOM 2 CA MET A 1 -6.142 58.956 25.762 1.00 55.44 C ATOM 3 C MET A 1 -6.509 57.500 25.422 1.00 54.13 C ATOM 4 O MET A 1 -6.012 56.554 26.050 1.00 40.14 O ATOM 5 CB MET A 1 -4.630 59.099 26.120 1.00 74.51 C ATOM 6 CG MET A 1 -3.657 58.736 24.985 1.00 64.42 C ATOM 7 SD MET A 1 -1.922 58.929 25.456 1.00 41.11 S ATOM 8 CE MET A 1 -1.084 58.658 23.889 1.00 40.21 C ATOM 0 H1 MET A 1 -6.734 60.416 27.115 1.00 54.44 H new ATOM 0 H2 MET A 1 -7.986 59.383 26.616 1.00 54.44 H new ATOM 0 H3 MET A 1 -6.820 58.832 27.720 1.00 54.44 H new ATOM 0 HA MET A 1 -6.330 59.569 24.880 1.00 55.44 H new ATOM 0 HB2 MET A 1 -4.440 60.128 26.426 1.00 74.51 H new ATOM 0 HB3 MET A 1 -4.414 58.465 26.980 1.00 74.51 H new ATOM 0 HG2 MET A 1 -3.832 57.705 24.679 1.00 64.42 H new ATOM 0 HG3 MET A 1 -3.865 59.365 24.120 1.00 64.42 H new ATOM 0 HE1 MET A 1 -0.007 58.747 24.032 1.00 40.21 H new ATOM 0 HE2 MET A 1 -1.319 57.660 23.518 1.00 40.21 H new ATOM 0 HE3 MET A 1 -1.417 59.402 23.165 1.00 40.21 H new ATOM 20 N GLY A 2 -7.434 57.342 24.459 1.00 65.05 N ATOM 21 CA GLY A 2 -7.881 56.034 23.986 1.00 50.45 C ATOM 22 C GLY A 2 -7.318 55.698 22.612 1.00 41.13 C ATOM 23 O GLY A 2 -7.480 56.479 21.661 1.00 63.42 O ATOM 0 H GLY A 2 -7.890 58.125 23.990 1.00 65.05 H new ATOM 0 HA2 GLY A 2 -7.577 55.268 24.699 1.00 50.45 H new ATOM 0 HA3 GLY A 2 -8.970 56.017 23.945 1.00 50.45 H new ATOM 27 N HIS A 3 -6.663 54.530 22.510 1.00 4.44 N ATOM 28 CA HIS A 3 -6.096 54.024 21.246 1.00 10.12 C ATOM 29 C HIS A 3 -5.765 52.522 21.348 1.00 53.12 C ATOM 30 O HIS A 3 -5.637 51.846 20.325 1.00 14.22 O ATOM 31 CB HIS A 3 -4.832 54.834 20.833 1.00 42.05 C ATOM 32 CG HIS A 3 -4.260 54.447 19.482 1.00 43.40 C ATOM 33 ND1 HIS A 3 -3.008 53.878 19.312 1.00 32.11 N ATOM 34 CD2 HIS A 3 -4.796 54.516 18.238 1.00 32.52 C ATOM 35 CE1 HIS A 3 -2.809 53.627 18.031 1.00 75.33 C ATOM 36 NE2 HIS A 3 -3.876 54.000 17.365 1.00 52.25 N ATOM 0 H HIS A 3 -6.511 53.907 23.303 1.00 4.44 H new ATOM 0 HA HIS A 3 -6.852 54.155 20.472 1.00 10.12 H new ATOM 0 HB2 HIS A 3 -5.082 55.895 20.819 1.00 42.05 H new ATOM 0 HB3 HIS A 3 -4.063 54.698 21.593 1.00 42.05 H new ATOM 0 HD2 HIS A 3 -5.770 54.906 17.983 1.00 32.52 H new ATOM 0 HE1 HIS A 3 -1.919 53.189 17.604 1.00 75.33 H new ATOM 0 HE2 HIS A 3 -4.001 53.918 16.356 1.00 52.25 H new ATOM 45 N HIS A 4 -5.633 52.005 22.582 1.00 40.51 N ATOM 46 CA HIS A 4 -5.282 50.598 22.837 1.00 1.00 C ATOM 47 C HIS A 4 -6.416 49.645 22.382 1.00 43.22 C ATOM 48 O HIS A 4 -7.400 49.413 23.100 1.00 3.42 O ATOM 49 CB HIS A 4 -4.928 50.398 24.334 1.00 54.30 C ATOM 50 CG HIS A 4 -4.605 48.968 24.714 1.00 24.12 C ATOM 51 ND1 HIS A 4 -5.485 48.147 25.387 1.00 15.11 N ATOM 52 CD2 HIS A 4 -3.491 48.215 24.511 1.00 74.12 C ATOM 53 CE1 HIS A 4 -4.936 46.965 25.568 1.00 11.53 C ATOM 54 NE2 HIS A 4 -3.733 46.980 25.051 1.00 62.02 N ATOM 0 H HIS A 4 -5.767 52.553 23.432 1.00 40.51 H new ATOM 0 HA HIS A 4 -4.401 50.347 22.246 1.00 1.00 H new ATOM 0 HB2 HIS A 4 -4.074 51.029 24.580 1.00 54.30 H new ATOM 0 HB3 HIS A 4 -5.764 50.743 24.942 1.00 54.30 H new ATOM 0 HD2 HIS A 4 -2.585 48.532 24.016 1.00 74.12 H new ATOM 0 HE1 HIS A 4 -5.400 46.123 26.061 1.00 11.53 H new ATOM 0 HE2 HIS A 4 -3.080 46.196 25.051 1.00 62.02 H new ATOM 63 N HIS A 5 -6.271 49.138 21.150 1.00 50.30 N ATOM 64 CA HIS A 5 -7.218 48.196 20.522 1.00 43.44 C ATOM 65 C HIS A 5 -6.428 47.053 19.845 1.00 2.34 C ATOM 66 O HIS A 5 -6.697 45.872 20.094 1.00 61.10 O ATOM 67 CB HIS A 5 -8.092 48.918 19.457 1.00 23.45 C ATOM 68 CG HIS A 5 -9.123 49.898 19.981 1.00 3.22 C ATOM 69 ND1 HIS A 5 -10.485 49.694 19.863 1.00 61.01 N ATOM 70 CD2 HIS A 5 -8.994 51.125 20.544 1.00 50.01 C ATOM 71 CE1 HIS A 5 -11.131 50.747 20.323 1.00 52.41 C ATOM 72 NE2 HIS A 5 -10.252 51.625 20.739 1.00 33.11 N ATOM 0 H HIS A 5 -5.481 49.372 20.549 1.00 50.30 H new ATOM 0 HA HIS A 5 -7.873 47.794 21.295 1.00 43.44 H new ATOM 0 HB2 HIS A 5 -7.429 49.452 18.776 1.00 23.45 H new ATOM 0 HB3 HIS A 5 -8.609 48.160 18.869 1.00 23.45 H new ATOM 0 HD2 HIS A 5 -8.066 51.618 20.793 1.00 50.01 H new ATOM 0 HE1 HIS A 5 -12.204 50.866 20.352 1.00 52.41 H new ATOM 0 HE2 HIS A 5 -10.471 52.535 21.143 1.00 33.11 H new ATOM 81 N HIS A 6 -5.461 47.453 18.981 1.00 72.43 N ATOM 82 CA HIS A 6 -4.598 46.543 18.195 1.00 61.42 C ATOM 83 C HIS A 6 -5.413 45.655 17.226 1.00 52.13 C ATOM 84 O HIS A 6 -5.665 44.476 17.515 1.00 33.24 O ATOM 85 CB HIS A 6 -3.664 45.675 19.104 1.00 61.31 C ATOM 86 CG HIS A 6 -2.604 46.454 19.851 1.00 70.53 C ATOM 87 ND1 HIS A 6 -2.577 46.579 21.229 1.00 62.13 N ATOM 88 CD2 HIS A 6 -1.520 47.138 19.401 1.00 43.24 C ATOM 89 CE1 HIS A 6 -1.532 47.302 21.585 1.00 72.40 C ATOM 90 NE2 HIS A 6 -0.878 47.649 20.499 1.00 60.13 N ATOM 0 H HIS A 6 -5.258 48.438 18.810 1.00 72.43 H new ATOM 0 HA HIS A 6 -3.957 47.184 17.590 1.00 61.42 H new ATOM 0 HB2 HIS A 6 -4.279 45.140 19.827 1.00 61.31 H new ATOM 0 HB3 HIS A 6 -3.174 44.923 18.485 1.00 61.31 H new ATOM 0 HD2 HIS A 6 -1.220 47.257 18.370 1.00 43.24 H new ATOM 0 HE1 HIS A 6 -1.260 47.564 22.597 1.00 72.40 H new ATOM 0 HE2 HIS A 6 -0.027 48.210 20.477 1.00 60.13 H new ATOM 99 N HIS A 7 -5.868 46.246 16.103 1.00 64.13 N ATOM 100 CA HIS A 7 -6.523 45.487 15.014 1.00 22.01 C ATOM 101 C HIS A 7 -5.456 44.778 14.161 1.00 32.32 C ATOM 102 O HIS A 7 -4.464 45.394 13.762 1.00 64.44 O ATOM 103 CB HIS A 7 -7.447 46.388 14.140 1.00 22.04 C ATOM 104 CG HIS A 7 -6.769 47.500 13.359 1.00 1.33 C ATOM 105 ND1 HIS A 7 -6.641 48.786 13.835 1.00 41.24 N ATOM 106 CD2 HIS A 7 -6.206 47.517 12.121 1.00 22.25 C ATOM 107 CE1 HIS A 7 -6.029 49.534 12.937 1.00 10.11 C ATOM 108 NE2 HIS A 7 -5.756 48.789 11.892 1.00 5.42 N ATOM 0 H HIS A 7 -5.795 47.248 15.925 1.00 64.13 H new ATOM 0 HA HIS A 7 -7.170 44.736 15.466 1.00 22.01 H new ATOM 0 HB2 HIS A 7 -7.977 45.749 13.433 1.00 22.04 H new ATOM 0 HB3 HIS A 7 -8.199 46.837 14.789 1.00 22.04 H new ATOM 0 HD2 HIS A 7 -6.128 46.680 11.443 1.00 22.25 H new ATOM 0 HE1 HIS A 7 -5.793 50.582 13.044 1.00 10.11 H new ATOM 0 HE2 HIS A 7 -5.284 49.107 11.045 1.00 5.42 H new ATOM 117 N HIS A 8 -5.662 43.477 13.908 1.00 44.33 N ATOM 118 CA HIS A 8 -4.718 42.646 13.134 1.00 62.31 C ATOM 119 C HIS A 8 -5.437 41.444 12.487 1.00 60.53 C ATOM 120 O HIS A 8 -4.790 40.445 12.150 1.00 44.41 O ATOM 121 CB HIS A 8 -3.501 42.215 14.026 1.00 1.23 C ATOM 122 CG HIS A 8 -3.855 41.636 15.377 1.00 54.54 C ATOM 123 ND1 HIS A 8 -3.504 42.243 16.569 1.00 74.30 N ATOM 124 CD2 HIS A 8 -4.504 40.499 15.723 1.00 0.21 C ATOM 125 CE1 HIS A 8 -3.913 41.497 17.576 1.00 43.02 C ATOM 126 NE2 HIS A 8 -4.524 40.439 17.089 1.00 11.42 N ATOM 0 H HIS A 8 -6.485 42.969 14.232 1.00 44.33 H new ATOM 0 HA HIS A 8 -4.317 43.243 12.315 1.00 62.31 H new ATOM 0 HB2 HIS A 8 -2.914 41.478 13.477 1.00 1.23 H new ATOM 0 HB3 HIS A 8 -2.860 43.083 14.179 1.00 1.23 H new ATOM 0 HD2 HIS A 8 -4.928 39.773 15.045 1.00 0.21 H new ATOM 0 HE1 HIS A 8 -3.770 41.717 18.624 1.00 43.02 H new ATOM 0 HE2 HIS A 8 -4.946 39.693 17.642 1.00 11.42 H new ATOM 135 N SER A 9 -6.765 41.567 12.266 1.00 10.45 N ATOM 136 CA SER A 9 -7.559 40.519 11.597 1.00 42.00 C ATOM 137 C SER A 9 -7.431 40.639 10.065 1.00 13.42 C ATOM 138 O SER A 9 -8.044 41.511 9.438 1.00 63.14 O ATOM 139 CB SER A 9 -9.038 40.585 12.048 1.00 51.22 C ATOM 140 OG SER A 9 -9.609 41.862 11.818 1.00 44.45 O ATOM 0 H SER A 9 -7.308 42.385 12.543 1.00 10.45 H new ATOM 0 HA SER A 9 -7.167 39.545 11.889 1.00 42.00 H new ATOM 0 HB2 SER A 9 -9.614 39.829 11.513 1.00 51.22 H new ATOM 0 HB3 SER A 9 -9.104 40.345 13.109 1.00 51.22 H new ATOM 0 HG SER A 9 -9.313 42.201 10.948 1.00 44.45 H new ATOM 146 N HIS A 10 -6.593 39.764 9.492 1.00 31.31 N ATOM 147 CA HIS A 10 -6.358 39.655 8.047 1.00 12.33 C ATOM 148 C HIS A 10 -5.565 38.365 7.764 1.00 60.34 C ATOM 149 O HIS A 10 -4.463 38.183 8.298 1.00 45.34 O ATOM 150 CB HIS A 10 -5.609 40.905 7.475 1.00 0.03 C ATOM 151 CG HIS A 10 -4.249 41.191 8.081 1.00 54.24 C ATOM 152 ND1 HIS A 10 -3.064 40.757 7.521 1.00 32.43 N ATOM 153 CD2 HIS A 10 -3.892 41.899 9.182 1.00 13.04 C ATOM 154 CE1 HIS A 10 -2.050 41.170 8.253 1.00 60.33 C ATOM 155 NE2 HIS A 10 -2.524 41.868 9.262 1.00 65.10 N ATOM 0 H HIS A 10 -6.046 39.096 10.035 1.00 31.31 H new ATOM 0 HA HIS A 10 -7.323 39.614 7.543 1.00 12.33 H new ATOM 0 HB2 HIS A 10 -5.487 40.772 6.400 1.00 0.03 H new ATOM 0 HB3 HIS A 10 -6.241 41.781 7.618 1.00 0.03 H new ATOM 0 HD2 HIS A 10 -4.562 42.395 9.869 1.00 13.04 H new ATOM 0 HE1 HIS A 10 -1.007 40.970 8.058 1.00 60.33 H new ATOM 0 HE2 HIS A 10 -1.963 42.315 9.988 1.00 65.10 H new ATOM 164 N MET A 11 -6.148 37.452 6.970 1.00 22.32 N ATOM 165 CA MET A 11 -5.462 36.233 6.499 1.00 72.30 C ATOM 166 C MET A 11 -6.099 35.768 5.182 1.00 75.41 C ATOM 167 O MET A 11 -7.324 35.617 5.104 1.00 41.22 O ATOM 168 CB MET A 11 -5.528 35.084 7.554 1.00 75.35 C ATOM 169 CG MET A 11 -4.712 33.831 7.176 1.00 23.21 C ATOM 170 SD MET A 11 -4.781 32.529 8.427 1.00 13.42 S ATOM 171 CE MET A 11 -3.665 31.306 7.726 1.00 14.22 C ATOM 0 H MET A 11 -7.108 37.536 6.635 1.00 22.32 H new ATOM 0 HA MET A 11 -4.411 36.476 6.343 1.00 72.30 H new ATOM 0 HB2 MET A 11 -5.168 35.463 8.511 1.00 75.35 H new ATOM 0 HB3 MET A 11 -6.570 34.796 7.697 1.00 75.35 H new ATOM 0 HG2 MET A 11 -5.083 33.436 6.230 1.00 23.21 H new ATOM 0 HG3 MET A 11 -3.672 34.117 7.017 1.00 23.21 H new ATOM 0 HE1 MET A 11 -3.607 30.443 8.390 1.00 14.22 H new ATOM 0 HE2 MET A 11 -4.038 30.990 6.752 1.00 14.22 H new ATOM 0 HE3 MET A 11 -2.673 31.742 7.611 1.00 14.22 H new ATOM 181 N GLN A 12 -5.268 35.554 4.145 1.00 40.30 N ATOM 182 CA GLN A 12 -5.717 34.959 2.874 1.00 4.23 C ATOM 183 C GLN A 12 -5.376 33.449 2.850 1.00 53.43 C ATOM 184 O GLN A 12 -4.211 33.049 2.715 1.00 35.01 O ATOM 185 CB GLN A 12 -5.123 35.710 1.636 1.00 22.12 C ATOM 186 CG GLN A 12 -3.577 35.813 1.566 1.00 35.04 C ATOM 187 CD GLN A 12 -3.062 36.508 0.296 1.00 42.20 C ATOM 188 OE1 GLN A 12 -3.727 37.382 -0.264 1.00 61.53 O ATOM 189 NE2 GLN A 12 -1.880 36.123 -0.168 1.00 50.21 N ATOM 0 H GLN A 12 -4.275 35.787 4.164 1.00 40.30 H new ATOM 0 HA GLN A 12 -6.799 35.069 2.807 1.00 4.23 H new ATOM 0 HB2 GLN A 12 -5.473 35.210 0.733 1.00 22.12 H new ATOM 0 HB3 GLN A 12 -5.533 36.720 1.620 1.00 22.12 H new ATOM 0 HG2 GLN A 12 -3.218 36.358 2.439 1.00 35.04 H new ATOM 0 HG3 GLN A 12 -3.152 34.811 1.619 1.00 35.04 H new ATOM 0 HE21 GLN A 12 -1.353 35.397 0.318 1.00 50.21 H new ATOM 0 HE22 GLN A 12 -1.498 36.553 -1.010 1.00 50.21 H new ATOM 198 N GLU A 13 -6.403 32.614 3.054 1.00 3.22 N ATOM 199 CA GLU A 13 -6.309 31.169 2.819 1.00 40.22 C ATOM 200 C GLU A 13 -6.807 30.894 1.391 1.00 12.00 C ATOM 201 O GLU A 13 -8.021 30.878 1.140 1.00 64.40 O ATOM 202 CB GLU A 13 -7.137 30.358 3.852 1.00 54.42 C ATOM 203 CG GLU A 13 -6.955 28.822 3.719 1.00 14.31 C ATOM 204 CD GLU A 13 -8.031 28.012 4.451 1.00 1.03 C ATOM 205 OE1 GLU A 13 -7.946 27.856 5.692 1.00 44.24 O ATOM 206 OE2 GLU A 13 -8.983 27.537 3.791 1.00 60.30 O ATOM 0 H GLU A 13 -7.318 32.920 3.385 1.00 3.22 H new ATOM 0 HA GLU A 13 -5.273 30.850 2.935 1.00 40.22 H new ATOM 0 HB2 GLU A 13 -6.850 30.665 4.858 1.00 54.42 H new ATOM 0 HB3 GLU A 13 -8.192 30.603 3.733 1.00 54.42 H new ATOM 0 HG2 GLU A 13 -6.965 28.553 2.663 1.00 14.31 H new ATOM 0 HG3 GLU A 13 -5.975 28.545 4.109 1.00 14.31 H new ATOM 213 N LEU A 14 -5.861 30.754 0.448 1.00 50.22 N ATOM 214 CA LEU A 14 -6.164 30.430 -0.957 1.00 51.33 C ATOM 215 C LEU A 14 -6.628 28.960 -1.073 1.00 14.13 C ATOM 216 O LEU A 14 -6.136 28.106 -0.331 1.00 13.10 O ATOM 217 CB LEU A 14 -4.929 30.652 -1.885 1.00 52.43 C ATOM 218 CG LEU A 14 -4.484 32.130 -2.138 1.00 60.40 C ATOM 219 CD1 LEU A 14 -3.899 32.789 -0.878 1.00 73.21 C ATOM 220 CD2 LEU A 14 -3.494 32.204 -3.320 1.00 24.40 C ATOM 0 H LEU A 14 -4.865 30.862 0.637 1.00 50.22 H new ATOM 0 HA LEU A 14 -6.959 31.102 -1.281 1.00 51.33 H new ATOM 0 HB2 LEU A 14 -4.084 30.113 -1.458 1.00 52.43 H new ATOM 0 HB3 LEU A 14 -5.144 30.194 -2.850 1.00 52.43 H new ATOM 0 HG LEU A 14 -5.377 32.697 -2.399 1.00 60.40 H new ATOM 0 HD11 LEU A 14 -3.605 33.814 -1.106 1.00 73.21 H new ATOM 0 HD12 LEU A 14 -4.650 32.794 -0.088 1.00 73.21 H new ATOM 0 HD13 LEU A 14 -3.026 32.227 -0.545 1.00 73.21 H new ATOM 0 HD21 LEU A 14 -3.196 33.240 -3.481 1.00 24.40 H new ATOM 0 HD22 LEU A 14 -2.613 31.604 -3.095 1.00 24.40 H new ATOM 0 HD23 LEU A 14 -3.973 31.821 -4.221 1.00 24.40 H new ATOM 232 N PRO A 15 -7.580 28.641 -2.005 1.00 34.33 N ATOM 233 CA PRO A 15 -7.979 27.245 -2.307 1.00 41.32 C ATOM 234 C PRO A 15 -6.980 26.587 -3.295 1.00 54.22 C ATOM 235 O PRO A 15 -7.369 26.118 -4.373 1.00 22.31 O ATOM 236 CB PRO A 15 -9.394 27.436 -2.911 1.00 43.42 C ATOM 237 CG PRO A 15 -9.320 28.750 -3.632 1.00 41.01 C ATOM 238 CD PRO A 15 -8.355 29.613 -2.832 1.00 53.12 C ATOM 0 HA PRO A 15 -7.979 26.575 -1.447 1.00 41.32 H new ATOM 0 HB2 PRO A 15 -9.648 26.623 -3.592 1.00 43.42 H new ATOM 0 HB3 PRO A 15 -10.158 27.452 -2.134 1.00 43.42 H new ATOM 0 HG2 PRO A 15 -8.967 28.615 -4.654 1.00 41.01 H new ATOM 0 HG3 PRO A 15 -10.303 29.217 -3.693 1.00 41.01 H new ATOM 0 HD2 PRO A 15 -7.700 30.187 -3.487 1.00 53.12 H new ATOM 0 HD3 PRO A 15 -8.888 30.329 -2.207 1.00 53.12 H new ATOM 246 N ASP A 16 -5.682 26.564 -2.896 1.00 45.14 N ATOM 247 CA ASP A 16 -4.580 26.015 -3.710 1.00 33.25 C ATOM 248 C ASP A 16 -4.861 24.556 -4.083 1.00 35.20 C ATOM 249 O ASP A 16 -4.887 23.676 -3.210 1.00 15.34 O ATOM 250 CB ASP A 16 -3.239 26.140 -2.936 1.00 74.20 C ATOM 251 CG ASP A 16 -2.043 25.491 -3.663 1.00 21.51 C ATOM 252 OD1 ASP A 16 -1.437 26.141 -4.553 1.00 65.11 O ATOM 253 OD2 ASP A 16 -1.700 24.323 -3.353 1.00 72.20 O ATOM 0 H ASP A 16 -5.375 26.929 -1.994 1.00 45.14 H new ATOM 0 HA ASP A 16 -4.503 26.588 -4.634 1.00 33.25 H new ATOM 0 HB2 ASP A 16 -3.023 27.195 -2.769 1.00 74.20 H new ATOM 0 HB3 ASP A 16 -3.351 25.678 -1.955 1.00 74.20 H new ATOM 258 N SER A 17 -5.114 24.329 -5.378 1.00 70.41 N ATOM 259 CA SER A 17 -5.441 23.010 -5.911 1.00 44.13 C ATOM 260 C SER A 17 -4.148 22.229 -6.212 1.00 32.04 C ATOM 261 O SER A 17 -3.477 22.483 -7.224 1.00 40.04 O ATOM 262 CB SER A 17 -6.353 23.139 -7.165 1.00 53.43 C ATOM 263 OG SER A 17 -5.765 23.939 -8.188 1.00 12.42 O ATOM 0 H SER A 17 -5.096 25.063 -6.086 1.00 70.41 H new ATOM 0 HA SER A 17 -6.001 22.447 -5.164 1.00 44.13 H new ATOM 0 HB2 SER A 17 -6.563 22.145 -7.561 1.00 53.43 H new ATOM 0 HB3 SER A 17 -7.308 23.574 -6.872 1.00 53.43 H new ATOM 0 HG SER A 17 -4.818 23.705 -8.282 1.00 12.42 H new ATOM 269 N GLY A 18 -3.791 21.304 -5.301 1.00 74.01 N ATOM 270 CA GLY A 18 -2.615 20.442 -5.475 1.00 54.41 C ATOM 271 C GLY A 18 -2.917 19.196 -6.301 1.00 32.41 C ATOM 272 O GLY A 18 -4.055 18.972 -6.710 1.00 1.20 O ATOM 0 H GLY A 18 -4.305 21.137 -4.436 1.00 74.01 H new ATOM 0 HA2 GLY A 18 -1.821 21.011 -5.959 1.00 54.41 H new ATOM 0 HA3 GLY A 18 -2.241 20.142 -4.496 1.00 54.41 H new ATOM 276 N ALA A 19 -1.885 18.393 -6.561 1.00 24.30 N ATOM 277 CA ALA A 19 -2.017 17.095 -7.257 1.00 73.45 C ATOM 278 C ALA A 19 -1.347 16.007 -6.426 1.00 52.32 C ATOM 279 O ALA A 19 -0.706 16.306 -5.417 1.00 72.32 O ATOM 280 CB ALA A 19 -1.428 17.161 -8.684 1.00 54.31 C ATOM 0 H ALA A 19 -0.926 18.618 -6.297 1.00 24.30 H new ATOM 0 HA ALA A 19 -3.075 16.855 -7.364 1.00 73.45 H new ATOM 0 HB1 ALA A 19 -1.540 16.191 -9.169 1.00 54.31 H new ATOM 0 HB2 ALA A 19 -1.957 17.919 -9.261 1.00 54.31 H new ATOM 0 HB3 ALA A 19 -0.370 17.419 -8.630 1.00 54.31 H new ATOM 286 N LEU A 20 -1.516 14.743 -6.840 1.00 43.03 N ATOM 287 CA LEU A 20 -0.851 13.618 -6.185 1.00 61.54 C ATOM 288 C LEU A 20 0.584 13.485 -6.737 1.00 40.54 C ATOM 289 O LEU A 20 0.788 12.961 -7.835 1.00 41.01 O ATOM 290 CB LEU A 20 -1.640 12.290 -6.414 1.00 12.15 C ATOM 291 CG LEU A 20 -1.084 11.045 -5.636 1.00 4.32 C ATOM 292 CD1 LEU A 20 -1.345 11.183 -4.136 1.00 73.23 C ATOM 293 CD2 LEU A 20 -1.656 9.719 -6.166 1.00 11.22 C ATOM 0 H LEU A 20 -2.109 14.479 -7.627 1.00 43.03 H new ATOM 0 HA LEU A 20 -0.817 13.806 -5.112 1.00 61.54 H new ATOM 0 HB2 LEU A 20 -2.679 12.447 -6.123 1.00 12.15 H new ATOM 0 HB3 LEU A 20 -1.639 12.064 -7.480 1.00 12.15 H new ATOM 0 HG LEU A 20 -0.008 11.019 -5.805 1.00 4.32 H new ATOM 0 HD11 LEU A 20 -0.952 10.309 -3.616 1.00 73.23 H new ATOM 0 HD12 LEU A 20 -0.852 12.080 -3.762 1.00 73.23 H new ATOM 0 HD13 LEU A 20 -2.418 11.258 -3.959 1.00 73.23 H new ATOM 0 HD21 LEU A 20 -1.240 8.889 -5.595 1.00 11.22 H new ATOM 0 HD22 LEU A 20 -2.741 9.723 -6.062 1.00 11.22 H new ATOM 0 HD23 LEU A 20 -1.393 9.604 -7.217 1.00 11.22 H new ATOM 305 N MET A 21 1.571 14.020 -6.005 1.00 51.13 N ATOM 306 CA MET A 21 2.999 13.710 -6.245 1.00 40.23 C ATOM 307 C MET A 21 3.559 13.118 -4.958 1.00 14.24 C ATOM 308 O MET A 21 3.833 13.873 -4.008 1.00 25.34 O ATOM 309 CB MET A 21 3.832 14.960 -6.666 1.00 21.23 C ATOM 310 CG MET A 21 3.310 15.719 -7.893 1.00 51.01 C ATOM 311 SD MET A 21 4.397 17.075 -8.408 1.00 2.01 S ATOM 312 CE MET A 21 4.589 18.016 -6.893 1.00 62.12 C ATOM 0 H MET A 21 1.412 14.673 -5.237 1.00 51.13 H new ATOM 0 HA MET A 21 3.070 13.009 -7.076 1.00 40.23 H new ATOM 0 HB2 MET A 21 3.871 15.650 -5.823 1.00 21.23 H new ATOM 0 HB3 MET A 21 4.856 14.643 -6.865 1.00 21.23 H new ATOM 0 HG2 MET A 21 3.193 15.021 -8.722 1.00 51.01 H new ATOM 0 HG3 MET A 21 2.321 16.119 -7.671 1.00 51.01 H new ATOM 0 HE1 MET A 21 5.114 18.947 -7.107 1.00 62.12 H new ATOM 0 HE2 MET A 21 3.607 18.241 -6.477 1.00 62.12 H new ATOM 0 HE3 MET A 21 5.163 17.433 -6.173 1.00 62.12 H new ATOM 322 N LEU A 22 3.717 11.775 -4.913 1.00 2.43 N ATOM 323 CA LEU A 22 4.176 11.083 -3.703 1.00 72.34 C ATOM 324 C LEU A 22 5.672 11.350 -3.505 1.00 72.35 C ATOM 325 O LEU A 22 6.521 10.823 -4.224 1.00 65.13 O ATOM 326 CB LEU A 22 3.890 9.556 -3.811 1.00 12.23 C ATOM 327 CG LEU A 22 2.383 9.165 -3.912 1.00 0.44 C ATOM 328 CD1 LEU A 22 2.213 7.652 -4.131 1.00 11.02 C ATOM 329 CD2 LEU A 22 1.602 9.627 -2.668 1.00 70.24 C ATOM 0 H LEU A 22 3.532 11.157 -5.703 1.00 2.43 H new ATOM 0 HA LEU A 22 3.633 11.462 -2.837 1.00 72.34 H new ATOM 0 HB2 LEU A 22 4.409 9.167 -4.687 1.00 12.23 H new ATOM 0 HB3 LEU A 22 4.319 9.060 -2.940 1.00 12.23 H new ATOM 0 HG LEU A 22 1.969 9.679 -4.779 1.00 0.44 H new ATOM 0 HD11 LEU A 22 1.152 7.411 -4.197 1.00 11.02 H new ATOM 0 HD12 LEU A 22 2.710 7.360 -5.056 1.00 11.02 H new ATOM 0 HD13 LEU A 22 2.656 7.111 -3.295 1.00 11.02 H new ATOM 0 HD21 LEU A 22 0.555 9.340 -2.768 1.00 70.24 H new ATOM 0 HD22 LEU A 22 2.023 9.158 -1.779 1.00 70.24 H new ATOM 0 HD23 LEU A 22 1.674 10.711 -2.575 1.00 70.24 H new ATOM 341 N VAL A 23 5.958 12.217 -2.533 1.00 64.50 N ATOM 342 CA VAL A 23 7.315 12.641 -2.179 1.00 24.41 C ATOM 343 C VAL A 23 7.722 11.967 -0.845 1.00 24.22 C ATOM 344 O VAL A 23 7.150 12.289 0.206 1.00 33.24 O ATOM 345 CB VAL A 23 7.401 14.227 -2.121 1.00 44.42 C ATOM 346 CG1 VAL A 23 7.387 14.820 -3.555 1.00 60.01 C ATOM 347 CG2 VAL A 23 6.250 14.843 -1.279 1.00 43.34 C ATOM 0 H VAL A 23 5.238 12.654 -1.957 1.00 64.50 H new ATOM 0 HA VAL A 23 8.024 12.323 -2.943 1.00 24.41 H new ATOM 0 HB VAL A 23 8.341 14.483 -1.632 1.00 44.42 H new ATOM 0 HG11 VAL A 23 7.446 15.907 -3.500 1.00 60.01 H new ATOM 0 HG12 VAL A 23 8.240 14.438 -4.115 1.00 60.01 H new ATOM 0 HG13 VAL A 23 6.464 14.532 -4.059 1.00 60.01 H new ATOM 0 HG21 VAL A 23 6.349 15.928 -1.267 1.00 43.34 H new ATOM 0 HG22 VAL A 23 5.291 14.571 -1.720 1.00 43.34 H new ATOM 0 HG23 VAL A 23 6.302 14.463 -0.259 1.00 43.34 H new ATOM 357 N PRO A 24 8.677 10.958 -0.882 1.00 53.20 N ATOM 358 CA PRO A 24 9.093 10.182 0.316 1.00 5.23 C ATOM 359 C PRO A 24 9.554 11.084 1.477 1.00 54.14 C ATOM 360 O PRO A 24 10.645 11.670 1.443 1.00 74.55 O ATOM 361 CB PRO A 24 10.251 9.282 -0.209 1.00 52.13 C ATOM 362 CG PRO A 24 9.977 9.145 -1.672 1.00 74.11 C ATOM 363 CD PRO A 24 9.406 10.487 -2.095 1.00 11.01 C ATOM 0 HA PRO A 24 8.267 9.609 0.737 1.00 5.23 H new ATOM 0 HB2 PRO A 24 11.224 9.739 -0.027 1.00 52.13 H new ATOM 0 HB3 PRO A 24 10.257 8.312 0.287 1.00 52.13 H new ATOM 0 HG2 PRO A 24 10.888 8.913 -2.224 1.00 74.11 H new ATOM 0 HG3 PRO A 24 9.272 8.337 -1.867 1.00 74.11 H new ATOM 0 HD2 PRO A 24 10.193 11.183 -2.385 1.00 11.01 H new ATOM 0 HD3 PRO A 24 8.738 10.386 -2.950 1.00 11.01 H new ATOM 371 N ASN A 25 8.670 11.218 2.471 1.00 55.31 N ATOM 372 CA ASN A 25 8.923 11.973 3.707 1.00 60.44 C ATOM 373 C ASN A 25 9.906 11.206 4.620 1.00 14.42 C ATOM 374 O ASN A 25 10.588 10.271 4.174 1.00 71.33 O ATOM 375 CB ASN A 25 7.560 12.219 4.432 1.00 14.52 C ATOM 376 CG ASN A 25 6.825 10.926 4.867 1.00 41.14 C ATOM 377 OD1 ASN A 25 6.970 9.857 4.269 1.00 0.13 O ATOM 378 ND2 ASN A 25 6.002 11.019 5.905 1.00 41.35 N ATOM 0 H ASN A 25 7.741 10.798 2.441 1.00 55.31 H new ATOM 0 HA ASN A 25 9.382 12.932 3.466 1.00 60.44 H new ATOM 0 HB2 ASN A 25 7.737 12.836 5.313 1.00 14.52 H new ATOM 0 HB3 ASN A 25 6.908 12.788 3.770 1.00 14.52 H new ATOM 0 HD21 ASN A 25 5.480 10.200 6.217 1.00 41.35 H new ATOM 0 HD22 ASN A 25 5.892 11.909 6.390 1.00 41.35 H new ATOM 385 N ARG A 26 10.002 11.626 5.890 1.00 33.33 N ATOM 386 CA ARG A 26 10.738 10.872 6.924 1.00 12.53 C ATOM 387 C ARG A 26 10.055 9.499 7.083 1.00 62.31 C ATOM 388 O ARG A 26 8.841 9.448 7.327 1.00 13.20 O ATOM 389 CB ARG A 26 10.779 11.661 8.273 1.00 33.03 C ATOM 390 CG ARG A 26 11.779 12.851 8.333 1.00 21.54 C ATOM 391 CD ARG A 26 11.543 13.936 7.261 1.00 53.02 C ATOM 392 NE ARG A 26 10.159 14.458 7.282 1.00 22.55 N ATOM 393 CZ ARG A 26 9.580 15.211 6.319 1.00 11.24 C ATOM 394 NH1 ARG A 26 10.261 15.571 5.228 1.00 60.12 N ATOM 395 NH2 ARG A 26 8.316 15.611 6.466 1.00 51.32 N ATOM 0 H ARG A 26 9.577 12.489 6.230 1.00 33.33 H new ATOM 0 HA ARG A 26 11.776 10.730 6.623 1.00 12.53 H new ATOM 0 HB2 ARG A 26 9.779 12.041 8.480 1.00 33.03 H new ATOM 0 HB3 ARG A 26 11.026 10.963 9.073 1.00 33.03 H new ATOM 0 HG2 ARG A 26 11.718 13.312 9.319 1.00 21.54 H new ATOM 0 HG3 ARG A 26 12.792 12.464 8.224 1.00 21.54 H new ATOM 0 HD2 ARG A 26 12.241 14.758 7.420 1.00 53.02 H new ATOM 0 HD3 ARG A 26 11.757 13.522 6.276 1.00 53.02 H new ATOM 0 HE ARG A 26 9.590 14.229 8.097 1.00 22.55 H new ATOM 0 HH11 ARG A 26 11.231 15.278 5.113 1.00 60.12 H new ATOM 0 HH12 ARG A 26 9.811 16.139 4.510 1.00 60.12 H new ATOM 0 HH21 ARG A 26 7.792 15.349 7.301 1.00 51.32 H new ATOM 0 HH22 ARG A 26 7.874 16.179 5.744 1.00 51.32 H new ATOM 409 N GLN A 27 10.831 8.411 6.875 1.00 32.32 N ATOM 410 CA GLN A 27 10.309 7.034 6.847 1.00 34.44 C ATOM 411 C GLN A 27 9.553 6.696 8.145 1.00 31.13 C ATOM 412 O GLN A 27 10.077 6.900 9.242 1.00 11.53 O ATOM 413 CB GLN A 27 11.449 6.006 6.586 1.00 20.02 C ATOM 414 CG GLN A 27 10.963 4.545 6.443 1.00 10.52 C ATOM 415 CD GLN A 27 12.054 3.525 6.081 1.00 4.20 C ATOM 416 OE1 GLN A 27 11.776 2.528 5.413 1.00 73.34 O ATOM 417 NE2 GLN A 27 13.290 3.744 6.526 1.00 33.34 N ATOM 0 H GLN A 27 11.838 8.468 6.722 1.00 32.32 H new ATOM 0 HA GLN A 27 9.601 6.968 6.021 1.00 34.44 H new ATOM 0 HB2 GLN A 27 11.980 6.291 5.678 1.00 20.02 H new ATOM 0 HB3 GLN A 27 12.167 6.060 7.405 1.00 20.02 H new ATOM 0 HG2 GLN A 27 10.499 4.240 7.381 1.00 10.52 H new ATOM 0 HG3 GLN A 27 10.187 4.510 5.678 1.00 10.52 H new ATOM 0 HE21 GLN A 27 13.493 4.578 7.077 1.00 33.34 H new ATOM 0 HE22 GLN A 27 14.033 3.078 6.316 1.00 33.34 H new ATOM 426 N LEU A 28 8.306 6.222 8.001 1.00 61.24 N ATOM 427 CA LEU A 28 7.451 5.872 9.143 1.00 75.32 C ATOM 428 C LEU A 28 7.934 4.543 9.745 1.00 54.14 C ATOM 429 O LEU A 28 8.328 3.640 9.001 1.00 74.23 O ATOM 430 CB LEU A 28 5.960 5.753 8.697 1.00 64.00 C ATOM 431 CG LEU A 28 5.408 6.892 7.773 1.00 52.14 C ATOM 432 CD1 LEU A 28 3.912 6.678 7.476 1.00 44.21 C ATOM 433 CD2 LEU A 28 5.658 8.295 8.362 1.00 33.21 C ATOM 0 H LEU A 28 7.865 6.071 7.094 1.00 61.24 H new ATOM 0 HA LEU A 28 7.517 6.659 9.895 1.00 75.32 H new ATOM 0 HB2 LEU A 28 5.835 4.803 8.177 1.00 64.00 H new ATOM 0 HB3 LEU A 28 5.340 5.711 9.592 1.00 64.00 H new ATOM 0 HG LEU A 28 5.959 6.839 6.834 1.00 52.14 H new ATOM 0 HD11 LEU A 28 3.550 7.480 6.833 1.00 44.21 H new ATOM 0 HD12 LEU A 28 3.774 5.720 6.974 1.00 44.21 H new ATOM 0 HD13 LEU A 28 3.351 6.681 8.411 1.00 44.21 H new ATOM 0 HD21 LEU A 28 5.258 9.050 7.686 1.00 33.21 H new ATOM 0 HD22 LEU A 28 5.164 8.376 9.330 1.00 33.21 H new ATOM 0 HD23 LEU A 28 6.729 8.451 8.487 1.00 33.21 H new ATOM 445 N THR A 29 7.931 4.434 11.075 1.00 61.13 N ATOM 446 CA THR A 29 8.208 3.160 11.758 1.00 41.22 C ATOM 447 C THR A 29 6.958 2.262 11.677 1.00 55.44 C ATOM 448 O THR A 29 5.876 2.747 11.335 1.00 50.31 O ATOM 449 CB THR A 29 8.599 3.397 13.251 1.00 21.23 C ATOM 450 OG1 THR A 29 7.536 4.072 13.935 1.00 51.51 O ATOM 451 CG2 THR A 29 9.891 4.221 13.375 1.00 53.44 C ATOM 0 H THR A 29 7.740 5.213 11.706 1.00 61.13 H new ATOM 0 HA THR A 29 9.049 2.672 11.265 1.00 41.22 H new ATOM 0 HB THR A 29 8.772 2.421 13.705 1.00 21.23 H new ATOM 0 HG1 THR A 29 7.788 4.215 14.871 1.00 51.51 H new ATOM 0 HG21 THR A 29 10.131 4.365 14.428 1.00 53.44 H new ATOM 0 HG22 THR A 29 10.709 3.691 12.886 1.00 53.44 H new ATOM 0 HG23 THR A 29 9.751 5.191 12.899 1.00 53.44 H new ATOM 459 N ALA A 30 7.121 0.959 11.965 1.00 1.33 N ATOM 460 CA ALA A 30 5.989 0.012 12.076 1.00 35.12 C ATOM 461 C ALA A 30 5.055 0.415 13.226 1.00 64.53 C ATOM 462 O ALA A 30 3.834 0.247 13.131 1.00 65.02 O ATOM 463 CB ALA A 30 6.493 -1.436 12.241 1.00 1.32 C ATOM 0 H ALA A 30 8.033 0.531 12.127 1.00 1.33 H new ATOM 0 HA ALA A 30 5.416 0.055 11.150 1.00 35.12 H new ATOM 0 HB1 ALA A 30 5.641 -2.111 12.320 1.00 1.32 H new ATOM 0 HB2 ALA A 30 7.096 -1.712 11.376 1.00 1.32 H new ATOM 0 HB3 ALA A 30 7.099 -1.510 13.144 1.00 1.32 H new ATOM 469 N ASP A 31 5.656 0.975 14.296 1.00 51.31 N ATOM 470 CA ASP A 31 4.918 1.536 15.436 1.00 61.44 C ATOM 471 C ASP A 31 4.021 2.705 14.984 1.00 74.31 C ATOM 472 O ASP A 31 2.830 2.746 15.307 1.00 63.21 O ATOM 473 CB ASP A 31 5.902 2.013 16.541 1.00 43.42 C ATOM 474 CG ASP A 31 6.609 0.861 17.274 1.00 51.53 C ATOM 475 OD1 ASP A 31 6.070 0.360 18.286 1.00 61.14 O ATOM 476 OD2 ASP A 31 7.707 0.449 16.842 1.00 14.41 O ATOM 0 H ASP A 31 6.669 1.049 14.390 1.00 51.31 H new ATOM 0 HA ASP A 31 4.283 0.751 15.847 1.00 61.44 H new ATOM 0 HB2 ASP A 31 6.653 2.662 16.091 1.00 43.42 H new ATOM 0 HB3 ASP A 31 5.356 2.614 17.268 1.00 43.42 H new ATOM 481 N TYR A 32 4.607 3.642 14.208 1.00 53.02 N ATOM 482 CA TYR A 32 3.898 4.843 13.754 1.00 64.54 C ATOM 483 C TYR A 32 2.802 4.482 12.747 1.00 51.04 C ATOM 484 O TYR A 32 1.704 5.031 12.816 1.00 1.44 O ATOM 485 CB TYR A 32 4.859 5.893 13.132 1.00 53.41 C ATOM 486 CG TYR A 32 4.130 7.200 12.792 1.00 34.31 C ATOM 487 CD1 TYR A 32 3.677 8.044 13.808 1.00 73.33 C ATOM 488 CD2 TYR A 32 3.830 7.560 11.472 1.00 33.21 C ATOM 489 CE1 TYR A 32 2.973 9.189 13.524 1.00 70.03 C ATOM 490 CE2 TYR A 32 3.112 8.707 11.184 1.00 43.41 C ATOM 491 CZ TYR A 32 2.689 9.517 12.219 1.00 21.33 C ATOM 492 OH TYR A 32 1.963 10.656 11.954 1.00 55.34 O ATOM 0 H TYR A 32 5.573 3.583 13.886 1.00 53.02 H new ATOM 0 HA TYR A 32 3.442 5.290 14.637 1.00 64.54 H new ATOM 0 HB2 TYR A 32 5.671 6.100 13.829 1.00 53.41 H new ATOM 0 HB3 TYR A 32 5.311 5.483 12.229 1.00 53.41 H new ATOM 0 HD1 TYR A 32 3.884 7.792 14.837 1.00 73.33 H new ATOM 0 HD2 TYR A 32 4.166 6.929 10.662 1.00 33.21 H new ATOM 0 HE1 TYR A 32 2.642 9.832 14.326 1.00 70.03 H new ATOM 0 HE2 TYR A 32 2.885 8.966 10.160 1.00 43.41 H new ATOM 0 HH TYR A 32 1.846 10.751 10.986 1.00 55.34 H new ATOM 502 N PHE A 33 3.138 3.575 11.811 1.00 32.12 N ATOM 503 CA PHE A 33 2.199 3.077 10.793 1.00 72.15 C ATOM 504 C PHE A 33 0.934 2.531 11.468 1.00 54.22 C ATOM 505 O PHE A 33 -0.170 2.951 11.135 1.00 51.13 O ATOM 506 CB PHE A 33 2.865 1.973 9.923 1.00 11.23 C ATOM 507 CG PHE A 33 1.987 1.464 8.777 1.00 54.14 C ATOM 508 CD1 PHE A 33 1.011 0.484 8.985 1.00 3.44 C ATOM 509 CD2 PHE A 33 2.115 1.983 7.496 1.00 15.10 C ATOM 510 CE1 PHE A 33 0.204 0.051 7.956 1.00 11.03 C ATOM 511 CE2 PHE A 33 1.313 1.542 6.472 1.00 32.34 C ATOM 512 CZ PHE A 33 0.354 0.579 6.697 1.00 52.21 C ATOM 0 H PHE A 33 4.070 3.167 11.741 1.00 32.12 H new ATOM 0 HA PHE A 33 1.924 3.906 10.141 1.00 72.15 H new ATOM 0 HB2 PHE A 33 3.794 2.364 9.508 1.00 11.23 H new ATOM 0 HB3 PHE A 33 3.131 1.132 10.564 1.00 11.23 H new ATOM 0 HD1 PHE A 33 0.888 0.059 9.970 1.00 3.44 H new ATOM 0 HD2 PHE A 33 2.856 2.744 7.302 1.00 15.10 H new ATOM 0 HE1 PHE A 33 -0.547 -0.704 8.139 1.00 11.03 H new ATOM 0 HE2 PHE A 33 1.435 1.954 5.481 1.00 32.34 H new ATOM 0 HZ PHE A 33 -0.276 0.241 5.888 1.00 52.21 H new ATOM 522 N GLU A 34 1.146 1.602 12.429 1.00 13.44 N ATOM 523 CA GLU A 34 0.067 0.938 13.181 1.00 75.42 C ATOM 524 C GLU A 34 -0.767 1.958 13.977 1.00 53.23 C ATOM 525 O GLU A 34 -1.994 1.858 14.011 1.00 12.15 O ATOM 526 CB GLU A 34 0.650 -0.130 14.152 1.00 31.33 C ATOM 527 CG GLU A 34 -0.427 -0.972 14.884 1.00 60.52 C ATOM 528 CD GLU A 34 0.128 -1.793 16.053 1.00 44.15 C ATOM 529 OE1 GLU A 34 0.733 -2.862 15.817 1.00 61.03 O ATOM 530 OE2 GLU A 34 -0.016 -1.362 17.224 1.00 32.34 O ATOM 0 H GLU A 34 2.079 1.293 12.703 1.00 13.44 H new ATOM 0 HA GLU A 34 -0.583 0.447 12.456 1.00 75.42 H new ATOM 0 HB2 GLU A 34 1.301 -0.800 13.590 1.00 31.33 H new ATOM 0 HB3 GLU A 34 1.272 0.370 14.894 1.00 31.33 H new ATOM 0 HG2 GLU A 34 -1.206 -0.307 15.256 1.00 60.52 H new ATOM 0 HG3 GLU A 34 -0.898 -1.646 14.168 1.00 60.52 H new ATOM 537 N LYS A 35 -0.088 2.950 14.597 1.00 1.35 N ATOM 538 CA LYS A 35 -0.756 3.997 15.399 1.00 23.12 C ATOM 539 C LYS A 35 -1.706 4.828 14.517 1.00 44.40 C ATOM 540 O LYS A 35 -2.885 4.980 14.836 1.00 40.22 O ATOM 541 CB LYS A 35 0.281 4.940 16.061 1.00 12.34 C ATOM 542 CG LYS A 35 -0.345 6.065 16.920 1.00 11.41 C ATOM 543 CD LYS A 35 0.672 7.139 17.355 1.00 44.22 C ATOM 544 CE LYS A 35 1.789 6.604 18.263 1.00 33.14 C ATOM 545 NZ LYS A 35 2.758 7.677 18.639 1.00 11.43 N ATOM 0 H LYS A 35 0.927 3.046 14.556 1.00 1.35 H new ATOM 0 HA LYS A 35 -1.328 3.497 16.181 1.00 23.12 H new ATOM 0 HB2 LYS A 35 0.947 4.347 16.688 1.00 12.34 H new ATOM 0 HB3 LYS A 35 0.895 5.392 15.282 1.00 12.34 H new ATOM 0 HG2 LYS A 35 -1.146 6.541 16.355 1.00 11.41 H new ATOM 0 HG3 LYS A 35 -0.800 5.625 17.807 1.00 11.41 H new ATOM 0 HD2 LYS A 35 1.120 7.582 16.466 1.00 44.22 H new ATOM 0 HD3 LYS A 35 0.143 7.937 17.877 1.00 44.22 H new ATOM 0 HE2 LYS A 35 1.351 6.177 19.165 1.00 33.14 H new ATOM 0 HE3 LYS A 35 2.318 5.799 17.753 1.00 33.14 H new ATOM 0 HZ1 LYS A 35 3.497 7.278 19.252 1.00 11.43 H new ATOM 0 HZ2 LYS A 35 3.194 8.067 17.780 1.00 11.43 H new ATOM 0 HZ3 LYS A 35 2.258 8.434 19.148 1.00 11.43 H new ATOM 559 N THR A 36 -1.158 5.327 13.395 1.00 62.31 N ATOM 560 CA THR A 36 -1.889 6.137 12.412 1.00 62.20 C ATOM 561 C THR A 36 -3.025 5.310 11.770 1.00 34.52 C ATOM 562 O THR A 36 -4.102 5.827 11.509 1.00 2.50 O ATOM 563 CB THR A 36 -0.902 6.679 11.316 1.00 43.11 C ATOM 564 OG1 THR A 36 0.216 7.317 11.959 1.00 34.00 O ATOM 565 CG2 THR A 36 -1.557 7.693 10.356 1.00 73.31 C ATOM 0 H THR A 36 -0.181 5.175 13.145 1.00 62.31 H new ATOM 0 HA THR A 36 -2.338 6.990 12.922 1.00 62.20 H new ATOM 0 HB THR A 36 -0.589 5.820 10.723 1.00 43.11 H new ATOM 0 HG1 THR A 36 0.848 6.635 12.269 1.00 34.00 H new ATOM 0 HG21 THR A 36 -0.822 8.028 9.624 1.00 73.31 H new ATOM 0 HG22 THR A 36 -2.392 7.219 9.841 1.00 73.31 H new ATOM 0 HG23 THR A 36 -1.920 8.550 10.924 1.00 73.31 H new ATOM 573 N TRP A 37 -2.761 4.006 11.579 1.00 55.01 N ATOM 574 CA TRP A 37 -3.717 3.033 11.021 1.00 12.21 C ATOM 575 C TRP A 37 -4.963 2.928 11.917 1.00 74.11 C ATOM 576 O TRP A 37 -6.087 3.039 11.439 1.00 75.24 O ATOM 577 CB TRP A 37 -3.015 1.655 10.871 1.00 54.31 C ATOM 578 CG TRP A 37 -3.840 0.576 10.206 1.00 4.34 C ATOM 579 CD1 TRP A 37 -4.703 -0.296 10.807 1.00 34.24 C ATOM 580 CD2 TRP A 37 -3.856 0.247 8.807 1.00 51.12 C ATOM 581 NE1 TRP A 37 -5.266 -1.120 9.873 1.00 30.43 N ATOM 582 CE2 TRP A 37 -4.760 -0.814 8.638 1.00 43.31 C ATOM 583 CE3 TRP A 37 -3.199 0.752 7.685 1.00 24.31 C ATOM 584 CZ2 TRP A 37 -5.024 -1.380 7.390 1.00 70.33 C ATOM 585 CZ3 TRP A 37 -3.455 0.192 6.448 1.00 64.42 C ATOM 586 CH2 TRP A 37 -4.364 -0.860 6.308 1.00 51.04 C ATOM 0 H TRP A 37 -1.859 3.590 11.813 1.00 55.01 H new ATOM 0 HA TRP A 37 -4.047 3.368 10.038 1.00 12.21 H new ATOM 0 HB2 TRP A 37 -2.099 1.794 10.297 1.00 54.31 H new ATOM 0 HB3 TRP A 37 -2.721 1.306 11.861 1.00 54.31 H new ATOM 0 HD1 TRP A 37 -4.910 -0.329 11.866 1.00 34.24 H new ATOM 0 HE1 TRP A 37 -5.954 -1.848 10.066 1.00 30.43 H new ATOM 0 HE3 TRP A 37 -2.500 1.569 7.782 1.00 24.31 H new ATOM 0 HZ2 TRP A 37 -5.722 -2.197 7.281 1.00 70.33 H new ATOM 0 HZ3 TRP A 37 -2.945 0.573 5.576 1.00 64.42 H new ATOM 0 HH2 TRP A 37 -4.550 -1.271 5.327 1.00 51.04 H new ATOM 597 N LEU A 38 -4.733 2.750 13.225 1.00 12.23 N ATOM 598 CA LEU A 38 -5.815 2.595 14.213 1.00 25.34 C ATOM 599 C LEU A 38 -6.482 3.950 14.521 1.00 65.24 C ATOM 600 O LEU A 38 -7.626 3.990 14.988 1.00 73.21 O ATOM 601 CB LEU A 38 -5.259 1.915 15.494 1.00 41.33 C ATOM 602 CG LEU A 38 -4.662 0.484 15.269 1.00 72.24 C ATOM 603 CD1 LEU A 38 -4.065 -0.097 16.565 1.00 20.42 C ATOM 604 CD2 LEU A 38 -5.715 -0.468 14.660 1.00 61.31 C ATOM 0 H LEU A 38 -3.797 2.709 13.629 1.00 12.23 H new ATOM 0 HA LEU A 38 -6.591 1.952 13.797 1.00 25.34 H new ATOM 0 HB2 LEU A 38 -4.486 2.553 15.921 1.00 41.33 H new ATOM 0 HB3 LEU A 38 -6.060 1.848 16.230 1.00 41.33 H new ATOM 0 HG LEU A 38 -3.845 0.581 14.554 1.00 72.24 H new ATOM 0 HD11 LEU A 38 -3.662 -1.090 16.367 1.00 20.42 H new ATOM 0 HD12 LEU A 38 -3.267 0.554 16.922 1.00 20.42 H new ATOM 0 HD13 LEU A 38 -4.843 -0.167 17.325 1.00 20.42 H new ATOM 0 HD21 LEU A 38 -5.273 -1.454 14.515 1.00 61.31 H new ATOM 0 HD22 LEU A 38 -6.567 -0.548 15.335 1.00 61.31 H new ATOM 0 HD23 LEU A 38 -6.049 -0.075 13.700 1.00 61.31 H new ATOM 616 N SER A 39 -5.751 5.050 14.249 1.00 62.23 N ATOM 617 CA SER A 39 -6.281 6.420 14.349 1.00 24.12 C ATOM 618 C SER A 39 -7.155 6.771 13.124 1.00 32.03 C ATOM 619 O SER A 39 -8.030 7.640 13.218 1.00 4.03 O ATOM 620 CB SER A 39 -5.121 7.436 14.498 1.00 75.44 C ATOM 621 OG SER A 39 -4.342 7.161 15.655 1.00 33.10 O ATOM 0 H SER A 39 -4.776 5.011 13.954 1.00 62.23 H new ATOM 0 HA SER A 39 -6.911 6.475 15.236 1.00 24.12 H new ATOM 0 HB2 SER A 39 -4.487 7.400 13.612 1.00 75.44 H new ATOM 0 HB3 SER A 39 -5.525 8.447 14.560 1.00 75.44 H new ATOM 0 HG SER A 39 -3.827 6.339 15.515 1.00 33.10 H new ATOM 627 N LEU A 40 -6.925 6.090 11.976 1.00 55.43 N ATOM 628 CA LEU A 40 -7.686 6.317 10.727 1.00 55.13 C ATOM 629 C LEU A 40 -8.712 5.190 10.507 1.00 52.53 C ATOM 630 O LEU A 40 -8.663 4.142 11.162 1.00 72.14 O ATOM 631 CB LEU A 40 -6.733 6.416 9.488 1.00 43.34 C ATOM 632 CG LEU A 40 -5.697 7.586 9.494 1.00 44.15 C ATOM 633 CD1 LEU A 40 -4.872 7.599 8.194 1.00 33.15 C ATOM 634 CD2 LEU A 40 -6.372 8.948 9.747 1.00 51.51 C ATOM 0 H LEU A 40 -6.208 5.370 11.891 1.00 55.43 H new ATOM 0 HA LEU A 40 -8.213 7.266 10.831 1.00 55.13 H new ATOM 0 HB2 LEU A 40 -6.186 5.477 9.403 1.00 43.34 H new ATOM 0 HB3 LEU A 40 -7.347 6.509 8.592 1.00 43.34 H new ATOM 0 HG LEU A 40 -5.012 7.412 10.323 1.00 44.15 H new ATOM 0 HD11 LEU A 40 -4.159 8.423 8.224 1.00 33.15 H new ATOM 0 HD12 LEU A 40 -4.334 6.656 8.095 1.00 33.15 H new ATOM 0 HD13 LEU A 40 -5.539 7.727 7.341 1.00 33.15 H new ATOM 0 HD21 LEU A 40 -5.617 9.734 9.743 1.00 51.51 H new ATOM 0 HD22 LEU A 40 -7.103 9.143 8.962 1.00 51.51 H new ATOM 0 HD23 LEU A 40 -6.874 8.931 10.714 1.00 51.51 H new ATOM 646 N LYS A 41 -9.636 5.437 9.574 1.00 11.02 N ATOM 647 CA LYS A 41 -10.672 4.477 9.132 1.00 75.40 C ATOM 648 C LYS A 41 -10.412 4.087 7.664 1.00 45.52 C ATOM 649 O LYS A 41 -9.800 4.868 6.922 1.00 65.10 O ATOM 650 CB LYS A 41 -12.081 5.115 9.298 1.00 44.41 C ATOM 651 CG LYS A 41 -12.239 6.485 8.612 1.00 21.14 C ATOM 652 CD LYS A 41 -13.601 7.154 8.896 1.00 65.21 C ATOM 653 CE LYS A 41 -13.681 8.583 8.328 1.00 43.31 C ATOM 654 NZ LYS A 41 -13.500 8.622 6.852 1.00 42.52 N ATOM 0 H LYS A 41 -9.692 6.332 9.088 1.00 11.02 H new ATOM 0 HA LYS A 41 -10.631 3.576 9.744 1.00 75.40 H new ATOM 0 HB2 LYS A 41 -12.827 4.431 8.894 1.00 44.41 H new ATOM 0 HB3 LYS A 41 -12.294 5.227 10.361 1.00 44.41 H new ATOM 0 HG2 LYS A 41 -11.440 7.146 8.947 1.00 21.14 H new ATOM 0 HG3 LYS A 41 -12.120 6.361 7.536 1.00 21.14 H new ATOM 0 HD2 LYS A 41 -14.398 6.549 8.464 1.00 65.21 H new ATOM 0 HD3 LYS A 41 -13.771 7.183 9.972 1.00 65.21 H new ATOM 0 HE2 LYS A 41 -14.647 9.018 8.584 1.00 43.31 H new ATOM 0 HE3 LYS A 41 -12.918 9.201 8.801 1.00 43.31 H new ATOM 0 HZ1 LYS A 41 -13.596 9.602 6.516 1.00 42.52 H new ATOM 0 HZ2 LYS A 41 -12.554 8.264 6.609 1.00 42.52 H new ATOM 0 HZ3 LYS A 41 -14.223 8.028 6.398 1.00 42.52 H new ATOM 668 N VAL A 42 -10.846 2.871 7.259 1.00 32.44 N ATOM 669 CA VAL A 42 -10.655 2.363 5.883 1.00 74.42 C ATOM 670 C VAL A 42 -11.414 3.261 4.878 1.00 41.44 C ATOM 671 O VAL A 42 -12.640 3.399 4.972 1.00 52.32 O ATOM 672 CB VAL A 42 -11.130 0.865 5.741 1.00 45.41 C ATOM 673 CG1 VAL A 42 -10.872 0.320 4.316 1.00 11.01 C ATOM 674 CG2 VAL A 42 -10.450 -0.040 6.794 1.00 35.30 C ATOM 0 H VAL A 42 -11.335 2.219 7.873 1.00 32.44 H new ATOM 0 HA VAL A 42 -9.588 2.392 5.662 1.00 74.42 H new ATOM 0 HB VAL A 42 -12.205 0.851 5.919 1.00 45.41 H new ATOM 0 HG11 VAL A 42 -11.211 -0.714 4.255 1.00 11.01 H new ATOM 0 HG12 VAL A 42 -11.417 0.924 3.591 1.00 11.01 H new ATOM 0 HG13 VAL A 42 -9.805 0.365 4.097 1.00 11.01 H new ATOM 0 HG21 VAL A 42 -10.797 -1.066 6.671 1.00 35.30 H new ATOM 0 HG22 VAL A 42 -9.369 -0.004 6.661 1.00 35.30 H new ATOM 0 HG23 VAL A 42 -10.704 0.311 7.794 1.00 35.30 H new ATOM 684 N ALA A 43 -10.669 3.890 3.948 1.00 1.22 N ATOM 685 CA ALA A 43 -11.240 4.827 2.956 1.00 54.24 C ATOM 686 C ALA A 43 -11.748 4.046 1.738 1.00 75.11 C ATOM 687 O ALA A 43 -12.829 4.319 1.202 1.00 63.32 O ATOM 688 CB ALA A 43 -10.184 5.878 2.557 1.00 20.22 C ATOM 0 H ALA A 43 -9.660 3.765 3.862 1.00 1.22 H new ATOM 0 HA ALA A 43 -12.087 5.355 3.394 1.00 54.24 H new ATOM 0 HB1 ALA A 43 -10.612 6.564 1.826 1.00 20.22 H new ATOM 0 HB2 ALA A 43 -9.874 6.436 3.441 1.00 20.22 H new ATOM 0 HB3 ALA A 43 -9.319 5.378 2.122 1.00 20.22 H new ATOM 694 N HIS A 44 -10.940 3.066 1.331 1.00 41.13 N ATOM 695 CA HIS A 44 -11.243 2.133 0.242 1.00 21.10 C ATOM 696 C HIS A 44 -10.612 0.764 0.547 1.00 60.41 C ATOM 697 O HIS A 44 -9.602 0.680 1.246 1.00 62.11 O ATOM 698 CB HIS A 44 -10.695 2.694 -1.098 1.00 13.35 C ATOM 699 CG HIS A 44 -10.859 1.760 -2.281 1.00 74.05 C ATOM 700 ND1 HIS A 44 -12.057 1.652 -2.938 1.00 32.32 N ATOM 701 CD2 HIS A 44 -9.971 0.892 -2.844 1.00 42.42 C ATOM 702 CE1 HIS A 44 -11.874 0.736 -3.868 1.00 23.54 C ATOM 703 NE2 HIS A 44 -10.630 0.248 -3.850 1.00 0.22 N ATOM 0 H HIS A 44 -10.031 2.894 1.761 1.00 41.13 H new ATOM 0 HA HIS A 44 -12.323 2.013 0.155 1.00 21.10 H new ATOM 0 HB2 HIS A 44 -11.202 3.633 -1.319 1.00 13.35 H new ATOM 0 HB3 HIS A 44 -9.637 2.924 -0.976 1.00 13.35 H new ATOM 0 HD2 HIS A 44 -8.943 0.743 -2.550 1.00 42.42 H new ATOM 0 HE1 HIS A 44 -12.638 0.418 -4.562 1.00 23.54 H new ATOM 0 HE2 HIS A 44 -10.247 -0.467 -4.468 1.00 0.22 H new ATOM 711 N GLN A 45 -11.218 -0.297 0.002 1.00 73.34 N ATOM 712 CA GLN A 45 -10.656 -1.649 0.036 1.00 12.21 C ATOM 713 C GLN A 45 -11.217 -2.458 -1.148 1.00 75.04 C ATOM 714 O GLN A 45 -12.424 -2.403 -1.434 1.00 53.52 O ATOM 715 CB GLN A 45 -10.950 -2.358 1.390 1.00 45.42 C ATOM 716 CG GLN A 45 -10.274 -3.744 1.537 1.00 23.31 C ATOM 717 CD GLN A 45 -10.480 -4.426 2.887 1.00 50.04 C ATOM 718 OE1 GLN A 45 -9.626 -5.187 3.336 1.00 5.34 O ATOM 719 NE2 GLN A 45 -11.620 -4.188 3.538 1.00 61.20 N ATOM 0 H GLN A 45 -12.117 -0.240 -0.477 1.00 73.34 H new ATOM 0 HA GLN A 45 -9.572 -1.582 -0.054 1.00 12.21 H new ATOM 0 HB2 GLN A 45 -10.617 -1.715 2.205 1.00 45.42 H new ATOM 0 HB3 GLN A 45 -12.028 -2.478 1.499 1.00 45.42 H new ATOM 0 HG2 GLN A 45 -10.654 -4.401 0.754 1.00 23.31 H new ATOM 0 HG3 GLN A 45 -9.204 -3.629 1.365 1.00 23.31 H new ATOM 0 HE21 GLN A 45 -12.311 -3.551 3.141 1.00 61.20 H new ATOM 0 HE22 GLN A 45 -11.801 -4.643 4.433 1.00 61.20 H new ATOM 728 N GLN A 46 -10.335 -3.193 -1.836 1.00 3.31 N ATOM 729 CA GLN A 46 -10.702 -4.051 -2.971 1.00 14.24 C ATOM 730 C GLN A 46 -9.814 -5.292 -2.970 1.00 32.33 C ATOM 731 O GLN A 46 -8.646 -5.224 -2.579 1.00 40.45 O ATOM 732 CB GLN A 46 -10.557 -3.288 -4.315 1.00 60.41 C ATOM 733 CG GLN A 46 -9.114 -2.924 -4.729 1.00 3.42 C ATOM 734 CD GLN A 46 -9.056 -2.184 -6.064 1.00 41.21 C ATOM 735 OE1 GLN A 46 -9.129 -0.967 -6.109 1.00 50.54 O ATOM 736 NE2 GLN A 46 -8.961 -2.913 -7.159 1.00 33.13 N ATOM 0 H GLN A 46 -9.338 -3.210 -1.620 1.00 3.31 H new ATOM 0 HA GLN A 46 -11.746 -4.347 -2.866 1.00 14.24 H new ATOM 0 HB2 GLN A 46 -10.999 -3.895 -5.105 1.00 60.41 H new ATOM 0 HB3 GLN A 46 -11.140 -2.369 -4.254 1.00 60.41 H new ATOM 0 HG2 GLN A 46 -8.663 -2.304 -3.954 1.00 3.42 H new ATOM 0 HG3 GLN A 46 -8.518 -3.834 -4.796 1.00 3.42 H new ATOM 0 HE21 GLN A 46 -8.901 -3.929 -7.092 1.00 33.13 H new ATOM 0 HE22 GLN A 46 -8.947 -2.461 -8.073 1.00 33.13 H new ATOM 745 N VAL A 47 -10.364 -6.428 -3.389 1.00 72.34 N ATOM 746 CA VAL A 47 -9.582 -7.649 -3.598 1.00 40.42 C ATOM 747 C VAL A 47 -9.301 -7.797 -5.103 1.00 52.30 C ATOM 748 O VAL A 47 -10.190 -7.552 -5.927 1.00 55.32 O ATOM 749 CB VAL A 47 -10.339 -8.916 -3.047 1.00 43.41 C ATOM 750 CG1 VAL A 47 -9.498 -10.197 -3.229 1.00 23.00 C ATOM 751 CG2 VAL A 47 -10.753 -8.731 -1.563 1.00 33.54 C ATOM 0 H VAL A 47 -11.358 -6.531 -3.593 1.00 72.34 H new ATOM 0 HA VAL A 47 -8.643 -7.573 -3.049 1.00 40.42 H new ATOM 0 HB VAL A 47 -11.251 -9.028 -3.634 1.00 43.41 H new ATOM 0 HG11 VAL A 47 -10.049 -11.053 -2.839 1.00 23.00 H new ATOM 0 HG12 VAL A 47 -9.293 -10.350 -4.289 1.00 23.00 H new ATOM 0 HG13 VAL A 47 -8.557 -10.094 -2.689 1.00 23.00 H new ATOM 0 HG21 VAL A 47 -11.273 -9.624 -1.216 1.00 33.54 H new ATOM 0 HG22 VAL A 47 -9.863 -8.570 -0.954 1.00 33.54 H new ATOM 0 HG23 VAL A 47 -11.414 -7.869 -1.474 1.00 33.54 H new ATOM 761 N LEU A 48 -8.059 -8.161 -5.452 1.00 34.33 N ATOM 762 CA LEU A 48 -7.648 -8.451 -6.833 1.00 4.23 C ATOM 763 C LEU A 48 -7.047 -9.863 -6.861 1.00 15.15 C ATOM 764 O LEU A 48 -6.126 -10.136 -6.091 1.00 62.33 O ATOM 765 CB LEU A 48 -6.617 -7.405 -7.362 1.00 52.50 C ATOM 766 CG LEU A 48 -7.159 -5.967 -7.599 1.00 50.32 C ATOM 767 CD1 LEU A 48 -6.072 -5.050 -8.206 1.00 72.14 C ATOM 768 CD2 LEU A 48 -8.424 -5.995 -8.481 1.00 63.44 C ATOM 0 H LEU A 48 -7.303 -8.264 -4.775 1.00 34.33 H new ATOM 0 HA LEU A 48 -8.517 -8.392 -7.488 1.00 4.23 H new ATOM 0 HB2 LEU A 48 -5.792 -7.348 -6.652 1.00 52.50 H new ATOM 0 HB3 LEU A 48 -6.204 -7.775 -8.301 1.00 52.50 H new ATOM 0 HG LEU A 48 -7.435 -5.550 -6.631 1.00 50.32 H new ATOM 0 HD11 LEU A 48 -6.482 -4.052 -8.360 1.00 72.14 H new ATOM 0 HD12 LEU A 48 -5.223 -4.992 -7.525 1.00 72.14 H new ATOM 0 HD13 LEU A 48 -5.744 -5.458 -9.162 1.00 72.14 H new ATOM 0 HD21 LEU A 48 -8.784 -4.978 -8.633 1.00 63.44 H new ATOM 0 HD22 LEU A 48 -8.185 -6.443 -9.446 1.00 63.44 H new ATOM 0 HD23 LEU A 48 -9.198 -6.584 -7.989 1.00 63.44 H new ATOM 780 N PRO A 49 -7.541 -10.781 -7.742 1.00 14.01 N ATOM 781 CA PRO A 49 -7.086 -12.182 -7.754 1.00 22.35 C ATOM 782 C PRO A 49 -5.664 -12.297 -8.326 1.00 53.21 C ATOM 783 O PRO A 49 -5.431 -11.960 -9.490 1.00 45.02 O ATOM 784 CB PRO A 49 -8.145 -12.889 -8.635 1.00 3.20 C ATOM 785 CG PRO A 49 -8.627 -11.831 -9.581 1.00 1.33 C ATOM 786 CD PRO A 49 -8.534 -10.516 -8.826 1.00 0.14 C ATOM 0 HA PRO A 49 -7.014 -12.628 -6.762 1.00 22.35 H new ATOM 0 HB2 PRO A 49 -7.712 -13.733 -9.173 1.00 3.20 H new ATOM 0 HB3 PRO A 49 -8.963 -13.282 -8.031 1.00 3.20 H new ATOM 0 HG2 PRO A 49 -8.015 -11.807 -10.483 1.00 1.33 H new ATOM 0 HG3 PRO A 49 -9.652 -12.028 -9.896 1.00 1.33 H new ATOM 0 HD2 PRO A 49 -8.205 -9.706 -9.477 1.00 0.14 H new ATOM 0 HD3 PRO A 49 -9.501 -10.223 -8.417 1.00 0.14 H new ATOM 794 N TRP A 50 -4.701 -12.716 -7.488 1.00 42.10 N ATOM 795 CA TRP A 50 -3.314 -12.872 -7.935 1.00 33.30 C ATOM 796 C TRP A 50 -3.164 -14.260 -8.580 1.00 32.04 C ATOM 797 O TRP A 50 -3.175 -15.271 -7.886 1.00 43.34 O ATOM 798 CB TRP A 50 -2.306 -12.679 -6.765 1.00 74.31 C ATOM 799 CG TRP A 50 -0.900 -12.459 -7.279 1.00 14.22 C ATOM 800 CD1 TRP A 50 -0.058 -13.394 -7.828 1.00 61.32 C ATOM 801 CD2 TRP A 50 -0.194 -11.211 -7.340 1.00 55.13 C ATOM 802 NE1 TRP A 50 1.095 -12.797 -8.236 1.00 24.34 N ATOM 803 CE2 TRP A 50 1.048 -11.464 -7.938 1.00 53.11 C ATOM 804 CE3 TRP A 50 -0.490 -9.907 -6.939 1.00 32.14 C ATOM 805 CZ2 TRP A 50 1.988 -10.462 -8.163 1.00 15.44 C ATOM 806 CZ3 TRP A 50 0.444 -8.915 -7.152 1.00 22.34 C ATOM 807 CH2 TRP A 50 1.672 -9.196 -7.759 1.00 0.23 C ATOM 0 H TRP A 50 -4.859 -12.950 -6.508 1.00 42.10 H new ATOM 0 HA TRP A 50 -3.083 -12.099 -8.668 1.00 33.30 H new ATOM 0 HB2 TRP A 50 -2.610 -11.827 -6.157 1.00 74.31 H new ATOM 0 HB3 TRP A 50 -2.325 -13.556 -6.117 1.00 74.31 H new ATOM 0 HD1 TRP A 50 -0.278 -14.447 -7.922 1.00 61.32 H new ATOM 0 HE1 TRP A 50 1.874 -13.271 -8.693 1.00 24.34 H new ATOM 0 HE3 TRP A 50 -1.435 -9.679 -6.469 1.00 32.14 H new ATOM 0 HZ2 TRP A 50 2.933 -10.678 -8.640 1.00 15.44 H new ATOM 0 HZ3 TRP A 50 0.223 -7.903 -6.845 1.00 22.34 H new ATOM 0 HH2 TRP A 50 2.383 -8.398 -7.911 1.00 0.23 H new ATOM 818 N ARG A 51 -3.003 -14.296 -9.902 1.00 35.03 N ATOM 819 CA ARG A 51 -3.008 -15.540 -10.681 1.00 70.12 C ATOM 820 C ARG A 51 -1.602 -15.806 -11.226 1.00 54.52 C ATOM 821 O ARG A 51 -1.117 -15.085 -12.106 1.00 72.25 O ATOM 822 CB ARG A 51 -4.067 -15.397 -11.796 1.00 63.02 C ATOM 823 CG ARG A 51 -4.419 -16.680 -12.583 1.00 35.54 C ATOM 824 CD ARG A 51 -5.689 -16.483 -13.445 1.00 53.23 C ATOM 825 NE ARG A 51 -6.841 -16.051 -12.616 1.00 32.04 N ATOM 826 CZ ARG A 51 -7.888 -15.309 -13.032 1.00 31.10 C ATOM 827 NH1 ARG A 51 -7.985 -14.886 -14.296 1.00 55.53 N ATOM 828 NH2 ARG A 51 -8.842 -14.987 -12.164 1.00 24.10 N ATOM 0 H ARG A 51 -2.864 -13.460 -10.469 1.00 35.03 H new ATOM 0 HA ARG A 51 -3.273 -16.401 -10.067 1.00 70.12 H new ATOM 0 HB2 ARG A 51 -4.982 -15.009 -11.349 1.00 63.02 H new ATOM 0 HB3 ARG A 51 -3.716 -14.647 -12.505 1.00 63.02 H new ATOM 0 HG2 ARG A 51 -3.582 -16.957 -13.224 1.00 35.54 H new ATOM 0 HG3 ARG A 51 -4.574 -17.505 -11.887 1.00 35.54 H new ATOM 0 HD2 ARG A 51 -5.495 -15.739 -14.218 1.00 53.23 H new ATOM 0 HD3 ARG A 51 -5.934 -17.415 -13.954 1.00 53.23 H new ATOM 0 HE ARG A 51 -6.841 -16.343 -11.639 1.00 32.04 H new ATOM 0 HH11 ARG A 51 -7.257 -15.123 -14.970 1.00 55.53 H new ATOM 0 HH12 ARG A 51 -8.787 -14.326 -14.586 1.00 55.53 H new ATOM 0 HH21 ARG A 51 -8.777 -15.301 -11.196 1.00 24.10 H new ATOM 0 HH22 ARG A 51 -9.639 -14.426 -12.466 1.00 24.10 H new ATOM 842 N GLY A 52 -0.942 -16.816 -10.642 1.00 75.11 N ATOM 843 CA GLY A 52 0.418 -17.201 -11.001 1.00 64.32 C ATOM 844 C GLY A 52 1.233 -17.530 -9.762 1.00 60.45 C ATOM 845 O GLY A 52 0.781 -18.299 -8.908 1.00 15.32 O ATOM 0 H GLY A 52 -1.346 -17.390 -9.902 1.00 75.11 H new ATOM 0 HA2 GLY A 52 0.392 -18.065 -11.664 1.00 64.32 H new ATOM 0 HA3 GLY A 52 0.896 -16.391 -11.551 1.00 64.32 H new ATOM 849 N GLU A 53 2.435 -16.955 -9.656 1.00 24.21 N ATOM 850 CA GLU A 53 3.329 -17.139 -8.498 1.00 12.41 C ATOM 851 C GLU A 53 3.827 -15.759 -8.056 1.00 41.13 C ATOM 852 O GLU A 53 4.703 -15.193 -8.702 1.00 12.24 O ATOM 853 CB GLU A 53 4.524 -18.077 -8.855 1.00 24.22 C ATOM 854 CG GLU A 53 4.126 -19.524 -9.231 1.00 61.44 C ATOM 855 CD GLU A 53 5.329 -20.390 -9.645 1.00 42.33 C ATOM 856 OE1 GLU A 53 5.702 -20.376 -10.835 1.00 32.24 O ATOM 857 OE2 GLU A 53 5.908 -21.086 -8.781 1.00 23.43 O ATOM 0 H GLU A 53 2.822 -16.343 -10.375 1.00 24.21 H new ATOM 0 HA GLU A 53 2.785 -17.616 -7.683 1.00 12.41 H new ATOM 0 HB2 GLU A 53 5.075 -17.639 -9.688 1.00 24.22 H new ATOM 0 HB3 GLU A 53 5.206 -18.112 -8.005 1.00 24.22 H new ATOM 0 HG2 GLU A 53 3.625 -19.989 -8.382 1.00 61.44 H new ATOM 0 HG3 GLU A 53 3.407 -19.496 -10.049 1.00 61.44 H new ATOM 864 N PHE A 54 3.235 -15.229 -6.976 1.00 23.20 N ATOM 865 CA PHE A 54 3.537 -13.891 -6.439 1.00 33.23 C ATOM 866 C PHE A 54 5.038 -13.703 -6.136 1.00 15.12 C ATOM 867 O PHE A 54 5.610 -14.440 -5.330 1.00 51.11 O ATOM 868 CB PHE A 54 2.686 -13.645 -5.164 1.00 73.53 C ATOM 869 CG PHE A 54 3.034 -12.368 -4.410 1.00 62.55 C ATOM 870 CD1 PHE A 54 2.584 -11.135 -4.851 1.00 50.22 C ATOM 871 CD2 PHE A 54 3.836 -12.406 -3.278 1.00 22.13 C ATOM 872 CE1 PHE A 54 2.922 -9.976 -4.203 1.00 64.35 C ATOM 873 CE2 PHE A 54 4.174 -11.254 -2.637 1.00 73.42 C ATOM 874 CZ PHE A 54 3.715 -10.035 -3.096 1.00 24.11 C ATOM 0 H PHE A 54 2.521 -15.724 -6.441 1.00 23.20 H new ATOM 0 HA PHE A 54 3.280 -13.157 -7.203 1.00 33.23 H new ATOM 0 HB2 PHE A 54 1.634 -13.610 -5.446 1.00 73.53 H new ATOM 0 HB3 PHE A 54 2.808 -14.494 -4.491 1.00 73.53 H new ATOM 0 HD1 PHE A 54 1.952 -11.086 -5.726 1.00 50.22 H new ATOM 0 HD2 PHE A 54 4.194 -13.354 -2.904 1.00 22.13 H new ATOM 0 HE1 PHE A 54 2.563 -9.024 -4.566 1.00 64.35 H new ATOM 0 HE2 PHE A 54 4.806 -11.293 -1.762 1.00 73.42 H new ATOM 0 HZ PHE A 54 3.985 -9.127 -2.577 1.00 24.11 H new ATOM 884 N HIS A 55 5.651 -12.708 -6.803 1.00 32.41 N ATOM 885 CA HIS A 55 7.041 -12.284 -6.546 1.00 34.51 C ATOM 886 C HIS A 55 7.043 -10.982 -5.712 1.00 33.02 C ATOM 887 O HIS A 55 6.737 -9.903 -6.254 1.00 42.45 O ATOM 888 CB HIS A 55 7.810 -12.079 -7.878 1.00 15.20 C ATOM 889 CG HIS A 55 7.888 -13.320 -8.740 1.00 70.10 C ATOM 890 ND1 HIS A 55 8.863 -14.288 -8.585 1.00 61.12 N ATOM 891 CD2 HIS A 55 7.102 -13.753 -9.756 1.00 51.43 C ATOM 892 CE1 HIS A 55 8.667 -15.251 -9.468 1.00 30.43 C ATOM 893 NE2 HIS A 55 7.607 -14.950 -10.183 1.00 54.42 N ATOM 0 H HIS A 55 5.193 -12.172 -7.540 1.00 32.41 H new ATOM 0 HA HIS A 55 7.549 -13.068 -5.983 1.00 34.51 H new ATOM 0 HB2 HIS A 55 7.327 -11.284 -8.446 1.00 15.20 H new ATOM 0 HB3 HIS A 55 8.822 -11.741 -7.653 1.00 15.20 H new ATOM 0 HD2 HIS A 55 6.236 -13.246 -10.155 1.00 51.43 H new ATOM 0 HE1 HIS A 55 9.275 -16.136 -9.583 1.00 30.43 H new ATOM 0 HE2 HIS A 55 7.222 -15.519 -10.937 1.00 54.42 H new ATOM 902 N PRO A 56 7.374 -11.051 -4.378 1.00 65.10 N ATOM 903 CA PRO A 56 7.454 -9.845 -3.510 1.00 32.34 C ATOM 904 C PRO A 56 8.635 -8.947 -3.883 1.00 1.52 C ATOM 905 O PRO A 56 8.630 -7.766 -3.571 1.00 0.31 O ATOM 906 CB PRO A 56 7.610 -10.435 -2.084 1.00 41.11 C ATOM 907 CG PRO A 56 8.268 -11.763 -2.298 1.00 60.24 C ATOM 908 CD PRO A 56 7.690 -12.291 -3.600 1.00 31.25 C ATOM 0 HA PRO A 56 6.580 -9.201 -3.608 1.00 32.34 H new ATOM 0 HB2 PRO A 56 8.218 -9.788 -1.451 1.00 41.11 H new ATOM 0 HB3 PRO A 56 6.644 -10.545 -1.592 1.00 41.11 H new ATOM 0 HG2 PRO A 56 9.351 -11.660 -2.362 1.00 60.24 H new ATOM 0 HG3 PRO A 56 8.061 -12.443 -1.471 1.00 60.24 H new ATOM 0 HD2 PRO A 56 8.404 -12.923 -4.128 1.00 31.25 H new ATOM 0 HD3 PRO A 56 6.798 -12.893 -3.427 1.00 31.25 H new ATOM 916 N ASP A 57 9.635 -9.555 -4.541 1.00 5.41 N ATOM 917 CA ASP A 57 10.844 -8.875 -5.018 1.00 53.11 C ATOM 918 C ASP A 57 10.484 -7.872 -6.121 1.00 44.12 C ATOM 919 O ASP A 57 10.866 -6.706 -6.056 1.00 3.20 O ATOM 920 CB ASP A 57 11.858 -9.914 -5.576 1.00 2.42 C ATOM 921 CG ASP A 57 12.158 -11.082 -4.621 1.00 23.32 C ATOM 922 OD1 ASP A 57 11.311 -12.003 -4.519 1.00 35.13 O ATOM 923 OD2 ASP A 57 13.236 -11.103 -3.987 1.00 44.21 O ATOM 0 H ASP A 57 9.623 -10.551 -4.759 1.00 5.41 H new ATOM 0 HA ASP A 57 11.297 -8.344 -4.181 1.00 53.11 H new ATOM 0 HB2 ASP A 57 11.470 -10.316 -6.512 1.00 2.42 H new ATOM 0 HB3 ASP A 57 12.792 -9.403 -5.811 1.00 2.42 H new ATOM 928 N THR A 58 9.712 -8.352 -7.117 1.00 11.22 N ATOM 929 CA THR A 58 9.284 -7.540 -8.264 1.00 42.53 C ATOM 930 C THR A 58 8.288 -6.462 -7.804 1.00 63.10 C ATOM 931 O THR A 58 8.329 -5.324 -8.290 1.00 11.11 O ATOM 932 CB THR A 58 8.643 -8.433 -9.376 1.00 12.31 C ATOM 933 OG1 THR A 58 9.471 -9.584 -9.609 1.00 63.55 O ATOM 934 CG2 THR A 58 8.459 -7.672 -10.702 1.00 11.00 C ATOM 0 H THR A 58 9.370 -9.313 -7.145 1.00 11.22 H new ATOM 0 HA THR A 58 10.163 -7.055 -8.687 1.00 42.53 H new ATOM 0 HB THR A 58 7.657 -8.734 -9.021 1.00 12.31 H new ATOM 0 HG1 THR A 58 9.066 -10.143 -10.305 1.00 63.55 H new ATOM 0 HG21 THR A 58 8.011 -8.334 -11.442 1.00 11.00 H new ATOM 0 HG22 THR A 58 7.807 -6.813 -10.541 1.00 11.00 H new ATOM 0 HG23 THR A 58 9.429 -7.329 -11.062 1.00 11.00 H new ATOM 942 N LEU A 59 7.413 -6.844 -6.833 1.00 33.23 N ATOM 943 CA LEU A 59 6.483 -5.913 -6.182 1.00 40.41 C ATOM 944 C LEU A 59 7.260 -4.771 -5.507 1.00 0.32 C ATOM 945 O LEU A 59 7.026 -3.615 -5.808 1.00 13.23 O ATOM 946 CB LEU A 59 5.593 -6.641 -5.136 1.00 34.00 C ATOM 947 CG LEU A 59 4.471 -5.761 -4.489 1.00 44.02 C ATOM 948 CD1 LEU A 59 3.313 -5.473 -5.474 1.00 24.34 C ATOM 949 CD2 LEU A 59 3.945 -6.384 -3.197 1.00 25.42 C ATOM 0 H LEU A 59 7.342 -7.802 -6.490 1.00 33.23 H new ATOM 0 HA LEU A 59 5.831 -5.499 -6.951 1.00 40.41 H new ATOM 0 HB2 LEU A 59 5.127 -7.502 -5.615 1.00 34.00 H new ATOM 0 HB3 LEU A 59 6.233 -7.026 -4.343 1.00 34.00 H new ATOM 0 HG LEU A 59 4.930 -4.804 -4.240 1.00 44.02 H new ATOM 0 HD11 LEU A 59 2.559 -4.860 -4.980 1.00 24.34 H new ATOM 0 HD12 LEU A 59 3.699 -4.943 -6.344 1.00 24.34 H new ATOM 0 HD13 LEU A 59 2.864 -6.414 -5.792 1.00 24.34 H new ATOM 0 HD21 LEU A 59 3.168 -5.746 -2.776 1.00 25.42 H new ATOM 0 HD22 LEU A 59 3.530 -7.369 -3.411 1.00 25.42 H new ATOM 0 HD23 LEU A 59 4.761 -6.482 -2.482 1.00 25.42 H new ATOM 961 N GLN A 60 8.250 -5.154 -4.677 1.00 40.25 N ATOM 962 CA GLN A 60 9.019 -4.236 -3.814 1.00 11.21 C ATOM 963 C GLN A 60 9.793 -3.210 -4.652 1.00 30.13 C ATOM 964 O GLN A 60 9.733 -2.008 -4.385 1.00 55.51 O ATOM 965 CB GLN A 60 9.988 -5.065 -2.930 1.00 23.14 C ATOM 966 CG GLN A 60 10.632 -4.294 -1.768 1.00 31.25 C ATOM 967 CD GLN A 60 11.596 -5.154 -0.944 1.00 70.14 C ATOM 968 OE1 GLN A 60 12.262 -6.049 -1.472 1.00 15.44 O ATOM 969 NE2 GLN A 60 11.671 -4.903 0.350 1.00 61.11 N ATOM 0 H GLN A 60 8.543 -6.127 -4.586 1.00 40.25 H new ATOM 0 HA GLN A 60 8.329 -3.683 -3.177 1.00 11.21 H new ATOM 0 HB2 GLN A 60 9.444 -5.917 -2.523 1.00 23.14 H new ATOM 0 HB3 GLN A 60 10.780 -5.465 -3.563 1.00 23.14 H new ATOM 0 HG2 GLN A 60 11.169 -3.432 -2.164 1.00 31.25 H new ATOM 0 HG3 GLN A 60 9.848 -3.909 -1.116 1.00 31.25 H new ATOM 0 HE21 GLN A 60 11.108 -4.157 0.758 1.00 61.11 H new ATOM 0 HE22 GLN A 60 12.292 -5.455 0.942 1.00 61.11 H new ATOM 978 N MET A 61 10.496 -3.714 -5.687 1.00 41.21 N ATOM 979 CA MET A 61 11.260 -2.875 -6.628 1.00 41.04 C ATOM 980 C MET A 61 10.338 -1.874 -7.350 1.00 35.04 C ATOM 981 O MET A 61 10.659 -0.689 -7.435 1.00 3.10 O ATOM 982 CB MET A 61 12.012 -3.758 -7.659 1.00 33.04 C ATOM 983 CG MET A 61 13.097 -4.670 -7.064 1.00 61.45 C ATOM 984 SD MET A 61 13.884 -5.714 -8.313 1.00 14.31 S ATOM 985 CE MET A 61 14.945 -6.754 -7.306 1.00 42.51 C ATOM 0 H MET A 61 10.549 -4.712 -5.892 1.00 41.21 H new ATOM 0 HA MET A 61 11.993 -2.308 -6.054 1.00 41.04 H new ATOM 0 HB2 MET A 61 11.285 -4.378 -8.183 1.00 33.04 H new ATOM 0 HB3 MET A 61 12.472 -3.109 -8.404 1.00 33.04 H new ATOM 0 HG2 MET A 61 13.855 -4.057 -6.577 1.00 61.45 H new ATOM 0 HG3 MET A 61 12.654 -5.301 -6.294 1.00 61.45 H new ATOM 0 HE1 MET A 61 15.490 -7.447 -7.947 1.00 42.51 H new ATOM 0 HE2 MET A 61 15.653 -6.131 -6.760 1.00 42.51 H new ATOM 0 HE3 MET A 61 14.337 -7.317 -6.598 1.00 42.51 H new ATOM 995 N ALA A 62 9.164 -2.361 -7.803 1.00 75.01 N ATOM 996 CA ALA A 62 8.177 -1.541 -8.526 1.00 24.11 C ATOM 997 C ALA A 62 7.595 -0.445 -7.602 1.00 54.11 C ATOM 998 O ALA A 62 7.442 0.708 -8.028 1.00 21.31 O ATOM 999 CB ALA A 62 7.074 -2.444 -9.104 1.00 34.01 C ATOM 0 H ALA A 62 8.877 -3.332 -7.677 1.00 75.01 H new ATOM 0 HA ALA A 62 8.670 -1.034 -9.356 1.00 24.11 H new ATOM 0 HB1 ALA A 62 6.346 -1.833 -9.638 1.00 34.01 H new ATOM 0 HB2 ALA A 62 7.517 -3.165 -9.792 1.00 34.01 H new ATOM 0 HB3 ALA A 62 6.576 -2.975 -8.293 1.00 34.01 H new ATOM 1005 N LEU A 63 7.354 -0.821 -6.313 1.00 32.44 N ATOM 1006 CA LEU A 63 6.850 0.092 -5.261 1.00 33.15 C ATOM 1007 C LEU A 63 7.805 1.276 -5.082 1.00 53.25 C ATOM 1008 O LEU A 63 7.382 2.425 -5.095 1.00 73.00 O ATOM 1009 CB LEU A 63 6.668 -0.657 -3.902 1.00 72.52 C ATOM 1010 CG LEU A 63 5.552 -1.749 -3.857 1.00 4.31 C ATOM 1011 CD1 LEU A 63 5.624 -2.565 -2.549 1.00 52.41 C ATOM 1012 CD2 LEU A 63 4.151 -1.138 -4.058 1.00 62.42 C ATOM 0 H LEU A 63 7.507 -1.773 -5.980 1.00 32.44 H new ATOM 0 HA LEU A 63 5.876 0.463 -5.579 1.00 33.15 H new ATOM 0 HB2 LEU A 63 7.616 -1.126 -3.640 1.00 72.52 H new ATOM 0 HB3 LEU A 63 6.455 0.082 -3.130 1.00 72.52 H new ATOM 0 HG LEU A 63 5.730 -2.433 -4.687 1.00 4.31 H new ATOM 0 HD11 LEU A 63 4.835 -3.317 -2.546 1.00 52.41 H new ATOM 0 HD12 LEU A 63 6.595 -3.056 -2.480 1.00 52.41 H new ATOM 0 HD13 LEU A 63 5.493 -1.898 -1.697 1.00 52.41 H new ATOM 0 HD21 LEU A 63 3.401 -1.928 -4.021 1.00 62.42 H new ATOM 0 HD22 LEU A 63 3.954 -0.413 -3.269 1.00 62.42 H new ATOM 0 HD23 LEU A 63 4.106 -0.641 -5.027 1.00 62.42 H new ATOM 1024 N GLN A 64 9.103 0.965 -4.944 1.00 20.33 N ATOM 1025 CA GLN A 64 10.170 1.978 -4.847 1.00 62.33 C ATOM 1026 C GLN A 64 10.170 2.950 -6.061 1.00 3.12 C ATOM 1027 O GLN A 64 10.313 4.167 -5.869 1.00 72.50 O ATOM 1028 CB GLN A 64 11.558 1.289 -4.636 1.00 70.55 C ATOM 1029 CG GLN A 64 11.966 1.094 -3.147 1.00 25.21 C ATOM 1030 CD GLN A 64 10.949 0.330 -2.277 1.00 1.52 C ATOM 1031 OE1 GLN A 64 10.055 0.914 -1.664 1.00 62.12 O ATOM 1032 NE2 GLN A 64 11.097 -0.971 -2.188 1.00 72.21 N ATOM 0 H GLN A 64 9.444 0.005 -4.896 1.00 20.33 H new ATOM 0 HA GLN A 64 9.968 2.596 -3.972 1.00 62.33 H new ATOM 0 HB2 GLN A 64 11.543 0.315 -5.125 1.00 70.55 H new ATOM 0 HB3 GLN A 64 12.324 1.884 -5.134 1.00 70.55 H new ATOM 0 HG2 GLN A 64 12.917 0.563 -3.115 1.00 25.21 H new ATOM 0 HG3 GLN A 64 12.134 2.075 -2.703 1.00 25.21 H new ATOM 0 HE21 GLN A 64 11.844 -1.436 -2.704 1.00 72.21 H new ATOM 0 HE22 GLN A 64 10.465 -1.517 -1.603 1.00 72.21 H new ATOM 1041 N VAL A 65 9.929 2.429 -7.288 1.00 30.32 N ATOM 1042 CA VAL A 65 9.929 3.251 -8.529 1.00 22.11 C ATOM 1043 C VAL A 65 8.702 4.194 -8.580 1.00 72.42 C ATOM 1044 O VAL A 65 8.747 5.262 -9.210 1.00 75.52 O ATOM 1045 CB VAL A 65 9.974 2.331 -9.817 1.00 34.15 C ATOM 1046 CG1 VAL A 65 9.972 3.149 -11.134 1.00 63.42 C ATOM 1047 CG2 VAL A 65 11.199 1.395 -9.773 1.00 34.23 C ATOM 0 H VAL A 65 9.731 1.441 -7.448 1.00 30.32 H new ATOM 0 HA VAL A 65 10.828 3.868 -8.514 1.00 22.11 H new ATOM 0 HB VAL A 65 9.063 1.733 -9.808 1.00 34.15 H new ATOM 0 HG11 VAL A 65 10.004 2.469 -11.985 1.00 63.42 H new ATOM 0 HG12 VAL A 65 9.066 3.753 -11.186 1.00 63.42 H new ATOM 0 HG13 VAL A 65 10.845 3.801 -11.158 1.00 63.42 H new ATOM 0 HG21 VAL A 65 11.212 0.771 -10.667 1.00 34.23 H new ATOM 0 HG22 VAL A 65 12.111 1.991 -9.733 1.00 34.23 H new ATOM 0 HG23 VAL A 65 11.141 0.761 -8.888 1.00 34.23 H new ATOM 1057 N VAL A 66 7.613 3.802 -7.899 1.00 73.13 N ATOM 1058 CA VAL A 66 6.383 4.616 -7.810 1.00 1.35 C ATOM 1059 C VAL A 66 6.238 5.278 -6.413 1.00 53.21 C ATOM 1060 O VAL A 66 5.141 5.718 -6.041 1.00 20.22 O ATOM 1061 CB VAL A 66 5.110 3.758 -8.153 1.00 62.14 C ATOM 1062 CG1 VAL A 66 5.169 3.209 -9.595 1.00 41.33 C ATOM 1063 CG2 VAL A 66 4.910 2.618 -7.134 1.00 33.50 C ATOM 0 H VAL A 66 7.557 2.917 -7.396 1.00 73.13 H new ATOM 0 HA VAL A 66 6.467 5.413 -8.549 1.00 1.35 H new ATOM 0 HB VAL A 66 4.246 4.419 -8.087 1.00 62.14 H new ATOM 0 HG11 VAL A 66 4.274 2.621 -9.797 1.00 41.33 H new ATOM 0 HG12 VAL A 66 5.225 4.040 -10.299 1.00 41.33 H new ATOM 0 HG13 VAL A 66 6.051 2.578 -9.708 1.00 41.33 H new ATOM 0 HG21 VAL A 66 4.022 2.044 -7.400 1.00 33.50 H new ATOM 0 HG22 VAL A 66 5.782 1.963 -7.145 1.00 33.50 H new ATOM 0 HG23 VAL A 66 4.785 3.039 -6.137 1.00 33.50 H new ATOM 1073 N ASN A 67 7.361 5.336 -5.654 1.00 42.51 N ATOM 1074 CA ASN A 67 7.478 6.124 -4.391 1.00 75.52 C ATOM 1075 C ASN A 67 6.536 5.615 -3.260 1.00 22.24 C ATOM 1076 O ASN A 67 6.172 6.375 -2.351 1.00 31.44 O ATOM 1077 CB ASN A 67 7.216 7.640 -4.676 1.00 74.55 C ATOM 1078 CG ASN A 67 8.190 8.266 -5.691 1.00 13.45 C ATOM 1079 OD1 ASN A 67 8.024 8.124 -6.905 1.00 74.35 O ATOM 1080 ND2 ASN A 67 9.193 8.989 -5.216 1.00 32.30 N ATOM 0 H ASN A 67 8.217 4.837 -5.898 1.00 42.51 H new ATOM 0 HA ASN A 67 8.497 5.987 -4.029 1.00 75.52 H new ATOM 0 HB2 ASN A 67 6.197 7.759 -5.045 1.00 74.55 H new ATOM 0 HB3 ASN A 67 7.281 8.192 -3.738 1.00 74.55 H new ATOM 0 HD21 ASN A 67 9.845 9.440 -5.858 1.00 32.30 H new ATOM 0 HD22 ASN A 67 9.313 9.094 -4.209 1.00 32.30 H new ATOM 1087 N ILE A 68 6.186 4.319 -3.294 1.00 24.34 N ATOM 1088 CA ILE A 68 5.388 3.667 -2.240 1.00 2.40 C ATOM 1089 C ILE A 68 6.353 3.066 -1.200 1.00 71.44 C ATOM 1090 O ILE A 68 7.026 2.060 -1.464 1.00 51.12 O ATOM 1091 CB ILE A 68 4.452 2.549 -2.826 1.00 21.43 C ATOM 1092 CG1 ILE A 68 3.448 3.136 -3.861 1.00 75.13 C ATOM 1093 CG2 ILE A 68 3.696 1.792 -1.705 1.00 74.14 C ATOM 1094 CD1 ILE A 68 2.447 4.120 -3.292 1.00 14.24 C ATOM 0 H ILE A 68 6.448 3.692 -4.054 1.00 24.34 H new ATOM 0 HA ILE A 68 4.742 4.411 -1.774 1.00 2.40 H new ATOM 0 HB ILE A 68 5.093 1.833 -3.341 1.00 21.43 H new ATOM 0 HG12 ILE A 68 4.012 3.630 -4.652 1.00 75.13 H new ATOM 0 HG13 ILE A 68 2.903 2.313 -4.324 1.00 75.13 H new ATOM 0 HG21 ILE A 68 3.059 1.027 -2.148 1.00 74.14 H new ATOM 0 HG22 ILE A 68 4.415 1.321 -1.035 1.00 74.14 H new ATOM 0 HG23 ILE A 68 3.081 2.495 -1.142 1.00 74.14 H new ATOM 0 HD11 ILE A 68 1.791 4.473 -4.088 1.00 14.24 H new ATOM 0 HD12 ILE A 68 1.851 3.629 -2.522 1.00 14.24 H new ATOM 0 HD13 ILE A 68 2.977 4.967 -2.856 1.00 14.24 H new ATOM 1106 N GLN A 69 6.430 3.735 -0.053 1.00 61.45 N ATOM 1107 CA GLN A 69 7.345 3.413 1.054 1.00 23.11 C ATOM 1108 C GLN A 69 6.952 2.079 1.729 1.00 71.25 C ATOM 1109 O GLN A 69 5.834 1.935 2.208 1.00 54.22 O ATOM 1110 CB GLN A 69 7.286 4.601 2.048 1.00 73.52 C ATOM 1111 CG GLN A 69 8.213 4.520 3.265 1.00 60.12 C ATOM 1112 CD GLN A 69 8.187 5.826 4.065 1.00 35.23 C ATOM 1113 OE1 GLN A 69 8.984 6.732 3.813 1.00 72.45 O ATOM 1114 NE2 GLN A 69 7.254 5.951 4.998 1.00 24.41 N ATOM 0 H GLN A 69 5.841 4.544 0.145 1.00 61.45 H new ATOM 0 HA GLN A 69 8.364 3.277 0.691 1.00 23.11 H new ATOM 0 HB2 GLN A 69 7.519 5.515 1.502 1.00 73.52 H new ATOM 0 HB3 GLN A 69 6.261 4.696 2.406 1.00 73.52 H new ATOM 0 HG2 GLN A 69 7.907 3.692 3.904 1.00 60.12 H new ATOM 0 HG3 GLN A 69 9.231 4.311 2.937 1.00 60.12 H new ATOM 0 HE21 GLN A 69 6.610 5.182 5.182 1.00 24.41 H new ATOM 0 HE22 GLN A 69 7.180 6.817 5.532 1.00 24.41 H new ATOM 1123 N THR A 70 7.886 1.120 1.791 1.00 63.43 N ATOM 1124 CA THR A 70 7.623 -0.217 2.340 1.00 34.52 C ATOM 1125 C THR A 70 8.016 -0.231 3.833 1.00 33.45 C ATOM 1126 O THR A 70 9.201 -0.166 4.178 1.00 33.15 O ATOM 1127 CB THR A 70 8.413 -1.307 1.539 1.00 10.51 C ATOM 1128 OG1 THR A 70 8.074 -1.227 0.141 1.00 62.42 O ATOM 1129 CG2 THR A 70 8.119 -2.732 2.044 1.00 34.41 C ATOM 0 H THR A 70 8.843 1.249 1.463 1.00 63.43 H new ATOM 0 HA THR A 70 6.562 -0.449 2.247 1.00 34.52 H new ATOM 0 HB THR A 70 9.474 -1.109 1.689 1.00 10.51 H new ATOM 0 HG1 THR A 70 8.572 -1.909 -0.356 1.00 62.42 H new ATOM 0 HG21 THR A 70 8.690 -3.451 1.457 1.00 34.41 H new ATOM 0 HG22 THR A 70 8.404 -2.812 3.093 1.00 34.41 H new ATOM 0 HG23 THR A 70 7.055 -2.943 1.940 1.00 34.41 H new ATOM 1137 N ILE A 71 7.007 -0.258 4.707 1.00 25.31 N ATOM 1138 CA ILE A 71 7.197 -0.261 6.168 1.00 33.23 C ATOM 1139 C ILE A 71 7.490 -1.691 6.642 1.00 2.02 C ATOM 1140 O ILE A 71 8.435 -1.927 7.402 1.00 22.14 O ATOM 1141 CB ILE A 71 5.920 0.315 6.888 1.00 35.01 C ATOM 1142 CG1 ILE A 71 5.561 1.721 6.313 1.00 33.13 C ATOM 1143 CG2 ILE A 71 6.097 0.363 8.422 1.00 13.11 C ATOM 1144 CD1 ILE A 71 6.671 2.758 6.403 1.00 42.41 C ATOM 0 H ILE A 71 6.027 -0.279 4.424 1.00 25.31 H new ATOM 0 HA ILE A 71 8.043 0.377 6.423 1.00 33.23 H new ATOM 0 HB ILE A 71 5.089 -0.362 6.688 1.00 35.01 H new ATOM 0 HG12 ILE A 71 5.276 1.607 5.267 1.00 33.13 H new ATOM 0 HG13 ILE A 71 4.687 2.100 6.842 1.00 33.13 H new ATOM 0 HG21 ILE A 71 5.194 0.766 8.880 1.00 13.11 H new ATOM 0 HG22 ILE A 71 6.277 -0.644 8.799 1.00 13.11 H new ATOM 0 HG23 ILE A 71 6.946 1.000 8.671 1.00 13.11 H new ATOM 0 HD11 ILE A 71 6.324 3.700 5.978 1.00 42.41 H new ATOM 0 HD12 ILE A 71 6.943 2.910 7.447 1.00 42.41 H new ATOM 0 HD13 ILE A 71 7.542 2.408 5.848 1.00 42.41 H new ATOM 1156 N ALA A 72 6.668 -2.638 6.164 1.00 52.32 N ATOM 1157 CA ALA A 72 6.844 -4.076 6.425 1.00 71.22 C ATOM 1158 C ALA A 72 6.502 -4.876 5.159 1.00 3.53 C ATOM 1159 O ALA A 72 5.734 -4.408 4.310 1.00 10.40 O ATOM 1160 CB ALA A 72 5.972 -4.524 7.618 1.00 21.24 C ATOM 0 H ALA A 72 5.857 -2.427 5.582 1.00 52.32 H new ATOM 0 HA ALA A 72 7.885 -4.266 6.688 1.00 71.22 H new ATOM 0 HB1 ALA A 72 6.117 -5.590 7.794 1.00 21.24 H new ATOM 0 HB2 ALA A 72 6.260 -3.966 8.509 1.00 21.24 H new ATOM 0 HB3 ALA A 72 4.923 -4.332 7.394 1.00 21.24 H new ATOM 1166 N MET A 73 7.095 -6.070 5.046 1.00 21.54 N ATOM 1167 CA MET A 73 6.879 -6.994 3.927 1.00 41.32 C ATOM 1168 C MET A 73 7.221 -8.418 4.385 1.00 21.13 C ATOM 1169 O MET A 73 8.348 -8.673 4.832 1.00 71.40 O ATOM 1170 CB MET A 73 7.736 -6.577 2.693 1.00 61.13 C ATOM 1171 CG MET A 73 7.665 -7.543 1.494 1.00 12.30 C ATOM 1172 SD MET A 73 8.249 -6.817 -0.052 1.00 34.24 S ATOM 1173 CE MET A 73 6.973 -5.591 -0.378 1.00 72.52 C ATOM 0 H MET A 73 7.750 -6.427 5.742 1.00 21.54 H new ATOM 0 HA MET A 73 5.834 -6.959 3.620 1.00 41.32 H new ATOM 0 HB2 MET A 73 7.415 -5.589 2.364 1.00 61.13 H new ATOM 0 HB3 MET A 73 8.776 -6.486 3.006 1.00 61.13 H new ATOM 0 HG2 MET A 73 8.258 -8.430 1.717 1.00 12.30 H new ATOM 0 HG3 MET A 73 6.634 -7.873 1.364 1.00 12.30 H new ATOM 0 HE1 MET A 73 6.832 -5.490 -1.454 1.00 72.52 H new ATOM 0 HE2 MET A 73 6.037 -5.909 0.082 1.00 72.52 H new ATOM 0 HE3 MET A 73 7.275 -4.631 0.040 1.00 72.52 H new ATOM 1183 N SER A 74 6.243 -9.334 4.276 1.00 51.43 N ATOM 1184 CA SER A 74 6.398 -10.745 4.668 1.00 53.22 C ATOM 1185 C SER A 74 7.316 -11.468 3.676 1.00 51.44 C ATOM 1186 O SER A 74 7.544 -10.990 2.554 1.00 43.23 O ATOM 1187 CB SER A 74 5.017 -11.442 4.739 1.00 32.31 C ATOM 1188 OG SER A 74 5.120 -12.820 5.083 1.00 64.50 O ATOM 0 H SER A 74 5.316 -9.114 3.911 1.00 51.43 H new ATOM 0 HA SER A 74 6.852 -10.787 5.658 1.00 53.22 H new ATOM 0 HB2 SER A 74 4.394 -10.933 5.474 1.00 32.31 H new ATOM 0 HB3 SER A 74 4.516 -11.348 3.776 1.00 32.31 H new ATOM 0 HG SER A 74 4.224 -13.216 5.117 1.00 64.50 H new ATOM 1194 N ARG A 75 7.811 -12.633 4.082 1.00 52.54 N ATOM 1195 CA ARG A 75 8.844 -13.364 3.348 1.00 2.25 C ATOM 1196 C ARG A 75 8.208 -14.217 2.236 1.00 4.12 C ATOM 1197 O ARG A 75 7.049 -14.638 2.352 1.00 52.51 O ATOM 1198 CB ARG A 75 9.653 -14.207 4.362 1.00 32.15 C ATOM 1199 CG ARG A 75 10.314 -13.345 5.467 1.00 61.20 C ATOM 1200 CD ARG A 75 11.129 -14.166 6.479 1.00 42.11 C ATOM 1201 NE ARG A 75 11.622 -13.330 7.598 1.00 41.01 N ATOM 1202 CZ ARG A 75 11.021 -13.202 8.793 1.00 75.11 C ATOM 1203 NH1 ARG A 75 9.881 -13.837 9.053 1.00 64.11 N ATOM 1204 NH2 ARG A 75 11.572 -12.436 9.730 1.00 4.12 N ATOM 0 H ARG A 75 7.506 -13.101 4.935 1.00 52.54 H new ATOM 0 HA ARG A 75 9.528 -12.677 2.850 1.00 2.25 H new ATOM 0 HB2 ARG A 75 8.994 -14.941 4.826 1.00 32.15 H new ATOM 0 HB3 ARG A 75 10.425 -14.763 3.831 1.00 32.15 H new ATOM 0 HG2 ARG A 75 10.967 -12.607 5.000 1.00 61.20 H new ATOM 0 HG3 ARG A 75 9.539 -12.793 5.999 1.00 61.20 H new ATOM 0 HD2 ARG A 75 10.511 -14.973 6.873 1.00 42.11 H new ATOM 0 HD3 ARG A 75 11.975 -14.630 5.972 1.00 42.11 H new ATOM 0 HE ARG A 75 12.487 -12.810 7.450 1.00 41.01 H new ATOM 0 HH11 ARG A 75 9.453 -14.429 8.341 1.00 64.11 H new ATOM 0 HH12 ARG A 75 9.435 -13.732 9.964 1.00 64.11 H new ATOM 0 HH21 ARG A 75 12.448 -11.948 9.540 1.00 4.12 H new ATOM 0 HH22 ARG A 75 11.119 -12.336 10.638 1.00 4.12 H new ATOM 1218 N ALA A 76 8.971 -14.426 1.147 1.00 74.34 N ATOM 1219 CA ALA A 76 8.523 -15.169 -0.049 1.00 22.21 C ATOM 1220 C ALA A 76 8.303 -16.654 0.282 1.00 4.12 C ATOM 1221 O ALA A 76 9.219 -17.325 0.760 1.00 52.54 O ATOM 1222 CB ALA A 76 9.557 -15.010 -1.177 1.00 54.01 C ATOM 0 H ALA A 76 9.928 -14.080 1.071 1.00 74.34 H new ATOM 0 HA ALA A 76 7.571 -14.757 -0.383 1.00 22.21 H new ATOM 0 HB1 ALA A 76 9.223 -15.559 -2.057 1.00 54.01 H new ATOM 0 HB2 ALA A 76 9.663 -13.954 -1.427 1.00 54.01 H new ATOM 0 HB3 ALA A 76 10.519 -15.403 -0.847 1.00 54.01 H new ATOM 1228 N GLY A 77 7.085 -17.159 0.008 1.00 14.55 N ATOM 1229 CA GLY A 77 6.694 -18.526 0.375 1.00 25.33 C ATOM 1230 C GLY A 77 5.837 -18.588 1.639 1.00 44.15 C ATOM 1231 O GLY A 77 5.154 -19.594 1.865 1.00 0.33 O ATOM 0 H GLY A 77 6.353 -16.633 -0.470 1.00 14.55 H new ATOM 0 HA2 GLY A 77 6.143 -18.974 -0.452 1.00 25.33 H new ATOM 0 HA3 GLY A 77 7.592 -19.127 0.522 1.00 25.33 H new ATOM 1235 N SER A 78 5.871 -17.515 2.459 1.00 63.23 N ATOM 1236 CA SER A 78 5.103 -17.440 3.711 1.00 2.24 C ATOM 1237 C SER A 78 3.632 -17.074 3.425 1.00 74.12 C ATOM 1238 O SER A 78 3.352 -16.014 2.851 1.00 3.44 O ATOM 1239 CB SER A 78 5.748 -16.411 4.675 1.00 42.54 C ATOM 1240 OG SER A 78 5.057 -16.348 5.913 1.00 32.05 O ATOM 0 H SER A 78 6.430 -16.683 2.269 1.00 63.23 H new ATOM 0 HA SER A 78 5.121 -18.419 4.189 1.00 2.24 H new ATOM 0 HB2 SER A 78 6.789 -16.681 4.852 1.00 42.54 H new ATOM 0 HB3 SER A 78 5.749 -15.426 4.208 1.00 42.54 H new ATOM 0 HG SER A 78 5.491 -15.691 6.497 1.00 32.05 H new ATOM 1246 N ARG A 79 2.706 -17.978 3.801 1.00 61.12 N ATOM 1247 CA ARG A 79 1.243 -17.768 3.694 1.00 31.24 C ATOM 1248 C ARG A 79 0.650 -17.686 5.120 1.00 63.23 C ATOM 1249 O ARG A 79 0.845 -18.617 5.902 1.00 45.41 O ATOM 1250 CB ARG A 79 0.549 -18.909 2.884 1.00 14.33 C ATOM 1251 CG ARG A 79 0.655 -18.792 1.342 1.00 24.31 C ATOM 1252 CD ARG A 79 2.081 -18.993 0.800 1.00 42.25 C ATOM 1253 NE ARG A 79 2.157 -18.795 -0.655 1.00 32.14 N ATOM 1254 CZ ARG A 79 3.124 -19.272 -1.451 1.00 24.13 C ATOM 1255 NH1 ARG A 79 4.125 -19.989 -0.952 1.00 23.14 N ATOM 1256 NH2 ARG A 79 3.086 -19.020 -2.744 1.00 64.32 N ATOM 0 H ARG A 79 2.953 -18.887 4.193 1.00 61.12 H new ATOM 0 HA ARG A 79 1.062 -16.838 3.154 1.00 31.24 H new ATOM 0 HB2 ARG A 79 0.981 -19.862 3.189 1.00 14.33 H new ATOM 0 HB3 ARG A 79 -0.506 -18.935 3.157 1.00 14.33 H new ATOM 0 HG2 ARG A 79 -0.005 -19.530 0.885 1.00 24.31 H new ATOM 0 HG3 ARG A 79 0.295 -17.810 1.036 1.00 24.31 H new ATOM 0 HD2 ARG A 79 2.757 -18.296 1.295 1.00 42.25 H new ATOM 0 HD3 ARG A 79 2.423 -19.998 1.046 1.00 42.25 H new ATOM 0 HE ARG A 79 1.414 -18.251 -1.094 1.00 32.14 H new ATOM 0 HH11 ARG A 79 4.164 -20.183 0.049 1.00 23.14 H new ATOM 0 HH12 ARG A 79 4.854 -20.346 -1.570 1.00 23.14 H new ATOM 0 HH21 ARG A 79 2.324 -18.465 -3.133 1.00 64.32 H new ATOM 0 HH22 ARG A 79 3.819 -19.380 -3.355 1.00 64.32 H new ATOM 1270 N PRO A 80 -0.097 -16.598 5.488 1.00 73.11 N ATOM 1271 CA PRO A 80 -0.501 -15.512 4.572 1.00 3.34 C ATOM 1272 C PRO A 80 0.576 -14.402 4.454 1.00 72.54 C ATOM 1273 O PRO A 80 1.208 -14.011 5.449 1.00 22.20 O ATOM 1274 CB PRO A 80 -1.802 -15.014 5.240 1.00 73.53 C ATOM 1275 CG PRO A 80 -1.558 -15.163 6.715 1.00 0.13 C ATOM 1276 CD PRO A 80 -0.577 -16.323 6.877 1.00 10.24 C ATOM 0 HA PRO A 80 -0.634 -15.832 3.539 1.00 3.34 H new ATOM 0 HB2 PRO A 80 -2.010 -13.977 4.976 1.00 73.53 H new ATOM 0 HB3 PRO A 80 -2.661 -15.603 4.920 1.00 73.53 H new ATOM 0 HG2 PRO A 80 -1.146 -14.245 7.135 1.00 0.13 H new ATOM 0 HG3 PRO A 80 -2.489 -15.366 7.244 1.00 0.13 H new ATOM 0 HD2 PRO A 80 0.248 -16.057 7.538 1.00 10.24 H new ATOM 0 HD3 PRO A 80 -1.063 -17.197 7.310 1.00 10.24 H new ATOM 1284 N TRP A 81 0.810 -13.936 3.220 1.00 24.12 N ATOM 1285 CA TRP A 81 1.801 -12.893 2.947 1.00 12.53 C ATOM 1286 C TRP A 81 1.194 -11.517 3.276 1.00 53.55 C ATOM 1287 O TRP A 81 0.243 -11.094 2.637 1.00 61.20 O ATOM 1288 CB TRP A 81 2.275 -12.971 1.470 1.00 70.43 C ATOM 1289 CG TRP A 81 3.376 -11.986 1.126 1.00 53.43 C ATOM 1290 CD1 TRP A 81 4.725 -12.200 1.181 1.00 12.33 C ATOM 1291 CD2 TRP A 81 3.212 -10.630 0.677 1.00 73.44 C ATOM 1292 NE1 TRP A 81 5.397 -11.062 0.817 1.00 64.12 N ATOM 1293 CE2 TRP A 81 4.493 -10.092 0.499 1.00 11.52 C ATOM 1294 CE3 TRP A 81 2.101 -9.823 0.419 1.00 75.54 C ATOM 1295 CZ2 TRP A 81 4.694 -8.788 0.073 1.00 2.22 C ATOM 1296 CZ3 TRP A 81 2.302 -8.535 -0.010 1.00 33.12 C ATOM 1297 CH2 TRP A 81 3.590 -8.031 -0.185 1.00 62.04 C ATOM 0 H TRP A 81 0.320 -14.270 2.390 1.00 24.12 H new ATOM 0 HA TRP A 81 2.677 -13.043 3.577 1.00 12.53 H new ATOM 0 HB2 TRP A 81 2.628 -13.982 1.265 1.00 70.43 H new ATOM 0 HB3 TRP A 81 1.422 -12.792 0.815 1.00 70.43 H new ATOM 0 HD1 TRP A 81 5.193 -13.130 1.469 1.00 12.33 H new ATOM 0 HE1 TRP A 81 6.411 -10.958 0.789 1.00 64.12 H new ATOM 0 HE3 TRP A 81 1.101 -10.206 0.555 1.00 75.54 H new ATOM 0 HZ2 TRP A 81 5.689 -8.387 -0.050 1.00 2.22 H new ATOM 0 HZ3 TRP A 81 1.451 -7.903 -0.215 1.00 33.12 H new ATOM 0 HH2 TRP A 81 3.716 -7.017 -0.533 1.00 62.04 H new ATOM 1308 N LYS A 82 1.741 -10.834 4.283 1.00 44.52 N ATOM 1309 CA LYS A 82 1.291 -9.490 4.690 1.00 44.21 C ATOM 1310 C LYS A 82 2.359 -8.428 4.348 1.00 1.34 C ATOM 1311 O LYS A 82 3.545 -8.693 4.459 1.00 32.51 O ATOM 1312 CB LYS A 82 1.020 -9.499 6.221 1.00 24.32 C ATOM 1313 CG LYS A 82 0.614 -8.134 6.813 1.00 61.12 C ATOM 1314 CD LYS A 82 -0.741 -7.616 6.282 1.00 72.44 C ATOM 1315 CE LYS A 82 -1.945 -8.346 6.893 1.00 71.35 C ATOM 1316 NZ LYS A 82 -2.095 -8.046 8.341 1.00 55.22 N ATOM 0 H LYS A 82 2.512 -11.194 4.845 1.00 44.52 H new ATOM 0 HA LYS A 82 0.379 -9.235 4.150 1.00 44.21 H new ATOM 0 HB2 LYS A 82 0.230 -10.220 6.432 1.00 24.32 H new ATOM 0 HB3 LYS A 82 1.917 -9.849 6.733 1.00 24.32 H new ATOM 0 HG2 LYS A 82 0.563 -8.217 7.899 1.00 61.12 H new ATOM 0 HG3 LYS A 82 1.389 -7.402 6.586 1.00 61.12 H new ATOM 0 HD2 LYS A 82 -0.824 -6.550 6.494 1.00 72.44 H new ATOM 0 HD3 LYS A 82 -0.767 -7.729 5.198 1.00 72.44 H new ATOM 0 HE2 LYS A 82 -2.853 -8.054 6.365 1.00 71.35 H new ATOM 0 HE3 LYS A 82 -1.827 -9.421 6.755 1.00 71.35 H new ATOM 0 HZ1 LYS A 82 -1.812 -8.877 8.899 1.00 55.22 H new ATOM 0 HZ2 LYS A 82 -1.491 -7.238 8.592 1.00 55.22 H new ATOM 0 HZ3 LYS A 82 -3.088 -7.813 8.546 1.00 55.22 H new ATOM 1330 N ALA A 83 1.922 -7.216 3.964 1.00 64.14 N ATOM 1331 CA ALA A 83 2.813 -6.057 3.787 1.00 4.44 C ATOM 1332 C ALA A 83 2.105 -4.783 4.228 1.00 23.33 C ATOM 1333 O ALA A 83 0.898 -4.617 3.997 1.00 60.10 O ATOM 1334 CB ALA A 83 3.303 -5.904 2.343 1.00 73.53 C ATOM 0 H ALA A 83 0.942 -7.013 3.768 1.00 64.14 H new ATOM 0 HA ALA A 83 3.690 -6.232 4.410 1.00 4.44 H new ATOM 0 HB1 ALA A 83 3.956 -5.034 2.271 1.00 73.53 H new ATOM 0 HB2 ALA A 83 3.855 -6.797 2.049 1.00 73.53 H new ATOM 0 HB3 ALA A 83 2.448 -5.772 1.681 1.00 73.53 H new ATOM 1340 N TYR A 84 2.869 -3.903 4.867 1.00 25.23 N ATOM 1341 CA TYR A 84 2.421 -2.581 5.287 1.00 30.40 C ATOM 1342 C TYR A 84 3.165 -1.529 4.460 1.00 62.23 C ATOM 1343 O TYR A 84 4.385 -1.404 4.558 1.00 55.33 O ATOM 1344 CB TYR A 84 2.658 -2.424 6.813 1.00 63.25 C ATOM 1345 CG TYR A 84 1.775 -3.380 7.630 1.00 3.51 C ATOM 1346 CD1 TYR A 84 0.386 -3.323 7.506 1.00 71.15 C ATOM 1347 CD2 TYR A 84 2.307 -4.343 8.494 1.00 53.22 C ATOM 1348 CE1 TYR A 84 -0.430 -4.177 8.201 1.00 65.42 C ATOM 1349 CE2 TYR A 84 1.482 -5.202 9.199 1.00 24.01 C ATOM 1350 CZ TYR A 84 0.115 -5.114 9.046 1.00 62.11 C ATOM 1351 OH TYR A 84 -0.714 -5.975 9.729 1.00 61.35 O ATOM 0 H TYR A 84 3.840 -4.095 5.113 1.00 25.23 H new ATOM 0 HA TYR A 84 1.353 -2.447 5.112 1.00 30.40 H new ATOM 0 HB2 TYR A 84 3.707 -2.616 7.039 1.00 63.25 H new ATOM 0 HB3 TYR A 84 2.451 -1.396 7.109 1.00 63.25 H new ATOM 0 HD1 TYR A 84 -0.056 -2.590 6.848 1.00 71.15 H new ATOM 0 HD2 TYR A 84 3.378 -4.417 8.613 1.00 53.22 H new ATOM 0 HE1 TYR A 84 -1.502 -4.114 8.085 1.00 65.42 H new ATOM 0 HE2 TYR A 84 1.907 -5.938 9.866 1.00 24.01 H new ATOM 0 HH TYR A 84 -0.175 -6.577 10.284 1.00 61.35 H new ATOM 1361 N LEU A 85 2.422 -0.835 3.594 1.00 1.31 N ATOM 1362 CA LEU A 85 2.950 0.176 2.665 1.00 24.11 C ATOM 1363 C LEU A 85 2.393 1.551 3.031 1.00 22.20 C ATOM 1364 O LEU A 85 1.265 1.648 3.470 1.00 23.33 O ATOM 1365 CB LEU A 85 2.518 -0.170 1.216 1.00 34.33 C ATOM 1366 CG LEU A 85 2.880 -1.593 0.699 1.00 64.02 C ATOM 1367 CD1 LEU A 85 2.384 -1.782 -0.750 1.00 64.44 C ATOM 1368 CD2 LEU A 85 4.395 -1.870 0.824 1.00 62.12 C ATOM 0 H LEU A 85 1.413 -0.961 3.515 1.00 1.31 H new ATOM 0 HA LEU A 85 4.038 0.187 2.734 1.00 24.11 H new ATOM 0 HB2 LEU A 85 1.437 -0.047 1.145 1.00 34.33 H new ATOM 0 HB3 LEU A 85 2.967 0.561 0.543 1.00 34.33 H new ATOM 0 HG LEU A 85 2.371 -2.324 1.327 1.00 64.02 H new ATOM 0 HD11 LEU A 85 2.645 -2.782 -1.096 1.00 64.44 H new ATOM 0 HD12 LEU A 85 1.302 -1.658 -0.783 1.00 64.44 H new ATOM 0 HD13 LEU A 85 2.854 -1.040 -1.395 1.00 64.44 H new ATOM 0 HD21 LEU A 85 4.613 -2.872 0.454 1.00 62.12 H new ATOM 0 HD22 LEU A 85 4.948 -1.138 0.236 1.00 62.12 H new ATOM 0 HD23 LEU A 85 4.693 -1.796 1.870 1.00 62.12 H new ATOM 1380 N SER A 86 3.155 2.606 2.803 1.00 22.42 N ATOM 1381 CA SER A 86 2.734 3.978 3.100 1.00 11.34 C ATOM 1382 C SER A 86 3.239 4.908 2.004 1.00 14.41 C ATOM 1383 O SER A 86 4.113 4.533 1.222 1.00 1.24 O ATOM 1384 CB SER A 86 3.278 4.420 4.478 1.00 41.41 C ATOM 1385 OG SER A 86 4.693 4.398 4.496 1.00 23.22 O ATOM 0 H SER A 86 4.091 2.542 2.404 1.00 22.42 H new ATOM 0 HA SER A 86 1.645 4.023 3.134 1.00 11.34 H new ATOM 0 HB2 SER A 86 2.924 5.425 4.707 1.00 41.41 H new ATOM 0 HB3 SER A 86 2.891 3.760 5.254 1.00 41.41 H new ATOM 0 HG SER A 86 5.009 3.504 4.250 1.00 23.22 H new ATOM 1391 N ALA A 87 2.656 6.093 1.931 1.00 25.15 N ATOM 1392 CA ALA A 87 3.142 7.174 1.071 1.00 74.42 C ATOM 1393 C ALA A 87 2.675 8.517 1.634 1.00 64.22 C ATOM 1394 O ALA A 87 1.854 8.556 2.553 1.00 52.31 O ATOM 1395 CB ALA A 87 2.649 6.967 -0.372 1.00 3.04 C ATOM 0 H ALA A 87 1.825 6.340 2.469 1.00 25.15 H new ATOM 0 HA ALA A 87 4.232 7.168 1.051 1.00 74.42 H new ATOM 0 HB1 ALA A 87 3.017 7.777 -1.002 1.00 3.04 H new ATOM 0 HB2 ALA A 87 3.021 6.015 -0.751 1.00 3.04 H new ATOM 0 HB3 ALA A 87 1.559 6.962 -0.387 1.00 3.04 H new ATOM 1401 N GLN A 88 3.222 9.610 1.099 1.00 21.41 N ATOM 1402 CA GLN A 88 2.788 10.971 1.438 1.00 51.50 C ATOM 1403 C GLN A 88 3.074 11.875 0.243 1.00 12.14 C ATOM 1404 O GLN A 88 4.200 11.870 -0.271 1.00 52.43 O ATOM 1405 CB GLN A 88 3.524 11.489 2.707 1.00 41.53 C ATOM 1406 CG GLN A 88 3.007 12.847 3.229 1.00 72.42 C ATOM 1407 CD GLN A 88 3.842 13.400 4.382 1.00 51.23 C ATOM 1408 OE1 GLN A 88 3.591 13.109 5.549 1.00 44.24 O ATOM 1409 NE2 GLN A 88 4.845 14.195 4.056 1.00 33.53 N ATOM 0 H GLN A 88 3.980 9.579 0.417 1.00 21.41 H new ATOM 0 HA GLN A 88 1.721 10.973 1.660 1.00 51.50 H new ATOM 0 HB2 GLN A 88 3.425 10.747 3.499 1.00 41.53 H new ATOM 0 HB3 GLN A 88 4.587 11.579 2.485 1.00 41.53 H new ATOM 0 HG2 GLN A 88 3.005 13.567 2.411 1.00 72.42 H new ATOM 0 HG3 GLN A 88 1.974 12.734 3.557 1.00 72.42 H new ATOM 0 HE21 GLN A 88 5.024 14.415 3.076 1.00 33.53 H new ATOM 0 HE22 GLN A 88 5.441 14.589 4.784 1.00 33.53 H new ATOM 1418 N ASP A 89 2.068 12.630 -0.219 1.00 41.54 N ATOM 1419 CA ASP A 89 2.218 13.500 -1.397 1.00 24.41 C ATOM 1420 C ASP A 89 2.414 14.965 -0.975 1.00 44.21 C ATOM 1421 O ASP A 89 2.390 15.281 0.219 1.00 51.53 O ATOM 1422 CB ASP A 89 1.007 13.317 -2.358 1.00 73.10 C ATOM 1423 CG ASP A 89 -0.273 14.049 -1.932 1.00 63.33 C ATOM 1424 OD1 ASP A 89 -0.697 13.920 -0.759 1.00 32.51 O ATOM 1425 OD2 ASP A 89 -0.836 14.782 -2.759 1.00 20.44 O ATOM 0 H ASP A 89 1.140 12.657 0.204 1.00 41.54 H new ATOM 0 HA ASP A 89 3.115 13.208 -1.943 1.00 24.41 H new ATOM 0 HB2 ASP A 89 1.294 13.665 -3.350 1.00 73.10 H new ATOM 0 HB3 ASP A 89 0.788 12.253 -2.444 1.00 73.10 H new ATOM 1430 N ASP A 90 2.621 15.840 -1.972 1.00 35.31 N ATOM 1431 CA ASP A 90 2.880 17.281 -1.754 1.00 40.23 C ATOM 1432 C ASP A 90 1.697 18.026 -1.087 1.00 43.20 C ATOM 1433 O ASP A 90 1.923 19.053 -0.433 1.00 3.12 O ATOM 1434 CB ASP A 90 3.256 17.967 -3.092 1.00 1.43 C ATOM 1435 CG ASP A 90 2.109 17.934 -4.111 1.00 3.40 C ATOM 1436 OD1 ASP A 90 1.951 16.900 -4.778 1.00 40.03 O ATOM 1437 OD2 ASP A 90 1.363 18.933 -4.247 1.00 0.11 O ATOM 0 H ASP A 90 2.614 15.572 -2.956 1.00 35.31 H new ATOM 0 HA ASP A 90 3.716 17.341 -1.057 1.00 40.23 H new ATOM 0 HB2 ASP A 90 3.537 19.002 -2.899 1.00 1.43 H new ATOM 0 HB3 ASP A 90 4.130 17.473 -3.517 1.00 1.43 H new ATOM 1442 N THR A 91 0.442 17.532 -1.247 1.00 35.02 N ATOM 1443 CA THR A 91 -0.732 18.159 -0.583 1.00 30.22 C ATOM 1444 C THR A 91 -0.722 17.847 0.930 1.00 33.24 C ATOM 1445 O THR A 91 -1.450 18.477 1.706 1.00 21.02 O ATOM 1446 CB THR A 91 -2.111 17.734 -1.212 1.00 71.44 C ATOM 1447 OG1 THR A 91 -2.471 16.395 -0.830 1.00 1.41 O ATOM 1448 CG2 THR A 91 -2.103 17.867 -2.753 1.00 42.32 C ATOM 0 H THR A 91 0.218 16.717 -1.818 1.00 35.02 H new ATOM 0 HA THR A 91 -0.636 19.233 -0.743 1.00 30.22 H new ATOM 0 HB THR A 91 -2.862 18.419 -0.818 1.00 71.44 H new ATOM 0 HG1 THR A 91 -2.111 15.760 -1.484 1.00 1.41 H new ATOM 0 HG21 THR A 91 -3.072 17.564 -3.149 1.00 42.32 H new ATOM 0 HG22 THR A 91 -1.906 18.903 -3.028 1.00 42.32 H new ATOM 0 HG23 THR A 91 -1.325 17.227 -3.169 1.00 42.32 H new ATOM 1456 N GLY A 92 0.126 16.872 1.324 1.00 11.13 N ATOM 1457 CA GLY A 92 0.371 16.538 2.726 1.00 41.21 C ATOM 1458 C GLY A 92 -0.406 15.330 3.209 1.00 3.23 C ATOM 1459 O GLY A 92 -0.312 14.989 4.398 1.00 31.11 O ATOM 0 H GLY A 92 0.657 16.298 0.669 1.00 11.13 H new ATOM 0 HA2 GLY A 92 1.436 16.353 2.866 1.00 41.21 H new ATOM 0 HA3 GLY A 92 0.112 17.397 3.345 1.00 41.21 H new ATOM 1463 N CYS A 93 -1.156 14.672 2.302 1.00 44.50 N ATOM 1464 CA CYS A 93 -1.997 13.522 2.657 1.00 42.51 C ATOM 1465 C CYS A 93 -1.133 12.287 2.968 1.00 55.04 C ATOM 1466 O CYS A 93 -0.245 11.936 2.190 1.00 74.23 O ATOM 1467 CB CYS A 93 -3.011 13.205 1.539 1.00 3.12 C ATOM 1468 SG CYS A 93 -4.102 11.824 1.924 1.00 61.44 S ATOM 0 H CYS A 93 -1.193 14.923 1.314 1.00 44.50 H new ATOM 0 HA CYS A 93 -2.557 13.786 3.554 1.00 42.51 H new ATOM 0 HB2 CYS A 93 -3.615 14.091 1.346 1.00 3.12 H new ATOM 0 HB3 CYS A 93 -2.468 12.983 0.620 1.00 3.12 H new ATOM 0 HG CYS A 93 -5.327 12.143 1.628 1.00 61.44 H new ATOM 1474 N LEU A 94 -1.386 11.662 4.134 1.00 53.34 N ATOM 1475 CA LEU A 94 -0.664 10.462 4.589 1.00 45.25 C ATOM 1476 C LEU A 94 -1.487 9.212 4.199 1.00 42.32 C ATOM 1477 O LEU A 94 -2.592 9.020 4.699 1.00 64.43 O ATOM 1478 CB LEU A 94 -0.437 10.555 6.139 1.00 42.24 C ATOM 1479 CG LEU A 94 0.737 9.718 6.766 1.00 44.20 C ATOM 1480 CD1 LEU A 94 0.470 8.199 6.739 1.00 72.42 C ATOM 1481 CD2 LEU A 94 2.094 10.059 6.093 1.00 53.35 C ATOM 0 H LEU A 94 -2.101 11.978 4.789 1.00 53.34 H new ATOM 0 HA LEU A 94 0.314 10.388 4.114 1.00 45.25 H new ATOM 0 HB2 LEU A 94 -0.271 11.603 6.390 1.00 42.24 H new ATOM 0 HB3 LEU A 94 -1.362 10.253 6.630 1.00 42.24 H new ATOM 0 HG LEU A 94 0.794 10.006 7.816 1.00 44.20 H new ATOM 0 HD11 LEU A 94 1.314 7.673 7.185 1.00 72.42 H new ATOM 0 HD12 LEU A 94 -0.435 7.978 7.305 1.00 72.42 H new ATOM 0 HD13 LEU A 94 0.342 7.870 5.708 1.00 72.42 H new ATOM 0 HD21 LEU A 94 2.886 9.464 6.548 1.00 53.35 H new ATOM 0 HD22 LEU A 94 2.038 9.834 5.028 1.00 53.35 H new ATOM 0 HD23 LEU A 94 2.312 11.118 6.230 1.00 53.35 H new ATOM 1493 N PHE A 95 -0.916 8.368 3.331 1.00 43.44 N ATOM 1494 CA PHE A 95 -1.577 7.175 2.764 1.00 64.41 C ATOM 1495 C PHE A 95 -1.069 5.912 3.468 1.00 44.14 C ATOM 1496 O PHE A 95 0.141 5.757 3.663 1.00 12.14 O ATOM 1497 CB PHE A 95 -1.280 7.074 1.247 1.00 2.41 C ATOM 1498 CG PHE A 95 -1.763 8.277 0.436 1.00 1.53 C ATOM 1499 CD1 PHE A 95 -0.942 9.390 0.241 1.00 4.33 C ATOM 1500 CD2 PHE A 95 -3.039 8.289 -0.134 1.00 20.41 C ATOM 1501 CE1 PHE A 95 -1.389 10.479 -0.479 1.00 44.20 C ATOM 1502 CE2 PHE A 95 -3.482 9.381 -0.850 1.00 14.42 C ATOM 1503 CZ PHE A 95 -2.654 10.472 -1.029 1.00 42.40 C ATOM 0 H PHE A 95 0.038 8.494 2.993 1.00 43.44 H new ATOM 0 HA PHE A 95 -2.653 7.265 2.915 1.00 64.41 H new ATOM 0 HB2 PHE A 95 -0.205 6.961 1.105 1.00 2.41 H new ATOM 0 HB3 PHE A 95 -1.750 6.172 0.855 1.00 2.41 H new ATOM 0 HD1 PHE A 95 0.054 9.398 0.658 1.00 4.33 H new ATOM 0 HD2 PHE A 95 -3.686 7.433 -0.012 1.00 20.41 H new ATOM 0 HE1 PHE A 95 -0.748 11.338 -0.612 1.00 44.20 H new ATOM 0 HE2 PHE A 95 -4.477 9.383 -1.271 1.00 14.42 H new ATOM 0 HZ PHE A 95 -2.998 11.321 -1.601 1.00 42.40 H new ATOM 1513 N LEU A 96 -1.994 5.035 3.868 1.00 52.32 N ATOM 1514 CA LEU A 96 -1.677 3.734 4.483 1.00 21.45 C ATOM 1515 C LEU A 96 -2.334 2.605 3.669 1.00 75.32 C ATOM 1516 O LEU A 96 -3.530 2.645 3.401 1.00 24.32 O ATOM 1517 CB LEU A 96 -2.194 3.719 5.938 1.00 22.14 C ATOM 1518 CG LEU A 96 -1.642 4.834 6.873 1.00 2.34 C ATOM 1519 CD1 LEU A 96 -2.418 4.869 8.188 1.00 41.32 C ATOM 1520 CD2 LEU A 96 -0.132 4.676 7.132 1.00 41.14 C ATOM 0 H LEU A 96 -2.995 5.206 3.775 1.00 52.32 H new ATOM 0 HA LEU A 96 -0.598 3.580 4.487 1.00 21.45 H new ATOM 0 HB2 LEU A 96 -3.281 3.796 5.917 1.00 22.14 H new ATOM 0 HB3 LEU A 96 -1.952 2.752 6.378 1.00 22.14 H new ATOM 0 HG LEU A 96 -1.783 5.786 6.361 1.00 2.34 H new ATOM 0 HD11 LEU A 96 -2.016 5.655 8.827 1.00 41.32 H new ATOM 0 HD12 LEU A 96 -3.470 5.069 7.984 1.00 41.32 H new ATOM 0 HD13 LEU A 96 -2.323 3.907 8.692 1.00 41.32 H new ATOM 0 HD21 LEU A 96 0.210 5.476 7.789 1.00 41.14 H new ATOM 0 HD22 LEU A 96 0.057 3.712 7.604 1.00 41.14 H new ATOM 0 HD23 LEU A 96 0.407 4.728 6.186 1.00 41.14 H new ATOM 1532 N THR A 97 -1.533 1.621 3.266 1.00 22.42 N ATOM 1533 CA THR A 97 -1.968 0.462 2.473 1.00 31.11 C ATOM 1534 C THR A 97 -1.555 -0.852 3.157 1.00 72.44 C ATOM 1535 O THR A 97 -0.506 -0.924 3.792 1.00 63.03 O ATOM 1536 CB THR A 97 -1.350 0.522 1.034 1.00 42.21 C ATOM 1537 OG1 THR A 97 -1.579 1.819 0.487 1.00 34.10 O ATOM 1538 CG2 THR A 97 -1.935 -0.542 0.072 1.00 12.41 C ATOM 0 H THR A 97 -0.537 1.603 3.485 1.00 22.42 H new ATOM 0 HA THR A 97 -3.055 0.494 2.398 1.00 31.11 H new ATOM 0 HB THR A 97 -0.285 0.312 1.133 1.00 42.21 H new ATOM 0 HG1 THR A 97 -0.912 2.004 -0.207 1.00 34.10 H new ATOM 0 HG21 THR A 97 -1.465 -0.446 -0.907 1.00 12.41 H new ATOM 0 HG22 THR A 97 -1.743 -1.538 0.471 1.00 12.41 H new ATOM 0 HG23 THR A 97 -3.010 -0.392 -0.026 1.00 12.41 H new ATOM 1546 N GLU A 98 -2.403 -1.875 3.021 1.00 3.45 N ATOM 1547 CA GLU A 98 -2.120 -3.237 3.483 1.00 24.15 C ATOM 1548 C GLU A 98 -2.422 -4.235 2.353 1.00 14.33 C ATOM 1549 O GLU A 98 -3.543 -4.261 1.834 1.00 53.53 O ATOM 1550 CB GLU A 98 -2.987 -3.547 4.720 1.00 1.12 C ATOM 1551 CG GLU A 98 -2.838 -4.965 5.293 1.00 31.51 C ATOM 1552 CD GLU A 98 -3.809 -5.259 6.452 1.00 3.41 C ATOM 1553 OE1 GLU A 98 -5.002 -5.470 6.178 1.00 23.32 O ATOM 1554 OE2 GLU A 98 -3.387 -5.294 7.631 1.00 10.55 O ATOM 0 H GLU A 98 -3.318 -1.779 2.581 1.00 3.45 H new ATOM 0 HA GLU A 98 -1.069 -3.324 3.757 1.00 24.15 H new ATOM 0 HB2 GLU A 98 -2.742 -2.830 5.503 1.00 1.12 H new ATOM 0 HB3 GLU A 98 -4.033 -3.388 4.458 1.00 1.12 H new ATOM 0 HG2 GLU A 98 -3.004 -5.690 4.497 1.00 31.51 H new ATOM 0 HG3 GLU A 98 -1.815 -5.103 5.642 1.00 31.51 H new ATOM 1561 N LEU A 99 -1.413 -5.031 1.967 1.00 33.22 N ATOM 1562 CA LEU A 99 -1.560 -6.106 0.975 1.00 0.53 C ATOM 1563 C LEU A 99 -1.515 -7.454 1.711 1.00 32.11 C ATOM 1564 O LEU A 99 -0.562 -7.712 2.455 1.00 12.12 O ATOM 1565 CB LEU A 99 -0.431 -6.023 -0.090 1.00 13.12 C ATOM 1566 CG LEU A 99 -0.317 -4.689 -0.902 1.00 32.04 C ATOM 1567 CD1 LEU A 99 0.793 -4.796 -1.973 1.00 11.01 C ATOM 1568 CD2 LEU A 99 -1.662 -4.289 -1.545 1.00 53.45 C ATOM 0 H LEU A 99 -0.466 -4.946 2.337 1.00 33.22 H new ATOM 0 HA LEU A 99 -2.512 -6.003 0.454 1.00 0.53 H new ATOM 0 HB2 LEU A 99 0.521 -6.197 0.411 1.00 13.12 H new ATOM 0 HB3 LEU A 99 -0.572 -6.840 -0.798 1.00 13.12 H new ATOM 0 HG LEU A 99 -0.048 -3.901 -0.199 1.00 32.04 H new ATOM 0 HD11 LEU A 99 0.856 -3.859 -2.526 1.00 11.01 H new ATOM 0 HD12 LEU A 99 1.748 -4.996 -1.488 1.00 11.01 H new ATOM 0 HD13 LEU A 99 0.558 -5.608 -2.661 1.00 11.01 H new ATOM 0 HD21 LEU A 99 -1.538 -3.358 -2.099 1.00 53.45 H new ATOM 0 HD22 LEU A 99 -1.988 -5.075 -2.226 1.00 53.45 H new ATOM 0 HD23 LEU A 99 -2.411 -4.150 -0.765 1.00 53.45 H new ATOM 1580 N LEU A 100 -2.554 -8.291 1.531 1.00 11.44 N ATOM 1581 CA LEU A 100 -2.613 -9.629 2.145 1.00 42.43 C ATOM 1582 C LEU A 100 -2.903 -10.687 1.072 1.00 30.24 C ATOM 1583 O LEU A 100 -3.945 -10.643 0.425 1.00 25.55 O ATOM 1584 CB LEU A 100 -3.688 -9.707 3.269 1.00 41.13 C ATOM 1585 CG LEU A 100 -3.749 -11.080 4.035 1.00 22.52 C ATOM 1586 CD1 LEU A 100 -2.402 -11.400 4.713 1.00 42.22 C ATOM 1587 CD2 LEU A 100 -4.901 -11.116 5.057 1.00 64.33 C ATOM 0 H LEU A 100 -3.368 -8.061 0.961 1.00 11.44 H new ATOM 0 HA LEU A 100 -1.642 -9.824 2.601 1.00 42.43 H new ATOM 0 HB2 LEU A 100 -3.496 -8.913 3.991 1.00 41.13 H new ATOM 0 HB3 LEU A 100 -4.666 -9.509 2.830 1.00 41.13 H new ATOM 0 HG LEU A 100 -3.947 -11.853 3.292 1.00 22.52 H new ATOM 0 HD11 LEU A 100 -2.475 -12.354 5.234 1.00 42.22 H new ATOM 0 HD12 LEU A 100 -1.619 -11.458 3.957 1.00 42.22 H new ATOM 0 HD13 LEU A 100 -2.159 -10.614 5.428 1.00 42.22 H new ATOM 0 HD21 LEU A 100 -4.908 -12.081 5.564 1.00 64.33 H new ATOM 0 HD22 LEU A 100 -4.762 -10.322 5.790 1.00 64.33 H new ATOM 0 HD23 LEU A 100 -5.850 -10.971 4.541 1.00 64.33 H new ATOM 1599 N LEU A 101 -1.996 -11.659 0.930 1.00 53.21 N ATOM 1600 CA LEU A 101 -2.137 -12.768 -0.012 1.00 54.41 C ATOM 1601 C LEU A 101 -2.530 -13.997 0.805 1.00 61.14 C ATOM 1602 O LEU A 101 -1.791 -14.410 1.709 1.00 60.03 O ATOM 1603 CB LEU A 101 -0.815 -13.015 -0.775 1.00 72.51 C ATOM 1604 CG LEU A 101 -0.827 -14.158 -1.845 1.00 24.44 C ATOM 1605 CD1 LEU A 101 -1.802 -13.850 -3.003 1.00 65.42 C ATOM 1606 CD2 LEU A 101 0.599 -14.416 -2.368 1.00 71.44 C ATOM 0 H LEU A 101 -1.134 -11.696 1.474 1.00 53.21 H new ATOM 0 HA LEU A 101 -2.896 -12.543 -0.762 1.00 54.41 H new ATOM 0 HB2 LEU A 101 -0.529 -12.087 -1.271 1.00 72.51 H new ATOM 0 HB3 LEU A 101 -0.037 -13.239 -0.045 1.00 72.51 H new ATOM 0 HG LEU A 101 -1.187 -15.066 -1.361 1.00 24.44 H new ATOM 0 HD11 LEU A 101 -1.781 -14.667 -3.724 1.00 65.42 H new ATOM 0 HD12 LEU A 101 -2.812 -13.740 -2.609 1.00 65.42 H new ATOM 0 HD13 LEU A 101 -1.502 -12.925 -3.495 1.00 65.42 H new ATOM 0 HD21 LEU A 101 0.575 -15.213 -3.111 1.00 71.44 H new ATOM 0 HD22 LEU A 101 0.989 -13.506 -2.824 1.00 71.44 H new ATOM 0 HD23 LEU A 101 1.243 -14.712 -1.539 1.00 71.44 H new ATOM 1618 N GLU A 102 -3.691 -14.557 0.479 1.00 23.14 N ATOM 1619 CA GLU A 102 -4.363 -15.583 1.291 1.00 31.30 C ATOM 1620 C GLU A 102 -3.742 -16.992 1.086 1.00 1.51 C ATOM 1621 O GLU A 102 -3.235 -17.281 0.004 1.00 41.24 O ATOM 1622 CB GLU A 102 -5.863 -15.564 0.926 1.00 60.43 C ATOM 1623 CG GLU A 102 -6.531 -14.193 1.167 1.00 51.21 C ATOM 1624 CD GLU A 102 -8.004 -14.149 0.749 1.00 52.33 C ATOM 1625 OE1 GLU A 102 -8.865 -14.672 1.497 1.00 61.13 O ATOM 1626 OE2 GLU A 102 -8.310 -13.602 -0.330 1.00 14.24 O ATOM 0 H GLU A 102 -4.204 -14.312 -0.368 1.00 23.14 H new ATOM 0 HA GLU A 102 -4.231 -15.356 2.349 1.00 31.30 H new ATOM 0 HB2 GLU A 102 -5.978 -15.838 -0.123 1.00 60.43 H new ATOM 0 HB3 GLU A 102 -6.382 -16.322 1.512 1.00 60.43 H new ATOM 0 HG2 GLU A 102 -6.454 -13.941 2.225 1.00 51.21 H new ATOM 0 HG3 GLU A 102 -5.982 -13.429 0.617 1.00 51.21 H new ATOM 1633 N PRO A 103 -3.760 -17.878 2.143 1.00 42.00 N ATOM 1634 CA PRO A 103 -3.202 -19.256 2.068 1.00 73.12 C ATOM 1635 C PRO A 103 -4.034 -20.187 1.151 1.00 64.22 C ATOM 1636 O PRO A 103 -5.153 -20.595 1.499 1.00 33.21 O ATOM 1637 CB PRO A 103 -3.230 -19.723 3.553 1.00 40.44 C ATOM 1638 CG PRO A 103 -4.342 -18.943 4.179 1.00 24.41 C ATOM 1639 CD PRO A 103 -4.293 -17.588 3.511 1.00 62.13 C ATOM 0 HA PRO A 103 -2.206 -19.283 1.626 1.00 73.12 H new ATOM 0 HB2 PRO A 103 -3.409 -20.796 3.627 1.00 40.44 H new ATOM 0 HB3 PRO A 103 -2.280 -19.524 4.048 1.00 40.44 H new ATOM 0 HG2 PRO A 103 -5.304 -19.428 4.017 1.00 24.41 H new ATOM 0 HG3 PRO A 103 -4.206 -18.857 5.257 1.00 24.41 H new ATOM 0 HD2 PRO A 103 -5.281 -17.129 3.466 1.00 62.13 H new ATOM 0 HD3 PRO A 103 -3.646 -16.899 4.054 1.00 62.13 H new ATOM 1647 N GLY A 104 -3.493 -20.480 -0.043 1.00 72.21 N ATOM 1648 CA GLY A 104 -4.164 -21.338 -1.026 1.00 15.12 C ATOM 1649 C GLY A 104 -5.006 -20.525 -1.999 1.00 14.24 C ATOM 1650 O GLY A 104 -4.809 -20.617 -3.217 1.00 5.21 O ATOM 0 H GLY A 104 -2.585 -20.131 -0.350 1.00 72.21 H new ATOM 0 HA2 GLY A 104 -3.419 -21.910 -1.579 1.00 15.12 H new ATOM 0 HA3 GLY A 104 -4.798 -22.058 -0.508 1.00 15.12 H new ATOM 1654 N ASN A 105 -5.934 -19.706 -1.456 1.00 62.42 N ATOM 1655 CA ASN A 105 -6.732 -18.759 -2.251 1.00 74.43 C ATOM 1656 C ASN A 105 -5.812 -17.660 -2.778 1.00 21.31 C ATOM 1657 O ASN A 105 -5.322 -16.831 -2.006 1.00 3.14 O ATOM 1658 CB ASN A 105 -7.860 -18.151 -1.392 1.00 34.13 C ATOM 1659 CG ASN A 105 -8.782 -17.196 -2.164 1.00 52.42 C ATOM 1660 OD1 ASN A 105 -9.706 -17.630 -2.854 1.00 32.14 O ATOM 1661 ND2 ASN A 105 -8.559 -15.904 -2.051 1.00 53.32 N ATOM 0 H ASN A 105 -6.147 -19.686 -0.459 1.00 62.42 H new ATOM 0 HA ASN A 105 -7.193 -19.283 -3.089 1.00 74.43 H new ATOM 0 HB2 ASN A 105 -8.459 -18.959 -0.972 1.00 34.13 H new ATOM 0 HB3 ASN A 105 -7.416 -17.614 -0.554 1.00 34.13 H new ATOM 0 HD21 ASN A 105 -9.157 -15.238 -2.540 1.00 53.32 H new ATOM 0 HD22 ASN A 105 -7.788 -15.568 -1.474 1.00 53.32 H new ATOM 1668 N SER A 106 -5.553 -17.689 -4.084 1.00 11.32 N ATOM 1669 CA SER A 106 -4.596 -16.800 -4.736 1.00 25.12 C ATOM 1670 C SER A 106 -5.242 -15.434 -5.031 1.00 20.42 C ATOM 1671 O SER A 106 -5.540 -15.090 -6.180 1.00 22.51 O ATOM 1672 CB SER A 106 -4.048 -17.488 -6.006 1.00 34.41 C ATOM 1673 OG SER A 106 -5.063 -17.715 -6.972 1.00 43.24 O ATOM 0 H SER A 106 -6.008 -18.338 -4.726 1.00 11.32 H new ATOM 0 HA SER A 106 -3.753 -16.605 -4.073 1.00 25.12 H new ATOM 0 HB2 SER A 106 -3.264 -16.869 -6.443 1.00 34.41 H new ATOM 0 HB3 SER A 106 -3.589 -18.438 -5.733 1.00 34.41 H new ATOM 0 HG SER A 106 -5.581 -16.893 -7.102 1.00 43.24 H new ATOM 1679 N GLU A 107 -5.511 -14.675 -3.955 1.00 14.41 N ATOM 1680 CA GLU A 107 -6.042 -13.305 -4.058 1.00 11.21 C ATOM 1681 C GLU A 107 -5.308 -12.372 -3.089 1.00 34.23 C ATOM 1682 O GLU A 107 -4.947 -12.770 -1.975 1.00 5.02 O ATOM 1683 CB GLU A 107 -7.572 -13.249 -3.810 1.00 62.51 C ATOM 1684 CG GLU A 107 -8.421 -14.060 -4.809 1.00 65.44 C ATOM 1685 CD GLU A 107 -9.922 -13.768 -4.701 1.00 2.24 C ATOM 1686 OE1 GLU A 107 -10.619 -14.451 -3.914 1.00 35.43 O ATOM 1687 OE2 GLU A 107 -10.409 -12.859 -5.403 1.00 22.11 O ATOM 0 H GLU A 107 -5.368 -14.991 -2.996 1.00 14.41 H new ATOM 0 HA GLU A 107 -5.868 -12.967 -5.080 1.00 11.21 H new ATOM 0 HB2 GLU A 107 -7.776 -13.613 -2.803 1.00 62.51 H new ATOM 0 HB3 GLU A 107 -7.893 -12.208 -3.844 1.00 62.51 H new ATOM 0 HG2 GLU A 107 -8.087 -13.840 -5.823 1.00 65.44 H new ATOM 0 HG3 GLU A 107 -8.251 -15.123 -4.641 1.00 65.44 H new ATOM 1694 N MET A 108 -5.115 -11.128 -3.548 1.00 53.13 N ATOM 1695 CA MET A 108 -4.409 -10.063 -2.829 1.00 74.44 C ATOM 1696 C MET A 108 -5.434 -9.012 -2.378 1.00 34.54 C ATOM 1697 O MET A 108 -6.151 -8.435 -3.205 1.00 22.41 O ATOM 1698 CB MET A 108 -3.345 -9.417 -3.758 1.00 24.01 C ATOM 1699 CG MET A 108 -2.525 -8.280 -3.122 1.00 34.24 C ATOM 1700 SD MET A 108 -1.506 -8.834 -1.742 1.00 71.22 S ATOM 1701 CE MET A 108 -0.284 -9.831 -2.590 1.00 15.54 C ATOM 0 H MET A 108 -5.458 -10.827 -4.460 1.00 53.13 H new ATOM 0 HA MET A 108 -3.900 -10.473 -1.957 1.00 74.44 H new ATOM 0 HB2 MET A 108 -2.659 -10.194 -4.094 1.00 24.01 H new ATOM 0 HB3 MET A 108 -3.847 -9.030 -4.645 1.00 24.01 H new ATOM 0 HG2 MET A 108 -1.885 -7.832 -3.882 1.00 34.24 H new ATOM 0 HG3 MET A 108 -3.203 -7.500 -2.776 1.00 34.24 H new ATOM 0 HE1 MET A 108 0.515 -10.095 -1.897 1.00 15.54 H new ATOM 0 HE2 MET A 108 -0.753 -10.740 -2.966 1.00 15.54 H new ATOM 0 HE3 MET A 108 0.132 -9.266 -3.424 1.00 15.54 H new ATOM 1711 N GLN A 109 -5.495 -8.763 -1.071 1.00 13.23 N ATOM 1712 CA GLN A 109 -6.470 -7.856 -0.458 1.00 13.24 C ATOM 1713 C GLN A 109 -5.788 -6.505 -0.236 1.00 12.40 C ATOM 1714 O GLN A 109 -4.802 -6.425 0.503 1.00 22.34 O ATOM 1715 CB GLN A 109 -6.972 -8.452 0.887 1.00 44.44 C ATOM 1716 CG GLN A 109 -7.513 -9.895 0.780 1.00 24.04 C ATOM 1717 CD GLN A 109 -8.020 -10.470 2.106 1.00 51.15 C ATOM 1718 OE1 GLN A 109 -8.945 -11.286 2.130 1.00 72.22 O ATOM 1719 NE2 GLN A 109 -7.423 -10.072 3.227 1.00 62.45 N ATOM 0 H GLN A 109 -4.860 -9.191 -0.397 1.00 13.23 H new ATOM 0 HA GLN A 109 -7.335 -7.725 -1.108 1.00 13.24 H new ATOM 0 HB2 GLN A 109 -6.153 -8.436 1.606 1.00 44.44 H new ATOM 0 HB3 GLN A 109 -7.758 -7.810 1.284 1.00 44.44 H new ATOM 0 HG2 GLN A 109 -8.325 -9.915 0.053 1.00 24.04 H new ATOM 0 HG3 GLN A 109 -6.724 -10.540 0.394 1.00 24.04 H new ATOM 0 HE21 GLN A 109 -6.660 -9.396 3.186 1.00 62.45 H new ATOM 0 HE22 GLN A 109 -7.729 -10.443 4.127 1.00 62.45 H new ATOM 1728 N ILE A 110 -6.301 -5.463 -0.890 1.00 31.41 N ATOM 1729 CA ILE A 110 -5.716 -4.116 -0.875 1.00 11.31 C ATOM 1730 C ILE A 110 -6.582 -3.205 0.013 1.00 75.01 C ATOM 1731 O ILE A 110 -7.734 -2.957 -0.327 1.00 64.32 O ATOM 1732 CB ILE A 110 -5.674 -3.520 -2.338 1.00 71.53 C ATOM 1733 CG1 ILE A 110 -4.988 -4.516 -3.328 1.00 2.22 C ATOM 1734 CG2 ILE A 110 -4.979 -2.134 -2.366 1.00 61.04 C ATOM 1735 CD1 ILE A 110 -5.004 -4.071 -4.776 1.00 34.42 C ATOM 0 H ILE A 110 -7.148 -5.529 -1.455 1.00 31.41 H new ATOM 0 HA ILE A 110 -4.700 -4.172 -0.485 1.00 11.31 H new ATOM 0 HB ILE A 110 -6.703 -3.376 -2.666 1.00 71.53 H new ATOM 0 HG12 ILE A 110 -3.954 -4.663 -3.017 1.00 2.22 H new ATOM 0 HG13 ILE A 110 -5.484 -5.484 -3.253 1.00 2.22 H new ATOM 0 HG21 ILE A 110 -4.968 -1.753 -3.387 1.00 61.04 H new ATOM 0 HG22 ILE A 110 -5.525 -1.440 -1.726 1.00 61.04 H new ATOM 0 HG23 ILE A 110 -3.956 -2.233 -2.004 1.00 61.04 H new ATOM 0 HD11 ILE A 110 -4.508 -4.820 -5.392 1.00 34.42 H new ATOM 0 HD12 ILE A 110 -6.035 -3.952 -5.109 1.00 34.42 H new ATOM 0 HD13 ILE A 110 -4.481 -3.119 -4.870 1.00 34.42 H new ATOM 1747 N SER A 111 -6.037 -2.708 1.132 1.00 5.13 N ATOM 1748 CA SER A 111 -6.760 -1.791 2.031 1.00 22.31 C ATOM 1749 C SER A 111 -6.070 -0.424 2.005 1.00 42.32 C ATOM 1750 O SER A 111 -4.974 -0.281 2.536 1.00 74.21 O ATOM 1751 CB SER A 111 -6.780 -2.378 3.463 1.00 31.20 C ATOM 1752 OG SER A 111 -7.531 -1.573 4.364 1.00 13.23 O ATOM 0 H SER A 111 -5.090 -2.927 1.440 1.00 5.13 H new ATOM 0 HA SER A 111 -7.791 -1.670 1.700 1.00 22.31 H new ATOM 0 HB2 SER A 111 -7.204 -3.382 3.436 1.00 31.20 H new ATOM 0 HB3 SER A 111 -5.758 -2.473 3.829 1.00 31.20 H new ATOM 0 HG SER A 111 -7.519 -1.981 5.255 1.00 13.23 H new ATOM 1758 N VAL A 112 -6.710 0.566 1.358 1.00 13.13 N ATOM 1759 CA VAL A 112 -6.180 1.933 1.231 1.00 22.41 C ATOM 1760 C VAL A 112 -6.948 2.860 2.190 1.00 52.20 C ATOM 1761 O VAL A 112 -8.178 2.914 2.158 1.00 1.43 O ATOM 1762 CB VAL A 112 -6.314 2.477 -0.242 1.00 22.41 C ATOM 1763 CG1 VAL A 112 -5.639 3.857 -0.380 1.00 34.14 C ATOM 1764 CG2 VAL A 112 -5.748 1.477 -1.280 1.00 71.34 C ATOM 0 H VAL A 112 -7.615 0.438 0.906 1.00 13.13 H new ATOM 0 HA VAL A 112 -5.120 1.912 1.484 1.00 22.41 H new ATOM 0 HB VAL A 112 -7.377 2.592 -0.451 1.00 22.41 H new ATOM 0 HG11 VAL A 112 -5.744 4.213 -1.405 1.00 34.14 H new ATOM 0 HG12 VAL A 112 -6.114 4.564 0.300 1.00 34.14 H new ATOM 0 HG13 VAL A 112 -4.581 3.771 -0.133 1.00 34.14 H new ATOM 0 HG21 VAL A 112 -5.860 1.891 -2.282 1.00 71.34 H new ATOM 0 HG22 VAL A 112 -4.692 1.300 -1.076 1.00 71.34 H new ATOM 0 HG23 VAL A 112 -6.293 0.536 -1.213 1.00 71.34 H new ATOM 1774 N LYS A 113 -6.224 3.575 3.048 1.00 4.44 N ATOM 1775 CA LYS A 113 -6.808 4.526 3.994 1.00 11.54 C ATOM 1776 C LYS A 113 -5.843 5.690 4.212 1.00 64.51 C ATOM 1777 O LYS A 113 -4.758 5.530 4.782 1.00 71.33 O ATOM 1778 CB LYS A 113 -7.196 3.802 5.304 1.00 2.12 C ATOM 1779 CG LYS A 113 -6.125 2.843 5.861 1.00 63.14 C ATOM 1780 CD LYS A 113 -6.651 2.010 7.043 1.00 35.51 C ATOM 1781 CE LYS A 113 -6.983 2.856 8.269 1.00 23.35 C ATOM 1782 NZ LYS A 113 -7.484 2.021 9.393 1.00 50.45 N ATOM 0 H LYS A 113 -5.208 3.511 3.108 1.00 4.44 H new ATOM 0 HA LYS A 113 -7.728 4.946 3.589 1.00 11.54 H new ATOM 0 HB2 LYS A 113 -7.421 4.552 6.063 1.00 2.12 H new ATOM 0 HB3 LYS A 113 -8.113 3.238 5.132 1.00 2.12 H new ATOM 0 HG2 LYS A 113 -5.790 2.175 5.068 1.00 63.14 H new ATOM 0 HG3 LYS A 113 -5.256 3.418 6.182 1.00 63.14 H new ATOM 0 HD2 LYS A 113 -7.544 1.469 6.730 1.00 35.51 H new ATOM 0 HD3 LYS A 113 -5.904 1.264 7.315 1.00 35.51 H new ATOM 0 HE2 LYS A 113 -6.094 3.400 8.588 1.00 23.35 H new ATOM 0 HE3 LYS A 113 -7.734 3.600 8.005 1.00 23.35 H new ATOM 0 HZ1 LYS A 113 -8.451 2.314 9.638 1.00 50.45 H new ATOM 0 HZ2 LYS A 113 -7.487 1.021 9.108 1.00 50.45 H new ATOM 0 HZ3 LYS A 113 -6.865 2.144 10.220 1.00 50.45 H new ATOM 1796 N GLN A 114 -6.238 6.860 3.702 1.00 43.31 N ATOM 1797 CA GLN A 114 -5.478 8.095 3.814 1.00 51.03 C ATOM 1798 C GLN A 114 -6.061 8.971 4.924 1.00 11.42 C ATOM 1799 O GLN A 114 -7.218 8.789 5.331 1.00 53.30 O ATOM 1800 CB GLN A 114 -5.465 8.852 2.456 1.00 30.12 C ATOM 1801 CG GLN A 114 -6.855 9.231 1.872 1.00 14.43 C ATOM 1802 CD GLN A 114 -7.539 8.150 1.010 1.00 74.25 C ATOM 1803 OE1 GLN A 114 -7.293 6.953 1.144 1.00 41.31 O ATOM 1804 NE2 GLN A 114 -8.453 8.572 0.160 1.00 2.32 N ATOM 0 H GLN A 114 -7.114 6.971 3.191 1.00 43.31 H new ATOM 0 HA GLN A 114 -4.447 7.853 4.073 1.00 51.03 H new ATOM 0 HB2 GLN A 114 -4.883 9.766 2.578 1.00 30.12 H new ATOM 0 HB3 GLN A 114 -4.942 8.236 1.725 1.00 30.12 H new ATOM 0 HG2 GLN A 114 -7.519 9.483 2.699 1.00 14.43 H new ATOM 0 HG3 GLN A 114 -6.741 10.132 1.269 1.00 14.43 H new ATOM 0 HE21 GLN A 114 -8.640 9.570 0.066 1.00 2.32 H new ATOM 0 HE22 GLN A 114 -8.974 7.900 -0.404 1.00 2.32 H new ATOM 1813 N ASN A 115 -5.244 9.923 5.396 1.00 13.01 N ATOM 1814 CA ASN A 115 -5.608 10.817 6.500 1.00 24.53 C ATOM 1815 C ASN A 115 -6.581 11.892 5.999 1.00 52.44 C ATOM 1816 O ASN A 115 -7.518 12.282 6.703 1.00 65.25 O ATOM 1817 CB ASN A 115 -4.335 11.452 7.111 1.00 71.20 C ATOM 1818 CG ASN A 115 -4.612 12.313 8.346 1.00 12.41 C ATOM 1819 OD1 ASN A 115 -5.552 12.072 9.105 1.00 54.14 O ATOM 1820 ND2 ASN A 115 -3.785 13.308 8.566 1.00 41.52 N ATOM 0 H ASN A 115 -4.311 10.094 5.021 1.00 13.01 H new ATOM 0 HA ASN A 115 -6.106 10.244 7.282 1.00 24.53 H new ATOM 0 HB2 ASN A 115 -3.637 10.659 7.380 1.00 71.20 H new ATOM 0 HB3 ASN A 115 -3.845 12.064 6.354 1.00 71.20 H new ATOM 0 HD21 ASN A 115 -3.912 13.906 9.383 1.00 41.52 H new ATOM 0 HD22 ASN A 115 -3.015 13.484 7.920 1.00 41.52 H new ATOM 1827 N GLU A 116 -6.348 12.360 4.759 1.00 5.32 N ATOM 1828 CA GLU A 116 -7.191 13.368 4.102 1.00 51.13 C ATOM 1829 C GLU A 116 -7.657 12.802 2.755 1.00 34.51 C ATOM 1830 O GLU A 116 -6.871 12.718 1.802 1.00 42.03 O ATOM 1831 CB GLU A 116 -6.370 14.664 3.894 1.00 11.21 C ATOM 1832 CG GLU A 116 -5.692 15.194 5.173 1.00 12.00 C ATOM 1833 CD GLU A 116 -4.775 16.389 4.919 1.00 64.20 C ATOM 1834 OE1 GLU A 116 -3.745 16.196 4.240 1.00 21.00 O ATOM 1835 OE2 GLU A 116 -5.070 17.510 5.390 1.00 51.55 O ATOM 0 H GLU A 116 -5.566 12.046 4.185 1.00 5.32 H new ATOM 0 HA GLU A 116 -8.060 13.605 4.716 1.00 51.13 H new ATOM 0 HB2 GLU A 116 -5.605 14.479 3.140 1.00 11.21 H new ATOM 0 HB3 GLU A 116 -7.027 15.438 3.497 1.00 11.21 H new ATOM 0 HG2 GLU A 116 -6.460 15.480 5.891 1.00 12.00 H new ATOM 0 HG3 GLU A 116 -5.113 14.391 5.629 1.00 12.00 H new ATOM 1842 N ALA A 117 -8.926 12.397 2.682 1.00 12.41 N ATOM 1843 CA ALA A 117 -9.483 11.752 1.492 1.00 4.00 C ATOM 1844 C ALA A 117 -9.853 12.780 0.415 1.00 45.23 C ATOM 1845 O ALA A 117 -10.690 13.659 0.647 1.00 13.52 O ATOM 1846 CB ALA A 117 -10.697 10.915 1.911 1.00 62.40 C ATOM 0 H ALA A 117 -9.595 12.507 3.444 1.00 12.41 H new ATOM 0 HA ALA A 117 -8.730 11.100 1.049 1.00 4.00 H new ATOM 0 HB1 ALA A 117 -11.123 10.428 1.034 1.00 62.40 H new ATOM 0 HB2 ALA A 117 -10.386 10.158 2.631 1.00 62.40 H new ATOM 0 HB3 ALA A 117 -11.446 11.563 2.366 1.00 62.40 H new ATOM 1852 N ARG A 118 -9.170 12.703 -0.739 1.00 74.04 N ATOM 1853 CA ARG A 118 -9.584 13.366 -1.984 1.00 52.13 C ATOM 1854 C ARG A 118 -9.981 12.283 -2.980 1.00 74.21 C ATOM 1855 O ARG A 118 -9.301 11.248 -3.051 1.00 14.15 O ATOM 1856 CB ARG A 118 -8.419 14.218 -2.549 1.00 61.32 C ATOM 1857 CG ARG A 118 -7.971 15.362 -1.619 1.00 72.14 C ATOM 1858 CD ARG A 118 -6.544 15.855 -1.910 1.00 64.14 C ATOM 1859 NE ARG A 118 -6.311 16.090 -3.348 1.00 44.23 N ATOM 1860 CZ ARG A 118 -5.889 17.236 -3.891 1.00 24.10 C ATOM 1861 NH1 ARG A 118 -5.654 18.314 -3.150 1.00 53.23 N ATOM 1862 NH2 ARG A 118 -5.701 17.298 -5.189 1.00 71.44 N ATOM 0 H ARG A 118 -8.304 12.172 -0.833 1.00 74.04 H new ATOM 0 HA ARG A 118 -10.426 14.033 -1.798 1.00 52.13 H new ATOM 0 HB2 ARG A 118 -7.567 13.567 -2.743 1.00 61.32 H new ATOM 0 HB3 ARG A 118 -8.722 14.640 -3.507 1.00 61.32 H new ATOM 0 HG2 ARG A 118 -8.665 16.197 -1.720 1.00 72.14 H new ATOM 0 HG3 ARG A 118 -8.028 15.024 -0.584 1.00 72.14 H new ATOM 0 HD2 ARG A 118 -6.363 16.778 -1.360 1.00 64.14 H new ATOM 0 HD3 ARG A 118 -5.827 15.120 -1.544 1.00 64.14 H new ATOM 0 HE ARG A 118 -6.487 15.311 -3.982 1.00 44.23 H new ATOM 0 HH11 ARG A 118 -5.795 18.280 -2.140 1.00 53.23 H new ATOM 0 HH12 ARG A 118 -5.332 19.176 -3.591 1.00 53.23 H new ATOM 0 HH21 ARG A 118 -5.877 16.478 -5.770 1.00 71.44 H new ATOM 0 HH22 ARG A 118 -5.379 18.166 -5.617 1.00 71.44 H new ATOM 1876 N THR A 119 -11.069 12.521 -3.748 1.00 41.12 N ATOM 1877 CA THR A 119 -11.478 11.650 -4.867 1.00 3.14 C ATOM 1878 C THR A 119 -10.297 11.455 -5.841 1.00 61.34 C ATOM 1879 O THR A 119 -10.048 10.346 -6.334 1.00 74.41 O ATOM 1880 CB THR A 119 -12.717 12.253 -5.628 1.00 13.12 C ATOM 1881 OG1 THR A 119 -13.838 12.375 -4.726 1.00 13.02 O ATOM 1882 CG2 THR A 119 -13.135 11.400 -6.848 1.00 15.52 C ATOM 0 H THR A 119 -11.685 13.322 -3.607 1.00 41.12 H new ATOM 0 HA THR A 119 -11.770 10.682 -4.460 1.00 3.14 H new ATOM 0 HB THR A 119 -12.417 13.234 -5.996 1.00 13.12 H new ATOM 0 HG1 THR A 119 -14.605 12.752 -5.206 1.00 13.02 H new ATOM 0 HG21 THR A 119 -13.994 11.860 -7.337 1.00 15.52 H new ATOM 0 HG22 THR A 119 -12.305 11.341 -7.552 1.00 15.52 H new ATOM 0 HG23 THR A 119 -13.401 10.396 -6.516 1.00 15.52 H new ATOM 1890 N GLU A 120 -9.526 12.542 -6.020 1.00 22.23 N ATOM 1891 CA GLU A 120 -8.401 12.587 -6.950 1.00 61.53 C ATOM 1892 C GLU A 120 -7.260 11.692 -6.453 1.00 0.30 C ATOM 1893 O GLU A 120 -6.840 10.773 -7.162 1.00 73.42 O ATOM 1894 CB GLU A 120 -7.888 14.041 -7.076 1.00 10.34 C ATOM 1895 CG GLU A 120 -6.737 14.216 -8.082 1.00 64.11 C ATOM 1896 CD GLU A 120 -6.042 15.569 -7.955 1.00 60.35 C ATOM 1897 OE1 GLU A 120 -6.574 16.580 -8.462 1.00 41.41 O ATOM 1898 OE2 GLU A 120 -4.964 15.624 -7.336 1.00 22.44 O ATOM 0 H GLU A 120 -9.673 13.417 -5.516 1.00 22.23 H new ATOM 0 HA GLU A 120 -8.739 12.228 -7.922 1.00 61.53 H new ATOM 0 HB2 GLU A 120 -8.717 14.683 -7.374 1.00 10.34 H new ATOM 0 HB3 GLU A 120 -7.555 14.384 -6.096 1.00 10.34 H new ATOM 0 HG2 GLU A 120 -6.006 13.422 -7.933 1.00 64.11 H new ATOM 0 HG3 GLU A 120 -7.125 14.106 -9.094 1.00 64.11 H new ATOM 1905 N THR A 121 -6.813 11.938 -5.201 1.00 35.11 N ATOM 1906 CA THR A 121 -5.646 11.249 -4.636 1.00 1.11 C ATOM 1907 C THR A 121 -5.906 9.746 -4.477 1.00 30.20 C ATOM 1908 O THR A 121 -5.037 8.949 -4.802 1.00 61.35 O ATOM 1909 CB THR A 121 -5.205 11.855 -3.270 1.00 15.11 C ATOM 1910 OG1 THR A 121 -6.319 11.901 -2.351 1.00 74.32 O ATOM 1911 CG2 THR A 121 -4.586 13.259 -3.433 1.00 1.51 C ATOM 0 H THR A 121 -7.247 12.610 -4.568 1.00 35.11 H new ATOM 0 HA THR A 121 -4.833 11.394 -5.347 1.00 1.11 H new ATOM 0 HB THR A 121 -4.434 11.202 -2.861 1.00 15.11 H new ATOM 0 HG1 THR A 121 -6.024 12.283 -1.498 1.00 74.32 H new ATOM 0 HG21 THR A 121 -4.293 13.643 -2.456 1.00 1.51 H new ATOM 0 HG22 THR A 121 -3.709 13.197 -4.077 1.00 1.51 H new ATOM 0 HG23 THR A 121 -5.319 13.930 -3.882 1.00 1.51 H new ATOM 1919 N LEU A 122 -7.113 9.382 -3.994 1.00 74.11 N ATOM 1920 CA LEU A 122 -7.492 7.981 -3.766 1.00 23.14 C ATOM 1921 C LEU A 122 -7.505 7.185 -5.083 1.00 64.45 C ATOM 1922 O LEU A 122 -6.812 6.178 -5.185 1.00 65.43 O ATOM 1923 CB LEU A 122 -8.868 7.894 -3.054 1.00 20.55 C ATOM 1924 CG LEU A 122 -9.363 6.456 -2.659 1.00 44.11 C ATOM 1925 CD1 LEU A 122 -8.280 5.660 -1.905 1.00 43.23 C ATOM 1926 CD2 LEU A 122 -10.658 6.510 -1.817 1.00 52.21 C ATOM 0 H LEU A 122 -7.845 10.051 -3.754 1.00 74.11 H new ATOM 0 HA LEU A 122 -6.741 7.533 -3.115 1.00 23.14 H new ATOM 0 HB2 LEU A 122 -8.823 8.500 -2.149 1.00 20.55 H new ATOM 0 HB3 LEU A 122 -9.617 8.346 -3.703 1.00 20.55 H new ATOM 0 HG LEU A 122 -9.578 5.938 -3.594 1.00 44.11 H new ATOM 0 HD11 LEU A 122 -8.665 4.672 -1.651 1.00 43.23 H new ATOM 0 HD12 LEU A 122 -7.399 5.555 -2.538 1.00 43.23 H new ATOM 0 HD13 LEU A 122 -8.009 6.189 -0.992 1.00 43.23 H new ATOM 0 HD21 LEU A 122 -10.969 5.497 -1.563 1.00 52.21 H new ATOM 0 HD22 LEU A 122 -10.474 7.073 -0.902 1.00 52.21 H new ATOM 0 HD23 LEU A 122 -11.445 6.998 -2.391 1.00 52.21 H new ATOM 1938 N ASN A 123 -8.251 7.686 -6.097 1.00 24.34 N ATOM 1939 CA ASN A 123 -8.386 7.000 -7.411 1.00 3.12 C ATOM 1940 C ASN A 123 -7.012 6.841 -8.095 1.00 40.43 C ATOM 1941 O ASN A 123 -6.714 5.789 -8.667 1.00 62.30 O ATOM 1942 CB ASN A 123 -9.363 7.767 -8.344 1.00 1.13 C ATOM 1943 CG ASN A 123 -10.829 7.734 -7.887 1.00 12.14 C ATOM 1944 OD1 ASN A 123 -11.137 7.575 -6.703 1.00 4.44 O ATOM 1945 ND2 ASN A 123 -11.744 7.938 -8.817 1.00 31.43 N ATOM 0 H ASN A 123 -8.769 8.562 -6.033 1.00 24.34 H new ATOM 0 HA ASN A 123 -8.796 6.008 -7.223 1.00 3.12 H new ATOM 0 HB2 ASN A 123 -9.040 8.806 -8.415 1.00 1.13 H new ATOM 0 HB3 ASN A 123 -9.297 7.344 -9.346 1.00 1.13 H new ATOM 0 HD21 ASN A 123 -12.731 7.967 -8.563 1.00 31.43 H new ATOM 0 HD22 ASN A 123 -11.463 8.067 -9.789 1.00 31.43 H new ATOM 1952 N SER A 124 -6.181 7.894 -7.994 1.00 20.11 N ATOM 1953 CA SER A 124 -4.831 7.913 -8.578 1.00 12.34 C ATOM 1954 C SER A 124 -3.905 6.920 -7.850 1.00 4.42 C ATOM 1955 O SER A 124 -3.127 6.218 -8.485 1.00 2.12 O ATOM 1956 CB SER A 124 -4.252 9.344 -8.524 1.00 51.53 C ATOM 1957 OG SER A 124 -5.052 10.251 -9.265 1.00 12.22 O ATOM 0 H SER A 124 -6.428 8.754 -7.505 1.00 20.11 H new ATOM 0 HA SER A 124 -4.898 7.603 -9.621 1.00 12.34 H new ATOM 0 HB2 SER A 124 -4.189 9.674 -7.487 1.00 51.53 H new ATOM 0 HB3 SER A 124 -3.237 9.343 -8.921 1.00 51.53 H new ATOM 0 HG SER A 124 -5.773 10.592 -8.695 1.00 12.22 H new ATOM 1963 N PHE A 125 -4.045 6.852 -6.512 1.00 44.31 N ATOM 1964 CA PHE A 125 -3.193 6.019 -5.636 1.00 75.31 C ATOM 1965 C PHE A 125 -3.465 4.519 -5.870 1.00 51.21 C ATOM 1966 O PHE A 125 -2.538 3.705 -5.915 1.00 62.43 O ATOM 1967 CB PHE A 125 -3.439 6.399 -4.152 1.00 31.33 C ATOM 1968 CG PHE A 125 -2.514 5.718 -3.165 1.00 70.01 C ATOM 1969 CD1 PHE A 125 -1.255 6.246 -2.889 1.00 31.02 C ATOM 1970 CD2 PHE A 125 -2.897 4.552 -2.514 1.00 60.13 C ATOM 1971 CE1 PHE A 125 -0.416 5.625 -1.992 1.00 51.42 C ATOM 1972 CE2 PHE A 125 -2.059 3.934 -1.621 1.00 13.33 C ATOM 1973 CZ PHE A 125 -0.817 4.468 -1.357 1.00 42.03 C ATOM 0 H PHE A 125 -4.757 7.376 -6.004 1.00 44.31 H new ATOM 0 HA PHE A 125 -2.147 6.208 -5.880 1.00 75.31 H new ATOM 0 HB2 PHE A 125 -3.332 7.478 -4.045 1.00 31.33 H new ATOM 0 HB3 PHE A 125 -4.469 6.153 -3.894 1.00 31.33 H new ATOM 0 HD1 PHE A 125 -0.934 7.151 -3.383 1.00 31.02 H new ATOM 0 HD2 PHE A 125 -3.869 4.126 -2.714 1.00 60.13 H new ATOM 0 HE1 PHE A 125 0.558 6.044 -1.785 1.00 51.42 H new ATOM 0 HE2 PHE A 125 -2.373 3.028 -1.124 1.00 13.33 H new ATOM 0 HZ PHE A 125 -0.158 3.981 -0.653 1.00 42.03 H new ATOM 1983 N ILE A 126 -4.757 4.185 -6.009 1.00 24.13 N ATOM 1984 CA ILE A 126 -5.222 2.828 -6.340 1.00 61.33 C ATOM 1985 C ILE A 126 -4.694 2.426 -7.734 1.00 45.42 C ATOM 1986 O ILE A 126 -4.194 1.319 -7.917 1.00 64.03 O ATOM 1987 CB ILE A 126 -6.794 2.767 -6.326 1.00 61.44 C ATOM 1988 CG1 ILE A 126 -7.361 3.141 -4.916 1.00 61.51 C ATOM 1989 CG2 ILE A 126 -7.303 1.381 -6.774 1.00 62.30 C ATOM 1990 CD1 ILE A 126 -8.850 3.441 -4.905 1.00 3.31 C ATOM 0 H ILE A 126 -5.517 4.856 -5.894 1.00 24.13 H new ATOM 0 HA ILE A 126 -4.841 2.132 -5.592 1.00 61.33 H new ATOM 0 HB ILE A 126 -7.159 3.504 -7.041 1.00 61.44 H new ATOM 0 HG12 ILE A 126 -7.162 2.320 -4.227 1.00 61.51 H new ATOM 0 HG13 ILE A 126 -6.823 4.011 -4.539 1.00 61.51 H new ATOM 0 HG21 ILE A 126 -8.393 1.370 -6.754 1.00 62.30 H new ATOM 0 HG22 ILE A 126 -6.956 1.176 -7.787 1.00 62.30 H new ATOM 0 HG23 ILE A 126 -6.920 0.617 -6.098 1.00 62.30 H new ATOM 0 HD11 ILE A 126 -9.163 3.691 -3.891 1.00 3.31 H new ATOM 0 HD12 ILE A 126 -9.057 4.282 -5.567 1.00 3.31 H new ATOM 0 HD13 ILE A 126 -9.400 2.565 -5.249 1.00 3.31 H new ATOM 2002 N SER A 127 -4.780 3.388 -8.680 1.00 24.12 N ATOM 2003 CA SER A 127 -4.303 3.229 -10.061 1.00 13.13 C ATOM 2004 C SER A 127 -2.786 2.960 -10.099 1.00 74.33 C ATOM 2005 O SER A 127 -2.312 2.185 -10.939 1.00 35.41 O ATOM 2006 CB SER A 127 -4.676 4.480 -10.887 1.00 72.51 C ATOM 2007 OG SER A 127 -4.280 4.363 -12.239 1.00 23.02 O ATOM 0 H SER A 127 -5.188 4.305 -8.498 1.00 24.12 H new ATOM 0 HA SER A 127 -4.791 2.361 -10.505 1.00 13.13 H new ATOM 0 HB2 SER A 127 -5.753 4.638 -10.838 1.00 72.51 H new ATOM 0 HB3 SER A 127 -4.204 5.358 -10.446 1.00 72.51 H new ATOM 0 HG SER A 127 -4.536 5.174 -12.726 1.00 23.02 H new ATOM 2013 N VAL A 128 -2.043 3.589 -9.160 1.00 31.55 N ATOM 2014 CA VAL A 128 -0.611 3.327 -8.951 1.00 74.02 C ATOM 2015 C VAL A 128 -0.402 1.845 -8.595 1.00 65.05 C ATOM 2016 O VAL A 128 0.321 1.143 -9.295 1.00 65.33 O ATOM 2017 CB VAL A 128 -0.018 4.253 -7.810 1.00 54.33 C ATOM 2018 CG1 VAL A 128 1.397 3.815 -7.372 1.00 64.22 C ATOM 2019 CG2 VAL A 128 -0.021 5.737 -8.241 1.00 14.33 C ATOM 0 H VAL A 128 -2.425 4.292 -8.528 1.00 31.55 H new ATOM 0 HA VAL A 128 -0.081 3.556 -9.876 1.00 74.02 H new ATOM 0 HB VAL A 128 -0.671 4.141 -6.945 1.00 54.33 H new ATOM 0 HG11 VAL A 128 1.758 4.482 -6.589 1.00 64.22 H new ATOM 0 HG12 VAL A 128 1.360 2.794 -6.992 1.00 64.22 H new ATOM 0 HG13 VAL A 128 2.072 3.860 -8.226 1.00 64.22 H new ATOM 0 HG21 VAL A 128 0.391 6.350 -7.439 1.00 14.33 H new ATOM 0 HG22 VAL A 128 0.587 5.857 -9.138 1.00 14.33 H new ATOM 0 HG23 VAL A 128 -1.043 6.053 -8.450 1.00 14.33 H new ATOM 2029 N LEU A 129 -1.098 1.387 -7.531 1.00 71.24 N ATOM 2030 CA LEU A 129 -1.032 -0.005 -7.040 1.00 20.10 C ATOM 2031 C LEU A 129 -1.400 -1.035 -8.132 1.00 1.14 C ATOM 2032 O LEU A 129 -0.833 -2.122 -8.173 1.00 44.22 O ATOM 2033 CB LEU A 129 -1.956 -0.184 -5.811 1.00 11.12 C ATOM 2034 CG LEU A 129 -1.677 0.762 -4.598 1.00 44.54 C ATOM 2035 CD1 LEU A 129 -2.740 0.560 -3.509 1.00 71.21 C ATOM 2036 CD2 LEU A 129 -0.247 0.567 -4.031 1.00 42.02 C ATOM 0 H LEU A 129 -1.725 1.978 -6.986 1.00 71.24 H new ATOM 0 HA LEU A 129 0.002 -0.193 -6.752 1.00 20.10 H new ATOM 0 HB2 LEU A 129 -2.987 -0.035 -6.132 1.00 11.12 H new ATOM 0 HB3 LEU A 129 -1.875 -1.215 -5.468 1.00 11.12 H new ATOM 0 HG LEU A 129 -1.738 1.790 -4.955 1.00 44.54 H new ATOM 0 HD11 LEU A 129 -2.533 1.225 -2.671 1.00 71.21 H new ATOM 0 HD12 LEU A 129 -3.726 0.785 -3.916 1.00 71.21 H new ATOM 0 HD13 LEU A 129 -2.717 -0.474 -3.166 1.00 71.21 H new ATOM 0 HD21 LEU A 129 -0.094 1.243 -3.190 1.00 42.02 H new ATOM 0 HD22 LEU A 129 -0.126 -0.463 -3.696 1.00 42.02 H new ATOM 0 HD23 LEU A 129 0.485 0.784 -4.809 1.00 42.02 H new ATOM 2048 N GLU A 130 -2.346 -0.661 -9.019 1.00 35.43 N ATOM 2049 CA GLU A 130 -2.798 -1.515 -10.147 1.00 21.33 C ATOM 2050 C GLU A 130 -1.739 -1.593 -11.260 1.00 14.24 C ATOM 2051 O GLU A 130 -1.632 -2.614 -11.946 1.00 60.34 O ATOM 2052 CB GLU A 130 -4.143 -0.996 -10.707 1.00 12.14 C ATOM 2053 CG GLU A 130 -5.318 -1.087 -9.717 1.00 75.42 C ATOM 2054 CD GLU A 130 -6.630 -0.596 -10.330 1.00 45.53 C ATOM 2055 OE1 GLU A 130 -7.284 -1.378 -11.056 1.00 71.22 O ATOM 2056 OE2 GLU A 130 -7.001 0.577 -10.127 1.00 64.12 O ATOM 0 H GLU A 130 -2.820 0.241 -8.977 1.00 35.43 H new ATOM 0 HA GLU A 130 -2.943 -2.525 -9.764 1.00 21.33 H new ATOM 0 HB2 GLU A 130 -4.020 0.043 -11.012 1.00 12.14 H new ATOM 0 HB3 GLU A 130 -4.393 -1.564 -11.603 1.00 12.14 H new ATOM 0 HG2 GLU A 130 -5.436 -2.120 -9.390 1.00 75.42 H new ATOM 0 HG3 GLU A 130 -5.090 -0.496 -8.830 1.00 75.42 H new ATOM 2063 N THR A 131 -0.975 -0.498 -11.439 1.00 0.33 N ATOM 2064 CA THR A 131 0.169 -0.458 -12.366 1.00 55.23 C ATOM 2065 C THR A 131 1.328 -1.322 -11.806 1.00 74.43 C ATOM 2066 O THR A 131 2.016 -2.008 -12.566 1.00 12.43 O ATOM 2067 CB THR A 131 0.638 1.018 -12.616 1.00 34.20 C ATOM 2068 OG1 THR A 131 -0.465 1.806 -13.107 1.00 31.23 O ATOM 2069 CG2 THR A 131 1.793 1.109 -13.630 1.00 64.34 C ATOM 0 H THR A 131 -1.134 0.381 -10.946 1.00 0.33 H new ATOM 0 HA THR A 131 -0.143 -0.870 -13.326 1.00 55.23 H new ATOM 0 HB THR A 131 0.995 1.400 -11.660 1.00 34.20 H new ATOM 0 HG1 THR A 131 -1.112 1.949 -12.385 1.00 31.23 H new ATOM 0 HG21 THR A 131 2.077 2.153 -13.765 1.00 64.34 H new ATOM 0 HG22 THR A 131 2.649 0.545 -13.259 1.00 64.34 H new ATOM 0 HG23 THR A 131 1.472 0.694 -14.585 1.00 64.34 H new ATOM 2077 N VAL A 132 1.490 -1.309 -10.460 1.00 42.03 N ATOM 2078 CA VAL A 132 2.529 -2.094 -9.758 1.00 20.12 C ATOM 2079 C VAL A 132 2.242 -3.599 -9.878 1.00 72.02 C ATOM 2080 O VAL A 132 3.088 -4.358 -10.332 1.00 51.14 O ATOM 2081 CB VAL A 132 2.645 -1.702 -8.236 1.00 43.43 C ATOM 2082 CG1 VAL A 132 3.753 -2.512 -7.526 1.00 55.54 C ATOM 2083 CG2 VAL A 132 2.903 -0.193 -8.070 1.00 40.33 C ATOM 0 H VAL A 132 0.905 -0.755 -9.835 1.00 42.03 H new ATOM 0 HA VAL A 132 3.479 -1.861 -10.239 1.00 20.12 H new ATOM 0 HB VAL A 132 1.691 -1.945 -7.767 1.00 43.43 H new ATOM 0 HG11 VAL A 132 3.805 -2.216 -6.478 1.00 55.54 H new ATOM 0 HG12 VAL A 132 3.525 -3.576 -7.592 1.00 55.54 H new ATOM 0 HG13 VAL A 132 4.712 -2.316 -8.007 1.00 55.54 H new ATOM 0 HG21 VAL A 132 2.979 0.049 -7.010 1.00 40.33 H new ATOM 0 HG22 VAL A 132 3.834 0.074 -8.570 1.00 40.33 H new ATOM 0 HG23 VAL A 132 2.080 0.368 -8.512 1.00 40.33 H new ATOM 2093 N ILE A 133 1.018 -3.997 -9.488 1.00 50.03 N ATOM 2094 CA ILE A 133 0.558 -5.396 -9.522 1.00 23.14 C ATOM 2095 C ILE A 133 0.541 -5.910 -10.983 1.00 74.05 C ATOM 2096 O ILE A 133 1.076 -6.992 -11.286 1.00 54.51 O ATOM 2097 CB ILE A 133 -0.875 -5.511 -8.843 1.00 61.31 C ATOM 2098 CG1 ILE A 133 -0.759 -5.296 -7.284 1.00 1.13 C ATOM 2099 CG2 ILE A 133 -1.599 -6.837 -9.195 1.00 73.12 C ATOM 2100 CD1 ILE A 133 -2.047 -5.503 -6.502 1.00 40.35 C ATOM 0 H ILE A 133 0.313 -3.349 -9.137 1.00 50.03 H new ATOM 0 HA ILE A 133 1.247 -6.023 -8.956 1.00 23.14 H new ATOM 0 HB ILE A 133 -1.499 -4.717 -9.253 1.00 61.31 H new ATOM 0 HG12 ILE A 133 -0.003 -5.978 -6.895 1.00 1.13 H new ATOM 0 HG13 ILE A 133 -0.400 -4.284 -7.099 1.00 1.13 H new ATOM 0 HG21 ILE A 133 -2.572 -6.862 -8.705 1.00 73.12 H new ATOM 0 HG22 ILE A 133 -1.735 -6.902 -10.275 1.00 73.12 H new ATOM 0 HG23 ILE A 133 -0.999 -7.681 -8.854 1.00 73.12 H new ATOM 0 HD11 ILE A 133 -1.861 -5.332 -5.442 1.00 40.35 H new ATOM 0 HD12 ILE A 133 -2.804 -4.802 -6.855 1.00 40.35 H new ATOM 0 HD13 ILE A 133 -2.401 -6.524 -6.648 1.00 40.35 H new ATOM 2112 N GLY A 134 -0.014 -5.063 -11.873 1.00 55.42 N ATOM 2113 CA GLY A 134 -0.176 -5.373 -13.291 1.00 71.33 C ATOM 2114 C GLY A 134 1.130 -5.730 -13.987 1.00 72.43 C ATOM 2115 O GLY A 134 1.252 -6.825 -14.548 1.00 22.41 O ATOM 0 H GLY A 134 -0.362 -4.139 -11.617 1.00 55.42 H new ATOM 0 HA2 GLY A 134 -0.873 -6.204 -13.396 1.00 71.33 H new ATOM 0 HA3 GLY A 134 -0.624 -4.516 -13.793 1.00 71.33 H new ATOM 2119 N THR A 135 2.143 -4.837 -13.858 1.00 52.21 N ATOM 2120 CA THR A 135 3.448 -4.991 -14.545 1.00 23.20 C ATOM 2121 C THR A 135 4.178 -6.300 -14.156 1.00 23.42 C ATOM 2122 O THR A 135 5.002 -6.795 -14.926 1.00 34.53 O ATOM 2123 CB THR A 135 4.391 -3.757 -14.300 1.00 20.34 C ATOM 2124 OG1 THR A 135 5.550 -3.826 -15.160 1.00 22.35 O ATOM 2125 CG2 THR A 135 4.853 -3.646 -12.839 1.00 12.11 C ATOM 0 H THR A 135 2.079 -3.998 -13.281 1.00 52.21 H new ATOM 0 HA THR A 135 3.214 -5.044 -15.608 1.00 23.20 H new ATOM 0 HB THR A 135 3.803 -2.869 -14.533 1.00 20.34 H new ATOM 0 HG1 THR A 135 6.126 -3.050 -14.996 1.00 22.35 H new ATOM 0 HG21 THR A 135 5.501 -2.777 -12.727 1.00 12.11 H new ATOM 0 HG22 THR A 135 3.984 -3.536 -12.190 1.00 12.11 H new ATOM 0 HG23 THR A 135 5.402 -4.546 -12.562 1.00 12.11 H new ATOM 2133 N ILE A 136 3.847 -6.854 -12.974 1.00 13.54 N ATOM 2134 CA ILE A 136 4.437 -8.110 -12.488 1.00 25.42 C ATOM 2135 C ILE A 136 3.823 -9.297 -13.258 1.00 31.24 C ATOM 2136 O ILE A 136 4.551 -10.080 -13.882 1.00 60.21 O ATOM 2137 CB ILE A 136 4.209 -8.269 -10.938 1.00 42.24 C ATOM 2138 CG1 ILE A 136 4.732 -7.004 -10.190 1.00 31.55 C ATOM 2139 CG2 ILE A 136 4.872 -9.556 -10.380 1.00 44.04 C ATOM 2140 CD1 ILE A 136 4.332 -6.938 -8.737 1.00 11.33 C ATOM 0 H ILE A 136 3.167 -6.444 -12.334 1.00 13.54 H new ATOM 0 HA ILE A 136 5.513 -8.091 -12.664 1.00 25.42 H new ATOM 0 HB ILE A 136 3.137 -8.366 -10.767 1.00 42.24 H new ATOM 0 HG12 ILE A 136 5.820 -6.979 -10.258 1.00 31.55 H new ATOM 0 HG13 ILE A 136 4.360 -6.115 -10.699 1.00 31.55 H new ATOM 0 HG21 ILE A 136 4.689 -9.624 -9.308 1.00 44.04 H new ATOM 0 HG22 ILE A 136 4.448 -10.429 -10.877 1.00 44.04 H new ATOM 0 HG23 ILE A 136 5.946 -9.521 -10.563 1.00 44.04 H new ATOM 0 HD11 ILE A 136 4.735 -6.029 -8.290 1.00 11.33 H new ATOM 0 HD12 ILE A 136 3.245 -6.930 -8.659 1.00 11.33 H new ATOM 0 HD13 ILE A 136 4.727 -7.807 -8.211 1.00 11.33 H new ATOM 2152 N GLU A 137 2.473 -9.363 -13.258 1.00 71.10 N ATOM 2153 CA GLU A 137 1.713 -10.500 -13.815 1.00 15.25 C ATOM 2154 C GLU A 137 0.205 -10.211 -13.726 1.00 50.22 C ATOM 2155 O GLU A 137 -0.509 -10.728 -12.869 1.00 60.25 O ATOM 2156 CB GLU A 137 2.112 -11.845 -13.113 1.00 52.21 C ATOM 2157 CG GLU A 137 2.001 -11.848 -11.570 1.00 20.43 C ATOM 2158 CD GLU A 137 2.680 -13.057 -10.905 1.00 60.43 C ATOM 2159 OE1 GLU A 137 2.104 -14.165 -10.924 1.00 42.44 O ATOM 2160 OE2 GLU A 137 3.784 -12.898 -10.330 1.00 60.13 O ATOM 0 H GLU A 137 1.881 -8.628 -12.871 1.00 71.10 H new ATOM 0 HA GLU A 137 1.965 -10.620 -14.869 1.00 15.25 H new ATOM 0 HB2 GLU A 137 1.481 -12.642 -13.507 1.00 52.21 H new ATOM 0 HB3 GLU A 137 3.139 -12.087 -13.387 1.00 52.21 H new ATOM 0 HG2 GLU A 137 2.446 -10.932 -11.181 1.00 20.43 H new ATOM 0 HG3 GLU A 137 0.948 -11.834 -11.290 1.00 20.43 H new ATOM 2167 N GLU A 138 -0.266 -9.329 -14.616 1.00 22.44 N ATOM 2168 CA GLU A 138 -1.701 -9.005 -14.738 1.00 65.40 C ATOM 2169 C GLU A 138 -2.468 -10.261 -15.222 1.00 33.32 C ATOM 2170 O GLU A 138 -1.930 -11.057 -16.002 1.00 31.12 O ATOM 2171 CB GLU A 138 -1.856 -7.798 -15.704 1.00 74.15 C ATOM 2172 CG GLU A 138 -3.263 -7.140 -15.781 1.00 63.25 C ATOM 2173 CD GLU A 138 -4.257 -7.818 -16.748 1.00 24.50 C ATOM 2174 OE1 GLU A 138 -3.960 -7.873 -17.959 1.00 1.10 O ATOM 2175 OE2 GLU A 138 -5.334 -8.278 -16.309 1.00 63.12 O ATOM 0 H GLU A 138 0.329 -8.820 -15.270 1.00 22.44 H new ATOM 0 HA GLU A 138 -2.127 -8.719 -13.776 1.00 65.40 H new ATOM 0 HB2 GLU A 138 -1.138 -7.032 -15.410 1.00 74.15 H new ATOM 0 HB3 GLU A 138 -1.579 -8.126 -16.706 1.00 74.15 H new ATOM 0 HG2 GLU A 138 -3.699 -7.136 -14.782 1.00 63.25 H new ATOM 0 HG3 GLU A 138 -3.143 -6.099 -16.081 1.00 63.25 H new ATOM 2182 N ILE A 139 -3.703 -10.439 -14.727 1.00 13.02 N ATOM 2183 CA ILE A 139 -4.535 -11.630 -15.008 1.00 74.03 C ATOM 2184 C ILE A 139 -5.043 -11.648 -16.478 1.00 31.13 C ATOM 2185 O ILE A 139 -6.131 -11.150 -16.801 1.00 2.15 O ATOM 2186 CB ILE A 139 -5.723 -11.764 -13.964 1.00 13.24 C ATOM 2187 CG1 ILE A 139 -6.567 -10.451 -13.865 1.00 2.22 C ATOM 2188 CG2 ILE A 139 -5.170 -12.137 -12.573 1.00 52.32 C ATOM 2189 CD1 ILE A 139 -7.804 -10.542 -12.977 1.00 1.40 C ATOM 0 H ILE A 139 -4.159 -9.760 -14.117 1.00 13.02 H new ATOM 0 HA ILE A 139 -3.900 -12.508 -14.887 1.00 74.03 H new ATOM 0 HB ILE A 139 -6.382 -12.556 -14.321 1.00 13.24 H new ATOM 0 HG12 ILE A 139 -5.927 -9.653 -13.489 1.00 2.22 H new ATOM 0 HG13 ILE A 139 -6.880 -10.162 -14.868 1.00 2.22 H new ATOM 0 HG21 ILE A 139 -5.994 -12.226 -11.866 1.00 52.32 H new ATOM 0 HG22 ILE A 139 -4.641 -13.088 -12.635 1.00 52.32 H new ATOM 0 HG23 ILE A 139 -4.484 -11.361 -12.234 1.00 52.32 H new ATOM 0 HD11 ILE A 139 -8.321 -9.582 -12.974 1.00 1.40 H new ATOM 0 HD12 ILE A 139 -8.472 -11.313 -13.362 1.00 1.40 H new ATOM 0 HD13 ILE A 139 -7.504 -10.796 -11.960 1.00 1.40 H new ATOM 2201 N LYS A 140 -4.213 -12.238 -17.359 1.00 70.21 N ATOM 2202 CA LYS A 140 -4.430 -12.250 -18.820 1.00 52.31 C ATOM 2203 C LYS A 140 -5.693 -13.061 -19.182 1.00 55.41 C ATOM 2204 O LYS A 140 -6.696 -12.494 -19.634 1.00 61.41 O ATOM 2205 CB LYS A 140 -3.169 -12.820 -19.531 1.00 13.11 C ATOM 2206 CG LYS A 140 -1.849 -12.155 -19.098 1.00 14.02 C ATOM 2207 CD LYS A 140 -1.797 -10.632 -19.385 1.00 63.32 C ATOM 2208 CE LYS A 140 -0.511 -9.985 -18.845 1.00 51.33 C ATOM 2209 NZ LYS A 140 0.716 -10.606 -19.409 1.00 54.54 N ATOM 0 H LYS A 140 -3.363 -12.725 -17.074 1.00 70.21 H new ATOM 0 HA LYS A 140 -4.591 -11.228 -19.164 1.00 52.31 H new ATOM 0 HB2 LYS A 140 -3.106 -13.890 -19.334 1.00 13.11 H new ATOM 0 HB3 LYS A 140 -3.287 -12.701 -20.608 1.00 13.11 H new ATOM 0 HG2 LYS A 140 -1.702 -12.320 -18.031 1.00 14.02 H new ATOM 0 HG3 LYS A 140 -1.021 -12.642 -19.613 1.00 14.02 H new ATOM 0 HD2 LYS A 140 -1.863 -10.464 -20.460 1.00 63.32 H new ATOM 0 HD3 LYS A 140 -2.663 -10.149 -18.933 1.00 63.32 H new ATOM 0 HE2 LYS A 140 -0.517 -8.921 -19.080 1.00 51.33 H new ATOM 0 HE3 LYS A 140 -0.492 -10.072 -17.759 1.00 51.33 H new ATOM 0 HZ1 LYS A 140 1.550 -10.062 -19.109 1.00 54.54 H new ATOM 0 HZ2 LYS A 140 0.799 -11.584 -19.066 1.00 54.54 H new ATOM 0 HZ3 LYS A 140 0.659 -10.607 -20.447 1.00 54.54 H new ATOM 2223 N SER A 141 -5.624 -14.389 -18.979 1.00 14.35 N ATOM 2224 CA SER A 141 -6.771 -15.294 -19.147 1.00 25.11 C ATOM 2225 C SER A 141 -7.578 -15.332 -17.829 1.00 24.33 C ATOM 2226 O SER A 141 -8.685 -14.756 -17.778 1.00 14.13 O ATOM 2227 CB SER A 141 -6.272 -16.707 -19.549 1.00 52.30 C ATOM 2228 OG SER A 141 -5.467 -16.648 -20.719 1.00 33.41 O ATOM 2229 OXT SER A 141 -7.076 -15.895 -16.827 1.00 38.00 O ATOM 0 H SER A 141 -4.768 -14.864 -18.693 1.00 14.35 H new ATOM 0 HA SER A 141 -7.423 -14.934 -19.943 1.00 25.11 H new ATOM 0 HB2 SER A 141 -5.698 -17.141 -18.730 1.00 52.30 H new ATOM 0 HB3 SER A 141 -7.125 -17.362 -19.723 1.00 52.30 H new ATOM 0 HG SER A 141 -5.163 -17.550 -20.952 1.00 33.41 H new TER 2235 SER A 141