USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 728 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 41 SER OG : rot -175:sc= 1.13 USER MOD Set 1.2: A 92 TYR OH : rot -131:sc= 1.23 USER MOD Set 2.1: A 47 TYR OH : rot 112:sc= 1.19 USER MOD Set 2.2: A 66 TYR OH : rot -102:sc= 0.121 USER MOD Set 3.1: A 24 THR OG1 : rot -76:sc= 0.968 USER MOD Set 3.2: A 83 HIS : no HD1:sc= -1.98! K(o=-1!,f=-4.7) USER MOD Set 4.1: A 7 ASN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Set 4.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= 1.59 (180deg=-1.32!) USER MOD Single : A 6 ASN : amide:sc= 0.0144 K(o=0.014,f=-4.6!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -3.12! C(o=-3.1!,f=-4.7!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 165:sc= -0.0485 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.215 F(o=-1.2!,f=-0.22) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.117 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 1.56 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00483 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -6:sc= -0.0208 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.53 K(o=-1.5,f=-4.6!) USER MOD Single : A 69 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.7!) USER MOD Single : A 71 SER OG : rot 66:sc= -0.917 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 46:sc= 0.979 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0437 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -120:sc= 1.19 (180deg=-0.151) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 14:sc= 0.622 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 74:sc= 0.143 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -5.51! C(o=-5.5!,f=-15!) USER MOD Single : A 101 TYR OH : rot -129:sc= -0.298 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.449 -0.667 0.518 1.00 73.14 N ATOM 2 CA GLY A 1 1.843 -0.786 -0.874 1.00 2.31 C ATOM 3 C GLY A 1 2.710 -2.002 -1.129 1.00 24.50 C ATOM 4 O GLY A 1 2.235 -3.016 -1.638 1.00 74.23 O ATOM 0 H1 GLY A 1 0.858 0.180 0.640 1.00 73.14 H new ATOM 0 H2 GLY A 1 0.909 -1.510 0.799 1.00 73.14 H new ATOM 0 H3 GLY A 1 2.298 -0.585 1.113 1.00 73.14 H new ATOM 0 HA2 GLY A 1 0.951 -0.843 -1.497 1.00 2.31 H new ATOM 0 HA3 GLY A 1 2.384 0.112 -1.173 1.00 2.31 H new ATOM 8 N ASN A 2 3.988 -1.902 -0.775 1.00 53.54 N ATOM 9 CA ASN A 2 4.924 -3.002 -0.971 1.00 62.23 C ATOM 10 C ASN A 2 6.048 -2.950 0.059 1.00 30.23 C ATOM 11 O ASN A 2 6.020 -2.137 0.983 1.00 25.23 O ATOM 12 CB ASN A 2 5.510 -2.956 -2.384 1.00 0.40 C ATOM 13 CG ASN A 2 4.438 -2.983 -3.456 1.00 14.02 C ATOM 14 OD1 ASN A 2 4.133 -1.961 -4.071 1.00 13.03 O ATOM 15 ND2 ASN A 2 3.859 -4.156 -3.684 1.00 64.52 N ATOM 0 H ASN A 2 4.398 -1.070 -0.351 1.00 53.54 H new ATOM 0 HA ASN A 2 4.379 -3.937 -0.841 1.00 62.23 H new ATOM 0 HB2 ASN A 2 6.110 -2.053 -2.496 1.00 0.40 H new ATOM 0 HB3 ASN A 2 6.181 -3.803 -2.524 1.00 0.40 H new ATOM 0 HD21 ASN A 2 3.130 -4.236 -4.393 1.00 64.52 H new ATOM 0 HD22 ASN A 2 4.143 -4.977 -3.150 1.00 64.52 H new ATOM 22 N VAL A 3 7.036 -3.823 -0.106 1.00 64.44 N ATOM 23 CA VAL A 3 8.171 -3.876 0.808 1.00 70.42 C ATOM 24 C VAL A 3 9.485 -3.658 0.066 1.00 30.12 C ATOM 25 O VAL A 3 9.933 -4.519 -0.692 1.00 23.21 O ATOM 26 CB VAL A 3 8.231 -5.225 1.550 1.00 0.42 C ATOM 27 CG1 VAL A 3 7.250 -5.239 2.712 1.00 15.31 C ATOM 28 CG2 VAL A 3 7.952 -6.373 0.592 1.00 3.21 C ATOM 0 H VAL A 3 7.074 -4.504 -0.865 1.00 64.44 H new ATOM 0 HA VAL A 3 8.030 -3.076 1.534 1.00 70.42 H new ATOM 0 HB VAL A 3 9.236 -5.354 1.952 1.00 0.42 H new ATOM 0 HG11 VAL A 3 7.306 -6.200 3.224 1.00 15.31 H new ATOM 0 HG12 VAL A 3 7.501 -4.440 3.410 1.00 15.31 H new ATOM 0 HG13 VAL A 3 6.238 -5.087 2.336 1.00 15.31 H new ATOM 0 HG21 VAL A 3 7.999 -7.318 1.133 1.00 3.21 H new ATOM 0 HG22 VAL A 3 6.959 -6.252 0.158 1.00 3.21 H new ATOM 0 HG23 VAL A 3 8.698 -6.373 -0.203 1.00 3.21 H new ATOM 38 N LEU A 4 10.099 -2.501 0.290 1.00 72.42 N ATOM 39 CA LEU A 4 11.363 -2.169 -0.357 1.00 5.11 C ATOM 40 C LEU A 4 12.370 -1.634 0.657 1.00 34.42 C ATOM 41 O LEU A 4 11.996 -1.005 1.647 1.00 35.01 O ATOM 42 CB LEU A 4 11.138 -1.135 -1.462 1.00 34.42 C ATOM 43 CG LEU A 4 10.073 -0.075 -1.181 1.00 53.41 C ATOM 44 CD1 LEU A 4 10.519 1.282 -1.705 1.00 20.50 C ATOM 45 CD2 LEU A 4 8.743 -0.477 -1.802 1.00 13.22 C ATOM 0 H LEU A 4 9.742 -1.778 0.914 1.00 72.42 H new ATOM 0 HA LEU A 4 11.767 -3.081 -0.797 1.00 5.11 H new ATOM 0 HB2 LEU A 4 12.084 -0.629 -1.657 1.00 34.42 H new ATOM 0 HB3 LEU A 4 10.865 -1.663 -2.376 1.00 34.42 H new ATOM 0 HG LEU A 4 9.939 0.001 -0.102 1.00 53.41 H new ATOM 0 HD11 LEU A 4 9.748 2.024 -1.496 1.00 20.50 H new ATOM 0 HD12 LEU A 4 11.447 1.575 -1.214 1.00 20.50 H new ATOM 0 HD13 LEU A 4 10.682 1.221 -2.781 1.00 20.50 H new ATOM 0 HD21 LEU A 4 7.997 0.289 -1.592 1.00 13.22 H new ATOM 0 HD22 LEU A 4 8.862 -0.582 -2.880 1.00 13.22 H new ATOM 0 HD23 LEU A 4 8.416 -1.427 -1.379 1.00 13.22 H new ATOM 57 N LYS A 5 13.649 -1.887 0.403 1.00 21.32 N ATOM 58 CA LYS A 5 14.711 -1.429 1.291 1.00 20.11 C ATOM 59 C LYS A 5 16.032 -1.301 0.539 1.00 53.22 C ATOM 60 O LYS A 5 16.483 -0.195 0.243 1.00 23.33 O ATOM 61 CB LYS A 5 14.873 -2.395 2.467 1.00 63.43 C ATOM 62 CG LYS A 5 15.844 -1.905 3.527 1.00 21.42 C ATOM 63 CD LYS A 5 15.486 -0.509 4.008 1.00 65.00 C ATOM 64 CE LYS A 5 14.055 -0.445 4.518 1.00 51.42 C ATOM 65 NZ LYS A 5 13.193 0.400 3.645 1.00 32.21 N ATOM 0 H LYS A 5 13.976 -2.407 -0.411 1.00 21.32 H new ATOM 0 HA LYS A 5 14.433 -0.446 1.672 1.00 20.11 H new ATOM 0 HB2 LYS A 5 13.899 -2.561 2.927 1.00 63.43 H new ATOM 0 HB3 LYS A 5 15.215 -3.359 2.090 1.00 63.43 H new ATOM 0 HG2 LYS A 5 15.840 -2.594 4.372 1.00 21.42 H new ATOM 0 HG3 LYS A 5 16.856 -1.903 3.122 1.00 21.42 H new ATOM 0 HD2 LYS A 5 16.170 -0.210 4.802 1.00 65.00 H new ATOM 0 HD3 LYS A 5 15.615 0.202 3.192 1.00 65.00 H new ATOM 0 HE2 LYS A 5 13.642 -1.453 4.570 1.00 51.42 H new ATOM 0 HE3 LYS A 5 14.048 -0.045 5.532 1.00 51.42 H new ATOM 0 HZ1 LYS A 5 12.393 0.768 4.199 1.00 32.21 H new ATOM 0 HZ2 LYS A 5 13.750 1.195 3.271 1.00 32.21 H new ATOM 0 HZ3 LYS A 5 12.833 -0.172 2.855 1.00 32.21 H new ATOM 79 N ASN A 6 16.645 -2.439 0.231 1.00 41.12 N ATOM 80 CA ASN A 6 17.914 -2.453 -0.488 1.00 71.03 C ATOM 81 C ASN A 6 17.750 -1.877 -1.892 1.00 22.24 C ATOM 82 O ASN A 6 16.646 -1.839 -2.433 1.00 1.12 O ATOM 83 CB ASN A 6 18.461 -3.879 -0.571 1.00 23.32 C ATOM 84 CG ASN A 6 19.971 -3.928 -0.438 1.00 43.33 C ATOM 85 OD1 ASN A 6 20.659 -2.936 -0.683 1.00 30.32 O ATOM 86 ND2 ASN A 6 20.494 -5.085 -0.050 1.00 2.23 N ATOM 0 H ASN A 6 16.284 -3.363 0.468 1.00 41.12 H new ATOM 0 HA ASN A 6 18.621 -1.831 0.061 1.00 71.03 H new ATOM 0 HB2 ASN A 6 18.010 -4.484 0.215 1.00 23.32 H new ATOM 0 HB3 ASN A 6 18.168 -4.323 -1.523 1.00 23.32 H new ATOM 0 HD21 ASN A 6 21.504 -5.178 0.056 1.00 2.23 H new ATOM 0 HD22 ASN A 6 19.886 -5.881 0.142 1.00 2.23 H new ATOM 93 N ASN A 7 18.858 -1.431 -2.475 1.00 51.01 N ATOM 94 CA ASN A 7 18.838 -0.857 -3.816 1.00 34.13 C ATOM 95 C ASN A 7 18.633 0.654 -3.758 1.00 32.34 C ATOM 96 O ASN A 7 19.537 1.427 -4.075 1.00 52.34 O ATOM 97 CB ASN A 7 17.730 -1.501 -4.652 1.00 63.41 C ATOM 98 CG ASN A 7 18.041 -1.481 -6.136 1.00 72.34 C ATOM 99 OD1 ASN A 7 18.986 -2.124 -6.593 1.00 24.02 O ATOM 100 ND2 ASN A 7 17.244 -0.740 -6.897 1.00 73.55 N ATOM 0 H ASN A 7 19.780 -1.456 -2.040 1.00 51.01 H new ATOM 0 HA ASN A 7 19.801 -1.058 -4.285 1.00 34.13 H new ATOM 0 HB2 ASN A 7 17.586 -2.532 -4.327 1.00 63.41 H new ATOM 0 HB3 ASN A 7 16.792 -0.976 -4.473 1.00 63.41 H new ATOM 0 HD21 ASN A 7 17.404 -0.688 -7.903 1.00 73.55 H new ATOM 0 HD22 ASN A 7 16.472 -0.223 -6.475 1.00 73.55 H new ATOM 107 N THR A 8 17.437 1.068 -3.349 1.00 5.22 N ATOM 108 CA THR A 8 17.113 2.485 -3.249 1.00 51.53 C ATOM 109 C THR A 8 16.445 2.804 -1.916 1.00 44.34 C ATOM 110 O THR A 8 15.401 2.252 -1.570 1.00 24.54 O ATOM 111 CB THR A 8 16.185 2.931 -4.395 1.00 14.01 C ATOM 112 OG1 THR A 8 16.704 2.479 -5.650 1.00 44.34 O ATOM 113 CG2 THR A 8 16.039 4.445 -4.416 1.00 2.23 C ATOM 0 H THR A 8 16.678 0.442 -3.082 1.00 5.22 H new ATOM 0 HA THR A 8 18.054 3.030 -3.320 1.00 51.53 H new ATOM 0 HB THR A 8 15.202 2.490 -4.229 1.00 14.01 H new ATOM 0 HG1 THR A 8 16.107 2.765 -6.373 1.00 44.34 H new ATOM 0 HG21 THR A 8 15.379 4.736 -5.234 1.00 2.23 H new ATOM 0 HG22 THR A 8 15.615 4.783 -3.470 1.00 2.23 H new ATOM 0 HG23 THR A 8 17.018 4.903 -4.559 1.00 2.23 H new ATOM 121 N PRO A 9 17.059 3.718 -1.150 1.00 24.33 N ATOM 122 CA PRO A 9 16.541 4.132 0.157 1.00 32.34 C ATOM 123 C PRO A 9 15.259 4.949 0.040 1.00 33.30 C ATOM 124 O PRO A 9 15.006 5.582 -0.985 1.00 1.53 O ATOM 125 CB PRO A 9 17.671 4.990 0.732 1.00 71.51 C ATOM 126 CG PRO A 9 18.403 5.500 -0.461 1.00 22.30 C ATOM 127 CD PRO A 9 18.307 4.417 -1.500 1.00 40.12 C ATOM 0 HA PRO A 9 16.278 3.277 0.780 1.00 32.34 H new ATOM 0 HB2 PRO A 9 17.279 5.808 1.336 1.00 71.51 H new ATOM 0 HB3 PRO A 9 18.325 4.403 1.377 1.00 71.51 H new ATOM 0 HG2 PRO A 9 17.961 6.428 -0.823 1.00 22.30 H new ATOM 0 HG3 PRO A 9 19.443 5.716 -0.218 1.00 22.30 H new ATOM 0 HD2 PRO A 9 18.267 4.830 -2.508 1.00 40.12 H new ATOM 0 HD3 PRO A 9 19.166 3.748 -1.463 1.00 40.12 H new ATOM 135 N VAL A 10 14.452 4.930 1.096 1.00 12.22 N ATOM 136 CA VAL A 10 13.196 5.671 1.112 1.00 60.10 C ATOM 137 C VAL A 10 13.439 7.160 1.330 1.00 1.03 C ATOM 138 O VAL A 10 13.922 7.573 2.385 1.00 70.42 O ATOM 139 CB VAL A 10 12.251 5.150 2.211 1.00 73.33 C ATOM 140 CG1 VAL A 10 10.973 5.975 2.252 1.00 64.42 C ATOM 141 CG2 VAL A 10 11.938 3.678 1.989 1.00 34.42 C ATOM 0 H VAL A 10 14.645 4.410 1.952 1.00 12.22 H new ATOM 0 HA VAL A 10 12.728 5.521 0.139 1.00 60.10 H new ATOM 0 HB VAL A 10 12.751 5.251 3.174 1.00 73.33 H new ATOM 0 HG11 VAL A 10 10.318 5.592 3.034 1.00 64.42 H new ATOM 0 HG12 VAL A 10 11.219 7.016 2.462 1.00 64.42 H new ATOM 0 HG13 VAL A 10 10.466 5.909 1.289 1.00 64.42 H new ATOM 0 HG21 VAL A 10 11.269 3.326 2.774 1.00 34.42 H new ATOM 0 HG22 VAL A 10 11.458 3.550 1.019 1.00 34.42 H new ATOM 0 HG23 VAL A 10 12.863 3.102 2.014 1.00 34.42 H new ATOM 151 N SER A 11 13.101 7.963 0.326 1.00 34.34 N ATOM 152 CA SER A 11 13.285 9.407 0.407 1.00 70.00 C ATOM 153 C SER A 11 12.050 10.080 0.998 1.00 40.20 C ATOM 154 O SER A 11 10.988 9.469 1.105 1.00 31.21 O ATOM 155 CB SER A 11 13.579 9.983 -0.979 1.00 64.15 C ATOM 156 OG SER A 11 14.296 9.055 -1.775 1.00 43.14 O ATOM 0 H SER A 11 12.698 7.638 -0.553 1.00 34.34 H new ATOM 0 HA SER A 11 14.133 9.604 1.062 1.00 70.00 H new ATOM 0 HB2 SER A 11 12.644 10.245 -1.473 1.00 64.15 H new ATOM 0 HB3 SER A 11 14.155 10.903 -0.879 1.00 64.15 H new ATOM 0 HG SER A 11 14.470 9.446 -2.657 1.00 43.14 H new ATOM 162 N ASN A 12 12.199 11.344 1.380 1.00 11.43 N ATOM 163 CA ASN A 12 11.096 12.102 1.961 1.00 5.04 C ATOM 164 C ASN A 12 10.280 11.232 2.912 1.00 21.12 C ATOM 165 O ASN A 12 9.057 11.145 2.796 1.00 31.30 O ATOM 166 CB ASN A 12 10.194 12.657 0.858 1.00 73.34 C ATOM 167 CG ASN A 12 9.716 11.578 -0.095 1.00 71.11 C ATOM 168 OD1 ASN A 12 10.441 11.170 -1.003 1.00 12.22 O ATOM 169 ND2 ASN A 12 8.490 11.110 0.108 1.00 54.31 N ATOM 0 H ASN A 12 13.072 11.865 1.298 1.00 11.43 H new ATOM 0 HA ASN A 12 11.517 12.932 2.528 1.00 5.04 H new ATOM 0 HB2 ASN A 12 9.332 13.147 1.310 1.00 73.34 H new ATOM 0 HB3 ASN A 12 10.736 13.419 0.298 1.00 73.34 H new ATOM 0 HD21 ASN A 12 8.114 10.383 -0.501 1.00 54.31 H new ATOM 0 HD22 ASN A 12 7.924 11.477 0.873 1.00 54.31 H new ATOM 176 N LEU A 13 10.964 10.590 3.853 1.00 43.32 N ATOM 177 CA LEU A 13 10.303 9.727 4.825 1.00 23.03 C ATOM 178 C LEU A 13 9.248 10.499 5.611 1.00 41.44 C ATOM 179 O LEU A 13 9.028 11.688 5.374 1.00 71.31 O ATOM 180 CB LEU A 13 11.332 9.126 5.785 1.00 15.13 C ATOM 181 CG LEU A 13 11.784 7.699 5.476 1.00 25.32 C ATOM 182 CD1 LEU A 13 13.146 7.425 6.096 1.00 33.43 C ATOM 183 CD2 LEU A 13 10.757 6.693 5.975 1.00 51.21 C ATOM 0 H LEU A 13 11.976 10.651 3.963 1.00 43.32 H new ATOM 0 HA LEU A 13 9.808 8.922 4.282 1.00 23.03 H new ATOM 0 HB2 LEU A 13 12.211 9.770 5.794 1.00 15.13 H new ATOM 0 HB3 LEU A 13 10.914 9.144 6.792 1.00 15.13 H new ATOM 0 HG LEU A 13 11.871 7.592 4.395 1.00 25.32 H new ATOM 0 HD11 LEU A 13 13.452 6.404 5.866 1.00 33.43 H new ATOM 0 HD12 LEU A 13 13.878 8.123 5.690 1.00 33.43 H new ATOM 0 HD13 LEU A 13 13.086 7.551 7.177 1.00 33.43 H new ATOM 0 HD21 LEU A 13 11.096 5.683 5.746 1.00 51.21 H new ATOM 0 HD22 LEU A 13 10.637 6.800 7.053 1.00 51.21 H new ATOM 0 HD23 LEU A 13 9.801 6.875 5.484 1.00 51.21 H new ATOM 195 N THR A 14 8.599 9.817 6.549 1.00 54.02 N ATOM 196 CA THR A 14 7.567 10.439 7.370 1.00 25.41 C ATOM 197 C THR A 14 7.705 10.025 8.831 1.00 53.11 C ATOM 198 O THR A 14 7.961 8.861 9.135 1.00 33.03 O ATOM 199 CB THR A 14 6.156 10.070 6.874 1.00 24.04 C ATOM 200 OG1 THR A 14 6.080 8.664 6.615 1.00 61.22 O ATOM 201 CG2 THR A 14 5.807 10.844 5.612 1.00 21.40 C ATOM 0 H THR A 14 8.770 8.834 6.759 1.00 54.02 H new ATOM 0 HA THR A 14 7.702 11.517 7.286 1.00 25.41 H new ATOM 0 HB THR A 14 5.440 10.334 7.652 1.00 24.04 H new ATOM 0 HG1 THR A 14 5.180 8.437 6.302 1.00 61.22 H new ATOM 0 HG21 THR A 14 4.806 10.567 5.280 1.00 21.40 H new ATOM 0 HG22 THR A 14 5.837 11.913 5.821 1.00 21.40 H new ATOM 0 HG23 THR A 14 6.527 10.607 4.829 1.00 21.40 H new ATOM 209 N GLY A 15 7.532 10.987 9.732 1.00 11.24 N ATOM 210 CA GLY A 15 7.640 10.702 11.151 1.00 11.33 C ATOM 211 C GLY A 15 6.530 11.346 11.958 1.00 0.51 C ATOM 212 O GLY A 15 6.792 12.109 12.887 1.00 35.25 O ATOM 0 H GLY A 15 7.319 11.958 9.505 1.00 11.24 H new ATOM 0 HA2 GLY A 15 7.618 9.623 11.304 1.00 11.33 H new ATOM 0 HA3 GLY A 15 8.604 11.056 11.517 1.00 11.33 H new ATOM 216 N ASN A 16 5.287 11.041 11.601 1.00 71.31 N ATOM 217 CA ASN A 16 4.133 11.597 12.297 1.00 13.44 C ATOM 218 C ASN A 16 3.942 10.928 13.655 1.00 74.00 C ATOM 219 O ASN A 16 4.299 9.765 13.842 1.00 33.40 O ATOM 220 CB ASN A 16 2.870 11.429 11.451 1.00 74.54 C ATOM 221 CG ASN A 16 1.912 12.595 11.601 1.00 4.11 C ATOM 222 OD1 ASN A 16 2.255 13.622 12.188 1.00 33.54 O ATOM 223 ND2 ASN A 16 0.705 12.442 11.070 1.00 61.13 N ATOM 0 H ASN A 16 5.053 10.411 10.833 1.00 71.31 H new ATOM 0 HA ASN A 16 4.315 12.660 12.458 1.00 13.44 H new ATOM 0 HB2 ASN A 16 3.150 11.325 10.403 1.00 74.54 H new ATOM 0 HB3 ASN A 16 2.364 10.508 11.739 1.00 74.54 H new ATOM 0 HD21 ASN A 16 0.018 13.193 11.139 1.00 61.13 H new ATOM 0 HD22 ASN A 16 0.464 11.573 10.592 1.00 61.13 H new ATOM 230 N LYS A 17 3.375 11.671 14.600 1.00 22.51 N ATOM 231 CA LYS A 17 3.134 11.150 15.941 1.00 51.24 C ATOM 232 C LYS A 17 2.454 9.786 15.880 1.00 14.35 C ATOM 233 O LYS A 17 2.689 8.927 16.728 1.00 31.54 O ATOM 234 CB LYS A 17 2.271 12.128 16.742 1.00 73.44 C ATOM 235 CG LYS A 17 3.038 13.330 17.264 1.00 63.30 C ATOM 236 CD LYS A 17 2.842 14.546 16.375 1.00 15.20 C ATOM 237 CE LYS A 17 3.620 15.746 16.892 1.00 45.01 C ATOM 238 NZ LYS A 17 2.765 16.654 17.705 1.00 41.31 N ATOM 0 H LYS A 17 3.074 12.636 14.462 1.00 22.51 H new ATOM 0 HA LYS A 17 4.097 11.034 16.438 1.00 51.24 H new ATOM 0 HB2 LYS A 17 1.452 12.476 16.113 1.00 73.44 H new ATOM 0 HB3 LYS A 17 1.824 11.599 17.584 1.00 73.44 H new ATOM 0 HG2 LYS A 17 2.708 13.562 18.277 1.00 63.30 H new ATOM 0 HG3 LYS A 17 4.099 13.088 17.322 1.00 63.30 H new ATOM 0 HD2 LYS A 17 3.164 14.312 15.360 1.00 15.20 H new ATOM 0 HD3 LYS A 17 1.782 14.793 16.324 1.00 15.20 H new ATOM 0 HE2 LYS A 17 4.460 15.402 17.495 1.00 45.01 H new ATOM 0 HE3 LYS A 17 4.038 16.298 16.050 1.00 45.01 H new ATOM 0 HZ1 LYS A 17 3.333 17.459 18.039 1.00 41.31 H new ATOM 0 HZ2 LYS A 17 1.978 17.003 17.122 1.00 41.31 H new ATOM 0 HZ3 LYS A 17 2.387 16.135 18.523 1.00 41.31 H new ATOM 252 N GLY A 18 1.610 9.595 14.871 1.00 35.31 N ATOM 253 CA GLY A 18 0.910 8.333 14.719 1.00 75.42 C ATOM 254 C GLY A 18 1.340 7.577 13.477 1.00 54.31 C ATOM 255 O GLY A 18 1.796 6.437 13.562 1.00 3.44 O ATOM 0 H GLY A 18 1.399 10.291 14.156 1.00 35.31 H new ATOM 0 HA2 GLY A 18 1.089 7.714 15.598 1.00 75.42 H new ATOM 0 HA3 GLY A 18 -0.163 8.519 14.674 1.00 75.42 H new ATOM 259 N SER A 19 1.192 8.213 12.319 1.00 62.22 N ATOM 260 CA SER A 19 1.564 7.591 11.053 1.00 12.31 C ATOM 261 C SER A 19 2.981 7.030 11.119 1.00 32.40 C ATOM 262 O SER A 19 3.882 7.655 11.677 1.00 72.11 O ATOM 263 CB SER A 19 1.457 8.605 9.912 1.00 5.13 C ATOM 264 OG SER A 19 0.346 8.322 9.080 1.00 31.22 O ATOM 0 H SER A 19 0.818 9.158 12.231 1.00 62.22 H new ATOM 0 HA SER A 19 0.875 6.768 10.864 1.00 12.31 H new ATOM 0 HB2 SER A 19 1.361 9.610 10.323 1.00 5.13 H new ATOM 0 HB3 SER A 19 2.372 8.589 9.320 1.00 5.13 H new ATOM 0 HG SER A 19 0.299 8.985 8.360 1.00 31.22 H new ATOM 270 N GLU A 20 3.168 5.845 10.545 1.00 45.30 N ATOM 271 CA GLU A 20 4.475 5.199 10.539 1.00 24.53 C ATOM 272 C GLU A 20 4.755 4.549 9.187 1.00 31.31 C ATOM 273 O GLU A 20 3.896 4.530 8.305 1.00 1.12 O ATOM 274 CB GLU A 20 4.554 4.147 11.648 1.00 12.55 C ATOM 275 CG GLU A 20 4.328 4.714 13.040 1.00 24.44 C ATOM 276 CD GLU A 20 3.190 4.028 13.772 1.00 45.23 C ATOM 277 OE1 GLU A 20 2.128 3.819 13.150 1.00 34.42 O ATOM 278 OE2 GLU A 20 3.362 3.702 14.965 1.00 62.13 O ATOM 0 H GLU A 20 2.432 5.314 10.079 1.00 45.30 H new ATOM 0 HA GLU A 20 5.230 5.964 10.719 1.00 24.53 H new ATOM 0 HB2 GLU A 20 3.813 3.372 11.456 1.00 12.55 H new ATOM 0 HB3 GLU A 20 5.532 3.668 11.614 1.00 12.55 H new ATOM 0 HG2 GLU A 20 5.244 4.612 13.623 1.00 24.44 H new ATOM 0 HG3 GLU A 20 4.116 5.780 12.964 1.00 24.44 H new ATOM 285 N VAL A 21 5.963 4.017 9.031 1.00 21.12 N ATOM 286 CA VAL A 21 6.357 3.366 7.788 1.00 61.53 C ATOM 287 C VAL A 21 7.197 2.123 8.060 1.00 32.34 C ATOM 288 O VAL A 21 8.100 2.142 8.897 1.00 62.23 O ATOM 289 CB VAL A 21 7.155 4.322 6.881 1.00 33.14 C ATOM 290 CG1 VAL A 21 6.276 4.850 5.758 1.00 40.03 C ATOM 291 CG2 VAL A 21 7.737 5.466 7.697 1.00 50.51 C ATOM 0 H VAL A 21 6.686 4.024 9.751 1.00 21.12 H new ATOM 0 HA VAL A 21 5.438 3.076 7.279 1.00 61.53 H new ATOM 0 HB VAL A 21 7.980 3.768 6.434 1.00 33.14 H new ATOM 0 HG11 VAL A 21 6.857 5.524 5.128 1.00 40.03 H new ATOM 0 HG12 VAL A 21 5.911 4.016 5.158 1.00 40.03 H new ATOM 0 HG13 VAL A 21 5.429 5.390 6.182 1.00 40.03 H new ATOM 0 HG21 VAL A 21 8.298 6.132 7.041 1.00 50.51 H new ATOM 0 HG22 VAL A 21 6.929 6.021 8.173 1.00 50.51 H new ATOM 0 HG23 VAL A 21 8.402 5.066 8.462 1.00 50.51 H new ATOM 301 N PHE A 22 6.893 1.042 7.349 1.00 41.33 N ATOM 302 CA PHE A 22 7.620 -0.211 7.514 1.00 72.20 C ATOM 303 C PHE A 22 7.881 -0.871 6.163 1.00 54.20 C ATOM 304 O PHE A 22 7.100 -0.716 5.223 1.00 3.12 O ATOM 305 CB PHE A 22 6.835 -1.165 8.417 1.00 71.11 C ATOM 306 CG PHE A 22 5.461 -1.486 7.900 1.00 5.42 C ATOM 307 CD1 PHE A 22 5.281 -2.461 6.933 1.00 51.01 C ATOM 308 CD2 PHE A 22 4.351 -0.811 8.382 1.00 70.05 C ATOM 309 CE1 PHE A 22 4.018 -2.759 6.455 1.00 4.35 C ATOM 310 CE2 PHE A 22 3.086 -1.105 7.908 1.00 1.33 C ATOM 311 CZ PHE A 22 2.920 -2.079 6.943 1.00 13.22 C ATOM 0 H PHE A 22 6.148 1.009 6.653 1.00 41.33 H new ATOM 0 HA PHE A 22 8.579 0.013 7.980 1.00 72.20 H new ATOM 0 HB2 PHE A 22 7.398 -2.092 8.529 1.00 71.11 H new ATOM 0 HB3 PHE A 22 6.747 -0.723 9.410 1.00 71.11 H new ATOM 0 HD1 PHE A 22 6.137 -2.995 6.548 1.00 51.01 H new ATOM 0 HD2 PHE A 22 4.475 -0.047 9.136 1.00 70.05 H new ATOM 0 HE1 PHE A 22 3.891 -3.522 5.701 1.00 4.35 H new ATOM 0 HE2 PHE A 22 2.228 -0.573 8.292 1.00 1.33 H new ATOM 0 HZ PHE A 22 1.933 -2.308 6.571 1.00 13.22 H new ATOM 321 N TYR A 23 8.983 -1.606 6.074 1.00 62.23 N ATOM 322 CA TYR A 23 9.350 -2.287 4.838 1.00 74.33 C ATOM 323 C TYR A 23 10.045 -3.613 5.132 1.00 43.13 C ATOM 324 O TYR A 23 10.458 -3.875 6.262 1.00 14.12 O ATOM 325 CB TYR A 23 10.261 -1.397 3.991 1.00 31.10 C ATOM 326 CG TYR A 23 9.795 0.039 3.906 1.00 65.00 C ATOM 327 CD1 TYR A 23 8.815 0.420 2.998 1.00 31.33 C ATOM 328 CD2 TYR A 23 10.336 1.015 4.734 1.00 12.03 C ATOM 329 CE1 TYR A 23 8.387 1.731 2.917 1.00 64.32 C ATOM 330 CE2 TYR A 23 9.913 2.328 4.661 1.00 42.32 C ATOM 331 CZ TYR A 23 8.939 2.681 3.750 1.00 3.21 C ATOM 332 OH TYR A 23 8.515 3.988 3.673 1.00 60.00 O ATOM 0 H TYR A 23 9.638 -1.746 6.843 1.00 62.23 H new ATOM 0 HA TYR A 23 8.436 -2.493 4.281 1.00 74.33 H new ATOM 0 HB2 TYR A 23 11.268 -1.420 4.409 1.00 31.10 H new ATOM 0 HB3 TYR A 23 10.324 -1.810 2.984 1.00 31.10 H new ATOM 0 HD1 TYR A 23 8.380 -0.322 2.344 1.00 31.33 H new ATOM 0 HD2 TYR A 23 11.100 0.742 5.447 1.00 12.03 H new ATOM 0 HE1 TYR A 23 7.624 2.010 2.205 1.00 64.32 H new ATOM 0 HE2 TYR A 23 10.342 3.074 5.313 1.00 42.32 H new ATOM 0 HH TYR A 23 8.814 4.476 4.468 1.00 60.00 H new ATOM 342 N THR A 24 10.173 -4.447 4.105 1.00 63.25 N ATOM 343 CA THR A 24 10.818 -5.746 4.251 1.00 60.14 C ATOM 344 C THR A 24 11.718 -6.050 3.059 1.00 64.13 C ATOM 345 O THR A 24 11.361 -5.779 1.912 1.00 14.54 O ATOM 346 CB THR A 24 9.780 -6.875 4.397 1.00 64.11 C ATOM 347 OG1 THR A 24 8.905 -6.597 5.496 1.00 43.24 O ATOM 348 CG2 THR A 24 10.466 -8.215 4.615 1.00 61.31 C ATOM 0 H THR A 24 9.838 -4.246 3.163 1.00 63.25 H new ATOM 0 HA THR A 24 11.423 -5.699 5.157 1.00 60.14 H new ATOM 0 HB THR A 24 9.200 -6.927 3.476 1.00 64.11 H new ATOM 0 HG1 THR A 24 9.368 -6.785 6.339 1.00 43.24 H new ATOM 0 HG21 THR A 24 9.713 -8.997 4.715 1.00 61.31 H new ATOM 0 HG22 THR A 24 11.109 -8.437 3.763 1.00 61.31 H new ATOM 0 HG23 THR A 24 11.068 -8.172 5.523 1.00 61.31 H new ATOM 356 N PHE A 25 12.888 -6.616 3.336 1.00 4.11 N ATOM 357 CA PHE A 25 13.841 -6.957 2.286 1.00 52.12 C ATOM 358 C PHE A 25 14.853 -7.985 2.782 1.00 31.23 C ATOM 359 O PHE A 25 15.138 -8.067 3.978 1.00 41.34 O ATOM 360 CB PHE A 25 14.569 -5.701 1.801 1.00 74.44 C ATOM 361 CG PHE A 25 14.889 -5.724 0.333 1.00 10.54 C ATOM 362 CD1 PHE A 25 13.958 -5.295 -0.599 1.00 41.11 C ATOM 363 CD2 PHE A 25 16.121 -6.174 -0.113 1.00 50.44 C ATOM 364 CE1 PHE A 25 14.250 -5.314 -1.950 1.00 51.40 C ATOM 365 CE2 PHE A 25 16.418 -6.194 -1.463 1.00 25.11 C ATOM 366 CZ PHE A 25 15.481 -5.765 -2.382 1.00 44.14 C ATOM 0 H PHE A 25 13.199 -6.848 4.279 1.00 4.11 H new ATOM 0 HA PHE A 25 13.286 -7.392 1.454 1.00 52.12 H new ATOM 0 HB2 PHE A 25 13.954 -4.828 2.017 1.00 74.44 H new ATOM 0 HB3 PHE A 25 15.495 -5.586 2.365 1.00 74.44 H new ATOM 0 HD1 PHE A 25 12.993 -4.942 -0.266 1.00 41.11 H new ATOM 0 HD2 PHE A 25 16.857 -6.513 0.601 1.00 50.44 H new ATOM 0 HE1 PHE A 25 13.516 -4.976 -2.667 1.00 51.40 H new ATOM 0 HE2 PHE A 25 17.383 -6.545 -1.799 1.00 25.11 H new ATOM 0 HZ PHE A 25 15.711 -5.782 -3.437 1.00 44.14 H new ATOM 376 N THR A 26 15.393 -8.770 1.855 1.00 23.44 N ATOM 377 CA THR A 26 16.372 -9.795 2.197 1.00 11.33 C ATOM 378 C THR A 26 17.625 -9.667 1.338 1.00 13.14 C ATOM 379 O THR A 26 17.653 -8.902 0.374 1.00 61.20 O ATOM 380 CB THR A 26 15.788 -11.210 2.025 1.00 14.44 C ATOM 381 OG1 THR A 26 15.758 -11.562 0.638 1.00 71.11 O ATOM 382 CG2 THR A 26 14.383 -11.289 2.604 1.00 10.12 C ATOM 0 H THR A 26 15.169 -8.716 0.861 1.00 23.44 H new ATOM 0 HA THR A 26 16.635 -9.643 3.244 1.00 11.33 H new ATOM 0 HB THR A 26 16.426 -11.911 2.563 1.00 14.44 H new ATOM 0 HG1 THR A 26 15.387 -12.463 0.537 1.00 71.11 H new ATOM 0 HG21 THR A 26 13.991 -12.297 2.471 1.00 10.12 H new ATOM 0 HG22 THR A 26 14.413 -11.049 3.667 1.00 10.12 H new ATOM 0 HG23 THR A 26 13.737 -10.578 2.089 1.00 10.12 H new ATOM 390 N VAL A 27 18.660 -10.421 1.694 1.00 60.00 N ATOM 391 CA VAL A 27 19.916 -10.393 0.954 1.00 20.20 C ATOM 392 C VAL A 27 20.168 -11.721 0.250 1.00 64.54 C ATOM 393 O VAL A 27 19.457 -12.701 0.476 1.00 43.33 O ATOM 394 CB VAL A 27 21.106 -10.082 1.880 1.00 4.35 C ATOM 395 CG1 VAL A 27 21.066 -8.630 2.332 1.00 42.20 C ATOM 396 CG2 VAL A 27 21.110 -11.021 3.077 1.00 13.12 C ATOM 0 H VAL A 27 18.654 -11.059 2.490 1.00 60.00 H new ATOM 0 HA VAL A 27 19.828 -9.601 0.210 1.00 20.20 H new ATOM 0 HB VAL A 27 22.029 -10.239 1.321 1.00 4.35 H new ATOM 0 HG11 VAL A 27 21.915 -8.429 2.986 1.00 42.20 H new ATOM 0 HG12 VAL A 27 21.116 -7.976 1.461 1.00 42.20 H new ATOM 0 HG13 VAL A 27 20.139 -8.443 2.874 1.00 42.20 H new ATOM 0 HG21 VAL A 27 21.958 -10.787 3.721 1.00 13.12 H new ATOM 0 HG22 VAL A 27 20.184 -10.899 3.638 1.00 13.12 H new ATOM 0 HG23 VAL A 27 21.191 -12.051 2.731 1.00 13.12 H new ATOM 406 N ASP A 28 21.185 -11.748 -0.605 1.00 4.24 N ATOM 407 CA ASP A 28 21.533 -12.957 -1.342 1.00 5.21 C ATOM 408 C ASP A 28 23.035 -13.217 -1.280 1.00 63.34 C ATOM 409 O ASP A 28 23.559 -14.062 -2.007 1.00 30.11 O ATOM 410 CB ASP A 28 21.083 -12.839 -2.799 1.00 0.12 C ATOM 411 CG ASP A 28 20.423 -14.106 -3.305 1.00 65.53 C ATOM 412 OD1 ASP A 28 19.729 -14.773 -2.509 1.00 61.35 O ATOM 413 OD2 ASP A 28 20.601 -14.431 -4.498 1.00 30.42 O ATOM 0 H ASP A 28 21.783 -10.946 -0.805 1.00 4.24 H new ATOM 0 HA ASP A 28 21.017 -13.798 -0.878 1.00 5.21 H new ATOM 0 HB2 ASP A 28 20.386 -12.006 -2.895 1.00 0.12 H new ATOM 0 HB3 ASP A 28 21.945 -12.607 -3.425 1.00 0.12 H new ATOM 418 N ARG A 29 23.723 -12.485 -0.410 1.00 35.44 N ATOM 419 CA ARG A 29 25.164 -12.636 -0.255 1.00 44.32 C ATOM 420 C ARG A 29 25.655 -11.916 0.998 1.00 51.02 C ATOM 421 O ARG A 29 25.227 -10.801 1.292 1.00 5.32 O ATOM 422 CB ARG A 29 25.890 -12.091 -1.487 1.00 3.45 C ATOM 423 CG ARG A 29 25.484 -10.673 -1.855 1.00 71.13 C ATOM 424 CD ARG A 29 24.291 -10.663 -2.798 1.00 72.12 C ATOM 425 NE ARG A 29 24.311 -9.510 -3.694 1.00 61.13 N ATOM 426 CZ ARG A 29 23.259 -9.108 -4.398 1.00 13.31 C ATOM 427 NH1 ARG A 29 22.109 -9.761 -4.309 1.00 74.45 N ATOM 428 NH2 ARG A 29 23.355 -8.049 -5.192 1.00 5.11 N ATOM 0 H ARG A 29 23.305 -11.781 0.198 1.00 35.44 H new ATOM 0 HA ARG A 29 25.384 -13.699 -0.152 1.00 44.32 H new ATOM 0 HB2 ARG A 29 26.965 -12.117 -1.306 1.00 3.45 H new ATOM 0 HB3 ARG A 29 25.693 -12.748 -2.334 1.00 3.45 H new ATOM 0 HG2 ARG A 29 25.239 -10.117 -0.950 1.00 71.13 H new ATOM 0 HG3 ARG A 29 26.325 -10.163 -2.325 1.00 71.13 H new ATOM 0 HD2 ARG A 29 24.287 -11.580 -3.387 1.00 72.12 H new ATOM 0 HD3 ARG A 29 23.369 -10.654 -2.216 1.00 72.12 H new ATOM 0 HE ARG A 29 25.181 -8.985 -3.784 1.00 61.13 H new ATOM 0 HH11 ARG A 29 22.030 -10.574 -3.699 1.00 74.45 H new ATOM 0 HH12 ARG A 29 21.303 -9.450 -4.851 1.00 74.45 H new ATOM 0 HH21 ARG A 29 24.238 -7.543 -5.262 1.00 5.11 H new ATOM 0 HH22 ARG A 29 22.546 -7.742 -5.732 1.00 5.11 H new ATOM 442 N ASN A 30 26.554 -12.563 1.732 1.00 64.03 N ATOM 443 CA ASN A 30 27.102 -11.985 2.954 1.00 63.34 C ATOM 444 C ASN A 30 28.072 -10.852 2.632 1.00 22.33 C ATOM 445 O ASN A 30 29.092 -11.062 1.976 1.00 54.34 O ATOM 446 CB ASN A 30 27.813 -13.061 3.777 1.00 34.44 C ATOM 447 CG ASN A 30 28.774 -13.887 2.944 1.00 10.32 C ATOM 448 OD1 ASN A 30 28.258 -14.933 2.309 1.00 12.22 O flip ATOM 449 ND2 ASN A 30 29.966 -13.587 2.872 1.00 5.03 N flip ATOM 0 H ASN A 30 26.919 -13.487 1.502 1.00 64.03 H new ATOM 0 HA ASN A 30 26.276 -11.578 3.537 1.00 63.34 H new ATOM 0 HB2 ASN A 30 28.359 -12.588 4.594 1.00 34.44 H new ATOM 0 HB3 ASN A 30 27.070 -13.719 4.229 1.00 34.44 H new ATOM 0 HD21 ASN A 30 30.319 -12.774 3.377 1.00 5.03 H new ATOM 0 HD22 ASN A 30 30.601 -14.151 2.307 1.00 5.03 H new ATOM 456 N ALA A 31 27.747 -9.652 3.101 1.00 40.24 N ATOM 457 CA ALA A 31 28.590 -8.486 2.866 1.00 61.13 C ATOM 458 C ALA A 31 28.660 -7.601 4.105 1.00 2.42 C ATOM 459 O ALA A 31 27.688 -7.480 4.851 1.00 31.13 O ATOM 460 CB ALA A 31 28.073 -7.692 1.676 1.00 53.33 C ATOM 0 H ALA A 31 26.906 -9.462 3.646 1.00 40.24 H new ATOM 0 HA ALA A 31 29.598 -8.836 2.644 1.00 61.13 H new ATOM 0 HB1 ALA A 31 28.712 -6.824 1.512 1.00 53.33 H new ATOM 0 HB2 ALA A 31 28.082 -8.322 0.787 1.00 53.33 H new ATOM 0 HB3 ALA A 31 27.054 -7.360 1.875 1.00 53.33 H new ATOM 466 N THR A 32 29.817 -6.982 4.320 1.00 22.14 N ATOM 467 CA THR A 32 30.015 -6.109 5.471 1.00 72.14 C ATOM 468 C THR A 32 30.070 -4.646 5.047 1.00 1.20 C ATOM 469 O THR A 32 31.069 -4.187 4.494 1.00 61.44 O ATOM 470 CB THR A 32 31.309 -6.462 6.228 1.00 51.21 C ATOM 471 OG1 THR A 32 31.602 -5.448 7.196 1.00 50.03 O ATOM 472 CG2 THR A 32 32.478 -6.604 5.265 1.00 51.21 C ATOM 0 H THR A 32 30.631 -7.069 3.712 1.00 22.14 H new ATOM 0 HA THR A 32 29.163 -6.261 6.134 1.00 72.14 H new ATOM 0 HB THR A 32 31.159 -7.415 6.735 1.00 51.21 H new ATOM 0 HG1 THR A 32 32.425 -5.680 7.674 1.00 50.03 H new ATOM 0 HG21 THR A 32 33.381 -6.853 5.823 1.00 51.21 H new ATOM 0 HG22 THR A 32 32.264 -7.396 4.548 1.00 51.21 H new ATOM 0 HG23 THR A 32 32.628 -5.664 4.734 1.00 51.21 H new ATOM 480 N ALA A 33 28.991 -3.917 5.311 1.00 13.22 N ATOM 481 CA ALA A 33 28.918 -2.504 4.960 1.00 61.14 C ATOM 482 C ALA A 33 28.243 -1.698 6.064 1.00 50.43 C ATOM 483 O ALA A 33 27.375 -2.204 6.774 1.00 34.32 O ATOM 484 CB ALA A 33 28.176 -2.325 3.644 1.00 72.35 C ATOM 0 H ALA A 33 28.155 -4.282 5.767 1.00 13.22 H new ATOM 0 HA ALA A 33 29.936 -2.131 4.845 1.00 61.14 H new ATOM 0 HB1 ALA A 33 28.129 -1.265 3.394 1.00 72.35 H new ATOM 0 HB2 ALA A 33 28.702 -2.861 2.854 1.00 72.35 H new ATOM 0 HB3 ALA A 33 27.165 -2.720 3.740 1.00 72.35 H new ATOM 490 N VAL A 34 28.648 -0.439 6.203 1.00 21.33 N ATOM 491 CA VAL A 34 28.082 0.438 7.221 1.00 32.21 C ATOM 492 C VAL A 34 27.294 1.578 6.587 1.00 15.20 C ATOM 493 O VAL A 34 27.864 2.461 5.946 1.00 63.54 O ATOM 494 CB VAL A 34 29.179 1.028 8.127 1.00 51.02 C ATOM 495 CG1 VAL A 34 28.582 2.026 9.108 1.00 62.23 C ATOM 496 CG2 VAL A 34 29.915 -0.081 8.863 1.00 0.02 C ATOM 0 H VAL A 34 29.366 -0.004 5.623 1.00 21.33 H new ATOM 0 HA VAL A 34 27.411 -0.171 7.826 1.00 32.21 H new ATOM 0 HB VAL A 34 29.898 1.556 7.501 1.00 51.02 H new ATOM 0 HG11 VAL A 34 29.372 2.432 9.740 1.00 62.23 H new ATOM 0 HG12 VAL A 34 28.105 2.837 8.557 1.00 62.23 H new ATOM 0 HG13 VAL A 34 27.841 1.525 9.731 1.00 62.23 H new ATOM 0 HG21 VAL A 34 30.687 0.354 9.498 1.00 0.02 H new ATOM 0 HG22 VAL A 34 29.210 -0.639 9.479 1.00 0.02 H new ATOM 0 HG23 VAL A 34 30.377 -0.753 8.140 1.00 0.02 H new ATOM 506 N VAL A 35 25.977 1.555 6.771 1.00 22.50 N ATOM 507 CA VAL A 35 25.109 2.588 6.218 1.00 23.44 C ATOM 508 C VAL A 35 24.223 3.196 7.299 1.00 53.30 C ATOM 509 O VAL A 35 23.726 2.493 8.178 1.00 23.55 O ATOM 510 CB VAL A 35 24.218 2.029 5.093 1.00 2.11 C ATOM 511 CG1 VAL A 35 23.392 3.141 4.464 1.00 25.11 C ATOM 512 CG2 VAL A 35 25.065 1.324 4.044 1.00 33.22 C ATOM 0 H VAL A 35 25.488 0.832 7.299 1.00 22.50 H new ATOM 0 HA VAL A 35 25.758 3.361 5.806 1.00 23.44 H new ATOM 0 HB VAL A 35 23.533 1.299 5.524 1.00 2.11 H new ATOM 0 HG11 VAL A 35 22.769 2.727 3.671 1.00 25.11 H new ATOM 0 HG12 VAL A 35 22.757 3.597 5.224 1.00 25.11 H new ATOM 0 HG13 VAL A 35 24.057 3.896 4.046 1.00 25.11 H new ATOM 0 HG21 VAL A 35 24.420 0.935 3.256 1.00 33.22 H new ATOM 0 HG22 VAL A 35 25.775 2.031 3.615 1.00 33.22 H new ATOM 0 HG23 VAL A 35 25.608 0.500 4.508 1.00 33.22 H new ATOM 522 N SER A 36 24.027 4.509 7.226 1.00 4.14 N ATOM 523 CA SER A 36 23.203 5.214 8.201 1.00 52.34 C ATOM 524 C SER A 36 22.095 6.001 7.507 1.00 60.04 C ATOM 525 O SER A 36 22.121 6.188 6.290 1.00 51.52 O ATOM 526 CB SER A 36 24.064 6.158 9.041 1.00 4.35 C ATOM 527 OG SER A 36 24.210 7.417 8.407 1.00 14.22 O ATOM 0 H SER A 36 24.427 5.106 6.502 1.00 4.14 H new ATOM 0 HA SER A 36 22.744 4.473 8.856 1.00 52.34 H new ATOM 0 HB2 SER A 36 23.610 6.292 10.023 1.00 4.35 H new ATOM 0 HB3 SER A 36 25.046 5.713 9.202 1.00 4.35 H new ATOM 0 HG SER A 36 24.763 8.002 8.965 1.00 14.22 H new ATOM 533 N ILE A 37 21.124 6.458 8.289 1.00 14.52 N ATOM 534 CA ILE A 37 20.007 7.226 7.751 1.00 62.40 C ATOM 535 C ILE A 37 20.067 8.679 8.210 1.00 71.35 C ATOM 536 O ILE A 37 20.585 8.980 9.285 1.00 54.32 O ATOM 537 CB ILE A 37 18.654 6.622 8.172 1.00 63.45 C ATOM 538 CG1 ILE A 37 18.103 7.354 9.397 1.00 71.24 C ATOM 539 CG2 ILE A 37 18.804 5.135 8.459 1.00 5.22 C ATOM 540 CD1 ILE A 37 18.890 7.093 10.662 1.00 45.25 C ATOM 0 H ILE A 37 21.087 6.310 9.298 1.00 14.52 H new ATOM 0 HA ILE A 37 20.091 7.187 6.665 1.00 62.40 H new ATOM 0 HB ILE A 37 17.947 6.744 7.351 1.00 63.45 H new ATOM 0 HG12 ILE A 37 18.097 8.426 9.197 1.00 71.24 H new ATOM 0 HG13 ILE A 37 17.067 7.053 9.555 1.00 71.24 H new ATOM 0 HG21 ILE A 37 17.840 4.723 8.755 1.00 5.22 H new ATOM 0 HG22 ILE A 37 19.157 4.625 7.562 1.00 5.22 H new ATOM 0 HG23 ILE A 37 19.523 4.991 9.265 1.00 5.22 H new ATOM 0 HD11 ILE A 37 18.442 7.644 11.489 1.00 45.25 H new ATOM 0 HD12 ILE A 37 18.875 6.026 10.886 1.00 45.25 H new ATOM 0 HD13 ILE A 37 19.920 7.420 10.523 1.00 45.25 H new ATOM 552 N SER A 38 19.532 9.576 7.387 1.00 30.41 N ATOM 553 CA SER A 38 19.526 10.998 7.707 1.00 11.20 C ATOM 554 C SER A 38 18.909 11.808 6.571 1.00 72.13 C ATOM 555 O SER A 38 18.696 11.296 5.473 1.00 63.34 O ATOM 556 CB SER A 38 20.949 11.487 7.982 1.00 64.20 C ATOM 557 OG SER A 38 21.302 12.547 7.111 1.00 52.43 O ATOM 0 H SER A 38 19.097 9.343 6.494 1.00 30.41 H new ATOM 0 HA SER A 38 18.921 11.141 8.602 1.00 11.20 H new ATOM 0 HB2 SER A 38 21.028 11.821 9.017 1.00 64.20 H new ATOM 0 HB3 SER A 38 21.650 10.662 7.858 1.00 64.20 H new ATOM 0 HG SER A 38 22.215 12.842 7.308 1.00 52.43 H new ATOM 563 N GLY A 39 18.623 13.077 6.844 1.00 11.42 N ATOM 564 CA GLY A 39 18.033 13.939 5.836 1.00 32.32 C ATOM 565 C GLY A 39 17.386 15.172 6.434 1.00 14.02 C ATOM 566 O GLY A 39 17.237 16.191 5.762 1.00 53.42 O ATOM 0 H GLY A 39 18.789 13.524 7.746 1.00 11.42 H new ATOM 0 HA2 GLY A 39 18.803 14.244 5.127 1.00 32.32 H new ATOM 0 HA3 GLY A 39 17.287 13.377 5.274 1.00 32.32 H new ATOM 570 N GLY A 40 16.998 15.079 7.703 1.00 51.23 N ATOM 571 CA GLY A 40 16.366 16.203 8.369 1.00 32.33 C ATOM 572 C GLY A 40 16.729 16.284 9.839 1.00 41.34 C ATOM 573 O GLY A 40 17.902 16.415 10.189 1.00 50.23 O ATOM 0 H GLY A 40 17.110 14.246 8.281 1.00 51.23 H new ATOM 0 HA2 GLY A 40 16.661 17.128 7.873 1.00 32.33 H new ATOM 0 HA3 GLY A 40 15.284 16.119 8.269 1.00 32.33 H new ATOM 577 N SER A 41 15.721 16.208 10.701 1.00 14.51 N ATOM 578 CA SER A 41 15.939 16.280 12.141 1.00 2.21 C ATOM 579 C SER A 41 15.461 15.004 12.827 1.00 15.54 C ATOM 580 O SER A 41 14.692 14.231 12.258 1.00 30.31 O ATOM 581 CB SER A 41 15.214 17.492 12.729 1.00 54.13 C ATOM 582 OG SER A 41 15.616 18.689 12.085 1.00 22.15 O ATOM 0 H SER A 41 14.745 16.097 10.427 1.00 14.51 H new ATOM 0 HA SER A 41 17.009 16.387 12.316 1.00 2.21 H new ATOM 0 HB2 SER A 41 14.137 17.362 12.623 1.00 54.13 H new ATOM 0 HB3 SER A 41 15.423 17.562 13.797 1.00 54.13 H new ATOM 0 HG SER A 41 15.198 19.456 12.530 1.00 22.15 H new ATOM 588 N GLY A 42 15.922 14.792 14.056 1.00 12.13 N ATOM 589 CA GLY A 42 15.531 13.610 14.801 1.00 21.52 C ATOM 590 C GLY A 42 14.029 13.405 14.818 1.00 63.42 C ATOM 591 O GLY A 42 13.310 14.090 15.545 1.00 44.31 O ATOM 0 H GLY A 42 16.559 15.418 14.549 1.00 12.13 H new ATOM 0 HA2 GLY A 42 16.009 12.734 14.363 1.00 21.52 H new ATOM 0 HA3 GLY A 42 15.895 13.693 15.825 1.00 21.52 H new ATOM 595 N ASP A 43 13.554 12.460 14.014 1.00 51.24 N ATOM 596 CA ASP A 43 12.127 12.167 13.938 1.00 43.20 C ATOM 597 C ASP A 43 11.891 10.726 13.498 1.00 61.13 C ATOM 598 O ASP A 43 11.007 10.045 14.016 1.00 54.31 O ATOM 599 CB ASP A 43 11.438 13.129 12.969 1.00 41.12 C ATOM 600 CG ASP A 43 10.096 13.608 13.485 1.00 34.02 C ATOM 601 OD1 ASP A 43 9.186 12.767 13.645 1.00 63.55 O ATOM 602 OD2 ASP A 43 9.954 14.824 13.731 1.00 63.02 O ATOM 0 H ASP A 43 14.136 11.884 13.406 1.00 51.24 H new ATOM 0 HA ASP A 43 11.701 12.298 14.932 1.00 43.20 H new ATOM 0 HB2 ASP A 43 12.085 13.989 12.794 1.00 41.12 H new ATOM 0 HB3 ASP A 43 11.299 12.634 12.008 1.00 41.12 H new ATOM 607 N ALA A 44 12.688 10.268 12.537 1.00 34.25 N ATOM 608 CA ALA A 44 12.566 8.908 12.028 1.00 31.52 C ATOM 609 C ALA A 44 13.512 7.961 12.759 1.00 31.12 C ATOM 610 O ALA A 44 14.732 8.116 12.696 1.00 74.31 O ATOM 611 CB ALA A 44 12.839 8.878 10.532 1.00 72.14 C ATOM 0 H ALA A 44 13.424 10.819 12.096 1.00 34.25 H new ATOM 0 HA ALA A 44 11.545 8.570 12.207 1.00 31.52 H new ATOM 0 HB1 ALA A 44 12.744 7.856 10.165 1.00 72.14 H new ATOM 0 HB2 ALA A 44 12.120 9.516 10.018 1.00 72.14 H new ATOM 0 HB3 ALA A 44 13.849 9.241 10.339 1.00 72.14 H new ATOM 617 N ASP A 45 12.942 6.982 13.453 1.00 70.32 N ATOM 618 CA ASP A 45 13.735 6.009 14.196 1.00 10.40 C ATOM 619 C ASP A 45 14.175 4.862 13.292 1.00 51.11 C ATOM 620 O ASP A 45 13.633 4.674 12.202 1.00 60.41 O ATOM 621 CB ASP A 45 12.934 5.464 15.380 1.00 42.24 C ATOM 622 CG ASP A 45 13.824 4.998 16.515 1.00 20.00 C ATOM 623 OD1 ASP A 45 15.061 5.005 16.341 1.00 11.34 O ATOM 624 OD2 ASP A 45 13.284 4.627 17.578 1.00 73.44 O ATOM 0 H ASP A 45 11.934 6.841 13.517 1.00 70.32 H new ATOM 0 HA ASP A 45 14.625 6.513 14.571 1.00 10.40 H new ATOM 0 HB2 ASP A 45 12.259 6.238 15.746 1.00 42.24 H new ATOM 0 HB3 ASP A 45 12.314 4.633 15.044 1.00 42.24 H new ATOM 629 N LEU A 46 15.161 4.099 13.751 1.00 73.04 N ATOM 630 CA LEU A 46 15.675 2.970 12.983 1.00 51.00 C ATOM 631 C LEU A 46 15.515 1.666 13.758 1.00 10.34 C ATOM 632 O LEU A 46 15.938 1.561 14.910 1.00 51.20 O ATOM 633 CB LEU A 46 17.148 3.193 12.636 1.00 71.34 C ATOM 634 CG LEU A 46 17.860 2.026 11.950 1.00 74.01 C ATOM 635 CD1 LEU A 46 18.860 2.539 10.926 1.00 62.32 C ATOM 636 CD2 LEU A 46 18.551 1.144 12.979 1.00 5.11 C ATOM 0 H LEU A 46 15.620 4.241 14.651 1.00 73.04 H new ATOM 0 HA LEU A 46 15.098 2.896 12.061 1.00 51.00 H new ATOM 0 HB2 LEU A 46 17.220 4.067 11.989 1.00 71.34 H new ATOM 0 HB3 LEU A 46 17.685 3.431 13.554 1.00 71.34 H new ATOM 0 HG LEU A 46 17.114 1.425 11.429 1.00 74.01 H new ATOM 0 HD11 LEU A 46 19.357 1.695 10.448 1.00 62.32 H new ATOM 0 HD12 LEU A 46 18.338 3.128 10.171 1.00 62.32 H new ATOM 0 HD13 LEU A 46 19.603 3.163 11.423 1.00 62.32 H new ATOM 0 HD21 LEU A 46 19.052 0.319 12.473 1.00 5.11 H new ATOM 0 HD22 LEU A 46 19.286 1.733 13.528 1.00 5.11 H new ATOM 0 HD23 LEU A 46 17.811 0.747 13.674 1.00 5.11 H new ATOM 648 N TYR A 47 14.904 0.675 13.119 1.00 1.11 N ATOM 649 CA TYR A 47 14.688 -0.622 13.749 1.00 62.22 C ATOM 650 C TYR A 47 14.981 -1.757 12.772 1.00 22.23 C ATOM 651 O TYR A 47 14.867 -1.592 11.557 1.00 3.20 O ATOM 652 CB TYR A 47 13.250 -0.732 14.259 1.00 4.00 C ATOM 653 CG TYR A 47 12.961 0.154 15.449 1.00 10.24 C ATOM 654 CD1 TYR A 47 13.874 0.273 16.490 1.00 44.32 C ATOM 655 CD2 TYR A 47 11.774 0.871 15.534 1.00 2.55 C ATOM 656 CE1 TYR A 47 13.614 1.081 17.580 1.00 41.22 C ATOM 657 CE2 TYR A 47 11.506 1.683 16.620 1.00 62.11 C ATOM 658 CZ TYR A 47 12.429 1.784 17.640 1.00 40.30 C ATOM 659 OH TYR A 47 12.165 2.590 18.724 1.00 41.44 O ATOM 0 H TYR A 47 14.549 0.745 12.165 1.00 1.11 H new ATOM 0 HA TYR A 47 15.373 -0.706 14.593 1.00 62.22 H new ATOM 0 HB2 TYR A 47 12.566 -0.475 13.450 1.00 4.00 H new ATOM 0 HB3 TYR A 47 13.048 -1.768 14.530 1.00 4.00 H new ATOM 0 HD1 TYR A 47 14.803 -0.276 16.446 1.00 44.32 H new ATOM 0 HD2 TYR A 47 11.048 0.793 14.738 1.00 2.55 H new ATOM 0 HE1 TYR A 47 14.335 1.162 18.380 1.00 41.22 H new ATOM 0 HE2 TYR A 47 10.579 2.235 16.670 1.00 62.11 H new ATOM 0 HH TYR A 47 12.174 3.529 18.443 1.00 41.44 H new ATOM 669 N LEU A 48 15.359 -2.911 13.313 1.00 52.45 N ATOM 670 CA LEU A 48 15.668 -4.075 12.491 1.00 61.54 C ATOM 671 C LEU A 48 15.455 -5.367 13.274 1.00 54.21 C ATOM 672 O LEU A 48 15.777 -5.448 14.459 1.00 3.53 O ATOM 673 CB LEU A 48 17.112 -4.002 11.990 1.00 74.12 C ATOM 674 CG LEU A 48 17.368 -4.571 10.594 1.00 75.31 C ATOM 675 CD1 LEU A 48 18.756 -4.187 10.107 1.00 1.10 C ATOM 676 CD2 LEU A 48 17.201 -6.084 10.596 1.00 52.11 C ATOM 0 H LEU A 48 15.459 -3.065 14.316 1.00 52.45 H new ATOM 0 HA LEU A 48 14.992 -4.074 11.636 1.00 61.54 H new ATOM 0 HB2 LEU A 48 17.426 -2.958 11.998 1.00 74.12 H new ATOM 0 HB3 LEU A 48 17.749 -4.532 12.699 1.00 74.12 H new ATOM 0 HG LEU A 48 16.635 -4.145 9.909 1.00 75.31 H new ATOM 0 HD11 LEU A 48 18.920 -4.601 9.112 1.00 1.10 H new ATOM 0 HD12 LEU A 48 18.840 -3.101 10.067 1.00 1.10 H new ATOM 0 HD13 LEU A 48 19.505 -4.583 10.793 1.00 1.10 H new ATOM 0 HD21 LEU A 48 17.387 -6.472 9.594 1.00 52.11 H new ATOM 0 HD22 LEU A 48 17.911 -6.527 11.294 1.00 52.11 H new ATOM 0 HD23 LEU A 48 16.186 -6.338 10.901 1.00 52.11 H new ATOM 688 N LYS A 49 14.910 -6.376 12.603 1.00 24.41 N ATOM 689 CA LYS A 49 14.657 -7.666 13.234 1.00 75.21 C ATOM 690 C LYS A 49 14.793 -8.802 12.225 1.00 41.23 C ATOM 691 O LYS A 49 14.392 -8.669 11.069 1.00 42.01 O ATOM 692 CB LYS A 49 13.258 -7.687 13.855 1.00 71.02 C ATOM 693 CG LYS A 49 13.236 -8.187 15.289 1.00 63.53 C ATOM 694 CD LYS A 49 11.908 -8.842 15.631 1.00 3.30 C ATOM 695 CE LYS A 49 12.008 -9.676 16.899 1.00 64.23 C ATOM 696 NZ LYS A 49 12.391 -11.085 16.606 1.00 24.34 N ATOM 0 H LYS A 49 14.635 -6.325 11.622 1.00 24.41 H new ATOM 0 HA LYS A 49 15.399 -7.810 14.019 1.00 75.21 H new ATOM 0 HB2 LYS A 49 12.841 -6.681 13.824 1.00 71.02 H new ATOM 0 HB3 LYS A 49 12.610 -8.320 13.249 1.00 71.02 H new ATOM 0 HG2 LYS A 49 14.045 -8.902 15.438 1.00 63.53 H new ATOM 0 HG3 LYS A 49 13.418 -7.354 15.968 1.00 63.53 H new ATOM 0 HD2 LYS A 49 11.145 -8.074 15.758 1.00 3.30 H new ATOM 0 HD3 LYS A 49 11.589 -9.474 14.803 1.00 3.30 H new ATOM 0 HE2 LYS A 49 12.744 -9.231 17.569 1.00 64.23 H new ATOM 0 HE3 LYS A 49 11.051 -9.660 17.421 1.00 64.23 H new ATOM 0 HZ1 LYS A 49 12.449 -11.621 17.495 1.00 24.34 H new ATOM 0 HZ2 LYS A 49 11.676 -11.517 15.987 1.00 24.34 H new ATOM 0 HZ3 LYS A 49 13.316 -11.102 16.131 1.00 24.34 H new ATOM 710 N ALA A 50 15.360 -9.918 12.670 1.00 23.10 N ATOM 711 CA ALA A 50 15.546 -11.078 11.807 1.00 41.35 C ATOM 712 C ALA A 50 14.323 -11.988 11.839 1.00 1.11 C ATOM 713 O ALA A 50 13.869 -12.396 12.907 1.00 12.52 O ATOM 714 CB ALA A 50 16.791 -11.849 12.219 1.00 44.42 C ATOM 0 H ALA A 50 15.699 -10.044 13.624 1.00 23.10 H new ATOM 0 HA ALA A 50 15.675 -10.722 10.785 1.00 41.35 H new ATOM 0 HB1 ALA A 50 16.917 -12.712 11.566 1.00 44.42 H new ATOM 0 HB2 ALA A 50 17.664 -11.201 12.137 1.00 44.42 H new ATOM 0 HB3 ALA A 50 16.685 -12.186 13.250 1.00 44.42 H new ATOM 720 N GLY A 51 13.794 -12.303 10.661 1.00 54.33 N ATOM 721 CA GLY A 51 12.627 -13.162 10.577 1.00 22.03 C ATOM 722 C GLY A 51 11.341 -12.379 10.401 1.00 3.24 C ATOM 723 O GLY A 51 10.641 -12.539 9.402 1.00 50.42 O ATOM 0 H GLY A 51 14.153 -11.979 9.763 1.00 54.33 H new ATOM 0 HA2 GLY A 51 12.746 -13.851 9.741 1.00 22.03 H new ATOM 0 HA3 GLY A 51 12.559 -13.767 11.481 1.00 22.03 H new ATOM 727 N SER A 52 11.029 -11.531 11.376 1.00 12.21 N ATOM 728 CA SER A 52 9.815 -10.724 11.327 1.00 3.31 C ATOM 729 C SER A 52 10.145 -9.239 11.449 1.00 31.12 C ATOM 730 O SER A 52 11.312 -8.847 11.442 1.00 61.22 O ATOM 731 CB SER A 52 8.856 -11.138 12.445 1.00 63.43 C ATOM 732 OG SER A 52 8.945 -12.529 12.703 1.00 54.03 O ATOM 0 H SER A 52 11.600 -11.385 12.209 1.00 12.21 H new ATOM 0 HA SER A 52 9.334 -10.894 10.364 1.00 3.31 H new ATOM 0 HB2 SER A 52 9.088 -10.581 13.353 1.00 63.43 H new ATOM 0 HB3 SER A 52 7.834 -10.881 12.166 1.00 63.43 H new ATOM 0 HG SER A 52 8.324 -12.769 13.422 1.00 54.03 H new ATOM 738 N LYS A 53 9.108 -8.417 11.561 1.00 15.54 N ATOM 739 CA LYS A 53 9.284 -6.975 11.686 1.00 12.45 C ATOM 740 C LYS A 53 9.373 -6.562 13.152 1.00 20.44 C ATOM 741 O LYS A 53 8.585 -6.996 13.993 1.00 12.10 O ATOM 742 CB LYS A 53 8.127 -6.238 11.008 1.00 13.21 C ATOM 743 CG LYS A 53 6.843 -6.242 11.820 1.00 22.43 C ATOM 744 CD LYS A 53 6.730 -5.003 12.692 1.00 43.33 C ATOM 745 CE LYS A 53 5.947 -3.901 11.995 1.00 41.15 C ATOM 746 NZ LYS A 53 4.509 -3.914 12.380 1.00 53.12 N ATOM 0 H LYS A 53 8.136 -8.725 11.568 1.00 15.54 H new ATOM 0 HA LYS A 53 10.218 -6.705 11.193 1.00 12.45 H new ATOM 0 HB2 LYS A 53 8.425 -5.206 10.820 1.00 13.21 H new ATOM 0 HB3 LYS A 53 7.935 -6.696 10.038 1.00 13.21 H new ATOM 0 HG2 LYS A 53 5.987 -6.294 11.148 1.00 22.43 H new ATOM 0 HG3 LYS A 53 6.811 -7.133 12.447 1.00 22.43 H new ATOM 0 HD2 LYS A 53 6.240 -5.261 13.631 1.00 43.33 H new ATOM 0 HD3 LYS A 53 7.727 -4.640 12.942 1.00 43.33 H new ATOM 0 HE2 LYS A 53 6.381 -2.933 12.245 1.00 41.15 H new ATOM 0 HE3 LYS A 53 6.035 -4.020 10.915 1.00 41.15 H new ATOM 0 HZ1 LYS A 53 4.010 -3.148 11.884 1.00 53.12 H new ATOM 0 HZ2 LYS A 53 4.088 -4.828 12.118 1.00 53.12 H new ATOM 0 HZ3 LYS A 53 4.423 -3.775 13.407 1.00 53.12 H new ATOM 760 N PRO A 54 10.354 -5.704 13.468 1.00 23.21 N ATOM 761 CA PRO A 54 10.568 -5.213 14.833 1.00 70.33 C ATOM 762 C PRO A 54 9.461 -4.269 15.289 1.00 44.51 C ATOM 763 O PRO A 54 8.942 -3.477 14.501 1.00 32.21 O ATOM 764 CB PRO A 54 11.902 -4.468 14.737 1.00 74.12 C ATOM 765 CG PRO A 54 12.006 -4.060 13.308 1.00 72.33 C ATOM 766 CD PRO A 54 11.330 -5.146 12.517 1.00 63.40 C ATOM 0 HA PRO A 54 10.569 -6.023 15.563 1.00 70.33 H new ATOM 0 HB2 PRO A 54 11.920 -3.602 15.398 1.00 74.12 H new ATOM 0 HB3 PRO A 54 12.735 -5.108 15.028 1.00 74.12 H new ATOM 0 HG2 PRO A 54 11.523 -3.097 13.141 1.00 72.33 H new ATOM 0 HG3 PRO A 54 13.048 -3.950 13.008 1.00 72.33 H new ATOM 0 HD2 PRO A 54 10.842 -4.750 11.626 1.00 63.40 H new ATOM 0 HD3 PRO A 54 12.041 -5.901 12.182 1.00 63.40 H new ATOM 774 N THR A 55 9.104 -4.355 16.567 1.00 65.54 N ATOM 775 CA THR A 55 8.059 -3.509 17.127 1.00 1.15 C ATOM 776 C THR A 55 8.653 -2.396 17.983 1.00 30.13 C ATOM 777 O THR A 55 9.870 -2.309 18.151 1.00 31.45 O ATOM 778 CB THR A 55 7.072 -4.327 17.982 1.00 51.34 C ATOM 779 OG1 THR A 55 7.551 -4.422 19.327 1.00 23.45 O ATOM 780 CG2 THR A 55 6.884 -5.722 17.404 1.00 13.45 C ATOM 0 H THR A 55 9.524 -5.003 17.233 1.00 65.54 H new ATOM 0 HA THR A 55 7.523 -3.070 16.286 1.00 1.15 H new ATOM 0 HB THR A 55 6.109 -3.816 17.976 1.00 51.34 H new ATOM 0 HG1 THR A 55 6.917 -4.942 19.864 1.00 23.45 H new ATOM 0 HG21 THR A 55 6.183 -6.281 18.024 1.00 13.45 H new ATOM 0 HG22 THR A 55 6.491 -5.646 16.390 1.00 13.45 H new ATOM 0 HG23 THR A 55 7.843 -6.240 17.383 1.00 13.45 H new ATOM 788 N THR A 56 7.786 -1.545 18.524 1.00 24.12 N ATOM 789 CA THR A 56 8.225 -0.437 19.363 1.00 44.12 C ATOM 790 C THR A 56 8.894 -0.942 20.636 1.00 31.31 C ATOM 791 O THR A 56 9.571 -0.188 21.334 1.00 24.02 O ATOM 792 CB THR A 56 7.048 0.480 19.744 1.00 52.01 C ATOM 793 OG1 THR A 56 5.933 -0.308 20.176 1.00 70.25 O ATOM 794 CG2 THR A 56 6.635 1.349 18.565 1.00 21.23 C ATOM 0 H THR A 56 6.776 -1.602 18.396 1.00 24.12 H new ATOM 0 HA THR A 56 8.947 0.134 18.779 1.00 44.12 H new ATOM 0 HB THR A 56 7.371 1.129 20.558 1.00 52.01 H new ATOM 0 HG1 THR A 56 5.189 0.283 20.418 1.00 70.25 H new ATOM 0 HG21 THR A 56 5.802 1.988 18.858 1.00 21.23 H new ATOM 0 HG22 THR A 56 7.477 1.969 18.257 1.00 21.23 H new ATOM 0 HG23 THR A 56 6.330 0.713 17.734 1.00 21.23 H new ATOM 802 N SER A 57 8.700 -2.223 20.933 1.00 74.33 N ATOM 803 CA SER A 57 9.282 -2.829 22.125 1.00 53.23 C ATOM 804 C SER A 57 10.212 -3.979 21.751 1.00 75.12 C ATOM 805 O SER A 57 11.138 -4.309 22.491 1.00 0.33 O ATOM 806 CB SER A 57 8.178 -3.332 23.057 1.00 24.34 C ATOM 807 OG SER A 57 7.511 -2.253 23.687 1.00 55.42 O ATOM 0 H SER A 57 8.144 -2.862 20.364 1.00 74.33 H new ATOM 0 HA SER A 57 9.865 -2.067 22.642 1.00 53.23 H new ATOM 0 HB2 SER A 57 7.461 -3.925 22.489 1.00 24.34 H new ATOM 0 HB3 SER A 57 8.608 -3.989 23.813 1.00 24.34 H new ATOM 0 HG SER A 57 6.809 -2.601 24.276 1.00 55.42 H new ATOM 813 N SER A 58 9.957 -4.586 20.596 1.00 33.32 N ATOM 814 CA SER A 58 10.768 -5.703 20.124 1.00 13.44 C ATOM 815 C SER A 58 11.747 -5.246 19.047 1.00 0.45 C ATOM 816 O SER A 58 11.352 -4.644 18.049 1.00 72.11 O ATOM 817 CB SER A 58 9.872 -6.815 19.576 1.00 20.32 C ATOM 818 OG SER A 58 10.077 -8.028 20.279 1.00 24.34 O ATOM 0 H SER A 58 9.196 -4.323 19.970 1.00 33.32 H new ATOM 0 HA SER A 58 11.338 -6.089 20.969 1.00 13.44 H new ATOM 0 HB2 SER A 58 8.827 -6.517 19.656 1.00 20.32 H new ATOM 0 HB3 SER A 58 10.080 -6.965 18.517 1.00 20.32 H new ATOM 0 HG SER A 58 9.492 -8.722 19.911 1.00 24.34 H new ATOM 824 N TRP A 59 13.026 -5.536 19.259 1.00 53.34 N ATOM 825 CA TRP A 59 14.063 -5.155 18.306 1.00 12.24 C ATOM 826 C TRP A 59 15.231 -6.133 18.354 1.00 61.44 C ATOM 827 O TRP A 59 15.472 -6.777 19.375 1.00 64.42 O ATOM 828 CB TRP A 59 14.557 -3.737 18.599 1.00 72.10 C ATOM 829 CG TRP A 59 14.164 -3.240 19.957 1.00 2.32 C ATOM 830 CD1 TRP A 59 12.990 -2.631 20.299 1.00 24.24 C ATOM 831 CD2 TRP A 59 14.947 -3.307 21.154 1.00 44.02 C ATOM 832 NE1 TRP A 59 12.997 -2.316 21.637 1.00 72.01 N ATOM 833 CE2 TRP A 59 14.186 -2.721 22.184 1.00 54.13 C ATOM 834 CE3 TRP A 59 16.217 -3.807 21.456 1.00 12.11 C ATOM 835 CZ2 TRP A 59 14.654 -2.621 23.491 1.00 31.41 C ATOM 836 CZ3 TRP A 59 16.680 -3.707 22.754 1.00 22.11 C ATOM 837 CH2 TRP A 59 15.900 -3.119 23.759 1.00 43.02 C ATOM 0 H TRP A 59 13.370 -6.033 20.081 1.00 53.34 H new ATOM 0 HA TRP A 59 13.631 -5.182 17.306 1.00 12.24 H new ATOM 0 HB2 TRP A 59 15.643 -3.713 18.512 1.00 72.10 H new ATOM 0 HB3 TRP A 59 14.161 -3.059 17.843 1.00 72.10 H new ATOM 0 HD1 TRP A 59 12.176 -2.427 19.619 1.00 24.24 H new ATOM 0 HE1 TRP A 59 12.239 -1.855 22.141 1.00 72.01 H new ATOM 0 HE3 TRP A 59 16.825 -4.263 20.689 1.00 12.11 H new ATOM 0 HZ2 TRP A 59 14.055 -2.166 24.266 1.00 31.41 H new ATOM 0 HZ3 TRP A 59 17.660 -4.089 22.998 1.00 22.11 H new ATOM 0 HH2 TRP A 59 16.290 -3.058 24.764 1.00 43.02 H new ATOM 848 N ASP A 60 15.953 -6.240 17.244 1.00 70.14 N ATOM 849 CA ASP A 60 17.098 -7.140 17.159 1.00 15.14 C ATOM 850 C ASP A 60 18.390 -6.357 16.949 1.00 31.13 C ATOM 851 O ASP A 60 19.448 -6.742 17.448 1.00 64.14 O ATOM 852 CB ASP A 60 16.903 -8.142 16.021 1.00 72.05 C ATOM 853 CG ASP A 60 17.815 -9.346 16.146 1.00 25.04 C ATOM 854 OD1 ASP A 60 18.384 -9.548 17.240 1.00 63.11 O ATOM 855 OD2 ASP A 60 17.960 -10.087 15.152 1.00 43.32 O ATOM 0 H ASP A 60 15.766 -5.715 16.390 1.00 70.14 H new ATOM 0 HA ASP A 60 17.173 -7.683 18.101 1.00 15.14 H new ATOM 0 HB2 ASP A 60 15.865 -8.476 16.009 1.00 72.05 H new ATOM 0 HB3 ASP A 60 17.090 -7.646 15.068 1.00 72.05 H new ATOM 860 N CYS A 61 18.296 -5.258 16.209 1.00 61.54 N ATOM 861 CA CYS A 61 19.458 -4.422 15.931 1.00 65.22 C ATOM 862 C CYS A 61 19.065 -2.950 15.863 1.00 63.11 C ATOM 863 O CYS A 61 18.186 -2.567 15.091 1.00 34.24 O ATOM 864 CB CYS A 61 20.117 -4.848 14.618 1.00 52.24 C ATOM 865 SG CYS A 61 20.644 -6.577 14.583 1.00 43.01 S ATOM 0 H CYS A 61 17.427 -4.925 15.791 1.00 61.54 H new ATOM 0 HA CYS A 61 20.171 -4.552 16.745 1.00 65.22 H new ATOM 0 HB2 CYS A 61 19.417 -4.676 13.800 1.00 52.24 H new ATOM 0 HB3 CYS A 61 20.983 -4.212 14.435 1.00 52.24 H new ATOM 0 HG CYS A 61 20.463 -7.109 15.755 1.00 43.01 H new ATOM 871 N ARG A 62 19.722 -2.130 16.676 1.00 11.54 N ATOM 872 CA ARG A 62 19.439 -0.700 16.711 1.00 50.22 C ATOM 873 C ARG A 62 20.410 0.025 17.638 1.00 24.42 C ATOM 874 O ARG A 62 20.906 -0.534 18.617 1.00 13.13 O ATOM 875 CB ARG A 62 18.000 -0.454 17.169 1.00 3.20 C ATOM 876 CG ARG A 62 17.817 -0.545 18.675 1.00 33.50 C ATOM 877 CD ARG A 62 16.540 -1.288 19.036 1.00 31.24 C ATOM 878 NE ARG A 62 15.723 -0.541 19.989 1.00 23.44 N ATOM 879 CZ ARG A 62 16.079 -0.325 21.251 1.00 71.31 C ATOM 880 NH1 ARG A 62 17.231 -0.796 21.709 1.00 74.45 N ATOM 881 NH2 ARG A 62 15.282 0.364 22.057 1.00 32.25 N ATOM 0 H ARG A 62 20.454 -2.431 17.319 1.00 11.54 H new ATOM 0 HA ARG A 62 19.565 -0.306 15.702 1.00 50.22 H new ATOM 0 HB2 ARG A 62 17.684 0.533 16.832 1.00 3.20 H new ATOM 0 HB3 ARG A 62 17.345 -1.180 16.687 1.00 3.20 H new ATOM 0 HG2 ARG A 62 18.673 -1.055 19.117 1.00 33.50 H new ATOM 0 HG3 ARG A 62 17.789 0.458 19.101 1.00 33.50 H new ATOM 0 HD2 ARG A 62 15.962 -1.475 18.131 1.00 31.24 H new ATOM 0 HD3 ARG A 62 16.793 -2.260 19.459 1.00 31.24 H new ATOM 0 HE ARG A 62 14.831 -0.165 19.668 1.00 23.44 H new ATOM 0 HH11 ARG A 62 17.847 -1.326 21.092 1.00 74.45 H new ATOM 0 HH12 ARG A 62 17.501 -0.628 22.678 1.00 74.45 H new ATOM 0 HH21 ARG A 62 14.395 0.728 21.708 1.00 32.25 H new ATOM 0 HH22 ARG A 62 15.556 0.529 23.026 1.00 32.25 H new ATOM 895 N PRO A 63 20.691 1.298 17.324 1.00 13.10 N ATOM 896 CA PRO A 63 21.605 2.126 18.116 1.00 14.24 C ATOM 897 C PRO A 63 21.025 2.487 19.480 1.00 41.32 C ATOM 898 O PRO A 63 21.702 3.090 20.313 1.00 23.32 O ATOM 899 CB PRO A 63 21.778 3.383 17.259 1.00 22.54 C ATOM 900 CG PRO A 63 20.540 3.452 16.434 1.00 12.43 C ATOM 901 CD PRO A 63 20.137 2.028 16.171 1.00 35.13 C ATOM 0 HA PRO A 63 22.540 1.609 18.332 1.00 14.24 H new ATOM 0 HB2 PRO A 63 21.891 4.272 17.879 1.00 22.54 H new ATOM 0 HB3 PRO A 63 22.668 3.316 16.633 1.00 22.54 H new ATOM 0 HG2 PRO A 63 19.751 3.990 16.959 1.00 12.43 H new ATOM 0 HG3 PRO A 63 20.722 3.985 15.501 1.00 12.43 H new ATOM 0 HD2 PRO A 63 19.054 1.922 16.111 1.00 35.13 H new ATOM 0 HD3 PRO A 63 20.546 1.662 15.229 1.00 35.13 H new ATOM 909 N TYR A 64 19.769 2.115 19.701 1.00 42.31 N ATOM 910 CA TYR A 64 19.098 2.402 20.963 1.00 21.02 C ATOM 911 C TYR A 64 18.826 3.896 21.108 1.00 1.15 C ATOM 912 O TYR A 64 19.419 4.567 21.954 1.00 72.04 O ATOM 913 CB TYR A 64 19.945 1.910 22.138 1.00 35.33 C ATOM 914 CG TYR A 64 19.127 1.476 23.334 1.00 73.54 C ATOM 915 CD1 TYR A 64 18.021 2.208 23.747 1.00 74.34 C ATOM 916 CD2 TYR A 64 19.460 0.332 24.050 1.00 50.15 C ATOM 917 CE1 TYR A 64 17.271 1.815 24.839 1.00 42.04 C ATOM 918 CE2 TYR A 64 18.715 -0.069 25.142 1.00 44.11 C ATOM 919 CZ TYR A 64 17.622 0.676 25.533 1.00 44.02 C ATOM 920 OH TYR A 64 16.878 0.281 26.620 1.00 34.33 O ATOM 0 H TYR A 64 19.195 1.614 19.023 1.00 42.31 H new ATOM 0 HA TYR A 64 18.144 1.876 20.966 1.00 21.02 H new ATOM 0 HB2 TYR A 64 20.560 1.074 21.806 1.00 35.33 H new ATOM 0 HB3 TYR A 64 20.625 2.705 22.443 1.00 35.33 H new ATOM 0 HD1 TYR A 64 17.742 3.100 23.205 1.00 74.34 H new ATOM 0 HD2 TYR A 64 20.316 -0.253 23.747 1.00 50.15 H new ATOM 0 HE1 TYR A 64 16.415 2.397 25.147 1.00 42.04 H new ATOM 0 HE2 TYR A 64 18.987 -0.961 25.687 1.00 44.11 H new ATOM 0 HH TYR A 64 17.258 -0.541 26.995 1.00 34.33 H new ATOM 930 N ARG A 65 17.925 4.410 20.278 1.00 12.31 N ATOM 931 CA ARG A 65 17.573 5.825 20.313 1.00 64.24 C ATOM 932 C ARG A 65 16.399 6.116 19.383 1.00 11.10 C ATOM 933 O ARG A 65 15.804 5.201 18.812 1.00 45.51 O ATOM 934 CB ARG A 65 18.777 6.681 19.915 1.00 61.04 C ATOM 935 CG ARG A 65 19.310 7.546 21.045 1.00 14.21 C ATOM 936 CD ARG A 65 20.636 8.192 20.675 1.00 13.03 C ATOM 937 NE ARG A 65 20.451 9.485 20.021 1.00 63.41 N ATOM 938 CZ ARG A 65 20.105 10.593 20.667 1.00 62.52 C ATOM 939 NH1 ARG A 65 19.907 10.565 21.978 1.00 44.45 N ATOM 940 NH2 ARG A 65 19.957 11.731 20.001 1.00 33.14 N ATOM 0 H ARG A 65 17.425 3.868 19.573 1.00 12.31 H new ATOM 0 HA ARG A 65 17.278 6.076 21.332 1.00 64.24 H new ATOM 0 HB2 ARG A 65 19.575 6.028 19.561 1.00 61.04 H new ATOM 0 HB3 ARG A 65 18.496 7.322 19.080 1.00 61.04 H new ATOM 0 HG2 ARG A 65 18.582 8.320 21.286 1.00 14.21 H new ATOM 0 HG3 ARG A 65 19.438 6.938 21.941 1.00 14.21 H new ATOM 0 HD2 ARG A 65 21.239 8.323 21.574 1.00 13.03 H new ATOM 0 HD3 ARG A 65 21.191 7.527 20.013 1.00 13.03 H new ATOM 0 HE ARG A 65 20.595 9.540 19.013 1.00 63.41 H new ATOM 0 HH11 ARG A 65 20.020 9.692 22.492 1.00 44.45 H new ATOM 0 HH12 ARG A 65 19.641 11.417 22.472 1.00 44.45 H new ATOM 0 HH21 ARG A 65 20.109 11.755 18.993 1.00 33.14 H new ATOM 0 HH22 ARG A 65 19.691 12.582 20.497 1.00 33.14 H new ATOM 954 N TYR A 66 16.070 7.395 19.237 1.00 70.31 N ATOM 955 CA TYR A 66 14.965 7.806 18.379 1.00 11.44 C ATOM 956 C TYR A 66 15.359 9.003 17.519 1.00 25.01 C ATOM 957 O TYR A 66 16.003 9.938 17.994 1.00 52.14 O ATOM 958 CB TYR A 66 13.738 8.154 19.224 1.00 22.04 C ATOM 959 CG TYR A 66 13.018 6.943 19.774 1.00 44.14 C ATOM 960 CD1 TYR A 66 13.580 6.176 20.787 1.00 44.24 C ATOM 961 CD2 TYR A 66 11.775 6.566 19.280 1.00 43.42 C ATOM 962 CE1 TYR A 66 12.927 5.069 21.291 1.00 74.33 C ATOM 963 CE2 TYR A 66 11.113 5.461 19.779 1.00 44.31 C ATOM 964 CZ TYR A 66 11.693 4.715 20.784 1.00 43.41 C ATOM 965 OH TYR A 66 11.038 3.614 21.284 1.00 21.33 O ATOM 0 H TYR A 66 16.552 8.164 19.701 1.00 70.31 H new ATOM 0 HA TYR A 66 14.721 6.973 17.720 1.00 11.44 H new ATOM 0 HB2 TYR A 66 14.047 8.790 20.053 1.00 22.04 H new ATOM 0 HB3 TYR A 66 13.043 8.735 18.618 1.00 22.04 H new ATOM 0 HD1 TYR A 66 14.545 6.451 21.187 1.00 44.24 H new ATOM 0 HD2 TYR A 66 11.319 7.147 18.492 1.00 43.42 H new ATOM 0 HE1 TYR A 66 13.379 4.483 22.078 1.00 74.33 H new ATOM 0 HE2 TYR A 66 10.147 5.183 19.385 1.00 44.31 H new ATOM 0 HH TYR A 66 11.142 2.862 20.664 1.00 21.33 H new ATOM 975 N GLY A 67 14.968 8.965 16.249 1.00 54.40 N ATOM 976 CA GLY A 67 15.288 10.052 15.341 1.00 20.44 C ATOM 977 C GLY A 67 16.353 9.669 14.333 1.00 50.22 C ATOM 978 O GLY A 67 17.069 8.686 14.519 1.00 41.42 O ATOM 0 H GLY A 67 14.435 8.201 15.832 1.00 54.40 H new ATOM 0 HA2 GLY A 67 14.385 10.358 14.813 1.00 20.44 H new ATOM 0 HA3 GLY A 67 15.629 10.913 15.916 1.00 20.44 H new ATOM 982 N ASN A 68 16.457 10.447 13.260 1.00 14.32 N ATOM 983 CA ASN A 68 17.441 10.183 12.217 1.00 55.34 C ATOM 984 C ASN A 68 18.857 10.226 12.781 1.00 22.24 C ATOM 985 O ASN A 68 19.054 10.463 13.972 1.00 25.44 O ATOM 986 CB ASN A 68 17.300 11.203 11.085 1.00 61.04 C ATOM 987 CG ASN A 68 18.207 12.404 11.272 1.00 22.30 C ATOM 988 OD1 ASN A 68 18.993 12.746 10.388 1.00 13.22 O ATOM 989 ND2 ASN A 68 18.103 13.049 12.428 1.00 54.32 N ATOM 0 H ASN A 68 15.872 11.265 13.090 1.00 14.32 H new ATOM 0 HA ASN A 68 17.257 9.184 11.823 1.00 55.34 H new ATOM 0 HB2 ASN A 68 17.531 10.721 10.135 1.00 61.04 H new ATOM 0 HB3 ASN A 68 16.264 11.539 11.029 1.00 61.04 H new ATOM 0 HD21 ASN A 68 18.689 13.864 12.612 1.00 54.32 H new ATOM 0 HD22 ASN A 68 17.437 12.730 13.132 1.00 54.32 H new ATOM 996 N ASN A 69 19.840 9.995 11.917 1.00 1.11 N ATOM 997 CA ASN A 69 21.239 10.007 12.329 1.00 30.04 C ATOM 998 C ASN A 69 21.521 8.889 13.329 1.00 40.32 C ATOM 999 O ASN A 69 22.543 8.900 14.015 1.00 55.53 O ATOM 1000 CB ASN A 69 21.599 11.360 12.946 1.00 41.33 C ATOM 1001 CG ASN A 69 23.097 11.584 13.015 1.00 65.31 C ATOM 1002 OD1 ASN A 69 23.856 11.029 12.220 1.00 24.31 O ATOM 1003 ND2 ASN A 69 23.530 12.400 13.969 1.00 64.21 N ATOM 0 H ASN A 69 19.694 9.797 10.927 1.00 1.11 H new ATOM 0 HA ASN A 69 21.854 9.843 11.444 1.00 30.04 H new ATOM 0 HB2 ASN A 69 21.142 12.157 12.359 1.00 41.33 H new ATOM 0 HB3 ASN A 69 21.179 11.422 13.950 1.00 41.33 H new ATOM 0 HD21 ASN A 69 24.528 12.588 14.065 1.00 64.21 H new ATOM 0 HD22 ASN A 69 22.865 12.838 14.606 1.00 64.21 H new ATOM 1010 N GLU A 70 20.608 7.926 13.404 1.00 22.21 N ATOM 1011 CA GLU A 70 20.759 6.801 14.320 1.00 43.13 C ATOM 1012 C GLU A 70 20.608 5.474 13.581 1.00 5.23 C ATOM 1013 O GLU A 70 19.495 5.001 13.354 1.00 50.55 O ATOM 1014 CB GLU A 70 19.728 6.890 15.447 1.00 43.22 C ATOM 1015 CG GLU A 70 20.260 7.552 16.707 1.00 32.11 C ATOM 1016 CD GLU A 70 20.073 9.057 16.699 1.00 32.32 C ATOM 1017 OE1 GLU A 70 18.929 9.514 16.901 1.00 54.02 O ATOM 1018 OE2 GLU A 70 21.072 9.777 16.492 1.00 71.15 O ATOM 0 H GLU A 70 19.757 7.902 12.842 1.00 22.21 H new ATOM 0 HA GLU A 70 21.760 6.847 14.749 1.00 43.13 H new ATOM 0 HB2 GLU A 70 18.861 7.447 15.092 1.00 43.22 H new ATOM 0 HB3 GLU A 70 19.383 5.886 15.692 1.00 43.22 H new ATOM 0 HG2 GLU A 70 19.753 7.131 17.576 1.00 32.11 H new ATOM 0 HG3 GLU A 70 21.320 7.322 16.814 1.00 32.11 H new ATOM 1025 N SER A 71 21.737 4.879 13.209 1.00 23.05 N ATOM 1026 CA SER A 71 21.732 3.609 12.493 1.00 54.02 C ATOM 1027 C SER A 71 22.762 2.649 13.080 1.00 13.14 C ATOM 1028 O SER A 71 23.578 3.034 13.918 1.00 44.30 O ATOM 1029 CB SER A 71 22.019 3.836 11.007 1.00 14.24 C ATOM 1030 OG SER A 71 21.407 5.029 10.546 1.00 21.54 O ATOM 0 H SER A 71 22.667 5.256 13.392 1.00 23.05 H new ATOM 0 HA SER A 71 20.743 3.164 12.602 1.00 54.02 H new ATOM 0 HB2 SER A 71 23.096 3.890 10.845 1.00 14.24 H new ATOM 0 HB3 SER A 71 21.652 2.988 10.429 1.00 14.24 H new ATOM 0 HG SER A 71 21.822 5.800 10.985 1.00 21.54 H new ATOM 1036 N CYS A 72 22.717 1.398 12.635 1.00 15.45 N ATOM 1037 CA CYS A 72 23.645 0.382 13.117 1.00 31.51 C ATOM 1038 C CYS A 72 24.459 -0.200 11.966 1.00 3.00 C ATOM 1039 O CYS A 72 24.095 -0.055 10.799 1.00 31.12 O ATOM 1040 CB CYS A 72 22.884 -0.735 13.834 1.00 2.55 C ATOM 1041 SG CYS A 72 23.731 -1.385 15.294 1.00 71.35 S ATOM 0 H CYS A 72 22.048 1.063 11.942 1.00 15.45 H new ATOM 0 HA CYS A 72 24.330 0.855 13.821 1.00 31.51 H new ATOM 0 HB2 CYS A 72 21.905 -0.360 14.132 1.00 2.55 H new ATOM 0 HB3 CYS A 72 22.713 -1.552 13.133 1.00 2.55 H new ATOM 0 HG CYS A 72 23.009 -2.323 15.833 1.00 71.35 H new ATOM 1047 N SER A 73 25.565 -0.857 12.303 1.00 74.13 N ATOM 1048 CA SER A 73 26.434 -1.456 11.297 1.00 42.10 C ATOM 1049 C SER A 73 26.774 -2.898 11.661 1.00 35.04 C ATOM 1050 O SER A 73 27.487 -3.154 12.632 1.00 75.12 O ATOM 1051 CB SER A 73 27.719 -0.639 11.152 1.00 44.33 C ATOM 1052 OG SER A 73 27.836 0.317 12.191 1.00 3.14 O ATOM 0 H SER A 73 25.880 -0.988 13.264 1.00 74.13 H new ATOM 0 HA SER A 73 25.901 -1.456 10.346 1.00 42.10 H new ATOM 0 HB2 SER A 73 28.581 -1.306 11.168 1.00 44.33 H new ATOM 0 HB3 SER A 73 27.725 -0.134 10.186 1.00 44.33 H new ATOM 0 HG SER A 73 28.666 0.825 12.076 1.00 3.14 H new ATOM 1058 N VAL A 74 26.257 -3.838 10.876 1.00 50.44 N ATOM 1059 CA VAL A 74 26.505 -5.254 11.113 1.00 20.54 C ATOM 1060 C VAL A 74 26.504 -6.039 9.807 1.00 64.55 C ATOM 1061 O VAL A 74 25.870 -5.639 8.830 1.00 31.45 O ATOM 1062 CB VAL A 74 25.452 -5.857 12.062 1.00 32.20 C ATOM 1063 CG1 VAL A 74 25.850 -7.265 12.477 1.00 62.31 C ATOM 1064 CG2 VAL A 74 25.262 -4.967 13.281 1.00 72.01 C ATOM 0 H VAL A 74 25.663 -3.643 10.070 1.00 50.44 H new ATOM 0 HA VAL A 74 27.488 -5.329 11.578 1.00 20.54 H new ATOM 0 HB VAL A 74 24.502 -5.916 11.531 1.00 32.20 H new ATOM 0 HG11 VAL A 74 25.094 -7.674 13.147 1.00 62.31 H new ATOM 0 HG12 VAL A 74 25.930 -7.896 11.592 1.00 62.31 H new ATOM 0 HG13 VAL A 74 26.811 -7.235 12.990 1.00 62.31 H new ATOM 0 HG21 VAL A 74 24.515 -5.408 13.941 1.00 72.01 H new ATOM 0 HG22 VAL A 74 26.208 -4.874 13.815 1.00 72.01 H new ATOM 0 HG23 VAL A 74 24.927 -3.980 12.962 1.00 72.01 H new ATOM 1074 N SER A 75 27.220 -7.160 9.795 1.00 15.21 N ATOM 1075 CA SER A 75 27.304 -8.000 8.607 1.00 65.44 C ATOM 1076 C SER A 75 26.261 -9.113 8.652 1.00 2.32 C ATOM 1077 O SER A 75 26.402 -10.081 9.399 1.00 41.41 O ATOM 1078 CB SER A 75 28.705 -8.604 8.482 1.00 52.10 C ATOM 1079 OG SER A 75 28.989 -9.462 9.573 1.00 4.34 O ATOM 0 H SER A 75 27.750 -7.506 10.595 1.00 15.21 H new ATOM 0 HA SER A 75 27.105 -7.375 7.736 1.00 65.44 H new ATOM 0 HB2 SER A 75 28.783 -9.160 7.548 1.00 52.10 H new ATOM 0 HB3 SER A 75 29.446 -7.806 8.440 1.00 52.10 H new ATOM 0 HG SER A 75 28.221 -10.048 9.737 1.00 4.34 H new ATOM 1085 N ALA A 76 25.214 -8.966 7.847 1.00 33.15 N ATOM 1086 CA ALA A 76 24.147 -9.958 7.794 1.00 61.14 C ATOM 1087 C ALA A 76 24.482 -11.072 6.807 1.00 4.33 C ATOM 1088 O ALA A 76 25.216 -10.859 5.842 1.00 32.03 O ATOM 1089 CB ALA A 76 22.830 -9.296 7.418 1.00 75.54 C ATOM 0 H ALA A 76 25.082 -8.170 7.223 1.00 33.15 H new ATOM 0 HA ALA A 76 24.048 -10.403 8.784 1.00 61.14 H new ATOM 0 HB1 ALA A 76 22.042 -10.048 7.382 1.00 75.54 H new ATOM 0 HB2 ALA A 76 22.577 -8.541 8.162 1.00 75.54 H new ATOM 0 HB3 ALA A 76 22.926 -8.824 6.440 1.00 75.54 H new ATOM 1095 N ALA A 77 23.941 -12.260 7.057 1.00 43.41 N ATOM 1096 CA ALA A 77 24.182 -13.406 6.190 1.00 63.31 C ATOM 1097 C ALA A 77 22.930 -13.770 5.400 1.00 71.02 C ATOM 1098 O ALA A 77 21.807 -13.688 5.898 1.00 52.44 O ATOM 1099 CB ALA A 77 24.656 -14.597 7.010 1.00 61.44 C ATOM 0 H ALA A 77 23.333 -12.453 7.853 1.00 43.41 H new ATOM 0 HA ALA A 77 24.962 -13.135 5.479 1.00 63.31 H new ATOM 0 HB1 ALA A 77 24.832 -15.446 6.350 1.00 61.44 H new ATOM 0 HB2 ALA A 77 25.582 -14.339 7.525 1.00 61.44 H new ATOM 0 HB3 ALA A 77 23.894 -14.860 7.744 1.00 61.44 H new ATOM 1105 N PRO A 78 23.124 -14.182 4.138 1.00 10.30 N ATOM 1106 CA PRO A 78 22.021 -14.566 3.252 1.00 20.12 C ATOM 1107 C PRO A 78 21.362 -15.872 3.681 1.00 73.52 C ATOM 1108 O PRO A 78 22.012 -16.915 3.748 1.00 50.34 O ATOM 1109 CB PRO A 78 22.701 -14.732 1.891 1.00 53.43 C ATOM 1110 CG PRO A 78 24.120 -15.050 2.212 1.00 21.12 C ATOM 1111 CD PRO A 78 24.435 -14.304 3.479 1.00 22.12 C ATOM 0 HA PRO A 78 21.219 -13.828 3.256 1.00 20.12 H new ATOM 0 HB2 PRO A 78 22.238 -15.531 1.312 1.00 53.43 H new ATOM 0 HB3 PRO A 78 22.624 -13.822 1.297 1.00 53.43 H new ATOM 0 HG2 PRO A 78 24.259 -16.123 2.346 1.00 21.12 H new ATOM 0 HG3 PRO A 78 24.782 -14.742 1.403 1.00 21.12 H new ATOM 0 HD2 PRO A 78 25.147 -14.848 4.099 1.00 22.12 H new ATOM 0 HD3 PRO A 78 24.873 -13.328 3.272 1.00 22.12 H new ATOM 1119 N GLY A 79 20.065 -15.809 3.970 1.00 24.01 N ATOM 1120 CA GLY A 79 19.340 -16.994 4.388 1.00 32.23 C ATOM 1121 C GLY A 79 18.167 -16.667 5.291 1.00 20.45 C ATOM 1122 O GLY A 79 17.247 -17.472 5.444 1.00 23.10 O ATOM 0 H GLY A 79 19.504 -14.958 3.922 1.00 24.01 H new ATOM 0 HA2 GLY A 79 18.980 -17.525 3.507 1.00 32.23 H new ATOM 0 HA3 GLY A 79 20.020 -17.667 4.910 1.00 32.23 H new ATOM 1126 N THR A 80 18.198 -15.483 5.895 1.00 64.04 N ATOM 1127 CA THR A 80 17.132 -15.053 6.790 1.00 51.33 C ATOM 1128 C THR A 80 16.518 -13.738 6.321 1.00 32.44 C ATOM 1129 O THR A 80 17.229 -12.813 5.930 1.00 4.53 O ATOM 1130 CB THR A 80 17.644 -14.882 8.232 1.00 0.43 C ATOM 1131 OG1 THR A 80 18.246 -16.099 8.686 1.00 63.00 O ATOM 1132 CG2 THR A 80 16.509 -14.493 9.167 1.00 13.51 C ATOM 0 H THR A 80 18.951 -14.805 5.780 1.00 64.04 H new ATOM 0 HA THR A 80 16.371 -15.833 6.773 1.00 51.33 H new ATOM 0 HB THR A 80 18.388 -14.085 8.237 1.00 0.43 H new ATOM 0 HG1 THR A 80 18.570 -15.981 9.603 1.00 63.00 H new ATOM 0 HG21 THR A 80 16.895 -14.378 10.180 1.00 13.51 H new ATOM 0 HG22 THR A 80 16.072 -13.551 8.836 1.00 13.51 H new ATOM 0 HG23 THR A 80 15.746 -15.271 9.156 1.00 13.51 H new ATOM 1140 N THR A 81 15.191 -13.662 6.364 1.00 41.11 N ATOM 1141 CA THR A 81 14.481 -12.461 5.943 1.00 10.35 C ATOM 1142 C THR A 81 14.670 -11.330 6.949 1.00 72.35 C ATOM 1143 O THR A 81 14.621 -11.548 8.159 1.00 33.43 O ATOM 1144 CB THR A 81 12.975 -12.731 5.769 1.00 54.11 C ATOM 1145 OG1 THR A 81 12.773 -13.802 4.840 1.00 24.22 O ATOM 1146 CG2 THR A 81 12.255 -11.484 5.277 1.00 72.44 C ATOM 0 H THR A 81 14.587 -14.418 6.686 1.00 41.11 H new ATOM 0 HA THR A 81 14.903 -12.164 4.983 1.00 10.35 H new ATOM 0 HB THR A 81 12.564 -13.010 6.739 1.00 54.11 H new ATOM 0 HG1 THR A 81 11.813 -13.968 4.736 1.00 24.22 H new ATOM 0 HG21 THR A 81 11.193 -11.699 5.162 1.00 72.44 H new ATOM 0 HG22 THR A 81 12.386 -10.679 6.000 1.00 72.44 H new ATOM 0 HG23 THR A 81 12.670 -11.179 4.316 1.00 72.44 H new ATOM 1154 N TYR A 82 14.885 -10.122 6.439 1.00 20.45 N ATOM 1155 CA TYR A 82 15.083 -8.957 7.293 1.00 31.34 C ATOM 1156 C TYR A 82 13.993 -7.916 7.056 1.00 61.40 C ATOM 1157 O TYR A 82 13.547 -7.714 5.926 1.00 2.31 O ATOM 1158 CB TYR A 82 16.459 -8.339 7.038 1.00 75.13 C ATOM 1159 CG TYR A 82 17.606 -9.188 7.537 1.00 40.21 C ATOM 1160 CD1 TYR A 82 17.925 -9.235 8.888 1.00 13.13 C ATOM 1161 CD2 TYR A 82 18.371 -9.943 6.657 1.00 70.43 C ATOM 1162 CE1 TYR A 82 18.973 -10.008 9.348 1.00 33.35 C ATOM 1163 CE2 TYR A 82 19.420 -10.721 7.108 1.00 10.21 C ATOM 1164 CZ TYR A 82 19.717 -10.750 8.455 1.00 42.43 C ATOM 1165 OH TYR A 82 20.761 -11.522 8.909 1.00 21.43 O ATOM 0 H TYR A 82 14.927 -9.924 5.439 1.00 20.45 H new ATOM 0 HA TYR A 82 15.027 -9.285 8.331 1.00 31.34 H new ATOM 0 HB2 TYR A 82 16.580 -8.172 5.968 1.00 75.13 H new ATOM 0 HB3 TYR A 82 16.504 -7.362 7.520 1.00 75.13 H new ATOM 0 HD1 TYR A 82 17.343 -8.657 9.591 1.00 13.13 H new ATOM 0 HD2 TYR A 82 18.142 -9.921 5.602 1.00 70.43 H new ATOM 0 HE1 TYR A 82 19.209 -10.031 10.402 1.00 33.35 H new ATOM 0 HE2 TYR A 82 20.004 -11.303 6.410 1.00 10.21 H new ATOM 0 HH TYR A 82 21.181 -11.982 8.152 1.00 21.43 H new ATOM 1175 N HIS A 83 13.569 -7.258 8.130 1.00 54.01 N ATOM 1176 CA HIS A 83 12.532 -6.236 8.040 1.00 74.21 C ATOM 1177 C HIS A 83 13.040 -4.898 8.568 1.00 30.24 C ATOM 1178 O HIS A 83 14.026 -4.844 9.303 1.00 0.45 O ATOM 1179 CB HIS A 83 11.291 -6.668 8.822 1.00 71.51 C ATOM 1180 CG HIS A 83 10.573 -7.832 8.211 1.00 61.33 C ATOM 1181 ND1 HIS A 83 9.214 -7.839 7.976 1.00 64.35 N ATOM 1182 CD2 HIS A 83 11.033 -9.031 7.784 1.00 25.50 C ATOM 1183 CE1 HIS A 83 8.870 -8.993 7.432 1.00 32.13 C ATOM 1184 NE2 HIS A 83 9.955 -9.734 7.305 1.00 65.51 N ATOM 0 H HIS A 83 13.927 -7.414 9.072 1.00 54.01 H new ATOM 0 HA HIS A 83 12.267 -6.115 6.990 1.00 74.21 H new ATOM 0 HB2 HIS A 83 11.584 -6.926 9.840 1.00 71.51 H new ATOM 0 HB3 HIS A 83 10.604 -5.824 8.893 1.00 71.51 H new ATOM 0 HD2 HIS A 83 12.057 -9.372 7.814 1.00 25.50 H new ATOM 0 HE1 HIS A 83 7.871 -9.281 7.141 1.00 32.13 H new ATOM 0 HE2 HIS A 83 9.987 -10.676 6.915 1.00 65.51 H new ATOM 1192 N VAL A 84 12.361 -3.821 8.188 1.00 13.45 N ATOM 1193 CA VAL A 84 12.743 -2.483 8.624 1.00 1.12 C ATOM 1194 C VAL A 84 11.531 -1.694 9.106 1.00 34.21 C ATOM 1195 O VAL A 84 10.544 -1.551 8.384 1.00 3.43 O ATOM 1196 CB VAL A 84 13.434 -1.700 7.492 1.00 1.10 C ATOM 1197 CG1 VAL A 84 14.041 -0.411 8.027 1.00 74.54 C ATOM 1198 CG2 VAL A 84 14.494 -2.560 6.821 1.00 44.55 C ATOM 0 H VAL A 84 11.543 -3.849 7.579 1.00 13.45 H new ATOM 0 HA VAL A 84 13.443 -2.608 9.450 1.00 1.12 H new ATOM 0 HB VAL A 84 12.685 -1.437 6.745 1.00 1.10 H new ATOM 0 HG11 VAL A 84 14.525 0.129 7.213 1.00 74.54 H new ATOM 0 HG12 VAL A 84 13.255 0.210 8.458 1.00 74.54 H new ATOM 0 HG13 VAL A 84 14.778 -0.647 8.794 1.00 74.54 H new ATOM 0 HG21 VAL A 84 14.972 -1.992 6.024 1.00 44.55 H new ATOM 0 HG22 VAL A 84 15.243 -2.854 7.556 1.00 44.55 H new ATOM 0 HG23 VAL A 84 14.027 -3.451 6.402 1.00 44.55 H new ATOM 1208 N MET A 85 11.612 -1.185 10.331 1.00 53.42 N ATOM 1209 CA MET A 85 10.521 -0.408 10.909 1.00 71.32 C ATOM 1210 C MET A 85 10.975 1.012 11.229 1.00 53.42 C ATOM 1211 O MET A 85 11.997 1.214 11.885 1.00 42.13 O ATOM 1212 CB MET A 85 9.999 -1.087 12.177 1.00 62.34 C ATOM 1213 CG MET A 85 8.532 -0.805 12.458 1.00 42.15 C ATOM 1214 SD MET A 85 8.214 -0.447 14.196 1.00 62.11 S ATOM 1215 CE MET A 85 7.040 0.898 14.055 1.00 32.14 C ATOM 0 H MET A 85 12.421 -1.296 10.942 1.00 53.42 H new ATOM 0 HA MET A 85 9.716 -0.357 10.175 1.00 71.32 H new ATOM 0 HB2 MET A 85 10.143 -2.164 12.088 1.00 62.34 H new ATOM 0 HB3 MET A 85 10.594 -0.755 13.028 1.00 62.34 H new ATOM 0 HG2 MET A 85 8.206 0.040 11.851 1.00 42.15 H new ATOM 0 HG3 MET A 85 7.936 -1.665 12.153 1.00 42.15 H new ATOM 0 HE1 MET A 85 6.746 1.231 15.051 1.00 32.14 H new ATOM 0 HE2 MET A 85 7.499 1.727 13.516 1.00 32.14 H new ATOM 0 HE3 MET A 85 6.159 0.556 13.512 1.00 32.14 H new ATOM 1225 N ILE A 86 10.209 1.993 10.762 1.00 70.31 N ATOM 1226 CA ILE A 86 10.533 3.394 11.000 1.00 71.23 C ATOM 1227 C ILE A 86 9.432 4.085 11.797 1.00 51.13 C ATOM 1228 O ILE A 86 8.310 4.248 11.315 1.00 4.34 O ATOM 1229 CB ILE A 86 10.749 4.154 9.678 1.00 73.03 C ATOM 1230 CG1 ILE A 86 11.720 3.389 8.777 1.00 63.22 C ATOM 1231 CG2 ILE A 86 11.266 5.558 9.952 1.00 24.14 C ATOM 1232 CD1 ILE A 86 13.066 3.134 9.419 1.00 60.43 C ATOM 0 H ILE A 86 9.360 1.843 10.217 1.00 70.31 H new ATOM 0 HA ILE A 86 11.459 3.411 11.575 1.00 71.23 H new ATOM 0 HB ILE A 86 9.792 4.235 9.162 1.00 73.03 H new ATOM 0 HG12 ILE A 86 11.272 2.435 8.501 1.00 63.22 H new ATOM 0 HG13 ILE A 86 11.867 3.951 7.855 1.00 63.22 H new ATOM 0 HG21 ILE A 86 11.414 6.082 9.008 1.00 24.14 H new ATOM 0 HG22 ILE A 86 10.541 6.101 10.559 1.00 24.14 H new ATOM 0 HG23 ILE A 86 12.214 5.499 10.486 1.00 24.14 H new ATOM 0 HD11 ILE A 86 13.703 2.588 8.724 1.00 60.43 H new ATOM 0 HD12 ILE A 86 13.535 4.085 9.670 1.00 60.43 H new ATOM 0 HD13 ILE A 86 12.931 2.545 10.326 1.00 60.43 H new ATOM 1244 N LYS A 87 9.760 4.492 13.018 1.00 33.54 N ATOM 1245 CA LYS A 87 8.801 5.169 13.883 1.00 33.21 C ATOM 1246 C LYS A 87 8.990 6.681 13.826 1.00 51.33 C ATOM 1247 O LYS A 87 10.097 7.170 13.607 1.00 5.25 O ATOM 1248 CB LYS A 87 8.949 4.680 15.326 1.00 64.14 C ATOM 1249 CG LYS A 87 7.625 4.379 16.005 1.00 11.15 C ATOM 1250 CD LYS A 87 7.089 5.594 16.745 1.00 70.35 C ATOM 1251 CE LYS A 87 5.732 6.020 16.206 1.00 50.02 C ATOM 1252 NZ LYS A 87 4.615 5.328 16.907 1.00 52.53 N ATOM 0 H LYS A 87 10.684 4.365 13.432 1.00 33.54 H new ATOM 0 HA LYS A 87 7.799 4.932 13.527 1.00 33.21 H new ATOM 0 HB2 LYS A 87 9.565 3.781 15.335 1.00 64.14 H new ATOM 0 HB3 LYS A 87 9.481 5.436 15.904 1.00 64.14 H new ATOM 0 HG2 LYS A 87 6.898 4.056 15.260 1.00 11.15 H new ATOM 0 HG3 LYS A 87 7.753 3.553 16.705 1.00 11.15 H new ATOM 0 HD2 LYS A 87 7.005 5.366 17.808 1.00 70.35 H new ATOM 0 HD3 LYS A 87 7.795 6.419 16.651 1.00 70.35 H new ATOM 0 HE2 LYS A 87 5.619 7.098 16.318 1.00 50.02 H new ATOM 0 HE3 LYS A 87 5.681 5.804 15.139 1.00 50.02 H new ATOM 0 HZ1 LYS A 87 4.061 4.779 16.219 1.00 52.53 H new ATOM 0 HZ2 LYS A 87 5.002 4.688 17.630 1.00 52.53 H new ATOM 0 HZ3 LYS A 87 4.001 6.033 17.362 1.00 52.53 H new ATOM 1266 N GLY A 88 7.901 7.418 14.025 1.00 74.43 N ATOM 1267 CA GLY A 88 7.969 8.867 13.993 1.00 71.22 C ATOM 1268 C GLY A 88 7.722 9.489 15.353 1.00 60.11 C ATOM 1269 O GLY A 88 7.161 8.849 16.243 1.00 3.42 O ATOM 0 H GLY A 88 6.973 7.037 14.208 1.00 74.43 H new ATOM 0 HA2 GLY A 88 8.950 9.174 13.629 1.00 71.22 H new ATOM 0 HA3 GLY A 88 7.233 9.247 13.284 1.00 71.22 H new ATOM 1273 N TYR A 89 8.143 10.738 15.515 1.00 14.41 N ATOM 1274 CA TYR A 89 7.968 11.446 16.778 1.00 32.31 C ATOM 1275 C TYR A 89 7.106 12.690 16.591 1.00 51.55 C ATOM 1276 O TYR A 89 6.473 13.168 17.532 1.00 53.42 O ATOM 1277 CB TYR A 89 9.327 11.836 17.360 1.00 2.25 C ATOM 1278 CG TYR A 89 9.380 11.774 18.870 1.00 34.13 C ATOM 1279 CD1 TYR A 89 8.971 12.853 19.645 1.00 63.25 C ATOM 1280 CD2 TYR A 89 9.837 10.635 19.523 1.00 54.34 C ATOM 1281 CE1 TYR A 89 9.018 12.800 21.024 1.00 2.51 C ATOM 1282 CE2 TYR A 89 9.886 10.573 20.902 1.00 54.51 C ATOM 1283 CZ TYR A 89 9.476 11.659 21.648 1.00 31.31 C ATOM 1284 OH TYR A 89 9.523 11.602 23.022 1.00 12.02 O ATOM 0 H TYR A 89 8.608 11.281 14.788 1.00 14.41 H new ATOM 0 HA TYR A 89 7.461 10.777 17.473 1.00 32.31 H new ATOM 0 HB2 TYR A 89 10.091 11.175 16.951 1.00 2.25 H new ATOM 0 HB3 TYR A 89 9.574 12.847 17.037 1.00 2.25 H new ATOM 0 HD1 TYR A 89 8.610 13.748 19.160 1.00 63.25 H new ATOM 0 HD2 TYR A 89 10.159 9.784 18.942 1.00 54.34 H new ATOM 0 HE1 TYR A 89 8.698 13.648 21.611 1.00 2.51 H new ATOM 0 HE2 TYR A 89 10.243 9.680 21.393 1.00 54.51 H new ATOM 0 HH TYR A 89 9.869 10.729 23.302 1.00 12.02 H new ATOM 1294 N SER A 90 7.087 13.210 15.367 1.00 13.23 N ATOM 1295 CA SER A 90 6.306 14.401 15.055 1.00 54.31 C ATOM 1296 C SER A 90 6.397 14.737 13.569 1.00 33.54 C ATOM 1297 O SER A 90 7.440 14.553 12.943 1.00 33.24 O ATOM 1298 CB SER A 90 6.792 15.589 15.888 1.00 34.31 C ATOM 1299 OG SER A 90 8.183 15.797 15.716 1.00 13.02 O ATOM 0 H SER A 90 7.603 12.825 14.576 1.00 13.23 H new ATOM 0 HA SER A 90 5.264 14.196 15.301 1.00 54.31 H new ATOM 0 HB2 SER A 90 6.248 16.488 15.597 1.00 34.31 H new ATOM 0 HB3 SER A 90 6.575 15.412 16.941 1.00 34.31 H new ATOM 0 HG SER A 90 8.497 15.286 14.941 1.00 13.02 H new ATOM 1305 N ASN A 91 5.296 15.230 13.012 1.00 74.31 N ATOM 1306 CA ASN A 91 5.250 15.591 11.600 1.00 72.44 C ATOM 1307 C ASN A 91 6.607 16.099 11.124 1.00 41.42 C ATOM 1308 O ASN A 91 7.016 17.212 11.456 1.00 53.53 O ATOM 1309 CB ASN A 91 4.180 16.657 11.359 1.00 53.42 C ATOM 1310 CG ASN A 91 4.111 17.090 9.907 1.00 72.10 C ATOM 1311 OD1 ASN A 91 3.953 16.263 9.008 1.00 12.33 O ATOM 1312 ND2 ASN A 91 4.230 18.391 9.671 1.00 13.32 N ATOM 0 H ASN A 91 4.424 15.389 13.517 1.00 74.31 H new ATOM 0 HA ASN A 91 4.997 14.697 11.030 1.00 72.44 H new ATOM 0 HB2 ASN A 91 3.209 16.269 11.666 1.00 53.42 H new ATOM 0 HB3 ASN A 91 4.389 17.525 11.985 1.00 53.42 H new ATOM 0 HD21 ASN A 91 4.192 18.741 8.714 1.00 13.32 H new ATOM 0 HD22 ASN A 91 4.360 19.040 10.447 1.00 13.32 H new ATOM 1319 N TYR A 92 7.301 15.277 10.344 1.00 13.34 N ATOM 1320 CA TYR A 92 8.613 15.643 9.824 1.00 31.31 C ATOM 1321 C TYR A 92 9.042 14.692 8.711 1.00 74.32 C ATOM 1322 O TYR A 92 9.242 13.499 8.941 1.00 42.23 O ATOM 1323 CB TYR A 92 9.651 15.632 10.947 1.00 2.02 C ATOM 1324 CG TYR A 92 10.818 16.562 10.702 1.00 13.23 C ATOM 1325 CD1 TYR A 92 11.644 16.396 9.598 1.00 62.43 C ATOM 1326 CD2 TYR A 92 11.094 17.607 11.575 1.00 22.15 C ATOM 1327 CE1 TYR A 92 12.712 17.242 9.370 1.00 13.51 C ATOM 1328 CE2 TYR A 92 12.159 18.459 11.355 1.00 55.50 C ATOM 1329 CZ TYR A 92 12.964 18.273 10.251 1.00 4.12 C ATOM 1330 OH TYR A 92 14.026 19.119 10.029 1.00 44.42 O ATOM 0 H TYR A 92 6.977 14.353 10.058 1.00 13.34 H new ATOM 0 HA TYR A 92 8.544 16.650 9.411 1.00 31.31 H new ATOM 0 HB2 TYR A 92 9.165 15.911 11.882 1.00 2.02 H new ATOM 0 HB3 TYR A 92 10.027 14.617 11.073 1.00 2.02 H new ATOM 0 HD1 TYR A 92 11.448 15.591 8.905 1.00 62.43 H new ATOM 0 HD2 TYR A 92 10.465 17.756 12.440 1.00 22.15 H new ATOM 0 HE1 TYR A 92 13.346 17.097 8.507 1.00 13.51 H new ATOM 0 HE2 TYR A 92 12.360 19.266 12.044 1.00 55.50 H new ATOM 0 HH TYR A 92 14.551 19.207 10.852 1.00 44.42 H new ATOM 1340 N SER A 93 9.181 15.229 7.503 1.00 13.32 N ATOM 1341 CA SER A 93 9.583 14.429 6.352 1.00 14.51 C ATOM 1342 C SER A 93 10.861 14.980 5.728 1.00 62.02 C ATOM 1343 O SER A 93 11.174 16.162 5.867 1.00 63.45 O ATOM 1344 CB SER A 93 8.464 14.400 5.309 1.00 51.30 C ATOM 1345 OG SER A 93 7.958 15.702 5.067 1.00 21.20 O ATOM 0 H SER A 93 9.021 16.215 7.296 1.00 13.32 H new ATOM 0 HA SER A 93 9.776 13.413 6.696 1.00 14.51 H new ATOM 0 HB2 SER A 93 8.840 13.974 4.379 1.00 51.30 H new ATOM 0 HB3 SER A 93 7.658 13.752 5.653 1.00 51.30 H new ATOM 0 HG SER A 93 7.245 15.657 4.396 1.00 21.20 H new ATOM 1351 N GLY A 94 11.597 14.113 5.039 1.00 61.22 N ATOM 1352 CA GLY A 94 12.833 14.529 4.403 1.00 4.52 C ATOM 1353 C GLY A 94 14.029 13.730 4.881 1.00 61.52 C ATOM 1354 O GLY A 94 15.160 14.215 4.856 1.00 62.25 O ATOM 0 H GLY A 94 11.359 13.130 4.910 1.00 61.22 H new ATOM 0 HA2 GLY A 94 12.736 14.421 3.323 1.00 4.52 H new ATOM 0 HA3 GLY A 94 13.003 15.587 4.604 1.00 4.52 H new ATOM 1358 N VAL A 95 13.779 12.500 5.319 1.00 24.34 N ATOM 1359 CA VAL A 95 14.844 11.631 5.806 1.00 63.32 C ATOM 1360 C VAL A 95 15.031 10.425 4.891 1.00 13.22 C ATOM 1361 O VAL A 95 14.060 9.842 4.408 1.00 73.30 O ATOM 1362 CB VAL A 95 14.556 11.137 7.236 1.00 63.41 C ATOM 1363 CG1 VAL A 95 15.847 10.727 7.930 1.00 54.24 C ATOM 1364 CG2 VAL A 95 13.830 12.209 8.033 1.00 34.14 C ATOM 0 H VAL A 95 12.849 12.083 5.347 1.00 24.34 H new ATOM 0 HA VAL A 95 15.758 12.224 5.812 1.00 63.32 H new ATOM 0 HB VAL A 95 13.910 10.261 7.176 1.00 63.41 H new ATOM 0 HG11 VAL A 95 15.624 10.381 8.939 1.00 54.24 H new ATOM 0 HG12 VAL A 95 16.323 9.924 7.368 1.00 54.24 H new ATOM 0 HG13 VAL A 95 16.520 11.583 7.981 1.00 54.24 H new ATOM 0 HG21 VAL A 95 13.634 11.843 9.041 1.00 34.14 H new ATOM 0 HG22 VAL A 95 14.449 13.105 8.086 1.00 34.14 H new ATOM 0 HG23 VAL A 95 12.886 12.449 7.544 1.00 34.14 H new ATOM 1374 N THR A 96 16.286 10.055 4.657 1.00 0.30 N ATOM 1375 CA THR A 96 16.601 8.919 3.800 1.00 52.51 C ATOM 1376 C THR A 96 16.931 7.682 4.626 1.00 32.23 C ATOM 1377 O THR A 96 17.927 7.653 5.350 1.00 45.15 O ATOM 1378 CB THR A 96 17.786 9.231 2.867 1.00 5.12 C ATOM 1379 OG1 THR A 96 17.823 10.632 2.573 1.00 3.00 O ATOM 1380 CG2 THR A 96 17.680 8.439 1.573 1.00 32.41 C ATOM 0 H THR A 96 17.101 10.526 5.049 1.00 0.30 H new ATOM 0 HA THR A 96 15.715 8.723 3.196 1.00 52.51 H new ATOM 0 HB THR A 96 18.706 8.943 3.376 1.00 5.12 H new ATOM 0 HG1 THR A 96 18.151 11.122 3.356 1.00 3.00 H new ATOM 0 HG21 THR A 96 18.528 8.676 0.931 1.00 32.41 H new ATOM 0 HG22 THR A 96 17.682 7.372 1.798 1.00 32.41 H new ATOM 0 HG23 THR A 96 16.753 8.700 1.062 1.00 32.41 H new ATOM 1388 N LEU A 97 16.089 6.660 4.515 1.00 42.14 N ATOM 1389 CA LEU A 97 16.292 5.418 5.252 1.00 61.43 C ATOM 1390 C LEU A 97 16.802 4.315 4.330 1.00 72.43 C ATOM 1391 O LEU A 97 16.220 4.052 3.277 1.00 71.20 O ATOM 1392 CB LEU A 97 14.987 4.978 5.918 1.00 4.35 C ATOM 1393 CG LEU A 97 14.935 3.528 6.401 1.00 5.33 C ATOM 1394 CD1 LEU A 97 14.671 2.587 5.236 1.00 21.04 C ATOM 1395 CD2 LEU A 97 16.230 3.155 7.108 1.00 64.20 C ATOM 0 H LEU A 97 15.259 6.667 3.922 1.00 42.14 H new ATOM 0 HA LEU A 97 17.043 5.599 6.021 1.00 61.43 H new ATOM 0 HB2 LEU A 97 14.800 5.631 6.771 1.00 4.35 H new ATOM 0 HB3 LEU A 97 14.172 5.134 5.212 1.00 4.35 H new ATOM 0 HG LEU A 97 14.115 3.431 7.113 1.00 5.33 H new ATOM 0 HD11 LEU A 97 14.637 1.560 5.599 1.00 21.04 H new ATOM 0 HD12 LEU A 97 13.717 2.840 4.773 1.00 21.04 H new ATOM 0 HD13 LEU A 97 15.469 2.686 4.500 1.00 21.04 H new ATOM 0 HD21 LEU A 97 16.175 2.120 7.445 1.00 64.20 H new ATOM 0 HD22 LEU A 97 17.067 3.269 6.419 1.00 64.20 H new ATOM 0 HD23 LEU A 97 16.377 3.809 7.967 1.00 64.20 H new ATOM 1407 N LYS A 98 17.891 3.670 4.733 1.00 5.00 N ATOM 1408 CA LYS A 98 18.479 2.592 3.946 1.00 51.30 C ATOM 1409 C LYS A 98 18.805 1.390 4.827 1.00 51.51 C ATOM 1410 O LYS A 98 18.722 1.466 6.054 1.00 44.44 O ATOM 1411 CB LYS A 98 19.747 3.080 3.241 1.00 14.22 C ATOM 1412 CG LYS A 98 20.179 2.195 2.085 1.00 31.12 C ATOM 1413 CD LYS A 98 20.636 3.018 0.893 1.00 44.41 C ATOM 1414 CE LYS A 98 21.625 4.098 1.307 1.00 33.33 C ATOM 1415 NZ LYS A 98 22.752 4.217 0.342 1.00 4.20 N ATOM 0 H LYS A 98 18.385 3.875 5.601 1.00 5.00 H new ATOM 0 HA LYS A 98 17.750 2.284 3.197 1.00 51.30 H new ATOM 0 HB2 LYS A 98 19.580 4.091 2.871 1.00 14.22 H new ATOM 0 HB3 LYS A 98 20.558 3.136 3.967 1.00 14.22 H new ATOM 0 HG2 LYS A 98 20.989 1.541 2.409 1.00 31.12 H new ATOM 0 HG3 LYS A 98 19.350 1.552 1.788 1.00 31.12 H new ATOM 0 HD2 LYS A 98 21.098 2.364 0.154 1.00 44.41 H new ATOM 0 HD3 LYS A 98 19.772 3.479 0.415 1.00 44.41 H new ATOM 0 HE2 LYS A 98 21.108 5.055 1.381 1.00 33.33 H new ATOM 0 HE3 LYS A 98 22.018 3.870 2.298 1.00 33.33 H new ATOM 0 HZ1 LYS A 98 23.403 4.963 0.659 1.00 4.20 H new ATOM 0 HZ2 LYS A 98 23.261 3.312 0.290 1.00 4.20 H new ATOM 0 HZ3 LYS A 98 22.380 4.460 -0.598 1.00 4.20 H new ATOM 1429 N LEU A 99 19.176 0.283 4.195 1.00 65.13 N ATOM 1430 CA LEU A 99 19.517 -0.935 4.922 1.00 71.45 C ATOM 1431 C LEU A 99 20.995 -0.950 5.298 1.00 60.15 C ATOM 1432 O LEU A 99 21.853 -0.590 4.492 1.00 21.12 O ATOM 1433 CB LEU A 99 19.181 -2.167 4.078 1.00 2.41 C ATOM 1434 CG LEU A 99 20.369 -3.021 3.636 1.00 63.52 C ATOM 1435 CD1 LEU A 99 19.898 -4.390 3.169 1.00 12.11 C ATOM 1436 CD2 LEU A 99 21.150 -2.320 2.534 1.00 23.11 C ATOM 0 H LEU A 99 19.249 0.203 3.181 1.00 65.13 H new ATOM 0 HA LEU A 99 18.928 -0.958 5.839 1.00 71.45 H new ATOM 0 HB2 LEU A 99 18.498 -2.797 4.647 1.00 2.41 H new ATOM 0 HB3 LEU A 99 18.645 -1.838 3.188 1.00 2.41 H new ATOM 0 HG LEU A 99 21.030 -3.159 4.491 1.00 63.52 H new ATOM 0 HD11 LEU A 99 20.757 -4.984 2.858 1.00 12.11 H new ATOM 0 HD12 LEU A 99 19.384 -4.896 3.986 1.00 12.11 H new ATOM 0 HD13 LEU A 99 19.215 -4.272 2.328 1.00 12.11 H new ATOM 0 HD21 LEU A 99 21.992 -2.943 2.232 1.00 23.11 H new ATOM 0 HD22 LEU A 99 20.498 -2.151 1.677 1.00 23.11 H new ATOM 0 HD23 LEU A 99 21.520 -1.363 2.902 1.00 23.11 H new ATOM 1448 N GLN A 100 21.284 -1.371 6.525 1.00 50.42 N ATOM 1449 CA GLN A 100 22.659 -1.434 7.006 1.00 11.32 C ATOM 1450 C GLN A 100 23.126 -2.880 7.131 1.00 20.15 C ATOM 1451 O GLN A 100 22.633 -3.631 7.973 1.00 23.34 O ATOM 1452 CB GLN A 100 22.781 -0.727 8.357 1.00 3.13 C ATOM 1453 CG GLN A 100 21.977 -1.388 9.465 1.00 54.22 C ATOM 1454 CD GLN A 100 22.793 -2.383 10.265 1.00 70.40 C ATOM 1455 OE1 GLN A 100 23.972 -2.603 9.986 1.00 21.14 O ATOM 1456 NE2 GLN A 100 22.169 -2.992 11.266 1.00 33.34 N ATOM 0 H GLN A 100 20.585 -1.673 7.204 1.00 50.42 H new ATOM 0 HA GLN A 100 23.295 -0.928 6.280 1.00 11.32 H new ATOM 0 HB2 GLN A 100 23.831 -0.698 8.649 1.00 3.13 H new ATOM 0 HB3 GLN A 100 22.452 0.306 8.248 1.00 3.13 H new ATOM 0 HG2 GLN A 100 21.589 -0.620 10.135 1.00 54.22 H new ATOM 0 HG3 GLN A 100 21.116 -1.896 9.030 1.00 54.22 H new ATOM 0 HE21 GLN A 100 21.191 -2.779 11.462 1.00 33.34 H new ATOM 0 HE22 GLN A 100 22.668 -3.673 11.839 1.00 33.34 H new ATOM 1465 N TYR A 101 24.078 -3.264 6.289 1.00 44.22 N ATOM 1466 CA TYR A 101 24.610 -4.621 6.303 1.00 22.44 C ATOM 1467 C TYR A 101 26.136 -4.609 6.283 1.00 33.21 C ATOM 1468 O TYR A 101 26.776 -5.655 6.374 1.00 74.55 O ATOM 1469 CB TYR A 101 24.080 -5.412 5.106 1.00 35.35 C ATOM 1470 CG TYR A 101 22.677 -5.941 5.304 1.00 54.42 C ATOM 1471 CD1 TYR A 101 21.647 -5.100 5.708 1.00 72.02 C ATOM 1472 CD2 TYR A 101 22.381 -7.281 5.085 1.00 11.41 C ATOM 1473 CE1 TYR A 101 20.364 -5.579 5.890 1.00 51.20 C ATOM 1474 CE2 TYR A 101 21.100 -7.768 5.263 1.00 5.24 C ATOM 1475 CZ TYR A 101 20.096 -6.913 5.666 1.00 34.14 C ATOM 1476 OH TYR A 101 18.819 -7.394 5.845 1.00 14.44 O ATOM 0 H TYR A 101 24.498 -2.654 5.587 1.00 44.22 H new ATOM 0 HA TYR A 101 24.280 -5.103 7.223 1.00 22.44 H new ATOM 0 HB2 TYR A 101 24.097 -4.774 4.223 1.00 35.35 H new ATOM 0 HB3 TYR A 101 24.750 -6.248 4.908 1.00 35.35 H new ATOM 0 HD1 TYR A 101 21.853 -4.054 5.883 1.00 72.02 H new ATOM 0 HD2 TYR A 101 23.165 -7.953 4.770 1.00 11.41 H new ATOM 0 HE1 TYR A 101 19.575 -4.912 6.206 1.00 51.20 H new ATOM 0 HE2 TYR A 101 20.887 -8.812 5.088 1.00 5.24 H new ATOM 0 HH TYR A 101 18.845 -8.181 6.428 1.00 14.44 H new TER 1486 TYR A 101