USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 943 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 75 THR OG1 : rot 89:sc= 1.74 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.617 K(o=1.1,f=-0.56) USER MOD Set 2.1: A 31 HIS :FLIP no HE2:sc= -0.268 F(o=-1.2,f=-0.27) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 13 MET CE :methyl 150:sc= -3.36 (180deg=-7.56!) USER MOD Set 3.2: A 15 LYS NZ :NH3+ 158:sc= -0.0342 (180deg=0) USER MOD Set 4.1: A 8 SER OG : rot -131:sc= 0.222 USER MOD Set 4.2: A 10 CYS SG : rot 170:sc= 0.235 USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 106 THR OG1 : rot -125:sc= 0.719 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0797 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.352 F(o=-3.4!,f=-0.35) USER MOD Single : A 35 LYS NZ :NH3+ 137:sc= -0.879 (180deg=-3.77!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 117:sc= 1.21 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -159:sc= 0.502 USER MOD Single : A 56 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.035) USER MOD Single : A 59 THR OG1 : rot 171:sc= 1.79 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 40:sc= 0.877 USER MOD Single : A 70 LYS NZ :NH3+ -123:sc= 1.23 (180deg=-0.214) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 92:sc= 0.101 USER MOD Single : A 78 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 151:sc= -0.015 (180deg=-0.337) USER MOD Single : A 90 HIS : no HD1:sc= -0.251 K(o=-0.25,f=-1.1) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -160:sc= -1.36 (180deg=-3!) USER MOD Single : A 112 SER OG : rot 137:sc= 0.618 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0.00528 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0.00503 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -174:sc= -1.6 (180deg=-1.72) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.366 X(o=-0.37,f=-0.21) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.824 -4.466 -4.618 1.00 74.13 N ATOM 2 CA GLY A 1 3.255 -5.801 -4.606 1.00 34.14 C ATOM 3 C GLY A 1 1.893 -5.846 -3.943 1.00 1.51 C ATOM 4 O GLY A 1 1.308 -4.814 -3.609 1.00 72.31 O ATOM 0 H1 GLY A 1 4.035 -4.187 -5.598 1.00 74.13 H new ATOM 0 H2 GLY A 1 3.145 -3.795 -4.206 1.00 74.13 H new ATOM 0 H3 GLY A 1 4.701 -4.457 -4.059 1.00 74.13 H new ATOM 0 HA2 GLY A 1 3.169 -6.165 -5.630 1.00 34.14 H new ATOM 0 HA3 GLY A 1 3.932 -6.476 -4.083 1.00 34.14 H new ATOM 8 N PRO A 2 1.367 -7.063 -3.743 1.00 21.03 N ATOM 9 CA PRO A 2 0.059 -7.266 -3.114 1.00 2.31 C ATOM 10 C PRO A 2 0.069 -6.920 -1.630 1.00 61.30 C ATOM 11 O PRO A 2 -0.809 -6.208 -1.141 1.00 14.21 O ATOM 12 CB PRO A 2 -0.201 -8.762 -3.313 1.00 23.42 C ATOM 13 CG PRO A 2 1.153 -9.369 -3.438 1.00 33.11 C ATOM 14 CD PRO A 2 2.009 -8.334 -4.116 1.00 34.03 C ATOM 0 HA PRO A 2 -0.707 -6.624 -3.549 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -0.748 -9.184 -2.470 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -0.800 -8.944 -4.205 1.00 23.42 H new ATOM 0 HG2 PRO A 2 1.556 -9.629 -2.459 1.00 33.11 H new ATOM 0 HG3 PRO A 2 1.116 -10.289 -4.022 1.00 33.11 H new ATOM 0 HD2 PRO A 2 3.042 -8.379 -3.771 1.00 34.03 H new ATOM 0 HD3 PRO A 2 2.027 -8.473 -5.197 1.00 34.03 H new ATOM 22 N THR A 3 1.069 -7.428 -0.915 1.00 23.42 N ATOM 23 CA THR A 3 1.193 -7.173 0.515 1.00 41.32 C ATOM 24 C THR A 3 2.412 -6.308 0.815 1.00 20.13 C ATOM 25 O THR A 3 3.140 -5.909 -0.092 1.00 54.11 O ATOM 26 CB THR A 3 1.300 -8.487 1.312 1.00 33.42 C ATOM 27 OG1 THR A 3 2.550 -9.128 1.033 1.00 11.12 O ATOM 28 CG2 THR A 3 0.153 -9.424 0.968 1.00 11.31 C ATOM 0 H THR A 3 1.805 -8.018 -1.303 1.00 23.42 H new ATOM 0 HA THR A 3 0.291 -6.643 0.822 1.00 41.32 H new ATOM 0 HB THR A 3 1.245 -8.248 2.374 1.00 33.42 H new ATOM 0 HG1 THR A 3 2.611 -9.962 1.545 1.00 11.12 H new ATOM 0 HG21 THR A 3 0.250 -10.345 1.543 1.00 11.31 H new ATOM 0 HG22 THR A 3 -0.795 -8.943 1.210 1.00 11.31 H new ATOM 0 HG23 THR A 3 0.180 -9.657 -0.097 1.00 11.31 H new ATOM 36 N GLY A 4 2.628 -6.022 2.095 1.00 1.33 N ATOM 37 CA GLY A 4 3.760 -5.206 2.493 1.00 1.34 C ATOM 38 C GLY A 4 4.910 -6.033 3.033 1.00 45.41 C ATOM 39 O GLY A 4 5.190 -7.123 2.533 1.00 60.11 O ATOM 0 H GLY A 4 2.039 -6.341 2.864 1.00 1.33 H new ATOM 0 HA2 GLY A 4 4.104 -4.626 1.637 1.00 1.34 H new ATOM 0 HA3 GLY A 4 3.441 -4.493 3.253 1.00 1.34 H new ATOM 43 N THR A 5 5.580 -5.515 4.058 1.00 12.54 N ATOM 44 CA THR A 5 6.706 -6.211 4.665 1.00 74.23 C ATOM 45 C THR A 5 7.158 -5.515 5.945 1.00 64.14 C ATOM 46 O THR A 5 7.265 -4.292 5.993 1.00 14.45 O ATOM 47 CB THR A 5 7.899 -6.301 3.696 1.00 71.41 C ATOM 48 OG1 THR A 5 9.064 -6.756 4.393 1.00 32.23 O ATOM 49 CG2 THR A 5 8.181 -4.950 3.056 1.00 53.45 C ATOM 0 H THR A 5 5.361 -4.615 4.485 1.00 12.54 H new ATOM 0 HA THR A 5 6.363 -7.218 4.903 1.00 74.23 H new ATOM 0 HB THR A 5 7.646 -7.012 2.910 1.00 71.41 H new ATOM 0 HG1 THR A 5 9.818 -6.812 3.769 1.00 32.23 H new ATOM 0 HG21 THR A 5 9.028 -5.039 2.376 1.00 53.45 H new ATOM 0 HG22 THR A 5 7.303 -4.620 2.501 1.00 53.45 H new ATOM 0 HG23 THR A 5 8.414 -4.221 3.832 1.00 53.45 H new ATOM 57 N GLY A 6 7.421 -6.306 6.982 1.00 24.13 N ATOM 58 CA GLY A 6 7.859 -5.748 8.247 1.00 71.40 C ATOM 59 C GLY A 6 9.363 -5.813 8.421 1.00 43.52 C ATOM 60 O GLY A 6 10.114 -5.542 7.484 1.00 52.21 O ATOM 0 H GLY A 6 7.338 -7.323 6.968 1.00 24.13 H new ATOM 0 HA2 GLY A 6 7.533 -4.710 8.315 1.00 71.40 H new ATOM 0 HA3 GLY A 6 7.378 -6.287 9.064 1.00 71.40 H new ATOM 64 N GLU A 7 9.804 -6.171 9.623 1.00 62.41 N ATOM 65 CA GLU A 7 11.229 -6.268 9.916 1.00 61.05 C ATOM 66 C GLU A 7 11.641 -7.720 10.143 1.00 62.33 C ATOM 67 O GLU A 7 10.793 -8.600 10.295 1.00 20.21 O ATOM 68 CB GLU A 7 11.578 -5.429 11.147 1.00 41.31 C ATOM 69 CG GLU A 7 11.096 -6.036 12.454 1.00 34.13 C ATOM 70 CD GLU A 7 10.970 -5.010 13.562 1.00 31.31 C ATOM 71 OE1 GLU A 7 10.174 -4.059 13.402 1.00 50.32 O ATOM 72 OE2 GLU A 7 11.663 -5.156 14.589 1.00 35.02 O1- ATOM 0 H GLU A 7 9.195 -6.398 10.409 1.00 62.41 H new ATOM 0 HA GLU A 7 11.777 -5.883 9.056 1.00 61.05 H new ATOM 0 HB2 GLU A 7 12.659 -5.299 11.193 1.00 41.31 H new ATOM 0 HB3 GLU A 7 11.143 -4.436 11.035 1.00 41.31 H new ATOM 0 HG2 GLU A 7 10.129 -6.513 12.294 1.00 34.13 H new ATOM 0 HG3 GLU A 7 11.789 -6.818 12.765 1.00 34.13 H new ATOM 79 N SER A 8 12.947 -7.963 10.165 1.00 11.13 N ATOM 80 CA SER A 8 13.472 -9.308 10.370 1.00 73.41 C ATOM 81 C SER A 8 14.955 -9.264 10.726 1.00 2.22 C ATOM 82 O SER A 8 15.563 -8.194 10.774 1.00 44.50 O ATOM 83 CB SER A 8 13.263 -10.155 9.114 1.00 62.10 C ATOM 84 OG SER A 8 13.192 -11.535 9.436 1.00 14.33 O ATOM 0 H SER A 8 13.662 -7.246 10.043 1.00 11.13 H new ATOM 0 HA SER A 8 12.930 -9.761 11.200 1.00 73.41 H new ATOM 0 HB2 SER A 8 12.345 -9.847 8.613 1.00 62.10 H new ATOM 0 HB3 SER A 8 14.081 -9.983 8.415 1.00 62.10 H new ATOM 0 HG SER A 8 13.787 -12.040 8.844 1.00 14.33 H new ATOM 90 N LYS A 9 15.531 -10.434 10.976 1.00 44.32 N ATOM 91 CA LYS A 9 16.943 -10.533 11.328 1.00 23.33 C ATOM 92 C LYS A 9 17.783 -10.892 10.107 1.00 33.34 C ATOM 93 O LYS A 9 18.841 -10.305 9.876 1.00 14.24 O ATOM 94 CB LYS A 9 17.144 -11.580 12.426 1.00 44.14 C ATOM 95 CG LYS A 9 16.467 -11.224 13.737 1.00 44.04 C ATOM 96 CD LYS A 9 16.107 -12.467 14.534 1.00 2.52 C ATOM 97 CE LYS A 9 16.111 -12.191 16.030 1.00 53.35 C ATOM 98 NZ LYS A 9 15.356 -13.228 16.788 1.00 32.34 N1+ ATOM 0 H LYS A 9 15.042 -11.328 10.942 1.00 44.32 H new ATOM 0 HA LYS A 9 17.269 -9.561 11.698 1.00 23.33 H new ATOM 0 HB2 LYS A 9 16.760 -12.539 12.077 1.00 44.14 H new ATOM 0 HB3 LYS A 9 18.212 -11.710 12.602 1.00 44.14 H new ATOM 0 HG2 LYS A 9 17.128 -10.590 14.328 1.00 44.04 H new ATOM 0 HG3 LYS A 9 15.565 -10.645 13.537 1.00 44.04 H new ATOM 0 HD2 LYS A 9 15.122 -12.822 14.231 1.00 2.52 H new ATOM 0 HD3 LYS A 9 16.816 -13.263 14.308 1.00 2.52 H new ATOM 0 HE2 LYS A 9 17.139 -12.155 16.390 1.00 53.35 H new ATOM 0 HE3 LYS A 9 15.672 -11.211 16.220 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 15.382 -13.004 17.803 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 14.368 -13.245 16.463 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 15.790 -14.160 16.628 1.00 32.34 H new ATOM 112 N CYS A 10 17.307 -11.859 9.330 1.00 72.52 N ATOM 113 CA CYS A 10 18.015 -12.295 8.131 1.00 50.34 C ATOM 114 C CYS A 10 18.364 -11.106 7.242 1.00 44.02 C ATOM 115 O CYS A 10 17.723 -10.055 7.289 1.00 44.02 O ATOM 116 CB CYS A 10 17.167 -13.301 7.352 1.00 33.40 C ATOM 117 SG CYS A 10 15.466 -12.762 7.060 1.00 22.45 S ATOM 0 H CYS A 10 16.434 -12.356 9.509 1.00 72.52 H new ATOM 0 HA CYS A 10 18.943 -12.776 8.441 1.00 50.34 H new ATOM 0 HB2 CYS A 10 17.645 -13.497 6.392 1.00 33.40 H new ATOM 0 HB3 CYS A 10 17.149 -14.245 7.897 1.00 33.40 H new ATOM 0 HG CYS A 10 14.893 -13.571 6.219 1.00 22.45 H new ATOM 123 N PRO A 11 19.404 -11.273 6.412 1.00 41.21 N ATOM 124 CA PRO A 11 19.862 -10.224 5.497 1.00 32.44 C ATOM 125 C PRO A 11 18.872 -9.970 4.364 1.00 33.11 C ATOM 126 O PRO A 11 18.742 -8.845 3.881 1.00 40.40 O ATOM 127 CB PRO A 11 21.175 -10.783 4.944 1.00 52.53 C ATOM 128 CG PRO A 11 21.039 -12.262 5.069 1.00 50.33 C ATOM 129 CD PRO A 11 20.213 -12.498 6.302 1.00 12.12 C ATOM 0 HA PRO A 11 19.971 -9.263 6.001 1.00 32.44 H new ATOM 0 HB2 PRO A 11 21.326 -10.486 3.906 1.00 52.53 H new ATOM 0 HB3 PRO A 11 22.031 -10.415 5.509 1.00 52.53 H new ATOM 0 HG2 PRO A 11 20.556 -12.685 4.188 1.00 50.33 H new ATOM 0 HG3 PRO A 11 22.016 -12.738 5.156 1.00 50.33 H new ATOM 0 HD2 PRO A 11 19.587 -13.385 6.202 1.00 12.12 H new ATOM 0 HD3 PRO A 11 20.839 -12.646 7.182 1.00 12.12 H new ATOM 137 N LEU A 12 18.177 -11.022 3.945 1.00 24.44 N ATOM 138 CA LEU A 12 17.199 -10.913 2.869 1.00 13.33 C ATOM 139 C LEU A 12 16.099 -11.958 3.025 1.00 62.23 C ATOM 140 O LEU A 12 16.324 -13.031 3.585 1.00 61.54 O ATOM 141 CB LEU A 12 17.884 -11.076 1.511 1.00 1.41 C ATOM 142 CG LEU A 12 18.122 -12.514 1.048 1.00 23.13 C ATOM 143 CD1 LEU A 12 18.744 -12.532 -0.340 1.00 43.24 C ATOM 144 CD2 LEU A 12 19.007 -13.255 2.040 1.00 3.34 C ATOM 0 H LEU A 12 18.273 -11.960 4.334 1.00 24.44 H new ATOM 0 HA LEU A 12 16.745 -9.923 2.923 1.00 13.33 H new ATOM 0 HB2 LEU A 12 17.280 -10.568 0.759 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.845 -10.563 1.547 1.00 1.41 H new ATOM 0 HG LEU A 12 17.159 -13.023 1.000 1.00 23.13 H new ATOM 0 HD11 LEU A 12 18.906 -13.564 -0.653 1.00 43.24 H new ATOM 0 HD12 LEU A 12 18.074 -12.040 -1.045 1.00 43.24 H new ATOM 0 HD13 LEU A 12 19.698 -12.005 -0.318 1.00 43.24 H new ATOM 0 HD21 LEU A 12 19.165 -14.276 1.694 1.00 3.34 H new ATOM 0 HD22 LEU A 12 19.968 -12.746 2.121 1.00 3.34 H new ATOM 0 HD23 LEU A 12 18.523 -13.274 3.016 1.00 3.34 H new ATOM 156 N MET A 13 14.910 -11.639 2.525 1.00 42.14 N ATOM 157 CA MET A 13 13.776 -12.551 2.606 1.00 33.41 C ATOM 158 C MET A 13 13.294 -12.946 1.213 1.00 40.04 C ATOM 159 O MET A 13 13.233 -12.114 0.308 1.00 53.03 O ATOM 160 CB MET A 13 12.631 -11.909 3.391 1.00 72.22 C ATOM 161 CG MET A 13 11.660 -12.917 3.984 1.00 31.44 C ATOM 162 SD MET A 13 10.020 -12.220 4.261 1.00 1.33 S ATOM 163 CE MET A 13 9.039 -13.200 3.128 1.00 15.23 C ATOM 0 H MET A 13 14.707 -10.755 2.059 1.00 42.14 H new ATOM 0 HA MET A 13 14.104 -13.451 3.127 1.00 33.41 H new ATOM 0 HB2 MET A 13 13.048 -11.302 4.195 1.00 72.22 H new ATOM 0 HB3 MET A 13 12.084 -11.234 2.733 1.00 72.22 H new ATOM 0 HG2 MET A 13 11.578 -13.774 3.315 1.00 31.44 H new ATOM 0 HG3 MET A 13 12.058 -13.287 4.929 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.026 -13.300 3.517 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.008 -12.709 2.155 1.00 15.23 H new ATOM 0 HE3 MET A 13 9.486 -14.188 3.021 1.00 15.23 H new ATOM 173 N VAL A 14 12.954 -14.220 1.048 1.00 0.34 N ATOM 174 CA VAL A 14 12.478 -14.724 -0.234 1.00 54.11 C ATOM 175 C VAL A 14 11.029 -15.190 -0.138 1.00 75.31 C ATOM 176 O VAL A 14 10.711 -16.113 0.611 1.00 44.51 O ATOM 177 CB VAL A 14 13.348 -15.891 -0.738 1.00 71.42 C ATOM 178 CG1 VAL A 14 12.896 -16.336 -2.121 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.816 -15.493 -0.750 1.00 54.20 C ATOM 0 H VAL A 14 12.999 -14.922 1.787 1.00 0.34 H new ATOM 0 HA VAL A 14 12.546 -13.898 -0.942 1.00 54.11 H new ATOM 0 HB VAL A 14 13.228 -16.732 -0.055 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.522 -17.161 -2.460 1.00 65.25 H new ATOM 0 HG12 VAL A 14 11.857 -16.663 -2.076 1.00 65.25 H new ATOM 0 HG13 VAL A 14 12.984 -15.503 -2.818 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.417 -16.329 -1.109 1.00 54.20 H new ATOM 0 HG22 VAL A 14 14.955 -14.637 -1.410 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.129 -15.228 0.260 1.00 54.20 H new ATOM 189 N LYS A 15 10.154 -14.544 -0.902 1.00 45.14 N ATOM 190 CA LYS A 15 8.738 -14.892 -0.904 1.00 34.42 C ATOM 191 C LYS A 15 8.349 -15.575 -2.211 1.00 3.44 C ATOM 192 O LYS A 15 8.388 -14.965 -3.279 1.00 33.44 O ATOM 193 CB LYS A 15 7.883 -13.639 -0.698 1.00 23.14 C ATOM 194 CG LYS A 15 6.425 -13.940 -0.395 1.00 20.51 C ATOM 195 CD LYS A 15 6.180 -14.063 1.100 1.00 21.44 C ATOM 196 CE LYS A 15 5.973 -12.701 1.744 1.00 61.00 C ATOM 197 NZ LYS A 15 5.442 -12.819 3.131 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.401 -13.777 -1.527 1.00 45.14 H new ATOM 0 HA LYS A 15 8.559 -15.586 -0.083 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.302 -13.054 0.121 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.939 -13.020 -1.593 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.797 -13.149 -0.804 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.133 -14.866 -0.890 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.304 -14.687 1.276 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.027 -14.563 1.569 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.919 -12.160 1.762 1.00 61.00 H new ATOM 0 HE3 LYS A 15 5.282 -12.114 1.139 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 5.658 -11.950 3.660 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.412 -12.957 3.098 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 5.885 -13.632 3.604 1.00 31.20 H new ATOM 211 N VAL A 16 7.970 -16.846 -2.118 1.00 43.13 N ATOM 212 CA VAL A 16 7.570 -17.613 -3.293 1.00 14.13 C ATOM 213 C VAL A 16 6.057 -17.786 -3.348 1.00 22.53 C ATOM 214 O VAL A 16 5.490 -18.616 -2.635 1.00 43.30 O ATOM 215 CB VAL A 16 8.236 -19.002 -3.310 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.877 -19.750 -4.584 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.745 -18.871 -3.166 1.00 0.34 C ATOM 0 H VAL A 16 7.931 -17.366 -1.242 1.00 43.13 H new ATOM 0 HA VAL A 16 7.900 -17.049 -4.166 1.00 14.13 H new ATOM 0 HB VAL A 16 7.862 -19.576 -2.462 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.356 -20.729 -4.579 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.796 -19.876 -4.640 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.221 -19.182 -5.448 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.199 -19.862 -3.180 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.139 -18.279 -3.992 1.00 0.34 H new ATOM 0 HG23 VAL A 16 9.979 -18.378 -2.222 1.00 0.34 H new ATOM 227 N LEU A 17 5.408 -16.998 -4.197 1.00 52.23 N ATOM 228 CA LEU A 17 3.958 -17.065 -4.346 1.00 52.32 C ATOM 229 C LEU A 17 3.576 -17.585 -5.728 1.00 63.31 C ATOM 230 O LEU A 17 4.359 -17.496 -6.674 1.00 71.44 O ATOM 231 CB LEU A 17 3.339 -15.684 -4.118 1.00 44.04 C ATOM 232 CG LEU A 17 2.556 -15.506 -2.816 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.370 -14.709 -1.810 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.222 -14.825 -3.085 1.00 53.44 C ATOM 0 H LEU A 17 5.862 -16.305 -4.793 1.00 52.23 H new ATOM 0 HA LEU A 17 3.571 -17.758 -3.599 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.137 -14.942 -4.143 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.673 -15.464 -4.952 1.00 44.04 H new ATOM 0 HG LEU A 17 2.359 -16.492 -2.394 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.798 -14.592 -0.890 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.299 -15.236 -1.595 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.598 -13.726 -2.223 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.678 -14.707 -2.148 1.00 53.44 H new ATOM 0 HD22 LEU A 17 1.397 -13.845 -3.529 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.634 -15.435 -3.771 1.00 53.44 H new ATOM 246 N ASP A 18 2.367 -18.125 -5.838 1.00 52.03 N ATOM 247 CA ASP A 18 1.879 -18.655 -7.105 1.00 1.53 C ATOM 248 C ASP A 18 0.956 -17.656 -7.794 1.00 31.30 C ATOM 249 O ASP A 18 0.066 -17.082 -7.167 1.00 2.31 O ATOM 250 CB ASP A 18 1.141 -19.977 -6.878 1.00 21.40 C ATOM 251 CG ASP A 18 1.128 -20.852 -8.116 1.00 31.11 C ATOM 252 OD1 ASP A 18 1.331 -20.315 -9.225 1.00 53.44 O ATOM 253 OD2 ASP A 18 0.916 -22.074 -7.975 1.00 31.41 O1- ATOM 0 H ASP A 18 1.707 -18.207 -5.065 1.00 52.03 H new ATOM 0 HA ASP A 18 2.739 -18.832 -7.751 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.615 -20.518 -6.059 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.116 -19.770 -6.572 1.00 21.40 H new ATOM 258 N ALA A 19 1.177 -17.449 -9.089 1.00 54.11 N ATOM 259 CA ALA A 19 0.365 -16.518 -9.863 1.00 4.04 C ATOM 260 C ALA A 19 -0.895 -17.197 -10.391 1.00 72.45 C ATOM 261 O ALA A 19 -1.882 -16.534 -10.707 1.00 54.10 O ATOM 262 CB ALA A 19 1.177 -15.941 -11.013 1.00 64.31 C ATOM 0 H ALA A 19 1.911 -17.913 -9.623 1.00 54.11 H new ATOM 0 HA ALA A 19 0.059 -15.705 -9.204 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.559 -15.247 -11.583 1.00 64.31 H new ATOM 0 HB2 ALA A 19 2.044 -15.413 -10.617 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.511 -16.749 -11.664 1.00 64.31 H new ATOM 268 N VAL A 20 -0.853 -18.523 -10.484 1.00 1.32 N ATOM 269 CA VAL A 20 -1.992 -19.290 -10.973 1.00 4.11 C ATOM 270 C VAL A 20 -2.962 -19.614 -9.842 1.00 34.21 C ATOM 271 O VAL A 20 -4.170 -19.712 -10.057 1.00 24.34 O ATOM 272 CB VAL A 20 -1.538 -20.603 -11.638 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.740 -21.472 -11.981 1.00 42.40 C ATOM 274 CG2 VAL A 20 -0.709 -20.313 -12.879 1.00 1.33 C ATOM 0 H VAL A 20 -0.043 -19.087 -10.227 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.497 -18.671 -11.714 1.00 4.11 H new ATOM 0 HB VAL A 20 -0.914 -21.150 -10.932 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.400 -22.395 -12.450 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.289 -21.709 -11.070 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.393 -20.935 -12.669 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.397 -21.252 -13.336 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.307 -19.744 -13.591 1.00 1.33 H new ATOM 0 HG23 VAL A 20 0.172 -19.734 -12.601 1.00 1.33 H new ATOM 284 N ARG A 21 -2.426 -19.780 -8.638 1.00 70.43 N ATOM 285 CA ARG A 21 -3.244 -20.094 -7.474 1.00 40.24 C ATOM 286 C ARG A 21 -3.431 -18.863 -6.592 1.00 25.13 C ATOM 287 O ARG A 21 -4.384 -18.779 -5.818 1.00 25.45 O ATOM 288 CB ARG A 21 -2.603 -21.222 -6.662 1.00 54.04 C ATOM 289 CG ARG A 21 -2.050 -22.350 -7.519 1.00 23.13 C ATOM 290 CD ARG A 21 -1.324 -23.385 -6.675 1.00 70.24 C ATOM 291 NE ARG A 21 -2.249 -24.328 -6.052 1.00 32.25 N ATOM 292 CZ ARG A 21 -2.793 -24.143 -4.854 1.00 13.33 C ATOM 293 NH1 ARG A 21 -2.506 -23.054 -4.154 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -3.625 -25.047 -4.355 1.00 42.11 N ATOM 0 H ARG A 21 -1.428 -19.702 -8.443 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.222 -20.419 -7.827 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.797 -20.809 -6.055 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.344 -21.629 -5.974 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.865 -22.829 -8.063 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.367 -21.942 -8.263 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.616 -23.930 -7.299 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.745 -22.881 -5.902 1.00 70.24 H new ATOM 0 HE ARG A 21 -2.491 -25.176 -6.565 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -1.867 -22.357 -4.535 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -2.925 -22.914 -3.235 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.848 -25.886 -4.891 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -4.042 -24.904 -3.435 1.00 42.11 H new ATOM 308 N GLY A 22 -2.514 -17.908 -6.716 1.00 14.01 N ATOM 309 CA GLY A 22 -2.595 -16.694 -5.925 1.00 71.33 C ATOM 310 C GLY A 22 -2.278 -16.934 -4.462 1.00 55.30 C ATOM 311 O GLY A 22 -2.683 -16.156 -3.597 1.00 35.44 O ATOM 0 H GLY A 22 -1.716 -17.954 -7.350 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -1.902 -15.955 -6.327 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.597 -16.273 -6.012 1.00 71.33 H new ATOM 315 N SER A 23 -1.552 -18.012 -4.184 1.00 52.31 N ATOM 316 CA SER A 23 -1.185 -18.354 -2.815 1.00 31.20 C ATOM 317 C SER A 23 0.284 -18.757 -2.731 1.00 73.43 C ATOM 318 O SER A 23 0.914 -19.118 -3.726 1.00 43.22 O ATOM 319 CB SER A 23 -2.068 -19.491 -2.297 1.00 51.44 C ATOM 320 OG SER A 23 -3.233 -18.985 -1.667 1.00 24.23 O ATOM 0 H SER A 23 -1.206 -18.663 -4.889 1.00 52.31 H new ATOM 0 HA SER A 23 -1.338 -17.472 -2.193 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.351 -20.142 -3.124 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.504 -20.101 -1.591 1.00 51.44 H new ATOM 0 HG SER A 23 -3.782 -19.731 -1.346 1.00 24.23 H new ATOM 326 N PRO A 24 0.845 -18.695 -1.514 1.00 13.40 N ATOM 327 CA PRO A 24 2.246 -19.051 -1.270 1.00 34.35 C ATOM 328 C PRO A 24 2.499 -20.546 -1.419 1.00 53.53 C ATOM 329 O PRO A 24 1.710 -21.369 -0.954 1.00 40.42 O ATOM 330 CB PRO A 24 2.476 -18.611 0.178 1.00 12.41 C ATOM 331 CG PRO A 24 1.124 -18.646 0.804 1.00 62.31 C ATOM 332 CD PRO A 24 0.155 -18.275 -0.284 1.00 53.31 C ATOM 0 HA PRO A 24 2.918 -18.577 -1.986 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.167 -19.281 0.690 1.00 12.41 H new ATOM 0 HB3 PRO A 24 2.908 -17.611 0.224 1.00 12.41 H new ATOM 0 HG2 PRO A 24 0.904 -19.637 1.202 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.062 -17.946 1.638 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.799 -18.788 -0.164 1.00 53.31 H new ATOM 0 HD3 PRO A 24 -0.056 -17.206 -0.287 1.00 53.31 H new ATOM 340 N ALA A 25 3.606 -20.894 -2.068 1.00 24.51 N ATOM 341 CA ALA A 25 3.964 -22.292 -2.275 1.00 10.44 C ATOM 342 C ALA A 25 4.658 -22.868 -1.046 1.00 33.45 C ATOM 343 O ALA A 25 5.345 -22.152 -0.317 1.00 43.13 O ATOM 344 CB ALA A 25 4.853 -22.432 -3.502 1.00 61.41 C ATOM 0 H ALA A 25 4.270 -20.226 -2.459 1.00 24.51 H new ATOM 0 HA ALA A 25 3.047 -22.857 -2.439 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.113 -23.481 -3.645 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.321 -22.067 -4.380 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.763 -21.849 -3.361 1.00 61.41 H new ATOM 350 N ILE A 26 4.474 -24.165 -0.822 1.00 22.35 N ATOM 351 CA ILE A 26 5.084 -24.837 0.319 1.00 34.21 C ATOM 352 C ILE A 26 6.204 -25.770 -0.128 1.00 14.43 C ATOM 353 O ILE A 26 6.111 -26.413 -1.172 1.00 25.11 O ATOM 354 CB ILE A 26 4.044 -25.646 1.117 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.086 -24.704 1.849 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.738 -26.574 2.102 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.042 -25.426 2.672 1.00 11.52 C ATOM 0 H ILE A 26 3.908 -24.771 -1.415 1.00 22.35 H new ATOM 0 HA ILE A 26 5.497 -24.059 0.961 1.00 34.21 H new ATOM 0 HB ILE A 26 3.466 -26.253 0.421 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.662 -24.048 2.502 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.586 -24.068 1.119 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.990 -27.139 2.658 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.384 -27.264 1.559 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.338 -25.985 2.796 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.398 -24.697 3.163 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.441 -26.061 2.021 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.534 -26.041 3.426 1.00 11.52 H new ATOM 369 N ASN A 27 7.263 -25.839 0.673 1.00 12.42 N ATOM 370 CA ASN A 27 8.402 -26.695 0.362 1.00 73.32 C ATOM 371 C ASN A 27 9.016 -26.316 -0.982 1.00 13.34 C ATOM 372 O ASN A 27 9.239 -27.171 -1.839 1.00 65.22 O ATOM 373 CB ASN A 27 7.972 -28.164 0.342 1.00 73.52 C ATOM 374 CG ASN A 27 7.845 -28.747 1.736 1.00 73.20 C ATOM 375 OD1 ASN A 27 7.384 -27.932 2.679 1.00 43.32 O flip ATOM 376 ND2 ASN A 27 8.157 -29.916 1.963 1.00 31.42 N flip ATOM 0 H ASN A 27 7.356 -25.313 1.542 1.00 12.42 H new ATOM 0 HA ASN A 27 9.154 -26.553 1.138 1.00 73.32 H new ATOM 0 HB2 ASN A 27 7.016 -28.253 -0.175 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.698 -28.745 -0.227 1.00 73.52 H new ATOM 0 HD21 ASN A 27 8.507 -30.506 1.208 1.00 31.42 H new ATOM 0 HD22 ASN A 27 8.066 -30.294 2.906 1.00 31.42 H new ATOM 383 N VAL A 28 9.289 -25.026 -1.159 1.00 10.34 N ATOM 384 CA VAL A 28 9.880 -24.533 -2.398 1.00 3.15 C ATOM 385 C VAL A 28 11.401 -24.505 -2.309 1.00 50.12 C ATOM 386 O VAL A 28 11.982 -23.577 -1.745 1.00 52.30 O ATOM 387 CB VAL A 28 9.369 -23.120 -2.739 1.00 72.20 C ATOM 388 CG1 VAL A 28 10.114 -22.559 -3.940 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.870 -23.143 -2.993 1.00 33.20 C ATOM 0 H VAL A 28 9.110 -24.305 -0.460 1.00 10.34 H new ATOM 0 HA VAL A 28 9.579 -25.221 -3.188 1.00 3.15 H new ATOM 0 HB VAL A 28 9.559 -22.467 -1.887 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.740 -21.561 -4.166 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.179 -22.505 -3.715 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.958 -23.209 -4.801 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.526 -22.137 -3.232 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.653 -23.809 -3.828 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.355 -23.500 -2.101 1.00 33.20 H new ATOM 399 N ALA A 29 12.040 -25.526 -2.867 1.00 21.11 N ATOM 400 CA ALA A 29 13.495 -25.617 -2.854 1.00 13.43 C ATOM 401 C ALA A 29 14.129 -24.363 -3.445 1.00 73.30 C ATOM 402 O ALA A 29 14.061 -24.130 -4.651 1.00 24.22 O ATOM 403 CB ALA A 29 13.954 -26.852 -3.614 1.00 1.22 C ATOM 0 H ALA A 29 11.573 -26.303 -3.335 1.00 21.11 H new ATOM 0 HA ALA A 29 13.819 -25.702 -1.817 1.00 13.43 H new ATOM 0 HB1 ALA A 29 15.042 -26.907 -3.596 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.538 -27.744 -3.145 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.611 -26.792 -4.647 1.00 1.22 H new ATOM 409 N VAL A 30 14.747 -23.557 -2.586 1.00 52.51 N ATOM 410 CA VAL A 30 15.394 -22.326 -3.024 1.00 62.05 C ATOM 411 C VAL A 30 16.878 -22.332 -2.676 1.00 64.44 C ATOM 412 O VAL A 30 17.275 -22.802 -1.609 1.00 3.33 O ATOM 413 CB VAL A 30 14.733 -21.088 -2.388 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.345 -19.811 -2.943 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.230 -21.111 -2.614 1.00 50.55 C ATOM 0 H VAL A 30 14.813 -23.735 -1.584 1.00 52.51 H new ATOM 0 HA VAL A 30 15.278 -22.275 -4.107 1.00 62.05 H new ATOM 0 HB VAL A 30 14.916 -21.112 -1.314 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.865 -18.947 -2.482 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.412 -19.794 -2.723 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.196 -19.775 -4.022 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.780 -20.229 -2.158 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.023 -21.112 -3.684 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.808 -22.009 -2.162 1.00 50.55 H new ATOM 425 N HIS A 31 17.695 -21.805 -3.583 1.00 4.33 N ATOM 426 CA HIS A 31 19.137 -21.749 -3.372 1.00 20.44 C ATOM 427 C HIS A 31 19.673 -20.349 -3.657 1.00 70.41 C ATOM 428 O HIS A 31 19.133 -19.624 -4.493 1.00 62.13 O ATOM 429 CB HIS A 31 19.844 -22.769 -4.264 1.00 42.03 C ATOM 430 CG HIS A 31 19.131 -24.084 -4.353 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.548 -24.841 -3.394 1.00 72.51 N flip ATOM 432 CD2 HIS A 31 18.957 -24.766 -5.538 1.00 21.01 C flip ATOM 433 CE1 HIS A 31 18.036 -25.955 -4.012 1.00 63.14 C flip ATOM 434 NE2 HIS A 31 18.295 -25.886 -5.305 1.00 23.04 N flip ATOM 0 H HIS A 31 17.383 -21.411 -4.471 1.00 4.33 H new ATOM 0 HA HIS A 31 19.337 -21.991 -2.328 1.00 20.44 H new ATOM 0 HB2 HIS A 31 19.948 -22.353 -5.266 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.851 -22.936 -3.883 1.00 42.03 H new ATOM 0 HD1 HIS A 31 18.498 -24.624 -2.399 1.00 72.51 H new ATOM 0 HD2 HIS A 31 19.307 -24.437 -6.505 1.00 21.01 H new ATOM 0 HE1 HIS A 31 17.507 -26.758 -3.520 1.00 63.14 H new ATOM 442 N VAL A 32 20.738 -19.974 -2.954 1.00 33.14 N ATOM 443 CA VAL A 32 21.347 -18.661 -3.132 1.00 13.25 C ATOM 444 C VAL A 32 22.856 -18.775 -3.312 1.00 62.02 C ATOM 445 O VAL A 32 23.542 -19.406 -2.508 1.00 63.22 O ATOM 446 CB VAL A 32 21.053 -17.740 -1.934 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.453 -16.307 -2.251 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.583 -17.818 -1.549 1.00 30.45 C ATOM 0 H VAL A 32 21.196 -20.561 -2.257 1.00 33.14 H new ATOM 0 HA VAL A 32 20.908 -18.228 -4.031 1.00 13.25 H new ATOM 0 HB VAL A 32 21.646 -18.079 -1.085 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.238 -15.671 -1.393 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.519 -16.268 -2.474 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.889 -15.954 -3.114 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.394 -17.161 -0.700 1.00 30.45 H new ATOM 0 HG22 VAL A 32 18.969 -17.506 -2.394 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.332 -18.843 -1.277 1.00 30.45 H new ATOM 458 N PHE A 33 23.368 -18.161 -4.374 1.00 14.51 N ATOM 459 CA PHE A 33 24.798 -18.194 -4.660 1.00 10.33 C ATOM 460 C PHE A 33 25.357 -16.782 -4.804 1.00 51.44 C ATOM 461 O PHE A 33 24.613 -15.830 -5.042 1.00 61.13 O ATOM 462 CB PHE A 33 25.064 -18.992 -5.939 1.00 54.22 C ATOM 463 CG PHE A 33 24.672 -20.438 -5.836 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.337 -20.810 -5.852 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.637 -21.426 -5.722 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.974 -22.140 -5.757 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.280 -22.757 -5.626 1.00 51.24 C ATOM 468 CZ PHE A 33 23.945 -23.115 -5.645 1.00 15.51 C ATOM 0 H PHE A 33 22.814 -17.635 -5.050 1.00 14.51 H new ATOM 0 HA PHE A 33 25.300 -18.681 -3.824 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.518 -18.534 -6.764 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.124 -18.928 -6.184 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.572 -20.052 -5.940 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.682 -21.152 -5.708 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.930 -22.417 -5.770 1.00 31.23 H new ATOM 0 HE2 PHE A 33 26.043 -23.517 -5.536 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.662 -24.155 -5.572 1.00 15.51 H new ATOM 478 N ARG A 34 26.671 -16.654 -4.657 1.00 32.15 N ATOM 479 CA ARG A 34 27.330 -15.358 -4.767 1.00 13.44 C ATOM 480 C ARG A 34 28.361 -15.367 -5.891 1.00 21.02 C ATOM 481 O ARG A 34 28.986 -16.393 -6.168 1.00 3.34 O ATOM 482 CB ARG A 34 28.005 -14.991 -3.444 1.00 72.25 C ATOM 483 CG ARG A 34 29.314 -15.725 -3.205 1.00 3.34 C ATOM 484 CD ARG A 34 29.694 -15.721 -1.732 1.00 53.42 C ATOM 485 NE ARG A 34 31.137 -15.607 -1.539 1.00 31.04 N ATOM 486 CZ ARG A 34 31.698 -15.216 -0.400 1.00 34.30 C ATOM 487 NH1 ARG A 34 30.941 -14.904 0.643 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 33.019 -15.137 -0.302 1.00 2.43 N ATOM 0 H ARG A 34 27.301 -17.432 -4.461 1.00 32.15 H new ATOM 0 HA ARG A 34 26.571 -14.611 -4.999 1.00 13.44 H new ATOM 0 HB2 ARG A 34 28.192 -13.917 -3.427 1.00 72.25 H new ATOM 0 HB3 ARG A 34 27.321 -15.209 -2.624 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.225 -16.753 -3.556 1.00 3.34 H new ATOM 0 HG3 ARG A 34 30.107 -15.256 -3.788 1.00 3.34 H new ATOM 0 HD2 ARG A 34 29.195 -14.892 -1.231 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.337 -16.638 -1.263 1.00 53.42 H new ATOM 0 HE ARG A 34 31.748 -15.840 -2.322 1.00 31.04 H new ATOM 0 HH11 ARG A 34 29.925 -14.964 0.572 1.00 44.53 H new ATOM 0 HH12 ARG A 34 31.374 -14.604 1.516 1.00 44.53 H new ATOM 0 HH21 ARG A 34 33.605 -15.377 -1.102 1.00 2.43 H new ATOM 0 HH22 ARG A 34 33.448 -14.837 0.573 1.00 2.43 H new ATOM 502 N LYS A 35 28.535 -14.219 -6.537 1.00 54.20 N ATOM 503 CA LYS A 35 29.491 -14.093 -7.631 1.00 73.31 C ATOM 504 C LYS A 35 30.911 -13.937 -7.098 1.00 71.34 C ATOM 505 O LYS A 35 31.261 -12.902 -6.532 1.00 63.22 O ATOM 506 CB LYS A 35 29.132 -12.896 -8.513 1.00 24.12 C ATOM 507 CG LYS A 35 30.230 -12.505 -9.486 1.00 14.42 C ATOM 508 CD LYS A 35 30.622 -13.669 -10.382 1.00 34.13 C ATOM 509 CE LYS A 35 29.631 -13.854 -11.520 1.00 42.22 C ATOM 510 NZ LYS A 35 29.678 -15.235 -12.077 1.00 53.31 N1+ ATOM 0 H LYS A 35 28.026 -13.362 -6.322 1.00 54.20 H new ATOM 0 HA LYS A 35 29.444 -15.004 -8.228 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.227 -13.128 -9.074 1.00 24.12 H new ATOM 0 HB3 LYS A 35 28.902 -12.042 -7.876 1.00 24.12 H new ATOM 0 HG2 LYS A 35 29.893 -11.670 -10.100 1.00 14.42 H new ATOM 0 HG3 LYS A 35 31.103 -12.161 -8.932 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.618 -13.496 -10.790 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.674 -14.583 -9.791 1.00 34.13 H new ATOM 0 HE2 LYS A 35 28.624 -13.641 -11.163 1.00 42.22 H new ATOM 0 HE3 LYS A 35 29.848 -13.136 -12.311 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.709 -15.577 -12.240 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 30.199 -15.229 -12.977 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 30.159 -15.865 -11.403 1.00 53.31 H new ATOM 524 N ALA A 36 31.724 -14.971 -7.283 1.00 33.44 N ATOM 525 CA ALA A 36 33.108 -14.947 -6.823 1.00 70.02 C ATOM 526 C ALA A 36 33.960 -14.030 -7.694 1.00 20.11 C ATOM 527 O ALA A 36 33.450 -13.365 -8.596 1.00 35.22 O ATOM 528 CB ALA A 36 33.685 -16.354 -6.813 1.00 3.22 C ATOM 0 H ALA A 36 31.449 -15.836 -7.748 1.00 33.44 H new ATOM 0 HA ALA A 36 33.120 -14.554 -5.806 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.718 -16.321 -6.468 1.00 3.22 H new ATOM 0 HB2 ALA A 36 33.098 -16.983 -6.143 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.652 -16.768 -7.821 1.00 3.22 H new ATOM 534 N ALA A 37 35.260 -13.998 -7.419 1.00 24.23 N ATOM 535 CA ALA A 37 36.182 -13.163 -8.178 1.00 41.33 C ATOM 536 C ALA A 37 36.634 -13.865 -9.454 1.00 62.24 C ATOM 537 O ALA A 37 37.361 -13.292 -10.265 1.00 15.13 O ATOM 538 CB ALA A 37 37.384 -12.792 -7.323 1.00 20.34 C ATOM 0 H ALA A 37 35.698 -14.541 -6.675 1.00 24.23 H new ATOM 0 HA ALA A 37 35.657 -12.251 -8.462 1.00 41.33 H new ATOM 0 HB1 ALA A 37 38.064 -12.168 -7.903 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.049 -12.243 -6.443 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.901 -13.699 -7.010 1.00 20.34 H new ATOM 544 N ASP A 38 36.200 -15.110 -9.624 1.00 62.14 N ATOM 545 CA ASP A 38 36.560 -15.891 -10.802 1.00 4.12 C ATOM 546 C ASP A 38 35.390 -15.977 -11.776 1.00 0.42 C ATOM 547 O ASP A 38 35.314 -16.896 -12.592 1.00 23.13 O ATOM 548 CB ASP A 38 37.004 -17.296 -10.393 1.00 0.10 C ATOM 549 CG ASP A 38 38.096 -17.843 -11.291 1.00 65.21 C ATOM 550 OD1 ASP A 38 39.166 -17.207 -11.377 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.880 -18.907 -11.908 1.00 5.41 O ATOM 0 H ASP A 38 35.599 -15.599 -8.961 1.00 62.14 H new ATOM 0 HA ASP A 38 37.388 -15.388 -11.301 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.361 -17.276 -9.363 1.00 0.10 H new ATOM 0 HB3 ASP A 38 36.146 -17.967 -10.420 1.00 0.10 H new ATOM 556 N ASP A 39 34.479 -15.014 -11.685 1.00 22.23 N ATOM 557 CA ASP A 39 33.312 -14.980 -12.559 1.00 13.11 C ATOM 558 C ASP A 39 32.476 -16.246 -12.396 1.00 31.25 C ATOM 559 O ASP A 39 31.875 -16.734 -13.355 1.00 44.13 O ATOM 560 CB ASP A 39 33.743 -14.822 -14.017 1.00 2.13 C ATOM 561 CG ASP A 39 34.448 -13.504 -14.272 1.00 55.52 C ATOM 562 OD1 ASP A 39 35.675 -13.436 -14.052 1.00 22.43 O ATOM 563 OD2 ASP A 39 33.772 -12.540 -14.691 1.00 75.13 O1- ATOM 0 H ASP A 39 34.526 -14.247 -11.015 1.00 22.23 H new ATOM 0 HA ASP A 39 32.701 -14.123 -12.276 1.00 13.11 H new ATOM 0 HB2 ASP A 39 34.406 -15.644 -14.288 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.867 -14.893 -14.662 1.00 2.13 H new ATOM 568 N THR A 40 32.442 -16.776 -11.178 1.00 30.11 N ATOM 569 CA THR A 40 31.683 -17.987 -10.890 1.00 25.33 C ATOM 570 C THR A 40 30.684 -17.755 -9.763 1.00 51.15 C ATOM 571 O THR A 40 30.734 -16.733 -9.077 1.00 63.30 O ATOM 572 CB THR A 40 32.611 -19.155 -10.508 1.00 62.55 C ATOM 573 OG1 THR A 40 33.310 -18.848 -9.296 1.00 73.04 O ATOM 574 CG2 THR A 40 33.611 -19.438 -11.618 1.00 33.22 C ATOM 0 H THR A 40 32.932 -16.385 -10.373 1.00 30.11 H new ATOM 0 HA THR A 40 31.144 -18.246 -11.801 1.00 25.33 H new ATOM 0 HB THR A 40 31.998 -20.044 -10.359 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.897 -19.596 -9.058 1.00 73.04 H new ATOM 0 HG21 THR A 40 34.255 -20.267 -11.325 1.00 33.22 H new ATOM 0 HG22 THR A 40 33.077 -19.699 -12.531 1.00 33.22 H new ATOM 0 HG23 THR A 40 34.219 -18.551 -11.795 1.00 33.22 H new ATOM 582 N TRP A 41 29.779 -18.708 -9.575 1.00 51.02 N ATOM 583 CA TRP A 41 28.768 -18.607 -8.529 1.00 63.44 C ATOM 584 C TRP A 41 29.029 -19.621 -7.420 1.00 42.43 C ATOM 585 O TRP A 41 28.961 -20.829 -7.644 1.00 72.23 O ATOM 586 CB TRP A 41 27.373 -18.823 -9.116 1.00 61.33 C ATOM 587 CG TRP A 41 27.041 -17.871 -10.225 1.00 74.13 C ATOM 588 CD1 TRP A 41 27.074 -18.132 -11.566 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.630 -16.506 -10.090 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.707 -17.011 -12.271 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.429 -16.001 -11.389 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.409 -15.664 -8.998 1.00 51.42 C ATOM 593 CZ2 TRP A 41 26.019 -14.691 -11.622 1.00 72.03 C ATOM 594 CZ3 TRP A 41 26.004 -14.364 -9.231 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.811 -13.887 -10.534 1.00 4.00 C ATOM 0 H TRP A 41 29.724 -19.560 -10.133 1.00 51.02 H new ATOM 0 HA TRP A 41 28.823 -17.606 -8.101 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.298 -19.844 -9.489 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.633 -18.718 -8.323 1.00 61.33 H new ATOM 0 HD1 TRP A 41 27.348 -19.079 -12.007 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.651 -16.942 -13.287 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.552 -16.023 -7.989 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.870 -14.322 -12.626 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 25.833 -13.704 -8.394 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.492 -12.866 -10.683 1.00 4.00 H new ATOM 606 N GLU A 42 29.329 -19.122 -6.224 1.00 14.31 N ATOM 607 CA GLU A 42 29.600 -19.986 -5.082 1.00 22.31 C ATOM 608 C GLU A 42 28.361 -20.134 -4.205 1.00 30.22 C ATOM 609 O GLU A 42 27.447 -19.308 -4.233 1.00 23.11 O ATOM 610 CB GLU A 42 30.760 -19.427 -4.256 1.00 42.11 C ATOM 611 CG GLU A 42 32.129 -19.832 -4.776 1.00 72.32 C ATOM 612 CD GLU A 42 33.105 -20.152 -3.661 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.039 -19.488 -2.606 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 33.937 -21.066 -3.843 1.00 22.45 O ATOM 0 H GLU A 42 29.390 -18.124 -6.022 1.00 14.31 H new ATOM 0 HA GLU A 42 29.874 -20.971 -5.461 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.693 -18.339 -4.242 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.657 -19.766 -3.225 1.00 42.11 H new ATOM 0 HG2 GLU A 42 32.025 -20.703 -5.423 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.534 -19.026 -5.388 1.00 72.32 H new ATOM 621 N PRO A 43 28.327 -21.210 -3.405 1.00 55.32 N ATOM 622 CA PRO A 43 27.206 -21.493 -2.505 1.00 0.45 C ATOM 623 C PRO A 43 27.133 -20.506 -1.343 1.00 61.23 C ATOM 624 O PRO A 43 28.068 -20.399 -0.549 1.00 55.41 O ATOM 625 CB PRO A 43 27.509 -22.903 -1.992 1.00 61.34 C ATOM 626 CG PRO A 43 28.987 -23.039 -2.112 1.00 40.42 C ATOM 627 CD PRO A 43 29.381 -22.235 -3.320 1.00 75.22 C ATOM 0 HA PRO A 43 26.245 -21.408 -3.011 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.182 -23.028 -0.960 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.992 -23.659 -2.583 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.487 -22.669 -1.217 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.274 -24.084 -2.228 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.368 -21.788 -3.201 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.416 -22.851 -4.219 1.00 75.22 H new ATOM 635 N PHE A 44 26.019 -19.790 -1.250 1.00 1.12 N ATOM 636 CA PHE A 44 25.825 -18.812 -0.185 1.00 62.35 C ATOM 637 C PHE A 44 24.844 -19.334 0.861 1.00 72.22 C ATOM 638 O PHE A 44 25.164 -19.404 2.046 1.00 41.04 O ATOM 639 CB PHE A 44 25.315 -17.491 -0.765 1.00 22.21 C ATOM 640 CG PHE A 44 25.108 -16.424 0.272 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.178 -15.930 1.000 1.00 54.50 C ATOM 642 CD2 PHE A 44 23.843 -15.914 0.517 1.00 44.44 C ATOM 643 CE1 PHE A 44 25.989 -14.948 1.955 1.00 13.33 C ATOM 644 CE2 PHE A 44 23.648 -14.932 1.469 1.00 23.30 C ATOM 645 CZ PHE A 44 24.723 -14.447 2.188 1.00 2.44 C ATOM 0 H PHE A 44 25.236 -19.868 -1.899 1.00 1.12 H new ATOM 0 HA PHE A 44 26.787 -18.642 0.298 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.026 -17.131 -1.509 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.373 -17.670 -1.284 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.170 -16.316 0.820 1.00 54.50 H new ATOM 0 HD2 PHE A 44 22.999 -16.289 -0.043 1.00 44.44 H new ATOM 0 HE1 PHE A 44 26.831 -14.573 2.518 1.00 13.33 H new ATOM 0 HE2 PHE A 44 22.657 -14.544 1.651 1.00 23.30 H new ATOM 0 HZ PHE A 44 24.574 -13.677 2.931 1.00 2.44 H new ATOM 655 N ALA A 45 23.647 -19.700 0.410 1.00 74.54 N ATOM 656 CA ALA A 45 22.621 -20.217 1.306 1.00 71.13 C ATOM 657 C ALA A 45 21.603 -21.062 0.546 1.00 63.11 C ATOM 658 O ALA A 45 21.671 -21.178 -0.678 1.00 0.42 O ATOM 659 CB ALA A 45 21.923 -19.072 2.027 1.00 14.12 C ATOM 0 H ALA A 45 23.366 -19.648 -0.569 1.00 74.54 H new ATOM 0 HA ALA A 45 23.107 -20.855 2.044 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.159 -19.473 2.693 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.653 -18.510 2.609 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.456 -18.412 1.296 1.00 14.12 H new ATOM 665 N SER A 46 20.664 -21.651 1.278 1.00 60.52 N ATOM 666 CA SER A 46 19.636 -22.490 0.673 1.00 52.32 C ATOM 667 C SER A 46 18.562 -22.855 1.694 1.00 40.50 C ATOM 668 O SER A 46 18.835 -22.958 2.888 1.00 65.02 O ATOM 669 CB SER A 46 20.261 -23.761 0.095 1.00 70.12 C ATOM 670 OG SER A 46 19.333 -24.833 0.101 1.00 13.53 O ATOM 0 H SER A 46 20.593 -21.563 2.292 1.00 60.52 H new ATOM 0 HA SER A 46 19.168 -21.925 -0.133 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.598 -23.573 -0.924 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.141 -24.034 0.677 1.00 70.12 H new ATOM 0 HG SER A 46 19.756 -25.634 -0.275 1.00 13.53 H new ATOM 676 N GLY A 47 17.339 -23.049 1.211 1.00 11.14 N ATOM 677 CA GLY A 47 16.241 -23.400 2.093 1.00 1.53 C ATOM 678 C GLY A 47 14.924 -23.535 1.356 1.00 63.12 C ATOM 679 O GLY A 47 14.851 -23.293 0.150 1.00 62.23 O ATOM 0 H GLY A 47 17.089 -22.970 0.225 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.470 -24.339 2.596 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.144 -22.639 2.867 1.00 1.53 H new ATOM 683 N LYS A 48 13.879 -23.925 2.079 1.00 51.41 N ATOM 684 CA LYS A 48 12.558 -24.092 1.485 1.00 3.33 C ATOM 685 C LYS A 48 11.552 -23.138 2.121 1.00 14.54 C ATOM 686 O LYS A 48 11.788 -22.598 3.202 1.00 53.10 O ATOM 687 CB LYS A 48 12.081 -25.537 1.652 1.00 54.50 C ATOM 688 CG LYS A 48 12.945 -26.550 0.921 1.00 35.21 C ATOM 689 CD LYS A 48 12.499 -27.974 1.211 1.00 13.00 C ATOM 690 CE LYS A 48 13.471 -28.991 0.630 1.00 55.05 C ATOM 691 NZ LYS A 48 13.015 -30.389 0.862 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.922 -24.131 3.077 1.00 51.41 H new ATOM 0 HA LYS A 48 12.632 -23.860 0.423 1.00 3.33 H new ATOM 0 HB2 LYS A 48 12.064 -25.785 2.713 1.00 54.50 H new ATOM 0 HB3 LYS A 48 11.056 -25.617 1.289 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.897 -26.364 -0.152 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.986 -26.425 1.220 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.419 -28.119 2.288 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.506 -28.138 0.793 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.581 -28.818 -0.441 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.455 -28.851 1.078 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.704 -31.051 0.452 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 12.934 -30.563 1.884 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 12.088 -30.531 0.412 1.00 60.34 H new ATOM 705 N THR A 49 10.427 -22.933 1.441 1.00 35.43 N ATOM 706 CA THR A 49 9.385 -22.044 1.939 1.00 51.31 C ATOM 707 C THR A 49 8.329 -22.818 2.720 1.00 3.20 C ATOM 708 O THR A 49 8.315 -24.048 2.711 1.00 55.41 O ATOM 709 CB THR A 49 8.700 -21.281 0.789 1.00 40.10 C ATOM 710 OG1 THR A 49 7.923 -22.186 -0.004 1.00 34.44 O ATOM 711 CG2 THR A 49 9.730 -20.587 -0.089 1.00 72.54 C ATOM 0 H THR A 49 10.215 -23.371 0.544 1.00 35.43 H new ATOM 0 HA THR A 49 9.871 -21.328 2.602 1.00 51.31 H new ATOM 0 HB THR A 49 8.046 -20.524 1.223 1.00 40.10 H new ATOM 0 HG1 THR A 49 6.977 -21.935 0.045 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.223 -20.055 -0.894 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.301 -19.878 0.511 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.405 -21.330 -0.514 1.00 72.54 H new ATOM 719 N SER A 50 7.446 -22.087 3.394 1.00 13.14 N ATOM 720 CA SER A 50 6.388 -22.706 4.184 1.00 23.01 C ATOM 721 C SER A 50 5.013 -22.266 3.690 1.00 61.40 C ATOM 722 O SER A 50 4.886 -21.689 2.610 1.00 4.13 O ATOM 723 CB SER A 50 6.549 -22.347 5.662 1.00 14.25 C ATOM 724 OG SER A 50 7.911 -22.393 6.053 1.00 22.21 O ATOM 0 H SER A 50 7.442 -21.067 3.409 1.00 13.14 H new ATOM 0 HA SER A 50 6.468 -23.787 4.069 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.149 -21.349 5.843 1.00 14.25 H new ATOM 0 HB3 SER A 50 5.969 -23.039 6.273 1.00 14.25 H new ATOM 0 HG SER A 50 7.987 -22.158 7.001 1.00 22.21 H new ATOM 730 N GLU A 51 3.987 -22.543 4.489 1.00 40.23 N ATOM 731 CA GLU A 51 2.622 -22.176 4.132 1.00 60.32 C ATOM 732 C GLU A 51 2.502 -20.670 3.913 1.00 42.55 C ATOM 733 O GLU A 51 1.563 -20.198 3.273 1.00 73.13 O ATOM 734 CB GLU A 51 1.648 -22.623 5.225 1.00 71.34 C ATOM 735 CG GLU A 51 2.124 -22.303 6.631 1.00 5.20 C ATOM 736 CD GLU A 51 1.078 -21.573 7.450 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.051 -22.196 7.795 1.00 12.23 O ATOM 738 OE2 GLU A 51 1.284 -20.377 7.747 1.00 51.42 O1- ATOM 0 H GLU A 51 4.075 -23.020 5.386 1.00 40.23 H new ATOM 0 HA GLU A 51 2.369 -22.682 3.200 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.683 -22.143 5.059 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.488 -23.698 5.140 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.396 -23.229 7.138 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.026 -21.694 6.575 1.00 5.20 H new ATOM 745 N SER A 52 3.460 -19.922 4.450 1.00 0.31 N ATOM 746 CA SER A 52 3.461 -18.470 4.317 1.00 24.21 C ATOM 747 C SER A 52 4.226 -18.038 3.071 1.00 24.50 C ATOM 748 O SER A 52 4.090 -16.908 2.606 1.00 12.24 O ATOM 749 CB SER A 52 4.079 -17.824 5.560 1.00 63.01 C ATOM 750 OG SER A 52 3.517 -16.547 5.803 1.00 15.33 O ATOM 0 H SER A 52 4.246 -20.297 4.981 1.00 0.31 H new ATOM 0 HA SER A 52 2.427 -18.138 4.219 1.00 24.21 H new ATOM 0 HB2 SER A 52 3.918 -18.466 6.426 1.00 63.01 H new ATOM 0 HB3 SER A 52 5.157 -17.731 5.428 1.00 63.01 H new ATOM 0 HG SER A 52 4.129 -16.021 6.359 1.00 15.33 H new ATOM 756 N GLY A 53 5.033 -18.949 2.534 1.00 45.14 N ATOM 757 CA GLY A 53 5.808 -18.645 1.346 1.00 60.22 C ATOM 758 C GLY A 53 7.075 -17.873 1.663 1.00 74.10 C ATOM 759 O GLY A 53 7.859 -17.563 0.766 1.00 12.51 O ATOM 0 H GLY A 53 5.163 -19.892 2.901 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.069 -19.574 0.839 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.196 -18.065 0.655 1.00 60.22 H new ATOM 763 N GLU A 54 7.272 -17.562 2.940 1.00 43.33 N ATOM 764 CA GLU A 54 8.452 -16.819 3.370 1.00 51.21 C ATOM 765 C GLU A 54 9.582 -17.769 3.756 1.00 32.34 C ATOM 766 O GLU A 54 9.349 -18.815 4.365 1.00 45.34 O ATOM 767 CB GLU A 54 8.106 -15.912 4.554 1.00 52.21 C ATOM 768 CG GLU A 54 7.764 -16.673 5.824 1.00 3.13 C ATOM 769 CD GLU A 54 6.979 -15.834 6.813 1.00 12.04 C ATOM 770 OE1 GLU A 54 7.439 -14.721 7.141 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 5.906 -16.290 7.258 1.00 3.21 O ATOM 0 H GLU A 54 6.632 -17.812 3.694 1.00 43.33 H new ATOM 0 HA GLU A 54 8.788 -16.204 2.535 1.00 51.21 H new ATOM 0 HB2 GLU A 54 8.949 -15.251 4.753 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.262 -15.279 4.281 1.00 52.21 H new ATOM 0 HG2 GLU A 54 7.186 -17.561 5.567 1.00 3.13 H new ATOM 0 HG3 GLU A 54 8.684 -17.018 6.296 1.00 3.13 H new ATOM 778 N LEU A 55 10.806 -17.398 3.397 1.00 2.41 N ATOM 779 CA LEU A 55 11.974 -18.216 3.705 1.00 22.44 C ATOM 780 C LEU A 55 13.088 -17.369 4.309 1.00 75.42 C ATOM 781 O LEU A 55 13.757 -16.610 3.608 1.00 42.00 O ATOM 782 CB LEU A 55 12.478 -18.916 2.441 1.00 1.43 C ATOM 783 CG LEU A 55 13.830 -19.620 2.558 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.838 -20.565 3.750 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.152 -20.374 1.276 1.00 12.22 C ATOM 0 H LEU A 55 11.015 -16.537 2.893 1.00 2.41 H new ATOM 0 HA LEU A 55 11.678 -18.968 4.436 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.733 -19.651 2.135 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.543 -18.177 1.642 1.00 1.43 H new ATOM 0 HG LEU A 55 14.599 -18.864 2.714 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.808 -21.057 3.818 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.653 -20.000 4.664 1.00 65.40 H new ATOM 0 HD13 LEU A 55 13.058 -21.316 3.624 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.118 -20.869 1.378 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.380 -21.120 1.089 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.189 -19.674 0.442 1.00 12.22 H new ATOM 797 N HIS A 56 13.285 -17.505 5.617 1.00 62.22 N ATOM 798 CA HIS A 56 14.321 -16.754 6.317 1.00 52.21 C ATOM 799 C HIS A 56 15.303 -17.696 7.007 1.00 65.14 C ATOM 800 O HIS A 56 15.098 -18.909 7.037 1.00 61.43 O ATOM 801 CB HIS A 56 13.692 -15.813 7.345 1.00 44.24 C ATOM 802 CG HIS A 56 12.626 -16.459 8.174 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.819 -16.839 9.485 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.348 -16.788 7.873 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.708 -17.378 9.954 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.799 -17.359 8.995 1.00 75.35 N ATOM 0 H HIS A 56 12.741 -18.128 6.213 1.00 62.22 H new ATOM 0 HA HIS A 56 14.867 -16.164 5.581 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.473 -15.433 8.004 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.267 -14.954 6.827 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.852 -16.631 6.927 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.567 -17.768 10.951 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.845 -17.711 9.075 1.00 75.35 H new ATOM 814 N GLY A 57 16.372 -17.128 7.557 1.00 54.50 N ATOM 815 CA GLY A 57 17.371 -17.933 8.238 1.00 51.11 C ATOM 816 C GLY A 57 18.399 -18.509 7.285 1.00 44.14 C ATOM 817 O GLY A 57 19.100 -19.465 7.619 1.00 3.50 O ATOM 0 H GLY A 57 16.564 -16.126 7.544 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.876 -17.323 8.987 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.877 -18.746 8.770 1.00 51.11 H new ATOM 821 N LEU A 58 18.490 -17.929 6.093 1.00 1.11 N ATOM 822 CA LEU A 58 19.439 -18.391 5.087 1.00 53.45 C ATOM 823 C LEU A 58 20.875 -18.154 5.544 1.00 62.15 C ATOM 824 O LEU A 58 21.667 -19.091 5.649 1.00 35.35 O ATOM 825 CB LEU A 58 19.190 -17.678 3.757 1.00 64.24 C ATOM 826 CG LEU A 58 18.168 -18.331 2.826 1.00 4.24 C ATOM 827 CD1 LEU A 58 17.974 -17.491 1.573 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.603 -19.743 2.462 1.00 62.04 C ATOM 0 H LEU A 58 17.917 -17.137 5.800 1.00 1.11 H new ATOM 0 HA LEU A 58 19.293 -19.462 4.950 1.00 53.45 H new ATOM 0 HB2 LEU A 58 18.860 -16.661 3.969 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.139 -17.601 3.226 1.00 64.24 H new ATOM 0 HG LEU A 58 17.214 -18.390 3.350 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.243 -17.971 0.922 1.00 55.53 H new ATOM 0 HD12 LEU A 58 17.616 -16.500 1.851 1.00 55.53 H new ATOM 0 HD13 LEU A 58 18.924 -17.399 1.046 1.00 55.53 H new ATOM 0 HD21 LEU A 58 17.863 -20.192 1.799 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.569 -19.708 1.958 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.689 -20.342 3.368 1.00 62.04 H new ATOM 840 N THR A 59 21.205 -16.895 5.816 1.00 11.10 N ATOM 841 CA THR A 59 22.544 -16.536 6.262 1.00 32.02 C ATOM 842 C THR A 59 22.496 -15.412 7.292 1.00 65.34 C ATOM 843 O THR A 59 21.421 -14.946 7.670 1.00 12.31 O ATOM 844 CB THR A 59 23.431 -16.097 5.082 1.00 50.44 C ATOM 845 OG1 THR A 59 22.718 -15.177 4.249 1.00 55.13 O ATOM 846 CG2 THR A 59 23.869 -17.300 4.260 1.00 44.44 C ATOM 0 H THR A 59 20.562 -16.107 5.735 1.00 11.10 H new ATOM 0 HA THR A 59 22.975 -17.427 6.718 1.00 32.02 H new ATOM 0 HB THR A 59 24.318 -15.608 5.484 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.329 -14.797 3.583 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.494 -16.967 3.432 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.436 -17.984 4.891 1.00 44.44 H new ATOM 0 HG23 THR A 59 22.990 -17.812 3.868 1.00 44.44 H new ATOM 854 N THR A 60 23.670 -14.978 7.742 1.00 54.44 N ATOM 855 CA THR A 60 23.763 -13.910 8.728 1.00 13.13 C ATOM 856 C THR A 60 24.271 -12.620 8.095 1.00 21.15 C ATOM 857 O THR A 60 24.648 -12.600 6.923 1.00 14.52 O ATOM 858 CB THR A 60 24.694 -14.298 9.893 1.00 25.41 C ATOM 859 OG1 THR A 60 25.966 -14.716 9.384 1.00 64.13 O ATOM 860 CG2 THR A 60 24.083 -15.415 10.725 1.00 52.01 C ATOM 0 H THR A 60 24.570 -15.351 7.438 1.00 54.44 H new ATOM 0 HA THR A 60 22.757 -13.750 9.115 1.00 13.13 H new ATOM 0 HB THR A 60 24.827 -13.424 10.530 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.553 -14.959 10.130 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.758 -15.672 11.541 1.00 52.01 H new ATOM 0 HG22 THR A 60 23.129 -15.084 11.134 1.00 52.01 H new ATOM 0 HG23 THR A 60 23.924 -16.291 10.097 1.00 52.01 H new ATOM 868 N GLU A 61 24.279 -11.544 8.877 1.00 22.20 N ATOM 869 CA GLU A 61 24.742 -10.250 8.391 1.00 34.44 C ATOM 870 C GLU A 61 26.263 -10.228 8.265 1.00 75.15 C ATOM 871 O GLU A 61 26.817 -9.496 7.446 1.00 20.20 O ATOM 872 CB GLU A 61 24.281 -9.133 9.329 1.00 63.34 C ATOM 873 CG GLU A 61 24.692 -7.744 8.870 1.00 15.31 C ATOM 874 CD GLU A 61 23.815 -6.654 9.454 1.00 74.31 C ATOM 875 OE1 GLU A 61 22.666 -6.503 8.987 1.00 31.33 O ATOM 876 OE2 GLU A 61 24.277 -5.951 10.377 1.00 53.10 O1- ATOM 0 H GLU A 61 23.970 -11.544 9.849 1.00 22.20 H new ATOM 0 HA GLU A 61 24.311 -10.086 7.403 1.00 34.44 H new ATOM 0 HB2 GLU A 61 23.195 -9.170 9.419 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.689 -9.313 10.323 1.00 63.34 H new ATOM 0 HG2 GLU A 61 25.728 -7.563 9.155 1.00 15.31 H new ATOM 0 HG3 GLU A 61 24.648 -7.697 7.782 1.00 15.31 H new ATOM 883 N GLU A 62 26.930 -11.037 9.083 1.00 42.53 N ATOM 884 CA GLU A 62 28.387 -11.108 9.064 1.00 43.33 C ATOM 885 C GLU A 62 28.876 -11.926 7.872 1.00 65.32 C ATOM 886 O GLU A 62 29.996 -11.741 7.397 1.00 62.24 O ATOM 887 CB GLU A 62 28.906 -11.724 10.365 1.00 54.13 C ATOM 888 CG GLU A 62 28.239 -11.165 11.612 1.00 32.32 C ATOM 889 CD GLU A 62 29.242 -10.686 12.644 1.00 63.21 C ATOM 890 OE1 GLU A 62 29.843 -9.611 12.434 1.00 12.42 O ATOM 891 OE2 GLU A 62 29.424 -11.386 13.662 1.00 22.34 O1- ATOM 0 H GLU A 62 26.486 -11.651 9.766 1.00 42.53 H new ATOM 0 HA GLU A 62 28.774 -10.093 8.970 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.752 -12.803 10.333 1.00 54.13 H new ATOM 0 HB3 GLU A 62 29.981 -11.557 10.432 1.00 54.13 H new ATOM 0 HG2 GLU A 62 27.588 -10.337 11.331 1.00 32.32 H new ATOM 0 HG3 GLU A 62 27.605 -11.933 12.056 1.00 32.32 H new ATOM 898 N GLU A 63 28.026 -12.830 7.393 1.00 72.05 N ATOM 899 CA GLU A 63 28.373 -13.675 6.257 1.00 4.24 C ATOM 900 C GLU A 63 27.867 -13.069 4.952 1.00 63.22 C ATOM 901 O GLU A 63 28.461 -13.264 3.892 1.00 24.32 O ATOM 902 CB GLU A 63 27.789 -15.077 6.441 1.00 2.20 C ATOM 903 CG GLU A 63 27.953 -15.969 5.222 1.00 63.03 C ATOM 904 CD GLU A 63 29.373 -15.976 4.690 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.314 -15.979 5.510 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 29.543 -15.978 3.453 1.00 13.21 O ATOM 0 H GLU A 63 27.094 -12.995 7.774 1.00 72.05 H new ATOM 0 HA GLU A 63 29.460 -13.744 6.207 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.270 -15.552 7.296 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.729 -14.992 6.678 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.661 -16.987 5.480 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.277 -15.632 4.436 1.00 63.03 H new ATOM 913 N PHE A 64 26.764 -12.331 5.038 1.00 65.55 N ATOM 914 CA PHE A 64 26.176 -11.696 3.864 1.00 2.44 C ATOM 915 C PHE A 64 27.032 -10.525 3.393 1.00 64.41 C ATOM 916 O PHE A 64 26.896 -9.404 3.885 1.00 23.03 O ATOM 917 CB PHE A 64 24.758 -11.213 4.177 1.00 11.52 C ATOM 918 CG PHE A 64 23.987 -10.789 2.959 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.195 -9.542 2.391 1.00 2.21 C ATOM 920 CD2 PHE A 64 23.057 -11.637 2.381 1.00 23.14 C ATOM 921 CE1 PHE A 64 23.486 -9.150 1.272 1.00 22.10 C ATOM 922 CE2 PHE A 64 22.345 -11.251 1.261 1.00 23.23 C ATOM 923 CZ PHE A 64 22.562 -10.005 0.705 1.00 20.10 C ATOM 0 H PHE A 64 26.260 -12.158 5.908 1.00 65.55 H new ATOM 0 HA PHE A 64 26.133 -12.436 3.064 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.214 -12.011 4.682 1.00 11.52 H new ATOM 0 HB3 PHE A 64 24.813 -10.375 4.872 1.00 11.52 H new ATOM 0 HD1 PHE A 64 24.919 -8.870 2.828 1.00 2.21 H new ATOM 0 HD2 PHE A 64 22.886 -12.613 2.811 1.00 23.14 H new ATOM 0 HE1 PHE A 64 23.655 -8.174 0.841 1.00 22.10 H new ATOM 0 HE2 PHE A 64 21.621 -11.921 0.822 1.00 23.23 H new ATOM 0 HZ PHE A 64 22.010 -9.700 -0.172 1.00 20.10 H new ATOM 933 N VAL A 65 27.917 -10.792 2.437 1.00 21.05 N ATOM 934 CA VAL A 65 28.795 -9.761 1.898 1.00 15.40 C ATOM 935 C VAL A 65 28.137 -9.032 0.732 1.00 44.42 C ATOM 936 O VAL A 65 27.005 -9.338 0.357 1.00 15.41 O ATOM 937 CB VAL A 65 30.135 -10.356 1.426 1.00 4.22 C ATOM 938 CG1 VAL A 65 30.890 -10.968 2.596 1.00 44.35 C ATOM 939 CG2 VAL A 65 29.903 -11.390 0.332 1.00 3.14 C ATOM 0 H VAL A 65 28.044 -11.714 2.020 1.00 21.05 H new ATOM 0 HA VAL A 65 28.984 -9.053 2.705 1.00 15.40 H new ATOM 0 HB VAL A 65 30.744 -9.552 1.012 1.00 4.22 H new ATOM 0 HG11 VAL A 65 31.834 -11.383 2.243 1.00 44.35 H new ATOM 0 HG12 VAL A 65 31.089 -10.199 3.343 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.289 -11.761 3.042 1.00 44.35 H new ATOM 0 HG21 VAL A 65 30.860 -11.800 0.010 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.275 -12.193 0.718 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.407 -10.918 -0.516 1.00 3.14 H new ATOM 949 N GLU A 66 28.852 -8.066 0.164 1.00 71.12 N ATOM 950 CA GLU A 66 28.337 -7.293 -0.959 1.00 72.12 C ATOM 951 C GLU A 66 28.746 -7.923 -2.286 1.00 23.14 C ATOM 952 O GLU A 66 29.657 -8.748 -2.341 1.00 1.30 O ATOM 953 CB GLU A 66 28.842 -5.851 -0.889 1.00 3.54 C ATOM 954 CG GLU A 66 30.338 -5.718 -1.128 1.00 73.15 C ATOM 955 CD GLU A 66 30.886 -4.382 -0.665 1.00 11.41 C ATOM 956 OE1 GLU A 66 30.689 -3.379 -1.384 1.00 4.44 O1- ATOM 957 OE2 GLU A 66 31.511 -4.339 0.414 1.00 63.51 O ATOM 0 H GLU A 66 29.790 -7.800 0.464 1.00 71.12 H new ATOM 0 HA GLU A 66 27.249 -7.292 -0.897 1.00 72.12 H new ATOM 0 HB2 GLU A 66 28.310 -5.252 -1.628 1.00 3.54 H new ATOM 0 HB3 GLU A 66 28.601 -5.437 0.090 1.00 3.54 H new ATOM 0 HG2 GLU A 66 30.858 -6.521 -0.606 1.00 73.15 H new ATOM 0 HG3 GLU A 66 30.545 -5.843 -2.191 1.00 73.15 H new ATOM 964 N GLY A 67 28.063 -7.529 -3.357 1.00 24.52 N ATOM 965 CA GLY A 67 28.369 -8.065 -4.671 1.00 43.11 C ATOM 966 C GLY A 67 27.140 -8.603 -5.378 1.00 53.01 C ATOM 967 O GLY A 67 26.014 -8.232 -5.047 1.00 30.33 O ATOM 0 H GLY A 67 27.303 -6.848 -3.338 1.00 24.52 H new ATOM 0 HA2 GLY A 67 28.823 -7.285 -5.282 1.00 43.11 H new ATOM 0 HA3 GLY A 67 29.106 -8.862 -4.572 1.00 43.11 H new ATOM 971 N ILE A 68 27.357 -9.478 -6.354 1.00 63.14 N ATOM 972 CA ILE A 68 26.258 -10.067 -7.110 1.00 74.20 C ATOM 973 C ILE A 68 25.887 -11.440 -6.560 1.00 31.45 C ATOM 974 O ILE A 68 26.741 -12.171 -6.057 1.00 12.54 O ATOM 975 CB ILE A 68 26.610 -10.201 -8.603 1.00 73.34 C ATOM 976 CG1 ILE A 68 27.197 -8.891 -9.131 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.378 -10.597 -9.404 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.709 -8.883 -9.177 1.00 72.12 C ATOM 0 H ILE A 68 28.283 -9.795 -6.640 1.00 63.14 H new ATOM 0 HA ILE A 68 25.406 -9.395 -7.006 1.00 74.20 H new ATOM 0 HB ILE A 68 27.360 -10.984 -8.715 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.810 -8.706 -10.133 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.856 -8.069 -8.501 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.643 -10.688 -10.457 1.00 20.00 H new ATOM 0 HG22 ILE A 68 25.000 -11.553 -9.041 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.608 -9.834 -9.288 1.00 20.00 H new ATOM 0 HD11 ILE A 68 29.056 -7.924 -9.561 1.00 72.12 H new ATOM 0 HD12 ILE A 68 29.104 -9.036 -8.173 1.00 72.12 H new ATOM 0 HD13 ILE A 68 29.057 -9.683 -9.830 1.00 72.12 H new ATOM 990 N TYR A 69 24.608 -11.786 -6.663 1.00 70.53 N ATOM 991 CA TYR A 69 24.123 -13.073 -6.176 1.00 5.55 C ATOM 992 C TYR A 69 23.135 -13.690 -7.160 1.00 31.10 C ATOM 993 O TYR A 69 22.514 -12.988 -7.959 1.00 43.33 O ATOM 994 CB TYR A 69 23.461 -12.907 -4.807 1.00 75.15 C ATOM 995 CG TYR A 69 24.442 -12.647 -3.687 1.00 74.35 C ATOM 996 CD1 TYR A 69 25.048 -11.405 -3.540 1.00 43.05 C ATOM 997 CD2 TYR A 69 24.764 -13.644 -2.774 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.946 -11.165 -2.519 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.660 -13.412 -1.749 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.248 -12.171 -1.625 1.00 12.51 C ATOM 1001 OH TYR A 69 27.142 -11.934 -0.605 1.00 52.05 O ATOM 0 H TYR A 69 23.889 -11.194 -7.079 1.00 70.53 H new ATOM 0 HA TYR A 69 24.978 -13.742 -6.080 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.750 -12.082 -4.854 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.891 -13.807 -4.577 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.812 -10.614 -4.236 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.305 -14.617 -2.868 1.00 31.25 H new ATOM 0 HE1 TYR A 69 26.410 -10.195 -2.421 1.00 42.14 H new ATOM 0 HE2 TYR A 69 25.899 -14.198 -1.048 1.00 72.34 H new ATOM 0 HH TYR A 69 26.990 -11.038 -0.238 1.00 52.05 H new ATOM 1011 N LYS A 70 22.992 -15.009 -7.096 1.00 53.33 N ATOM 1012 CA LYS A 70 22.079 -15.725 -7.980 1.00 53.10 C ATOM 1013 C LYS A 70 21.163 -16.648 -7.182 1.00 14.23 C ATOM 1014 O LYS A 70 21.628 -17.479 -6.404 1.00 71.33 O ATOM 1015 CB LYS A 70 22.865 -16.537 -9.012 1.00 4.23 C ATOM 1016 CG LYS A 70 22.005 -17.083 -10.138 1.00 73.02 C ATOM 1017 CD LYS A 70 22.711 -18.202 -10.886 1.00 24.44 C ATOM 1018 CE LYS A 70 22.748 -19.483 -10.067 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.123 -20.662 -10.897 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.497 -15.605 -6.440 1.00 53.33 H new ATOM 0 HA LYS A 70 21.464 -14.990 -8.499 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.648 -15.909 -9.436 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.360 -17.367 -8.508 1.00 4.23 H new ATOM 0 HG2 LYS A 70 21.064 -17.453 -9.732 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.759 -16.279 -10.832 1.00 73.02 H new ATOM 0 HD2 LYS A 70 22.201 -18.388 -11.831 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.728 -17.894 -11.128 1.00 24.44 H new ATOM 0 HE2 LYS A 70 23.462 -19.372 -9.251 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.771 -19.653 -9.615 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 22.377 -21.384 -10.832 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.234 -20.367 -11.888 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.020 -21.059 -10.551 1.00 5.14 H new ATOM 1033 N VAL A 71 19.858 -16.495 -7.381 1.00 73.11 N ATOM 1034 CA VAL A 71 18.876 -17.316 -6.684 1.00 34.45 C ATOM 1035 C VAL A 71 18.202 -18.297 -7.636 1.00 63.22 C ATOM 1036 O VAL A 71 17.845 -17.940 -8.759 1.00 63.42 O ATOM 1037 CB VAL A 71 17.796 -16.448 -6.010 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.726 -17.325 -5.377 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.423 -15.527 -4.974 1.00 13.51 C ATOM 0 H VAL A 71 19.456 -15.809 -8.020 1.00 73.11 H new ATOM 0 HA VAL A 71 19.416 -17.872 -5.918 1.00 34.45 H new ATOM 0 HB VAL A 71 17.322 -15.830 -6.773 1.00 32.41 H new ATOM 0 HG11 VAL A 71 15.971 -16.695 -4.906 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.257 -17.939 -6.146 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.182 -17.970 -4.625 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.646 -14.921 -4.508 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.924 -16.124 -4.212 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.149 -14.875 -5.459 1.00 13.51 H new ATOM 1049 N GLU A 72 18.031 -19.534 -7.181 1.00 52.24 N ATOM 1050 CA GLU A 72 17.399 -20.567 -7.994 1.00 34.02 C ATOM 1051 C GLU A 72 16.216 -21.190 -7.259 1.00 45.41 C ATOM 1052 O GLU A 72 16.368 -21.728 -6.162 1.00 32.53 O ATOM 1053 CB GLU A 72 18.415 -21.651 -8.360 1.00 24.24 C ATOM 1054 CG GLU A 72 19.426 -21.210 -9.406 1.00 50.22 C ATOM 1055 CD GLU A 72 19.818 -22.332 -10.347 1.00 65.25 C ATOM 1056 OE1 GLU A 72 18.914 -23.040 -10.836 1.00 13.41 O ATOM 1057 OE2 GLU A 72 21.031 -22.504 -10.593 1.00 24.10 O1- ATOM 0 H GLU A 72 18.321 -19.845 -6.254 1.00 52.24 H new ATOM 0 HA GLU A 72 17.031 -20.100 -8.908 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.947 -21.957 -7.459 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.882 -22.527 -8.729 1.00 24.24 H new ATOM 0 HG2 GLU A 72 19.009 -20.385 -9.984 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.318 -20.831 -8.907 1.00 50.22 H new ATOM 1064 N ILE A 73 15.040 -21.113 -7.872 1.00 61.12 N ATOM 1065 CA ILE A 73 13.831 -21.669 -7.277 1.00 75.21 C ATOM 1066 C ILE A 73 13.382 -22.924 -8.016 1.00 61.50 C ATOM 1067 O ILE A 73 13.364 -22.959 -9.248 1.00 61.15 O ATOM 1068 CB ILE A 73 12.680 -20.646 -7.279 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.163 -19.300 -6.735 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.508 -21.165 -6.459 1.00 45.44 C ATOM 1071 CD1 ILE A 73 12.090 -18.234 -6.719 1.00 64.32 C ATOM 0 H ILE A 73 14.898 -20.671 -8.780 1.00 61.12 H new ATOM 0 HA ILE A 73 14.076 -21.925 -6.246 1.00 75.21 H new ATOM 0 HB ILE A 73 12.344 -20.502 -8.306 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.539 -19.441 -5.722 1.00 2.24 H new ATOM 0 HG13 ILE A 73 14.000 -18.952 -7.340 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.703 -20.431 -6.470 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.151 -22.102 -6.887 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.830 -21.335 -5.432 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.504 -17.307 -6.321 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.730 -18.065 -7.734 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.262 -18.561 -6.090 1.00 64.32 H new ATOM 1083 N ASP A 74 13.019 -23.954 -7.259 1.00 20.43 N ATOM 1084 CA ASP A 74 12.566 -25.210 -7.842 1.00 51.21 C ATOM 1085 C ASP A 74 11.045 -25.309 -7.810 1.00 25.22 C ATOM 1086 O ASP A 74 10.470 -25.937 -6.920 1.00 75.54 O ATOM 1087 CB ASP A 74 13.182 -26.395 -7.095 1.00 1.22 C ATOM 1088 CG ASP A 74 13.324 -27.622 -7.973 1.00 72.00 C ATOM 1089 OD1 ASP A 74 13.501 -27.459 -9.199 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 13.259 -28.747 -7.434 1.00 5.22 O ATOM 0 H ASP A 74 13.030 -23.943 -6.239 1.00 20.43 H new ATOM 0 HA ASP A 74 12.891 -25.236 -8.882 1.00 51.21 H new ATOM 0 HB2 ASP A 74 14.162 -26.110 -6.713 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.562 -26.639 -6.232 1.00 1.22 H new ATOM 1095 N THR A 75 10.396 -24.681 -8.786 1.00 25.23 N ATOM 1096 CA THR A 75 8.940 -24.695 -8.868 1.00 73.01 C ATOM 1097 C THR A 75 8.423 -26.081 -9.233 1.00 65.31 C ATOM 1098 O THR A 75 7.290 -26.439 -8.909 1.00 53.44 O ATOM 1099 CB THR A 75 8.426 -23.678 -9.905 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.645 -24.178 -11.230 1.00 31.11 O ATOM 1101 CG2 THR A 75 9.126 -22.337 -9.741 1.00 30.20 C ATOM 0 H THR A 75 10.855 -24.157 -9.530 1.00 25.23 H new ATOM 0 HA THR A 75 8.565 -24.419 -7.882 1.00 73.01 H new ATOM 0 HB THR A 75 7.358 -23.534 -9.743 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.871 -24.708 -11.512 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.747 -21.635 -10.484 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.934 -21.946 -8.742 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.199 -22.467 -9.880 1.00 30.20 H new ATOM 1109 N LYS A 76 9.261 -26.862 -9.907 1.00 33.31 N ATOM 1110 CA LYS A 76 8.890 -28.211 -10.314 1.00 53.53 C ATOM 1111 C LYS A 76 8.393 -29.023 -9.123 1.00 52.22 C ATOM 1112 O LYS A 76 7.481 -29.841 -9.254 1.00 33.40 O ATOM 1113 CB LYS A 76 10.085 -28.917 -10.962 1.00 42.11 C ATOM 1114 CG LYS A 76 11.246 -29.144 -10.010 1.00 35.11 C ATOM 1115 CD LYS A 76 11.254 -30.564 -9.469 1.00 64.45 C ATOM 1116 CE LYS A 76 12.119 -31.480 -10.322 1.00 4.34 C ATOM 1117 NZ LYS A 76 11.855 -32.918 -10.034 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.202 -26.583 -10.183 1.00 33.31 H new ATOM 0 HA LYS A 76 8.082 -28.134 -11.041 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.757 -29.878 -11.358 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.431 -28.324 -11.809 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.185 -28.945 -10.526 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.182 -28.438 -9.182 1.00 35.11 H new ATOM 0 HD2 LYS A 76 11.625 -30.562 -8.444 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.235 -30.949 -9.438 1.00 64.45 H new ATOM 0 HE2 LYS A 76 11.930 -31.280 -11.377 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.171 -31.260 -10.140 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 12.464 -33.510 -10.635 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 12.060 -33.115 -9.034 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 10.857 -33.134 -10.232 1.00 11.00 H new ATOM 1131 N SER A 77 8.994 -28.789 -7.961 1.00 50.35 N ATOM 1132 CA SER A 77 8.612 -29.500 -6.746 1.00 24.21 C ATOM 1133 C SER A 77 7.212 -29.092 -6.296 1.00 74.33 C ATOM 1134 O SER A 77 6.477 -29.893 -5.718 1.00 24.13 O ATOM 1135 CB SER A 77 9.621 -29.221 -5.630 1.00 2.11 C ATOM 1136 OG SER A 77 10.808 -29.973 -5.815 1.00 64.04 O ATOM 0 H SER A 77 9.747 -28.113 -7.835 1.00 50.35 H new ATOM 0 HA SER A 77 8.608 -30.568 -6.964 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.860 -28.158 -5.609 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.178 -29.467 -4.665 1.00 2.11 H new ATOM 0 HG SER A 77 11.452 -29.446 -6.333 1.00 64.04 H new ATOM 1142 N TYR A 78 6.851 -27.843 -6.565 1.00 62.35 N ATOM 1143 CA TYR A 78 5.541 -27.328 -6.186 1.00 72.42 C ATOM 1144 C TYR A 78 4.492 -27.681 -7.237 1.00 51.41 C ATOM 1145 O TYR A 78 3.306 -27.801 -6.929 1.00 23.54 O ATOM 1146 CB TYR A 78 5.601 -25.811 -5.998 1.00 12.14 C ATOM 1147 CG TYR A 78 4.324 -25.217 -5.449 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.750 -25.709 -4.282 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.688 -24.165 -6.097 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.583 -25.170 -3.778 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.522 -23.619 -5.599 1.00 34.34 C ATOM 1152 CZ TYR A 78 1.972 -24.125 -4.440 1.00 21.50 C ATOM 1153 OH TYR A 78 0.810 -23.585 -3.939 1.00 72.23 O ATOM 0 H TYR A 78 7.447 -27.168 -7.044 1.00 62.35 H new ATOM 0 HA TYR A 78 5.255 -27.793 -5.243 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.423 -25.569 -5.324 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.826 -25.343 -6.956 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.225 -26.527 -3.761 1.00 30.23 H new ATOM 0 HD2 TYR A 78 4.114 -23.767 -7.007 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.151 -25.564 -2.870 1.00 24.52 H new ATOM 0 HE2 TYR A 78 2.043 -22.800 -6.114 1.00 34.34 H new ATOM 0 HH TYR A 78 0.760 -22.636 -4.180 1.00 72.23 H new ATOM 1163 N TRP A 79 4.938 -27.845 -8.477 1.00 73.24 N ATOM 1164 CA TRP A 79 4.039 -28.184 -9.574 1.00 62.55 C ATOM 1165 C TRP A 79 3.685 -29.666 -9.549 1.00 11.32 C ATOM 1166 O TRP A 79 2.637 -30.074 -10.050 1.00 34.45 O ATOM 1167 CB TRP A 79 4.680 -27.823 -10.915 1.00 35.20 C ATOM 1168 CG TRP A 79 4.901 -26.351 -11.091 1.00 34.11 C ATOM 1169 CD1 TRP A 79 6.065 -25.735 -11.452 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.933 -25.311 -10.910 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.878 -24.374 -11.508 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.579 -24.090 -11.180 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.583 -25.295 -10.549 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.920 -22.865 -11.098 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.931 -24.079 -10.468 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.598 -22.878 -10.742 1.00 2.41 C ATOM 0 H TRP A 79 5.917 -27.749 -8.748 1.00 73.24 H new ATOM 0 HA TRP A 79 3.122 -27.608 -9.451 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.636 -28.340 -11.003 1.00 35.20 H new ATOM 0 HB3 TRP A 79 4.045 -28.187 -11.723 1.00 35.20 H new ATOM 0 HD1 TRP A 79 6.995 -26.242 -11.662 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.591 -23.687 -11.754 1.00 13.12 H new ATOM 0 HE3 TRP A 79 2.059 -26.215 -10.337 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.434 -21.938 -11.308 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.888 -24.054 -10.188 1.00 34.34 H new ATOM 0 HH2 TRP A 79 2.059 -21.945 -10.671 1.00 2.41 H new ATOM 1187 N LYS A 80 4.565 -30.471 -8.961 1.00 14.35 N ATOM 1188 CA LYS A 80 4.346 -31.909 -8.868 1.00 74.13 C ATOM 1189 C LYS A 80 3.395 -32.241 -7.723 1.00 72.35 C ATOM 1190 O LYS A 80 2.784 -33.310 -7.701 1.00 42.42 O ATOM 1191 CB LYS A 80 5.676 -32.638 -8.668 1.00 2.35 C ATOM 1192 CG LYS A 80 6.197 -32.573 -7.244 1.00 11.13 C ATOM 1193 CD LYS A 80 6.001 -33.892 -6.516 1.00 4.54 C ATOM 1194 CE LYS A 80 7.171 -34.836 -6.751 1.00 14.23 C ATOM 1195 NZ LYS A 80 7.098 -36.039 -5.876 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.438 -30.150 -8.541 1.00 14.35 H new ATOM 0 HA LYS A 80 3.894 -32.243 -9.802 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.555 -33.683 -8.954 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.420 -32.208 -9.338 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.256 -32.317 -7.255 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.682 -31.778 -6.704 1.00 11.13 H new ATOM 0 HD2 LYS A 80 5.890 -33.707 -5.448 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.078 -34.363 -6.855 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.182 -35.147 -7.796 1.00 14.23 H new ATOM 0 HE3 LYS A 80 8.106 -34.308 -6.565 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 7.913 -36.657 -6.067 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 7.113 -35.744 -4.879 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 6.218 -36.557 -6.071 1.00 15.12 H new ATOM 1209 N ALA A 81 3.274 -31.319 -6.774 1.00 25.24 N ATOM 1210 CA ALA A 81 2.394 -31.513 -5.628 1.00 60.14 C ATOM 1211 C ALA A 81 0.934 -31.584 -6.062 1.00 25.04 C ATOM 1212 O ALA A 81 0.142 -32.336 -5.491 1.00 75.40 O ATOM 1213 CB ALA A 81 2.592 -30.394 -4.615 1.00 62.23 C ATOM 0 H ALA A 81 3.774 -30.430 -6.776 1.00 25.24 H new ATOM 0 HA ALA A 81 2.653 -32.463 -5.160 1.00 60.14 H new ATOM 0 HB1 ALA A 81 1.929 -30.552 -3.765 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.627 -30.392 -4.273 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.362 -29.436 -5.082 1.00 62.23 H new ATOM 1219 N LEU A 82 0.583 -30.798 -7.073 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.783 -30.770 -7.583 1.00 42.14 C ATOM 1221 C LEU A 82 -0.867 -31.441 -8.951 1.00 63.11 C ATOM 1222 O LEU A 82 -1.932 -31.894 -9.367 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.285 -29.329 -7.678 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.212 -28.240 -7.634 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.666 -28.306 -8.874 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.852 -26.865 -7.503 1.00 52.23 C ATOM 0 H LEU A 82 1.226 -30.171 -7.556 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.415 -31.322 -6.888 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.846 -29.221 -8.606 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.985 -29.155 -6.861 1.00 1.31 H new ATOM 0 HG LEU A 82 0.416 -28.410 -6.760 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.424 -27.524 -8.825 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.153 -29.280 -8.924 1.00 30.23 H new ATOM 0 HD13 LEU A 82 0.052 -28.161 -9.763 1.00 30.23 H new ATOM 0 HD21 LEU A 82 -0.074 -26.103 -7.473 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.504 -26.684 -8.357 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.437 -26.822 -6.584 1.00 52.23 H new ATOM 1238 N GLY A 83 0.265 -31.501 -9.645 1.00 74.15 N ATOM 1239 CA GLY A 83 0.299 -32.119 -10.957 1.00 24.44 C ATOM 1240 C GLY A 83 0.048 -31.124 -12.074 1.00 53.33 C ATOM 1241 O GLY A 83 -0.744 -31.386 -12.980 1.00 44.53 O ATOM 0 H GLY A 83 1.159 -31.132 -9.322 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.269 -32.592 -11.107 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.451 -32.909 -11.003 1.00 24.44 H new ATOM 1245 N ILE A 84 0.722 -29.982 -12.008 1.00 11.52 N ATOM 1246 CA ILE A 84 0.566 -28.944 -13.021 1.00 73.53 C ATOM 1247 C ILE A 84 1.549 -29.146 -14.169 1.00 73.31 C ATOM 1248 O ILE A 84 2.703 -29.518 -13.954 1.00 12.13 O ATOM 1249 CB ILE A 84 0.773 -27.539 -12.424 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.578 -26.885 -12.124 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.587 -26.675 -13.375 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.522 -27.777 -11.349 1.00 31.45 C ATOM 0 H ILE A 84 1.381 -29.751 -11.265 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.453 -29.022 -13.400 1.00 73.53 H new ATOM 0 HB ILE A 84 1.325 -27.634 -11.489 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.411 -25.968 -11.559 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -1.051 -26.599 -13.064 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.725 -25.685 -12.940 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.560 -27.136 -13.543 1.00 54.52 H new ATOM 0 HG23 ILE A 84 1.060 -26.583 -14.325 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.459 -27.249 -11.172 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.719 -28.683 -11.922 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -1.069 -28.043 -10.394 1.00 31.45 H new ATOM 1264 N SER A 85 1.084 -28.896 -15.388 1.00 52.21 N ATOM 1265 CA SER A 85 1.922 -29.052 -16.573 1.00 24.12 C ATOM 1266 C SER A 85 3.223 -28.270 -16.424 1.00 3.33 C ATOM 1267 O SER A 85 3.244 -27.039 -16.451 1.00 53.24 O ATOM 1268 CB SER A 85 1.170 -28.583 -17.820 1.00 54.52 C ATOM 1269 OG SER A 85 1.785 -29.072 -18.999 1.00 23.32 O ATOM 0 H SER A 85 0.132 -28.585 -15.582 1.00 52.21 H new ATOM 0 HA SER A 85 2.165 -30.109 -16.681 1.00 24.12 H new ATOM 0 HB2 SER A 85 0.136 -28.926 -17.776 1.00 54.52 H new ATOM 0 HB3 SER A 85 1.144 -27.494 -17.845 1.00 54.52 H new ATOM 0 HG SER A 85 1.285 -28.760 -19.782 1.00 23.32 H new ATOM 1275 N PRO A 86 4.337 -29.000 -16.265 1.00 42.12 N ATOM 1276 CA PRO A 86 5.664 -28.396 -16.110 1.00 71.24 C ATOM 1277 C PRO A 86 6.158 -27.744 -17.396 1.00 40.35 C ATOM 1278 O PRO A 86 6.621 -28.425 -18.310 1.00 12.43 O ATOM 1279 CB PRO A 86 6.553 -29.586 -15.737 1.00 45.12 C ATOM 1280 CG PRO A 86 5.857 -30.773 -16.309 1.00 24.31 C ATOM 1281 CD PRO A 86 4.386 -30.471 -16.224 1.00 65.12 C ATOM 0 HA PRO A 86 5.664 -27.597 -15.369 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.555 -29.477 -16.152 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.663 -29.674 -14.656 1.00 45.12 H new ATOM 0 HG2 PRO A 86 6.161 -30.944 -17.342 1.00 24.31 H new ATOM 0 HG3 PRO A 86 6.103 -31.676 -15.751 1.00 24.31 H new ATOM 0 HD2 PRO A 86 3.836 -30.915 -17.054 1.00 65.12 H new ATOM 0 HD3 PRO A 86 3.948 -30.862 -15.306 1.00 65.12 H new ATOM 1289 N MET A 87 6.056 -26.421 -17.461 1.00 43.33 N ATOM 1290 CA MET A 87 6.495 -25.677 -18.636 1.00 1.42 C ATOM 1291 C MET A 87 7.956 -25.261 -18.502 1.00 55.04 C ATOM 1292 O MET A 87 8.654 -25.077 -19.499 1.00 10.13 O ATOM 1293 CB MET A 87 5.617 -24.441 -18.840 1.00 20.04 C ATOM 1294 CG MET A 87 4.141 -24.765 -19.011 1.00 72.24 C ATOM 1295 SD MET A 87 3.696 -25.095 -20.727 1.00 22.31 S ATOM 1296 CE MET A 87 2.807 -23.596 -21.140 1.00 35.42 C ATOM 0 H MET A 87 5.673 -25.842 -16.714 1.00 43.33 H new ATOM 0 HA MET A 87 6.400 -26.329 -19.504 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.738 -23.775 -17.986 1.00 20.04 H new ATOM 0 HB3 MET A 87 5.966 -23.899 -19.719 1.00 20.04 H new ATOM 0 HG2 MET A 87 3.891 -25.633 -18.402 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.545 -23.932 -18.639 1.00 72.24 H new ATOM 0 HE1 MET A 87 2.912 -23.393 -22.206 1.00 35.42 H new ATOM 0 HE2 MET A 87 1.752 -23.720 -20.896 1.00 35.42 H new ATOM 0 HE3 MET A 87 3.216 -22.762 -20.570 1.00 35.42 H new ATOM 1306 N HIS A 88 8.414 -25.113 -17.262 1.00 0.52 N ATOM 1307 CA HIS A 88 9.792 -24.719 -16.998 1.00 51.21 C ATOM 1308 C HIS A 88 10.378 -25.530 -15.845 1.00 23.12 C ATOM 1309 O HIS A 88 9.670 -25.892 -14.907 1.00 50.35 O ATOM 1310 CB HIS A 88 9.866 -23.226 -16.675 1.00 24.12 C ATOM 1311 CG HIS A 88 9.052 -22.830 -15.482 1.00 62.11 C ATOM 1312 ND1 HIS A 88 7.910 -22.061 -15.571 1.00 74.54 N ATOM 1313 CD2 HIS A 88 9.218 -23.105 -14.167 1.00 20.22 C ATOM 1314 CE1 HIS A 88 7.412 -21.877 -14.361 1.00 21.10 C ATOM 1315 NE2 HIS A 88 8.186 -22.500 -13.492 1.00 3.14 N ATOM 0 H HIS A 88 7.850 -25.260 -16.425 1.00 0.52 H new ATOM 0 HA HIS A 88 10.378 -24.918 -17.895 1.00 51.21 H new ATOM 0 HB2 HIS A 88 10.907 -22.951 -16.502 1.00 24.12 H new ATOM 0 HB3 HIS A 88 9.526 -22.658 -17.541 1.00 24.12 H new ATOM 0 HD2 HIS A 88 10.013 -23.691 -13.730 1.00 20.22 H new ATOM 0 HE1 HIS A 88 6.522 -21.313 -14.123 1.00 21.10 H new ATOM 0 HE2 HIS A 88 8.041 -22.528 -12.483 1.00 3.14 H new ATOM 1323 N GLU A 89 11.675 -25.809 -15.924 1.00 53.32 N ATOM 1324 CA GLU A 89 12.355 -26.578 -14.889 1.00 13.34 C ATOM 1325 C GLU A 89 12.431 -25.787 -13.585 1.00 2.34 C ATOM 1326 O GLU A 89 11.774 -26.127 -12.601 1.00 33.31 O ATOM 1327 CB GLU A 89 13.762 -26.963 -15.348 1.00 13.54 C ATOM 1328 CG GLU A 89 13.787 -28.127 -16.324 1.00 22.51 C ATOM 1329 CD GLU A 89 13.680 -29.471 -15.632 1.00 44.10 C ATOM 1330 OE1 GLU A 89 12.562 -29.832 -15.207 1.00 31.10 O1- ATOM 1331 OE2 GLU A 89 14.712 -30.163 -15.515 1.00 63.34 O ATOM 0 H GLU A 89 12.276 -25.514 -16.694 1.00 53.32 H new ATOM 0 HA GLU A 89 11.779 -27.486 -14.710 1.00 13.34 H new ATOM 0 HB2 GLU A 89 14.232 -26.098 -15.816 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.362 -27.219 -14.475 1.00 13.54 H new ATOM 0 HG2 GLU A 89 12.965 -28.021 -17.032 1.00 22.51 H new ATOM 0 HG3 GLU A 89 14.711 -28.092 -16.901 1.00 22.51 H new ATOM 1338 N HIS A 90 13.238 -24.731 -13.588 1.00 12.33 N ATOM 1339 CA HIS A 90 13.401 -23.891 -12.407 1.00 64.04 C ATOM 1340 C HIS A 90 13.555 -22.425 -12.800 1.00 64.34 C ATOM 1341 O HIS A 90 13.785 -22.106 -13.967 1.00 61.10 O ATOM 1342 CB HIS A 90 14.615 -24.344 -11.596 1.00 14.33 C ATOM 1343 CG HIS A 90 15.832 -24.599 -12.431 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.522 -25.793 -12.412 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.480 -23.806 -13.316 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.543 -25.723 -13.247 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.540 -24.527 -13.809 1.00 64.31 N ATOM 0 H HIS A 90 13.789 -24.437 -14.394 1.00 12.33 H new ATOM 0 HA HIS A 90 12.506 -23.992 -11.793 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.848 -23.583 -10.851 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.360 -25.254 -11.053 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.213 -22.795 -13.585 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.258 -26.509 -13.438 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.215 -24.194 -14.497 1.00 64.31 H new ATOM 1355 N ALA A 91 13.428 -21.537 -11.820 1.00 30.43 N ATOM 1356 CA ALA A 91 13.555 -20.105 -12.063 1.00 4.31 C ATOM 1357 C ALA A 91 14.844 -19.558 -11.461 1.00 13.54 C ATOM 1358 O ALA A 91 15.043 -19.608 -10.247 1.00 55.12 O ATOM 1359 CB ALA A 91 12.351 -19.365 -11.500 1.00 53.12 C ATOM 0 H ALA A 91 13.237 -21.784 -10.849 1.00 30.43 H new ATOM 0 HA ALA A 91 13.593 -19.947 -13.141 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.459 -18.297 -11.689 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.443 -19.728 -11.981 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.287 -19.539 -10.426 1.00 53.12 H new ATOM 1365 N GLU A 92 15.718 -19.037 -12.317 1.00 71.53 N ATOM 1366 CA GLU A 92 16.989 -18.482 -11.867 1.00 22.11 C ATOM 1367 C GLU A 92 17.056 -16.983 -12.143 1.00 21.04 C ATOM 1368 O GLU A 92 16.788 -16.532 -13.257 1.00 35.42 O ATOM 1369 CB GLU A 92 18.154 -19.192 -12.560 1.00 20.12 C ATOM 1370 CG GLU A 92 18.008 -20.704 -12.601 1.00 3.34 C ATOM 1371 CD GLU A 92 19.182 -21.385 -13.276 1.00 5.13 C ATOM 1372 OE1 GLU A 92 20.330 -21.161 -12.837 1.00 51.43 O ATOM 1373 OE2 GLU A 92 18.955 -22.142 -14.242 1.00 1.44 O1- ATOM 0 H GLU A 92 15.569 -18.988 -13.325 1.00 71.53 H new ATOM 0 HA GLU A 92 17.065 -18.639 -10.791 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.243 -18.816 -13.579 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.081 -18.939 -12.045 1.00 20.12 H new ATOM 0 HG2 GLU A 92 17.908 -21.083 -11.584 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.090 -20.962 -13.129 1.00 3.34 H new ATOM 1380 N VAL A 93 17.416 -16.214 -11.119 1.00 13.33 N ATOM 1381 CA VAL A 93 17.519 -14.766 -11.250 1.00 70.50 C ATOM 1382 C VAL A 93 18.795 -14.245 -10.599 1.00 3.53 C ATOM 1383 O VAL A 93 19.229 -14.752 -9.565 1.00 12.13 O ATOM 1384 CB VAL A 93 16.307 -14.057 -10.616 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.405 -12.552 -10.813 1.00 23.41 C ATOM 1386 CG2 VAL A 93 15.010 -14.596 -11.202 1.00 45.53 C ATOM 0 H VAL A 93 17.641 -16.570 -10.190 1.00 13.33 H new ATOM 0 HA VAL A 93 17.542 -14.546 -12.317 1.00 70.50 H new ATOM 0 HB VAL A 93 16.308 -14.260 -9.545 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.540 -12.068 -10.359 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.316 -12.182 -10.343 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.429 -12.325 -11.879 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.163 -14.085 -10.744 1.00 45.53 H new ATOM 0 HG22 VAL A 93 14.998 -14.424 -12.278 1.00 45.53 H new ATOM 0 HG23 VAL A 93 14.938 -15.666 -11.004 1.00 45.53 H new ATOM 1396 N VAL A 94 19.394 -13.228 -11.212 1.00 2.22 N ATOM 1397 CA VAL A 94 20.619 -12.637 -10.691 1.00 2.02 C ATOM 1398 C VAL A 94 20.364 -11.238 -10.138 1.00 12.31 C ATOM 1399 O VAL A 94 19.702 -10.419 -10.774 1.00 50.11 O ATOM 1400 CB VAL A 94 21.709 -12.555 -11.778 1.00 14.01 C ATOM 1401 CG1 VAL A 94 22.969 -11.908 -11.223 1.00 20.21 C ATOM 1402 CG2 VAL A 94 22.010 -13.938 -12.334 1.00 30.43 C ATOM 0 H VAL A 94 19.050 -12.797 -12.070 1.00 2.22 H new ATOM 0 HA VAL A 94 20.965 -13.285 -9.886 1.00 2.02 H new ATOM 0 HB VAL A 94 21.340 -11.933 -12.593 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.727 -11.859 -12.005 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.738 -10.900 -10.877 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.345 -12.501 -10.389 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.782 -13.862 -13.100 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.360 -14.585 -11.530 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.105 -14.359 -12.771 1.00 30.43 H new ATOM 1412 N PHE A 95 20.894 -10.973 -8.949 1.00 1.21 N ATOM 1413 CA PHE A 95 20.723 -9.675 -8.308 1.00 71.43 C ATOM 1414 C PHE A 95 22.075 -9.057 -7.961 1.00 71.25 C ATOM 1415 O PHE A 95 22.897 -9.674 -7.284 1.00 40.21 O ATOM 1416 CB PHE A 95 19.873 -9.813 -7.044 1.00 71.11 C ATOM 1417 CG PHE A 95 18.601 -10.582 -7.258 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.596 -11.967 -7.212 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.409 -9.920 -7.506 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.427 -12.678 -7.408 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.237 -10.625 -7.703 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.246 -12.005 -7.655 1.00 23.11 C ATOM 0 H PHE A 95 21.446 -11.640 -8.410 1.00 1.21 H new ATOM 0 HA PHE A 95 20.212 -9.017 -9.010 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.462 -10.308 -6.272 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.629 -8.819 -6.670 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.517 -12.497 -7.021 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.396 -8.841 -7.546 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.437 -13.757 -7.368 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.315 -10.097 -7.894 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.331 -12.557 -7.810 1.00 23.11 H new ATOM 1432 N THR A 96 22.298 -7.833 -8.432 1.00 53.44 N ATOM 1433 CA THR A 96 23.549 -7.132 -8.174 1.00 53.12 C ATOM 1434 C THR A 96 23.388 -6.117 -7.047 1.00 30.54 C ATOM 1435 O THR A 96 22.360 -5.449 -6.943 1.00 64.13 O ATOM 1436 CB THR A 96 24.057 -6.407 -9.433 1.00 32.55 C ATOM 1437 OG1 THR A 96 24.023 -7.294 -10.557 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.475 -5.894 -9.229 1.00 22.52 C ATOM 0 H THR A 96 21.628 -7.308 -8.994 1.00 53.44 H new ATOM 0 HA THR A 96 24.279 -7.886 -7.879 1.00 53.12 H new ATOM 0 HB THR A 96 23.403 -5.555 -9.622 1.00 32.55 H new ATOM 0 HG1 THR A 96 24.346 -6.824 -11.354 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.811 -5.386 -10.133 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.493 -5.196 -8.392 1.00 22.52 H new ATOM 0 HG23 THR A 96 26.138 -6.732 -9.016 1.00 22.52 H new ATOM 1446 N ALA A 97 24.411 -6.007 -6.206 1.00 62.01 N ATOM 1447 CA ALA A 97 24.385 -5.070 -5.089 1.00 43.35 C ATOM 1448 C ALA A 97 25.478 -4.018 -5.228 1.00 12.42 C ATOM 1449 O ALA A 97 26.468 -4.226 -5.928 1.00 52.21 O ATOM 1450 CB ALA A 97 24.533 -5.817 -3.771 1.00 10.43 C ATOM 0 H ALA A 97 25.268 -6.555 -6.277 1.00 62.01 H new ATOM 0 HA ALA A 97 23.423 -4.558 -5.099 1.00 43.35 H new ATOM 0 HB1 ALA A 97 24.512 -5.106 -2.945 1.00 10.43 H new ATOM 0 HB2 ALA A 97 23.712 -6.526 -3.660 1.00 10.43 H new ATOM 0 HB3 ALA A 97 25.481 -6.355 -3.762 1.00 10.43 H new ATOM 1456 N ASN A 98 25.292 -2.886 -4.557 1.00 22.42 N ATOM 1457 CA ASN A 98 26.263 -1.798 -4.607 1.00 70.24 C ATOM 1458 C ASN A 98 26.893 -1.568 -3.237 1.00 0.21 C ATOM 1459 O ASN A 98 26.450 -2.131 -2.237 1.00 44.32 O ATOM 1460 CB ASN A 98 25.595 -0.512 -5.098 1.00 53.32 C ATOM 1461 CG ASN A 98 25.196 -0.588 -6.559 1.00 65.42 C ATOM 1462 OD1 ASN A 98 26.038 -0.789 -7.434 1.00 61.01 O ATOM 1463 ND2 ASN A 98 23.905 -0.427 -6.828 1.00 50.32 N ATOM 0 H ASN A 98 24.478 -2.698 -3.972 1.00 22.42 H new ATOM 0 HA ASN A 98 27.051 -2.079 -5.306 1.00 70.24 H new ATOM 0 HB2 ASN A 98 24.711 -0.311 -4.493 1.00 53.32 H new ATOM 0 HB3 ASN A 98 26.277 0.326 -4.954 1.00 53.32 H new ATOM 0 HD21 ASN A 98 23.576 -0.468 -7.793 1.00 50.32 H new ATOM 0 HD22 ASN A 98 23.243 -0.263 -6.070 1.00 50.32 H new ATOM 1470 N ASP A 99 27.928 -0.736 -3.201 1.00 15.12 N ATOM 1471 CA ASP A 99 28.619 -0.428 -1.954 1.00 4.24 C ATOM 1472 C ASP A 99 27.761 0.465 -1.064 1.00 73.21 C ATOM 1473 O ASP A 99 27.935 1.683 -1.037 1.00 53.11 O ATOM 1474 CB ASP A 99 29.958 0.252 -2.241 1.00 62.12 C ATOM 1475 CG ASP A 99 30.857 -0.590 -3.126 1.00 13.14 C ATOM 1476 OD1 ASP A 99 30.489 -1.748 -3.413 1.00 52.50 O1- ATOM 1477 OD2 ASP A 99 31.928 -0.090 -3.530 1.00 55.13 O ATOM 0 H ASP A 99 28.307 -0.263 -4.021 1.00 15.12 H new ATOM 0 HA ASP A 99 28.803 -1.365 -1.429 1.00 4.24 H new ATOM 0 HB2 ASP A 99 29.778 1.214 -2.721 1.00 62.12 H new ATOM 0 HB3 ASP A 99 30.468 0.456 -1.299 1.00 62.12 H new ATOM 1482 N SER A 100 26.832 -0.148 -0.336 1.00 64.11 N ATOM 1483 CA SER A 100 25.944 0.592 0.552 1.00 51.44 C ATOM 1484 C SER A 100 26.070 0.091 1.987 1.00 2.13 C ATOM 1485 O SER A 100 26.370 0.859 2.900 1.00 24.13 O ATOM 1486 CB SER A 100 24.494 0.463 0.080 1.00 72.33 C ATOM 1487 OG SER A 100 23.589 0.794 1.119 1.00 61.25 O ATOM 0 H SER A 100 26.675 -1.156 -0.344 1.00 64.11 H new ATOM 0 HA SER A 100 26.236 1.642 0.525 1.00 51.44 H new ATOM 0 HB2 SER A 100 24.327 1.118 -0.775 1.00 72.33 H new ATOM 0 HB3 SER A 100 24.307 -0.556 -0.258 1.00 72.33 H new ATOM 0 HG SER A 100 22.669 0.705 0.792 1.00 61.25 H new ATOM 1493 N GLY A 101 25.838 -1.203 2.179 1.00 42.21 N ATOM 1494 CA GLY A 101 25.930 -1.786 3.505 1.00 53.22 C ATOM 1495 C GLY A 101 24.870 -2.841 3.750 1.00 10.13 C ATOM 1496 O GLY A 101 24.066 -3.159 2.874 1.00 41.01 O ATOM 0 H GLY A 101 25.588 -1.859 1.439 1.00 42.21 H new ATOM 0 HA2 GLY A 101 26.917 -2.230 3.635 1.00 53.22 H new ATOM 0 HA3 GLY A 101 25.834 -0.998 4.252 1.00 53.22 H new ATOM 1500 N PRO A 102 24.860 -3.405 4.967 1.00 72.31 N ATOM 1501 CA PRO A 102 23.897 -4.440 5.353 1.00 62.41 C ATOM 1502 C PRO A 102 22.480 -3.892 5.488 1.00 55.41 C ATOM 1503 O PRO A 102 22.240 -2.943 6.234 1.00 30.03 O ATOM 1504 CB PRO A 102 24.416 -4.920 6.710 1.00 3.05 C ATOM 1505 CG PRO A 102 25.184 -3.764 7.252 1.00 21.03 C ATOM 1506 CD PRO A 102 25.789 -3.074 6.061 1.00 22.35 C ATOM 0 HA PRO A 102 23.826 -5.230 4.605 1.00 62.41 H new ATOM 0 HB2 PRO A 102 23.596 -5.196 7.373 1.00 3.05 H new ATOM 0 HB3 PRO A 102 25.049 -5.801 6.603 1.00 3.05 H new ATOM 0 HG2 PRO A 102 24.533 -3.088 7.806 1.00 21.03 H new ATOM 0 HG3 PRO A 102 25.957 -4.099 7.943 1.00 21.03 H new ATOM 0 HD2 PRO A 102 25.862 -1.997 6.214 1.00 22.35 H new ATOM 0 HD3 PRO A 102 26.797 -3.436 5.856 1.00 22.35 H new ATOM 1514 N ARG A 103 21.546 -4.496 4.761 1.00 52.42 N ATOM 1515 CA ARG A 103 20.153 -4.068 4.800 1.00 64.24 C ATOM 1516 C ARG A 103 19.214 -5.271 4.828 1.00 1.20 C ATOM 1517 O ARG A 103 19.591 -6.374 4.431 1.00 43.01 O ATOM 1518 CB ARG A 103 19.833 -3.188 3.590 1.00 21.14 C ATOM 1519 CG ARG A 103 20.135 -1.715 3.813 1.00 71.15 C ATOM 1520 CD ARG A 103 18.944 -0.987 4.417 1.00 40.02 C ATOM 1521 NE ARG A 103 18.972 -1.011 5.877 1.00 23.44 N ATOM 1522 CZ ARG A 103 17.948 -0.638 6.637 1.00 72.30 C ATOM 1523 NH1 ARG A 103 16.822 -0.216 6.079 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 18.049 -0.687 7.960 1.00 23.55 N ATOM 0 H ARG A 103 21.729 -5.283 4.138 1.00 52.42 H new ATOM 0 HA ARG A 103 20.003 -3.490 5.712 1.00 64.24 H new ATOM 0 HB2 ARG A 103 20.405 -3.542 2.732 1.00 21.14 H new ATOM 0 HB3 ARG A 103 18.778 -3.300 3.338 1.00 21.14 H new ATOM 0 HG2 ARG A 103 20.997 -1.615 4.473 1.00 71.15 H new ATOM 0 HG3 ARG A 103 20.404 -1.250 2.865 1.00 71.15 H new ATOM 0 HD2 ARG A 103 18.937 0.047 4.071 1.00 40.02 H new ATOM 0 HD3 ARG A 103 18.021 -1.447 4.064 1.00 40.02 H new ATOM 0 HE ARG A 103 19.824 -1.331 6.338 1.00 23.44 H new ATOM 0 HH11 ARG A 103 16.740 -0.177 5.063 1.00 12.31 H new ATOM 0 HH12 ARG A 103 16.038 0.070 6.666 1.00 12.31 H new ATOM 0 HH21 ARG A 103 18.913 -1.011 8.394 1.00 23.55 H new ATOM 0 HH22 ARG A 103 17.262 -0.400 8.543 1.00 23.55 H new ATOM 1538 N ARG A 104 17.992 -5.051 5.301 1.00 42.23 N ATOM 1539 CA ARG A 104 17.001 -6.117 5.383 1.00 3.34 C ATOM 1540 C ARG A 104 15.798 -5.810 4.496 1.00 11.24 C ATOM 1541 O ARG A 104 15.064 -4.852 4.739 1.00 3.33 O ATOM 1542 CB ARG A 104 16.546 -6.309 6.831 1.00 1.21 C ATOM 1543 CG ARG A 104 16.052 -5.030 7.489 1.00 52.32 C ATOM 1544 CD ARG A 104 15.913 -5.196 8.993 1.00 23.35 C ATOM 1545 NE ARG A 104 17.209 -5.205 9.665 1.00 23.43 N ATOM 1546 CZ ARG A 104 17.353 -5.196 10.986 1.00 61.22 C ATOM 1547 NH1 ARG A 104 16.285 -5.177 11.773 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 18.566 -5.206 11.522 1.00 61.40 N ATOM 0 H ARG A 104 17.664 -4.144 5.633 1.00 42.23 H new ATOM 0 HA ARG A 104 17.465 -7.038 5.030 1.00 3.34 H new ATOM 0 HB2 ARG A 104 15.749 -7.052 6.857 1.00 1.21 H new ATOM 0 HB3 ARG A 104 17.375 -6.710 7.413 1.00 1.21 H new ATOM 0 HG2 ARG A 104 16.746 -4.217 7.274 1.00 52.32 H new ATOM 0 HG3 ARG A 104 15.089 -4.748 7.062 1.00 52.32 H new ATOM 0 HD2 ARG A 104 15.303 -4.385 9.392 1.00 23.35 H new ATOM 0 HD3 ARG A 104 15.387 -6.126 9.208 1.00 23.35 H new ATOM 0 HE ARG A 104 18.050 -5.219 9.089 1.00 23.43 H new ATOM 0 HH11 ARG A 104 15.350 -5.169 11.364 1.00 21.23 H new ATOM 0 HH12 ARG A 104 16.398 -5.170 12.787 1.00 21.23 H new ATOM 0 HH21 ARG A 104 19.389 -5.221 10.920 1.00 61.40 H new ATOM 0 HH22 ARG A 104 18.676 -5.199 12.536 1.00 61.40 H new ATOM 1562 N TYR A 105 15.603 -6.629 3.468 1.00 64.52 N ATOM 1563 CA TYR A 105 14.491 -6.444 2.543 1.00 43.23 C ATOM 1564 C TYR A 105 13.920 -7.788 2.101 1.00 12.34 C ATOM 1565 O TYR A 105 14.580 -8.822 2.209 1.00 73.32 O ATOM 1566 CB TYR A 105 14.945 -5.642 1.322 1.00 4.01 C ATOM 1567 CG TYR A 105 15.064 -4.158 1.582 1.00 12.10 C ATOM 1568 CD1 TYR A 105 13.991 -3.431 2.081 1.00 71.31 C ATOM 1569 CD2 TYR A 105 16.251 -3.482 1.328 1.00 32.04 C ATOM 1570 CE1 TYR A 105 14.096 -2.075 2.320 1.00 24.24 C ATOM 1571 CE2 TYR A 105 16.366 -2.125 1.565 1.00 72.42 C ATOM 1572 CZ TYR A 105 15.285 -1.426 2.061 1.00 22.41 C ATOM 1573 OH TYR A 105 15.395 -0.075 2.297 1.00 41.31 O ATOM 0 H TYR A 105 16.201 -7.427 3.254 1.00 64.52 H new ATOM 0 HA TYR A 105 13.708 -5.891 3.062 1.00 43.23 H new ATOM 0 HB2 TYR A 105 15.910 -6.022 0.987 1.00 4.01 H new ATOM 0 HB3 TYR A 105 14.238 -5.804 0.508 1.00 4.01 H new ATOM 0 HD1 TYR A 105 13.058 -3.935 2.286 1.00 71.31 H new ATOM 0 HD2 TYR A 105 17.099 -4.026 0.939 1.00 32.04 H new ATOM 0 HE1 TYR A 105 13.251 -1.525 2.708 1.00 24.24 H new ATOM 0 HE2 TYR A 105 17.296 -1.615 1.363 1.00 72.42 H new ATOM 0 HH TYR A 105 16.298 0.226 2.063 1.00 41.31 H new ATOM 1583 N THR A 106 12.688 -7.764 1.602 1.00 61.33 N ATOM 1584 CA THR A 106 12.027 -8.980 1.142 1.00 12.11 C ATOM 1585 C THR A 106 11.761 -8.927 -0.358 1.00 32.31 C ATOM 1586 O THR A 106 11.387 -7.884 -0.895 1.00 11.53 O ATOM 1587 CB THR A 106 10.695 -9.207 1.880 1.00 42.34 C ATOM 1588 OG1 THR A 106 10.931 -9.343 3.286 1.00 34.34 O ATOM 1589 CG2 THR A 106 9.991 -10.450 1.357 1.00 20.22 C ATOM 0 H THR A 106 12.128 -6.917 1.506 1.00 61.33 H new ATOM 0 HA THR A 106 12.701 -9.809 1.360 1.00 12.11 H new ATOM 0 HB THR A 106 10.054 -8.343 1.701 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.546 -10.187 3.602 1.00 34.34 H new ATOM 0 HG21 THR A 106 9.053 -10.590 1.894 1.00 20.22 H new ATOM 0 HG22 THR A 106 9.786 -10.332 0.293 1.00 20.22 H new ATOM 0 HG23 THR A 106 10.629 -11.321 1.509 1.00 20.22 H new ATOM 1597 N ILE A 107 11.956 -10.057 -1.028 1.00 71.42 N ATOM 1598 CA ILE A 107 11.735 -10.140 -2.466 1.00 74.04 C ATOM 1599 C ILE A 107 10.447 -10.894 -2.782 1.00 33.14 C ATOM 1600 O ILE A 107 10.276 -12.044 -2.381 1.00 43.14 O ATOM 1601 CB ILE A 107 12.911 -10.835 -3.178 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.219 -10.096 -2.890 1.00 62.44 C ATOM 1603 CG2 ILE A 107 12.656 -10.907 -4.676 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.197 -8.643 -3.310 1.00 2.32 C ATOM 0 H ILE A 107 12.267 -10.928 -0.598 1.00 71.42 H new ATOM 0 HA ILE A 107 11.653 -9.116 -2.832 1.00 74.04 H new ATOM 0 HB ILE A 107 12.998 -11.852 -2.795 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.432 -10.154 -1.823 1.00 62.44 H new ATOM 0 HG13 ILE A 107 15.034 -10.603 -3.406 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.496 -11.401 -5.165 1.00 32.41 H new ATOM 0 HG22 ILE A 107 11.744 -11.473 -4.863 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.546 -9.899 -5.075 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.157 -8.182 -3.076 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.015 -8.577 -4.383 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.404 -8.121 -2.775 1.00 2.32 H new ATOM 1616 N ALA A 108 9.546 -10.237 -3.505 1.00 44.40 N ATOM 1617 CA ALA A 108 8.275 -10.845 -3.879 1.00 61.41 C ATOM 1618 C ALA A 108 8.332 -11.408 -5.295 1.00 62.14 C ATOM 1619 O ALA A 108 8.521 -10.669 -6.260 1.00 70.45 O ATOM 1620 CB ALA A 108 7.149 -9.830 -3.757 1.00 74.04 C ATOM 0 H ALA A 108 9.673 -9.283 -3.844 1.00 44.40 H new ATOM 0 HA ALA A 108 8.080 -11.671 -3.195 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.206 -10.297 -4.039 1.00 74.04 H new ATOM 0 HB2 ALA A 108 7.086 -9.479 -2.727 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.347 -8.986 -4.417 1.00 74.04 H new ATOM 1626 N ALA A 109 8.168 -12.722 -5.411 1.00 63.14 N ATOM 1627 CA ALA A 109 8.199 -13.383 -6.710 1.00 74.21 C ATOM 1628 C ALA A 109 6.952 -14.235 -6.921 1.00 35.54 C ATOM 1629 O ALA A 109 6.480 -14.901 -6.000 1.00 62.10 O ATOM 1630 CB ALA A 109 9.452 -14.238 -6.837 1.00 25.13 C ATOM 0 H ALA A 109 8.012 -13.349 -4.622 1.00 63.14 H new ATOM 0 HA ALA A 109 8.217 -12.614 -7.482 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.462 -14.726 -7.812 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.335 -13.607 -6.738 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.457 -14.995 -6.052 1.00 25.13 H new ATOM 1636 N MET A 110 6.423 -14.209 -8.140 1.00 70.32 N ATOM 1637 CA MET A 110 5.230 -14.979 -8.473 1.00 45.12 C ATOM 1638 C MET A 110 5.552 -16.068 -9.492 1.00 15.33 C ATOM 1639 O MET A 110 6.372 -15.868 -10.390 1.00 41.41 O ATOM 1640 CB MET A 110 4.138 -14.058 -9.021 1.00 74.03 C ATOM 1641 CG MET A 110 3.326 -13.367 -7.938 1.00 13.10 C ATOM 1642 SD MET A 110 1.572 -13.268 -8.343 1.00 31.04 S ATOM 1643 CE MET A 110 0.868 -14.298 -7.058 1.00 0.14 C ATOM 0 H MET A 110 6.802 -13.663 -8.914 1.00 70.32 H new ATOM 0 HA MET A 110 4.869 -15.455 -7.561 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.598 -13.302 -9.657 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.466 -14.640 -9.652 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.448 -13.905 -6.998 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.716 -12.361 -7.782 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.126 -14.628 -7.360 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.506 -15.168 -6.899 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.796 -13.727 -6.133 1.00 0.14 H new ATOM 1653 N LEU A 111 4.905 -17.219 -9.345 1.00 31.10 N ATOM 1654 CA LEU A 111 5.124 -18.340 -10.253 1.00 3.04 C ATOM 1655 C LEU A 111 4.008 -18.425 -11.291 1.00 63.32 C ATOM 1656 O LEU A 111 2.838 -18.594 -10.947 1.00 10.01 O ATOM 1657 CB LEU A 111 5.206 -19.650 -9.467 1.00 34.42 C ATOM 1658 CG LEU A 111 6.613 -20.150 -9.141 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.481 -19.009 -8.632 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.556 -21.276 -8.119 1.00 11.55 C ATOM 0 H LEU A 111 4.225 -17.401 -8.607 1.00 31.10 H new ATOM 0 HA LEU A 111 6.068 -18.176 -10.773 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.661 -19.524 -8.531 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.690 -20.424 -10.035 1.00 34.42 H new ATOM 0 HG LEU A 111 7.060 -20.539 -10.056 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.479 -19.384 -8.405 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.549 -18.235 -9.396 1.00 40.44 H new ATOM 0 HD13 LEU A 111 7.037 -18.589 -7.729 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.567 -21.619 -7.899 1.00 11.55 H new ATOM 0 HD22 LEU A 111 6.089 -20.913 -7.203 1.00 11.55 H new ATOM 0 HD23 LEU A 111 5.971 -22.103 -8.521 1.00 11.55 H new ATOM 1672 N SER A 112 4.380 -18.310 -12.562 1.00 73.51 N ATOM 1673 CA SER A 112 3.411 -18.372 -13.649 1.00 51.32 C ATOM 1674 C SER A 112 4.024 -19.023 -14.886 1.00 24.21 C ATOM 1675 O SER A 112 4.670 -18.372 -15.706 1.00 14.52 O ATOM 1676 CB SER A 112 2.908 -16.969 -13.994 1.00 2.41 C ATOM 1677 OG SER A 112 3.787 -15.975 -13.497 1.00 5.42 O ATOM 0 H SER A 112 5.345 -18.174 -12.864 1.00 73.51 H new ATOM 0 HA SER A 112 2.569 -18.980 -13.318 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.815 -16.869 -15.075 1.00 2.41 H new ATOM 0 HB3 SER A 112 1.913 -16.822 -13.573 1.00 2.41 H new ATOM 0 HG SER A 112 3.913 -15.280 -14.177 1.00 5.42 H new ATOM 1683 N PRO A 113 3.816 -20.342 -15.024 1.00 54.43 N ATOM 1684 CA PRO A 113 4.339 -21.110 -16.157 1.00 23.13 C ATOM 1685 C PRO A 113 3.638 -20.763 -17.466 1.00 42.52 C ATOM 1686 O PRO A 113 4.273 -20.675 -18.517 1.00 32.13 O ATOM 1687 CB PRO A 113 4.050 -22.561 -15.764 1.00 11.42 C ATOM 1688 CG PRO A 113 2.893 -22.478 -14.831 1.00 14.31 C ATOM 1689 CD PRO A 113 3.055 -21.182 -14.085 1.00 11.21 C ATOM 0 HA PRO A 113 5.394 -20.904 -16.337 1.00 23.13 H new ATOM 0 HB2 PRO A 113 3.811 -23.168 -16.638 1.00 11.42 H new ATOM 0 HB3 PRO A 113 4.914 -23.020 -15.283 1.00 11.42 H new ATOM 0 HG2 PRO A 113 1.950 -22.499 -15.376 1.00 14.31 H new ATOM 0 HG3 PRO A 113 2.883 -23.325 -14.145 1.00 14.31 H new ATOM 0 HD2 PRO A 113 2.091 -20.737 -13.838 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.591 -21.323 -13.146 1.00 11.21 H new ATOM 1697 N TYR A 114 2.326 -20.567 -17.395 1.00 23.21 N ATOM 1698 CA TYR A 114 1.538 -20.231 -18.575 1.00 4.41 C ATOM 1699 C TYR A 114 1.654 -18.745 -18.903 1.00 5.12 C ATOM 1700 O TYR A 114 1.910 -18.369 -20.048 1.00 62.34 O ATOM 1701 CB TYR A 114 0.072 -20.604 -18.358 1.00 10.22 C ATOM 1702 CG TYR A 114 -0.123 -21.989 -17.784 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.040 -23.115 -18.593 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -0.391 -22.171 -16.433 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -0.218 -24.383 -18.073 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -0.568 -23.435 -15.904 1.00 70.43 C ATOM 1707 CZ TYR A 114 -0.481 -24.537 -16.728 1.00 23.21 C ATOM 1708 OH TYR A 114 -0.658 -25.798 -16.205 1.00 44.10 O ATOM 0 H TYR A 114 1.786 -20.635 -16.533 1.00 23.21 H new ATOM 0 HA TYR A 114 1.930 -20.802 -19.417 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -0.384 -19.875 -17.688 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -0.456 -20.537 -19.309 1.00 10.22 H new ATOM 0 HD1 TYR A 114 0.167 -22.998 -19.646 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -0.462 -21.310 -15.785 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.152 -25.248 -18.716 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -0.773 -23.559 -14.851 1.00 70.43 H new ATOM 0 HH TYR A 114 -0.834 -25.732 -15.243 1.00 44.10 H new ATOM 1718 N SER A 115 1.465 -17.907 -17.890 1.00 54.30 N ATOM 1719 CA SER A 115 1.545 -16.461 -18.070 1.00 50.32 C ATOM 1720 C SER A 115 2.978 -15.970 -17.885 1.00 24.11 C ATOM 1721 O SER A 115 3.880 -16.750 -17.581 1.00 43.12 O ATOM 1722 CB SER A 115 0.618 -15.752 -17.081 1.00 73.32 C ATOM 1723 OG SER A 115 0.255 -14.466 -17.554 1.00 23.24 O ATOM 0 H SER A 115 1.256 -18.203 -16.937 1.00 54.30 H new ATOM 0 HA SER A 115 1.228 -16.227 -19.086 1.00 50.32 H new ATOM 0 HB2 SER A 115 -0.279 -16.352 -16.924 1.00 73.32 H new ATOM 0 HB3 SER A 115 1.114 -15.661 -16.114 1.00 73.32 H new ATOM 0 HG SER A 115 -0.339 -14.034 -16.905 1.00 23.24 H new ATOM 1729 N TYR A 116 3.178 -14.670 -18.073 1.00 51.11 N ATOM 1730 CA TYR A 116 4.501 -14.072 -17.930 1.00 44.22 C ATOM 1731 C TYR A 116 4.948 -14.081 -16.471 1.00 31.31 C ATOM 1732 O TYR A 116 4.138 -13.905 -15.561 1.00 23.43 O ATOM 1733 CB TYR A 116 4.496 -12.640 -18.465 1.00 65.40 C ATOM 1734 CG TYR A 116 3.650 -11.690 -17.647 1.00 71.35 C ATOM 1735 CD1 TYR A 116 2.296 -11.532 -17.910 1.00 11.14 C ATOM 1736 CD2 TYR A 116 4.207 -10.951 -16.609 1.00 61.42 C ATOM 1737 CE1 TYR A 116 1.520 -10.665 -17.167 1.00 2.33 C ATOM 1738 CE2 TYR A 116 3.438 -10.083 -15.859 1.00 43.15 C ATOM 1739 CZ TYR A 116 2.095 -9.943 -16.141 1.00 73.22 C ATOM 1740 OH TYR A 116 1.325 -9.079 -15.396 1.00 0.32 O ATOM 0 H TYR A 116 2.442 -14.010 -18.325 1.00 51.11 H new ATOM 0 HA TYR A 116 5.206 -14.667 -18.510 1.00 44.22 H new ATOM 0 HB2 TYR A 116 5.520 -12.268 -18.493 1.00 65.40 H new ATOM 0 HB3 TYR A 116 4.131 -12.646 -19.492 1.00 65.40 H new ATOM 0 HD1 TYR A 116 1.842 -12.097 -18.710 1.00 11.14 H new ATOM 0 HD2 TYR A 116 5.258 -11.058 -16.386 1.00 61.42 H new ATOM 0 HE1 TYR A 116 0.469 -10.552 -17.387 1.00 2.33 H new ATOM 0 HE2 TYR A 116 3.886 -9.517 -15.056 1.00 43.15 H new ATOM 0 HH TYR A 116 1.882 -8.650 -14.713 1.00 0.32 H new ATOM 1750 N SER A 117 6.243 -14.287 -16.258 1.00 62.40 N ATOM 1751 CA SER A 117 6.800 -14.323 -14.910 1.00 41.11 C ATOM 1752 C SER A 117 6.782 -12.934 -14.279 1.00 1.43 C ATOM 1753 O SER A 117 6.988 -11.927 -14.957 1.00 74.14 O ATOM 1754 CB SER A 117 8.231 -14.862 -14.940 1.00 43.31 C ATOM 1755 OG SER A 117 8.364 -15.900 -15.896 1.00 60.44 O ATOM 0 H SER A 117 6.927 -14.432 -17.001 1.00 62.40 H new ATOM 0 HA SER A 117 6.182 -14.987 -14.306 1.00 41.11 H new ATOM 0 HB2 SER A 117 8.923 -14.054 -15.177 1.00 43.31 H new ATOM 0 HB3 SER A 117 8.503 -15.235 -13.953 1.00 43.31 H new ATOM 0 HG SER A 117 9.288 -16.227 -15.898 1.00 60.44 H new ATOM 1761 N THR A 118 6.535 -12.887 -12.974 1.00 44.23 N ATOM 1762 CA THR A 118 6.488 -11.623 -12.249 1.00 62.12 C ATOM 1763 C THR A 118 7.482 -11.615 -11.093 1.00 51.22 C ATOM 1764 O THR A 118 7.553 -12.566 -10.316 1.00 52.03 O ATOM 1765 CB THR A 118 5.077 -11.342 -11.699 1.00 41.11 C ATOM 1766 OG1 THR A 118 4.114 -12.148 -12.387 1.00 53.34 O ATOM 1767 CG2 THR A 118 4.719 -9.871 -11.854 1.00 30.23 C ATOM 0 H THR A 118 6.364 -13.710 -12.397 1.00 44.23 H new ATOM 0 HA THR A 118 6.755 -10.841 -12.960 1.00 62.12 H new ATOM 0 HB THR A 118 5.068 -11.592 -10.638 1.00 41.11 H new ATOM 0 HG1 THR A 118 3.220 -11.965 -12.031 1.00 53.34 H new ATOM 0 HG21 THR A 118 3.718 -9.696 -11.459 1.00 30.23 H new ATOM 0 HG22 THR A 118 5.437 -9.262 -11.305 1.00 30.23 H new ATOM 0 HG23 THR A 118 4.745 -9.600 -12.909 1.00 30.23 H new ATOM 1775 N MET A 119 8.250 -10.535 -10.987 1.00 51.10 N ATOM 1776 CA MET A 119 9.240 -10.403 -9.924 1.00 43.42 C ATOM 1777 C MET A 119 9.275 -8.976 -9.387 1.00 2.14 C ATOM 1778 O MET A 119 8.960 -8.026 -10.104 1.00 61.44 O ATOM 1779 CB MET A 119 10.626 -10.802 -10.435 1.00 20.41 C ATOM 1780 CG MET A 119 11.511 -11.426 -9.369 1.00 61.24 C ATOM 1781 SD MET A 119 11.566 -13.224 -9.476 1.00 43.35 S ATOM 1782 CE MET A 119 13.028 -13.577 -8.502 1.00 1.53 C ATOM 0 H MET A 119 8.206 -9.739 -11.624 1.00 51.10 H new ATOM 0 HA MET A 119 8.954 -11.071 -9.112 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.511 -11.507 -11.258 1.00 20.41 H new ATOM 0 HB3 MET A 119 11.124 -9.920 -10.838 1.00 20.41 H new ATOM 0 HG2 MET A 119 12.522 -11.029 -9.464 1.00 61.24 H new ATOM 0 HG3 MET A 119 11.146 -11.136 -8.384 1.00 61.24 H new ATOM 0 HE1 MET A 119 13.257 -14.641 -8.562 1.00 1.53 H new ATOM 0 HE2 MET A 119 13.870 -13.003 -8.888 1.00 1.53 H new ATOM 0 HE3 MET A 119 12.848 -13.302 -7.463 1.00 1.53 H new ATOM 1792 N ALA A 120 9.658 -8.834 -8.123 1.00 51.45 N ATOM 1793 CA ALA A 120 9.735 -7.522 -7.492 1.00 71.34 C ATOM 1794 C ALA A 120 11.006 -7.387 -6.658 1.00 72.32 C ATOM 1795 O ALA A 120 11.204 -8.119 -5.688 1.00 32.22 O ATOM 1796 CB ALA A 120 8.507 -7.279 -6.628 1.00 12.35 C ATOM 0 H ALA A 120 9.920 -9.611 -7.516 1.00 51.45 H new ATOM 0 HA ALA A 120 9.767 -6.769 -8.280 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.578 -6.296 -6.163 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.611 -7.324 -7.248 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.450 -8.043 -5.853 1.00 12.35 H new ATOM 1802 N VAL A 121 11.863 -6.447 -7.043 1.00 53.02 N ATOM 1803 CA VAL A 121 13.115 -6.217 -6.332 1.00 21.22 C ATOM 1804 C VAL A 121 13.098 -4.873 -5.611 1.00 45.24 C ATOM 1805 O VAL A 121 12.626 -3.873 -6.153 1.00 55.42 O ATOM 1806 CB VAL A 121 14.321 -6.260 -7.288 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.625 -6.207 -6.506 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.263 -7.504 -8.161 1.00 33.42 C ATOM 0 H VAL A 121 11.713 -5.832 -7.843 1.00 53.02 H new ATOM 0 HA VAL A 121 13.215 -7.018 -5.600 1.00 21.22 H new ATOM 0 HB VAL A 121 14.280 -5.386 -7.937 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.466 -6.238 -7.199 1.00 73.31 H new ATOM 0 HG12 VAL A 121 15.665 -5.284 -5.928 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.679 -7.061 -5.831 1.00 73.31 H new ATOM 0 HG21 VAL A 121 15.123 -7.519 -8.831 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.279 -8.393 -7.530 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.345 -7.493 -8.749 1.00 33.42 H new ATOM 1818 N VAL A 122 13.617 -4.856 -4.388 1.00 24.04 N ATOM 1819 CA VAL A 122 13.664 -3.635 -3.594 1.00 52.24 C ATOM 1820 C VAL A 122 15.102 -3.213 -3.319 1.00 2.02 C ATOM 1821 O VAL A 122 15.825 -3.877 -2.574 1.00 64.54 O ATOM 1822 CB VAL A 122 12.925 -3.808 -2.253 1.00 41.24 C ATOM 1823 CG1 VAL A 122 12.826 -2.478 -1.522 1.00 71.54 C ATOM 1824 CG2 VAL A 122 11.545 -4.406 -2.478 1.00 53.13 C ATOM 0 H VAL A 122 14.011 -5.675 -3.925 1.00 24.04 H new ATOM 0 HA VAL A 122 13.167 -2.860 -4.177 1.00 52.24 H new ATOM 0 HB VAL A 122 13.496 -4.496 -1.630 1.00 41.24 H new ATOM 0 HG11 VAL A 122 12.301 -2.620 -0.577 1.00 71.54 H new ATOM 0 HG12 VAL A 122 13.828 -2.095 -1.326 1.00 71.54 H new ATOM 0 HG13 VAL A 122 12.278 -1.764 -2.138 1.00 71.54 H new ATOM 0 HG21 VAL A 122 11.038 -4.521 -1.520 1.00 53.13 H new ATOM 0 HG22 VAL A 122 10.962 -3.745 -3.120 1.00 53.13 H new ATOM 0 HG23 VAL A 122 11.644 -5.381 -2.955 1.00 53.13 H new ATOM 1834 N THR A 123 15.514 -2.103 -3.924 1.00 65.41 N ATOM 1835 CA THR A 123 16.867 -1.591 -3.746 1.00 45.23 C ATOM 1836 C THR A 123 16.877 -0.371 -2.833 1.00 73.22 C ATOM 1837 O THR A 123 16.083 0.553 -3.006 1.00 50.41 O ATOM 1838 CB THR A 123 17.508 -1.214 -5.094 1.00 11.34 C ATOM 1839 OG1 THR A 123 16.585 -0.450 -5.879 1.00 23.43 O ATOM 1840 CG2 THR A 123 17.924 -2.460 -5.863 1.00 1.51 C ATOM 0 H THR A 123 14.929 -1.541 -4.542 1.00 65.41 H new ATOM 0 HA THR A 123 17.449 -2.390 -3.287 1.00 45.23 H new ATOM 0 HB THR A 123 18.397 -0.616 -4.894 1.00 11.34 H new ATOM 0 HG1 THR A 123 17.001 -0.213 -6.734 1.00 23.43 H new ATOM 0 HG21 THR A 123 18.374 -2.169 -6.812 1.00 1.51 H new ATOM 0 HG22 THR A 123 18.648 -3.025 -5.276 1.00 1.51 H new ATOM 0 HG23 THR A 123 17.048 -3.080 -6.053 1.00 1.51 H new ATOM 1848 N ASN A 124 17.782 -0.374 -1.859 1.00 2.14 N ATOM 1849 CA ASN A 124 17.896 0.735 -0.918 1.00 14.35 C ATOM 1850 C ASN A 124 18.007 2.065 -1.655 1.00 21.24 C ATOM 1851 O ASN A 124 18.383 2.125 -2.826 1.00 34.35 O ATOM 1852 CB ASN A 124 19.113 0.538 -0.011 1.00 43.11 C ATOM 1853 CG ASN A 124 20.305 -0.027 -0.758 1.00 33.41 C ATOM 1854 OD1 ASN A 124 21.023 0.701 -1.445 1.00 65.11 O ATOM 1855 ND2 ASN A 124 20.522 -1.331 -0.628 1.00 53.22 N ATOM 0 H ASN A 124 18.447 -1.131 -1.701 1.00 2.14 H new ATOM 0 HA ASN A 124 16.994 0.754 -0.306 1.00 14.35 H new ATOM 0 HB2 ASN A 124 19.388 1.493 0.437 1.00 43.11 H new ATOM 0 HB3 ASN A 124 18.849 -0.133 0.806 1.00 43.11 H new ATOM 0 HD21 ASN A 124 21.309 -1.767 -1.108 1.00 53.22 H new ATOM 0 HD22 ASN A 124 19.901 -1.896 -0.048 1.00 53.22 H new ATOM 1862 N PRO A 125 17.672 3.159 -0.956 1.00 1.24 N ATOM 1863 CA PRO A 125 17.728 4.510 -1.523 1.00 4.12 C ATOM 1864 C PRO A 125 19.158 4.981 -1.762 1.00 22.32 C ATOM 1865 O PRO A 125 19.938 5.135 -0.822 1.00 40.34 O ATOM 1866 CB PRO A 125 17.053 5.372 -0.453 1.00 23.43 C ATOM 1867 CG PRO A 125 17.246 4.619 0.818 1.00 21.31 C ATOM 1868 CD PRO A 125 17.216 3.163 0.445 1.00 10.43 C ATOM 0 HA PRO A 125 17.246 4.562 -2.499 1.00 4.12 H new ATOM 0 HB2 PRO A 125 17.505 6.362 -0.399 1.00 23.43 H new ATOM 0 HB3 PRO A 125 15.995 5.517 -0.671 1.00 23.43 H new ATOM 0 HG2 PRO A 125 18.194 4.882 1.287 1.00 21.31 H new ATOM 0 HG3 PRO A 125 16.459 4.855 1.535 1.00 21.31 H new ATOM 0 HD2 PRO A 125 17.873 2.571 1.083 1.00 10.43 H new ATOM 0 HD3 PRO A 125 16.215 2.744 0.543 1.00 10.43 H new ATOM 1876 N LYS A 126 19.498 5.207 -3.027 1.00 1.50 N ATOM 1877 CA LYS A 126 20.835 5.661 -3.390 1.00 65.42 C ATOM 1878 C LYS A 126 20.777 7.014 -4.093 1.00 33.33 C ATOM 1879 O LYS A 126 21.760 7.457 -4.687 1.00 12.21 O ATOM 1880 CB LYS A 126 21.517 4.633 -4.295 1.00 4.33 C ATOM 1881 CG LYS A 126 20.567 3.950 -5.263 1.00 21.32 C ATOM 1882 CD LYS A 126 19.937 4.946 -6.222 1.00 73.25 C ATOM 1883 CE LYS A 126 20.989 5.666 -7.049 1.00 21.43 C ATOM 1884 NZ LYS A 126 20.696 5.592 -8.508 1.00 72.12 N1+ ATOM 0 H LYS A 126 18.866 5.083 -3.818 1.00 1.50 H new ATOM 0 HA LYS A 126 21.416 5.771 -2.474 1.00 65.42 H new ATOM 0 HB2 LYS A 126 22.306 5.127 -4.861 1.00 4.33 H new ATOM 0 HB3 LYS A 126 21.996 3.876 -3.674 1.00 4.33 H new ATOM 0 HG2 LYS A 126 21.106 3.190 -5.829 1.00 21.32 H new ATOM 0 HG3 LYS A 126 19.784 3.436 -4.705 1.00 21.32 H new ATOM 0 HD2 LYS A 126 19.245 4.427 -6.885 1.00 73.25 H new ATOM 0 HD3 LYS A 126 19.353 5.675 -5.660 1.00 73.25 H new ATOM 0 HE2 LYS A 126 21.040 6.711 -6.742 1.00 21.43 H new ATOM 0 HE3 LYS A 126 21.968 5.228 -6.853 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 21.437 6.095 -9.037 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 20.672 4.596 -8.807 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 19.774 6.033 -8.700 1.00 72.12 H new ATOM 1898 N GLU A 127 19.620 7.665 -4.020 1.00 63.52 N ATOM 1899 CA GLU A 127 19.436 8.967 -4.650 1.00 4.22 C ATOM 1900 C GLU A 127 19.706 10.094 -3.657 1.00 54.22 C ATOM 1901 O GLU A 127 19.617 11.272 -4.001 1.00 33.32 O ATOM 1902 CB GLU A 127 18.017 9.093 -5.208 1.00 12.12 C ATOM 1903 CG GLU A 127 17.584 7.901 -6.044 1.00 23.42 C ATOM 1904 CD GLU A 127 16.255 8.127 -6.738 1.00 72.31 C ATOM 1905 OE1 GLU A 127 15.209 8.044 -6.061 1.00 44.44 O1- ATOM 1906 OE2 GLU A 127 16.263 8.388 -7.960 1.00 54.12 O ATOM 0 H GLU A 127 18.797 7.312 -3.531 1.00 63.52 H new ATOM 0 HA GLU A 127 20.149 9.049 -5.470 1.00 4.22 H new ATOM 0 HB2 GLU A 127 17.320 9.218 -4.380 1.00 12.12 H new ATOM 0 HB3 GLU A 127 17.954 9.995 -5.817 1.00 12.12 H new ATOM 0 HG2 GLU A 127 18.349 7.689 -6.791 1.00 23.42 H new ATOM 0 HG3 GLU A 127 17.511 7.021 -5.405 1.00 23.42 H new TER 1913 GLU A 127