USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 961 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 125 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 129 GLN : amide:sc= 0.578 K(o=0.58,f=0.0027) USER MOD Set 2.1: A 22 SER OG : rot 73:sc= 0.134 USER MOD Set 2.2: A 103 ASN : amide:sc= 0.633 K(o=1.8,f=-0.52) USER MOD Set 2.3: A 107 GLN : amide:sc= 1 K(o=1.8,f=-0.52) USER MOD Set 3.1: A 34 THR OG1 : rot 172:sc= 2.08 USER MOD Set 3.2: A 37 GLN : amide:sc= -0.861 K(o=2.7,f=1.8) USER MOD Set 3.3: A 93 LYS NZ :NH3+ 165:sc= 1.47 (180deg=1.15) USER MOD Set 4.1: A 30 MET CE :methyl -174:sc= -0.482 (180deg=-0.509) USER MOD Set 4.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 8 THR OG1 : rot -177:sc= 1.06 USER MOD Set 5.2: A 11 THR OG1 : rot 127:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.136 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.31) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0776 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.0345 K(o=-0.035,f=-0.75) USER MOD Single : A 21 ASN : amide:sc= -0.01 K(o=-0.01,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 91:sc= 0.0974 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0633 K(o=-0.063,f=-1.5) USER MOD Single : A 47 SER OG : rot 74:sc= 0.214 USER MOD Single : A 50 GLN : amide:sc= -0.0867 X(o=-0.087,f=-0.43) USER MOD Single : A 51 SER OG : rot 81:sc= 0.178 USER MOD Single : A 53 GLN : amide:sc= -0.0115 K(o=-0.012,f=-1.8) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.639 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 70 ASN : amide:sc= -0.0316 X(o=-0.032,f=-0.46) USER MOD Single : A 71 MET CE :methyl 165:sc= -0.015 (180deg=-0.329) USER MOD Single : A 75 SER OG : rot 77:sc= 1.4 USER MOD Single : A 76 SER OG : rot 76:sc= 0.34 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 94 THR OG1 : rot 8:sc= 0.286 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 54:sc= 1.26 USER MOD Single : A 102 SER OG : rot 88:sc= 1.27 USER MOD Single : A 108 THR OG1 : rot -69:sc= 1.04 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 13:sc= 0.965 USER MOD Single : A 122 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.14) USER MOD Single : A 126 MET CE :methyl 179:sc= -0.852 (180deg=-0.854) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= 1.19 K(o=1.2,f=-0.02) USER MOD Single : A 136 SER OG : rot 180:sc= 0.0218 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.690 12.337 10.688 1.00 22.50 N ATOM 2 CA GLY A 1 28.285 11.556 9.596 1.00 23.22 C ATOM 3 C GLY A 1 27.820 10.110 9.662 1.00 41.05 C ATOM 4 O GLY A 1 27.027 9.757 10.530 1.00 51.41 O ATOM 0 H1 GLY A 1 27.135 13.122 10.291 1.00 22.50 H new ATOM 0 H2 GLY A 1 27.068 11.725 11.254 1.00 22.50 H new ATOM 0 H3 GLY A 1 28.445 12.718 11.294 1.00 22.50 H new ATOM 0 HA2 GLY A 1 28.006 11.991 8.636 1.00 23.22 H new ATOM 0 HA3 GLY A 1 29.372 11.598 9.661 1.00 23.22 H new ATOM 8 N SER A 2 28.303 9.261 8.744 1.00 23.33 N ATOM 9 CA SER A 2 27.956 7.836 8.680 1.00 2.35 C ATOM 10 C SER A 2 26.448 7.576 8.852 1.00 64.05 C ATOM 11 O SER A 2 26.039 6.744 9.666 1.00 4.50 O ATOM 12 CB SER A 2 28.784 7.092 9.734 1.00 63.21 C ATOM 13 OG SER A 2 30.180 7.279 9.536 1.00 45.54 O ATOM 0 H SER A 2 28.955 9.550 8.015 1.00 23.33 H new ATOM 0 HA SER A 2 28.196 7.462 7.685 1.00 2.35 H new ATOM 0 HB2 SER A 2 28.507 7.443 10.728 1.00 63.21 H new ATOM 0 HB3 SER A 2 28.550 6.028 9.695 1.00 63.21 H new ATOM 0 HG SER A 2 30.676 6.792 10.227 1.00 45.54 H new ATOM 19 N GLY A 3 25.620 8.340 8.137 1.00 1.52 N ATOM 20 CA GLY A 3 24.175 8.220 8.175 1.00 22.24 C ATOM 21 C GLY A 3 23.764 7.038 7.313 1.00 10.13 C ATOM 22 O GLY A 3 24.342 5.956 7.426 1.00 63.23 O ATOM 0 H GLY A 3 25.949 9.071 7.506 1.00 1.52 H new ATOM 0 HA2 GLY A 3 23.834 8.077 9.200 1.00 22.24 H new ATOM 0 HA3 GLY A 3 23.710 9.135 7.809 1.00 22.24 H new ATOM 26 N ASN A 4 22.748 7.220 6.463 1.00 53.10 N ATOM 27 CA ASN A 4 22.231 6.191 5.546 1.00 55.43 C ATOM 28 C ASN A 4 21.775 4.885 6.240 1.00 14.41 C ATOM 29 O ASN A 4 21.465 3.891 5.586 1.00 15.14 O ATOM 30 CB ASN A 4 23.280 5.986 4.435 1.00 32.24 C ATOM 31 CG ASN A 4 22.822 5.044 3.334 1.00 73.00 C ATOM 32 OD1 ASN A 4 21.822 5.296 2.668 1.00 5.41 O ATOM 33 ND2 ASN A 4 23.568 3.985 3.079 1.00 3.25 N ATOM 0 H ASN A 4 22.249 8.106 6.390 1.00 53.10 H new ATOM 0 HA ASN A 4 21.299 6.542 5.103 1.00 55.43 H new ATOM 0 HB2 ASN A 4 23.526 6.953 3.996 1.00 32.24 H new ATOM 0 HB3 ASN A 4 24.196 5.595 4.879 1.00 32.24 H new ATOM 0 HD21 ASN A 4 23.318 3.357 2.315 1.00 3.25 H new ATOM 0 HD22 ASN A 4 24.395 3.795 3.645 1.00 3.25 H new ATOM 40 N SER A 5 21.702 4.868 7.573 1.00 64.52 N ATOM 41 CA SER A 5 21.287 3.721 8.372 1.00 11.44 C ATOM 42 C SER A 5 19.767 3.579 8.351 1.00 33.42 C ATOM 43 O SER A 5 19.259 2.472 8.167 1.00 4.30 O ATOM 44 CB SER A 5 21.812 3.829 9.814 1.00 3.54 C ATOM 45 OG SER A 5 22.390 5.091 10.122 1.00 11.41 O ATOM 0 H SER A 5 21.939 5.681 8.141 1.00 64.52 H new ATOM 0 HA SER A 5 21.721 2.824 7.931 1.00 11.44 H new ATOM 0 HB2 SER A 5 20.991 3.638 10.505 1.00 3.54 H new ATOM 0 HB3 SER A 5 22.556 3.049 9.979 1.00 3.54 H new ATOM 0 HG SER A 5 22.700 5.091 11.052 1.00 11.41 H new ATOM 51 N HIS A 6 19.050 4.686 8.562 1.00 13.30 N ATOM 52 CA HIS A 6 17.597 4.712 8.551 1.00 44.13 C ATOM 53 C HIS A 6 17.178 4.579 7.085 1.00 61.24 C ATOM 54 O HIS A 6 17.259 5.562 6.343 1.00 30.22 O ATOM 55 CB HIS A 6 17.068 6.028 9.160 1.00 34.12 C ATOM 56 CG HIS A 6 17.515 6.341 10.570 1.00 43.14 C ATOM 57 ND1 HIS A 6 18.050 5.466 11.487 1.00 70.44 N ATOM 58 CD2 HIS A 6 17.493 7.578 11.155 1.00 50.12 C ATOM 59 CE1 HIS A 6 18.367 6.157 12.591 1.00 54.42 C ATOM 60 NE2 HIS A 6 18.085 7.463 12.422 1.00 35.35 N ATOM 0 H HIS A 6 19.473 5.596 8.747 1.00 13.30 H new ATOM 0 HA HIS A 6 17.182 3.903 9.152 1.00 44.13 H new ATOM 0 HB2 HIS A 6 17.373 6.851 8.514 1.00 34.12 H new ATOM 0 HB3 HIS A 6 15.979 5.998 9.145 1.00 34.12 H new ATOM 0 HD2 HIS A 6 17.092 8.481 10.719 1.00 50.12 H new ATOM 0 HE1 HIS A 6 18.788 5.728 13.488 1.00 54.42 H new ATOM 0 HE2 HIS A 6 18.266 8.218 13.083 1.00 35.35 H new ATOM 68 N THR A 7 16.774 3.395 6.634 1.00 42.34 N ATOM 69 CA THR A 7 16.351 3.162 5.256 1.00 33.02 C ATOM 70 C THR A 7 14.831 3.009 5.199 1.00 51.52 C ATOM 71 O THR A 7 14.194 2.711 6.216 1.00 13.12 O ATOM 72 CB THR A 7 17.092 1.939 4.691 1.00 2.22 C ATOM 73 OG1 THR A 7 16.891 0.786 5.488 1.00 53.01 O ATOM 74 CG2 THR A 7 18.603 2.181 4.652 1.00 75.44 C ATOM 0 H THR A 7 16.731 2.562 7.221 1.00 42.34 H new ATOM 0 HA THR A 7 16.609 4.016 4.630 1.00 33.02 H new ATOM 0 HB THR A 7 16.690 1.785 3.690 1.00 2.22 H new ATOM 0 HG1 THR A 7 17.376 0.029 5.097 1.00 53.01 H new ATOM 0 HG21 THR A 7 19.102 1.300 4.248 1.00 75.44 H new ATOM 0 HG22 THR A 7 18.817 3.042 4.019 1.00 75.44 H new ATOM 0 HG23 THR A 7 18.967 2.374 5.661 1.00 75.44 H new ATOM 82 N THR A 8 14.251 3.210 4.017 1.00 64.41 N ATOM 83 CA THR A 8 12.820 3.090 3.777 1.00 20.04 C ATOM 84 C THR A 8 12.537 1.748 3.076 1.00 1.34 C ATOM 85 O THR A 8 13.378 1.277 2.305 1.00 23.13 O ATOM 86 CB THR A 8 12.323 4.281 2.925 1.00 55.33 C ATOM 87 OG1 THR A 8 13.371 4.956 2.239 1.00 52.31 O ATOM 88 CG2 THR A 8 11.554 5.292 3.773 1.00 2.23 C ATOM 0 H THR A 8 14.778 3.467 3.182 1.00 64.41 H new ATOM 0 HA THR A 8 12.282 3.111 4.725 1.00 20.04 H new ATOM 0 HB THR A 8 11.660 3.843 2.179 1.00 55.33 H new ATOM 0 HG1 THR A 8 13.003 5.725 1.756 1.00 52.31 H new ATOM 0 HG21 THR A 8 11.219 6.116 3.143 1.00 2.23 H new ATOM 0 HG22 THR A 8 10.689 4.806 4.224 1.00 2.23 H new ATOM 0 HG23 THR A 8 12.204 5.677 4.559 1.00 2.23 H new ATOM 96 N PRO A 9 11.350 1.151 3.279 1.00 34.30 N ATOM 97 CA PRO A 9 10.971 -0.117 2.655 1.00 62.31 C ATOM 98 C PRO A 9 10.905 0.066 1.140 1.00 4.24 C ATOM 99 O PRO A 9 11.486 -0.706 0.387 1.00 23.23 O ATOM 100 CB PRO A 9 9.629 -0.486 3.276 1.00 63.31 C ATOM 101 CG PRO A 9 9.056 0.832 3.774 1.00 72.11 C ATOM 102 CD PRO A 9 10.291 1.632 4.152 1.00 15.12 C ATOM 0 HA PRO A 9 11.688 -0.920 2.825 1.00 62.31 H new ATOM 0 HB2 PRO A 9 8.970 -0.953 2.544 1.00 63.31 H new ATOM 0 HB3 PRO A 9 9.753 -1.197 4.093 1.00 63.31 H new ATOM 0 HG2 PRO A 9 8.473 1.334 3.002 1.00 72.11 H new ATOM 0 HG3 PRO A 9 8.395 0.686 4.628 1.00 72.11 H new ATOM 0 HD2 PRO A 9 10.124 2.700 4.014 1.00 15.12 H new ATOM 0 HD3 PRO A 9 10.549 1.483 5.200 1.00 15.12 H new ATOM 110 N TRP A 10 10.282 1.163 0.708 1.00 22.13 N ATOM 111 CA TRP A 10 10.089 1.565 -0.672 1.00 32.03 C ATOM 112 C TRP A 10 11.402 1.762 -1.412 1.00 15.21 C ATOM 113 O TRP A 10 11.423 1.749 -2.639 1.00 73.52 O ATOM 114 CB TRP A 10 9.325 2.891 -0.660 1.00 61.50 C ATOM 115 CG TRP A 10 8.025 2.850 0.076 1.00 51.55 C ATOM 116 CD1 TRP A 10 7.732 3.459 1.246 1.00 5.22 C ATOM 117 CD2 TRP A 10 6.830 2.118 -0.296 1.00 13.15 C ATOM 118 NE1 TRP A 10 6.425 3.181 1.593 1.00 51.11 N ATOM 119 CE2 TRP A 10 5.822 2.346 0.682 1.00 24.44 C ATOM 120 CE3 TRP A 10 6.501 1.277 -1.372 1.00 60.42 C ATOM 121 CZ2 TRP A 10 4.548 1.772 0.583 1.00 62.23 C ATOM 122 CZ3 TRP A 10 5.228 0.696 -1.482 1.00 21.35 C ATOM 123 CH2 TRP A 10 4.247 0.939 -0.506 1.00 63.23 C ATOM 0 H TRP A 10 9.875 1.833 1.361 1.00 22.13 H new ATOM 0 HA TRP A 10 9.543 0.777 -1.190 1.00 32.03 H new ATOM 0 HB2 TRP A 10 9.958 3.657 -0.211 1.00 61.50 H new ATOM 0 HB3 TRP A 10 9.136 3.196 -1.689 1.00 61.50 H new ATOM 0 HD1 TRP A 10 8.414 4.068 1.820 1.00 5.22 H new ATOM 0 HE1 TRP A 10 5.963 3.550 2.424 1.00 51.11 H new ATOM 0 HE3 TRP A 10 7.243 1.073 -2.130 1.00 60.42 H new ATOM 0 HZ2 TRP A 10 3.803 1.969 1.339 1.00 62.23 H new ATOM 0 HZ3 TRP A 10 5.001 0.058 -2.323 1.00 21.35 H new ATOM 0 HH2 TRP A 10 3.269 0.489 -0.593 1.00 63.23 H new ATOM 134 N THR A 11 12.489 2.009 -0.688 1.00 42.20 N ATOM 135 CA THR A 11 13.790 2.207 -1.302 1.00 34.41 C ATOM 136 C THR A 11 14.401 0.880 -1.779 1.00 32.44 C ATOM 137 O THR A 11 15.287 0.929 -2.630 1.00 65.04 O ATOM 138 CB THR A 11 14.661 3.027 -0.336 1.00 13.32 C ATOM 139 OG1 THR A 11 14.136 4.350 -0.302 1.00 21.14 O ATOM 140 CG2 THR A 11 16.140 3.117 -0.704 1.00 11.14 C ATOM 0 H THR A 11 12.490 2.076 0.330 1.00 42.20 H new ATOM 0 HA THR A 11 13.705 2.786 -2.222 1.00 34.41 H new ATOM 0 HB THR A 11 14.623 2.511 0.623 1.00 13.32 H new ATOM 0 HG1 THR A 11 13.963 4.609 0.627 1.00 21.14 H new ATOM 0 HG21 THR A 11 16.664 3.716 0.040 1.00 11.14 H new ATOM 0 HG22 THR A 11 16.570 2.116 -0.732 1.00 11.14 H new ATOM 0 HG23 THR A 11 16.243 3.583 -1.684 1.00 11.14 H new ATOM 148 N ASN A 12 13.946 -0.293 -1.313 1.00 3.52 N ATOM 149 CA ASN A 12 14.506 -1.575 -1.743 1.00 21.14 C ATOM 150 C ASN A 12 13.409 -2.443 -2.346 1.00 54.34 C ATOM 151 O ASN A 12 12.417 -2.693 -1.666 1.00 44.32 O ATOM 152 CB ASN A 12 15.153 -2.327 -0.578 1.00 31.04 C ATOM 153 CG ASN A 12 16.536 -1.791 -0.262 1.00 21.34 C ATOM 154 OD1 ASN A 12 17.491 -2.114 -0.966 1.00 42.53 O ATOM 155 ND2 ASN A 12 16.681 -0.994 0.784 1.00 53.11 N ATOM 0 H ASN A 12 13.188 -0.376 -0.635 1.00 3.52 H new ATOM 0 HA ASN A 12 15.274 -1.366 -2.488 1.00 21.14 H new ATOM 0 HB2 ASN A 12 14.520 -2.243 0.305 1.00 31.04 H new ATOM 0 HB3 ASN A 12 15.221 -3.387 -0.822 1.00 31.04 H new ATOM 0 HD21 ASN A 12 17.603 -0.631 1.024 1.00 53.11 H new ATOM 0 HD22 ASN A 12 15.871 -0.743 1.350 1.00 53.11 H new ATOM 162 N PRO A 13 13.559 -2.955 -3.578 1.00 21.11 N ATOM 163 CA PRO A 13 12.548 -3.794 -4.215 1.00 11.53 C ATOM 164 C PRO A 13 12.310 -5.094 -3.441 1.00 33.34 C ATOM 165 O PRO A 13 11.209 -5.640 -3.505 1.00 63.34 O ATOM 166 CB PRO A 13 13.048 -4.039 -5.640 1.00 62.55 C ATOM 167 CG PRO A 13 14.558 -3.839 -5.524 1.00 2.31 C ATOM 168 CD PRO A 13 14.680 -2.748 -4.473 1.00 24.11 C ATOM 0 HA PRO A 13 11.574 -3.304 -4.227 1.00 11.53 H new ATOM 0 HB2 PRO A 13 12.801 -5.043 -5.986 1.00 62.55 H new ATOM 0 HB3 PRO A 13 12.603 -3.340 -6.348 1.00 62.55 H new ATOM 0 HG2 PRO A 13 15.064 -4.754 -5.216 1.00 2.31 H new ATOM 0 HG3 PRO A 13 14.999 -3.535 -6.474 1.00 2.31 H new ATOM 0 HD2 PRO A 13 15.628 -2.819 -3.940 1.00 24.11 H new ATOM 0 HD3 PRO A 13 14.644 -1.758 -4.927 1.00 24.11 H new ATOM 176 N GLY A 14 13.299 -5.586 -2.691 1.00 32.21 N ATOM 177 CA GLY A 14 13.173 -6.796 -1.901 1.00 73.33 C ATOM 178 C GLY A 14 12.316 -6.530 -0.670 1.00 32.35 C ATOM 179 O GLY A 14 11.323 -7.220 -0.440 1.00 5.25 O ATOM 0 H GLY A 14 14.216 -5.145 -2.620 1.00 32.21 H new ATOM 0 HA2 GLY A 14 12.724 -7.587 -2.502 1.00 73.33 H new ATOM 0 HA3 GLY A 14 14.160 -7.146 -1.598 1.00 73.33 H new ATOM 183 N LEU A 15 12.674 -5.505 0.112 1.00 31.43 N ATOM 184 CA LEU A 15 11.938 -5.125 1.317 1.00 3.43 C ATOM 185 C LEU A 15 10.504 -4.761 0.915 1.00 23.35 C ATOM 186 O LEU A 15 9.551 -5.154 1.585 1.00 0.45 O ATOM 187 CB LEU A 15 12.652 -3.952 2.025 1.00 73.41 C ATOM 188 CG LEU A 15 12.475 -3.869 3.557 1.00 63.32 C ATOM 189 CD1 LEU A 15 11.020 -3.922 4.032 1.00 12.12 C ATOM 190 CD2 LEU A 15 13.280 -4.957 4.278 1.00 13.34 C ATOM 0 H LEU A 15 13.485 -4.916 -0.076 1.00 31.43 H new ATOM 0 HA LEU A 15 11.904 -5.954 2.024 1.00 3.43 H new ATOM 0 HB2 LEU A 15 13.718 -4.018 1.807 1.00 73.41 H new ATOM 0 HB3 LEU A 15 12.294 -3.020 1.588 1.00 73.41 H new ATOM 0 HG LEU A 15 12.859 -2.883 3.819 1.00 63.32 H new ATOM 0 HD11 LEU A 15 10.990 -3.858 5.120 1.00 12.12 H new ATOM 0 HD12 LEU A 15 10.467 -3.086 3.604 1.00 12.12 H new ATOM 0 HD13 LEU A 15 10.566 -4.860 3.711 1.00 12.12 H new ATOM 0 HD21 LEU A 15 13.131 -4.867 5.354 1.00 13.34 H new ATOM 0 HD22 LEU A 15 12.943 -5.939 3.946 1.00 13.34 H new ATOM 0 HD23 LEU A 15 14.339 -4.839 4.047 1.00 13.34 H new ATOM 202 N ALA A 16 10.348 -4.040 -0.199 1.00 22.31 N ATOM 203 CA ALA A 16 9.062 -3.628 -0.726 1.00 61.04 C ATOM 204 C ALA A 16 8.212 -4.846 -1.084 1.00 53.23 C ATOM 205 O ALA A 16 7.024 -4.857 -0.754 1.00 3.15 O ATOM 206 CB ALA A 16 9.270 -2.741 -1.950 1.00 64.05 C ATOM 0 H ALA A 16 11.135 -3.724 -0.765 1.00 22.31 H new ATOM 0 HA ALA A 16 8.532 -3.060 0.038 1.00 61.04 H new ATOM 0 HB1 ALA A 16 8.302 -2.432 -2.345 1.00 64.05 H new ATOM 0 HB2 ALA A 16 9.844 -1.859 -1.667 1.00 64.05 H new ATOM 0 HB3 ALA A 16 9.813 -3.297 -2.714 1.00 64.05 H new ATOM 212 N GLU A 17 8.793 -5.847 -1.753 1.00 40.22 N ATOM 213 CA GLU A 17 8.082 -7.061 -2.128 1.00 2.13 C ATOM 214 C GLU A 17 7.630 -7.767 -0.851 1.00 64.13 C ATOM 215 O GLU A 17 6.469 -8.151 -0.742 1.00 23.20 O ATOM 216 CB GLU A 17 8.974 -7.997 -2.962 1.00 43.34 C ATOM 217 CG GLU A 17 8.159 -9.203 -3.464 1.00 53.43 C ATOM 218 CD GLU A 17 8.969 -10.476 -3.718 1.00 42.21 C ATOM 219 OE1 GLU A 17 9.909 -10.790 -2.946 1.00 52.33 O ATOM 220 OE2 GLU A 17 8.594 -11.238 -4.633 1.00 3.24 O ATOM 0 H GLU A 17 9.770 -5.833 -2.047 1.00 40.22 H new ATOM 0 HA GLU A 17 7.221 -6.797 -2.743 1.00 2.13 H new ATOM 0 HB2 GLU A 17 9.392 -7.453 -3.809 1.00 43.34 H new ATOM 0 HB3 GLU A 17 9.814 -8.342 -2.360 1.00 43.34 H new ATOM 0 HG2 GLU A 17 7.382 -9.426 -2.733 1.00 53.43 H new ATOM 0 HG3 GLU A 17 7.655 -8.921 -4.389 1.00 53.43 H new ATOM 227 N ASN A 18 8.525 -7.917 0.129 1.00 31.25 N ATOM 228 CA ASN A 18 8.191 -8.585 1.383 1.00 61.15 C ATOM 229 C ASN A 18 7.064 -7.845 2.096 1.00 34.44 C ATOM 230 O ASN A 18 6.153 -8.477 2.628 1.00 14.24 O ATOM 231 CB ASN A 18 9.422 -8.734 2.286 1.00 60.22 C ATOM 232 CG ASN A 18 10.365 -9.817 1.773 1.00 40.35 C ATOM 233 OD1 ASN A 18 9.925 -10.886 1.365 1.00 11.32 O ATOM 234 ND2 ASN A 18 11.669 -9.597 1.767 1.00 12.03 N ATOM 0 H ASN A 18 9.487 -7.583 0.075 1.00 31.25 H new ATOM 0 HA ASN A 18 7.843 -9.591 1.149 1.00 61.15 H new ATOM 0 HB2 ASN A 18 9.953 -7.783 2.339 1.00 60.22 H new ATOM 0 HB3 ASN A 18 9.103 -8.978 3.299 1.00 60.22 H new ATOM 0 HD21 ASN A 18 12.306 -10.316 1.423 1.00 12.03 H new ATOM 0 HD22 ASN A 18 12.038 -8.708 2.106 1.00 12.03 H new ATOM 241 N PHE A 19 7.099 -6.509 2.108 1.00 64.03 N ATOM 242 CA PHE A 19 6.066 -5.696 2.733 1.00 62.12 C ATOM 243 C PHE A 19 4.721 -5.998 2.065 1.00 44.21 C ATOM 244 O PHE A 19 3.721 -6.192 2.763 1.00 14.22 O ATOM 245 CB PHE A 19 6.438 -4.202 2.661 1.00 63.13 C ATOM 246 CG PHE A 19 5.321 -3.273 3.111 1.00 50.34 C ATOM 247 CD1 PHE A 19 4.731 -2.377 2.198 1.00 2.10 C ATOM 248 CD2 PHE A 19 4.850 -3.308 4.437 1.00 21.33 C ATOM 249 CE1 PHE A 19 3.731 -1.482 2.615 1.00 32.11 C ATOM 250 CE2 PHE A 19 3.842 -2.423 4.856 1.00 1.35 C ATOM 251 CZ PHE A 19 3.294 -1.499 3.950 1.00 41.11 C ATOM 0 H PHE A 19 7.849 -5.965 1.682 1.00 64.03 H new ATOM 0 HA PHE A 19 5.981 -5.944 3.791 1.00 62.12 H new ATOM 0 HB2 PHE A 19 7.318 -4.025 3.280 1.00 63.13 H new ATOM 0 HB3 PHE A 19 6.714 -3.954 1.636 1.00 63.13 H new ATOM 0 HD1 PHE A 19 5.051 -2.378 1.166 1.00 2.10 H new ATOM 0 HD2 PHE A 19 5.265 -4.019 5.136 1.00 21.33 H new ATOM 0 HE1 PHE A 19 3.300 -0.784 1.912 1.00 32.11 H new ATOM 0 HE2 PHE A 19 3.488 -2.453 5.876 1.00 1.35 H new ATOM 0 HZ PHE A 19 2.537 -0.802 4.280 1.00 41.11 H new ATOM 261 N LEU A 20 4.683 -6.024 0.730 1.00 31.45 N ATOM 262 CA LEU A 20 3.471 -6.305 -0.034 1.00 25.43 C ATOM 263 C LEU A 20 2.980 -7.711 0.245 1.00 21.41 C ATOM 264 O LEU A 20 1.834 -7.886 0.641 1.00 12.44 O ATOM 265 CB LEU A 20 3.724 -6.165 -1.543 1.00 32.42 C ATOM 266 CG LEU A 20 3.807 -4.702 -1.979 1.00 53.44 C ATOM 267 CD1 LEU A 20 4.573 -4.598 -3.302 1.00 71.13 C ATOM 268 CD2 LEU A 20 2.414 -4.069 -2.075 1.00 73.42 C ATOM 0 H LEU A 20 5.501 -5.849 0.147 1.00 31.45 H new ATOM 0 HA LEU A 20 2.717 -5.581 0.275 1.00 25.43 H new ATOM 0 HB2 LEU A 20 4.652 -6.674 -1.803 1.00 32.42 H new ATOM 0 HB3 LEU A 20 2.924 -6.662 -2.092 1.00 32.42 H new ATOM 0 HG LEU A 20 4.354 -4.140 -1.222 1.00 53.44 H new ATOM 0 HD11 LEU A 20 4.629 -3.554 -3.609 1.00 71.13 H new ATOM 0 HD12 LEU A 20 5.581 -4.993 -3.171 1.00 71.13 H new ATOM 0 HD13 LEU A 20 4.055 -5.174 -4.069 1.00 71.13 H new ATOM 0 HD21 LEU A 20 2.508 -3.029 -2.387 1.00 73.42 H new ATOM 0 HD22 LEU A 20 1.816 -4.615 -2.805 1.00 73.42 H new ATOM 0 HD23 LEU A 20 1.926 -4.113 -1.101 1.00 73.42 H new ATOM 280 N ASN A 21 3.855 -8.704 0.089 1.00 5.40 N ATOM 281 CA ASN A 21 3.530 -10.106 0.281 1.00 10.15 C ATOM 282 C ASN A 21 2.942 -10.338 1.667 1.00 43.11 C ATOM 283 O ASN A 21 1.872 -10.946 1.767 1.00 3.44 O ATOM 284 CB ASN A 21 4.766 -10.988 0.032 1.00 13.03 C ATOM 285 CG ASN A 21 5.132 -11.119 -1.445 1.00 61.25 C ATOM 286 OD1 ASN A 21 4.361 -10.780 -2.342 1.00 74.31 O ATOM 287 ND2 ASN A 21 6.292 -11.681 -1.752 1.00 43.34 N ATOM 0 H ASN A 21 4.826 -8.547 -0.180 1.00 5.40 H new ATOM 0 HA ASN A 21 2.771 -10.390 -0.448 1.00 10.15 H new ATOM 0 HB2 ASN A 21 5.615 -10.571 0.573 1.00 13.03 H new ATOM 0 HB3 ASN A 21 4.583 -11.981 0.442 1.00 13.03 H new ATOM 0 HD21 ASN A 21 6.543 -11.831 -2.729 1.00 43.34 H new ATOM 0 HD22 ASN A 21 6.934 -11.963 -1.011 1.00 43.34 H new ATOM 294 N SER A 22 3.574 -9.813 2.710 1.00 42.22 N ATOM 295 CA SER A 22 3.114 -9.951 4.080 1.00 41.22 C ATOM 296 C SER A 22 1.693 -9.393 4.242 1.00 10.41 C ATOM 297 O SER A 22 0.857 -10.010 4.908 1.00 1.25 O ATOM 298 CB SER A 22 4.118 -9.241 4.987 1.00 45.52 C ATOM 299 OG SER A 22 3.820 -9.505 6.333 1.00 35.20 O ATOM 0 H SER A 22 4.434 -9.271 2.623 1.00 42.22 H new ATOM 0 HA SER A 22 3.059 -11.003 4.359 1.00 41.22 H new ATOM 0 HB2 SER A 22 5.129 -9.577 4.757 1.00 45.52 H new ATOM 0 HB3 SER A 22 4.090 -8.167 4.804 1.00 45.52 H new ATOM 0 HG SER A 22 4.069 -10.428 6.548 1.00 35.20 H new ATOM 305 N PHE A 23 1.404 -8.224 3.660 1.00 1.54 N ATOM 306 CA PHE A 23 0.084 -7.609 3.739 1.00 24.31 C ATOM 307 C PHE A 23 -0.937 -8.471 3.008 1.00 74.03 C ATOM 308 O PHE A 23 -1.975 -8.802 3.577 1.00 72.41 O ATOM 309 CB PHE A 23 0.132 -6.191 3.155 1.00 52.41 C ATOM 310 CG PHE A 23 -1.220 -5.542 2.920 1.00 1.33 C ATOM 311 CD1 PHE A 23 -1.793 -5.551 1.633 1.00 21.44 C ATOM 312 CD2 PHE A 23 -1.904 -4.924 3.983 1.00 74.33 C ATOM 313 CE1 PHE A 23 -3.054 -4.971 1.416 1.00 22.11 C ATOM 314 CE2 PHE A 23 -3.162 -4.333 3.764 1.00 64.42 C ATOM 315 CZ PHE A 23 -3.745 -4.373 2.484 1.00 3.24 C ATOM 0 H PHE A 23 2.081 -7.682 3.123 1.00 1.54 H new ATOM 0 HA PHE A 23 -0.220 -7.537 4.783 1.00 24.31 H new ATOM 0 HB2 PHE A 23 0.709 -5.557 3.829 1.00 52.41 H new ATOM 0 HB3 PHE A 23 0.671 -6.223 2.208 1.00 52.41 H new ATOM 0 HD1 PHE A 23 -1.261 -6.005 0.810 1.00 21.44 H new ATOM 0 HD2 PHE A 23 -1.463 -4.903 4.969 1.00 74.33 H new ATOM 0 HE1 PHE A 23 -3.492 -4.985 0.429 1.00 22.11 H new ATOM 0 HE2 PHE A 23 -3.680 -3.849 4.578 1.00 64.42 H new ATOM 0 HZ PHE A 23 -4.723 -3.944 2.322 1.00 3.24 H new ATOM 325 N LEU A 24 -0.643 -8.835 1.760 1.00 54.32 N ATOM 326 CA LEU A 24 -1.495 -9.637 0.889 1.00 23.51 C ATOM 327 C LEU A 24 -1.908 -10.952 1.549 1.00 35.22 C ATOM 328 O LEU A 24 -3.078 -11.338 1.454 1.00 22.11 O ATOM 329 CB LEU A 24 -0.756 -9.888 -0.436 1.00 31.35 C ATOM 330 CG LEU A 24 -0.592 -8.634 -1.313 1.00 11.04 C ATOM 331 CD1 LEU A 24 0.415 -8.936 -2.422 1.00 35.51 C ATOM 332 CD2 LEU A 24 -1.920 -8.148 -1.901 1.00 2.14 C ATOM 0 H LEU A 24 0.233 -8.567 1.312 1.00 54.32 H new ATOM 0 HA LEU A 24 -2.416 -9.087 0.695 1.00 23.51 H new ATOM 0 HB2 LEU A 24 0.231 -10.297 -0.217 1.00 31.35 H new ATOM 0 HB3 LEU A 24 -1.296 -10.646 -1.003 1.00 31.35 H new ATOM 0 HG LEU A 24 -0.225 -7.823 -0.683 1.00 11.04 H new ATOM 0 HD11 LEU A 24 0.540 -8.054 -3.050 1.00 35.51 H new ATOM 0 HD12 LEU A 24 1.374 -9.205 -1.979 1.00 35.51 H new ATOM 0 HD13 LEU A 24 0.051 -9.765 -3.028 1.00 35.51 H new ATOM 0 HD21 LEU A 24 -1.745 -7.261 -2.511 1.00 2.14 H new ATOM 0 HD22 LEU A 24 -2.353 -8.934 -2.520 1.00 2.14 H new ATOM 0 HD23 LEU A 24 -2.608 -7.902 -1.092 1.00 2.14 H new ATOM 344 N GLN A 25 -0.976 -11.623 2.236 1.00 55.11 N ATOM 345 CA GLN A 25 -1.238 -12.883 2.924 1.00 63.00 C ATOM 346 C GLN A 25 -2.332 -12.699 3.980 1.00 14.22 C ATOM 347 O GLN A 25 -3.289 -13.476 4.014 1.00 2.20 O ATOM 348 CB GLN A 25 0.039 -13.399 3.609 1.00 41.12 C ATOM 349 CG GLN A 25 1.074 -13.996 2.647 1.00 1.52 C ATOM 350 CD GLN A 25 2.334 -14.402 3.407 1.00 62.35 C ATOM 351 OE1 GLN A 25 3.370 -13.751 3.331 1.00 44.42 O ATOM 352 NE2 GLN A 25 2.250 -15.462 4.196 1.00 73.05 N ATOM 0 H GLN A 25 -0.013 -11.300 2.328 1.00 55.11 H new ATOM 0 HA GLN A 25 -1.569 -13.609 2.181 1.00 63.00 H new ATOM 0 HB2 GLN A 25 0.501 -12.578 4.157 1.00 41.12 H new ATOM 0 HB3 GLN A 25 -0.237 -14.156 4.343 1.00 41.12 H new ATOM 0 HG2 GLN A 25 0.651 -14.864 2.141 1.00 1.52 H new ATOM 0 HG3 GLN A 25 1.325 -13.268 1.876 1.00 1.52 H new ATOM 0 HE21 GLN A 25 1.380 -15.992 4.247 1.00 73.05 H new ATOM 0 HE22 GLN A 25 3.055 -15.748 4.753 1.00 73.05 H new ATOM 361 N GLY A 26 -2.197 -11.692 4.847 1.00 42.11 N ATOM 362 CA GLY A 26 -3.159 -11.428 5.906 1.00 2.44 C ATOM 363 C GLY A 26 -4.475 -10.900 5.365 1.00 53.33 C ATOM 364 O GLY A 26 -5.535 -11.400 5.746 1.00 51.42 O ATOM 0 H GLY A 26 -1.414 -11.039 4.829 1.00 42.11 H new ATOM 0 HA2 GLY A 26 -3.340 -12.345 6.467 1.00 2.44 H new ATOM 0 HA3 GLY A 26 -2.739 -10.705 6.605 1.00 2.44 H new ATOM 368 N LEU A 27 -4.413 -9.907 4.472 1.00 72.34 N ATOM 369 CA LEU A 27 -5.557 -9.254 3.842 1.00 22.52 C ATOM 370 C LEU A 27 -6.477 -10.280 3.182 1.00 34.31 C ATOM 371 O LEU A 27 -7.692 -10.135 3.279 1.00 25.24 O ATOM 372 CB LEU A 27 -5.040 -8.198 2.852 1.00 50.24 C ATOM 373 CG LEU A 27 -6.012 -7.136 2.328 1.00 51.25 C ATOM 374 CD1 LEU A 27 -6.938 -7.708 1.262 1.00 40.41 C ATOM 375 CD2 LEU A 27 -6.795 -6.420 3.437 1.00 13.22 C ATOM 0 H LEU A 27 -3.523 -9.522 4.157 1.00 72.34 H new ATOM 0 HA LEU A 27 -6.162 -8.750 4.595 1.00 22.52 H new ATOM 0 HB2 LEU A 27 -4.209 -7.678 3.329 1.00 50.24 H new ATOM 0 HB3 LEU A 27 -4.633 -8.726 1.990 1.00 50.24 H new ATOM 0 HG LEU A 27 -5.395 -6.368 1.862 1.00 51.25 H new ATOM 0 HD11 LEU A 27 -7.615 -6.929 0.912 1.00 40.41 H new ATOM 0 HD12 LEU A 27 -6.345 -8.077 0.425 1.00 40.41 H new ATOM 0 HD13 LEU A 27 -7.518 -8.528 1.686 1.00 40.41 H new ATOM 0 HD21 LEU A 27 -7.463 -5.682 2.993 1.00 13.22 H new ATOM 0 HD22 LEU A 27 -7.380 -7.149 3.998 1.00 13.22 H new ATOM 0 HD23 LEU A 27 -6.098 -5.920 4.110 1.00 13.22 H new ATOM 387 N SER A 28 -5.922 -11.328 2.565 1.00 73.11 N ATOM 388 CA SER A 28 -6.691 -12.384 1.916 1.00 73.24 C ATOM 389 C SER A 28 -7.687 -13.014 2.894 1.00 54.14 C ATOM 390 O SER A 28 -8.831 -13.288 2.521 1.00 43.13 O ATOM 391 CB SER A 28 -5.708 -13.427 1.364 1.00 23.43 C ATOM 392 OG SER A 28 -6.369 -14.472 0.675 1.00 62.42 O ATOM 0 H SER A 28 -4.913 -11.465 2.504 1.00 73.11 H new ATOM 0 HA SER A 28 -7.277 -11.969 1.096 1.00 73.24 H new ATOM 0 HB2 SER A 28 -5.003 -12.939 0.691 1.00 23.43 H new ATOM 0 HB3 SER A 28 -5.127 -13.846 2.185 1.00 23.43 H new ATOM 0 HG SER A 28 -5.707 -15.112 0.339 1.00 62.42 H new ATOM 398 N SER A 29 -7.265 -13.247 4.136 1.00 53.51 N ATOM 399 CA SER A 29 -8.078 -13.852 5.182 1.00 64.20 C ATOM 400 C SER A 29 -8.858 -12.816 6.009 1.00 24.33 C ATOM 401 O SER A 29 -9.651 -13.201 6.867 1.00 22.35 O ATOM 402 CB SER A 29 -7.149 -14.708 6.053 1.00 31.15 C ATOM 403 OG SER A 29 -6.393 -15.600 5.237 1.00 11.34 O ATOM 0 H SER A 29 -6.322 -13.013 4.448 1.00 53.51 H new ATOM 0 HA SER A 29 -8.848 -14.475 4.728 1.00 64.20 H new ATOM 0 HB2 SER A 29 -6.477 -14.065 6.621 1.00 31.15 H new ATOM 0 HB3 SER A 29 -7.736 -15.274 6.776 1.00 31.15 H new ATOM 0 HG SER A 29 -5.802 -16.140 5.803 1.00 11.34 H new ATOM 409 N MET A 30 -8.645 -11.514 5.803 1.00 53.21 N ATOM 410 CA MET A 30 -9.343 -10.460 6.530 1.00 1.13 C ATOM 411 C MET A 30 -10.728 -10.214 5.928 1.00 53.35 C ATOM 412 O MET A 30 -10.945 -10.477 4.747 1.00 41.43 O ATOM 413 CB MET A 30 -8.528 -9.157 6.444 1.00 32.14 C ATOM 414 CG MET A 30 -7.336 -9.210 7.392 1.00 24.52 C ATOM 415 SD MET A 30 -7.744 -9.011 9.139 1.00 43.21 S ATOM 416 CE MET A 30 -8.013 -7.231 9.169 1.00 34.12 C ATOM 0 H MET A 30 -7.975 -11.162 5.119 1.00 53.21 H new ATOM 0 HA MET A 30 -9.456 -10.772 7.568 1.00 1.13 H new ATOM 0 HB2 MET A 30 -8.181 -9.005 5.422 1.00 32.14 H new ATOM 0 HB3 MET A 30 -9.162 -8.307 6.695 1.00 32.14 H new ATOM 0 HG2 MET A 30 -6.827 -10.165 7.259 1.00 24.52 H new ATOM 0 HG3 MET A 30 -6.630 -8.430 7.108 1.00 24.52 H new ATOM 0 HE1 MET A 30 -8.173 -6.904 10.197 1.00 34.12 H new ATOM 0 HE2 MET A 30 -7.140 -6.724 8.759 1.00 34.12 H new ATOM 0 HE3 MET A 30 -8.890 -6.985 8.570 1.00 34.12 H new ATOM 426 N PRO A 31 -11.648 -9.596 6.686 1.00 52.52 N ATOM 427 CA PRO A 31 -13.004 -9.276 6.228 1.00 4.22 C ATOM 428 C PRO A 31 -13.049 -8.041 5.306 1.00 61.52 C ATOM 429 O PRO A 31 -14.074 -7.373 5.184 1.00 61.13 O ATOM 430 CB PRO A 31 -13.775 -9.030 7.517 1.00 2.41 C ATOM 431 CG PRO A 31 -12.726 -8.435 8.453 1.00 33.14 C ATOM 432 CD PRO A 31 -11.489 -9.243 8.093 1.00 20.35 C ATOM 0 HA PRO A 31 -13.424 -10.079 5.622 1.00 4.22 H new ATOM 0 HB2 PRO A 31 -14.609 -8.345 7.361 1.00 2.41 H new ATOM 0 HB3 PRO A 31 -14.192 -9.954 7.918 1.00 2.41 H new ATOM 0 HG2 PRO A 31 -12.582 -7.369 8.280 1.00 33.14 H new ATOM 0 HG3 PRO A 31 -13.000 -8.553 9.501 1.00 33.14 H new ATOM 0 HD2 PRO A 31 -10.581 -8.661 8.251 1.00 20.35 H new ATOM 0 HD3 PRO A 31 -11.409 -10.135 8.714 1.00 20.35 H new ATOM 440 N GLY A 32 -11.902 -7.649 4.763 1.00 62.44 N ATOM 441 CA GLY A 32 -11.754 -6.510 3.877 1.00 12.31 C ATOM 442 C GLY A 32 -12.057 -6.931 2.454 1.00 32.11 C ATOM 443 O GLY A 32 -13.159 -6.704 1.954 1.00 20.03 O ATOM 0 H GLY A 32 -11.022 -8.135 4.936 1.00 62.44 H new ATOM 0 HA2 GLY A 32 -12.428 -5.709 4.182 1.00 12.31 H new ATOM 0 HA3 GLY A 32 -10.740 -6.115 3.942 1.00 12.31 H new ATOM 447 N PHE A 33 -11.059 -7.484 1.766 1.00 65.02 N ATOM 448 CA PHE A 33 -11.276 -7.926 0.398 1.00 42.32 C ATOM 449 C PHE A 33 -11.618 -9.424 0.422 1.00 71.35 C ATOM 450 O PHE A 33 -11.691 -10.036 1.491 1.00 10.53 O ATOM 451 CB PHE A 33 -10.064 -7.529 -0.450 1.00 33.04 C ATOM 452 CG PHE A 33 -9.832 -6.021 -0.539 1.00 73.43 C ATOM 453 CD1 PHE A 33 -9.241 -5.288 0.513 1.00 52.54 C ATOM 454 CD2 PHE A 33 -10.210 -5.330 -1.704 1.00 3.12 C ATOM 455 CE1 PHE A 33 -8.973 -3.921 0.350 1.00 41.21 C ATOM 456 CE2 PHE A 33 -9.986 -3.952 -1.838 1.00 42.25 C ATOM 457 CZ PHE A 33 -9.348 -3.242 -0.817 1.00 24.43 C ATOM 0 H PHE A 33 -10.116 -7.632 2.126 1.00 65.02 H new ATOM 0 HA PHE A 33 -12.126 -7.439 -0.079 1.00 42.32 H new ATOM 0 HB2 PHE A 33 -9.173 -7.999 -0.034 1.00 33.04 H new ATOM 0 HB3 PHE A 33 -10.193 -7.926 -1.457 1.00 33.04 H new ATOM 0 HD1 PHE A 33 -8.995 -5.780 1.443 1.00 52.54 H new ATOM 0 HD2 PHE A 33 -10.682 -5.871 -2.511 1.00 3.12 H new ATOM 0 HE1 PHE A 33 -8.468 -3.382 1.138 1.00 41.21 H new ATOM 0 HE2 PHE A 33 -10.307 -3.438 -2.732 1.00 42.25 H new ATOM 0 HZ PHE A 33 -9.147 -2.186 -0.926 1.00 24.43 H new ATOM 467 N THR A 34 -11.880 -10.013 -0.740 1.00 24.13 N ATOM 468 CA THR A 34 -12.217 -11.423 -0.907 1.00 23.24 C ATOM 469 C THR A 34 -11.299 -12.014 -1.970 1.00 34.30 C ATOM 470 O THR A 34 -10.631 -11.260 -2.676 1.00 53.01 O ATOM 471 CB THR A 34 -13.704 -11.575 -1.265 1.00 44.30 C ATOM 472 OG1 THR A 34 -14.105 -10.652 -2.260 1.00 30.23 O ATOM 473 CG2 THR A 34 -14.575 -11.367 -0.030 1.00 73.32 C ATOM 0 H THR A 34 -11.863 -9.504 -1.623 1.00 24.13 H new ATOM 0 HA THR A 34 -12.064 -11.970 0.024 1.00 23.24 H new ATOM 0 HB THR A 34 -13.833 -12.586 -1.652 1.00 44.30 H new ATOM 0 HG1 THR A 34 -15.014 -10.866 -2.557 1.00 30.23 H new ATOM 0 HG21 THR A 34 -15.625 -11.478 -0.302 1.00 73.32 H new ATOM 0 HG22 THR A 34 -14.316 -12.107 0.727 1.00 73.32 H new ATOM 0 HG23 THR A 34 -14.408 -10.367 0.369 1.00 73.32 H new ATOM 481 N ALA A 35 -11.307 -13.339 -2.134 1.00 41.23 N ATOM 482 CA ALA A 35 -10.469 -14.043 -3.098 1.00 32.44 C ATOM 483 C ALA A 35 -10.545 -13.446 -4.504 1.00 54.34 C ATOM 484 O ALA A 35 -9.520 -13.350 -5.169 1.00 60.23 O ATOM 485 CB ALA A 35 -10.869 -15.515 -3.120 1.00 21.24 C ATOM 0 H ALA A 35 -11.907 -13.960 -1.590 1.00 41.23 H new ATOM 0 HA ALA A 35 -9.432 -13.936 -2.779 1.00 32.44 H new ATOM 0 HB1 ALA A 35 -10.248 -16.050 -3.838 1.00 21.24 H new ATOM 0 HB2 ALA A 35 -10.729 -15.945 -2.128 1.00 21.24 H new ATOM 0 HB3 ALA A 35 -11.916 -15.603 -3.409 1.00 21.24 H new ATOM 491 N SER A 36 -11.738 -13.033 -4.950 1.00 12.54 N ATOM 492 CA SER A 36 -11.921 -12.431 -6.264 1.00 52.51 C ATOM 493 C SER A 36 -11.053 -11.167 -6.360 1.00 61.34 C ATOM 494 O SER A 36 -10.158 -11.079 -7.196 1.00 42.35 O ATOM 495 CB SER A 36 -13.419 -12.136 -6.432 1.00 11.14 C ATOM 496 OG SER A 36 -13.689 -11.464 -7.636 1.00 3.34 O ATOM 0 H SER A 36 -12.598 -13.109 -4.407 1.00 12.54 H new ATOM 0 HA SER A 36 -11.607 -13.095 -7.070 1.00 52.51 H new ATOM 0 HB2 SER A 36 -13.978 -13.071 -6.405 1.00 11.14 H new ATOM 0 HB3 SER A 36 -13.766 -11.532 -5.594 1.00 11.14 H new ATOM 0 HG SER A 36 -14.652 -11.295 -7.708 1.00 3.34 H new ATOM 502 N GLN A 37 -11.253 -10.228 -5.431 1.00 65.02 N ATOM 503 CA GLN A 37 -10.514 -8.975 -5.382 1.00 3.44 C ATOM 504 C GLN A 37 -9.011 -9.226 -5.166 1.00 24.32 C ATOM 505 O GLN A 37 -8.179 -8.491 -5.701 1.00 63.05 O ATOM 506 CB GLN A 37 -11.088 -8.119 -4.244 1.00 51.12 C ATOM 507 CG GLN A 37 -12.513 -7.570 -4.479 1.00 22.21 C ATOM 508 CD GLN A 37 -13.117 -7.020 -3.182 1.00 13.45 C ATOM 509 OE1 GLN A 37 -13.190 -5.825 -2.900 1.00 25.35 O ATOM 510 NE2 GLN A 37 -13.519 -7.902 -2.287 1.00 51.22 N ATOM 0 H GLN A 37 -11.942 -10.323 -4.685 1.00 65.02 H new ATOM 0 HA GLN A 37 -10.620 -8.452 -6.332 1.00 3.44 H new ATOM 0 HB2 GLN A 37 -11.093 -8.715 -3.331 1.00 51.12 H new ATOM 0 HB3 GLN A 37 -10.417 -7.277 -4.072 1.00 51.12 H new ATOM 0 HG2 GLN A 37 -12.482 -6.782 -5.231 1.00 22.21 H new ATOM 0 HG3 GLN A 37 -13.150 -8.362 -4.873 1.00 22.21 H new ATOM 0 HE21 GLN A 37 -13.469 -8.899 -2.496 1.00 51.22 H new ATOM 0 HE22 GLN A 37 -13.880 -7.587 -1.387 1.00 51.22 H new ATOM 519 N LEU A 38 -8.628 -10.244 -4.389 1.00 52.22 N ATOM 520 CA LEU A 38 -7.231 -10.568 -4.130 1.00 50.01 C ATOM 521 C LEU A 38 -6.474 -10.948 -5.401 1.00 54.53 C ATOM 522 O LEU A 38 -5.247 -10.853 -5.396 1.00 55.42 O ATOM 523 CB LEU A 38 -7.069 -11.671 -3.072 1.00 34.11 C ATOM 524 CG LEU A 38 -6.846 -11.189 -1.629 1.00 15.10 C ATOM 525 CD1 LEU A 38 -5.690 -10.187 -1.490 1.00 34.44 C ATOM 526 CD2 LEU A 38 -8.119 -10.620 -1.000 1.00 35.31 C ATOM 0 H LEU A 38 -9.286 -10.867 -3.922 1.00 52.22 H new ATOM 0 HA LEU A 38 -6.791 -9.653 -3.734 1.00 50.01 H new ATOM 0 HB2 LEU A 38 -7.959 -12.300 -3.091 1.00 34.11 H new ATOM 0 HB3 LEU A 38 -6.227 -12.302 -3.358 1.00 34.11 H new ATOM 0 HG LEU A 38 -6.563 -12.086 -1.078 1.00 15.10 H new ATOM 0 HD11 LEU A 38 -5.590 -9.890 -0.446 1.00 34.44 H new ATOM 0 HD12 LEU A 38 -4.763 -10.652 -1.826 1.00 34.44 H new ATOM 0 HD13 LEU A 38 -5.896 -9.307 -2.100 1.00 34.44 H new ATOM 0 HD21 LEU A 38 -7.907 -10.294 0.018 1.00 35.31 H new ATOM 0 HD22 LEU A 38 -8.467 -9.771 -1.588 1.00 35.31 H new ATOM 0 HD23 LEU A 38 -8.891 -11.389 -0.982 1.00 35.31 H new ATOM 538 N ASP A 39 -7.154 -11.426 -6.447 1.00 64.40 N ATOM 539 CA ASP A 39 -6.495 -11.796 -7.697 1.00 2.11 C ATOM 540 C ASP A 39 -5.956 -10.544 -8.395 1.00 42.35 C ATOM 541 O ASP A 39 -4.891 -10.595 -9.016 1.00 61.44 O ATOM 542 CB ASP A 39 -7.465 -12.542 -8.617 1.00 23.35 C ATOM 543 CG ASP A 39 -6.767 -12.967 -9.907 1.00 2.53 C ATOM 544 OD1 ASP A 39 -7.070 -12.390 -10.980 1.00 12.45 O ATOM 545 OD2 ASP A 39 -5.931 -13.895 -9.852 1.00 34.04 O ATOM 0 H ASP A 39 -8.164 -11.565 -6.450 1.00 64.40 H new ATOM 0 HA ASP A 39 -5.661 -12.460 -7.468 1.00 2.11 H new ATOM 0 HB2 ASP A 39 -7.858 -13.420 -8.104 1.00 23.35 H new ATOM 0 HB3 ASP A 39 -8.316 -11.902 -8.852 1.00 23.35 H new ATOM 550 N ASP A 40 -6.675 -9.421 -8.293 1.00 34.22 N ATOM 551 CA ASP A 40 -6.300 -8.133 -8.884 1.00 44.23 C ATOM 552 C ASP A 40 -5.146 -7.533 -8.078 1.00 54.35 C ATOM 553 O ASP A 40 -4.150 -7.067 -8.637 1.00 24.34 O ATOM 554 CB ASP A 40 -7.473 -7.129 -8.854 1.00 71.22 C ATOM 555 CG ASP A 40 -8.580 -7.383 -9.878 1.00 3.12 C ATOM 556 OD1 ASP A 40 -9.755 -7.092 -9.571 1.00 54.03 O ATOM 557 OD2 ASP A 40 -8.263 -7.846 -11.002 1.00 13.41 O ATOM 0 H ASP A 40 -7.558 -9.382 -7.783 1.00 34.22 H new ATOM 0 HA ASP A 40 -6.015 -8.312 -9.921 1.00 44.23 H new ATOM 0 HB2 ASP A 40 -7.914 -7.141 -7.857 1.00 71.22 H new ATOM 0 HB3 ASP A 40 -7.076 -6.127 -9.015 1.00 71.22 H new ATOM 562 N LEU A 41 -5.251 -7.603 -6.746 1.00 23.03 N ATOM 563 CA LEU A 41 -4.270 -7.065 -5.804 1.00 24.40 C ATOM 564 C LEU A 41 -2.850 -7.584 -6.046 1.00 23.23 C ATOM 565 O LEU A 41 -1.906 -6.828 -5.794 1.00 43.31 O ATOM 566 CB LEU A 41 -4.709 -7.371 -4.358 1.00 21.31 C ATOM 567 CG LEU A 41 -5.431 -6.254 -3.581 1.00 34.34 C ATOM 568 CD1 LEU A 41 -4.494 -5.078 -3.308 1.00 52.01 C ATOM 569 CD2 LEU A 41 -6.704 -5.745 -4.263 1.00 5.34 C ATOM 0 H LEU A 41 -6.044 -8.048 -6.284 1.00 23.03 H new ATOM 0 HA LEU A 41 -4.237 -5.988 -5.966 1.00 24.40 H new ATOM 0 HB2 LEU A 41 -5.365 -8.241 -4.383 1.00 21.31 H new ATOM 0 HB3 LEU A 41 -3.823 -7.656 -3.791 1.00 21.31 H new ATOM 0 HG LEU A 41 -5.736 -6.713 -2.641 1.00 34.34 H new ATOM 0 HD11 LEU A 41 -5.031 -4.305 -2.758 1.00 52.01 H new ATOM 0 HD12 LEU A 41 -3.644 -5.420 -2.717 1.00 52.01 H new ATOM 0 HD13 LEU A 41 -4.138 -4.670 -4.254 1.00 52.01 H new ATOM 0 HD21 LEU A 41 -7.154 -4.961 -3.655 1.00 5.34 H new ATOM 0 HD22 LEU A 41 -6.455 -5.344 -5.246 1.00 5.34 H new ATOM 0 HD23 LEU A 41 -7.411 -6.567 -4.375 1.00 5.34 H new ATOM 581 N SER A 42 -2.688 -8.816 -6.539 1.00 23.12 N ATOM 582 CA SER A 42 -1.386 -9.415 -6.819 1.00 34.15 C ATOM 583 C SER A 42 -0.618 -8.585 -7.850 1.00 72.34 C ATOM 584 O SER A 42 0.557 -8.263 -7.659 1.00 12.33 O ATOM 585 CB SER A 42 -1.571 -10.830 -7.386 1.00 24.24 C ATOM 586 OG SER A 42 -2.688 -11.517 -6.856 1.00 52.43 O ATOM 0 H SER A 42 -3.472 -9.432 -6.757 1.00 23.12 H new ATOM 0 HA SER A 42 -0.826 -9.449 -5.885 1.00 34.15 H new ATOM 0 HB2 SER A 42 -1.676 -10.766 -8.469 1.00 24.24 H new ATOM 0 HB3 SER A 42 -0.671 -11.411 -7.187 1.00 24.24 H new ATOM 0 HG SER A 42 -3.472 -11.352 -7.421 1.00 52.43 H new ATOM 592 N THR A 43 -1.300 -8.240 -8.944 1.00 13.32 N ATOM 593 CA THR A 43 -0.762 -7.471 -10.049 1.00 1.32 C ATOM 594 C THR A 43 -0.467 -6.048 -9.602 1.00 44.23 C ATOM 595 O THR A 43 0.584 -5.509 -9.944 1.00 0.43 O ATOM 596 CB THR A 43 -1.761 -7.574 -11.210 1.00 44.02 C ATOM 597 OG1 THR A 43 -1.741 -8.919 -11.651 1.00 50.01 O ATOM 598 CG2 THR A 43 -1.466 -6.693 -12.420 1.00 3.24 C ATOM 0 H THR A 43 -2.276 -8.502 -9.082 1.00 13.32 H new ATOM 0 HA THR A 43 0.195 -7.862 -10.396 1.00 1.32 H new ATOM 0 HB THR A 43 -2.720 -7.233 -10.821 1.00 44.02 H new ATOM 0 HG1 THR A 43 -2.370 -9.029 -12.395 1.00 50.01 H new ATOM 0 HG21 THR A 43 -2.234 -6.846 -13.178 1.00 3.24 H new ATOM 0 HG22 THR A 43 -1.460 -5.646 -12.115 1.00 3.24 H new ATOM 0 HG23 THR A 43 -0.492 -6.956 -12.833 1.00 3.24 H new ATOM 606 N ILE A 44 -1.353 -5.450 -8.803 1.00 24.34 N ATOM 607 CA ILE A 44 -1.144 -4.097 -8.306 1.00 3.01 C ATOM 608 C ILE A 44 0.174 -4.096 -7.501 1.00 74.51 C ATOM 609 O ILE A 44 0.992 -3.184 -7.632 1.00 65.23 O ATOM 610 CB ILE A 44 -2.383 -3.626 -7.513 1.00 33.21 C ATOM 611 CG1 ILE A 44 -3.674 -3.679 -8.371 1.00 44.34 C ATOM 612 CG2 ILE A 44 -2.151 -2.181 -7.043 1.00 41.32 C ATOM 613 CD1 ILE A 44 -4.986 -3.472 -7.600 1.00 32.04 C ATOM 0 H ILE A 44 -2.221 -5.885 -8.489 1.00 24.34 H new ATOM 0 HA ILE A 44 -1.037 -3.372 -9.113 1.00 3.01 H new ATOM 0 HB ILE A 44 -2.518 -4.296 -6.664 1.00 33.21 H new ATOM 0 HG12 ILE A 44 -3.605 -2.918 -9.148 1.00 44.34 H new ATOM 0 HG13 ILE A 44 -3.716 -4.645 -8.874 1.00 44.34 H new ATOM 0 HG21 ILE A 44 -3.020 -1.837 -6.482 1.00 41.32 H new ATOM 0 HG22 ILE A 44 -1.268 -2.143 -6.405 1.00 41.32 H new ATOM 0 HG23 ILE A 44 -2.000 -1.536 -7.909 1.00 41.32 H new ATOM 0 HD11 ILE A 44 -5.827 -3.528 -8.291 1.00 32.04 H new ATOM 0 HD12 ILE A 44 -5.088 -4.248 -6.841 1.00 32.04 H new ATOM 0 HD13 ILE A 44 -4.975 -2.494 -7.120 1.00 32.04 H new ATOM 625 N ALA A 45 0.404 -5.135 -6.687 1.00 55.24 N ATOM 626 CA ALA A 45 1.618 -5.269 -5.897 1.00 14.10 C ATOM 627 C ALA A 45 2.834 -5.442 -6.813 1.00 41.50 C ATOM 628 O ALA A 45 3.882 -4.849 -6.550 1.00 32.00 O ATOM 629 CB ALA A 45 1.480 -6.445 -4.929 1.00 1.44 C ATOM 0 H ALA A 45 -0.254 -5.905 -6.563 1.00 55.24 H new ATOM 0 HA ALA A 45 1.769 -4.361 -5.313 1.00 14.10 H new ATOM 0 HB1 ALA A 45 2.392 -6.540 -4.340 1.00 1.44 H new ATOM 0 HB2 ALA A 45 0.635 -6.271 -4.263 1.00 1.44 H new ATOM 0 HB3 ALA A 45 1.315 -7.363 -5.493 1.00 1.44 H new ATOM 635 N GLN A 46 2.725 -6.223 -7.890 1.00 40.21 N ATOM 636 CA GLN A 46 3.837 -6.415 -8.805 1.00 62.11 C ATOM 637 C GLN A 46 4.226 -5.066 -9.418 1.00 53.42 C ATOM 638 O GLN A 46 5.405 -4.707 -9.416 1.00 24.44 O ATOM 639 CB GLN A 46 3.463 -7.435 -9.888 1.00 65.31 C ATOM 640 CG GLN A 46 3.816 -8.870 -9.486 1.00 44.31 C ATOM 641 CD GLN A 46 5.315 -9.180 -9.564 1.00 14.23 C ATOM 642 OE1 GLN A 46 6.172 -8.299 -9.637 1.00 50.40 O ATOM 643 NE2 GLN A 46 5.679 -10.451 -9.550 1.00 10.44 N ATOM 0 H GLN A 46 1.877 -6.729 -8.144 1.00 40.21 H new ATOM 0 HA GLN A 46 4.696 -6.811 -8.263 1.00 62.11 H new ATOM 0 HB2 GLN A 46 2.394 -7.370 -10.091 1.00 65.31 H new ATOM 0 HB3 GLN A 46 3.979 -7.183 -10.814 1.00 65.31 H new ATOM 0 HG2 GLN A 46 3.469 -9.049 -8.468 1.00 44.31 H new ATOM 0 HG3 GLN A 46 3.277 -9.562 -10.132 1.00 44.31 H new ATOM 0 HE21 GLN A 46 4.972 -11.183 -9.490 1.00 10.44 H new ATOM 0 HE22 GLN A 46 6.667 -10.699 -9.600 1.00 10.44 H new ATOM 652 N SER A 47 3.247 -4.279 -9.883 1.00 11.44 N ATOM 653 CA SER A 47 3.475 -2.961 -10.466 1.00 65.02 C ATOM 654 C SER A 47 4.258 -2.066 -9.500 1.00 51.23 C ATOM 655 O SER A 47 5.066 -1.236 -9.921 1.00 44.35 O ATOM 656 CB SER A 47 2.132 -2.304 -10.772 1.00 12.13 C ATOM 657 OG SER A 47 1.367 -3.057 -11.685 1.00 24.41 O ATOM 0 H SER A 47 2.263 -4.548 -9.862 1.00 11.44 H new ATOM 0 HA SER A 47 4.054 -3.084 -11.381 1.00 65.02 H new ATOM 0 HB2 SER A 47 1.571 -2.180 -9.846 1.00 12.13 H new ATOM 0 HB3 SER A 47 2.301 -1.307 -11.178 1.00 12.13 H new ATOM 0 HG SER A 47 1.000 -3.845 -11.233 1.00 24.41 H new ATOM 663 N LEU A 48 4.013 -2.200 -8.196 1.00 53.12 N ATOM 664 CA LEU A 48 4.692 -1.430 -7.168 1.00 33.54 C ATOM 665 C LEU A 48 6.180 -1.766 -7.186 1.00 10.25 C ATOM 666 O LEU A 48 7.014 -0.868 -7.329 1.00 12.13 O ATOM 667 CB LEU A 48 4.073 -1.727 -5.793 1.00 14.21 C ATOM 668 CG LEU A 48 3.224 -0.572 -5.273 1.00 30.21 C ATOM 669 CD1 LEU A 48 1.982 -0.289 -6.130 1.00 21.43 C ATOM 670 CD2 LEU A 48 2.790 -0.890 -3.845 1.00 45.21 C ATOM 0 H LEU A 48 3.327 -2.857 -7.825 1.00 53.12 H new ATOM 0 HA LEU A 48 4.573 -0.365 -7.366 1.00 33.54 H new ATOM 0 HB2 LEU A 48 3.458 -2.624 -5.861 1.00 14.21 H new ATOM 0 HB3 LEU A 48 4.868 -1.940 -5.078 1.00 14.21 H new ATOM 0 HG LEU A 48 3.841 0.326 -5.315 1.00 30.21 H new ATOM 0 HD11 LEU A 48 1.426 0.544 -5.701 1.00 21.43 H new ATOM 0 HD12 LEU A 48 2.290 -0.036 -7.144 1.00 21.43 H new ATOM 0 HD13 LEU A 48 1.347 -1.175 -6.154 1.00 21.43 H new ATOM 0 HD21 LEU A 48 2.181 -0.072 -3.459 1.00 45.21 H new ATOM 0 HD22 LEU A 48 2.207 -1.811 -3.838 1.00 45.21 H new ATOM 0 HD23 LEU A 48 3.671 -1.014 -3.216 1.00 45.21 H new ATOM 682 N VAL A 49 6.519 -3.050 -7.051 1.00 70.00 N ATOM 683 CA VAL A 49 7.906 -3.502 -7.045 1.00 63.01 C ATOM 684 C VAL A 49 8.593 -3.115 -8.365 1.00 24.32 C ATOM 685 O VAL A 49 9.738 -2.664 -8.335 1.00 34.05 O ATOM 686 CB VAL A 49 7.979 -5.010 -6.730 1.00 75.44 C ATOM 687 CG1 VAL A 49 9.435 -5.471 -6.587 1.00 40.44 C ATOM 688 CG2 VAL A 49 7.269 -5.362 -5.414 1.00 72.14 C ATOM 0 H VAL A 49 5.839 -3.802 -6.943 1.00 70.00 H new ATOM 0 HA VAL A 49 8.457 -3.000 -6.250 1.00 63.01 H new ATOM 0 HB VAL A 49 7.487 -5.511 -7.564 1.00 75.44 H new ATOM 0 HG11 VAL A 49 9.459 -6.538 -6.365 1.00 40.44 H new ATOM 0 HG12 VAL A 49 9.970 -5.282 -7.518 1.00 40.44 H new ATOM 0 HG13 VAL A 49 9.913 -4.921 -5.776 1.00 40.44 H new ATOM 0 HG21 VAL A 49 7.347 -6.434 -5.234 1.00 72.14 H new ATOM 0 HG22 VAL A 49 7.738 -4.821 -4.592 1.00 72.14 H new ATOM 0 HG23 VAL A 49 6.218 -5.081 -5.481 1.00 72.14 H new ATOM 698 N GLN A 50 7.904 -3.224 -9.506 1.00 45.42 N ATOM 699 CA GLN A 50 8.445 -2.872 -10.820 1.00 11.05 C ATOM 700 C GLN A 50 8.872 -1.399 -10.844 1.00 75.11 C ATOM 701 O GLN A 50 9.936 -1.063 -11.366 1.00 50.53 O ATOM 702 CB GLN A 50 7.393 -3.153 -11.903 1.00 13.43 C ATOM 703 CG GLN A 50 7.174 -4.658 -12.123 1.00 32.23 C ATOM 704 CD GLN A 50 5.902 -4.986 -12.901 1.00 75.14 C ATOM 705 OE1 GLN A 50 5.266 -6.008 -12.657 1.00 35.10 O ATOM 706 NE2 GLN A 50 5.490 -4.176 -13.865 1.00 32.24 N ATOM 0 H GLN A 50 6.943 -3.564 -9.542 1.00 45.42 H new ATOM 0 HA GLN A 50 9.326 -3.482 -11.021 1.00 11.05 H new ATOM 0 HB2 GLN A 50 6.449 -2.688 -11.619 1.00 13.43 H new ATOM 0 HB3 GLN A 50 7.707 -2.692 -12.840 1.00 13.43 H new ATOM 0 HG2 GLN A 50 8.032 -5.067 -12.657 1.00 32.23 H new ATOM 0 HG3 GLN A 50 7.135 -5.156 -11.154 1.00 32.23 H new ATOM 0 HE21 GLN A 50 6.012 -3.325 -14.074 1.00 32.24 H new ATOM 0 HE22 GLN A 50 4.651 -4.403 -14.398 1.00 32.24 H new ATOM 715 N SER A 51 8.055 -0.501 -10.292 1.00 71.12 N ATOM 716 CA SER A 51 8.379 0.918 -10.248 1.00 74.45 C ATOM 717 C SER A 51 9.593 1.156 -9.337 1.00 22.03 C ATOM 718 O SER A 51 10.448 1.989 -9.656 1.00 0.34 O ATOM 719 CB SER A 51 7.133 1.696 -9.821 1.00 12.44 C ATOM 720 OG SER A 51 6.146 1.547 -10.828 1.00 61.15 O ATOM 0 H SER A 51 7.158 -0.738 -9.867 1.00 71.12 H new ATOM 0 HA SER A 51 8.668 1.282 -11.234 1.00 74.45 H new ATOM 0 HB2 SER A 51 6.761 1.322 -8.867 1.00 12.44 H new ATOM 0 HB3 SER A 51 7.374 2.750 -9.679 1.00 12.44 H new ATOM 0 HG SER A 51 5.691 0.686 -10.715 1.00 61.15 H new ATOM 726 N ILE A 52 9.715 0.404 -8.237 1.00 62.23 N ATOM 727 CA ILE A 52 10.828 0.521 -7.298 1.00 2.31 C ATOM 728 C ILE A 52 12.118 0.037 -7.969 1.00 21.51 C ATOM 729 O ILE A 52 13.139 0.704 -7.810 1.00 22.21 O ATOM 730 CB ILE A 52 10.501 -0.208 -5.974 1.00 61.15 C ATOM 731 CG1 ILE A 52 9.325 0.521 -5.286 1.00 50.34 C ATOM 732 CG2 ILE A 52 11.711 -0.277 -5.018 1.00 34.53 C ATOM 733 CD1 ILE A 52 8.697 -0.315 -4.177 1.00 5.30 C ATOM 0 H ILE A 52 9.035 -0.309 -7.974 1.00 62.23 H new ATOM 0 HA ILE A 52 10.986 1.565 -7.028 1.00 2.31 H new ATOM 0 HB ILE A 52 10.233 -1.237 -6.213 1.00 61.15 H new ATOM 0 HG12 ILE A 52 9.678 1.465 -4.871 1.00 50.34 H new ATOM 0 HG13 ILE A 52 8.566 0.764 -6.029 1.00 50.34 H new ATOM 0 HG21 ILE A 52 11.424 -0.799 -4.105 1.00 34.53 H new ATOM 0 HG22 ILE A 52 12.527 -0.814 -5.502 1.00 34.53 H new ATOM 0 HG23 ILE A 52 12.038 0.733 -4.771 1.00 34.53 H new ATOM 0 HD11 ILE A 52 7.875 0.240 -3.724 1.00 5.30 H new ATOM 0 HD12 ILE A 52 8.318 -1.248 -4.595 1.00 5.30 H new ATOM 0 HD13 ILE A 52 9.448 -0.536 -3.418 1.00 5.30 H new ATOM 745 N GLN A 53 12.094 -1.067 -8.729 1.00 63.33 N ATOM 746 CA GLN A 53 13.271 -1.602 -9.426 1.00 30.21 C ATOM 747 C GLN A 53 13.872 -0.534 -10.350 1.00 73.04 C ATOM 748 O GLN A 53 15.093 -0.456 -10.512 1.00 35.22 O ATOM 749 CB GLN A 53 12.884 -2.847 -10.254 1.00 45.14 C ATOM 750 CG GLN A 53 12.624 -4.121 -9.431 1.00 2.41 C ATOM 751 CD GLN A 53 13.897 -4.816 -8.940 1.00 43.01 C ATOM 752 OE1 GLN A 53 14.983 -4.242 -8.904 1.00 72.53 O ATOM 753 NE2 GLN A 53 13.794 -6.067 -8.526 1.00 62.51 N ATOM 0 H GLN A 53 11.249 -1.618 -8.878 1.00 63.33 H new ATOM 0 HA GLN A 53 14.013 -1.887 -8.680 1.00 30.21 H new ATOM 0 HB2 GLN A 53 11.989 -2.617 -10.831 1.00 45.14 H new ATOM 0 HB3 GLN A 53 13.681 -3.051 -10.969 1.00 45.14 H new ATOM 0 HG2 GLN A 53 12.007 -3.865 -8.570 1.00 2.41 H new ATOM 0 HG3 GLN A 53 12.050 -4.822 -10.037 1.00 2.41 H new ATOM 0 HE21 GLN A 53 12.892 -6.542 -8.557 1.00 62.51 H new ATOM 0 HE22 GLN A 53 14.617 -6.558 -8.176 1.00 62.51 H new ATOM 762 N SER A 54 13.017 0.300 -10.947 1.00 2.35 N ATOM 763 CA SER A 54 13.427 1.369 -11.835 1.00 73.32 C ATOM 764 C SER A 54 14.202 2.438 -11.062 1.00 62.04 C ATOM 765 O SER A 54 15.325 2.783 -11.437 1.00 10.25 O ATOM 766 CB SER A 54 12.180 1.926 -12.526 1.00 34.43 C ATOM 767 OG SER A 54 12.516 2.902 -13.480 1.00 73.14 O ATOM 0 H SER A 54 12.007 0.243 -10.819 1.00 2.35 H new ATOM 0 HA SER A 54 14.106 0.996 -12.601 1.00 73.32 H new ATOM 0 HB2 SER A 54 11.637 1.114 -13.009 1.00 34.43 H new ATOM 0 HB3 SER A 54 11.512 2.358 -11.781 1.00 34.43 H new ATOM 0 HG SER A 54 11.700 3.238 -13.906 1.00 73.14 H new ATOM 773 N LEU A 55 13.641 2.977 -9.973 1.00 51.10 N ATOM 774 CA LEU A 55 14.343 4.013 -9.213 1.00 42.23 C ATOM 775 C LEU A 55 15.563 3.450 -8.500 1.00 24.30 C ATOM 776 O LEU A 55 16.551 4.174 -8.346 1.00 74.54 O ATOM 777 CB LEU A 55 13.422 4.757 -8.229 1.00 53.33 C ATOM 778 CG LEU A 55 12.636 5.922 -8.862 1.00 54.04 C ATOM 779 CD1 LEU A 55 13.580 7.061 -9.285 1.00 13.14 C ATOM 780 CD2 LEU A 55 11.773 5.498 -10.053 1.00 72.21 C ATOM 0 H LEU A 55 12.725 2.720 -9.606 1.00 51.10 H new ATOM 0 HA LEU A 55 14.684 4.748 -9.942 1.00 42.23 H new ATOM 0 HB2 LEU A 55 12.715 4.046 -7.801 1.00 53.33 H new ATOM 0 HB3 LEU A 55 14.023 5.143 -7.406 1.00 53.33 H new ATOM 0 HG LEU A 55 11.959 6.276 -8.085 1.00 54.04 H new ATOM 0 HD11 LEU A 55 12.999 7.870 -9.728 1.00 13.14 H new ATOM 0 HD12 LEU A 55 14.114 7.435 -8.411 1.00 13.14 H new ATOM 0 HD13 LEU A 55 14.297 6.687 -10.016 1.00 13.14 H new ATOM 0 HD21 LEU A 55 11.248 6.367 -10.449 1.00 72.21 H new ATOM 0 HD22 LEU A 55 12.409 5.073 -10.830 1.00 72.21 H new ATOM 0 HD23 LEU A 55 11.047 4.752 -9.729 1.00 72.21 H new ATOM 792 N ALA A 56 15.529 2.184 -8.074 1.00 43.24 N ATOM 793 CA ALA A 56 16.649 1.537 -7.408 1.00 2.11 C ATOM 794 C ALA A 56 17.845 1.573 -8.360 1.00 53.44 C ATOM 795 O ALA A 56 18.929 1.998 -7.969 1.00 61.41 O ATOM 796 CB ALA A 56 16.276 0.108 -7.002 1.00 51.21 C ATOM 0 H ALA A 56 14.715 1.580 -8.185 1.00 43.24 H new ATOM 0 HA ALA A 56 16.910 2.061 -6.489 1.00 2.11 H new ATOM 0 HB1 ALA A 56 17.125 -0.362 -6.505 1.00 51.21 H new ATOM 0 HB2 ALA A 56 15.425 0.134 -6.321 1.00 51.21 H new ATOM 0 HB3 ALA A 56 16.012 -0.466 -7.891 1.00 51.21 H new ATOM 802 N ALA A 57 17.617 1.235 -9.635 1.00 53.10 N ATOM 803 CA ALA A 57 18.626 1.226 -10.685 1.00 31.14 C ATOM 804 C ALA A 57 19.240 2.604 -10.968 1.00 72.32 C ATOM 805 O ALA A 57 20.247 2.671 -11.677 1.00 53.30 O ATOM 806 CB ALA A 57 18.007 0.655 -11.959 1.00 61.04 C ATOM 0 H ALA A 57 16.695 0.953 -9.968 1.00 53.10 H new ATOM 0 HA ALA A 57 19.448 0.602 -10.335 1.00 31.14 H new ATOM 0 HB1 ALA A 57 18.754 0.643 -12.753 1.00 61.04 H new ATOM 0 HB2 ALA A 57 17.661 -0.361 -11.771 1.00 61.04 H new ATOM 0 HB3 ALA A 57 17.164 1.275 -12.263 1.00 61.04 H new ATOM 812 N GLN A 58 18.639 3.699 -10.495 1.00 22.41 N ATOM 813 CA GLN A 58 19.156 5.054 -10.676 1.00 43.33 C ATOM 814 C GLN A 58 19.900 5.491 -9.412 1.00 53.14 C ATOM 815 O GLN A 58 20.718 6.411 -9.448 1.00 11.43 O ATOM 816 CB GLN A 58 18.009 6.044 -10.933 1.00 34.55 C ATOM 817 CG GLN A 58 17.373 5.870 -12.315 1.00 5.44 C ATOM 818 CD GLN A 58 16.137 6.751 -12.483 1.00 25.24 C ATOM 819 OE1 GLN A 58 16.091 7.910 -12.059 1.00 41.42 O ATOM 820 NE2 GLN A 58 15.096 6.210 -13.085 1.00 4.43 N ATOM 0 H GLN A 58 17.766 3.666 -9.968 1.00 22.41 H new ATOM 0 HA GLN A 58 19.829 5.051 -11.534 1.00 43.33 H new ATOM 0 HB2 GLN A 58 17.244 5.914 -10.167 1.00 34.55 H new ATOM 0 HB3 GLN A 58 18.386 7.062 -10.837 1.00 34.55 H new ATOM 0 HG2 GLN A 58 18.103 6.117 -13.085 1.00 5.44 H new ATOM 0 HG3 GLN A 58 17.098 4.825 -12.460 1.00 5.44 H new ATOM 0 HE21 GLN A 58 15.148 5.252 -13.430 1.00 4.43 H new ATOM 0 HE22 GLN A 58 14.239 6.750 -13.205 1.00 4.43 H new ATOM 829 N GLY A 59 19.552 4.922 -8.256 1.00 63.14 N ATOM 830 CA GLY A 59 20.172 5.250 -6.986 1.00 54.34 C ATOM 831 C GLY A 59 19.767 6.643 -6.489 1.00 33.02 C ATOM 832 O GLY A 59 20.295 7.098 -5.472 1.00 21.42 O ATOM 0 H GLY A 59 18.822 4.213 -8.183 1.00 63.14 H new ATOM 0 HA2 GLY A 59 19.891 4.504 -6.242 1.00 54.34 H new ATOM 0 HA3 GLY A 59 21.256 5.204 -7.090 1.00 54.34 H new ATOM 836 N ARG A 60 18.872 7.356 -7.186 1.00 44.42 N ATOM 837 CA ARG A 60 18.422 8.695 -6.830 1.00 63.43 C ATOM 838 C ARG A 60 16.905 8.773 -6.877 1.00 52.50 C ATOM 839 O ARG A 60 16.341 8.808 -7.973 1.00 35.25 O ATOM 840 CB ARG A 60 19.068 9.719 -7.777 1.00 14.41 C ATOM 841 CG ARG A 60 18.992 11.164 -7.242 1.00 24.11 C ATOM 842 CD ARG A 60 19.820 11.419 -5.973 1.00 41.53 C ATOM 843 NE ARG A 60 21.239 11.108 -6.214 1.00 22.43 N ATOM 844 CZ ARG A 60 22.015 10.242 -5.554 1.00 51.15 C ATOM 845 NH1 ARG A 60 21.603 9.691 -4.422 1.00 13.55 N ATOM 846 NH2 ARG A 60 23.203 9.924 -6.050 1.00 42.21 N ATOM 0 H ARG A 60 18.433 7.001 -8.036 1.00 44.42 H new ATOM 0 HA ARG A 60 18.730 8.926 -5.810 1.00 63.43 H new ATOM 0 HB2 ARG A 60 20.112 9.451 -7.936 1.00 14.41 H new ATOM 0 HB3 ARG A 60 18.575 9.670 -8.748 1.00 14.41 H new ATOM 0 HG2 ARG A 60 19.329 11.845 -8.023 1.00 24.11 H new ATOM 0 HG3 ARG A 60 17.950 11.407 -7.035 1.00 24.11 H new ATOM 0 HD2 ARG A 60 19.716 12.460 -5.667 1.00 41.53 H new ATOM 0 HD3 ARG A 60 19.441 10.807 -5.155 1.00 41.53 H new ATOM 0 HE ARG A 60 21.685 11.616 -6.978 1.00 22.43 H new ATOM 0 HH11 ARG A 60 20.685 9.926 -4.045 1.00 13.55 H new ATOM 0 HH12 ARG A 60 22.204 9.032 -3.927 1.00 13.55 H new ATOM 0 HH21 ARG A 60 23.517 10.339 -6.927 1.00 42.21 H new ATOM 0 HH22 ARG A 60 23.803 9.264 -5.554 1.00 42.21 H new ATOM 860 N THR A 61 16.248 8.848 -5.724 1.00 64.31 N ATOM 861 CA THR A 61 14.801 8.953 -5.636 1.00 71.52 C ATOM 862 C THR A 61 14.464 10.239 -4.893 1.00 24.23 C ATOM 863 O THR A 61 15.029 10.509 -3.825 1.00 71.44 O ATOM 864 CB THR A 61 14.167 7.720 -4.971 1.00 34.13 C ATOM 865 OG1 THR A 61 14.848 6.532 -5.314 1.00 22.32 O ATOM 866 CG2 THR A 61 12.713 7.607 -5.418 1.00 51.34 C ATOM 0 H THR A 61 16.713 8.837 -4.816 1.00 64.31 H new ATOM 0 HA THR A 61 14.378 8.988 -6.640 1.00 71.52 H new ATOM 0 HB THR A 61 14.232 7.847 -3.890 1.00 34.13 H new ATOM 0 HG1 THR A 61 14.419 5.770 -4.872 1.00 22.32 H new ATOM 0 HG21 THR A 61 12.255 6.735 -4.951 1.00 51.34 H new ATOM 0 HG22 THR A 61 12.170 8.504 -5.121 1.00 51.34 H new ATOM 0 HG23 THR A 61 12.673 7.501 -6.502 1.00 51.34 H new ATOM 874 N SER A 62 13.615 11.068 -5.502 1.00 64.05 N ATOM 875 CA SER A 62 13.176 12.318 -4.912 1.00 24.11 C ATOM 876 C SER A 62 12.141 11.968 -3.830 1.00 44.42 C ATOM 877 O SER A 62 11.492 10.921 -3.931 1.00 21.31 O ATOM 878 CB SER A 62 12.602 13.227 -6.020 1.00 20.41 C ATOM 879 OG SER A 62 11.224 13.026 -6.262 1.00 21.13 O ATOM 0 H SER A 62 13.215 10.884 -6.422 1.00 64.05 H new ATOM 0 HA SER A 62 13.994 12.870 -4.448 1.00 24.11 H new ATOM 0 HB2 SER A 62 12.765 14.269 -5.744 1.00 20.41 H new ATOM 0 HB3 SER A 62 13.154 13.052 -6.944 1.00 20.41 H new ATOM 0 HG SER A 62 10.925 13.632 -6.971 1.00 21.13 H new ATOM 885 N PRO A 63 11.917 12.822 -2.821 1.00 41.24 N ATOM 886 CA PRO A 63 10.929 12.543 -1.789 1.00 53.33 C ATOM 887 C PRO A 63 9.532 12.574 -2.415 1.00 72.11 C ATOM 888 O PRO A 63 8.633 11.853 -1.978 1.00 64.54 O ATOM 889 CB PRO A 63 11.106 13.648 -0.741 1.00 14.02 C ATOM 890 CG PRO A 63 11.754 14.796 -1.513 1.00 22.11 C ATOM 891 CD PRO A 63 12.587 14.080 -2.572 1.00 5.25 C ATOM 0 HA PRO A 63 11.053 11.561 -1.332 1.00 53.33 H new ATOM 0 HB2 PRO A 63 10.150 13.947 -0.312 1.00 14.02 H new ATOM 0 HB3 PRO A 63 11.737 13.317 0.084 1.00 14.02 H new ATOM 0 HG2 PRO A 63 11.007 15.450 -1.963 1.00 22.11 H new ATOM 0 HG3 PRO A 63 12.373 15.417 -0.866 1.00 22.11 H new ATOM 0 HD2 PRO A 63 12.654 14.674 -3.484 1.00 5.25 H new ATOM 0 HD3 PRO A 63 13.606 13.917 -2.222 1.00 5.25 H new ATOM 899 N ASN A 64 9.343 13.411 -3.439 1.00 34.53 N ATOM 900 CA ASN A 64 8.080 13.553 -4.139 1.00 41.14 C ATOM 901 C ASN A 64 7.739 12.260 -4.857 1.00 65.11 C ATOM 902 O ASN A 64 6.720 11.666 -4.541 1.00 42.33 O ATOM 903 CB ASN A 64 8.144 14.719 -5.131 1.00 21.43 C ATOM 904 CG ASN A 64 7.894 16.019 -4.399 1.00 44.33 C ATOM 905 OD1 ASN A 64 8.851 16.667 -3.971 1.00 52.33 O ATOM 906 ND2 ASN A 64 6.639 16.377 -4.194 1.00 65.22 N ATOM 0 H ASN A 64 10.080 14.015 -3.804 1.00 34.53 H new ATOM 0 HA ASN A 64 7.297 13.768 -3.412 1.00 41.14 H new ATOM 0 HB2 ASN A 64 9.120 14.744 -5.616 1.00 21.43 H new ATOM 0 HB3 ASN A 64 7.401 14.583 -5.917 1.00 21.43 H new ATOM 0 HD21 ASN A 64 6.430 17.222 -3.662 1.00 65.22 H new ATOM 0 HD22 ASN A 64 5.879 15.809 -4.568 1.00 65.22 H new ATOM 913 N LYS A 65 8.599 11.774 -5.762 1.00 72.45 N ATOM 914 CA LYS A 65 8.310 10.540 -6.495 1.00 43.52 C ATOM 915 C LYS A 65 8.199 9.344 -5.545 1.00 1.11 C ATOM 916 O LYS A 65 7.286 8.538 -5.701 1.00 24.42 O ATOM 917 CB LYS A 65 9.280 10.373 -7.685 1.00 62.22 C ATOM 918 CG LYS A 65 10.704 9.889 -7.352 1.00 72.32 C ATOM 919 CD LYS A 65 11.788 10.390 -8.325 1.00 4.20 C ATOM 920 CE LYS A 65 11.423 10.187 -9.791 1.00 61.03 C ATOM 921 NZ LYS A 65 12.458 10.705 -10.709 1.00 31.44 N ATOM 0 H LYS A 65 9.489 12.212 -6.000 1.00 72.45 H new ATOM 0 HA LYS A 65 7.323 10.601 -6.954 1.00 43.52 H new ATOM 0 HB2 LYS A 65 8.837 9.669 -8.389 1.00 62.22 H new ATOM 0 HB3 LYS A 65 9.357 11.331 -8.198 1.00 62.22 H new ATOM 0 HG2 LYS A 65 10.959 10.215 -6.344 1.00 72.32 H new ATOM 0 HG3 LYS A 65 10.713 8.799 -7.347 1.00 72.32 H new ATOM 0 HD2 LYS A 65 11.965 11.450 -8.145 1.00 4.20 H new ATOM 0 HD3 LYS A 65 12.723 9.870 -8.115 1.00 4.20 H new ATOM 0 HE2 LYS A 65 11.273 9.124 -9.981 1.00 61.03 H new ATOM 0 HE3 LYS A 65 10.476 10.685 -9.999 1.00 61.03 H new ATOM 0 HZ1 LYS A 65 12.162 10.543 -11.693 1.00 31.44 H new ATOM 0 HZ2 LYS A 65 12.585 11.725 -10.549 1.00 31.44 H new ATOM 0 HZ3 LYS A 65 13.357 10.213 -10.532 1.00 31.44 H new ATOM 935 N LEU A 66 9.067 9.258 -4.524 1.00 63.54 N ATOM 936 CA LEU A 66 9.040 8.161 -3.558 1.00 0.32 C ATOM 937 C LEU A 66 7.682 8.107 -2.849 1.00 30.40 C ATOM 938 O LEU A 66 7.077 7.038 -2.765 1.00 2.21 O ATOM 939 CB LEU A 66 10.194 8.312 -2.547 1.00 3.32 C ATOM 940 CG LEU A 66 10.373 7.103 -1.606 1.00 63.02 C ATOM 941 CD1 LEU A 66 10.787 5.832 -2.357 1.00 44.41 C ATOM 942 CD2 LEU A 66 11.442 7.416 -0.555 1.00 20.30 C ATOM 0 H LEU A 66 9.801 9.945 -4.350 1.00 63.54 H new ATOM 0 HA LEU A 66 9.178 7.219 -4.088 1.00 0.32 H new ATOM 0 HB2 LEU A 66 11.123 8.473 -3.094 1.00 3.32 H new ATOM 0 HB3 LEU A 66 10.020 9.204 -1.945 1.00 3.32 H new ATOM 0 HG LEU A 66 9.406 6.922 -1.137 1.00 63.02 H new ATOM 0 HD11 LEU A 66 10.900 5.011 -1.649 1.00 44.41 H new ATOM 0 HD12 LEU A 66 10.021 5.577 -3.090 1.00 44.41 H new ATOM 0 HD13 LEU A 66 11.735 6.003 -2.867 1.00 44.41 H new ATOM 0 HD21 LEU A 66 11.564 6.558 0.107 1.00 20.30 H new ATOM 0 HD22 LEU A 66 12.389 7.629 -1.051 1.00 20.30 H new ATOM 0 HD23 LEU A 66 11.135 8.284 0.029 1.00 20.30 H new ATOM 954 N GLN A 67 7.199 9.243 -2.343 1.00 30.13 N ATOM 955 CA GLN A 67 5.927 9.338 -1.637 1.00 22.31 C ATOM 956 C GLN A 67 4.722 9.205 -2.578 1.00 0.31 C ATOM 957 O GLN A 67 3.758 8.519 -2.240 1.00 55.42 O ATOM 958 CB GLN A 67 5.888 10.681 -0.896 1.00 25.44 C ATOM 959 CG GLN A 67 4.698 10.811 0.060 1.00 54.41 C ATOM 960 CD GLN A 67 4.575 12.238 0.584 1.00 22.22 C ATOM 961 OE1 GLN A 67 4.342 13.175 -0.180 1.00 43.12 O ATOM 962 NE2 GLN A 67 4.728 12.453 1.874 1.00 11.34 N ATOM 0 H GLN A 67 7.690 10.134 -2.415 1.00 30.13 H new ATOM 0 HA GLN A 67 5.856 8.509 -0.933 1.00 22.31 H new ATOM 0 HB2 GLN A 67 6.813 10.804 -0.333 1.00 25.44 H new ATOM 0 HB3 GLN A 67 5.849 11.490 -1.626 1.00 25.44 H new ATOM 0 HG2 GLN A 67 3.780 10.528 -0.455 1.00 54.41 H new ATOM 0 HG3 GLN A 67 4.820 10.122 0.895 1.00 54.41 H new ATOM 0 HE21 GLN A 67 4.921 11.673 2.502 1.00 11.34 H new ATOM 0 HE22 GLN A 67 4.654 13.400 2.246 1.00 11.34 H new ATOM 971 N ALA A 68 4.755 9.839 -3.755 1.00 23.52 N ATOM 972 CA ALA A 68 3.670 9.814 -4.732 1.00 52.01 C ATOM 973 C ALA A 68 3.289 8.389 -5.137 1.00 71.12 C ATOM 974 O ALA A 68 2.112 8.099 -5.356 1.00 4.24 O ATOM 975 CB ALA A 68 4.022 10.683 -5.938 1.00 1.13 C ATOM 0 H ALA A 68 5.555 10.394 -4.058 1.00 23.52 H new ATOM 0 HA ALA A 68 2.783 10.237 -4.260 1.00 52.01 H new ATOM 0 HB1 ALA A 68 3.204 10.655 -6.658 1.00 1.13 H new ATOM 0 HB2 ALA A 68 4.183 11.710 -5.612 1.00 1.13 H new ATOM 0 HB3 ALA A 68 4.931 10.305 -6.406 1.00 1.13 H new ATOM 981 N LEU A 69 4.261 7.475 -5.181 1.00 64.40 N ATOM 982 CA LEU A 69 4.014 6.075 -5.515 1.00 44.42 C ATOM 983 C LEU A 69 3.044 5.477 -4.483 1.00 35.13 C ATOM 984 O LEU A 69 2.215 4.630 -4.820 1.00 35.13 O ATOM 985 CB LEU A 69 5.343 5.303 -5.473 1.00 44.32 C ATOM 986 CG LEU A 69 6.273 5.494 -6.684 1.00 4.33 C ATOM 987 CD1 LEU A 69 7.703 5.101 -6.287 1.00 53.22 C ATOM 988 CD2 LEU A 69 5.842 4.627 -7.869 1.00 72.40 C ATOM 0 H LEU A 69 5.240 7.687 -4.986 1.00 64.40 H new ATOM 0 HA LEU A 69 3.581 6.002 -6.513 1.00 44.42 H new ATOM 0 HB2 LEU A 69 5.884 5.599 -4.574 1.00 44.32 H new ATOM 0 HB3 LEU A 69 5.120 4.241 -5.375 1.00 44.32 H new ATOM 0 HG LEU A 69 6.223 6.541 -6.984 1.00 4.33 H new ATOM 0 HD11 LEU A 69 8.367 5.234 -7.141 1.00 53.22 H new ATOM 0 HD12 LEU A 69 8.039 5.732 -5.464 1.00 53.22 H new ATOM 0 HD13 LEU A 69 7.720 4.057 -5.974 1.00 53.22 H new ATOM 0 HD21 LEU A 69 6.522 4.789 -8.705 1.00 72.40 H new ATOM 0 HD22 LEU A 69 5.867 3.576 -7.579 1.00 72.40 H new ATOM 0 HD23 LEU A 69 4.829 4.897 -8.168 1.00 72.40 H new ATOM 1000 N ASN A 70 3.146 5.876 -3.208 1.00 62.03 N ATOM 1001 CA ASN A 70 2.292 5.390 -2.118 1.00 42.11 C ATOM 1002 C ASN A 70 0.851 5.854 -2.333 1.00 14.02 C ATOM 1003 O ASN A 70 -0.100 5.138 -2.021 1.00 1.40 O ATOM 1004 CB ASN A 70 2.836 5.868 -0.757 1.00 33.15 C ATOM 1005 CG ASN A 70 2.688 4.836 0.362 1.00 13.41 C ATOM 1006 OD1 ASN A 70 1.915 3.888 0.294 1.00 75.21 O ATOM 1007 ND2 ASN A 70 3.492 4.972 1.403 1.00 55.45 N ATOM 0 H ASN A 70 3.838 6.559 -2.900 1.00 62.03 H new ATOM 0 HA ASN A 70 2.301 4.300 -2.117 1.00 42.11 H new ATOM 0 HB2 ASN A 70 3.890 6.123 -0.867 1.00 33.15 H new ATOM 0 HB3 ASN A 70 2.315 6.781 -0.468 1.00 33.15 H new ATOM 0 HD21 ASN A 70 3.471 4.285 2.157 1.00 55.45 H new ATOM 0 HD22 ASN A 70 4.133 5.764 1.452 1.00 55.45 H new ATOM 1014 N MET A 71 0.688 7.056 -2.891 1.00 21.14 N ATOM 1015 CA MET A 71 -0.612 7.637 -3.193 1.00 23.31 C ATOM 1016 C MET A 71 -1.298 6.742 -4.234 1.00 61.12 C ATOM 1017 O MET A 71 -2.476 6.413 -4.077 1.00 65.30 O ATOM 1018 CB MET A 71 -0.432 9.084 -3.693 1.00 3.31 C ATOM 1019 CG MET A 71 -1.077 10.111 -2.766 1.00 60.51 C ATOM 1020 SD MET A 71 -0.390 10.184 -1.085 1.00 42.43 S ATOM 1021 CE MET A 71 1.173 11.026 -1.431 1.00 45.34 C ATOM 0 H MET A 71 1.470 7.658 -3.148 1.00 21.14 H new ATOM 0 HA MET A 71 -1.241 7.686 -2.304 1.00 23.31 H new ATOM 0 HB2 MET A 71 0.632 9.302 -3.786 1.00 3.31 H new ATOM 0 HB3 MET A 71 -0.865 9.177 -4.689 1.00 3.31 H new ATOM 0 HG2 MET A 71 -0.983 11.097 -3.222 1.00 60.51 H new ATOM 0 HG3 MET A 71 -2.143 9.893 -2.696 1.00 60.51 H new ATOM 0 HE1 MET A 71 1.603 11.392 -0.499 1.00 45.34 H new ATOM 0 HE2 MET A 71 1.866 10.328 -1.901 1.00 45.34 H new ATOM 0 HE3 MET A 71 0.993 11.866 -2.102 1.00 45.34 H new ATOM 1031 N ALA A 72 -0.556 6.315 -5.267 1.00 52.12 N ATOM 1032 CA ALA A 72 -1.061 5.446 -6.328 1.00 33.31 C ATOM 1033 C ALA A 72 -1.462 4.077 -5.762 1.00 4.22 C ATOM 1034 O ALA A 72 -2.482 3.510 -6.147 1.00 4.11 O ATOM 1035 CB ALA A 72 0.002 5.277 -7.418 1.00 4.24 C ATOM 0 H ALA A 72 0.424 6.570 -5.386 1.00 52.12 H new ATOM 0 HA ALA A 72 -1.946 5.910 -6.764 1.00 33.31 H new ATOM 0 HB1 ALA A 72 -0.383 4.628 -8.204 1.00 4.24 H new ATOM 0 HB2 ALA A 72 0.249 6.251 -7.840 1.00 4.24 H new ATOM 0 HB3 ALA A 72 0.898 4.831 -6.986 1.00 4.24 H new ATOM 1041 N PHE A 73 -0.675 3.545 -4.823 1.00 44.44 N ATOM 1042 CA PHE A 73 -0.936 2.260 -4.188 1.00 53.24 C ATOM 1043 C PHE A 73 -2.296 2.284 -3.487 1.00 44.01 C ATOM 1044 O PHE A 73 -3.162 1.465 -3.796 1.00 24.55 O ATOM 1045 CB PHE A 73 0.205 1.947 -3.214 1.00 51.44 C ATOM 1046 CG PHE A 73 -0.024 0.771 -2.287 1.00 24.33 C ATOM 1047 CD1 PHE A 73 0.081 0.949 -0.893 1.00 42.24 C ATOM 1048 CD2 PHE A 73 -0.287 -0.509 -2.809 1.00 74.21 C ATOM 1049 CE1 PHE A 73 -0.061 -0.149 -0.030 1.00 23.24 C ATOM 1050 CE2 PHE A 73 -0.415 -1.609 -1.943 1.00 53.54 C ATOM 1051 CZ PHE A 73 -0.309 -1.429 -0.556 1.00 1.10 C ATOM 0 H PHE A 73 0.170 4.003 -4.482 1.00 44.44 H new ATOM 0 HA PHE A 73 -0.976 1.470 -4.938 1.00 53.24 H new ATOM 0 HB2 PHE A 73 1.110 1.759 -3.792 1.00 51.44 H new ATOM 0 HB3 PHE A 73 0.393 2.833 -2.607 1.00 51.44 H new ATOM 0 HD1 PHE A 73 0.271 1.932 -0.488 1.00 42.24 H new ATOM 0 HD2 PHE A 73 -0.391 -0.646 -3.875 1.00 74.21 H new ATOM 0 HE1 PHE A 73 0.020 -0.010 1.038 1.00 23.24 H new ATOM 0 HE2 PHE A 73 -0.595 -2.594 -2.346 1.00 53.54 H new ATOM 0 HZ PHE A 73 -0.418 -2.274 0.108 1.00 1.10 H new ATOM 1061 N ALA A 74 -2.490 3.233 -2.565 1.00 2.24 N ATOM 1062 CA ALA A 74 -3.732 3.370 -1.813 1.00 72.31 C ATOM 1063 C ALA A 74 -4.932 3.627 -2.736 1.00 21.53 C ATOM 1064 O ALA A 74 -6.030 3.133 -2.478 1.00 14.30 O ATOM 1065 CB ALA A 74 -3.573 4.487 -0.787 1.00 22.34 C ATOM 0 H ALA A 74 -1.784 3.928 -2.322 1.00 2.24 H new ATOM 0 HA ALA A 74 -3.935 2.432 -1.296 1.00 72.31 H new ATOM 0 HB1 ALA A 74 -4.498 4.595 -0.221 1.00 22.34 H new ATOM 0 HB2 ALA A 74 -2.757 4.243 -0.106 1.00 22.34 H new ATOM 0 HB3 ALA A 74 -3.350 5.423 -1.300 1.00 22.34 H new ATOM 1071 N SER A 75 -4.727 4.383 -3.814 1.00 5.14 N ATOM 1072 CA SER A 75 -5.750 4.705 -4.799 1.00 25.53 C ATOM 1073 C SER A 75 -6.306 3.423 -5.418 1.00 21.32 C ATOM 1074 O SER A 75 -7.522 3.266 -5.536 1.00 1.44 O ATOM 1075 CB SER A 75 -5.090 5.622 -5.833 1.00 44.21 C ATOM 1076 OG SER A 75 -5.737 5.728 -7.087 1.00 31.42 O ATOM 0 H SER A 75 -3.820 4.798 -4.029 1.00 5.14 H new ATOM 0 HA SER A 75 -6.603 5.216 -4.352 1.00 25.53 H new ATOM 0 HB2 SER A 75 -5.013 6.621 -5.403 1.00 44.21 H new ATOM 0 HB3 SER A 75 -4.073 5.269 -6.003 1.00 44.21 H new ATOM 0 HG SER A 75 -6.517 6.316 -7.004 1.00 31.42 H new ATOM 1082 N SER A 76 -5.434 2.482 -5.784 1.00 33.52 N ATOM 1083 CA SER A 76 -5.878 1.243 -6.399 1.00 14.32 C ATOM 1084 C SER A 76 -6.705 0.415 -5.412 1.00 72.33 C ATOM 1085 O SER A 76 -7.639 -0.269 -5.828 1.00 40.44 O ATOM 1086 CB SER A 76 -4.673 0.502 -6.967 1.00 22.12 C ATOM 1087 OG SER A 76 -3.888 1.361 -7.779 1.00 73.34 O ATOM 0 H SER A 76 -4.424 2.559 -5.664 1.00 33.52 H new ATOM 0 HA SER A 76 -6.546 1.452 -7.235 1.00 14.32 H new ATOM 0 HB2 SER A 76 -4.065 0.109 -6.152 1.00 22.12 H new ATOM 0 HB3 SER A 76 -5.010 -0.353 -7.554 1.00 22.12 H new ATOM 0 HG SER A 76 -3.368 1.966 -7.209 1.00 73.34 H new ATOM 1093 N LEU A 77 -6.404 0.466 -4.104 1.00 73.44 N ATOM 1094 CA LEU A 77 -7.195 -0.280 -3.129 1.00 42.55 C ATOM 1095 C LEU A 77 -8.624 0.269 -3.122 1.00 10.44 C ATOM 1096 O LEU A 77 -9.552 -0.504 -2.907 1.00 53.53 O ATOM 1097 CB LEU A 77 -6.622 -0.158 -1.707 1.00 50.15 C ATOM 1098 CG LEU A 77 -5.576 -1.227 -1.351 1.00 24.20 C ATOM 1099 CD1 LEU A 77 -4.174 -0.783 -1.751 1.00 51.32 C ATOM 1100 CD2 LEU A 77 -5.573 -1.468 0.156 1.00 3.32 C ATOM 0 H LEU A 77 -5.634 1.006 -3.709 1.00 73.44 H new ATOM 0 HA LEU A 77 -7.174 -1.331 -3.419 1.00 42.55 H new ATOM 0 HB2 LEU A 77 -6.170 0.827 -1.594 1.00 50.15 H new ATOM 0 HB3 LEU A 77 -7.442 -0.217 -0.991 1.00 50.15 H new ATOM 0 HG LEU A 77 -5.841 -2.136 -1.892 1.00 24.20 H new ATOM 0 HD11 LEU A 77 -3.457 -1.560 -1.486 1.00 51.32 H new ATOM 0 HD12 LEU A 77 -4.140 -0.609 -2.827 1.00 51.32 H new ATOM 0 HD13 LEU A 77 -3.921 0.138 -1.227 1.00 51.32 H new ATOM 0 HD21 LEU A 77 -4.830 -2.226 0.402 1.00 3.32 H new ATOM 0 HD22 LEU A 77 -5.329 -0.540 0.672 1.00 3.32 H new ATOM 0 HD23 LEU A 77 -6.559 -1.810 0.472 1.00 3.32 H new ATOM 1112 N ALA A 78 -8.809 1.580 -3.321 1.00 63.01 N ATOM 1113 CA ALA A 78 -10.124 2.212 -3.328 1.00 72.55 C ATOM 1114 C ALA A 78 -10.950 1.768 -4.526 1.00 11.25 C ATOM 1115 O ALA A 78 -12.150 1.579 -4.370 1.00 13.03 O ATOM 1116 CB ALA A 78 -9.986 3.730 -3.359 1.00 71.21 C ATOM 0 H ALA A 78 -8.042 2.232 -3.482 1.00 63.01 H new ATOM 0 HA ALA A 78 -10.634 1.904 -2.415 1.00 72.55 H new ATOM 0 HB1 ALA A 78 -10.976 4.185 -3.364 1.00 71.21 H new ATOM 0 HB2 ALA A 78 -9.438 4.064 -2.478 1.00 71.21 H new ATOM 0 HB3 ALA A 78 -9.445 4.028 -4.257 1.00 71.21 H new ATOM 1122 N GLU A 79 -10.332 1.600 -5.697 1.00 3.22 N ATOM 1123 CA GLU A 79 -11.041 1.166 -6.898 1.00 23.55 C ATOM 1124 C GLU A 79 -11.641 -0.215 -6.655 1.00 24.31 C ATOM 1125 O GLU A 79 -12.850 -0.398 -6.765 1.00 25.32 O ATOM 1126 CB GLU A 79 -10.063 1.136 -8.079 1.00 64.34 C ATOM 1127 CG GLU A 79 -10.741 0.680 -9.380 1.00 0.32 C ATOM 1128 CD GLU A 79 -9.726 0.604 -10.514 1.00 53.13 C ATOM 1129 OE1 GLU A 79 -9.405 -0.518 -10.968 1.00 54.34 O ATOM 1130 OE2 GLU A 79 -9.219 1.693 -10.883 1.00 52.34 O ATOM 0 H GLU A 79 -9.334 1.760 -5.837 1.00 3.22 H new ATOM 0 HA GLU A 79 -11.848 1.860 -7.132 1.00 23.55 H new ATOM 0 HB2 GLU A 79 -9.637 2.129 -8.222 1.00 64.34 H new ATOM 0 HB3 GLU A 79 -9.236 0.465 -7.847 1.00 64.34 H new ATOM 0 HG2 GLU A 79 -11.204 -0.296 -9.233 1.00 0.32 H new ATOM 0 HG3 GLU A 79 -11.538 1.375 -9.644 1.00 0.32 H new ATOM 1137 N ILE A 80 -10.797 -1.165 -6.247 1.00 21.13 N ATOM 1138 CA ILE A 80 -11.232 -2.525 -5.980 1.00 14.01 C ATOM 1139 C ILE A 80 -12.259 -2.490 -4.832 1.00 31.52 C ATOM 1140 O ILE A 80 -13.280 -3.175 -4.880 1.00 51.51 O ATOM 1141 CB ILE A 80 -9.995 -3.416 -5.712 1.00 24.15 C ATOM 1142 CG1 ILE A 80 -8.903 -3.346 -6.809 1.00 52.33 C ATOM 1143 CG2 ILE A 80 -10.408 -4.877 -5.504 1.00 31.21 C ATOM 1144 CD1 ILE A 80 -9.351 -3.745 -8.217 1.00 62.12 C ATOM 0 H ILE A 80 -9.801 -1.008 -6.095 1.00 21.13 H new ATOM 0 HA ILE A 80 -11.736 -2.972 -6.837 1.00 14.01 H new ATOM 0 HB ILE A 80 -9.551 -3.010 -4.803 1.00 24.15 H new ATOM 0 HG12 ILE A 80 -8.515 -2.328 -6.846 1.00 52.33 H new ATOM 0 HG13 ILE A 80 -8.076 -3.992 -6.514 1.00 52.33 H new ATOM 0 HG21 ILE A 80 -9.521 -5.483 -5.317 1.00 31.21 H new ATOM 0 HG22 ILE A 80 -11.081 -4.947 -4.650 1.00 31.21 H new ATOM 0 HG23 ILE A 80 -10.916 -5.242 -6.397 1.00 31.21 H new ATOM 0 HD11 ILE A 80 -8.509 -3.660 -8.904 1.00 62.12 H new ATOM 0 HD12 ILE A 80 -9.708 -4.775 -8.207 1.00 62.12 H new ATOM 0 HD13 ILE A 80 -10.155 -3.085 -8.544 1.00 62.12 H new ATOM 1156 N ALA A 81 -12.031 -1.658 -3.807 1.00 52.24 N ATOM 1157 CA ALA A 81 -12.934 -1.534 -2.675 1.00 22.01 C ATOM 1158 C ALA A 81 -14.310 -1.003 -3.079 1.00 55.13 C ATOM 1159 O ALA A 81 -15.291 -1.387 -2.438 1.00 41.13 O ATOM 1160 CB ALA A 81 -12.328 -0.616 -1.605 1.00 3.51 C ATOM 0 H ALA A 81 -11.211 -1.054 -3.748 1.00 52.24 H new ATOM 0 HA ALA A 81 -13.070 -2.537 -2.272 1.00 22.01 H new ATOM 0 HB1 ALA A 81 -13.017 -0.534 -0.764 1.00 3.51 H new ATOM 0 HB2 ALA A 81 -11.382 -1.034 -1.260 1.00 3.51 H new ATOM 0 HB3 ALA A 81 -12.154 0.373 -2.030 1.00 3.51 H new ATOM 1166 N ALA A 82 -14.396 -0.143 -4.095 1.00 1.24 N ATOM 1167 CA ALA A 82 -15.638 0.448 -4.569 1.00 1.04 C ATOM 1168 C ALA A 82 -16.456 -0.517 -5.434 1.00 0.22 C ATOM 1169 O ALA A 82 -17.607 -0.199 -5.738 1.00 23.32 O ATOM 1170 CB ALA A 82 -15.325 1.728 -5.353 1.00 13.35 C ATOM 0 H ALA A 82 -13.579 0.167 -4.622 1.00 1.24 H new ATOM 0 HA ALA A 82 -16.248 0.682 -3.696 1.00 1.04 H new ATOM 0 HB1 ALA A 82 -16.254 2.173 -5.709 1.00 13.35 H new ATOM 0 HB2 ALA A 82 -14.810 2.436 -4.704 1.00 13.35 H new ATOM 0 HB3 ALA A 82 -14.688 1.487 -6.204 1.00 13.35 H new ATOM 1176 N SER A 83 -15.905 -1.674 -5.810 1.00 44.33 N ATOM 1177 CA SER A 83 -16.584 -2.671 -6.622 1.00 32.22 C ATOM 1178 C SER A 83 -17.797 -3.247 -5.870 1.00 11.11 C ATOM 1179 O SER A 83 -17.989 -3.032 -4.668 1.00 4.40 O ATOM 1180 CB SER A 83 -15.561 -3.749 -7.004 1.00 65.44 C ATOM 1181 OG SER A 83 -16.035 -4.598 -8.029 1.00 52.14 O ATOM 0 H SER A 83 -14.956 -1.943 -5.550 1.00 44.33 H new ATOM 0 HA SER A 83 -16.979 -2.224 -7.534 1.00 32.22 H new ATOM 0 HB2 SER A 83 -14.637 -3.271 -7.329 1.00 65.44 H new ATOM 0 HB3 SER A 83 -15.319 -4.345 -6.124 1.00 65.44 H new ATOM 0 HG SER A 83 -15.352 -5.267 -8.241 1.00 52.14 H new ATOM 1187 N GLU A 84 -18.627 -4.009 -6.575 1.00 11.42 N ATOM 1188 CA GLU A 84 -19.843 -4.656 -6.078 1.00 52.51 C ATOM 1189 C GLU A 84 -19.567 -5.949 -5.285 1.00 2.55 C ATOM 1190 O GLU A 84 -20.495 -6.697 -4.972 1.00 43.33 O ATOM 1191 CB GLU A 84 -20.863 -4.840 -7.207 1.00 31.00 C ATOM 1192 CG GLU A 84 -20.246 -5.695 -8.301 1.00 1.23 C ATOM 1193 CD GLU A 84 -21.206 -6.078 -9.425 1.00 73.34 C ATOM 1194 OE1 GLU A 84 -22.433 -5.854 -9.324 1.00 53.53 O ATOM 1195 OE2 GLU A 84 -20.749 -6.668 -10.430 1.00 51.23 O ATOM 0 H GLU A 84 -18.463 -4.204 -7.563 1.00 11.42 H new ATOM 0 HA GLU A 84 -20.291 -3.983 -5.347 1.00 52.51 H new ATOM 0 HB2 GLU A 84 -21.766 -5.314 -6.824 1.00 31.00 H new ATOM 0 HB3 GLU A 84 -21.158 -3.871 -7.609 1.00 31.00 H new ATOM 0 HG2 GLU A 84 -19.400 -5.158 -8.730 1.00 1.23 H new ATOM 0 HG3 GLU A 84 -19.850 -6.606 -7.852 1.00 1.23 H new ATOM 1202 N GLU A 85 -18.304 -6.251 -4.988 1.00 24.04 N ATOM 1203 CA GLU A 85 -17.856 -7.431 -4.249 1.00 13.14 C ATOM 1204 C GLU A 85 -17.088 -6.960 -3.001 1.00 11.35 C ATOM 1205 O GLU A 85 -16.694 -5.796 -2.903 1.00 15.53 O ATOM 1206 CB GLU A 85 -17.050 -8.314 -5.228 1.00 72.12 C ATOM 1207 CG GLU A 85 -16.347 -9.556 -4.652 1.00 33.21 C ATOM 1208 CD GLU A 85 -17.199 -10.396 -3.694 1.00 42.22 C ATOM 1209 OE1 GLU A 85 -18.358 -10.752 -4.022 1.00 30.35 O ATOM 1210 OE2 GLU A 85 -16.743 -10.607 -2.548 1.00 13.43 O ATOM 0 H GLU A 85 -17.528 -5.651 -5.269 1.00 24.04 H new ATOM 0 HA GLU A 85 -18.672 -8.049 -3.874 1.00 13.14 H new ATOM 0 HB2 GLU A 85 -17.726 -8.646 -6.016 1.00 72.12 H new ATOM 0 HB3 GLU A 85 -16.293 -7.688 -5.700 1.00 72.12 H new ATOM 0 HG2 GLU A 85 -16.026 -10.189 -5.479 1.00 33.21 H new ATOM 0 HG3 GLU A 85 -15.447 -9.235 -4.128 1.00 33.21 H new ATOM 1217 N GLY A 86 -16.874 -7.848 -2.027 1.00 42.55 N ATOM 1218 CA GLY A 86 -16.178 -7.573 -0.786 1.00 21.11 C ATOM 1219 C GLY A 86 -17.184 -7.239 0.290 1.00 13.45 C ATOM 1220 O GLY A 86 -17.527 -6.066 0.455 1.00 44.20 O ATOM 0 H GLY A 86 -17.197 -8.813 -2.092 1.00 42.55 H new ATOM 0 HA2 GLY A 86 -15.585 -8.438 -0.489 1.00 21.11 H new ATOM 0 HA3 GLY A 86 -15.485 -6.743 -0.921 1.00 21.11 H new ATOM 1224 N GLY A 87 -17.667 -8.275 0.981 1.00 41.35 N ATOM 1225 CA GLY A 87 -18.629 -8.150 2.060 1.00 24.11 C ATOM 1226 C GLY A 87 -18.105 -7.179 3.113 1.00 0.21 C ATOM 1227 O GLY A 87 -16.941 -7.266 3.505 1.00 31.51 O ATOM 0 H GLY A 87 -17.390 -9.239 0.796 1.00 41.35 H new ATOM 0 HA2 GLY A 87 -19.583 -7.796 1.669 1.00 24.11 H new ATOM 0 HA3 GLY A 87 -18.811 -9.125 2.511 1.00 24.11 H new ATOM 1231 N GLY A 88 -18.987 -6.330 3.628 1.00 74.14 N ATOM 1232 CA GLY A 88 -18.666 -5.310 4.610 1.00 1.04 C ATOM 1233 C GLY A 88 -18.665 -4.001 3.835 1.00 14.02 C ATOM 1234 O GLY A 88 -18.048 -3.926 2.770 1.00 40.33 O ATOM 0 H GLY A 88 -19.972 -6.335 3.364 1.00 74.14 H new ATOM 0 HA2 GLY A 88 -19.402 -5.292 5.414 1.00 1.04 H new ATOM 0 HA3 GLY A 88 -17.696 -5.497 5.070 1.00 1.04 H new ATOM 1238 N SER A 89 -19.389 -2.991 4.326 1.00 61.13 N ATOM 1239 CA SER A 89 -19.474 -1.702 3.658 1.00 65.41 C ATOM 1240 C SER A 89 -18.078 -1.128 3.388 1.00 42.14 C ATOM 1241 O SER A 89 -17.101 -1.477 4.048 1.00 31.32 O ATOM 1242 CB SER A 89 -20.339 -0.752 4.489 1.00 44.34 C ATOM 1243 OG SER A 89 -20.683 0.377 3.709 1.00 72.21 O ATOM 0 H SER A 89 -19.926 -3.049 5.191 1.00 61.13 H new ATOM 0 HA SER A 89 -19.949 -1.830 2.685 1.00 65.41 H new ATOM 0 HB2 SER A 89 -21.241 -1.264 4.825 1.00 44.34 H new ATOM 0 HB3 SER A 89 -19.799 -0.439 5.383 1.00 44.34 H new ATOM 0 HG SER A 89 -21.238 0.985 4.240 1.00 72.21 H new ATOM 1249 N LEU A 90 -17.974 -0.171 2.463 1.00 3.24 N ATOM 1250 CA LEU A 90 -16.706 0.459 2.094 1.00 21.02 C ATOM 1251 C LEU A 90 -15.983 1.030 3.329 1.00 31.10 C ATOM 1252 O LEU A 90 -14.763 0.921 3.416 1.00 54.21 O ATOM 1253 CB LEU A 90 -16.948 1.487 0.970 1.00 70.12 C ATOM 1254 CG LEU A 90 -15.868 1.484 -0.137 1.00 24.01 C ATOM 1255 CD1 LEU A 90 -16.400 2.275 -1.336 1.00 75.34 C ATOM 1256 CD2 LEU A 90 -14.530 2.066 0.322 1.00 41.13 C ATOM 0 H LEU A 90 -18.775 0.191 1.945 1.00 3.24 H new ATOM 0 HA LEU A 90 -16.022 -0.289 1.693 1.00 21.02 H new ATOM 0 HB2 LEU A 90 -17.919 1.289 0.515 1.00 70.12 H new ATOM 0 HB3 LEU A 90 -16.999 2.483 1.409 1.00 70.12 H new ATOM 0 HG LEU A 90 -15.671 0.446 -0.406 1.00 24.01 H new ATOM 0 HD11 LEU A 90 -15.651 2.284 -2.128 1.00 75.34 H new ATOM 0 HD12 LEU A 90 -17.312 1.807 -1.705 1.00 75.34 H new ATOM 0 HD13 LEU A 90 -16.616 3.299 -1.030 1.00 75.34 H new ATOM 0 HD21 LEU A 90 -13.817 2.034 -0.502 1.00 41.13 H new ATOM 0 HD22 LEU A 90 -14.672 3.099 0.639 1.00 41.13 H new ATOM 0 HD23 LEU A 90 -14.146 1.480 1.157 1.00 41.13 H new ATOM 1268 N SER A 91 -16.711 1.596 4.304 1.00 61.12 N ATOM 1269 CA SER A 91 -16.116 2.148 5.530 1.00 60.14 C ATOM 1270 C SER A 91 -15.537 1.023 6.410 1.00 44.12 C ATOM 1271 O SER A 91 -14.567 1.210 7.147 1.00 21.23 O ATOM 1272 CB SER A 91 -17.174 2.954 6.293 1.00 63.13 C ATOM 1273 OG SER A 91 -16.563 3.881 7.163 1.00 12.22 O ATOM 0 H SER A 91 -17.726 1.684 4.265 1.00 61.12 H new ATOM 0 HA SER A 91 -15.294 2.811 5.261 1.00 60.14 H new ATOM 0 HB2 SER A 91 -17.817 3.480 5.587 1.00 63.13 H new ATOM 0 HB3 SER A 91 -17.812 2.278 6.863 1.00 63.13 H new ATOM 0 HG SER A 91 -17.254 4.387 7.640 1.00 12.22 H new ATOM 1279 N THR A 92 -16.145 -0.157 6.358 1.00 34.04 N ATOM 1280 CA THR A 92 -15.718 -1.337 7.086 1.00 72.13 C ATOM 1281 C THR A 92 -14.448 -1.829 6.374 1.00 4.32 C ATOM 1282 O THR A 92 -13.399 -2.024 6.986 1.00 11.11 O ATOM 1283 CB THR A 92 -16.857 -2.375 7.039 1.00 72.03 C ATOM 1284 OG1 THR A 92 -18.133 -1.753 7.033 1.00 55.22 O ATOM 1285 CG2 THR A 92 -16.770 -3.318 8.225 1.00 64.11 C ATOM 0 H THR A 92 -16.975 -0.319 5.788 1.00 34.04 H new ATOM 0 HA THR A 92 -15.500 -1.147 8.137 1.00 72.13 H new ATOM 0 HB THR A 92 -16.739 -2.937 6.113 1.00 72.03 H new ATOM 0 HG1 THR A 92 -18.831 -2.440 7.001 1.00 55.22 H new ATOM 0 HG21 THR A 92 -17.582 -4.043 8.174 1.00 64.11 H new ATOM 0 HG22 THR A 92 -15.814 -3.842 8.204 1.00 64.11 H new ATOM 0 HG23 THR A 92 -16.851 -2.747 9.150 1.00 64.11 H new ATOM 1293 N LYS A 93 -14.513 -1.925 5.042 1.00 34.41 N ATOM 1294 CA LYS A 93 -13.444 -2.346 4.152 1.00 70.04 C ATOM 1295 C LYS A 93 -12.181 -1.530 4.446 1.00 62.15 C ATOM 1296 O LYS A 93 -11.119 -2.140 4.626 1.00 41.54 O ATOM 1297 CB LYS A 93 -13.933 -2.251 2.691 1.00 4.12 C ATOM 1298 CG LYS A 93 -13.190 -3.247 1.792 1.00 43.23 C ATOM 1299 CD LYS A 93 -13.712 -3.281 0.346 1.00 22.22 C ATOM 1300 CE LYS A 93 -15.040 -4.023 0.130 1.00 34.13 C ATOM 1301 NZ LYS A 93 -15.423 -4.028 -1.306 1.00 13.54 N ATOM 0 H LYS A 93 -15.367 -1.696 4.534 1.00 34.41 H new ATOM 0 HA LYS A 93 -13.175 -3.389 4.320 1.00 70.04 H new ATOM 0 HB2 LYS A 93 -15.004 -2.449 2.650 1.00 4.12 H new ATOM 0 HB3 LYS A 93 -13.781 -1.238 2.319 1.00 4.12 H new ATOM 0 HG2 LYS A 93 -12.130 -2.992 1.781 1.00 43.23 H new ATOM 0 HG3 LYS A 93 -13.274 -4.245 2.223 1.00 43.23 H new ATOM 0 HD2 LYS A 93 -13.831 -2.255 -0.001 1.00 22.22 H new ATOM 0 HD3 LYS A 93 -12.952 -3.745 -0.283 1.00 22.22 H new ATOM 0 HE2 LYS A 93 -14.950 -5.048 0.489 1.00 34.13 H new ATOM 0 HE3 LYS A 93 -15.825 -3.548 0.717 1.00 34.13 H new ATOM 0 HZ1 LYS A 93 -16.169 -4.735 -1.464 1.00 13.54 H new ATOM 0 HZ2 LYS A 93 -15.776 -3.087 -1.574 1.00 13.54 H new ATOM 0 HZ3 LYS A 93 -14.593 -4.265 -1.886 1.00 13.54 H new ATOM 1315 N THR A 94 -12.277 -0.196 4.539 1.00 62.13 N ATOM 1316 CA THR A 94 -11.136 0.667 4.837 1.00 41.42 C ATOM 1317 C THR A 94 -10.529 0.273 6.188 1.00 35.43 C ATOM 1318 O THR A 94 -9.327 0.021 6.269 1.00 43.43 O ATOM 1319 CB THR A 94 -11.508 2.156 4.732 1.00 22.23 C ATOM 1320 OG1 THR A 94 -12.715 2.430 5.391 1.00 54.22 O ATOM 1321 CG2 THR A 94 -11.682 2.564 3.267 1.00 14.50 C ATOM 0 H THR A 94 -13.152 0.311 4.409 1.00 62.13 H new ATOM 0 HA THR A 94 -10.362 0.518 4.084 1.00 41.42 H new ATOM 0 HB THR A 94 -10.696 2.716 5.196 1.00 22.23 H new ATOM 0 HG1 THR A 94 -13.001 1.638 5.893 1.00 54.22 H new ATOM 0 HG21 THR A 94 -11.945 3.620 3.212 1.00 14.50 H new ATOM 0 HG22 THR A 94 -10.750 2.394 2.729 1.00 14.50 H new ATOM 0 HG23 THR A 94 -12.476 1.969 2.815 1.00 14.50 H new ATOM 1329 N SER A 95 -11.362 0.148 7.224 1.00 42.50 N ATOM 1330 CA SER A 95 -10.968 -0.228 8.576 1.00 34.35 C ATOM 1331 C SER A 95 -10.149 -1.531 8.610 1.00 53.51 C ATOM 1332 O SER A 95 -9.182 -1.627 9.379 1.00 44.35 O ATOM 1333 CB SER A 95 -12.255 -0.334 9.411 1.00 70.33 C ATOM 1334 OG SER A 95 -12.025 -0.421 10.801 1.00 52.24 O ATOM 0 H SER A 95 -12.365 0.313 7.137 1.00 42.50 H new ATOM 0 HA SER A 95 -10.305 0.530 8.994 1.00 34.35 H new ATOM 0 HB2 SER A 95 -12.881 0.535 9.209 1.00 70.33 H new ATOM 0 HB3 SER A 95 -12.815 -1.212 9.089 1.00 70.33 H new ATOM 0 HG SER A 95 -12.883 -0.484 11.271 1.00 52.24 H new ATOM 1340 N SER A 96 -10.489 -2.526 7.785 1.00 33.23 N ATOM 1341 CA SER A 96 -9.773 -3.802 7.759 1.00 52.15 C ATOM 1342 C SER A 96 -8.338 -3.644 7.247 1.00 74.55 C ATOM 1343 O SER A 96 -7.423 -4.302 7.744 1.00 3.33 O ATOM 1344 CB SER A 96 -10.529 -4.863 6.939 1.00 61.02 C ATOM 1345 OG SER A 96 -11.568 -4.351 6.117 1.00 21.41 O ATOM 0 H SER A 96 -11.262 -2.470 7.122 1.00 33.23 H new ATOM 0 HA SER A 96 -9.720 -4.149 8.791 1.00 52.15 H new ATOM 0 HB2 SER A 96 -9.814 -5.393 6.309 1.00 61.02 H new ATOM 0 HB3 SER A 96 -10.955 -5.596 7.624 1.00 61.02 H new ATOM 0 HG SER A 96 -11.210 -3.644 5.540 1.00 21.41 H new ATOM 1351 N ILE A 97 -8.123 -2.776 6.255 1.00 25.15 N ATOM 1352 CA ILE A 97 -6.810 -2.533 5.662 1.00 74.31 C ATOM 1353 C ILE A 97 -5.850 -2.005 6.725 1.00 65.44 C ATOM 1354 O ILE A 97 -4.716 -2.476 6.774 1.00 32.22 O ATOM 1355 CB ILE A 97 -6.947 -1.570 4.473 1.00 71.03 C ATOM 1356 CG1 ILE A 97 -7.793 -2.242 3.379 1.00 55.15 C ATOM 1357 CG2 ILE A 97 -5.603 -1.120 3.882 1.00 60.24 C ATOM 1358 CD1 ILE A 97 -8.575 -1.213 2.559 1.00 35.22 C ATOM 0 H ILE A 97 -8.867 -2.216 5.838 1.00 25.15 H new ATOM 0 HA ILE A 97 -6.395 -3.466 5.282 1.00 74.31 H new ATOM 0 HB ILE A 97 -7.431 -0.669 4.850 1.00 71.03 H new ATOM 0 HG12 ILE A 97 -7.144 -2.817 2.718 1.00 55.15 H new ATOM 0 HG13 ILE A 97 -8.487 -2.947 3.837 1.00 55.15 H new ATOM 0 HG21 ILE A 97 -5.781 -0.442 3.047 1.00 60.24 H new ATOM 0 HG22 ILE A 97 -5.022 -0.607 4.648 1.00 60.24 H new ATOM 0 HG23 ILE A 97 -5.050 -1.991 3.530 1.00 60.24 H new ATOM 0 HD11 ILE A 97 -9.161 -1.725 1.796 1.00 35.22 H new ATOM 0 HD12 ILE A 97 -9.243 -0.656 3.216 1.00 35.22 H new ATOM 0 HD13 ILE A 97 -7.879 -0.524 2.080 1.00 35.22 H new ATOM 1370 N ALA A 98 -6.271 -1.063 7.580 1.00 14.35 N ATOM 1371 CA ALA A 98 -5.397 -0.524 8.626 1.00 20.25 C ATOM 1372 C ALA A 98 -4.907 -1.646 9.547 1.00 24.43 C ATOM 1373 O ALA A 98 -3.766 -1.638 10.019 1.00 21.33 O ATOM 1374 CB ALA A 98 -6.130 0.541 9.450 1.00 44.12 C ATOM 0 H ALA A 98 -7.208 -0.661 7.567 1.00 14.35 H new ATOM 0 HA ALA A 98 -4.537 -0.062 8.142 1.00 20.25 H new ATOM 0 HB1 ALA A 98 -5.463 0.928 10.221 1.00 44.12 H new ATOM 0 HB2 ALA A 98 -6.441 1.356 8.797 1.00 44.12 H new ATOM 0 HB3 ALA A 98 -7.008 0.097 9.919 1.00 44.12 H new ATOM 1380 N SER A 99 -5.773 -2.624 9.805 1.00 24.44 N ATOM 1381 CA SER A 99 -5.434 -3.752 10.657 1.00 61.01 C ATOM 1382 C SER A 99 -4.417 -4.638 9.922 1.00 32.51 C ATOM 1383 O SER A 99 -3.382 -4.978 10.505 1.00 12.24 O ATOM 1384 CB SER A 99 -6.714 -4.475 11.098 1.00 43.31 C ATOM 1385 OG SER A 99 -6.439 -5.480 12.059 1.00 21.43 O ATOM 0 H SER A 99 -6.721 -2.653 9.431 1.00 24.44 H new ATOM 0 HA SER A 99 -4.953 -3.429 11.580 1.00 61.01 H new ATOM 0 HB2 SER A 99 -7.415 -3.753 11.516 1.00 43.31 H new ATOM 0 HB3 SER A 99 -7.197 -4.923 10.230 1.00 43.31 H new ATOM 0 HG SER A 99 -7.275 -5.920 12.320 1.00 21.43 H new ATOM 1391 N ALA A 100 -4.661 -4.970 8.645 1.00 62.41 N ATOM 1392 CA ALA A 100 -3.742 -5.803 7.869 1.00 34.11 C ATOM 1393 C ALA A 100 -2.380 -5.110 7.714 1.00 23.43 C ATOM 1394 O ALA A 100 -1.343 -5.766 7.778 1.00 54.01 O ATOM 1395 CB ALA A 100 -4.373 -6.136 6.515 1.00 10.53 C ATOM 0 H ALA A 100 -5.490 -4.671 8.131 1.00 62.41 H new ATOM 0 HA ALA A 100 -3.563 -6.738 8.399 1.00 34.11 H new ATOM 0 HB1 ALA A 100 -3.688 -6.757 5.937 1.00 10.53 H new ATOM 0 HB2 ALA A 100 -5.307 -6.675 6.672 1.00 10.53 H new ATOM 0 HB3 ALA A 100 -4.574 -5.213 5.970 1.00 10.53 H new ATOM 1401 N LEU A 101 -2.367 -3.785 7.535 1.00 64.44 N ATOM 1402 CA LEU A 101 -1.160 -2.967 7.398 1.00 74.11 C ATOM 1403 C LEU A 101 -0.337 -3.119 8.669 1.00 3.11 C ATOM 1404 O LEU A 101 0.866 -3.361 8.608 1.00 43.11 O ATOM 1405 CB LEU A 101 -1.536 -1.484 7.225 1.00 63.10 C ATOM 1406 CG LEU A 101 -1.647 -1.033 5.761 1.00 1.43 C ATOM 1407 CD1 LEU A 101 -2.561 0.190 5.630 1.00 70.35 C ATOM 1408 CD2 LEU A 101 -0.266 -0.649 5.227 1.00 42.44 C ATOM 0 H LEU A 101 -3.225 -3.236 7.480 1.00 64.44 H new ATOM 0 HA LEU A 101 -0.595 -3.293 6.524 1.00 74.11 H new ATOM 0 HB2 LEU A 101 -2.488 -1.301 7.724 1.00 63.10 H new ATOM 0 HB3 LEU A 101 -0.789 -0.870 7.728 1.00 63.10 H new ATOM 0 HG LEU A 101 -2.063 -1.864 5.191 1.00 1.43 H new ATOM 0 HD11 LEU A 101 -2.622 0.488 4.583 1.00 70.35 H new ATOM 0 HD12 LEU A 101 -3.557 -0.060 5.995 1.00 70.35 H new ATOM 0 HD13 LEU A 101 -2.155 1.013 6.219 1.00 70.35 H new ATOM 0 HD21 LEU A 101 -0.353 -0.330 4.188 1.00 42.44 H new ATOM 0 HD22 LEU A 101 0.141 0.167 5.824 1.00 42.44 H new ATOM 0 HD23 LEU A 101 0.400 -1.510 5.288 1.00 42.44 H new ATOM 1420 N SER A 102 -0.991 -2.973 9.823 1.00 32.00 N ATOM 1421 CA SER A 102 -0.358 -3.098 11.125 1.00 71.14 C ATOM 1422 C SER A 102 0.321 -4.463 11.248 1.00 50.05 C ATOM 1423 O SER A 102 1.473 -4.546 11.675 1.00 4.51 O ATOM 1424 CB SER A 102 -1.411 -2.872 12.215 1.00 0.15 C ATOM 1425 OG SER A 102 -2.032 -1.604 12.079 1.00 51.24 O ATOM 0 H SER A 102 -1.988 -2.762 9.874 1.00 32.00 H new ATOM 0 HA SER A 102 0.419 -2.343 11.244 1.00 71.14 H new ATOM 0 HB2 SER A 102 -2.166 -3.656 12.162 1.00 0.15 H new ATOM 0 HB3 SER A 102 -0.943 -2.946 13.197 1.00 0.15 H new ATOM 0 HG SER A 102 -2.799 -1.679 11.473 1.00 51.24 H new ATOM 1431 N ASN A 103 -0.375 -5.529 10.840 1.00 3.34 N ATOM 1432 CA ASN A 103 0.161 -6.881 10.895 1.00 14.44 C ATOM 1433 C ASN A 103 1.389 -7.012 9.987 1.00 22.11 C ATOM 1434 O ASN A 103 2.414 -7.538 10.424 1.00 51.12 O ATOM 1435 CB ASN A 103 -0.928 -7.886 10.515 1.00 43.15 C ATOM 1436 CG ASN A 103 -0.411 -9.297 10.722 1.00 13.42 C ATOM 1437 OD1 ASN A 103 0.250 -9.852 9.854 1.00 3.12 O ATOM 1438 ND2 ASN A 103 -0.680 -9.889 11.871 1.00 25.12 N ATOM 0 H ASN A 103 -1.322 -5.473 10.465 1.00 3.34 H new ATOM 0 HA ASN A 103 0.484 -7.097 11.913 1.00 14.44 H new ATOM 0 HB2 ASN A 103 -1.818 -7.721 11.123 1.00 43.15 H new ATOM 0 HB3 ASN A 103 -1.221 -7.744 9.475 1.00 43.15 H new ATOM 0 HD21 ASN A 103 -0.335 -10.831 12.052 1.00 25.12 H new ATOM 0 HD22 ASN A 103 -1.233 -9.404 12.577 1.00 25.12 H new ATOM 1445 N ALA A 104 1.308 -6.494 8.754 1.00 32.14 N ATOM 1446 CA ALA A 104 2.385 -6.525 7.766 1.00 34.11 C ATOM 1447 C ALA A 104 3.630 -5.796 8.276 1.00 64.21 C ATOM 1448 O ALA A 104 4.748 -6.300 8.132 1.00 43.21 O ATOM 1449 CB ALA A 104 1.902 -5.907 6.450 1.00 24.13 C ATOM 0 H ALA A 104 0.467 -6.030 8.411 1.00 32.14 H new ATOM 0 HA ALA A 104 2.660 -7.565 7.593 1.00 34.11 H new ATOM 0 HB1 ALA A 104 2.709 -5.933 5.718 1.00 24.13 H new ATOM 0 HB2 ALA A 104 1.051 -6.474 6.072 1.00 24.13 H new ATOM 0 HB3 ALA A 104 1.602 -4.873 6.622 1.00 24.13 H new ATOM 1455 N PHE A 105 3.464 -4.613 8.881 1.00 62.44 N ATOM 1456 CA PHE A 105 4.585 -3.856 9.420 1.00 51.23 C ATOM 1457 C PHE A 105 5.241 -4.674 10.528 1.00 61.21 C ATOM 1458 O PHE A 105 6.468 -4.769 10.573 1.00 71.14 O ATOM 1459 CB PHE A 105 4.141 -2.471 9.909 1.00 72.33 C ATOM 1460 CG PHE A 105 4.129 -1.423 8.811 1.00 75.31 C ATOM 1461 CD1 PHE A 105 5.340 -1.052 8.197 1.00 52.25 C ATOM 1462 CD2 PHE A 105 2.927 -0.824 8.389 1.00 32.35 C ATOM 1463 CE1 PHE A 105 5.346 -0.116 7.149 1.00 55.45 C ATOM 1464 CE2 PHE A 105 2.938 0.135 7.361 1.00 13.53 C ATOM 1465 CZ PHE A 105 4.144 0.483 6.733 1.00 23.44 C ATOM 0 H PHE A 105 2.557 -4.163 9.006 1.00 62.44 H new ATOM 0 HA PHE A 105 5.318 -3.677 8.634 1.00 51.23 H new ATOM 0 HB2 PHE A 105 3.143 -2.548 10.339 1.00 72.33 H new ATOM 0 HB3 PHE A 105 4.808 -2.144 10.707 1.00 72.33 H new ATOM 0 HD1 PHE A 105 6.269 -1.489 8.533 1.00 52.25 H new ATOM 0 HD2 PHE A 105 1.994 -1.102 8.856 1.00 32.35 H new ATOM 0 HE1 PHE A 105 6.275 0.143 6.663 1.00 55.45 H new ATOM 0 HE2 PHE A 105 2.016 0.605 7.054 1.00 13.53 H new ATOM 0 HZ PHE A 105 4.149 1.208 5.933 1.00 23.44 H new ATOM 1475 N LEU A 106 4.451 -5.316 11.396 1.00 73.25 N ATOM 1476 CA LEU A 106 5.017 -6.130 12.463 1.00 42.45 C ATOM 1477 C LEU A 106 5.754 -7.347 11.911 1.00 34.12 C ATOM 1478 O LEU A 106 6.731 -7.777 12.518 1.00 42.53 O ATOM 1479 CB LEU A 106 3.956 -6.581 13.467 1.00 63.22 C ATOM 1480 CG LEU A 106 3.460 -5.481 14.417 1.00 40.44 C ATOM 1481 CD1 LEU A 106 2.486 -6.138 15.385 1.00 43.12 C ATOM 1482 CD2 LEU A 106 4.581 -4.812 15.219 1.00 35.52 C ATOM 0 H LEU A 106 3.432 -5.285 11.377 1.00 73.25 H new ATOM 0 HA LEU A 106 5.732 -5.494 12.985 1.00 42.45 H new ATOM 0 HB2 LEU A 106 3.103 -6.980 12.918 1.00 63.22 H new ATOM 0 HB3 LEU A 106 4.363 -7.399 14.062 1.00 63.22 H new ATOM 0 HG LEU A 106 3.001 -4.694 13.819 1.00 40.44 H new ATOM 0 HD11 LEU A 106 2.106 -5.391 16.082 1.00 43.12 H new ATOM 0 HD12 LEU A 106 1.655 -6.570 14.828 1.00 43.12 H new ATOM 0 HD13 LEU A 106 2.999 -6.924 15.939 1.00 43.12 H new ATOM 0 HD21 LEU A 106 4.157 -4.046 15.868 1.00 35.52 H new ATOM 0 HD22 LEU A 106 5.091 -5.560 15.826 1.00 35.52 H new ATOM 0 HD23 LEU A 106 5.294 -4.353 14.534 1.00 35.52 H new ATOM 1494 N GLN A 107 5.312 -7.931 10.799 1.00 71.42 N ATOM 1495 CA GLN A 107 5.990 -9.088 10.225 1.00 23.24 C ATOM 1496 C GLN A 107 7.294 -8.689 9.530 1.00 42.44 C ATOM 1497 O GLN A 107 8.240 -9.476 9.523 1.00 71.04 O ATOM 1498 CB GLN A 107 5.085 -9.770 9.197 1.00 3.53 C ATOM 1499 CG GLN A 107 4.013 -10.681 9.808 1.00 72.04 C ATOM 1500 CD GLN A 107 3.324 -11.542 8.741 1.00 64.04 C ATOM 1501 OE1 GLN A 107 3.953 -12.061 7.823 1.00 63.23 O ATOM 1502 NE2 GLN A 107 2.022 -11.726 8.811 1.00 10.25 N ATOM 0 H GLN A 107 4.490 -7.622 10.280 1.00 71.42 H new ATOM 0 HA GLN A 107 6.219 -9.769 11.045 1.00 23.24 H new ATOM 0 HB2 GLN A 107 4.595 -9.004 8.596 1.00 3.53 H new ATOM 0 HB3 GLN A 107 5.703 -10.359 8.520 1.00 3.53 H new ATOM 0 HG2 GLN A 107 4.469 -11.327 10.558 1.00 72.04 H new ATOM 0 HG3 GLN A 107 3.268 -10.073 10.321 1.00 72.04 H new ATOM 0 HE21 GLN A 107 1.487 -11.301 9.568 1.00 10.25 H new ATOM 0 HE22 GLN A 107 1.549 -12.294 8.108 1.00 10.25 H new ATOM 1511 N THR A 108 7.373 -7.488 8.952 1.00 20.44 N ATOM 1512 CA THR A 108 8.574 -7.051 8.252 1.00 33.11 C ATOM 1513 C THR A 108 9.598 -6.375 9.166 1.00 23.52 C ATOM 1514 O THR A 108 10.778 -6.730 9.080 1.00 15.53 O ATOM 1515 CB THR A 108 8.205 -6.182 7.037 1.00 3.40 C ATOM 1516 OG1 THR A 108 7.160 -5.264 7.327 1.00 41.32 O ATOM 1517 CG2 THR A 108 7.773 -7.039 5.847 1.00 34.50 C ATOM 0 H THR A 108 6.617 -6.804 8.957 1.00 20.44 H new ATOM 0 HA THR A 108 9.075 -7.948 7.886 1.00 33.11 H new ATOM 0 HB THR A 108 9.108 -5.626 6.787 1.00 3.40 H new ATOM 0 HG1 THR A 108 6.322 -5.754 7.459 1.00 41.32 H new ATOM 0 HG21 THR A 108 7.520 -6.393 5.006 1.00 34.50 H new ATOM 0 HG22 THR A 108 8.589 -7.703 5.561 1.00 34.50 H new ATOM 0 HG23 THR A 108 6.902 -7.633 6.124 1.00 34.50 H new ATOM 1525 N THR A 109 9.195 -5.437 10.028 1.00 72.23 N ATOM 1526 CA THR A 109 10.104 -4.719 10.925 1.00 4.10 C ATOM 1527 C THR A 109 9.726 -4.789 12.409 1.00 23.34 C ATOM 1528 O THR A 109 10.486 -4.295 13.247 1.00 22.21 O ATOM 1529 CB THR A 109 10.263 -3.269 10.424 1.00 34.54 C ATOM 1530 OG1 THR A 109 9.008 -2.666 10.146 1.00 62.21 O ATOM 1531 CG2 THR A 109 11.059 -3.220 9.119 1.00 14.02 C ATOM 0 H THR A 109 8.220 -5.152 10.123 1.00 72.23 H new ATOM 0 HA THR A 109 11.067 -5.229 10.886 1.00 4.10 H new ATOM 0 HB THR A 109 10.778 -2.736 11.223 1.00 34.54 H new ATOM 0 HG1 THR A 109 9.148 -1.748 9.833 1.00 62.21 H new ATOM 0 HG21 THR A 109 11.155 -2.185 8.790 1.00 14.02 H new ATOM 0 HG22 THR A 109 12.051 -3.643 9.282 1.00 14.02 H new ATOM 0 HG23 THR A 109 10.540 -3.797 8.354 1.00 14.02 H new ATOM 1539 N GLY A 110 8.574 -5.365 12.778 1.00 61.11 N ATOM 1540 CA GLY A 110 8.203 -5.448 14.180 1.00 22.01 C ATOM 1541 C GLY A 110 7.929 -4.074 14.790 1.00 5.11 C ATOM 1542 O GLY A 110 8.084 -3.933 16.000 1.00 4.21 O ATOM 0 H GLY A 110 7.899 -5.772 12.131 1.00 61.11 H new ATOM 0 HA2 GLY A 110 7.315 -6.072 14.282 1.00 22.01 H new ATOM 0 HA3 GLY A 110 9.002 -5.937 14.737 1.00 22.01 H new ATOM 1546 N VAL A 111 7.578 -3.053 13.999 1.00 3.13 N ATOM 1547 CA VAL A 111 7.286 -1.713 14.508 1.00 63.11 C ATOM 1548 C VAL A 111 6.054 -1.181 13.770 1.00 11.20 C ATOM 1549 O VAL A 111 6.067 -0.991 12.552 1.00 72.30 O ATOM 1550 CB VAL A 111 8.548 -0.822 14.459 1.00 14.41 C ATOM 1551 CG1 VAL A 111 9.235 -0.753 13.089 1.00 22.12 C ATOM 1552 CG2 VAL A 111 8.222 0.603 14.922 1.00 41.13 C ATOM 0 H VAL A 111 7.489 -3.136 12.986 1.00 3.13 H new ATOM 0 HA VAL A 111 7.026 -1.723 15.566 1.00 63.11 H new ATOM 0 HB VAL A 111 9.252 -1.304 15.137 1.00 14.41 H new ATOM 0 HG11 VAL A 111 10.109 -0.105 13.153 1.00 22.12 H new ATOM 0 HG12 VAL A 111 9.545 -1.753 12.787 1.00 22.12 H new ATOM 0 HG13 VAL A 111 8.539 -0.351 12.353 1.00 22.12 H new ATOM 0 HG21 VAL A 111 9.123 1.214 14.880 1.00 41.13 H new ATOM 0 HG22 VAL A 111 7.462 1.033 14.270 1.00 41.13 H new ATOM 0 HG23 VAL A 111 7.849 0.576 15.946 1.00 41.13 H new ATOM 1562 N VAL A 112 4.970 -0.961 14.512 1.00 22.30 N ATOM 1563 CA VAL A 112 3.686 -0.477 14.017 1.00 14.12 C ATOM 1564 C VAL A 112 3.452 0.958 14.510 1.00 61.43 C ATOM 1565 O VAL A 112 3.721 1.266 15.670 1.00 31.12 O ATOM 1566 CB VAL A 112 2.604 -1.483 14.473 1.00 44.02 C ATOM 1567 CG1 VAL A 112 2.565 -1.710 15.992 1.00 64.45 C ATOM 1568 CG2 VAL A 112 1.197 -1.099 14.011 1.00 3.42 C ATOM 0 H VAL A 112 4.964 -1.123 15.519 1.00 22.30 H new ATOM 0 HA VAL A 112 3.654 -0.423 12.929 1.00 14.12 H new ATOM 0 HB VAL A 112 2.906 -2.412 13.990 1.00 44.02 H new ATOM 0 HG11 VAL A 112 1.781 -2.428 16.233 1.00 64.45 H new ATOM 0 HG12 VAL A 112 3.527 -2.098 16.327 1.00 64.45 H new ATOM 0 HG13 VAL A 112 2.359 -0.766 16.496 1.00 64.45 H new ATOM 0 HG21 VAL A 112 0.483 -1.844 14.362 1.00 3.42 H new ATOM 0 HG22 VAL A 112 0.934 -0.123 14.419 1.00 3.42 H new ATOM 0 HG23 VAL A 112 1.171 -1.056 12.922 1.00 3.42 H new ATOM 1578 N ASN A 113 2.982 1.845 13.628 1.00 50.14 N ATOM 1579 CA ASN A 113 2.685 3.245 13.920 1.00 74.02 C ATOM 1580 C ASN A 113 1.263 3.525 13.442 1.00 34.23 C ATOM 1581 O ASN A 113 1.035 3.605 12.237 1.00 71.23 O ATOM 1582 CB ASN A 113 3.718 4.176 13.260 1.00 41.11 C ATOM 1583 CG ASN A 113 5.000 4.249 14.076 1.00 21.21 C ATOM 1584 OD1 ASN A 113 5.905 3.431 13.907 1.00 13.14 O ATOM 1585 ND2 ASN A 113 5.106 5.222 14.968 1.00 32.53 N ATOM 0 H ASN A 113 2.792 1.596 12.657 1.00 50.14 H new ATOM 0 HA ASN A 113 2.750 3.438 14.991 1.00 74.02 H new ATOM 0 HB2 ASN A 113 3.944 3.818 12.256 1.00 41.11 H new ATOM 0 HB3 ASN A 113 3.295 5.175 13.154 1.00 41.11 H new ATOM 0 HD21 ASN A 113 5.951 5.306 15.533 1.00 32.53 H new ATOM 0 HD22 ASN A 113 4.343 5.888 15.090 1.00 32.53 H new ATOM 1592 N GLN A 114 0.307 3.674 14.363 1.00 62.15 N ATOM 1593 CA GLN A 114 -1.099 3.921 14.062 1.00 24.22 C ATOM 1594 C GLN A 114 -1.365 5.019 13.022 1.00 13.44 C ATOM 1595 O GLN A 114 -2.016 4.693 12.025 1.00 72.34 O ATOM 1596 CB GLN A 114 -1.913 4.159 15.350 1.00 45.34 C ATOM 1597 CG GLN A 114 -3.364 4.612 15.082 1.00 23.02 C ATOM 1598 CD GLN A 114 -4.154 4.812 16.371 1.00 43.34 C ATOM 1599 OE1 GLN A 114 -4.437 3.850 17.084 1.00 30.21 O ATOM 1600 NE2 GLN A 114 -4.560 6.033 16.672 1.00 35.24 N ATOM 0 H GLN A 114 0.498 3.624 15.364 1.00 62.15 H new ATOM 0 HA GLN A 114 -1.443 3.004 13.585 1.00 24.22 H new ATOM 0 HB2 GLN A 114 -1.929 3.240 15.936 1.00 45.34 H new ATOM 0 HB3 GLN A 114 -1.410 4.914 15.955 1.00 45.34 H new ATOM 0 HG2 GLN A 114 -3.353 5.544 14.517 1.00 23.02 H new ATOM 0 HG3 GLN A 114 -3.866 3.869 14.462 1.00 23.02 H new ATOM 0 HE21 GLN A 114 -4.314 6.816 16.067 1.00 35.24 H new ATOM 0 HE22 GLN A 114 -5.120 6.192 17.510 1.00 35.24 H new ATOM 1609 N PRO A 115 -0.939 6.284 13.203 1.00 61.23 N ATOM 1610 CA PRO A 115 -1.224 7.347 12.239 1.00 71.12 C ATOM 1611 C PRO A 115 -0.567 7.112 10.891 1.00 43.13 C ATOM 1612 O PRO A 115 -1.194 7.353 9.863 1.00 30.30 O ATOM 1613 CB PRO A 115 -0.761 8.641 12.890 1.00 41.34 C ATOM 1614 CG PRO A 115 0.308 8.198 13.877 1.00 22.51 C ATOM 1615 CD PRO A 115 -0.158 6.817 14.314 1.00 23.22 C ATOM 0 HA PRO A 115 -2.289 7.382 12.012 1.00 71.12 H new ATOM 0 HB2 PRO A 115 -0.359 9.337 12.153 1.00 41.34 H new ATOM 0 HB3 PRO A 115 -1.583 9.150 13.394 1.00 41.34 H new ATOM 0 HG2 PRO A 115 1.293 8.160 13.411 1.00 22.51 H new ATOM 0 HG3 PRO A 115 0.382 8.882 14.722 1.00 22.51 H new ATOM 0 HD2 PRO A 115 0.691 6.172 14.538 1.00 23.22 H new ATOM 0 HD3 PRO A 115 -0.760 6.878 15.220 1.00 23.22 H new ATOM 1623 N PHE A 116 0.672 6.615 10.896 1.00 53.42 N ATOM 1624 CA PHE A 116 1.431 6.326 9.691 1.00 1.04 C ATOM 1625 C PHE A 116 0.639 5.368 8.797 1.00 53.34 C ATOM 1626 O PHE A 116 0.625 5.504 7.582 1.00 74.42 O ATOM 1627 CB PHE A 116 2.772 5.731 10.124 1.00 23.10 C ATOM 1628 CG PHE A 116 3.727 5.403 9.005 1.00 52.13 C ATOM 1629 CD1 PHE A 116 4.144 4.073 8.802 1.00 74.01 C ATOM 1630 CD2 PHE A 116 4.229 6.436 8.193 1.00 32.00 C ATOM 1631 CE1 PHE A 116 5.086 3.785 7.803 1.00 1.12 C ATOM 1632 CE2 PHE A 116 5.173 6.147 7.198 1.00 0.20 C ATOM 1633 CZ PHE A 116 5.603 4.823 7.012 1.00 54.31 C ATOM 0 H PHE A 116 1.179 6.401 11.755 1.00 53.42 H new ATOM 0 HA PHE A 116 1.611 7.228 9.107 1.00 1.04 H new ATOM 0 HB2 PHE A 116 3.260 6.433 10.801 1.00 23.10 H new ATOM 0 HB3 PHE A 116 2.580 4.821 10.693 1.00 23.10 H new ATOM 0 HD1 PHE A 116 3.741 3.279 9.412 1.00 74.01 H new ATOM 0 HD2 PHE A 116 3.888 7.451 8.336 1.00 32.00 H new ATOM 0 HE1 PHE A 116 5.412 2.768 7.643 1.00 1.12 H new ATOM 0 HE2 PHE A 116 5.568 6.938 6.578 1.00 0.20 H new ATOM 0 HZ PHE A 116 6.339 4.601 6.253 1.00 54.31 H new ATOM 1643 N ILE A 117 0.000 4.373 9.409 1.00 42.32 N ATOM 1644 CA ILE A 117 -0.828 3.379 8.750 1.00 63.32 C ATOM 1645 C ILE A 117 -2.177 4.003 8.374 1.00 13.30 C ATOM 1646 O ILE A 117 -2.680 3.797 7.273 1.00 41.32 O ATOM 1647 CB ILE A 117 -0.943 2.185 9.722 1.00 3.22 C ATOM 1648 CG1 ILE A 117 0.411 1.439 9.711 1.00 14.45 C ATOM 1649 CG2 ILE A 117 -2.113 1.253 9.381 1.00 65.35 C ATOM 1650 CD1 ILE A 117 0.584 0.515 10.912 1.00 3.41 C ATOM 0 H ILE A 117 0.050 4.236 10.419 1.00 42.32 H new ATOM 0 HA ILE A 117 -0.399 3.023 7.813 1.00 63.32 H new ATOM 0 HB ILE A 117 -1.162 2.554 10.724 1.00 3.22 H new ATOM 0 HG12 ILE A 117 0.492 0.855 8.794 1.00 14.45 H new ATOM 0 HG13 ILE A 117 1.222 2.167 9.698 1.00 14.45 H new ATOM 0 HG21 ILE A 117 -2.145 0.432 10.097 1.00 65.35 H new ATOM 0 HG22 ILE A 117 -3.048 1.811 9.427 1.00 65.35 H new ATOM 0 HG23 ILE A 117 -1.978 0.853 8.376 1.00 65.35 H new ATOM 0 HD11 ILE A 117 1.552 0.018 10.852 1.00 3.41 H new ATOM 0 HD12 ILE A 117 0.533 1.099 11.831 1.00 3.41 H new ATOM 0 HD13 ILE A 117 -0.209 -0.233 10.913 1.00 3.41 H new ATOM 1662 N ASN A 118 -2.767 4.780 9.285 1.00 32.30 N ATOM 1663 CA ASN A 118 -4.056 5.431 9.086 1.00 3.22 C ATOM 1664 C ASN A 118 -4.061 6.337 7.857 1.00 44.31 C ATOM 1665 O ASN A 118 -5.072 6.402 7.155 1.00 23.33 O ATOM 1666 CB ASN A 118 -4.419 6.247 10.327 1.00 71.14 C ATOM 1667 CG ASN A 118 -5.846 6.754 10.242 1.00 30.12 C ATOM 1668 OD1 ASN A 118 -6.776 6.040 10.601 1.00 1.43 O ATOM 1669 ND2 ASN A 118 -6.054 7.999 9.843 1.00 23.52 N ATOM 0 H ASN A 118 -2.352 4.975 10.196 1.00 32.30 H new ATOM 0 HA ASN A 118 -4.796 4.648 8.921 1.00 3.22 H new ATOM 0 HB2 ASN A 118 -4.300 5.632 11.219 1.00 71.14 H new ATOM 0 HB3 ASN A 118 -3.735 7.090 10.426 1.00 71.14 H new ATOM 0 HD21 ASN A 118 -7.000 8.379 9.831 1.00 23.52 H new ATOM 0 HD22 ASN A 118 -5.268 8.578 9.548 1.00 23.52 H new ATOM 1676 N GLU A 119 -2.943 7.018 7.587 1.00 72.25 N ATOM 1677 CA GLU A 119 -2.790 7.920 6.451 1.00 75.13 C ATOM 1678 C GLU A 119 -3.056 7.197 5.124 1.00 62.33 C ATOM 1679 O GLU A 119 -3.577 7.815 4.197 1.00 21.35 O ATOM 1680 CB GLU A 119 -1.400 8.588 6.486 1.00 43.10 C ATOM 1681 CG GLU A 119 -0.325 7.849 5.658 1.00 11.30 C ATOM 1682 CD GLU A 119 1.119 8.282 5.949 1.00 24.01 C ATOM 1683 OE1 GLU A 119 1.326 9.368 6.541 1.00 2.23 O ATOM 1684 OE2 GLU A 119 2.056 7.617 5.456 1.00 22.23 O ATOM 0 H GLU A 119 -2.105 6.954 8.166 1.00 72.25 H new ATOM 0 HA GLU A 119 -3.538 8.709 6.527 1.00 75.13 H new ATOM 0 HB2 GLU A 119 -1.490 9.609 6.116 1.00 43.10 H new ATOM 0 HB3 GLU A 119 -1.065 8.652 7.521 1.00 43.10 H new ATOM 0 HG2 GLU A 119 -0.414 6.779 5.845 1.00 11.30 H new ATOM 0 HG3 GLU A 119 -0.530 8.005 4.599 1.00 11.30 H new ATOM 1691 N ILE A 120 -2.713 5.906 5.040 1.00 25.24 N ATOM 1692 CA ILE A 120 -2.895 5.068 3.868 1.00 34.24 C ATOM 1693 C ILE A 120 -4.395 4.856 3.706 1.00 72.41 C ATOM 1694 O ILE A 120 -4.945 5.126 2.637 1.00 32.50 O ATOM 1695 CB ILE A 120 -2.114 3.740 4.040 1.00 15.04 C ATOM 1696 CG1 ILE A 120 -0.592 3.940 4.222 1.00 0.35 C ATOM 1697 CG2 ILE A 120 -2.368 2.765 2.888 1.00 20.43 C ATOM 1698 CD1 ILE A 120 0.110 4.568 3.010 1.00 30.12 C ATOM 0 H ILE A 120 -2.286 5.406 5.820 1.00 25.24 H new ATOM 0 HA ILE A 120 -2.500 5.534 2.965 1.00 34.24 H new ATOM 0 HB ILE A 120 -2.503 3.309 4.962 1.00 15.04 H new ATOM 0 HG12 ILE A 120 -0.422 4.572 5.094 1.00 0.35 H new ATOM 0 HG13 ILE A 120 -0.133 2.974 4.433 1.00 0.35 H new ATOM 0 HG21 ILE A 120 -1.799 1.850 3.054 1.00 20.43 H new ATOM 0 HG22 ILE A 120 -3.431 2.528 2.840 1.00 20.43 H new ATOM 0 HG23 ILE A 120 -2.055 3.222 1.949 1.00 20.43 H new ATOM 0 HD11 ILE A 120 1.174 4.674 3.220 1.00 30.12 H new ATOM 0 HD12 ILE A 120 -0.026 3.927 2.139 1.00 30.12 H new ATOM 0 HD13 ILE A 120 -0.319 5.550 2.809 1.00 30.12 H new ATOM 1710 N THR A 121 -5.075 4.420 4.770 1.00 3.21 N ATOM 1711 CA THR A 121 -6.517 4.197 4.703 1.00 70.41 C ATOM 1712 C THR A 121 -7.279 5.485 4.378 1.00 30.33 C ATOM 1713 O THR A 121 -8.345 5.427 3.764 1.00 54.23 O ATOM 1714 CB THR A 121 -7.033 3.477 5.952 1.00 31.01 C ATOM 1715 OG1 THR A 121 -6.533 4.005 7.170 1.00 50.45 O ATOM 1716 CG2 THR A 121 -6.590 2.015 5.887 1.00 72.24 C ATOM 0 H THR A 121 -4.654 4.217 5.677 1.00 3.21 H new ATOM 0 HA THR A 121 -6.713 3.524 3.868 1.00 70.41 H new ATOM 0 HB THR A 121 -8.116 3.603 5.952 1.00 31.01 H new ATOM 0 HG1 THR A 121 -6.104 4.870 7.000 1.00 50.45 H new ATOM 0 HG21 THR A 121 -6.949 1.486 6.770 1.00 72.24 H new ATOM 0 HG22 THR A 121 -7.003 1.549 4.992 1.00 72.24 H new ATOM 0 HG23 THR A 121 -5.502 1.966 5.853 1.00 72.24 H new ATOM 1724 N GLN A 122 -6.731 6.642 4.762 1.00 53.34 N ATOM 1725 CA GLN A 122 -7.341 7.931 4.482 1.00 41.53 C ATOM 1726 C GLN A 122 -7.392 8.128 2.965 1.00 60.21 C ATOM 1727 O GLN A 122 -8.429 8.574 2.475 1.00 22.53 O ATOM 1728 CB GLN A 122 -6.584 9.055 5.198 1.00 14.24 C ATOM 1729 CG GLN A 122 -7.051 9.194 6.653 1.00 23.15 C ATOM 1730 CD GLN A 122 -8.396 9.905 6.755 1.00 12.02 C ATOM 1731 OE1 GLN A 122 -9.391 9.346 7.225 1.00 23.14 O ATOM 1732 NE2 GLN A 122 -8.455 11.156 6.334 1.00 32.00 N ATOM 0 H GLN A 122 -5.852 6.704 5.275 1.00 53.34 H new ATOM 0 HA GLN A 122 -8.361 7.960 4.866 1.00 41.53 H new ATOM 0 HB2 GLN A 122 -5.514 8.850 5.174 1.00 14.24 H new ATOM 0 HB3 GLN A 122 -6.740 9.996 4.671 1.00 14.24 H new ATOM 0 HG2 GLN A 122 -7.128 8.205 7.105 1.00 23.15 H new ATOM 0 HG3 GLN A 122 -6.304 9.747 7.222 1.00 23.15 H new ATOM 0 HE21 GLN A 122 -7.624 11.604 5.948 1.00 32.00 H new ATOM 0 HE22 GLN A 122 -9.332 11.674 6.395 1.00 32.00 H new ATOM 1741 N LEU A 123 -6.331 7.770 2.220 1.00 23.32 N ATOM 1742 CA LEU A 123 -6.336 7.898 0.760 1.00 21.02 C ATOM 1743 C LEU A 123 -7.466 7.023 0.224 1.00 15.35 C ATOM 1744 O LEU A 123 -8.256 7.498 -0.586 1.00 4.11 O ATOM 1745 CB LEU A 123 -5.024 7.434 0.086 1.00 13.31 C ATOM 1746 CG LEU A 123 -3.855 8.418 -0.081 1.00 70.12 C ATOM 1747 CD1 LEU A 123 -4.281 9.730 -0.737 1.00 41.30 C ATOM 1748 CD2 LEU A 123 -3.170 8.697 1.250 1.00 74.25 C ATOM 0 H LEU A 123 -5.466 7.392 2.606 1.00 23.32 H new ATOM 0 HA LEU A 123 -6.459 8.956 0.530 1.00 21.02 H new ATOM 0 HB2 LEU A 123 -4.651 6.582 0.655 1.00 13.31 H new ATOM 0 HB3 LEU A 123 -5.282 7.066 -0.907 1.00 13.31 H new ATOM 0 HG LEU A 123 -3.143 7.933 -0.749 1.00 70.12 H new ATOM 0 HD11 LEU A 123 -3.417 10.388 -0.830 1.00 41.30 H new ATOM 0 HD12 LEU A 123 -4.690 9.526 -1.726 1.00 41.30 H new ATOM 0 HD13 LEU A 123 -5.040 10.214 -0.123 1.00 41.30 H new ATOM 0 HD21 LEU A 123 -2.348 9.396 1.097 1.00 74.25 H new ATOM 0 HD22 LEU A 123 -3.889 9.129 1.946 1.00 74.25 H new ATOM 0 HD23 LEU A 123 -2.782 7.765 1.662 1.00 74.25 H new ATOM 1760 N VAL A 124 -7.565 5.769 0.688 1.00 5.52 N ATOM 1761 CA VAL A 124 -8.602 4.844 0.241 1.00 24.02 C ATOM 1762 C VAL A 124 -9.987 5.470 0.449 1.00 75.12 C ATOM 1763 O VAL A 124 -10.784 5.515 -0.489 1.00 32.51 O ATOM 1764 CB VAL A 124 -8.514 3.481 0.963 1.00 63.03 C ATOM 1765 CG1 VAL A 124 -9.425 2.434 0.304 1.00 21.50 C ATOM 1766 CG2 VAL A 124 -7.111 2.859 1.016 1.00 32.45 C ATOM 0 H VAL A 124 -6.929 5.374 1.381 1.00 5.52 H new ATOM 0 HA VAL A 124 -8.444 4.658 -0.821 1.00 24.02 H new ATOM 0 HB VAL A 124 -8.825 3.722 1.979 1.00 63.03 H new ATOM 0 HG11 VAL A 124 -9.337 1.488 0.838 1.00 21.50 H new ATOM 0 HG12 VAL A 124 -10.459 2.777 0.340 1.00 21.50 H new ATOM 0 HG13 VAL A 124 -9.126 2.293 -0.735 1.00 21.50 H new ATOM 0 HG21 VAL A 124 -7.155 1.906 1.543 1.00 32.45 H new ATOM 0 HG22 VAL A 124 -6.746 2.697 0.002 1.00 32.45 H new ATOM 0 HG23 VAL A 124 -6.434 3.533 1.541 1.00 32.45 H new ATOM 1776 N SER A 125 -10.282 5.968 1.655 1.00 24.43 N ATOM 1777 CA SER A 125 -11.573 6.568 1.952 1.00 22.13 C ATOM 1778 C SER A 125 -11.811 7.825 1.117 1.00 52.42 C ATOM 1779 O SER A 125 -12.931 8.046 0.657 1.00 32.12 O ATOM 1780 CB SER A 125 -11.698 6.862 3.449 1.00 61.24 C ATOM 1781 OG SER A 125 -13.068 7.014 3.758 1.00 54.03 O ATOM 0 H SER A 125 -9.633 5.964 2.442 1.00 24.43 H new ATOM 0 HA SER A 125 -12.348 5.851 1.681 1.00 22.13 H new ATOM 0 HB2 SER A 125 -11.265 6.050 4.033 1.00 61.24 H new ATOM 0 HB3 SER A 125 -11.148 7.768 3.705 1.00 61.24 H new ATOM 0 HG SER A 125 -13.169 7.202 4.715 1.00 54.03 H new ATOM 1787 N MET A 126 -10.800 8.672 0.920 1.00 21.31 N ATOM 1788 CA MET A 126 -10.939 9.881 0.122 1.00 64.43 C ATOM 1789 C MET A 126 -11.289 9.487 -1.313 1.00 44.00 C ATOM 1790 O MET A 126 -12.172 10.098 -1.916 1.00 71.23 O ATOM 1791 CB MET A 126 -9.645 10.701 0.189 1.00 61.32 C ATOM 1792 CG MET A 126 -9.703 11.922 -0.738 1.00 11.12 C ATOM 1793 SD MET A 126 -8.287 13.043 -0.628 1.00 21.42 S ATOM 1794 CE MET A 126 -6.954 11.919 -1.109 1.00 42.04 C ATOM 0 H MET A 126 -9.867 8.536 1.309 1.00 21.31 H new ATOM 0 HA MET A 126 -11.741 10.506 0.513 1.00 64.43 H new ATOM 0 HB2 MET A 126 -9.474 11.029 1.214 1.00 61.32 H new ATOM 0 HB3 MET A 126 -8.800 10.072 -0.089 1.00 61.32 H new ATOM 0 HG2 MET A 126 -9.790 11.573 -1.767 1.00 11.12 H new ATOM 0 HG3 MET A 126 -10.609 12.485 -0.515 1.00 11.12 H new ATOM 0 HE1 MET A 126 -6.007 12.458 -1.111 1.00 42.04 H new ATOM 0 HE2 MET A 126 -6.901 11.093 -0.399 1.00 42.04 H new ATOM 0 HE3 MET A 126 -7.151 11.528 -2.107 1.00 42.04 H new ATOM 1804 N PHE A 127 -10.616 8.477 -1.871 1.00 73.42 N ATOM 1805 CA PHE A 127 -10.890 8.030 -3.229 1.00 61.20 C ATOM 1806 C PHE A 127 -12.293 7.436 -3.307 1.00 24.04 C ATOM 1807 O PHE A 127 -13.025 7.705 -4.257 1.00 25.31 O ATOM 1808 CB PHE A 127 -9.827 7.040 -3.699 1.00 30.54 C ATOM 1809 CG PHE A 127 -8.676 7.712 -4.412 1.00 14.54 C ATOM 1810 CD1 PHE A 127 -7.806 8.578 -3.720 1.00 32.11 C ATOM 1811 CD2 PHE A 127 -8.497 7.494 -5.788 1.00 52.11 C ATOM 1812 CE1 PHE A 127 -6.756 9.213 -4.401 1.00 11.32 C ATOM 1813 CE2 PHE A 127 -7.450 8.133 -6.464 1.00 33.12 C ATOM 1814 CZ PHE A 127 -6.581 8.994 -5.776 1.00 74.23 C ATOM 0 H PHE A 127 -9.877 7.956 -1.398 1.00 73.42 H new ATOM 0 HA PHE A 127 -10.849 8.887 -3.902 1.00 61.20 H new ATOM 0 HB2 PHE A 127 -9.444 6.489 -2.840 1.00 30.54 H new ATOM 0 HB3 PHE A 127 -10.286 6.311 -4.366 1.00 30.54 H new ATOM 0 HD1 PHE A 127 -7.948 8.753 -2.664 1.00 32.11 H new ATOM 0 HD2 PHE A 127 -9.165 6.835 -6.323 1.00 52.11 H new ATOM 0 HE1 PHE A 127 -6.084 9.869 -3.868 1.00 11.32 H new ATOM 0 HE2 PHE A 127 -7.310 7.962 -7.521 1.00 33.12 H new ATOM 0 HZ PHE A 127 -5.779 9.487 -6.304 1.00 74.23 H new ATOM 1824 N ALA A 128 -12.706 6.693 -2.283 1.00 3.54 N ATOM 1825 CA ALA A 128 -14.023 6.092 -2.234 1.00 21.44 C ATOM 1826 C ALA A 128 -15.144 7.133 -2.173 1.00 41.04 C ATOM 1827 O ALA A 128 -16.299 6.765 -2.382 1.00 22.33 O ATOM 1828 CB ALA A 128 -14.120 5.232 -0.981 1.00 33.03 C ATOM 0 H ALA A 128 -12.130 6.494 -1.465 1.00 3.54 H new ATOM 0 HA ALA A 128 -14.148 5.509 -3.146 1.00 21.44 H new ATOM 0 HB1 ALA A 128 -15.107 4.773 -0.931 1.00 33.03 H new ATOM 0 HB2 ALA A 128 -13.358 4.453 -1.015 1.00 33.03 H new ATOM 0 HB3 ALA A 128 -13.964 5.854 -0.100 1.00 33.03 H new ATOM 1834 N GLN A 129 -14.846 8.392 -1.835 1.00 2.14 N ATOM 1835 CA GLN A 129 -15.826 9.458 -1.735 1.00 44.30 C ATOM 1836 C GLN A 129 -15.720 10.447 -2.902 1.00 73.24 C ATOM 1837 O GLN A 129 -16.703 10.669 -3.610 1.00 63.11 O ATOM 1838 CB GLN A 129 -15.644 10.205 -0.408 1.00 62.30 C ATOM 1839 CG GLN A 129 -15.949 9.346 0.822 1.00 40.44 C ATOM 1840 CD GLN A 129 -15.503 10.065 2.092 1.00 10.32 C ATOM 1841 OE1 GLN A 129 -16.254 10.802 2.730 1.00 3.44 O ATOM 1842 NE2 GLN A 129 -14.251 9.882 2.474 1.00 43.14 N ATOM 0 H GLN A 129 -13.896 8.696 -1.621 1.00 2.14 H new ATOM 0 HA GLN A 129 -16.815 9.002 -1.775 1.00 44.30 H new ATOM 0 HB2 GLN A 129 -14.619 10.569 -0.342 1.00 62.30 H new ATOM 0 HB3 GLN A 129 -16.294 11.080 -0.401 1.00 62.30 H new ATOM 0 HG2 GLN A 129 -17.017 9.135 0.871 1.00 40.44 H new ATOM 0 HG3 GLN A 129 -15.438 8.387 0.740 1.00 40.44 H new ATOM 0 HE21 GLN A 129 -13.638 9.269 1.937 1.00 43.14 H new ATOM 0 HE22 GLN A 129 -13.897 10.354 3.306 1.00 43.14 H new ATOM 1851 N ALA A 130 -14.551 11.069 -3.082 1.00 70.01 N ATOM 1852 CA ALA A 130 -14.273 12.060 -4.117 1.00 31.23 C ATOM 1853 C ALA A 130 -13.734 11.468 -5.421 1.00 13.33 C ATOM 1854 O ALA A 130 -14.036 12.015 -6.484 1.00 65.54 O ATOM 1855 CB ALA A 130 -13.258 13.057 -3.558 1.00 21.31 C ATOM 0 H ALA A 130 -13.744 10.887 -2.486 1.00 70.01 H new ATOM 0 HA ALA A 130 -15.220 12.535 -4.372 1.00 31.23 H new ATOM 0 HB1 ALA A 130 -13.033 13.810 -4.314 1.00 21.31 H new ATOM 0 HB2 ALA A 130 -13.673 13.542 -2.675 1.00 21.31 H new ATOM 0 HB3 ALA A 130 -12.343 12.531 -3.286 1.00 21.31 H new ATOM 1861 N GLY A 131 -12.924 10.410 -5.330 1.00 31.41 N ATOM 1862 CA GLY A 131 -12.309 9.693 -6.445 1.00 30.12 C ATOM 1863 C GLY A 131 -11.777 10.608 -7.544 1.00 4.42 C ATOM 1864 O GLY A 131 -11.134 11.624 -7.259 1.00 11.11 O ATOM 0 H GLY A 131 -12.667 10.011 -4.427 1.00 31.41 H new ATOM 0 HA2 GLY A 131 -11.490 9.082 -6.065 1.00 30.12 H new ATOM 0 HA3 GLY A 131 -13.042 9.011 -6.876 1.00 30.12 H new ATOM 1868 N MET A 132 -12.003 10.165 -8.779 1.00 2.40 N ATOM 1869 CA MET A 132 -11.693 10.722 -10.095 1.00 62.21 C ATOM 1870 C MET A 132 -10.517 11.701 -10.148 1.00 34.54 C ATOM 1871 O MET A 132 -10.633 12.861 -10.542 1.00 41.20 O ATOM 1872 CB MET A 132 -12.976 11.251 -10.755 1.00 62.14 C ATOM 1873 CG MET A 132 -14.000 10.119 -10.943 1.00 13.14 C ATOM 1874 SD MET A 132 -14.982 9.675 -9.470 1.00 54.41 S ATOM 1875 CE MET A 132 -15.072 7.876 -9.664 1.00 64.52 C ATOM 0 H MET A 132 -12.480 9.271 -8.895 1.00 2.40 H new ATOM 0 HA MET A 132 -11.310 9.895 -10.693 1.00 62.21 H new ATOM 0 HB2 MET A 132 -13.408 12.040 -10.140 1.00 62.14 H new ATOM 0 HB3 MET A 132 -12.737 11.695 -11.721 1.00 62.14 H new ATOM 0 HG2 MET A 132 -14.686 10.406 -11.740 1.00 13.14 H new ATOM 0 HG3 MET A 132 -13.470 9.229 -11.283 1.00 13.14 H new ATOM 0 HE1 MET A 132 -15.643 7.449 -8.839 1.00 64.52 H new ATOM 0 HE2 MET A 132 -15.562 7.636 -10.607 1.00 64.52 H new ATOM 0 HE3 MET A 132 -14.065 7.459 -9.662 1.00 64.52 H new ATOM 1885 N ASN A 133 -9.367 11.219 -9.702 1.00 41.14 N ATOM 1886 CA ASN A 133 -8.085 11.903 -9.665 1.00 53.13 C ATOM 1887 C ASN A 133 -7.043 10.799 -9.586 1.00 23.50 C ATOM 1888 O ASN A 133 -7.362 9.695 -9.142 1.00 4.40 O ATOM 1889 CB ASN A 133 -7.949 12.851 -8.458 1.00 60.33 C ATOM 1890 CG ASN A 133 -7.489 12.122 -7.205 1.00 3.22 C ATOM 1891 OD1 ASN A 133 -6.318 12.193 -6.832 1.00 1.34 O ATOM 1892 ND2 ASN A 133 -8.378 11.402 -6.549 1.00 11.00 N ATOM 0 H ASN A 133 -9.302 10.272 -9.330 1.00 41.14 H new ATOM 0 HA ASN A 133 -7.967 12.535 -10.545 1.00 53.13 H new ATOM 0 HB2 ASN A 133 -7.239 13.642 -8.698 1.00 60.33 H new ATOM 0 HB3 ASN A 133 -8.908 13.332 -8.265 1.00 60.33 H new ATOM 0 HD21 ASN A 133 -8.101 10.888 -5.713 1.00 11.00 H new ATOM 0 HD22 ASN A 133 -9.343 11.359 -6.878 1.00 11.00 H new ATOM 1899 N ASP A 134 -5.809 11.058 -9.991 1.00 60.41 N ATOM 1900 CA ASP A 134 -4.764 10.045 -9.920 1.00 3.10 C ATOM 1901 C ASP A 134 -3.416 10.751 -9.908 1.00 22.10 C ATOM 1902 O ASP A 134 -3.359 11.973 -10.077 1.00 61.34 O ATOM 1903 CB ASP A 134 -4.893 9.050 -11.087 1.00 35.32 C ATOM 1904 CG ASP A 134 -4.198 7.708 -10.837 1.00 74.04 C ATOM 1905 OD1 ASP A 134 -4.411 6.780 -11.648 1.00 50.10 O ATOM 1906 OD2 ASP A 134 -3.433 7.555 -9.857 1.00 15.11 O ATOM 0 H ASP A 134 -5.507 11.955 -10.370 1.00 60.41 H new ATOM 0 HA ASP A 134 -4.861 9.459 -9.006 1.00 3.10 H new ATOM 0 HB2 ASP A 134 -5.950 8.870 -11.283 1.00 35.32 H new ATOM 0 HB3 ASP A 134 -4.475 9.503 -11.986 1.00 35.32 H new ATOM 1911 N VAL A 135 -2.334 10.026 -9.662 1.00 2.05 N ATOM 1912 CA VAL A 135 -0.996 10.582 -9.641 1.00 4.44 C ATOM 1913 C VAL A 135 -0.531 10.738 -11.094 1.00 1.21 C ATOM 1914 O VAL A 135 0.157 11.707 -11.411 1.00 1.32 O ATOM 1915 CB VAL A 135 -0.055 9.701 -8.799 1.00 30.23 C ATOM 1916 CG1 VAL A 135 1.146 10.526 -8.340 1.00 52.42 C ATOM 1917 CG2 VAL A 135 -0.719 9.113 -7.544 1.00 33.22 C ATOM 0 H VAL A 135 -2.365 9.025 -9.470 1.00 2.05 H new ATOM 0 HA VAL A 135 -0.986 11.562 -9.165 1.00 4.44 H new ATOM 0 HB VAL A 135 0.237 8.873 -9.446 1.00 30.23 H new ATOM 0 HG11 VAL A 135 1.811 9.901 -7.744 1.00 52.42 H new ATOM 0 HG12 VAL A 135 1.684 10.901 -9.211 1.00 52.42 H new ATOM 0 HG13 VAL A 135 0.801 11.366 -7.737 1.00 52.42 H new ATOM 0 HG21 VAL A 135 0.004 8.504 -7.001 1.00 33.22 H new ATOM 0 HG22 VAL A 135 -1.066 9.923 -6.902 1.00 33.22 H new ATOM 0 HG23 VAL A 135 -1.567 8.494 -7.837 1.00 33.22 H new ATOM 1927 N SER A 136 -0.881 9.800 -11.981 1.00 22.53 N ATOM 1928 CA SER A 136 -0.526 9.846 -13.394 1.00 64.22 C ATOM 1929 C SER A 136 -1.678 10.490 -14.172 1.00 42.44 C ATOM 1930 O SER A 136 -2.853 10.373 -13.807 1.00 20.53 O ATOM 1931 CB SER A 136 -0.178 8.451 -13.948 1.00 62.00 C ATOM 1932 OG SER A 136 -0.623 7.390 -13.120 1.00 53.25 O ATOM 0 H SER A 136 -1.427 8.977 -11.728 1.00 22.53 H new ATOM 0 HA SER A 136 0.374 10.450 -13.513 1.00 64.22 H new ATOM 0 HB2 SER A 136 -0.621 8.340 -14.938 1.00 62.00 H new ATOM 0 HB3 SER A 136 0.902 8.377 -14.072 1.00 62.00 H new ATOM 0 HG SER A 136 -0.375 6.533 -13.525 1.00 53.25 H new ATOM 1938 N ALA A 137 -1.327 11.177 -15.249 1.00 63.05 N ATOM 1939 CA ALA A 137 -2.155 11.894 -16.196 1.00 74.43 C ATOM 1940 C ALA A 137 -1.278 12.049 -17.423 1.00 32.13 C ATOM 1941 O ALA A 137 -0.065 12.306 -17.230 1.00 63.53 O ATOM 1942 CB ALA A 137 -2.531 13.277 -15.655 1.00 71.34 C ATOM 0 H ALA A 137 -0.342 11.251 -15.505 1.00 63.05 H new ATOM 0 HA ALA A 137 -3.088 11.368 -16.400 1.00 74.43 H new ATOM 0 HB1 ALA A 137 -3.153 13.796 -16.384 1.00 71.34 H new ATOM 0 HB2 ALA A 137 -3.083 13.165 -14.722 1.00 71.34 H new ATOM 0 HB3 ALA A 137 -1.625 13.855 -15.474 1.00 71.34 H new TER 1948 ALA A 137