USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=39 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 X(o=0,f=0) USER MOD Set 2.1: A 22 SER OG : rot -67:sc= 1.29 USER MOD Set 2.2: A 103 ASN : amide:sc= -0.322 K(o=1.5,f=-2.3) USER MOD Set 2.3: A 107 GLN : amide:sc= 0.53 K(o=1.5,f=-2.1) USER MOD Set 3.1: A 30 MET CE :methyl -170:sc= -1.18 (180deg=-1.45) USER MOD Set 3.2: A 96 SER OG : rot -120:sc= -0.0242 USER MOD Set 4.1: A 7 THR OG1 : rot 34:sc= 0.366 USER MOD Set 4.2: A 12 ASN : amide:sc= 0 X(o=0.37,f=0.33) USER MOD Set 5.1: A 1 GLY N :NH3+ -122:sc= -0.0323 (180deg=-0.197) USER MOD Set 5.2: A 18 ASN : amide:sc= 0 X(o=-0.032,f=0.096) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0221 USER MOD Single : A 4 ASN : amide:sc= -0.0287 K(o=-0.029,f=-0.63) USER MOD Single : A 5 SER OG : rot -91:sc= 0.0296 USER MOD Single : A 6 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=-0.047) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0284 K(o=-0.028,f=-0.79) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -37:sc= 0.0421 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0704 X(o=-0.07,f=-0.0047) USER MOD Single : A 42 SER OG : rot 64:sc= 0.517 USER MOD Single : A 43 THR OG1 : rot 83:sc= 0.76 USER MOD Single : A 46 GLN : amide:sc= -0.0398 K(o=-0.04,f=-1.2) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.15 K(o=-0.15,f=-2.7!) USER MOD Single : A 51 SER OG : rot 73:sc= 1.21 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 54 SER OG : rot -53:sc= 1.35 USER MOD Single : A 58 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0452) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= -2.64 K(o=-2.6,f=0.94) USER MOD Single : A 71 MET CE :methyl 158:sc=-0.00393 (180deg=-0.306) USER MOD Single : A 75 SER OG : rot -62:sc= 0.436 USER MOD Single : A 76 SER OG : rot -140:sc= 0 USER MOD Single : A 83 SER OG : rot 76:sc= 0.615 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 172:sc= 1.43 (180deg=1.37) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00512 USER MOD Single : A 95 SER OG : rot 97:sc= 0.458 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 71:sc= 1.2 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.41) 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 -12:sc= 0.561 USER MOD Single : A 122 GLN : amide:sc= -0.077 K(o=-0.077,f=-1.1) USER MOD Single : A 126 MET CE :methyl 176:sc= -0.0121 (180deg=-0.0269) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= 0.664 K(o=0.66,f=-0.16) USER MOD Single : A 136 SER OG : rot 83:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.040 -12.469 0.207 1.00 62.03 N ATOM 2 CA GLY A 1 14.383 -12.685 0.762 1.00 4.41 C ATOM 3 C GLY A 1 14.639 -11.716 1.901 1.00 11.53 C ATOM 4 O GLY A 1 14.031 -11.875 2.960 1.00 71.14 O ATOM 0 H1 GLY A 1 12.492 -13.350 0.271 1.00 62.03 H new ATOM 0 H2 GLY A 1 12.558 -11.721 0.746 1.00 62.03 H new ATOM 0 H3 GLY A 1 13.118 -12.182 -0.790 1.00 62.03 H new ATOM 0 HA2 GLY A 1 14.477 -13.711 1.119 1.00 4.41 H new ATOM 0 HA3 GLY A 1 15.133 -12.549 -0.017 1.00 4.41 H new ATOM 8 N SER A 2 15.561 -10.759 1.735 1.00 32.44 N ATOM 9 CA SER A 2 15.907 -9.747 2.735 1.00 11.52 C ATOM 10 C SER A 2 16.480 -8.502 2.038 1.00 13.01 C ATOM 11 O SER A 2 16.739 -8.508 0.832 1.00 53.22 O ATOM 12 CB SER A 2 16.945 -10.275 3.749 1.00 42.01 C ATOM 13 OG SER A 2 16.817 -11.657 4.038 1.00 32.03 O ATOM 0 H SER A 2 16.101 -10.667 0.875 1.00 32.44 H new ATOM 0 HA SER A 2 14.995 -9.495 3.276 1.00 11.52 H new ATOM 0 HB2 SER A 2 17.946 -10.087 3.360 1.00 42.01 H new ATOM 0 HB3 SER A 2 16.852 -9.710 4.677 1.00 42.01 H new ATOM 0 HG SER A 2 17.505 -11.921 4.684 1.00 32.03 H new ATOM 19 N GLY A 3 16.726 -7.443 2.806 1.00 52.23 N ATOM 20 CA GLY A 3 17.282 -6.170 2.369 1.00 62.25 C ATOM 21 C GLY A 3 17.690 -5.340 3.587 1.00 44.41 C ATOM 22 O GLY A 3 17.592 -5.813 4.724 1.00 34.41 O ATOM 0 H GLY A 3 16.530 -7.454 3.807 1.00 52.23 H new ATOM 0 HA2 GLY A 3 18.146 -6.341 1.727 1.00 62.25 H new ATOM 0 HA3 GLY A 3 16.547 -5.626 1.776 1.00 62.25 H new ATOM 26 N ASN A 4 18.159 -4.113 3.357 1.00 1.51 N ATOM 27 CA ASN A 4 18.578 -3.191 4.412 1.00 61.20 C ATOM 28 C ASN A 4 17.372 -2.833 5.275 1.00 2.01 C ATOM 29 O ASN A 4 16.420 -2.229 4.778 1.00 62.21 O ATOM 30 CB ASN A 4 19.175 -1.898 3.834 1.00 23.44 C ATOM 31 CG ASN A 4 20.659 -1.990 3.549 1.00 13.34 C ATOM 32 OD1 ASN A 4 21.431 -2.517 4.344 1.00 34.51 O ATOM 33 ND2 ASN A 4 21.121 -1.423 2.458 1.00 62.00 N ATOM 0 H ASN A 4 18.260 -3.727 2.418 1.00 1.51 H new ATOM 0 HA ASN A 4 19.346 -3.688 5.005 1.00 61.20 H new ATOM 0 HB2 ASN A 4 18.651 -1.647 2.912 1.00 23.44 H new ATOM 0 HB3 ASN A 4 18.998 -1.081 4.534 1.00 23.44 H new ATOM 0 HD21 ASN A 4 22.124 -1.420 2.270 1.00 62.00 H new ATOM 0 HD22 ASN A 4 20.477 -0.986 1.799 1.00 62.00 H new ATOM 40 N SER A 5 17.412 -3.184 6.559 1.00 61.34 N ATOM 41 CA SER A 5 16.345 -2.916 7.517 1.00 50.24 C ATOM 42 C SER A 5 16.301 -1.449 7.961 1.00 60.13 C ATOM 43 O SER A 5 15.284 -0.989 8.480 1.00 61.13 O ATOM 44 CB SER A 5 16.542 -3.839 8.725 1.00 4.23 C ATOM 45 OG SER A 5 17.879 -3.813 9.221 1.00 4.33 O ATOM 0 H SER A 5 18.207 -3.674 6.970 1.00 61.34 H new ATOM 0 HA SER A 5 15.389 -3.113 7.033 1.00 50.24 H new ATOM 0 HB2 SER A 5 15.857 -3.543 9.520 1.00 4.23 H new ATOM 0 HB3 SER A 5 16.282 -4.860 8.444 1.00 4.23 H new ATOM 0 HG SER A 5 18.405 -4.513 8.781 1.00 4.33 H new ATOM 51 N HIS A 6 17.408 -0.717 7.802 1.00 13.32 N ATOM 52 CA HIS A 6 17.506 0.688 8.185 1.00 62.11 C ATOM 53 C HIS A 6 16.571 1.524 7.314 1.00 30.15 C ATOM 54 O HIS A 6 15.726 2.268 7.818 1.00 3.50 O ATOM 55 CB HIS A 6 18.966 1.157 8.062 1.00 44.13 C ATOM 56 CG HIS A 6 19.925 0.277 8.823 1.00 14.32 C ATOM 57 ND1 HIS A 6 21.028 -0.369 8.311 1.00 34.31 N ATOM 58 CD2 HIS A 6 19.800 -0.086 10.135 1.00 4.44 C ATOM 59 CE1 HIS A 6 21.553 -1.114 9.298 1.00 71.23 C ATOM 60 NE2 HIS A 6 20.835 -0.982 10.431 1.00 64.04 N ATOM 0 H HIS A 6 18.268 -1.090 7.400 1.00 13.32 H new ATOM 0 HA HIS A 6 17.199 0.813 9.223 1.00 62.11 H new ATOM 0 HB2 HIS A 6 19.251 1.173 7.010 1.00 44.13 H new ATOM 0 HB3 HIS A 6 19.047 2.180 8.430 1.00 44.13 H new ATOM 0 HD2 HIS A 6 19.039 0.257 10.821 1.00 4.44 H new ATOM 0 HE1 HIS A 6 22.431 -1.734 9.197 1.00 71.23 H new ATOM 0 HE2 HIS A 6 21.010 -1.442 11.324 1.00 64.04 H new ATOM 68 N THR A 7 16.736 1.383 6.004 1.00 71.20 N ATOM 69 CA THR A 7 15.989 2.068 4.972 1.00 32.42 C ATOM 70 C THR A 7 14.502 1.723 4.976 1.00 55.53 C ATOM 71 O THR A 7 14.077 0.685 5.480 1.00 40.02 O ATOM 72 CB THR A 7 16.616 1.685 3.620 1.00 53.35 C ATOM 73 OG1 THR A 7 17.032 0.333 3.591 1.00 41.31 O ATOM 74 CG2 THR A 7 17.861 2.530 3.346 1.00 4.13 C ATOM 0 H THR A 7 17.436 0.750 5.618 1.00 71.20 H new ATOM 0 HA THR A 7 16.046 3.141 5.156 1.00 32.42 H new ATOM 0 HB THR A 7 15.843 1.855 2.871 1.00 53.35 H new ATOM 0 HG1 THR A 7 16.415 -0.211 4.124 1.00 41.31 H new ATOM 0 HG21 THR A 7 18.290 2.245 2.386 1.00 4.13 H new ATOM 0 HG22 THR A 7 17.587 3.585 3.322 1.00 4.13 H new ATOM 0 HG23 THR A 7 18.594 2.364 4.135 1.00 4.13 H new ATOM 82 N THR A 8 13.716 2.618 4.386 1.00 1.02 N ATOM 83 CA THR A 8 12.277 2.491 4.227 1.00 54.22 C ATOM 84 C THR A 8 12.021 1.393 3.179 1.00 31.23 C ATOM 85 O THR A 8 12.859 1.194 2.288 1.00 51.23 O ATOM 86 CB THR A 8 11.688 3.845 3.766 1.00 0.34 C ATOM 87 OG1 THR A 8 12.672 4.717 3.218 1.00 71.44 O ATOM 88 CG2 THR A 8 11.033 4.583 4.927 1.00 52.44 C ATOM 0 H THR A 8 14.081 3.485 3.991 1.00 1.02 H new ATOM 0 HA THR A 8 11.798 2.221 5.168 1.00 54.22 H new ATOM 0 HB THR A 8 10.957 3.593 2.997 1.00 0.34 H new ATOM 0 HG1 THR A 8 12.248 5.556 2.941 1.00 71.44 H new ATOM 0 HG21 THR A 8 10.628 5.531 4.573 1.00 52.44 H new ATOM 0 HG22 THR A 8 10.227 3.974 5.337 1.00 52.44 H new ATOM 0 HG23 THR A 8 11.775 4.772 5.703 1.00 52.44 H new ATOM 96 N PRO A 9 10.865 0.710 3.204 1.00 30.43 N ATOM 97 CA PRO A 9 10.584 -0.339 2.234 1.00 45.04 C ATOM 98 C PRO A 9 10.421 0.237 0.826 1.00 31.20 C ATOM 99 O PRO A 9 10.724 -0.436 -0.151 1.00 22.42 O ATOM 100 CB PRO A 9 9.324 -1.037 2.737 1.00 74.55 C ATOM 101 CG PRO A 9 8.623 0.033 3.571 1.00 51.11 C ATOM 102 CD PRO A 9 9.781 0.827 4.167 1.00 64.43 C ATOM 0 HA PRO A 9 11.406 -1.050 2.150 1.00 45.04 H new ATOM 0 HB2 PRO A 9 8.697 -1.375 1.912 1.00 74.55 H new ATOM 0 HB3 PRO A 9 9.565 -1.916 3.335 1.00 74.55 H new ATOM 0 HG2 PRO A 9 7.977 0.662 2.958 1.00 51.11 H new ATOM 0 HG3 PRO A 9 7.996 -0.408 4.346 1.00 51.11 H new ATOM 0 HD2 PRO A 9 9.504 1.870 4.322 1.00 64.43 H new ATOM 0 HD3 PRO A 9 10.073 0.427 5.138 1.00 64.43 H new ATOM 110 N TRP A 10 9.993 1.492 0.690 1.00 24.22 N ATOM 111 CA TRP A 10 9.817 2.122 -0.609 1.00 22.34 C ATOM 112 C TRP A 10 11.175 2.524 -1.202 1.00 3.13 C ATOM 113 O TRP A 10 11.304 2.630 -2.424 1.00 54.44 O ATOM 114 CB TRP A 10 8.883 3.329 -0.453 1.00 22.12 C ATOM 115 CG TRP A 10 7.637 3.064 0.348 1.00 24.43 C ATOM 116 CD1 TRP A 10 7.493 3.250 1.682 1.00 4.51 C ATOM 117 CD2 TRP A 10 6.364 2.516 -0.108 1.00 53.20 C ATOM 118 NE1 TRP A 10 6.248 2.811 2.087 1.00 12.23 N ATOM 119 CE2 TRP A 10 5.494 2.380 1.015 1.00 15.30 C ATOM 120 CE3 TRP A 10 5.859 2.110 -1.361 1.00 0.45 C ATOM 121 CZ2 TRP A 10 4.184 1.883 0.895 1.00 23.12 C ATOM 122 CZ3 TRP A 10 4.554 1.604 -1.492 1.00 73.52 C ATOM 123 CH2 TRP A 10 3.712 1.493 -0.372 1.00 2.44 C ATOM 0 H TRP A 10 9.760 2.096 1.478 1.00 24.22 H new ATOM 0 HA TRP A 10 9.363 1.417 -1.306 1.00 22.34 H new ATOM 0 HB2 TRP A 10 9.437 4.140 0.020 1.00 22.12 H new ATOM 0 HB3 TRP A 10 8.593 3.677 -1.445 1.00 22.12 H new ATOM 0 HD1 TRP A 10 8.241 3.678 2.333 1.00 4.51 H new ATOM 0 HE1 TRP A 10 5.927 2.806 3.055 1.00 12.23 H new ATOM 0 HE3 TRP A 10 6.487 2.189 -2.236 1.00 0.45 H new ATOM 0 HZ2 TRP A 10 3.548 1.802 1.764 1.00 23.12 H new ATOM 0 HZ3 TRP A 10 4.195 1.297 -2.463 1.00 73.52 H new ATOM 0 HH2 TRP A 10 2.708 1.110 -0.483 1.00 2.44 H new ATOM 134 N THR A 11 12.209 2.736 -0.370 1.00 21.21 N ATOM 135 CA THR A 11 13.519 3.132 -0.875 1.00 24.21 C ATOM 136 C THR A 11 14.458 1.946 -1.151 1.00 21.15 C ATOM 137 O THR A 11 15.486 2.181 -1.791 1.00 14.32 O ATOM 138 CB THR A 11 14.110 4.249 0.005 1.00 51.05 C ATOM 139 OG1 THR A 11 14.916 5.111 -0.774 1.00 42.23 O ATOM 140 CG2 THR A 11 14.934 3.770 1.195 1.00 44.22 C ATOM 0 H THR A 11 12.157 2.639 0.644 1.00 21.21 H new ATOM 0 HA THR A 11 13.389 3.559 -1.869 1.00 24.21 H new ATOM 0 HB THR A 11 13.240 4.763 0.414 1.00 51.05 H new ATOM 0 HG1 THR A 11 15.285 5.818 -0.204 1.00 42.23 H new ATOM 0 HG21 THR A 11 15.305 4.631 1.751 1.00 44.22 H new ATOM 0 HG22 THR A 11 14.310 3.159 1.847 1.00 44.22 H new ATOM 0 HG23 THR A 11 15.777 3.177 0.839 1.00 44.22 H new ATOM 148 N ASN A 12 14.178 0.711 -0.700 1.00 30.34 N ATOM 149 CA ASN A 12 15.039 -0.450 -0.962 1.00 63.21 C ATOM 150 C ASN A 12 14.189 -1.564 -1.565 1.00 22.01 C ATOM 151 O ASN A 12 13.168 -1.909 -0.982 1.00 25.41 O ATOM 152 CB ASN A 12 15.743 -1.000 0.283 1.00 3.02 C ATOM 153 CG ASN A 12 17.231 -0.700 0.303 1.00 53.00 C ATOM 154 OD1 ASN A 12 18.032 -1.622 0.243 1.00 3.45 O ATOM 155 ND2 ASN A 12 17.649 0.549 0.342 1.00 3.33 N ATOM 0 H ASN A 12 13.350 0.492 -0.145 1.00 30.34 H new ATOM 0 HA ASN A 12 15.820 -0.109 -1.642 1.00 63.21 H new ATOM 0 HB2 ASN A 12 15.280 -0.575 1.173 1.00 3.02 H new ATOM 0 HB3 ASN A 12 15.595 -2.079 0.331 1.00 3.02 H new ATOM 0 HD21 ASN A 12 18.648 0.753 0.322 1.00 3.33 H new ATOM 0 HD22 ASN A 12 16.973 1.312 0.392 1.00 3.33 H new ATOM 162 N PRO A 13 14.617 -2.198 -2.664 1.00 1.11 N ATOM 163 CA PRO A 13 13.856 -3.252 -3.325 1.00 32.44 C ATOM 164 C PRO A 13 13.841 -4.560 -2.530 1.00 75.21 C ATOM 165 O PRO A 13 12.855 -5.296 -2.597 1.00 10.31 O ATOM 166 CB PRO A 13 14.514 -3.410 -4.696 1.00 71.42 C ATOM 167 CG PRO A 13 15.964 -3.030 -4.404 1.00 44.23 C ATOM 168 CD PRO A 13 15.818 -1.891 -3.411 1.00 45.21 C ATOM 0 HA PRO A 13 12.802 -2.989 -3.410 1.00 32.44 H new ATOM 0 HB2 PRO A 13 14.428 -4.429 -5.074 1.00 71.42 H new ATOM 0 HB3 PRO A 13 14.064 -2.755 -5.442 1.00 71.42 H new ATOM 0 HG2 PRO A 13 16.524 -3.865 -3.983 1.00 44.23 H new ATOM 0 HG3 PRO A 13 16.490 -2.716 -5.306 1.00 44.23 H new ATOM 0 HD2 PRO A 13 16.686 -1.826 -2.754 1.00 45.21 H new ATOM 0 HD3 PRO A 13 15.731 -0.931 -3.921 1.00 45.21 H new ATOM 176 N GLY A 14 14.894 -4.855 -1.762 1.00 24.23 N ATOM 177 CA GLY A 14 14.959 -6.070 -0.961 1.00 35.41 C ATOM 178 C GLY A 14 13.914 -5.995 0.147 1.00 2.54 C ATOM 179 O GLY A 14 13.127 -6.924 0.329 1.00 0.44 O ATOM 0 H GLY A 14 15.718 -4.259 -1.682 1.00 24.23 H new ATOM 0 HA2 GLY A 14 14.780 -6.943 -1.588 1.00 35.41 H new ATOM 0 HA3 GLY A 14 15.954 -6.184 -0.532 1.00 35.41 H new ATOM 183 N LEU A 15 13.886 -4.878 0.885 1.00 3.34 N ATOM 184 CA LEU A 15 12.920 -4.700 1.964 1.00 15.11 C ATOM 185 C LEU A 15 11.502 -4.557 1.399 1.00 3.23 C ATOM 186 O LEU A 15 10.557 -5.019 2.039 1.00 73.12 O ATOM 187 CB LEU A 15 13.296 -3.489 2.836 1.00 33.44 C ATOM 188 CG LEU A 15 12.477 -3.426 4.147 1.00 44.32 C ATOM 189 CD1 LEU A 15 12.747 -4.619 5.076 1.00 54.42 C ATOM 190 CD2 LEU A 15 12.809 -2.142 4.905 1.00 30.13 C ATOM 0 H LEU A 15 14.520 -4.090 0.752 1.00 3.34 H new ATOM 0 HA LEU A 15 12.942 -5.587 2.597 1.00 15.11 H new ATOM 0 HB2 LEU A 15 14.358 -3.534 3.077 1.00 33.44 H new ATOM 0 HB3 LEU A 15 13.137 -2.573 2.268 1.00 33.44 H new ATOM 0 HG LEU A 15 11.426 -3.452 3.858 1.00 44.32 H new ATOM 0 HD11 LEU A 15 12.145 -4.520 5.979 1.00 54.42 H new ATOM 0 HD12 LEU A 15 12.485 -5.545 4.564 1.00 54.42 H new ATOM 0 HD13 LEU A 15 13.803 -4.639 5.345 1.00 54.42 H new ATOM 0 HD21 LEU A 15 12.229 -2.104 5.827 1.00 30.13 H new ATOM 0 HD22 LEU A 15 13.872 -2.125 5.144 1.00 30.13 H new ATOM 0 HD23 LEU A 15 12.563 -1.280 4.285 1.00 30.13 H new ATOM 202 N ALA A 16 11.358 -3.969 0.201 1.00 44.02 N ATOM 203 CA ALA A 16 10.072 -3.774 -0.450 1.00 11.20 C ATOM 204 C ALA A 16 9.326 -5.093 -0.586 1.00 4.54 C ATOM 205 O ALA A 16 8.173 -5.155 -0.182 1.00 43.14 O ATOM 206 CB ALA A 16 10.230 -3.144 -1.841 1.00 23.32 C ATOM 0 H ALA A 16 12.146 -3.615 -0.341 1.00 44.02 H new ATOM 0 HA ALA A 16 9.500 -3.094 0.181 1.00 11.20 H new ATOM 0 HB1 ALA A 16 9.248 -3.014 -2.295 1.00 23.32 H new ATOM 0 HB2 ALA A 16 10.718 -2.174 -1.748 1.00 23.32 H new ATOM 0 HB3 ALA A 16 10.837 -3.796 -2.469 1.00 23.32 H new ATOM 212 N GLU A 17 9.974 -6.135 -1.113 1.00 12.32 N ATOM 213 CA GLU A 17 9.349 -7.442 -1.294 1.00 4.54 C ATOM 214 C GLU A 17 8.793 -7.965 0.033 1.00 50.41 C ATOM 215 O GLU A 17 7.646 -8.402 0.099 1.00 52.33 O ATOM 216 CB GLU A 17 10.377 -8.417 -1.889 1.00 34.01 C ATOM 217 CG GLU A 17 9.808 -9.838 -2.030 1.00 22.40 C ATOM 218 CD GLU A 17 10.851 -10.832 -2.533 1.00 35.51 C ATOM 219 OE1 GLU A 17 11.323 -10.691 -3.682 1.00 21.53 O ATOM 220 OE2 GLU A 17 11.187 -11.796 -1.798 1.00 43.21 O ATOM 0 H GLU A 17 10.944 -6.094 -1.425 1.00 12.32 H new ATOM 0 HA GLU A 17 8.510 -7.350 -1.984 1.00 4.54 H new ATOM 0 HB2 GLU A 17 10.696 -8.056 -2.867 1.00 34.01 H new ATOM 0 HB3 GLU A 17 11.263 -8.442 -1.254 1.00 34.01 H new ATOM 0 HG2 GLU A 17 9.427 -10.172 -1.065 1.00 22.40 H new ATOM 0 HG3 GLU A 17 8.963 -9.822 -2.718 1.00 22.40 H new ATOM 227 N ASN A 18 9.594 -7.915 1.101 1.00 24.03 N ATOM 228 CA ASN A 18 9.160 -8.407 2.405 1.00 64.24 C ATOM 229 C ASN A 18 7.940 -7.655 2.899 1.00 34.13 C ATOM 230 O ASN A 18 6.967 -8.279 3.317 1.00 21.21 O ATOM 231 CB ASN A 18 10.269 -8.317 3.460 1.00 45.32 C ATOM 232 CG ASN A 18 11.086 -9.595 3.475 1.00 2.33 C ATOM 233 OD1 ASN A 18 11.637 -9.983 2.450 1.00 11.04 O ATOM 234 ND2 ASN A 18 11.158 -10.284 4.595 1.00 25.53 N ATOM 0 H ASN A 18 10.542 -7.540 1.086 1.00 24.03 H new ATOM 0 HA ASN A 18 8.906 -9.457 2.263 1.00 64.24 H new ATOM 0 HB2 ASN A 18 10.916 -7.466 3.246 1.00 45.32 H new ATOM 0 HB3 ASN A 18 9.832 -8.145 4.444 1.00 45.32 H new ATOM 0 HD21 ASN A 18 11.680 -11.160 4.622 1.00 25.53 H new ATOM 0 HD22 ASN A 18 10.692 -9.942 5.435 1.00 25.53 H new ATOM 241 N PHE A 19 8.012 -6.329 2.889 1.00 15.21 N ATOM 242 CA PHE A 19 6.952 -5.441 3.333 1.00 2.11 C ATOM 243 C PHE A 19 5.665 -5.666 2.542 1.00 2.41 C ATOM 244 O PHE A 19 4.600 -5.843 3.137 1.00 11.12 O ATOM 245 CB PHE A 19 7.490 -4.018 3.194 1.00 75.44 C ATOM 246 CG PHE A 19 6.531 -2.917 3.570 1.00 13.10 C ATOM 247 CD1 PHE A 19 6.100 -2.018 2.579 1.00 74.20 C ATOM 248 CD2 PHE A 19 6.150 -2.726 4.912 1.00 14.25 C ATOM 249 CE1 PHE A 19 5.342 -0.897 2.934 1.00 54.03 C ATOM 250 CE2 PHE A 19 5.385 -1.601 5.264 1.00 55.14 C ATOM 251 CZ PHE A 19 5.002 -0.677 4.276 1.00 25.24 C ATOM 0 H PHE A 19 8.838 -5.829 2.560 1.00 15.21 H new ATOM 0 HA PHE A 19 6.681 -5.637 4.370 1.00 2.11 H new ATOM 0 HB2 PHE A 19 8.382 -3.925 3.813 1.00 75.44 H new ATOM 0 HB3 PHE A 19 7.801 -3.866 2.161 1.00 75.44 H new ATOM 0 HD1 PHE A 19 6.354 -2.193 1.544 1.00 74.20 H new ATOM 0 HD2 PHE A 19 6.444 -3.440 5.667 1.00 14.25 H new ATOM 0 HE1 PHE A 19 5.019 -0.201 2.174 1.00 54.03 H new ATOM 0 HE2 PHE A 19 5.092 -1.446 6.292 1.00 55.14 H new ATOM 0 HZ PHE A 19 4.444 0.205 4.552 1.00 25.24 H new ATOM 261 N LEU A 20 5.768 -5.680 1.213 1.00 12.14 N ATOM 262 CA LEU A 20 4.645 -5.884 0.312 1.00 24.44 C ATOM 263 C LEU A 20 4.012 -7.245 0.589 1.00 41.35 C ATOM 264 O LEU A 20 2.795 -7.307 0.770 1.00 32.45 O ATOM 265 CB LEU A 20 5.092 -5.740 -1.156 1.00 24.13 C ATOM 266 CG LEU A 20 5.083 -4.305 -1.739 1.00 5.13 C ATOM 267 CD1 LEU A 20 5.480 -3.174 -0.782 1.00 43.32 C ATOM 268 CD2 LEU A 20 6.033 -4.241 -2.938 1.00 4.42 C ATOM 0 H LEU A 20 6.655 -5.547 0.727 1.00 12.14 H new ATOM 0 HA LEU A 20 3.890 -5.117 0.488 1.00 24.44 H new ATOM 0 HB2 LEU A 20 6.102 -6.140 -1.247 1.00 24.13 H new ATOM 0 HB3 LEU A 20 4.446 -6.364 -1.773 1.00 24.13 H new ATOM 0 HG LEU A 20 4.038 -4.131 -1.995 1.00 5.13 H new ATOM 0 HD11 LEU A 20 5.435 -2.220 -1.307 1.00 43.32 H new ATOM 0 HD12 LEU A 20 4.793 -3.155 0.064 1.00 43.32 H new ATOM 0 HD13 LEU A 20 6.495 -3.342 -0.422 1.00 43.32 H new ATOM 0 HD21 LEU A 20 6.030 -3.232 -3.351 1.00 4.42 H new ATOM 0 HD22 LEU A 20 7.042 -4.498 -2.617 1.00 4.42 H new ATOM 0 HD23 LEU A 20 5.704 -4.947 -3.701 1.00 4.42 H new ATOM 280 N ASN A 21 4.814 -8.308 0.709 1.00 20.00 N ATOM 281 CA ASN A 21 4.287 -9.644 0.969 1.00 63.50 C ATOM 282 C ASN A 21 3.605 -9.691 2.329 1.00 62.21 C ATOM 283 O ASN A 21 2.553 -10.305 2.467 1.00 4.13 O ATOM 284 CB ASN A 21 5.397 -10.695 0.907 1.00 30.15 C ATOM 285 CG ASN A 21 4.870 -12.062 1.338 1.00 4.34 C ATOM 286 OD1 ASN A 21 4.074 -12.697 0.654 1.00 74.44 O ATOM 287 ND2 ASN A 21 5.306 -12.553 2.490 1.00 5.23 N ATOM 0 H ASN A 21 5.830 -8.265 0.630 1.00 20.00 H new ATOM 0 HA ASN A 21 3.554 -9.871 0.195 1.00 63.50 H new ATOM 0 HB2 ASN A 21 5.792 -10.755 -0.107 1.00 30.15 H new ATOM 0 HB3 ASN A 21 6.223 -10.398 1.553 1.00 30.15 H new ATOM 0 HD21 ASN A 21 4.980 -13.464 2.812 1.00 5.23 H new ATOM 0 HD22 ASN A 21 5.968 -12.020 3.054 1.00 5.23 H new ATOM 294 N SER A 22 4.199 -9.061 3.343 1.00 33.11 N ATOM 295 CA SER A 22 3.644 -9.019 4.687 1.00 30.31 C ATOM 296 C SER A 22 2.273 -8.347 4.682 1.00 33.21 C ATOM 297 O SER A 22 1.403 -8.749 5.461 1.00 2.33 O ATOM 298 CB SER A 22 4.637 -8.331 5.623 1.00 64.32 C ATOM 299 OG SER A 22 5.517 -9.328 6.114 1.00 42.12 O ATOM 0 H SER A 22 5.085 -8.564 3.249 1.00 33.11 H new ATOM 0 HA SER A 22 3.487 -10.032 5.057 1.00 30.31 H new ATOM 0 HB2 SER A 22 5.192 -7.557 5.092 1.00 64.32 H new ATOM 0 HB3 SER A 22 4.114 -7.842 6.445 1.00 64.32 H new ATOM 0 HG SER A 22 5.022 -9.944 6.694 1.00 42.12 H new ATOM 305 N PHE A 23 2.070 -7.347 3.821 1.00 41.34 N ATOM 306 CA PHE A 23 0.792 -6.677 3.714 1.00 14.33 C ATOM 307 C PHE A 23 -0.200 -7.670 3.135 1.00 54.14 C ATOM 308 O PHE A 23 -1.212 -7.910 3.782 1.00 33.41 O ATOM 309 CB PHE A 23 0.906 -5.401 2.884 1.00 53.33 C ATOM 310 CG PHE A 23 -0.411 -4.692 2.640 1.00 41.31 C ATOM 311 CD1 PHE A 23 -0.867 -4.505 1.323 1.00 13.55 C ATOM 312 CD2 PHE A 23 -1.187 -4.224 3.717 1.00 23.32 C ATOM 313 CE1 PHE A 23 -2.071 -3.825 1.079 1.00 65.14 C ATOM 314 CE2 PHE A 23 -2.407 -3.571 3.471 1.00 71.30 C ATOM 315 CZ PHE A 23 -2.845 -3.365 2.152 1.00 13.34 C ATOM 0 H PHE A 23 2.785 -6.989 3.188 1.00 41.34 H new ATOM 0 HA PHE A 23 0.441 -6.353 4.694 1.00 14.33 H new ATOM 0 HB2 PHE A 23 1.586 -4.714 3.388 1.00 53.33 H new ATOM 0 HB3 PHE A 23 1.356 -5.647 1.922 1.00 53.33 H new ATOM 0 HD1 PHE A 23 -0.288 -4.886 0.495 1.00 13.55 H new ATOM 0 HD2 PHE A 23 -0.845 -4.367 4.732 1.00 23.32 H new ATOM 0 HE1 PHE A 23 -2.400 -3.657 0.064 1.00 65.14 H new ATOM 0 HE2 PHE A 23 -3.010 -3.227 4.298 1.00 71.30 H new ATOM 0 HZ PHE A 23 -3.777 -2.853 1.966 1.00 13.34 H new ATOM 325 N LEU A 24 0.093 -8.282 1.978 1.00 14.33 N ATOM 326 CA LEU A 24 -0.785 -9.266 1.342 1.00 5.13 C ATOM 327 C LEU A 24 -1.140 -10.377 2.334 1.00 24.24 C ATOM 328 O LEU A 24 -2.318 -10.684 2.494 1.00 32.14 O ATOM 329 CB LEU A 24 -0.142 -9.869 0.072 1.00 2.24 C ATOM 330 CG LEU A 24 -0.395 -9.038 -1.199 1.00 60.55 C ATOM 331 CD1 LEU A 24 0.533 -7.836 -1.322 1.00 61.11 C ATOM 332 CD2 LEU A 24 -0.245 -9.896 -2.460 1.00 4.04 C ATOM 0 H LEU A 24 0.952 -8.105 1.457 1.00 14.33 H new ATOM 0 HA LEU A 24 -1.696 -8.750 1.039 1.00 5.13 H new ATOM 0 HB2 LEU A 24 0.933 -9.962 0.228 1.00 2.24 H new ATOM 0 HB3 LEU A 24 -0.530 -10.876 -0.079 1.00 2.24 H new ATOM 0 HG LEU A 24 -1.418 -8.673 -1.107 1.00 60.55 H new ATOM 0 HD11 LEU A 24 0.304 -7.292 -2.238 1.00 61.11 H new ATOM 0 HD12 LEU A 24 0.392 -7.178 -0.464 1.00 61.11 H new ATOM 0 HD13 LEU A 24 1.568 -8.177 -1.351 1.00 61.11 H new ATOM 0 HD21 LEU A 24 -0.429 -9.282 -3.342 1.00 4.04 H new ATOM 0 HD22 LEU A 24 0.765 -10.302 -2.506 1.00 4.04 H new ATOM 0 HD23 LEU A 24 -0.964 -10.715 -2.431 1.00 4.04 H new ATOM 344 N GLN A 25 -0.147 -10.945 3.027 1.00 42.05 N ATOM 345 CA GLN A 25 -0.328 -12.009 4.013 1.00 52.52 C ATOM 346 C GLN A 25 -1.310 -11.600 5.111 1.00 52.44 C ATOM 347 O GLN A 25 -2.007 -12.451 5.664 1.00 70.52 O ATOM 348 CB GLN A 25 1.027 -12.359 4.657 1.00 62.53 C ATOM 349 CG GLN A 25 1.922 -13.233 3.766 1.00 52.21 C ATOM 350 CD GLN A 25 1.418 -14.668 3.625 1.00 23.33 C ATOM 351 OE1 GLN A 25 0.460 -15.093 4.267 1.00 63.14 O ATOM 352 NE2 GLN A 25 2.065 -15.454 2.786 1.00 31.10 N ATOM 0 H GLN A 25 0.828 -10.669 2.913 1.00 42.05 H new ATOM 0 HA GLN A 25 -0.735 -12.876 3.492 1.00 52.52 H new ATOM 0 HB2 GLN A 25 1.556 -11.436 4.896 1.00 62.53 H new ATOM 0 HB3 GLN A 25 0.849 -12.877 5.599 1.00 62.53 H new ATOM 0 HG2 GLN A 25 1.990 -12.781 2.777 1.00 52.21 H new ATOM 0 HG3 GLN A 25 2.930 -13.249 4.180 1.00 52.21 H new ATOM 0 HE21 GLN A 25 2.859 -15.092 2.258 1.00 31.10 H new ATOM 0 HE22 GLN A 25 1.771 -16.423 2.666 1.00 31.10 H new ATOM 361 N GLY A 26 -1.348 -10.321 5.482 1.00 52.12 N ATOM 362 CA GLY A 26 -2.255 -9.834 6.503 1.00 11.42 C ATOM 363 C GLY A 26 -3.631 -9.567 5.901 1.00 52.13 C ATOM 364 O GLY A 26 -4.642 -10.056 6.405 1.00 3.32 O ATOM 0 H GLY A 26 -0.749 -9.600 5.080 1.00 52.12 H new ATOM 0 HA2 GLY A 26 -2.337 -10.566 7.306 1.00 11.42 H new ATOM 0 HA3 GLY A 26 -1.860 -8.919 6.945 1.00 11.42 H new ATOM 368 N LEU A 27 -3.655 -8.831 4.788 1.00 52.31 N ATOM 369 CA LEU A 27 -4.838 -8.421 4.044 1.00 42.21 C ATOM 370 C LEU A 27 -5.686 -9.595 3.557 1.00 15.25 C ATOM 371 O LEU A 27 -6.906 -9.468 3.535 1.00 0.14 O ATOM 372 CB LEU A 27 -4.435 -7.545 2.841 1.00 22.11 C ATOM 373 CG LEU A 27 -5.190 -6.212 2.678 1.00 33.45 C ATOM 374 CD1 LEU A 27 -5.007 -5.729 1.238 1.00 15.00 C ATOM 375 CD2 LEU A 27 -6.688 -6.257 3.000 1.00 4.24 C ATOM 0 H LEU A 27 -2.795 -8.487 4.360 1.00 52.31 H new ATOM 0 HA LEU A 27 -5.452 -7.850 4.741 1.00 42.21 H new ATOM 0 HB2 LEU A 27 -3.370 -7.327 2.920 1.00 22.11 H new ATOM 0 HB3 LEU A 27 -4.574 -8.129 1.932 1.00 22.11 H new ATOM 0 HG LEU A 27 -4.758 -5.532 3.413 1.00 33.45 H new ATOM 0 HD11 LEU A 27 -5.535 -4.785 1.101 1.00 15.00 H new ATOM 0 HD12 LEU A 27 -3.946 -5.584 1.035 1.00 15.00 H new ATOM 0 HD13 LEU A 27 -5.410 -6.473 0.551 1.00 15.00 H new ATOM 0 HD21 LEU A 27 -7.122 -5.268 2.853 1.00 4.24 H new ATOM 0 HD22 LEU A 27 -7.181 -6.971 2.340 1.00 4.24 H new ATOM 0 HD23 LEU A 27 -6.828 -6.564 4.036 1.00 4.24 H new ATOM 387 N SER A 28 -5.086 -10.732 3.205 1.00 12.41 N ATOM 388 CA SER A 28 -5.817 -11.898 2.720 1.00 52.24 C ATOM 389 C SER A 28 -6.787 -12.424 3.784 1.00 34.42 C ATOM 390 O SER A 28 -7.872 -12.922 3.474 1.00 4.22 O ATOM 391 CB SER A 28 -4.798 -12.971 2.328 1.00 53.42 C ATOM 392 OG SER A 28 -4.108 -13.500 3.440 1.00 43.22 O ATOM 0 H SER A 28 -4.076 -10.869 3.249 1.00 12.41 H new ATOM 0 HA SER A 28 -6.418 -11.622 1.853 1.00 52.24 H new ATOM 0 HB2 SER A 28 -5.310 -13.779 1.806 1.00 53.42 H new ATOM 0 HB3 SER A 28 -4.079 -12.545 1.629 1.00 53.42 H new ATOM 0 HG SER A 28 -3.472 -14.181 3.137 1.00 43.22 H new ATOM 398 N SER A 29 -6.392 -12.310 5.052 1.00 71.11 N ATOM 399 CA SER A 29 -7.139 -12.742 6.216 1.00 10.33 C ATOM 400 C SER A 29 -8.098 -11.646 6.709 1.00 21.31 C ATOM 401 O SER A 29 -8.900 -11.901 7.614 1.00 2.35 O ATOM 402 CB SER A 29 -6.097 -13.106 7.279 1.00 44.22 C ATOM 403 OG SER A 29 -6.635 -13.779 8.400 1.00 44.05 O ATOM 0 H SER A 29 -5.495 -11.891 5.299 1.00 71.11 H new ATOM 0 HA SER A 29 -7.772 -13.598 5.982 1.00 10.33 H new ATOM 0 HB2 SER A 29 -5.331 -13.734 6.823 1.00 44.22 H new ATOM 0 HB3 SER A 29 -5.603 -12.195 7.617 1.00 44.22 H new ATOM 0 HG SER A 29 -7.521 -13.414 8.607 1.00 44.05 H new ATOM 409 N MET A 30 -8.024 -10.439 6.149 1.00 72.00 N ATOM 410 CA MET A 30 -8.847 -9.298 6.511 1.00 1.53 C ATOM 411 C MET A 30 -10.043 -9.168 5.567 1.00 20.25 C ATOM 412 O MET A 30 -9.991 -9.637 4.436 1.00 60.45 O ATOM 413 CB MET A 30 -7.975 -8.040 6.404 1.00 11.54 C ATOM 414 CG MET A 30 -6.942 -7.980 7.529 1.00 54.11 C ATOM 415 SD MET A 30 -7.629 -7.464 9.118 1.00 31.25 S ATOM 416 CE MET A 30 -8.006 -5.732 8.774 1.00 15.33 C ATOM 0 H MET A 30 -7.362 -10.227 5.403 1.00 72.00 H new ATOM 0 HA MET A 30 -9.229 -9.427 7.524 1.00 1.53 H new ATOM 0 HB2 MET A 30 -7.466 -8.029 5.440 1.00 11.54 H new ATOM 0 HB3 MET A 30 -8.607 -7.153 6.441 1.00 11.54 H new ATOM 0 HG2 MET A 30 -6.484 -8.963 7.643 1.00 54.11 H new ATOM 0 HG3 MET A 30 -6.148 -7.289 7.245 1.00 54.11 H new ATOM 0 HE1 MET A 30 -8.270 -5.226 9.702 1.00 15.33 H new ATOM 0 HE2 MET A 30 -7.133 -5.250 8.334 1.00 15.33 H new ATOM 0 HE3 MET A 30 -8.843 -5.673 8.078 1.00 15.33 H new ATOM 426 N PRO A 31 -11.107 -8.461 5.977 1.00 72.02 N ATOM 427 CA PRO A 31 -12.288 -8.265 5.146 1.00 34.14 C ATOM 428 C PRO A 31 -12.090 -7.223 4.028 1.00 41.44 C ATOM 429 O PRO A 31 -12.971 -7.071 3.182 1.00 4.05 O ATOM 430 CB PRO A 31 -13.389 -7.850 6.121 1.00 61.02 C ATOM 431 CG PRO A 31 -12.654 -7.215 7.292 1.00 53.25 C ATOM 432 CD PRO A 31 -11.284 -7.875 7.294 1.00 30.21 C ATOM 0 HA PRO A 31 -12.533 -9.178 4.604 1.00 34.14 H new ATOM 0 HB2 PRO A 31 -14.081 -7.145 5.659 1.00 61.02 H new ATOM 0 HB3 PRO A 31 -13.977 -8.710 6.443 1.00 61.02 H new ATOM 0 HG2 PRO A 31 -12.573 -6.135 7.169 1.00 53.25 H new ATOM 0 HG3 PRO A 31 -13.179 -7.391 8.231 1.00 53.25 H new ATOM 0 HD2 PRO A 31 -10.502 -7.145 7.502 1.00 30.21 H new ATOM 0 HD3 PRO A 31 -11.222 -8.638 8.070 1.00 30.21 H new ATOM 440 N GLY A 32 -10.965 -6.496 4.006 1.00 3.23 N ATOM 441 CA GLY A 32 -10.664 -5.474 3.003 1.00 23.53 C ATOM 442 C GLY A 32 -10.593 -6.057 1.590 1.00 14.42 C ATOM 443 O GLY A 32 -11.268 -5.565 0.690 1.00 72.14 O ATOM 0 H GLY A 32 -10.226 -6.607 4.700 1.00 3.23 H new ATOM 0 HA2 GLY A 32 -11.429 -4.698 3.036 1.00 23.53 H new ATOM 0 HA3 GLY A 32 -9.715 -4.997 3.246 1.00 23.53 H new ATOM 447 N PHE A 33 -9.756 -7.074 1.397 1.00 61.41 N ATOM 448 CA PHE A 33 -9.540 -7.796 0.136 1.00 55.22 C ATOM 449 C PHE A 33 -9.800 -9.303 0.331 1.00 45.11 C ATOM 450 O PHE A 33 -10.066 -9.759 1.442 1.00 30.11 O ATOM 451 CB PHE A 33 -8.110 -7.533 -0.386 1.00 64.22 C ATOM 452 CG PHE A 33 -7.913 -6.185 -1.063 1.00 71.55 C ATOM 453 CD1 PHE A 33 -8.087 -4.972 -0.363 1.00 33.32 C ATOM 454 CD2 PHE A 33 -7.607 -6.151 -2.439 1.00 45.01 C ATOM 455 CE1 PHE A 33 -8.104 -3.762 -1.075 1.00 40.20 C ATOM 456 CE2 PHE A 33 -7.613 -4.937 -3.143 1.00 34.24 C ATOM 457 CZ PHE A 33 -7.912 -3.748 -2.464 1.00 52.20 C ATOM 0 H PHE A 33 -9.177 -7.439 2.153 1.00 61.41 H new ATOM 0 HA PHE A 33 -10.245 -7.431 -0.611 1.00 55.22 H new ATOM 0 HB2 PHE A 33 -7.414 -7.609 0.450 1.00 64.22 H new ATOM 0 HB3 PHE A 33 -7.846 -8.320 -1.093 1.00 64.22 H new ATOM 0 HD1 PHE A 33 -8.206 -4.974 0.710 1.00 33.32 H new ATOM 0 HD2 PHE A 33 -7.366 -7.068 -2.956 1.00 45.01 H new ATOM 0 HE1 PHE A 33 -8.266 -2.833 -0.548 1.00 40.20 H new ATOM 0 HE2 PHE A 33 -7.389 -4.919 -4.199 1.00 34.24 H new ATOM 0 HZ PHE A 33 -7.995 -2.820 -3.011 1.00 52.20 H new ATOM 467 N THR A 34 -9.742 -10.079 -0.754 1.00 11.21 N ATOM 468 CA THR A 34 -9.925 -11.529 -0.783 1.00 33.14 C ATOM 469 C THR A 34 -8.722 -12.119 -1.525 1.00 44.15 C ATOM 470 O THR A 34 -7.994 -11.377 -2.197 1.00 10.10 O ATOM 471 CB THR A 34 -11.240 -11.912 -1.493 1.00 22.51 C ATOM 472 OG1 THR A 34 -11.196 -11.463 -2.833 1.00 35.23 O ATOM 473 CG2 THR A 34 -12.490 -11.351 -0.816 1.00 3.51 C ATOM 0 H THR A 34 -9.557 -9.693 -1.680 1.00 11.21 H new ATOM 0 HA THR A 34 -9.989 -11.922 0.232 1.00 33.14 H new ATOM 0 HB THR A 34 -11.316 -12.998 -1.441 1.00 22.51 H new ATOM 0 HG1 THR A 34 -12.030 -11.707 -3.287 1.00 35.23 H new ATOM 0 HG21 THR A 34 -13.375 -11.662 -1.371 1.00 3.51 H new ATOM 0 HG22 THR A 34 -12.551 -11.728 0.205 1.00 3.51 H new ATOM 0 HG23 THR A 34 -12.437 -10.262 -0.798 1.00 3.51 H new ATOM 481 N ALA A 35 -8.526 -13.440 -1.464 1.00 75.02 N ATOM 482 CA ALA A 35 -7.420 -14.104 -2.149 1.00 3.23 C ATOM 483 C ALA A 35 -7.454 -13.833 -3.660 1.00 21.41 C ATOM 484 O ALA A 35 -6.394 -13.720 -4.273 1.00 24.22 O ATOM 485 CB ALA A 35 -7.471 -15.606 -1.872 1.00 75.24 C ATOM 0 H ALA A 35 -9.129 -14.074 -0.940 1.00 75.02 H new ATOM 0 HA ALA A 35 -6.484 -13.699 -1.765 1.00 3.23 H new ATOM 0 HB1 ALA A 35 -6.645 -16.099 -2.384 1.00 75.24 H new ATOM 0 HB2 ALA A 35 -7.389 -15.781 -0.799 1.00 75.24 H new ATOM 0 HB3 ALA A 35 -8.416 -16.011 -2.235 1.00 75.24 H new ATOM 491 N SER A 36 -8.651 -13.720 -4.246 1.00 73.30 N ATOM 492 CA SER A 36 -8.836 -13.447 -5.665 1.00 21.52 C ATOM 493 C SER A 36 -8.229 -12.077 -5.977 1.00 15.41 C ATOM 494 O SER A 36 -7.323 -11.980 -6.798 1.00 31.42 O ATOM 495 CB SER A 36 -10.337 -13.504 -5.995 1.00 61.55 C ATOM 496 OG SER A 36 -10.599 -13.446 -7.384 1.00 71.33 O ATOM 0 H SER A 36 -9.528 -13.818 -3.735 1.00 73.30 H new ATOM 0 HA SER A 36 -8.334 -14.192 -6.282 1.00 21.52 H new ATOM 0 HB2 SER A 36 -10.758 -14.424 -5.589 1.00 61.55 H new ATOM 0 HB3 SER A 36 -10.844 -12.676 -5.500 1.00 61.55 H new ATOM 0 HG SER A 36 -11.566 -13.488 -7.536 1.00 71.33 H new ATOM 502 N GLN A 37 -8.676 -11.022 -5.275 1.00 22.22 N ATOM 503 CA GLN A 37 -8.168 -9.673 -5.507 1.00 71.55 C ATOM 504 C GLN A 37 -6.658 -9.591 -5.243 1.00 52.43 C ATOM 505 O GLN A 37 -5.960 -8.825 -5.905 1.00 13.24 O ATOM 506 CB GLN A 37 -8.895 -8.639 -4.636 1.00 1.44 C ATOM 507 CG GLN A 37 -10.430 -8.612 -4.686 1.00 32.21 C ATOM 508 CD GLN A 37 -11.060 -8.703 -6.073 1.00 60.51 C ATOM 509 OE1 GLN A 37 -11.932 -9.543 -6.297 1.00 43.44 O ATOM 510 NE2 GLN A 37 -10.681 -7.844 -6.999 1.00 72.53 N ATOM 0 H GLN A 37 -9.386 -11.084 -4.546 1.00 22.22 H new ATOM 0 HA GLN A 37 -8.357 -9.443 -6.556 1.00 71.55 H new ATOM 0 HB2 GLN A 37 -8.597 -8.804 -3.601 1.00 1.44 H new ATOM 0 HB3 GLN A 37 -8.533 -7.650 -4.918 1.00 1.44 H new ATOM 0 HG2 GLN A 37 -10.807 -9.438 -4.083 1.00 32.21 H new ATOM 0 HG3 GLN A 37 -10.772 -7.691 -4.214 1.00 32.21 H new ATOM 0 HE21 GLN A 37 -9.957 -7.157 -6.791 1.00 72.53 H new ATOM 0 HE22 GLN A 37 -11.112 -7.867 -7.923 1.00 72.53 H new ATOM 519 N LEU A 38 -6.139 -10.332 -4.256 1.00 34.41 N ATOM 520 CA LEU A 38 -4.713 -10.305 -3.967 1.00 4.44 C ATOM 521 C LEU A 38 -3.861 -10.873 -5.095 1.00 52.22 C ATOM 522 O LEU A 38 -2.681 -10.532 -5.156 1.00 51.41 O ATOM 523 CB LEU A 38 -4.387 -11.036 -2.673 1.00 24.20 C ATOM 524 CG LEU A 38 -4.866 -10.313 -1.406 1.00 4.01 C ATOM 525 CD1 LEU A 38 -4.032 -10.872 -0.275 1.00 1.54 C ATOM 526 CD2 LEU A 38 -4.704 -8.789 -1.383 1.00 2.41 C ATOM 0 H LEU A 38 -6.684 -10.949 -3.654 1.00 34.41 H new ATOM 0 HA LEU A 38 -4.463 -9.249 -3.860 1.00 4.44 H new ATOM 0 HB2 LEU A 38 -4.838 -12.028 -2.705 1.00 24.20 H new ATOM 0 HB3 LEU A 38 -3.308 -11.179 -2.611 1.00 24.20 H new ATOM 0 HG LEU A 38 -5.940 -10.483 -1.337 1.00 4.01 H new ATOM 0 HD11 LEU A 38 -4.324 -10.397 0.662 1.00 1.54 H new ATOM 0 HD12 LEU A 38 -4.193 -11.948 -0.202 1.00 1.54 H new ATOM 0 HD13 LEU A 38 -2.978 -10.675 -0.469 1.00 1.54 H new ATOM 0 HD21 LEU A 38 -5.078 -8.398 -0.437 1.00 2.41 H new ATOM 0 HD22 LEU A 38 -3.650 -8.534 -1.490 1.00 2.41 H new ATOM 0 HD23 LEU A 38 -5.269 -8.351 -2.206 1.00 2.41 H new ATOM 538 N ASP A 39 -4.411 -11.741 -5.948 1.00 13.25 N ATOM 539 CA ASP A 39 -3.656 -12.320 -7.052 1.00 15.03 C ATOM 540 C ASP A 39 -3.237 -11.233 -8.035 1.00 31.33 C ATOM 541 O ASP A 39 -2.118 -11.242 -8.545 1.00 10.21 O ATOM 542 CB ASP A 39 -4.481 -13.388 -7.768 1.00 53.15 C ATOM 543 CG ASP A 39 -3.587 -14.177 -8.718 1.00 70.24 C ATOM 544 OD1 ASP A 39 -3.566 -13.920 -9.944 1.00 4.10 O ATOM 545 OD2 ASP A 39 -2.858 -15.076 -8.237 1.00 21.21 O ATOM 0 H ASP A 39 -5.379 -12.056 -5.891 1.00 13.25 H new ATOM 0 HA ASP A 39 -2.761 -12.790 -6.645 1.00 15.03 H new ATOM 0 HB2 ASP A 39 -4.936 -14.059 -7.039 1.00 53.15 H new ATOM 0 HB3 ASP A 39 -5.295 -12.921 -8.323 1.00 53.15 H new ATOM 550 N ASP A 40 -4.126 -10.277 -8.293 1.00 1.23 N ATOM 551 CA ASP A 40 -3.855 -9.170 -9.200 1.00 54.50 C ATOM 552 C ASP A 40 -2.793 -8.281 -8.572 1.00 61.40 C ATOM 553 O ASP A 40 -1.780 -7.972 -9.204 1.00 3.54 O ATOM 554 CB ASP A 40 -5.127 -8.347 -9.450 1.00 43.20 C ATOM 555 CG ASP A 40 -6.197 -9.206 -10.099 1.00 25.12 C ATOM 556 OD1 ASP A 40 -7.044 -9.753 -9.362 1.00 64.02 O ATOM 557 OD2 ASP A 40 -6.124 -9.425 -11.327 1.00 43.43 O ATOM 0 H ASP A 40 -5.057 -10.250 -7.877 1.00 1.23 H new ATOM 0 HA ASP A 40 -3.509 -9.565 -10.155 1.00 54.50 H new ATOM 0 HB2 ASP A 40 -5.498 -7.944 -8.507 1.00 43.20 H new ATOM 0 HB3 ASP A 40 -4.897 -7.496 -10.091 1.00 43.20 H new ATOM 562 N LEU A 41 -2.999 -7.954 -7.289 1.00 61.43 N ATOM 563 CA LEU A 41 -2.137 -7.096 -6.490 1.00 72.54 C ATOM 564 C LEU A 41 -0.685 -7.556 -6.459 1.00 21.22 C ATOM 565 O LEU A 41 0.174 -6.679 -6.390 1.00 62.50 O ATOM 566 CB LEU A 41 -2.690 -6.962 -5.060 1.00 12.51 C ATOM 567 CG LEU A 41 -3.547 -5.713 -4.778 1.00 23.42 C ATOM 568 CD1 LEU A 41 -2.704 -4.433 -4.724 1.00 13.31 C ATOM 569 CD2 LEU A 41 -4.732 -5.522 -5.729 1.00 52.14 C ATOM 0 H LEU A 41 -3.805 -8.297 -6.766 1.00 61.43 H new ATOM 0 HA LEU A 41 -2.139 -6.120 -6.976 1.00 72.54 H new ATOM 0 HB2 LEU A 41 -3.289 -7.846 -4.840 1.00 12.51 H new ATOM 0 HB3 LEU A 41 -1.850 -6.965 -4.366 1.00 12.51 H new ATOM 0 HG LEU A 41 -3.973 -5.904 -3.793 1.00 23.42 H new ATOM 0 HD11 LEU A 41 -3.351 -3.579 -4.523 1.00 13.31 H new ATOM 0 HD12 LEU A 41 -1.961 -4.520 -3.931 1.00 13.31 H new ATOM 0 HD13 LEU A 41 -2.200 -4.289 -5.680 1.00 13.31 H new ATOM 0 HD21 LEU A 41 -5.277 -4.619 -5.454 1.00 52.14 H new ATOM 0 HD22 LEU A 41 -4.366 -5.429 -6.752 1.00 52.14 H new ATOM 0 HD23 LEU A 41 -5.397 -6.383 -5.659 1.00 52.14 H new ATOM 581 N SER A 42 -0.371 -8.854 -6.521 1.00 71.21 N ATOM 582 CA SER A 42 1.026 -9.288 -6.507 1.00 62.42 C ATOM 583 C SER A 42 1.761 -8.738 -7.737 1.00 62.14 C ATOM 584 O SER A 42 2.885 -8.255 -7.625 1.00 34.31 O ATOM 585 CB SER A 42 1.160 -10.819 -6.420 1.00 22.31 C ATOM 586 OG SER A 42 -0.078 -11.504 -6.434 1.00 52.12 O ATOM 0 H SER A 42 -1.054 -9.610 -6.580 1.00 71.21 H new ATOM 0 HA SER A 42 1.490 -8.883 -5.608 1.00 62.42 H new ATOM 0 HB2 SER A 42 1.767 -11.169 -7.255 1.00 22.31 H new ATOM 0 HB3 SER A 42 1.696 -11.076 -5.506 1.00 22.31 H new ATOM 0 HG SER A 42 -0.526 -11.352 -7.292 1.00 52.12 H new ATOM 592 N THR A 43 1.124 -8.756 -8.910 1.00 72.31 N ATOM 593 CA THR A 43 1.694 -8.270 -10.167 1.00 41.45 C ATOM 594 C THR A 43 2.049 -6.783 -10.040 1.00 74.15 C ATOM 595 O THR A 43 3.143 -6.335 -10.403 1.00 70.42 O ATOM 596 CB THR A 43 0.683 -8.482 -11.320 1.00 3.31 C ATOM 597 OG1 THR A 43 -0.245 -9.519 -11.044 1.00 21.33 O ATOM 598 CG2 THR A 43 1.401 -8.810 -12.629 1.00 61.32 C ATOM 0 H THR A 43 0.176 -9.117 -9.014 1.00 72.31 H new ATOM 0 HA THR A 43 2.603 -8.830 -10.388 1.00 41.45 H new ATOM 0 HB THR A 43 0.139 -7.543 -11.416 1.00 3.31 H new ATOM 0 HG1 THR A 43 -0.978 -9.165 -10.498 1.00 21.33 H new ATOM 0 HG21 THR A 43 0.666 -8.954 -13.421 1.00 61.32 H new ATOM 0 HG22 THR A 43 2.065 -7.988 -12.895 1.00 61.32 H new ATOM 0 HG23 THR A 43 1.984 -9.722 -12.505 1.00 61.32 H new ATOM 606 N ILE A 44 1.100 -6.023 -9.493 1.00 1.11 N ATOM 607 CA ILE A 44 1.187 -4.591 -9.268 1.00 60.33 C ATOM 608 C ILE A 44 2.327 -4.326 -8.278 1.00 5.40 C ATOM 609 O ILE A 44 3.204 -3.504 -8.548 1.00 11.43 O ATOM 610 CB ILE A 44 -0.185 -4.069 -8.782 1.00 62.03 C ATOM 611 CG1 ILE A 44 -1.341 -4.535 -9.702 1.00 11.45 C ATOM 612 CG2 ILE A 44 -0.145 -2.536 -8.717 1.00 11.43 C ATOM 613 CD1 ILE A 44 -2.735 -4.107 -9.244 1.00 21.22 C ATOM 0 H ILE A 44 0.210 -6.413 -9.182 1.00 1.11 H new ATOM 0 HA ILE A 44 1.419 -4.049 -10.185 1.00 60.33 H new ATOM 0 HB ILE A 44 -0.376 -4.481 -7.791 1.00 62.03 H new ATOM 0 HG12 ILE A 44 -1.168 -4.146 -10.705 1.00 11.45 H new ATOM 0 HG13 ILE A 44 -1.315 -5.622 -9.773 1.00 11.45 H new ATOM 0 HG21 ILE A 44 -1.110 -2.161 -8.375 1.00 11.43 H new ATOM 0 HG22 ILE A 44 0.634 -2.221 -8.022 1.00 11.43 H new ATOM 0 HG23 ILE A 44 0.069 -2.135 -9.708 1.00 11.43 H new ATOM 0 HD11 ILE A 44 -3.479 -4.478 -9.949 1.00 21.22 H new ATOM 0 HD12 ILE A 44 -2.935 -4.518 -8.255 1.00 21.22 H new ATOM 0 HD13 ILE A 44 -2.786 -3.019 -9.202 1.00 21.22 H new ATOM 625 N ALA A 45 2.348 -5.040 -7.148 1.00 74.04 N ATOM 626 CA ALA A 45 3.370 -4.913 -6.123 1.00 73.42 C ATOM 627 C ALA A 45 4.741 -5.176 -6.750 1.00 73.54 C ATOM 628 O ALA A 45 5.664 -4.391 -6.538 1.00 54.21 O ATOM 629 CB ALA A 45 3.054 -5.872 -4.967 1.00 62.00 C ATOM 0 H ALA A 45 1.636 -5.735 -6.923 1.00 74.04 H new ATOM 0 HA ALA A 45 3.385 -3.904 -5.710 1.00 73.42 H new ATOM 0 HB1 ALA A 45 3.820 -5.778 -4.197 1.00 62.00 H new ATOM 0 HB2 ALA A 45 2.081 -5.623 -4.543 1.00 62.00 H new ATOM 0 HB3 ALA A 45 3.037 -6.897 -5.339 1.00 62.00 H new ATOM 635 N GLN A 46 4.880 -6.247 -7.542 1.00 1.24 N ATOM 636 CA GLN A 46 6.114 -6.600 -8.221 1.00 2.52 C ATOM 637 C GLN A 46 6.553 -5.441 -9.122 1.00 11.45 C ATOM 638 O GLN A 46 7.737 -5.118 -9.141 1.00 10.23 O ATOM 639 CB GLN A 46 5.923 -7.891 -9.025 1.00 33.43 C ATOM 640 CG GLN A 46 5.953 -9.144 -8.138 1.00 52.20 C ATOM 641 CD GLN A 46 7.342 -9.564 -7.660 1.00 43.24 C ATOM 642 OE1 GLN A 46 8.326 -8.832 -7.790 1.00 62.10 O ATOM 643 NE2 GLN A 46 7.467 -10.729 -7.049 1.00 35.43 N ATOM 0 H GLN A 46 4.118 -6.899 -7.726 1.00 1.24 H new ATOM 0 HA GLN A 46 6.898 -6.779 -7.486 1.00 2.52 H new ATOM 0 HB2 GLN A 46 4.972 -7.848 -9.556 1.00 33.43 H new ATOM 0 HB3 GLN A 46 6.706 -7.965 -9.780 1.00 33.43 H new ATOM 0 HG2 GLN A 46 5.323 -8.969 -7.266 1.00 52.20 H new ATOM 0 HG3 GLN A 46 5.509 -9.972 -8.690 1.00 52.20 H new ATOM 0 HE21 GLN A 46 6.655 -11.337 -6.940 1.00 35.43 H new ATOM 0 HE22 GLN A 46 8.375 -11.020 -6.687 1.00 35.43 H new ATOM 652 N SER A 47 5.619 -4.800 -9.837 1.00 22.20 N ATOM 653 CA SER A 47 5.893 -3.673 -10.728 1.00 2.23 C ATOM 654 C SER A 47 6.587 -2.557 -9.941 1.00 11.33 C ATOM 655 O SER A 47 7.584 -1.981 -10.391 1.00 44.01 O ATOM 656 CB SER A 47 4.579 -3.210 -11.377 1.00 61.01 C ATOM 657 OG SER A 47 4.824 -2.510 -12.573 1.00 54.54 O ATOM 0 H SER A 47 4.633 -5.058 -9.809 1.00 22.20 H new ATOM 0 HA SER A 47 6.568 -3.970 -11.531 1.00 2.23 H new ATOM 0 HB2 SER A 47 3.946 -4.074 -11.581 1.00 61.01 H new ATOM 0 HB3 SER A 47 4.033 -2.571 -10.683 1.00 61.01 H new ATOM 0 HG SER A 47 3.972 -2.228 -12.967 1.00 54.54 H new ATOM 663 N LEU A 48 6.091 -2.263 -8.734 1.00 41.32 N ATOM 664 CA LEU A 48 6.676 -1.234 -7.888 1.00 24.41 C ATOM 665 C LEU A 48 8.078 -1.661 -7.457 1.00 5.04 C ATOM 666 O LEU A 48 8.981 -0.830 -7.498 1.00 63.11 O ATOM 667 CB LEU A 48 5.784 -0.916 -6.677 1.00 22.21 C ATOM 668 CG LEU A 48 4.770 0.205 -6.973 1.00 61.22 C ATOM 669 CD1 LEU A 48 3.670 -0.195 -7.963 1.00 60.33 C ATOM 670 CD2 LEU A 48 4.120 0.643 -5.663 1.00 2.13 C ATOM 0 H LEU A 48 5.281 -2.730 -8.325 1.00 41.32 H new ATOM 0 HA LEU A 48 6.752 -0.312 -8.465 1.00 24.41 H new ATOM 0 HB2 LEU A 48 5.248 -1.817 -6.377 1.00 22.21 H new ATOM 0 HB3 LEU A 48 6.411 -0.622 -5.835 1.00 22.21 H new ATOM 0 HG LEU A 48 5.330 1.015 -7.440 1.00 61.22 H new ATOM 0 HD11 LEU A 48 2.997 0.648 -8.119 1.00 60.33 H new ATOM 0 HD12 LEU A 48 4.122 -0.479 -8.913 1.00 60.33 H new ATOM 0 HD13 LEU A 48 3.108 -1.039 -7.562 1.00 60.33 H new ATOM 0 HD21 LEU A 48 3.400 1.437 -5.862 1.00 2.13 H new ATOM 0 HD22 LEU A 48 3.608 -0.206 -5.209 1.00 2.13 H new ATOM 0 HD23 LEU A 48 4.887 1.011 -4.982 1.00 2.13 H new ATOM 682 N VAL A 49 8.302 -2.920 -7.065 1.00 53.05 N ATOM 683 CA VAL A 49 9.634 -3.374 -6.656 1.00 2.13 C ATOM 684 C VAL A 49 10.611 -3.254 -7.830 1.00 33.34 C ATOM 685 O VAL A 49 11.713 -2.736 -7.647 1.00 73.13 O ATOM 686 CB VAL A 49 9.593 -4.795 -6.065 1.00 22.53 C ATOM 687 CG1 VAL A 49 10.982 -5.240 -5.590 1.00 12.02 C ATOM 688 CG2 VAL A 49 8.663 -4.832 -4.849 1.00 35.25 C ATOM 0 H VAL A 49 7.580 -3.640 -7.023 1.00 53.05 H new ATOM 0 HA VAL A 49 9.994 -2.727 -5.856 1.00 2.13 H new ATOM 0 HB VAL A 49 9.238 -5.460 -6.852 1.00 22.53 H new ATOM 0 HG11 VAL A 49 10.920 -6.247 -5.178 1.00 12.02 H new ATOM 0 HG12 VAL A 49 11.674 -5.234 -6.432 1.00 12.02 H new ATOM 0 HG13 VAL A 49 11.341 -4.555 -4.822 1.00 12.02 H new ATOM 0 HG21 VAL A 49 8.641 -5.841 -4.438 1.00 35.25 H new ATOM 0 HG22 VAL A 49 9.028 -4.140 -4.090 1.00 35.25 H new ATOM 0 HG23 VAL A 49 7.657 -4.541 -5.151 1.00 35.25 H new ATOM 698 N GLN A 50 10.215 -3.705 -9.023 1.00 2.20 N ATOM 699 CA GLN A 50 11.030 -3.643 -10.232 1.00 24.21 C ATOM 700 C GLN A 50 11.384 -2.174 -10.517 1.00 14.23 C ATOM 701 O GLN A 50 12.506 -1.875 -10.936 1.00 73.13 O ATOM 702 CB GLN A 50 10.264 -4.299 -11.394 1.00 24.44 C ATOM 703 CG GLN A 50 10.054 -5.816 -11.208 1.00 22.20 C ATOM 704 CD GLN A 50 8.958 -6.394 -12.112 1.00 15.14 C ATOM 705 OE1 GLN A 50 7.981 -5.734 -12.470 1.00 53.24 O ATOM 706 NE2 GLN A 50 9.072 -7.656 -12.485 1.00 13.23 N ATOM 0 H GLN A 50 9.301 -4.131 -9.175 1.00 2.20 H new ATOM 0 HA GLN A 50 11.963 -4.192 -10.105 1.00 24.21 H new ATOM 0 HB2 GLN A 50 9.293 -3.815 -11.499 1.00 24.44 H new ATOM 0 HB3 GLN A 50 10.808 -4.126 -12.322 1.00 24.44 H new ATOM 0 HG2 GLN A 50 10.992 -6.333 -11.411 1.00 22.20 H new ATOM 0 HG3 GLN A 50 9.799 -6.015 -10.167 1.00 22.20 H new ATOM 0 HE21 GLN A 50 9.880 -8.204 -12.190 1.00 13.23 H new ATOM 0 HE22 GLN A 50 8.352 -8.082 -13.068 1.00 13.23 H new ATOM 715 N SER A 51 10.453 -1.252 -10.242 1.00 22.44 N ATOM 716 CA SER A 51 10.661 0.172 -10.430 1.00 32.12 C ATOM 717 C SER A 51 11.680 0.680 -9.397 1.00 2.14 C ATOM 718 O SER A 51 12.621 1.394 -9.757 1.00 1.23 O ATOM 719 CB SER A 51 9.330 0.930 -10.324 1.00 15.33 C ATOM 720 OG SER A 51 8.366 0.474 -11.266 1.00 12.42 O ATOM 0 H SER A 51 9.529 -1.485 -9.880 1.00 22.44 H new ATOM 0 HA SER A 51 11.059 0.352 -11.428 1.00 32.12 H new ATOM 0 HB2 SER A 51 8.930 0.816 -9.316 1.00 15.33 H new ATOM 0 HB3 SER A 51 9.509 1.994 -10.478 1.00 15.33 H new ATOM 0 HG SER A 51 8.034 -0.407 -10.994 1.00 12.42 H new ATOM 726 N ILE A 52 11.525 0.300 -8.119 1.00 31.10 N ATOM 727 CA ILE A 52 12.401 0.681 -7.007 1.00 74.42 C ATOM 728 C ILE A 52 13.848 0.263 -7.321 1.00 45.53 C ATOM 729 O ILE A 52 14.773 0.997 -6.963 1.00 21.34 O ATOM 730 CB ILE A 52 11.841 0.137 -5.658 1.00 72.12 C ATOM 731 CG1 ILE A 52 10.546 0.889 -5.256 1.00 31.40 C ATOM 732 CG2 ILE A 52 12.850 0.253 -4.499 1.00 14.33 C ATOM 733 CD1 ILE A 52 9.709 0.169 -4.188 1.00 3.13 C ATOM 0 H ILE A 52 10.757 -0.303 -7.824 1.00 31.10 H new ATOM 0 HA ILE A 52 12.421 1.764 -6.888 1.00 74.42 H new ATOM 0 HB ILE A 52 11.633 -0.920 -5.827 1.00 72.12 H new ATOM 0 HG12 ILE A 52 10.813 1.879 -4.886 1.00 31.40 H new ATOM 0 HG13 ILE A 52 9.933 1.036 -6.145 1.00 31.40 H new ATOM 0 HG21 ILE A 52 12.403 -0.142 -3.587 1.00 14.33 H new ATOM 0 HG22 ILE A 52 13.747 -0.317 -4.739 1.00 14.33 H new ATOM 0 HG23 ILE A 52 13.114 1.300 -4.350 1.00 14.33 H new ATOM 0 HD11 ILE A 52 8.821 0.760 -3.962 1.00 3.13 H new ATOM 0 HD12 ILE A 52 9.409 -0.810 -4.560 1.00 3.13 H new ATOM 0 HD13 ILE A 52 10.303 0.046 -3.282 1.00 3.13 H new ATOM 745 N GLN A 53 14.072 -0.855 -8.022 1.00 73.55 N ATOM 746 CA GLN A 53 15.420 -1.303 -8.371 1.00 54.41 C ATOM 747 C GLN A 53 16.180 -0.258 -9.212 1.00 43.52 C ATOM 748 O GLN A 53 17.410 -0.222 -9.142 1.00 53.44 O ATOM 749 CB GLN A 53 15.396 -2.626 -9.146 1.00 71.03 C ATOM 750 CG GLN A 53 14.954 -3.880 -8.383 1.00 33.41 C ATOM 751 CD GLN A 53 15.078 -5.140 -9.252 1.00 15.14 C ATOM 752 OE1 GLN A 53 15.341 -5.074 -10.455 1.00 22.12 O ATOM 753 NE2 GLN A 53 14.895 -6.314 -8.671 1.00 34.41 N ATOM 0 H GLN A 53 13.330 -1.468 -8.359 1.00 73.55 H new ATOM 0 HA GLN A 53 15.939 -1.445 -7.423 1.00 54.41 H new ATOM 0 HB2 GLN A 53 14.735 -2.503 -10.004 1.00 71.03 H new ATOM 0 HB3 GLN A 53 16.397 -2.805 -9.538 1.00 71.03 H new ATOM 0 HG2 GLN A 53 15.562 -3.994 -7.486 1.00 33.41 H new ATOM 0 HG3 GLN A 53 13.921 -3.763 -8.055 1.00 33.41 H new ATOM 0 HE21 GLN A 53 14.678 -6.362 -7.676 1.00 34.41 H new ATOM 0 HE22 GLN A 53 14.971 -7.171 -9.218 1.00 34.41 H new ATOM 762 N SER A 54 15.505 0.563 -10.027 1.00 62.23 N ATOM 763 CA SER A 54 16.169 1.575 -10.838 1.00 31.41 C ATOM 764 C SER A 54 16.840 2.574 -9.903 1.00 65.32 C ATOM 765 O SER A 54 18.019 2.877 -10.060 1.00 4.31 O ATOM 766 CB SER A 54 15.204 2.241 -11.836 1.00 53.21 C ATOM 767 OG SER A 54 14.183 3.011 -11.229 1.00 34.33 O ATOM 0 H SER A 54 14.491 0.540 -10.138 1.00 62.23 H new ATOM 0 HA SER A 54 16.933 1.107 -11.459 1.00 31.41 H new ATOM 0 HB2 SER A 54 15.777 2.882 -12.506 1.00 53.21 H new ATOM 0 HB3 SER A 54 14.744 1.467 -12.451 1.00 53.21 H new ATOM 0 HG SER A 54 13.708 2.463 -10.570 1.00 34.33 H new ATOM 773 N LEU A 55 16.115 3.061 -8.896 1.00 60.53 N ATOM 774 CA LEU A 55 16.667 4.005 -7.941 1.00 11.32 C ATOM 775 C LEU A 55 17.708 3.317 -7.071 1.00 21.22 C ATOM 776 O LEU A 55 18.717 3.944 -6.761 1.00 22.41 O ATOM 777 CB LEU A 55 15.557 4.665 -7.115 1.00 3.15 C ATOM 778 CG LEU A 55 15.057 5.992 -7.717 1.00 55.21 C ATOM 779 CD1 LEU A 55 16.146 7.072 -7.652 1.00 72.25 C ATOM 780 CD2 LEU A 55 14.563 5.867 -9.163 1.00 11.20 C ATOM 0 H LEU A 55 15.141 2.812 -8.725 1.00 60.53 H new ATOM 0 HA LEU A 55 17.169 4.807 -8.482 1.00 11.32 H new ATOM 0 HB2 LEU A 55 14.718 3.974 -7.029 1.00 3.15 H new ATOM 0 HB3 LEU A 55 15.925 4.848 -6.105 1.00 3.15 H new ATOM 0 HG LEU A 55 14.202 6.279 -7.105 1.00 55.21 H new ATOM 0 HD11 LEU A 55 15.766 7.998 -8.084 1.00 72.25 H new ATOM 0 HD12 LEU A 55 16.426 7.244 -6.613 1.00 72.25 H new ATOM 0 HD13 LEU A 55 17.020 6.742 -8.213 1.00 72.25 H new ATOM 0 HD21 LEU A 55 14.227 6.841 -9.518 1.00 11.20 H new ATOM 0 HD22 LEU A 55 15.376 5.511 -9.796 1.00 11.20 H new ATOM 0 HD23 LEU A 55 13.734 5.160 -9.205 1.00 11.20 H new ATOM 792 N ALA A 56 17.516 2.032 -6.745 1.00 35.34 N ATOM 793 CA ALA A 56 18.437 1.226 -5.942 1.00 32.20 C ATOM 794 C ALA A 56 19.844 1.235 -6.548 1.00 44.43 C ATOM 795 O ALA A 56 20.832 1.067 -5.836 1.00 21.35 O ATOM 796 CB ALA A 56 17.922 -0.205 -5.794 1.00 0.21 C ATOM 0 H ALA A 56 16.691 1.512 -7.043 1.00 35.34 H new ATOM 0 HA ALA A 56 18.493 1.671 -4.949 1.00 32.20 H new ATOM 0 HB1 ALA A 56 18.624 -0.784 -5.193 1.00 0.21 H new ATOM 0 HB2 ALA A 56 16.949 -0.193 -5.303 1.00 0.21 H new ATOM 0 HB3 ALA A 56 17.826 -0.661 -6.779 1.00 0.21 H new ATOM 802 N ALA A 57 19.948 1.414 -7.869 1.00 73.55 N ATOM 803 CA ALA A 57 21.211 1.481 -8.582 1.00 35.01 C ATOM 804 C ALA A 57 22.099 2.550 -7.906 1.00 54.22 C ATOM 805 O ALA A 57 23.274 2.303 -7.627 1.00 10.25 O ATOM 806 CB ALA A 57 20.908 1.764 -10.060 1.00 12.11 C ATOM 0 H ALA A 57 19.136 1.518 -8.477 1.00 73.55 H new ATOM 0 HA ALA A 57 21.767 0.544 -8.543 1.00 35.01 H new ATOM 0 HB1 ALA A 57 21.842 1.819 -10.619 1.00 12.11 H new ATOM 0 HB2 ALA A 57 20.290 0.962 -10.465 1.00 12.11 H new ATOM 0 HB3 ALA A 57 20.376 2.712 -10.147 1.00 12.11 H new ATOM 812 N GLN A 58 21.545 3.729 -7.606 1.00 41.31 N ATOM 813 CA GLN A 58 22.258 4.817 -6.932 1.00 74.31 C ATOM 814 C GLN A 58 21.979 4.784 -5.418 1.00 35.12 C ATOM 815 O GLN A 58 22.741 5.334 -4.630 1.00 32.43 O ATOM 816 CB GLN A 58 21.823 6.172 -7.515 1.00 42.45 C ATOM 817 CG GLN A 58 22.005 6.307 -9.039 1.00 42.10 C ATOM 818 CD GLN A 58 23.423 6.029 -9.529 1.00 61.14 C ATOM 819 OE1 GLN A 58 23.638 5.166 -10.380 1.00 25.23 O ATOM 820 NE2 GLN A 58 24.414 6.748 -9.037 1.00 61.34 N ATOM 0 H GLN A 58 20.576 3.957 -7.828 1.00 41.31 H new ATOM 0 HA GLN A 58 23.328 4.685 -7.094 1.00 74.31 H new ATOM 0 HB2 GLN A 58 20.773 6.336 -7.273 1.00 42.45 H new ATOM 0 HB3 GLN A 58 22.391 6.962 -7.024 1.00 42.45 H new ATOM 0 HG2 GLN A 58 21.320 5.621 -9.537 1.00 42.10 H new ATOM 0 HG3 GLN A 58 21.721 7.315 -9.339 1.00 42.10 H new ATOM 0 HE21 GLN A 58 24.226 7.461 -8.332 1.00 61.34 H new ATOM 0 HE22 GLN A 58 25.368 6.591 -9.362 1.00 61.34 H new ATOM 829 N GLY A 59 20.865 4.174 -5.011 1.00 34.24 N ATOM 830 CA GLY A 59 20.348 3.990 -3.660 1.00 72.44 C ATOM 831 C GLY A 59 19.795 5.267 -3.018 1.00 32.50 C ATOM 832 O GLY A 59 19.004 5.186 -2.077 1.00 25.21 O ATOM 0 H GLY A 59 20.238 3.753 -5.696 1.00 34.24 H new ATOM 0 HA2 GLY A 59 19.559 3.238 -3.685 1.00 72.44 H new ATOM 0 HA3 GLY A 59 21.145 3.595 -3.029 1.00 72.44 H new ATOM 836 N ARG A 60 20.102 6.443 -3.562 1.00 14.24 N ATOM 837 CA ARG A 60 19.638 7.734 -3.060 1.00 33.32 C ATOM 838 C ARG A 60 18.243 8.001 -3.606 1.00 54.45 C ATOM 839 O ARG A 60 18.052 7.852 -4.817 1.00 31.13 O ATOM 840 CB ARG A 60 20.635 8.817 -3.506 1.00 15.54 C ATOM 841 CG ARG A 60 21.983 8.643 -2.780 1.00 34.14 C ATOM 842 CD ARG A 60 22.903 9.862 -2.882 1.00 4.03 C ATOM 843 NE ARG A 60 23.572 9.964 -4.189 1.00 1.30 N ATOM 844 CZ ARG A 60 23.869 11.084 -4.858 1.00 31.35 C ATOM 845 NH1 ARG A 60 23.629 12.269 -4.308 1.00 33.00 N ATOM 846 NH2 ARG A 60 24.400 11.009 -6.075 1.00 0.02 N ATOM 0 H ARG A 60 20.697 6.526 -4.387 1.00 14.24 H new ATOM 0 HA ARG A 60 19.584 7.739 -1.971 1.00 33.32 H new ATOM 0 HB2 ARG A 60 20.786 8.759 -4.584 1.00 15.54 H new ATOM 0 HB3 ARG A 60 20.226 9.805 -3.294 1.00 15.54 H new ATOM 0 HG2 ARG A 60 21.793 8.430 -1.728 1.00 34.14 H new ATOM 0 HG3 ARG A 60 22.498 7.776 -3.193 1.00 34.14 H new ATOM 0 HD2 ARG A 60 22.321 10.767 -2.705 1.00 4.03 H new ATOM 0 HD3 ARG A 60 23.657 9.809 -2.096 1.00 4.03 H new ATOM 0 HE ARG A 60 23.838 9.085 -4.633 1.00 1.30 H new ATOM 0 HH11 ARG A 60 23.218 12.325 -3.376 1.00 33.00 H new ATOM 0 HH12 ARG A 60 23.855 13.123 -4.818 1.00 33.00 H new ATOM 0 HH21 ARG A 60 24.580 10.098 -6.497 1.00 0.02 H new ATOM 0 HH22 ARG A 60 24.627 11.862 -6.586 1.00 0.02 H new ATOM 860 N THR A 61 17.254 8.339 -2.774 1.00 12.44 N ATOM 861 CA THR A 61 15.895 8.625 -3.237 1.00 21.40 C ATOM 862 C THR A 61 15.184 9.580 -2.274 1.00 12.24 C ATOM 863 O THR A 61 14.831 9.191 -1.158 1.00 42.23 O ATOM 864 CB THR A 61 15.061 7.343 -3.465 1.00 3.13 C ATOM 865 OG1 THR A 61 15.843 6.284 -3.983 1.00 30.41 O ATOM 866 CG2 THR A 61 13.937 7.624 -4.467 1.00 12.12 C ATOM 0 H THR A 61 17.373 8.422 -1.764 1.00 12.44 H new ATOM 0 HA THR A 61 15.987 9.113 -4.208 1.00 21.40 H new ATOM 0 HB THR A 61 14.662 7.049 -2.494 1.00 3.13 H new ATOM 0 HG1 THR A 61 15.279 5.493 -4.111 1.00 30.41 H new ATOM 0 HG21 THR A 61 13.353 6.717 -4.623 1.00 12.12 H new ATOM 0 HG22 THR A 61 13.290 8.409 -4.077 1.00 12.12 H new ATOM 0 HG23 THR A 61 14.367 7.946 -5.415 1.00 12.12 H new ATOM 874 N SER A 62 14.991 10.832 -2.696 1.00 31.34 N ATOM 875 CA SER A 62 14.310 11.867 -1.920 1.00 35.35 C ATOM 876 C SER A 62 12.819 11.501 -1.732 1.00 71.12 C ATOM 877 O SER A 62 12.265 10.787 -2.571 1.00 62.11 O ATOM 878 CB SER A 62 14.499 13.185 -2.663 1.00 53.12 C ATOM 879 OG SER A 62 15.883 13.481 -2.755 1.00 31.21 O ATOM 0 H SER A 62 15.312 11.160 -3.607 1.00 31.34 H new ATOM 0 HA SER A 62 14.728 11.957 -0.918 1.00 35.35 H new ATOM 0 HB2 SER A 62 14.063 13.119 -3.660 1.00 53.12 H new ATOM 0 HB3 SER A 62 13.978 13.987 -2.140 1.00 53.12 H new ATOM 0 HG SER A 62 16.005 14.327 -3.234 1.00 31.21 H new ATOM 885 N PRO A 63 12.115 12.033 -0.715 1.00 45.30 N ATOM 886 CA PRO A 63 10.719 11.689 -0.447 1.00 73.31 C ATOM 887 C PRO A 63 9.641 12.237 -1.383 1.00 62.04 C ATOM 888 O PRO A 63 8.644 11.540 -1.581 1.00 53.23 O ATOM 889 CB PRO A 63 10.454 12.185 0.974 1.00 1.04 C ATOM 890 CG PRO A 63 11.398 13.373 1.109 1.00 3.35 C ATOM 891 CD PRO A 63 12.629 12.894 0.341 1.00 14.14 C ATOM 0 HA PRO A 63 10.630 10.614 -0.604 1.00 73.31 H new ATOM 0 HB2 PRO A 63 9.414 12.480 1.110 1.00 1.04 H new ATOM 0 HB3 PRO A 63 10.667 11.415 1.716 1.00 1.04 H new ATOM 0 HG2 PRO A 63 10.976 14.280 0.677 1.00 3.35 H new ATOM 0 HG3 PRO A 63 11.628 13.594 2.151 1.00 3.35 H new ATOM 0 HD2 PRO A 63 13.185 13.735 -0.073 1.00 14.14 H new ATOM 0 HD3 PRO A 63 13.312 12.350 0.993 1.00 14.14 H new ATOM 899 N ASN A 64 9.781 13.440 -1.959 1.00 64.34 N ATOM 900 CA ASN A 64 8.726 13.975 -2.833 1.00 63.21 C ATOM 901 C ASN A 64 8.552 13.102 -4.068 1.00 72.43 C ATOM 902 O ASN A 64 7.428 12.741 -4.408 1.00 53.31 O ATOM 903 CB ASN A 64 8.938 15.444 -3.221 1.00 3.54 C ATOM 904 CG ASN A 64 8.864 16.361 -2.015 1.00 60.34 C ATOM 905 OD1 ASN A 64 9.898 16.841 -1.556 1.00 13.14 O ATOM 906 ND2 ASN A 64 7.678 16.598 -1.480 1.00 72.22 N ATOM 0 H ASN A 64 10.592 14.048 -1.841 1.00 64.34 H new ATOM 0 HA ASN A 64 7.806 13.950 -2.250 1.00 63.21 H new ATOM 0 HB2 ASN A 64 9.909 15.556 -3.704 1.00 3.54 H new ATOM 0 HB3 ASN A 64 8.183 15.740 -3.950 1.00 3.54 H new ATOM 0 HD21 ASN A 64 7.600 17.197 -0.658 1.00 72.22 H new ATOM 0 HD22 ASN A 64 6.842 16.182 -1.889 1.00 72.22 H new ATOM 913 N LYS A 65 9.646 12.734 -4.736 1.00 72.14 N ATOM 914 CA LYS A 65 9.581 11.875 -5.920 1.00 40.43 C ATOM 915 C LYS A 65 9.125 10.471 -5.524 1.00 43.21 C ATOM 916 O LYS A 65 8.262 9.895 -6.182 1.00 2.40 O ATOM 917 CB LYS A 65 10.931 11.862 -6.650 1.00 60.41 C ATOM 918 CG LYS A 65 12.099 11.375 -5.774 1.00 23.10 C ATOM 919 CD LYS A 65 13.462 11.799 -6.310 1.00 54.12 C ATOM 920 CE LYS A 65 13.715 11.346 -7.749 1.00 34.34 C ATOM 921 NZ LYS A 65 13.786 9.878 -7.873 1.00 1.04 N ATOM 0 H LYS A 65 10.591 13.018 -4.477 1.00 72.14 H new ATOM 0 HA LYS A 65 8.845 12.276 -6.617 1.00 40.43 H new ATOM 0 HB2 LYS A 65 10.854 11.221 -7.528 1.00 60.41 H new ATOM 0 HB3 LYS A 65 11.151 12.868 -7.008 1.00 60.41 H new ATOM 0 HG2 LYS A 65 11.975 11.764 -4.763 1.00 23.10 H new ATOM 0 HG3 LYS A 65 12.064 10.288 -5.703 1.00 23.10 H new ATOM 0 HD2 LYS A 65 13.543 12.885 -6.259 1.00 54.12 H new ATOM 0 HD3 LYS A 65 14.241 11.391 -5.666 1.00 54.12 H new ATOM 0 HE2 LYS A 65 12.919 11.724 -8.391 1.00 34.34 H new ATOM 0 HE3 LYS A 65 14.647 11.783 -8.106 1.00 34.34 H new ATOM 0 HZ1 LYS A 65 14.059 9.624 -8.844 1.00 1.04 H new ATOM 0 HZ2 LYS A 65 14.493 9.507 -7.207 1.00 1.04 H new ATOM 0 HZ3 LYS A 65 12.856 9.466 -7.656 1.00 1.04 H new ATOM 935 N LEU A 66 9.658 9.939 -4.417 1.00 24.51 N ATOM 936 CA LEU A 66 9.333 8.612 -3.897 1.00 72.23 C ATOM 937 C LEU A 66 7.827 8.473 -3.645 1.00 43.54 C ATOM 938 O LEU A 66 7.261 7.396 -3.837 1.00 4.33 O ATOM 939 CB LEU A 66 10.153 8.392 -2.615 1.00 54.34 C ATOM 940 CG LEU A 66 10.122 6.977 -2.025 1.00 10.51 C ATOM 941 CD1 LEU A 66 10.895 5.993 -2.900 1.00 61.32 C ATOM 942 CD2 LEU A 66 10.782 7.004 -0.644 1.00 14.24 C ATOM 0 H LEU A 66 10.344 10.434 -3.847 1.00 24.51 H new ATOM 0 HA LEU A 66 9.591 7.845 -4.628 1.00 72.23 H new ATOM 0 HB2 LEU A 66 11.190 8.654 -2.823 1.00 54.34 H new ATOM 0 HB3 LEU A 66 9.795 9.087 -1.856 1.00 54.34 H new ATOM 0 HG LEU A 66 9.082 6.656 -1.965 1.00 10.51 H new ATOM 0 HD11 LEU A 66 10.854 4.999 -2.454 1.00 61.32 H new ATOM 0 HD12 LEU A 66 10.450 5.963 -3.895 1.00 61.32 H new ATOM 0 HD13 LEU A 66 11.934 6.313 -2.977 1.00 61.32 H new ATOM 0 HD21 LEU A 66 10.766 6.003 -0.214 1.00 14.24 H new ATOM 0 HD22 LEU A 66 11.814 7.341 -0.740 1.00 14.24 H new ATOM 0 HD23 LEU A 66 10.236 7.687 0.007 1.00 14.24 H new ATOM 954 N GLN A 67 7.168 9.577 -3.279 1.00 24.25 N ATOM 955 CA GLN A 67 5.742 9.641 -3.011 1.00 34.00 C ATOM 956 C GLN A 67 4.921 9.153 -4.205 1.00 42.10 C ATOM 957 O GLN A 67 3.860 8.569 -4.005 1.00 70.41 O ATOM 958 CB GLN A 67 5.367 11.094 -2.698 1.00 35.01 C ATOM 959 CG GLN A 67 3.984 11.220 -2.069 1.00 62.33 C ATOM 960 CD GLN A 67 3.709 12.670 -1.691 1.00 22.12 C ATOM 961 OE1 GLN A 67 3.459 13.509 -2.552 1.00 21.23 O ATOM 962 NE2 GLN A 67 3.779 13.019 -0.421 1.00 34.10 N ATOM 0 H GLN A 67 7.635 10.476 -3.159 1.00 24.25 H new ATOM 0 HA GLN A 67 5.519 8.991 -2.165 1.00 34.00 H new ATOM 0 HB2 GLN A 67 6.109 11.520 -2.023 1.00 35.01 H new ATOM 0 HB3 GLN A 67 5.399 11.680 -3.617 1.00 35.01 H new ATOM 0 HG2 GLN A 67 3.225 10.868 -2.768 1.00 62.33 H new ATOM 0 HG3 GLN A 67 3.920 10.587 -1.184 1.00 62.33 H new ATOM 0 HE21 GLN A 67 3.987 12.318 0.290 1.00 34.10 H new ATOM 0 HE22 GLN A 67 3.625 13.990 -0.150 1.00 34.10 H new ATOM 971 N ALA A 68 5.388 9.374 -5.438 1.00 53.33 N ATOM 972 CA ALA A 68 4.668 8.946 -6.628 1.00 44.51 C ATOM 973 C ALA A 68 4.522 7.424 -6.671 1.00 10.13 C ATOM 974 O ALA A 68 3.541 6.911 -7.210 1.00 53.11 O ATOM 975 CB ALA A 68 5.386 9.462 -7.866 1.00 31.43 C ATOM 0 H ALA A 68 6.269 9.851 -5.632 1.00 53.33 H new ATOM 0 HA ALA A 68 3.662 9.364 -6.600 1.00 44.51 H new ATOM 0 HB1 ALA A 68 4.848 9.142 -8.758 1.00 31.43 H new ATOM 0 HB2 ALA A 68 5.425 10.551 -7.837 1.00 31.43 H new ATOM 0 HB3 ALA A 68 6.400 9.063 -7.891 1.00 31.43 H new ATOM 981 N LEU A 69 5.499 6.691 -6.136 1.00 23.53 N ATOM 982 CA LEU A 69 5.459 5.232 -6.089 1.00 62.33 C ATOM 983 C LEU A 69 4.494 4.846 -4.972 1.00 71.34 C ATOM 984 O LEU A 69 3.677 3.941 -5.117 1.00 43.11 O ATOM 985 CB LEU A 69 6.841 4.631 -5.769 1.00 54.40 C ATOM 986 CG LEU A 69 8.020 5.208 -6.567 1.00 40.12 C ATOM 987 CD1 LEU A 69 9.316 4.553 -6.088 1.00 51.41 C ATOM 988 CD2 LEU A 69 7.873 5.007 -8.079 1.00 33.23 C ATOM 0 H LEU A 69 6.340 7.094 -5.723 1.00 23.53 H new ATOM 0 HA LEU A 69 5.146 4.851 -7.061 1.00 62.33 H new ATOM 0 HB2 LEU A 69 7.041 4.773 -4.707 1.00 54.40 H new ATOM 0 HB3 LEU A 69 6.799 3.556 -5.945 1.00 54.40 H new ATOM 0 HG LEU A 69 8.038 6.283 -6.390 1.00 40.12 H new ATOM 0 HD11 LEU A 69 10.158 4.958 -6.650 1.00 51.41 H new ATOM 0 HD12 LEU A 69 9.456 4.758 -5.027 1.00 51.41 H new ATOM 0 HD13 LEU A 69 9.259 3.476 -6.245 1.00 51.41 H new ATOM 0 HD21 LEU A 69 8.736 5.435 -8.589 1.00 33.23 H new ATOM 0 HD22 LEU A 69 7.813 3.941 -8.300 1.00 33.23 H new ATOM 0 HD23 LEU A 69 6.965 5.501 -8.425 1.00 33.23 H new ATOM 1000 N ASN A 70 4.574 5.567 -3.851 1.00 64.21 N ATOM 1001 CA ASN A 70 3.744 5.331 -2.685 1.00 75.11 C ATOM 1002 C ASN A 70 2.258 5.481 -3.023 1.00 11.51 C ATOM 1003 O ASN A 70 1.462 4.612 -2.663 1.00 31.43 O ATOM 1004 CB ASN A 70 4.161 6.262 -1.539 1.00 10.24 C ATOM 1005 CG ASN A 70 3.891 5.688 -0.159 1.00 1.05 C ATOM 1006 OD1 ASN A 70 4.395 6.219 0.823 1.00 33.31 O ATOM 1007 ND2 ASN A 70 3.146 4.608 -0.024 1.00 32.02 N ATOM 0 H ASN A 70 5.229 6.340 -3.734 1.00 64.21 H new ATOM 0 HA ASN A 70 3.894 4.303 -2.356 1.00 75.11 H new ATOM 0 HB2 ASN A 70 5.225 6.482 -1.630 1.00 10.24 H new ATOM 0 HB3 ASN A 70 3.630 7.209 -1.640 1.00 10.24 H new ATOM 0 HD21 ASN A 70 2.987 4.211 0.902 1.00 32.02 H new ATOM 0 HD22 ASN A 70 2.729 4.170 -0.845 1.00 32.02 H new ATOM 1014 N MET A 71 1.878 6.556 -3.725 1.00 25.04 N ATOM 1015 CA MET A 71 0.497 6.805 -4.132 1.00 14.13 C ATOM 1016 C MET A 71 0.086 5.768 -5.175 1.00 31.15 C ATOM 1017 O MET A 71 -1.044 5.293 -5.124 1.00 52.41 O ATOM 1018 CB MET A 71 0.293 8.248 -4.624 1.00 60.13 C ATOM 1019 CG MET A 71 0.983 8.552 -5.957 1.00 60.32 C ATOM 1020 SD MET A 71 0.803 10.242 -6.586 1.00 34.55 S ATOM 1021 CE MET A 71 1.685 11.180 -5.304 1.00 62.35 C ATOM 0 H MET A 71 2.529 7.281 -4.027 1.00 25.04 H new ATOM 0 HA MET A 71 -0.154 6.699 -3.264 1.00 14.13 H new ATOM 0 HB2 MET A 71 -0.775 8.439 -4.727 1.00 60.13 H new ATOM 0 HB3 MET A 71 0.668 8.936 -3.867 1.00 60.13 H new ATOM 0 HG2 MET A 71 2.046 8.339 -5.848 1.00 60.32 H new ATOM 0 HG3 MET A 71 0.595 7.864 -6.708 1.00 60.32 H new ATOM 0 HE1 MET A 71 2.005 12.140 -5.710 1.00 62.35 H new ATOM 0 HE2 MET A 71 1.022 11.348 -4.455 1.00 62.35 H new ATOM 0 HE3 MET A 71 2.558 10.616 -4.976 1.00 62.35 H new ATOM 1031 N ALA A 72 0.993 5.370 -6.079 1.00 73.12 N ATOM 1032 CA ALA A 72 0.691 4.368 -7.091 1.00 20.53 C ATOM 1033 C ALA A 72 0.322 3.052 -6.420 1.00 5.11 C ATOM 1034 O ALA A 72 -0.417 2.270 -6.996 1.00 43.22 O ATOM 1035 CB ALA A 72 1.847 4.170 -8.061 1.00 5.42 C ATOM 0 H ALA A 72 1.945 5.734 -6.123 1.00 73.12 H new ATOM 0 HA ALA A 72 -0.157 4.726 -7.674 1.00 20.53 H new ATOM 0 HB1 ALA A 72 1.578 3.414 -8.798 1.00 5.42 H new ATOM 0 HB2 ALA A 72 2.062 5.111 -8.568 1.00 5.42 H new ATOM 0 HB3 ALA A 72 2.730 3.843 -7.512 1.00 5.42 H new ATOM 1041 N PHE A 73 0.837 2.750 -5.226 1.00 24.11 N ATOM 1042 CA PHE A 73 0.447 1.510 -4.579 1.00 64.12 C ATOM 1043 C PHE A 73 -1.021 1.600 -4.131 1.00 13.11 C ATOM 1044 O PHE A 73 -1.728 0.597 -4.129 1.00 41.54 O ATOM 1045 CB PHE A 73 1.348 1.224 -3.379 1.00 32.42 C ATOM 1046 CG PHE A 73 0.983 -0.083 -2.711 1.00 41.02 C ATOM 1047 CD1 PHE A 73 0.283 -0.075 -1.491 1.00 22.41 C ATOM 1048 CD2 PHE A 73 1.242 -1.300 -3.369 1.00 33.02 C ATOM 1049 CE1 PHE A 73 -0.171 -1.285 -0.936 1.00 41.12 C ATOM 1050 CE2 PHE A 73 0.779 -2.505 -2.819 1.00 61.13 C ATOM 1051 CZ PHE A 73 0.061 -2.494 -1.614 1.00 13.22 C ATOM 0 H PHE A 73 1.500 3.327 -4.709 1.00 24.11 H new ATOM 0 HA PHE A 73 0.556 0.692 -5.291 1.00 64.12 H new ATOM 0 HB2 PHE A 73 2.388 1.190 -3.703 1.00 32.42 H new ATOM 0 HB3 PHE A 73 1.265 2.038 -2.658 1.00 32.42 H new ATOM 0 HD1 PHE A 73 0.095 0.858 -0.981 1.00 22.41 H new ATOM 0 HD2 PHE A 73 1.796 -1.306 -4.296 1.00 33.02 H new ATOM 0 HE1 PHE A 73 -0.696 -1.285 0.008 1.00 41.12 H new ATOM 0 HE2 PHE A 73 0.975 -3.440 -3.323 1.00 61.13 H new ATOM 0 HZ PHE A 73 -0.316 -3.420 -1.205 1.00 13.22 H new ATOM 1061 N ALA A 74 -1.481 2.781 -3.709 1.00 20.45 N ATOM 1062 CA ALA A 74 -2.842 3.005 -3.242 1.00 32.01 C ATOM 1063 C ALA A 74 -3.869 3.129 -4.380 1.00 70.31 C ATOM 1064 O ALA A 74 -5.056 2.913 -4.129 1.00 24.31 O ATOM 1065 CB ALA A 74 -2.874 4.281 -2.394 1.00 24.44 C ATOM 0 H ALA A 74 -0.903 3.621 -3.684 1.00 20.45 H new ATOM 0 HA ALA A 74 -3.125 2.130 -2.657 1.00 32.01 H new ATOM 0 HB1 ALA A 74 -3.890 4.457 -2.040 1.00 24.44 H new ATOM 0 HB2 ALA A 74 -2.206 4.167 -1.540 1.00 24.44 H new ATOM 0 HB3 ALA A 74 -2.549 5.128 -2.998 1.00 24.44 H new ATOM 1071 N SER A 75 -3.475 3.474 -5.609 1.00 11.43 N ATOM 1072 CA SER A 75 -4.410 3.647 -6.721 1.00 40.22 C ATOM 1073 C SER A 75 -5.238 2.397 -7.037 1.00 14.45 C ATOM 1074 O SER A 75 -6.466 2.495 -7.097 1.00 44.43 O ATOM 1075 CB SER A 75 -3.678 4.233 -7.926 1.00 60.13 C ATOM 1076 OG SER A 75 -2.615 3.403 -8.322 1.00 34.15 O ATOM 0 H SER A 75 -2.500 3.641 -5.859 1.00 11.43 H new ATOM 0 HA SER A 75 -5.167 4.368 -6.413 1.00 40.22 H new ATOM 0 HB2 SER A 75 -4.375 4.357 -8.755 1.00 60.13 H new ATOM 0 HB3 SER A 75 -3.298 5.224 -7.678 1.00 60.13 H new ATOM 0 HG SER A 75 -1.962 3.338 -7.594 1.00 34.15 H new ATOM 1082 N SER A 76 -4.631 1.214 -7.178 1.00 72.31 N ATOM 1083 CA SER A 76 -5.399 -0.001 -7.467 1.00 14.54 C ATOM 1084 C SER A 76 -6.347 -0.291 -6.298 1.00 44.23 C ATOM 1085 O SER A 76 -7.478 -0.728 -6.504 1.00 75.51 O ATOM 1086 CB SER A 76 -4.459 -1.182 -7.731 1.00 74.11 C ATOM 1087 OG SER A 76 -5.174 -2.339 -8.096 1.00 21.45 O ATOM 0 H SER A 76 -3.624 1.072 -7.098 1.00 72.31 H new ATOM 0 HA SER A 76 -5.993 0.149 -8.369 1.00 14.54 H new ATOM 0 HB2 SER A 76 -3.758 -0.921 -8.524 1.00 74.11 H new ATOM 0 HB3 SER A 76 -3.868 -1.385 -6.838 1.00 74.11 H new ATOM 0 HG SER A 76 -4.768 -3.122 -7.669 1.00 21.45 H new ATOM 1093 N LEU A 77 -5.926 0.000 -5.056 1.00 40.03 N ATOM 1094 CA LEU A 77 -6.773 -0.237 -3.901 1.00 75.02 C ATOM 1095 C LEU A 77 -8.078 0.562 -3.982 1.00 4.54 C ATOM 1096 O LEU A 77 -9.055 0.123 -3.386 1.00 34.23 O ATOM 1097 CB LEU A 77 -6.038 0.048 -2.581 1.00 60.44 C ATOM 1098 CG LEU A 77 -5.185 -1.129 -2.070 1.00 41.01 C ATOM 1099 CD1 LEU A 77 -3.720 -1.033 -2.481 1.00 41.14 C ATOM 1100 CD2 LEU A 77 -5.197 -1.149 -0.545 1.00 61.52 C ATOM 0 H LEU A 77 -5.011 0.396 -4.839 1.00 40.03 H new ATOM 0 HA LEU A 77 -7.029 -1.297 -3.913 1.00 75.02 H new ATOM 0 HB2 LEU A 77 -5.395 0.917 -2.716 1.00 60.44 H new ATOM 0 HB3 LEU A 77 -6.771 0.310 -1.818 1.00 60.44 H new ATOM 0 HG LEU A 77 -5.625 -2.025 -2.509 1.00 41.01 H new ATOM 0 HD11 LEU A 77 -3.175 -1.892 -2.089 1.00 41.14 H new ATOM 0 HD12 LEU A 77 -3.647 -1.022 -3.569 1.00 41.14 H new ATOM 0 HD13 LEU A 77 -3.289 -0.116 -2.079 1.00 41.14 H new ATOM 0 HD21 LEU A 77 -4.593 -1.983 -0.187 1.00 61.52 H new ATOM 0 HD22 LEU A 77 -4.786 -0.214 -0.166 1.00 61.52 H new ATOM 0 HD23 LEU A 77 -6.221 -1.265 -0.191 1.00 61.52 H new ATOM 1112 N ALA A 78 -8.099 1.726 -4.643 1.00 51.44 N ATOM 1113 CA ALA A 78 -9.300 2.548 -4.790 1.00 75.35 C ATOM 1114 C ALA A 78 -10.250 1.888 -5.772 1.00 12.31 C ATOM 1115 O ALA A 78 -11.435 1.782 -5.476 1.00 13.03 O ATOM 1116 CB ALA A 78 -8.930 3.944 -5.303 1.00 62.14 C ATOM 0 H ALA A 78 -7.275 2.124 -5.093 1.00 51.44 H new ATOM 0 HA ALA A 78 -9.782 2.643 -3.817 1.00 75.35 H new ATOM 0 HB1 ALA A 78 -9.834 4.545 -5.408 1.00 62.14 H new ATOM 0 HB2 ALA A 78 -8.255 4.425 -4.595 1.00 62.14 H new ATOM 0 HB3 ALA A 78 -8.438 3.857 -6.272 1.00 62.14 H new ATOM 1122 N GLU A 79 -9.721 1.442 -6.911 1.00 45.41 N ATOM 1123 CA GLU A 79 -10.506 0.804 -7.948 1.00 70.02 C ATOM 1124 C GLU A 79 -11.164 -0.462 -7.418 1.00 32.14 C ATOM 1125 O GLU A 79 -12.390 -0.547 -7.413 1.00 64.12 O ATOM 1126 CB GLU A 79 -9.579 0.480 -9.125 1.00 64.20 C ATOM 1127 CG GLU A 79 -9.207 1.745 -9.898 1.00 5.43 C ATOM 1128 CD GLU A 79 -8.684 1.400 -11.289 1.00 31.12 C ATOM 1129 OE1 GLU A 79 -9.471 1.516 -12.257 1.00 32.35 O ATOM 1130 OE2 GLU A 79 -7.480 1.080 -11.416 1.00 13.14 O ATOM 0 H GLU A 79 -8.729 1.517 -7.134 1.00 45.41 H new ATOM 0 HA GLU A 79 -11.300 1.474 -8.277 1.00 70.02 H new ATOM 0 HB2 GLU A 79 -8.674 -0.004 -8.757 1.00 64.20 H new ATOM 0 HB3 GLU A 79 -10.069 -0.227 -9.794 1.00 64.20 H new ATOM 0 HG2 GLU A 79 -10.079 2.393 -9.984 1.00 5.43 H new ATOM 0 HG3 GLU A 79 -8.449 2.302 -9.348 1.00 5.43 H new ATOM 1137 N ILE A 80 -10.389 -1.393 -6.854 1.00 34.02 N ATOM 1138 CA ILE A 80 -10.950 -2.636 -6.326 1.00 61.24 C ATOM 1139 C ILE A 80 -11.946 -2.316 -5.202 1.00 34.20 C ATOM 1140 O ILE A 80 -12.989 -2.967 -5.092 1.00 2.22 O ATOM 1141 CB ILE A 80 -9.818 -3.601 -5.898 1.00 31.45 C ATOM 1142 CG1 ILE A 80 -8.808 -3.924 -7.030 1.00 35.22 C ATOM 1143 CG2 ILE A 80 -10.390 -4.915 -5.335 1.00 42.03 C ATOM 1144 CD1 ILE A 80 -9.412 -4.531 -8.303 1.00 30.03 C ATOM 0 H ILE A 80 -9.378 -1.309 -6.752 1.00 34.02 H new ATOM 0 HA ILE A 80 -11.509 -3.158 -7.103 1.00 61.24 H new ATOM 0 HB ILE A 80 -9.270 -3.069 -5.120 1.00 31.45 H new ATOM 0 HG12 ILE A 80 -8.285 -3.006 -7.299 1.00 35.22 H new ATOM 0 HG13 ILE A 80 -8.060 -4.614 -6.639 1.00 35.22 H new ATOM 0 HG21 ILE A 80 -9.571 -5.573 -5.043 1.00 42.03 H new ATOM 0 HG22 ILE A 80 -11.010 -4.699 -4.465 1.00 42.03 H new ATOM 0 HG23 ILE A 80 -10.994 -5.405 -6.098 1.00 42.03 H new ATOM 0 HD11 ILE A 80 -8.620 -4.718 -9.028 1.00 30.03 H new ATOM 0 HD12 ILE A 80 -9.909 -5.470 -8.058 1.00 30.03 H new ATOM 0 HD13 ILE A 80 -10.137 -3.837 -8.728 1.00 30.03 H new ATOM 1156 N ALA A 81 -11.661 -1.299 -4.379 1.00 2.15 N ATOM 1157 CA ALA A 81 -12.552 -0.932 -3.296 1.00 53.52 C ATOM 1158 C ALA A 81 -13.889 -0.379 -3.787 1.00 14.22 C ATOM 1159 O ALA A 81 -14.918 -0.681 -3.162 1.00 64.42 O ATOM 1160 CB ALA A 81 -11.892 0.081 -2.351 1.00 23.12 C ATOM 0 H ALA A 81 -10.822 -0.724 -4.450 1.00 2.15 H new ATOM 0 HA ALA A 81 -12.756 -1.855 -2.753 1.00 53.52 H new ATOM 0 HB1 ALA A 81 -12.585 0.336 -1.550 1.00 23.12 H new ATOM 0 HB2 ALA A 81 -10.989 -0.355 -1.924 1.00 23.12 H new ATOM 0 HB3 ALA A 81 -11.633 0.982 -2.907 1.00 23.12 H new ATOM 1166 N ALA A 82 -13.872 0.409 -4.866 1.00 44.34 N ATOM 1167 CA ALA A 82 -15.047 1.030 -5.455 1.00 4.40 C ATOM 1168 C ALA A 82 -15.843 0.027 -6.278 1.00 32.51 C ATOM 1169 O ALA A 82 -17.074 0.114 -6.300 1.00 43.34 O ATOM 1170 CB ALA A 82 -14.614 2.202 -6.345 1.00 61.32 C ATOM 0 H ALA A 82 -13.011 0.635 -5.364 1.00 44.34 H new ATOM 0 HA ALA A 82 -15.686 1.392 -4.650 1.00 4.40 H new ATOM 0 HB1 ALA A 82 -15.495 2.668 -6.787 1.00 61.32 H new ATOM 0 HB2 ALA A 82 -14.078 2.936 -5.744 1.00 61.32 H new ATOM 0 HB3 ALA A 82 -13.961 1.835 -7.137 1.00 61.32 H new ATOM 1176 N SER A 83 -15.184 -0.968 -6.882 1.00 12.43 N ATOM 1177 CA SER A 83 -15.803 -2.011 -7.688 1.00 10.52 C ATOM 1178 C SER A 83 -16.779 -2.884 -6.882 1.00 0.31 C ATOM 1179 O SER A 83 -17.560 -3.629 -7.480 1.00 42.14 O ATOM 1180 CB SER A 83 -14.708 -2.866 -8.318 1.00 64.41 C ATOM 1181 OG SER A 83 -13.972 -2.138 -9.274 1.00 1.12 O ATOM 0 H SER A 83 -14.171 -1.067 -6.817 1.00 12.43 H new ATOM 0 HA SER A 83 -16.397 -1.529 -8.465 1.00 10.52 H new ATOM 0 HB2 SER A 83 -14.037 -3.231 -7.541 1.00 64.41 H new ATOM 0 HB3 SER A 83 -15.154 -3.741 -8.790 1.00 64.41 H new ATOM 0 HG SER A 83 -13.361 -1.523 -8.817 1.00 1.12 H new ATOM 1187 N GLU A 84 -16.746 -2.789 -5.549 1.00 53.43 N ATOM 1188 CA GLU A 84 -17.589 -3.496 -4.599 1.00 34.12 C ATOM 1189 C GLU A 84 -17.632 -5.011 -4.870 1.00 24.34 C ATOM 1190 O GLU A 84 -18.690 -5.631 -4.977 1.00 13.41 O ATOM 1191 CB GLU A 84 -18.965 -2.802 -4.578 1.00 75.22 C ATOM 1192 CG GLU A 84 -19.806 -3.177 -3.355 1.00 75.12 C ATOM 1193 CD GLU A 84 -19.321 -2.487 -2.085 1.00 52.10 C ATOM 1194 OE1 GLU A 84 -18.326 -2.968 -1.484 1.00 43.51 O ATOM 1195 OE2 GLU A 84 -19.955 -1.472 -1.709 1.00 2.51 O ATOM 0 H GLU A 84 -16.082 -2.172 -5.081 1.00 53.43 H new ATOM 0 HA GLU A 84 -17.170 -3.438 -3.595 1.00 34.12 H new ATOM 0 HB2 GLU A 84 -18.821 -1.722 -4.596 1.00 75.22 H new ATOM 0 HB3 GLU A 84 -19.512 -3.065 -5.483 1.00 75.22 H new ATOM 0 HG2 GLU A 84 -20.847 -2.909 -3.537 1.00 75.12 H new ATOM 0 HG3 GLU A 84 -19.775 -4.257 -3.213 1.00 75.12 H new ATOM 1202 N GLU A 85 -16.459 -5.636 -4.904 1.00 22.33 N ATOM 1203 CA GLU A 85 -16.271 -7.069 -5.170 1.00 13.31 C ATOM 1204 C GLU A 85 -15.499 -7.821 -4.079 1.00 13.33 C ATOM 1205 O GLU A 85 -15.145 -8.986 -4.263 1.00 23.25 O ATOM 1206 CB GLU A 85 -15.658 -7.221 -6.569 1.00 34.33 C ATOM 1207 CG GLU A 85 -14.275 -6.556 -6.718 1.00 22.12 C ATOM 1208 CD GLU A 85 -13.889 -6.347 -8.183 1.00 11.25 C ATOM 1209 OE1 GLU A 85 -14.787 -6.070 -9.012 1.00 22.52 O ATOM 1210 OE2 GLU A 85 -12.686 -6.354 -8.519 1.00 74.15 O ATOM 0 H GLU A 85 -15.579 -5.147 -4.742 1.00 22.33 H new ATOM 0 HA GLU A 85 -17.247 -7.555 -5.146 1.00 13.31 H new ATOM 0 HB2 GLU A 85 -15.568 -8.282 -6.803 1.00 34.33 H new ATOM 0 HB3 GLU A 85 -16.339 -6.790 -7.303 1.00 34.33 H new ATOM 0 HG2 GLU A 85 -14.279 -5.595 -6.204 1.00 22.12 H new ATOM 0 HG3 GLU A 85 -13.522 -7.175 -6.230 1.00 22.12 H new ATOM 1217 N GLY A 86 -15.201 -7.163 -2.957 1.00 54.44 N ATOM 1218 CA GLY A 86 -14.497 -7.743 -1.827 1.00 63.33 C ATOM 1219 C GLY A 86 -15.502 -7.930 -0.704 1.00 63.31 C ATOM 1220 O GLY A 86 -16.300 -8.873 -0.730 1.00 50.24 O ATOM 0 H GLY A 86 -15.453 -6.185 -2.812 1.00 54.44 H new ATOM 0 HA2 GLY A 86 -14.051 -8.698 -2.104 1.00 63.33 H new ATOM 0 HA3 GLY A 86 -13.684 -7.091 -1.508 1.00 63.33 H new ATOM 1224 N GLY A 87 -15.503 -7.017 0.264 1.00 44.21 N ATOM 1225 CA GLY A 87 -16.401 -7.047 1.395 1.00 24.44 C ATOM 1226 C GLY A 87 -16.400 -5.707 2.113 1.00 74.32 C ATOM 1227 O GLY A 87 -15.415 -4.969 2.078 1.00 22.00 O ATOM 0 H GLY A 87 -14.863 -6.223 0.276 1.00 44.21 H new ATOM 0 HA2 GLY A 87 -17.410 -7.285 1.059 1.00 24.44 H new ATOM 0 HA3 GLY A 87 -16.100 -7.836 2.085 1.00 24.44 H new ATOM 1231 N GLY A 88 -17.497 -5.433 2.820 1.00 62.31 N ATOM 1232 CA GLY A 88 -17.716 -4.207 3.565 1.00 3.12 C ATOM 1233 C GLY A 88 -17.951 -3.022 2.626 1.00 42.01 C ATOM 1234 O GLY A 88 -17.530 -3.029 1.464 1.00 72.02 O ATOM 0 H GLY A 88 -18.279 -6.084 2.888 1.00 62.31 H new ATOM 0 HA2 GLY A 88 -18.576 -4.328 4.224 1.00 3.12 H new ATOM 0 HA3 GLY A 88 -16.853 -4.005 4.200 1.00 3.12 H new ATOM 1238 N SER A 89 -18.599 -1.974 3.134 1.00 54.33 N ATOM 1239 CA SER A 89 -18.868 -0.765 2.361 1.00 74.22 C ATOM 1240 C SER A 89 -17.520 -0.124 1.989 1.00 75.24 C ATOM 1241 O SER A 89 -16.504 -0.453 2.607 1.00 15.01 O ATOM 1242 CB SER A 89 -19.750 0.183 3.187 1.00 22.44 C ATOM 1243 OG SER A 89 -20.742 -0.540 3.910 1.00 55.33 O ATOM 0 H SER A 89 -18.951 -1.940 4.091 1.00 54.33 H new ATOM 0 HA SER A 89 -19.409 -0.994 1.443 1.00 74.22 H new ATOM 0 HB2 SER A 89 -19.130 0.749 3.882 1.00 22.44 H new ATOM 0 HB3 SER A 89 -20.231 0.905 2.527 1.00 22.44 H new ATOM 0 HG SER A 89 -21.289 0.086 4.429 1.00 55.33 H new ATOM 1249 N LEU A 90 -17.452 0.793 1.022 1.00 71.40 N ATOM 1250 CA LEU A 90 -16.188 1.425 0.618 1.00 72.33 C ATOM 1251 C LEU A 90 -15.498 2.054 1.842 1.00 53.03 C ATOM 1252 O LEU A 90 -14.348 1.723 2.124 1.00 62.15 O ATOM 1253 CB LEU A 90 -16.426 2.395 -0.555 1.00 2.00 C ATOM 1254 CG LEU A 90 -15.246 2.524 -1.542 1.00 43.41 C ATOM 1255 CD1 LEU A 90 -15.677 3.384 -2.729 1.00 63.42 C ATOM 1256 CD2 LEU A 90 -13.989 3.116 -0.915 1.00 44.45 C ATOM 0 H LEU A 90 -18.264 1.119 0.498 1.00 71.40 H new ATOM 0 HA LEU A 90 -15.492 0.677 0.239 1.00 72.33 H new ATOM 0 HB2 LEU A 90 -17.307 2.066 -1.106 1.00 2.00 H new ATOM 0 HB3 LEU A 90 -16.652 3.382 -0.151 1.00 2.00 H new ATOM 0 HG LEU A 90 -14.988 1.514 -1.861 1.00 43.41 H new ATOM 0 HD11 LEU A 90 -14.848 3.479 -3.430 1.00 63.42 H new ATOM 0 HD12 LEU A 90 -16.524 2.915 -3.230 1.00 63.42 H new ATOM 0 HD13 LEU A 90 -15.968 4.373 -2.375 1.00 63.42 H new ATOM 0 HD21 LEU A 90 -13.202 3.177 -1.666 1.00 44.45 H new ATOM 0 HD22 LEU A 90 -14.207 4.114 -0.536 1.00 44.45 H new ATOM 0 HD23 LEU A 90 -13.658 2.480 -0.094 1.00 44.45 H new ATOM 1268 N SER A 91 -16.235 2.818 2.655 1.00 45.41 N ATOM 1269 CA SER A 91 -15.765 3.482 3.876 1.00 11.22 C ATOM 1270 C SER A 91 -15.273 2.462 4.928 1.00 1.21 C ATOM 1271 O SER A 91 -14.438 2.770 5.790 1.00 54.11 O ATOM 1272 CB SER A 91 -16.916 4.379 4.375 1.00 44.52 C ATOM 1273 OG SER A 91 -16.602 5.156 5.521 1.00 75.55 O ATOM 0 H SER A 91 -17.222 2.999 2.471 1.00 45.41 H new ATOM 0 HA SER A 91 -14.891 4.102 3.675 1.00 11.22 H new ATOM 0 HB2 SER A 91 -17.214 5.049 3.568 1.00 44.52 H new ATOM 0 HB3 SER A 91 -17.777 3.751 4.602 1.00 44.52 H new ATOM 0 HG SER A 91 -17.380 5.696 5.773 1.00 75.55 H new ATOM 1279 N THR A 92 -15.806 1.242 4.907 1.00 75.33 N ATOM 1280 CA THR A 92 -15.420 0.176 5.820 1.00 1.53 C ATOM 1281 C THR A 92 -14.092 -0.404 5.316 1.00 33.45 C ATOM 1282 O THR A 92 -13.105 -0.521 6.044 1.00 53.14 O ATOM 1283 CB THR A 92 -16.530 -0.894 5.846 1.00 3.30 C ATOM 1284 OG1 THR A 92 -17.806 -0.293 5.985 1.00 55.11 O ATOM 1285 CG2 THR A 92 -16.334 -1.911 6.965 1.00 12.24 C ATOM 0 H THR A 92 -16.529 0.965 4.243 1.00 75.33 H new ATOM 0 HA THR A 92 -15.290 0.544 6.838 1.00 1.53 H new ATOM 0 HB THR A 92 -16.469 -1.421 4.894 1.00 3.30 H new ATOM 0 HG1 THR A 92 -18.496 -0.989 5.998 1.00 55.11 H new ATOM 0 HG21 THR A 92 -17.143 -2.642 6.938 1.00 12.24 H new ATOM 0 HG22 THR A 92 -15.380 -2.421 6.830 1.00 12.24 H new ATOM 0 HG23 THR A 92 -16.339 -1.399 7.927 1.00 12.24 H new ATOM 1293 N LYS A 93 -14.067 -0.747 4.030 1.00 4.30 N ATOM 1294 CA LYS A 93 -12.958 -1.325 3.296 1.00 2.33 C ATOM 1295 C LYS A 93 -11.698 -0.469 3.430 1.00 31.34 C ATOM 1296 O LYS A 93 -10.648 -1.009 3.784 1.00 61.15 O ATOM 1297 CB LYS A 93 -13.437 -1.480 1.847 1.00 25.11 C ATOM 1298 CG LYS A 93 -12.738 -2.601 1.090 1.00 2.14 C ATOM 1299 CD LYS A 93 -13.254 -2.632 -0.352 1.00 1.43 C ATOM 1300 CE LYS A 93 -14.656 -3.223 -0.572 1.00 23.53 C ATOM 1301 NZ LYS A 93 -15.744 -2.217 -0.654 1.00 4.15 N ATOM 0 H LYS A 93 -14.885 -0.616 3.435 1.00 4.30 H new ATOM 0 HA LYS A 93 -12.671 -2.298 3.694 1.00 2.33 H new ATOM 0 HB2 LYS A 93 -14.511 -1.667 1.846 1.00 25.11 H new ATOM 0 HB3 LYS A 93 -13.277 -0.541 1.318 1.00 25.11 H new ATOM 0 HG2 LYS A 93 -11.659 -2.445 1.100 1.00 2.14 H new ATOM 0 HG3 LYS A 93 -12.926 -3.558 1.577 1.00 2.14 H new ATOM 0 HD2 LYS A 93 -13.251 -1.612 -0.736 1.00 1.43 H new ATOM 0 HD3 LYS A 93 -12.546 -3.202 -0.954 1.00 1.43 H new ATOM 0 HE2 LYS A 93 -14.649 -3.808 -1.492 1.00 23.53 H new ATOM 0 HE3 LYS A 93 -14.877 -3.913 0.242 1.00 23.53 H new ATOM 0 HZ1 LYS A 93 -16.629 -2.685 -0.936 1.00 4.15 H new ATOM 0 HZ2 LYS A 93 -15.871 -1.767 0.275 1.00 4.15 H new ATOM 0 HZ3 LYS A 93 -15.495 -1.493 -1.358 1.00 4.15 H new ATOM 1315 N THR A 94 -11.792 0.844 3.190 1.00 62.52 N ATOM 1316 CA THR A 94 -10.678 1.789 3.284 1.00 23.11 C ATOM 1317 C THR A 94 -10.022 1.704 4.661 1.00 1.44 C ATOM 1318 O THR A 94 -8.792 1.693 4.759 1.00 15.51 O ATOM 1319 CB THR A 94 -11.160 3.221 2.988 1.00 53.21 C ATOM 1320 OG1 THR A 94 -12.396 3.466 3.620 1.00 45.22 O ATOM 1321 CG2 THR A 94 -11.299 3.423 1.483 1.00 73.25 C ATOM 0 H THR A 94 -12.669 1.288 2.918 1.00 62.52 H new ATOM 0 HA THR A 94 -9.931 1.524 2.536 1.00 23.11 H new ATOM 0 HB THR A 94 -10.423 3.923 3.378 1.00 53.21 H new ATOM 0 HG1 THR A 94 -12.688 4.381 3.424 1.00 45.22 H new ATOM 0 HG21 THR A 94 -11.640 4.438 1.282 1.00 73.25 H new ATOM 0 HG22 THR A 94 -10.333 3.263 1.004 1.00 73.25 H new ATOM 0 HG23 THR A 94 -12.023 2.712 1.086 1.00 73.25 H new ATOM 1329 N SER A 95 -10.836 1.613 5.713 1.00 51.33 N ATOM 1330 CA SER A 95 -10.393 1.518 7.092 1.00 3.42 C ATOM 1331 C SER A 95 -9.726 0.170 7.381 1.00 40.32 C ATOM 1332 O SER A 95 -8.699 0.129 8.055 1.00 2.52 O ATOM 1333 CB SER A 95 -11.603 1.746 7.995 1.00 71.42 C ATOM 1334 OG SER A 95 -12.160 3.029 7.736 1.00 23.11 O ATOM 0 H SER A 95 -11.852 1.604 5.619 1.00 51.33 H new ATOM 0 HA SER A 95 -9.636 2.278 7.286 1.00 3.42 H new ATOM 0 HB2 SER A 95 -12.351 0.972 7.820 1.00 71.42 H new ATOM 0 HB3 SER A 95 -11.307 1.672 9.041 1.00 71.42 H new ATOM 0 HG SER A 95 -12.911 2.940 7.113 1.00 23.11 H new ATOM 1340 N SER A 96 -10.262 -0.920 6.828 1.00 21.31 N ATOM 1341 CA SER A 96 -9.745 -2.273 6.998 1.00 73.23 C ATOM 1342 C SER A 96 -8.254 -2.335 6.643 1.00 72.04 C ATOM 1343 O SER A 96 -7.435 -2.876 7.389 1.00 33.44 O ATOM 1344 CB SER A 96 -10.582 -3.211 6.117 1.00 44.43 C ATOM 1345 OG SER A 96 -10.738 -4.460 6.732 1.00 31.44 O ATOM 0 H SER A 96 -11.090 -0.881 6.234 1.00 21.31 H new ATOM 0 HA SER A 96 -9.827 -2.585 8.039 1.00 73.23 H new ATOM 0 HB2 SER A 96 -11.560 -2.767 5.931 1.00 44.43 H new ATOM 0 HB3 SER A 96 -10.099 -3.335 5.148 1.00 44.43 H new ATOM 0 HG SER A 96 -10.359 -5.157 6.157 1.00 31.44 H new ATOM 1351 N ILE A 97 -7.894 -1.727 5.512 1.00 12.41 N ATOM 1352 CA ILE A 97 -6.535 -1.662 4.999 1.00 20.23 C ATOM 1353 C ILE A 97 -5.589 -1.030 6.022 1.00 5.11 C ATOM 1354 O ILE A 97 -4.473 -1.521 6.150 1.00 3.30 O ATOM 1355 CB ILE A 97 -6.559 -0.876 3.682 1.00 3.54 C ATOM 1356 CG1 ILE A 97 -7.314 -1.686 2.605 1.00 44.23 C ATOM 1357 CG2 ILE A 97 -5.167 -0.502 3.157 1.00 41.24 C ATOM 1358 CD1 ILE A 97 -8.118 -0.802 1.650 1.00 42.30 C ATOM 0 H ILE A 97 -8.567 -1.252 4.911 1.00 12.41 H new ATOM 0 HA ILE A 97 -6.156 -2.667 4.813 1.00 20.23 H new ATOM 0 HB ILE A 97 -7.072 0.061 3.896 1.00 3.54 H new ATOM 0 HG12 ILE A 97 -6.598 -2.274 2.031 1.00 44.23 H new ATOM 0 HG13 ILE A 97 -7.987 -2.391 3.093 1.00 44.23 H new ATOM 0 HG21 ILE A 97 -5.267 0.052 2.223 1.00 41.24 H new ATOM 0 HG22 ILE A 97 -4.655 0.118 3.893 1.00 41.24 H new ATOM 0 HG23 ILE A 97 -4.589 -1.409 2.981 1.00 41.24 H new ATOM 0 HD11 ILE A 97 -8.626 -1.427 0.916 1.00 42.30 H new ATOM 0 HD12 ILE A 97 -8.856 -0.233 2.215 1.00 42.30 H new ATOM 0 HD13 ILE A 97 -7.445 -0.115 1.137 1.00 42.30 H new ATOM 1370 N ALA A 98 -5.981 0.021 6.758 1.00 13.30 N ATOM 1371 CA ALA A 98 -5.086 0.636 7.743 1.00 12.43 C ATOM 1372 C ALA A 98 -4.647 -0.373 8.801 1.00 64.24 C ATOM 1373 O ALA A 98 -3.512 -0.341 9.288 1.00 52.41 O ATOM 1374 CB ALA A 98 -5.757 1.804 8.467 1.00 13.54 C ATOM 0 H ALA A 98 -6.901 0.457 6.690 1.00 13.30 H new ATOM 0 HA ALA A 98 -4.223 0.995 7.182 1.00 12.43 H new ATOM 0 HB1 ALA A 98 -5.061 2.233 9.188 1.00 13.54 H new ATOM 0 HB2 ALA A 98 -6.043 2.566 7.742 1.00 13.54 H new ATOM 0 HB3 ALA A 98 -6.646 1.447 8.988 1.00 13.54 H new ATOM 1380 N SER A 99 -5.569 -1.254 9.178 1.00 21.41 N ATOM 1381 CA SER A 99 -5.296 -2.272 10.179 1.00 23.13 C ATOM 1382 C SER A 99 -4.275 -3.261 9.596 1.00 30.12 C ATOM 1383 O SER A 99 -3.309 -3.623 10.275 1.00 12.42 O ATOM 1384 CB SER A 99 -6.624 -2.897 10.626 1.00 73.24 C ATOM 1385 OG SER A 99 -6.585 -3.379 11.958 1.00 44.43 O ATOM 0 H SER A 99 -6.516 -1.280 8.801 1.00 21.41 H new ATOM 0 HA SER A 99 -4.844 -1.864 11.083 1.00 23.13 H new ATOM 0 HB2 SER A 99 -7.417 -2.155 10.536 1.00 73.24 H new ATOM 0 HB3 SER A 99 -6.878 -3.718 9.955 1.00 73.24 H new ATOM 0 HG SER A 99 -7.455 -3.765 12.192 1.00 44.43 H new ATOM 1391 N ALA A 100 -4.442 -3.653 8.325 1.00 32.31 N ATOM 1392 CA ALA A 100 -3.524 -4.571 7.660 1.00 41.44 C ATOM 1393 C ALA A 100 -2.152 -3.916 7.438 1.00 33.35 C ATOM 1394 O ALA A 100 -1.123 -4.571 7.567 1.00 21.44 O ATOM 1395 CB ALA A 100 -4.139 -5.050 6.341 1.00 44.04 C ATOM 0 H ALA A 100 -5.215 -3.341 7.737 1.00 32.31 H new ATOM 0 HA ALA A 100 -3.363 -5.438 8.301 1.00 41.44 H new ATOM 0 HB1 ALA A 100 -3.451 -5.736 5.847 1.00 44.04 H new ATOM 0 HB2 ALA A 100 -5.079 -5.563 6.543 1.00 44.04 H new ATOM 0 HB3 ALA A 100 -4.325 -4.193 5.694 1.00 44.04 H new ATOM 1401 N LEU A 101 -2.118 -2.617 7.137 1.00 65.11 N ATOM 1402 CA LEU A 101 -0.890 -1.858 6.912 1.00 22.45 C ATOM 1403 C LEU A 101 -0.092 -1.779 8.201 1.00 54.21 C ATOM 1404 O LEU A 101 1.126 -1.934 8.159 1.00 42.33 O ATOM 1405 CB LEU A 101 -1.210 -0.438 6.438 1.00 63.12 C ATOM 1406 CG LEU A 101 -1.617 -0.384 4.963 1.00 63.22 C ATOM 1407 CD1 LEU A 101 -2.266 0.965 4.663 1.00 12.04 C ATOM 1408 CD2 LEU A 101 -0.435 -0.583 4.021 1.00 73.44 C ATOM 0 H LEU A 101 -2.962 -2.053 7.041 1.00 65.11 H new ATOM 0 HA LEU A 101 -0.309 -2.368 6.143 1.00 22.45 H new ATOM 0 HB2 LEU A 101 -2.015 -0.029 7.048 1.00 63.12 H new ATOM 0 HB3 LEU A 101 -0.338 0.197 6.593 1.00 63.12 H new ATOM 0 HG LEU A 101 -2.318 -1.201 4.793 1.00 63.22 H new ATOM 0 HD11 LEU A 101 -2.556 1.004 3.613 1.00 12.04 H new ATOM 0 HD12 LEU A 101 -3.150 1.091 5.288 1.00 12.04 H new ATOM 0 HD13 LEU A 101 -1.556 1.765 4.873 1.00 12.04 H new ATOM 0 HD21 LEU A 101 -0.781 -0.535 2.988 1.00 73.44 H new ATOM 0 HD22 LEU A 101 0.303 0.200 4.193 1.00 73.44 H new ATOM 0 HD23 LEU A 101 0.019 -1.556 4.207 1.00 73.44 H new ATOM 1420 N SER A 102 -0.765 -1.534 9.329 1.00 11.02 N ATOM 1421 CA SER A 102 -0.118 -1.455 10.632 1.00 54.04 C ATOM 1422 C SER A 102 0.632 -2.770 10.859 1.00 11.44 C ATOM 1423 O SER A 102 1.834 -2.766 11.118 1.00 53.53 O ATOM 1424 CB SER A 102 -1.164 -1.157 11.713 1.00 71.04 C ATOM 1425 OG SER A 102 -1.830 0.070 11.447 1.00 1.31 O ATOM 0 H SER A 102 -1.774 -1.386 9.359 1.00 11.02 H new ATOM 0 HA SER A 102 0.604 -0.639 10.679 1.00 54.04 H new ATOM 0 HB2 SER A 102 -1.891 -1.968 11.756 1.00 71.04 H new ATOM 0 HB3 SER A 102 -0.681 -1.110 12.689 1.00 71.04 H new ATOM 0 HG SER A 102 -2.422 -0.040 10.674 1.00 1.31 H new ATOM 1431 N ASN A 103 -0.067 -3.892 10.675 1.00 33.43 N ATOM 1432 CA ASN A 103 0.479 -5.236 10.815 1.00 14.23 C ATOM 1433 C ASN A 103 1.674 -5.418 9.868 1.00 14.31 C ATOM 1434 O ASN A 103 2.727 -5.885 10.292 1.00 43.32 O ATOM 1435 CB ASN A 103 -0.657 -6.233 10.544 1.00 11.30 C ATOM 1436 CG ASN A 103 -0.204 -7.678 10.423 1.00 54.11 C ATOM 1437 OD1 ASN A 103 0.789 -8.107 10.999 1.00 32.12 O ATOM 1438 ND2 ASN A 103 -0.921 -8.465 9.645 1.00 42.24 N ATOM 0 H ASN A 103 -1.054 -3.887 10.418 1.00 33.43 H new ATOM 0 HA ASN A 103 0.859 -5.411 11.821 1.00 14.23 H new ATOM 0 HB2 ASN A 103 -1.389 -6.160 11.349 1.00 11.30 H new ATOM 0 HB3 ASN A 103 -1.165 -5.945 9.624 1.00 11.30 H new ATOM 0 HD21 ASN A 103 -0.651 -9.440 9.518 1.00 42.24 H new ATOM 0 HD22 ASN A 103 -1.746 -8.098 9.170 1.00 42.24 H new ATOM 1445 N ALA A 104 1.550 -5.001 8.603 1.00 10.45 N ATOM 1446 CA ALA A 104 2.622 -5.110 7.616 1.00 71.20 C ATOM 1447 C ALA A 104 3.886 -4.350 8.054 1.00 64.20 C ATOM 1448 O ALA A 104 4.993 -4.810 7.785 1.00 23.22 O ATOM 1449 CB ALA A 104 2.129 -4.620 6.249 1.00 22.31 C ATOM 0 H ALA A 104 0.698 -4.577 8.237 1.00 10.45 H new ATOM 0 HA ALA A 104 2.898 -6.161 7.535 1.00 71.20 H new ATOM 0 HB1 ALA A 104 2.935 -4.705 5.520 1.00 22.31 H new ATOM 0 HB2 ALA A 104 1.283 -5.228 5.928 1.00 22.31 H new ATOM 0 HB3 ALA A 104 1.818 -3.578 6.326 1.00 22.31 H new ATOM 1455 N PHE A 105 3.733 -3.197 8.717 1.00 44.33 N ATOM 1456 CA PHE A 105 4.838 -2.370 9.212 1.00 32.45 C ATOM 1457 C PHE A 105 5.559 -3.127 10.335 1.00 52.21 C ATOM 1458 O PHE A 105 6.791 -3.253 10.350 1.00 73.14 O ATOM 1459 CB PHE A 105 4.296 -1.016 9.725 1.00 32.02 C ATOM 1460 CG PHE A 105 5.074 0.208 9.276 1.00 42.52 C ATOM 1461 CD1 PHE A 105 6.446 0.334 9.566 1.00 44.33 C ATOM 1462 CD2 PHE A 105 4.412 1.251 8.598 1.00 5.42 C ATOM 1463 CE1 PHE A 105 7.143 1.496 9.192 1.00 21.21 C ATOM 1464 CE2 PHE A 105 5.109 2.414 8.227 1.00 2.33 C ATOM 1465 CZ PHE A 105 6.476 2.537 8.526 1.00 10.15 C ATOM 0 H PHE A 105 2.815 -2.805 8.929 1.00 44.33 H new ATOM 0 HA PHE A 105 5.543 -2.168 8.405 1.00 32.45 H new ATOM 0 HB2 PHE A 105 3.262 -0.909 9.396 1.00 32.02 H new ATOM 0 HB3 PHE A 105 4.283 -1.038 10.815 1.00 32.02 H new ATOM 0 HD1 PHE A 105 6.964 -0.464 10.077 1.00 44.33 H new ATOM 0 HD2 PHE A 105 3.362 1.156 8.362 1.00 5.42 H new ATOM 0 HE1 PHE A 105 8.195 1.589 9.418 1.00 21.21 H new ATOM 0 HE2 PHE A 105 4.594 3.212 7.713 1.00 2.33 H new ATOM 0 HZ PHE A 105 7.013 3.431 8.244 1.00 10.15 H new ATOM 1475 N LEU A 106 4.773 -3.666 11.274 1.00 74.55 N ATOM 1476 CA LEU A 106 5.290 -4.421 12.405 1.00 52.12 C ATOM 1477 C LEU A 106 6.011 -5.678 11.925 1.00 5.42 C ATOM 1478 O LEU A 106 7.005 -6.059 12.537 1.00 35.41 O ATOM 1479 CB LEU A 106 4.173 -4.791 13.396 1.00 1.33 C ATOM 1480 CG LEU A 106 3.453 -3.591 14.045 1.00 62.45 C ATOM 1481 CD1 LEU A 106 2.403 -4.094 15.025 1.00 53.43 C ATOM 1482 CD2 LEU A 106 4.392 -2.664 14.809 1.00 51.11 C ATOM 0 H LEU A 106 3.756 -3.586 11.264 1.00 74.55 H new ATOM 0 HA LEU A 106 6.002 -3.784 12.929 1.00 52.12 H new ATOM 0 HB2 LEU A 106 3.434 -5.401 12.876 1.00 1.33 H new ATOM 0 HB3 LEU A 106 4.599 -5.410 14.186 1.00 1.33 H new ATOM 0 HG LEU A 106 3.009 -3.025 13.226 1.00 62.45 H new ATOM 0 HD11 LEU A 106 1.896 -3.245 15.482 1.00 53.43 H new ATOM 0 HD12 LEU A 106 1.676 -4.709 14.495 1.00 53.43 H new ATOM 0 HD13 LEU A 106 2.885 -4.689 15.801 1.00 53.43 H new ATOM 0 HD21 LEU A 106 3.821 -1.842 15.240 1.00 51.11 H new ATOM 0 HD22 LEU A 106 4.884 -3.221 15.606 1.00 51.11 H new ATOM 0 HD23 LEU A 106 5.144 -2.265 14.128 1.00 51.11 H new ATOM 1494 N GLN A 107 5.565 -6.299 10.832 1.00 31.30 N ATOM 1495 CA GLN A 107 6.180 -7.501 10.280 1.00 53.12 C ATOM 1496 C GLN A 107 7.566 -7.264 9.667 1.00 2.54 C ATOM 1497 O GLN A 107 8.219 -8.248 9.323 1.00 73.14 O ATOM 1498 CB GLN A 107 5.263 -8.129 9.226 1.00 71.22 C ATOM 1499 CG GLN A 107 4.111 -8.943 9.820 1.00 70.02 C ATOM 1500 CD GLN A 107 3.270 -9.543 8.693 1.00 63.02 C ATOM 1501 OE1 GLN A 107 3.773 -10.295 7.857 1.00 43.00 O ATOM 1502 NE2 GLN A 107 2.007 -9.189 8.582 1.00 74.12 N ATOM 0 H GLN A 107 4.757 -5.975 10.301 1.00 31.30 H new ATOM 0 HA GLN A 107 6.319 -8.177 11.124 1.00 53.12 H new ATOM 0 HB2 GLN A 107 4.852 -7.339 8.598 1.00 71.22 H new ATOM 0 HB3 GLN A 107 5.857 -8.775 8.579 1.00 71.22 H new ATOM 0 HG2 GLN A 107 4.504 -9.736 10.456 1.00 70.02 H new ATOM 0 HG3 GLN A 107 3.490 -8.307 10.451 1.00 70.02 H new ATOM 0 HE21 GLN A 107 1.589 -8.566 9.274 1.00 74.12 H new ATOM 0 HE22 GLN A 107 1.446 -9.537 7.804 1.00 74.12 H new ATOM 1511 N THR A 108 8.035 -6.022 9.513 1.00 12.01 N ATOM 1512 CA THR A 108 9.357 -5.764 8.941 1.00 51.22 C ATOM 1513 C THR A 108 10.267 -5.002 9.897 1.00 12.01 C ATOM 1514 O THR A 108 11.469 -5.279 9.928 1.00 43.53 O ATOM 1515 CB THR A 108 9.240 -5.053 7.586 1.00 14.33 C ATOM 1516 OG1 THR A 108 8.490 -3.857 7.695 1.00 1.15 O ATOM 1517 CG2 THR A 108 8.592 -5.954 6.533 1.00 63.42 C ATOM 0 H THR A 108 7.519 -5.182 9.776 1.00 12.01 H new ATOM 0 HA THR A 108 9.828 -6.733 8.775 1.00 51.22 H new ATOM 0 HB THR A 108 10.256 -4.813 7.271 1.00 14.33 H new ATOM 0 HG1 THR A 108 8.434 -3.425 6.817 1.00 1.15 H new ATOM 0 HG21 THR A 108 8.525 -5.418 5.586 1.00 63.42 H new ATOM 0 HG22 THR A 108 9.197 -6.851 6.400 1.00 63.42 H new ATOM 0 HG23 THR A 108 7.592 -6.236 6.861 1.00 63.42 H new ATOM 1525 N THR A 109 9.735 -4.054 10.674 1.00 53.52 N ATOM 1526 CA THR A 109 10.547 -3.275 11.609 1.00 21.43 C ATOM 1527 C THR A 109 10.040 -3.314 13.054 1.00 51.43 C ATOM 1528 O THR A 109 10.707 -2.769 13.933 1.00 1.44 O ATOM 1529 CB THR A 109 10.783 -1.862 11.045 1.00 64.34 C ATOM 1530 OG1 THR A 109 9.579 -1.241 10.620 1.00 64.33 O ATOM 1531 CG2 THR A 109 11.720 -1.897 9.831 1.00 4.24 C ATOM 0 H THR A 109 8.745 -3.809 10.673 1.00 53.52 H new ATOM 0 HA THR A 109 11.523 -3.754 11.692 1.00 21.43 H new ATOM 0 HB THR A 109 11.224 -1.293 11.864 1.00 64.34 H new ATOM 0 HG1 THR A 109 9.777 -0.347 10.272 1.00 64.33 H new ATOM 0 HG21 THR A 109 11.867 -0.884 9.456 1.00 4.24 H new ATOM 0 HG22 THR A 109 12.681 -2.318 10.125 1.00 4.24 H new ATOM 0 HG23 THR A 109 11.278 -2.514 9.048 1.00 4.24 H new ATOM 1539 N GLY A 110 8.886 -3.933 13.332 1.00 2.51 N ATOM 1540 CA GLY A 110 8.354 -4.012 14.683 1.00 70.13 C ATOM 1541 C GLY A 110 7.795 -2.692 15.206 1.00 3.13 C ATOM 1542 O GLY A 110 7.404 -2.651 16.372 1.00 34.33 O ATOM 0 H GLY A 110 8.305 -4.387 12.628 1.00 2.51 H new ATOM 0 HA2 GLY A 110 7.566 -4.765 14.709 1.00 70.13 H new ATOM 0 HA3 GLY A 110 9.143 -4.353 15.354 1.00 70.13 H new ATOM 1546 N VAL A 111 7.720 -1.647 14.375 1.00 75.12 N ATOM 1547 CA VAL A 111 7.221 -0.323 14.723 1.00 45.00 C ATOM 1548 C VAL A 111 6.165 0.120 13.702 1.00 34.21 C ATOM 1549 O VAL A 111 6.167 -0.371 12.573 1.00 1.11 O ATOM 1550 CB VAL A 111 8.415 0.649 14.811 1.00 32.01 C ATOM 1551 CG1 VAL A 111 9.405 0.231 15.907 1.00 24.34 C ATOM 1552 CG2 VAL A 111 9.193 0.791 13.495 1.00 14.31 C ATOM 0 H VAL A 111 8.019 -1.709 13.402 1.00 75.12 H new ATOM 0 HA VAL A 111 6.729 -0.335 15.696 1.00 45.00 H new ATOM 0 HB VAL A 111 7.966 1.613 15.049 1.00 32.01 H new ATOM 0 HG11 VAL A 111 10.233 0.939 15.939 1.00 24.34 H new ATOM 0 HG12 VAL A 111 8.897 0.222 16.872 1.00 24.34 H new ATOM 0 HG13 VAL A 111 9.789 -0.766 15.690 1.00 24.34 H new ATOM 0 HG21 VAL A 111 10.018 1.490 13.633 1.00 14.31 H new ATOM 0 HG22 VAL A 111 9.587 -0.181 13.199 1.00 14.31 H new ATOM 0 HG23 VAL A 111 8.527 1.165 12.717 1.00 14.31 H new ATOM 1562 N VAL A 112 5.273 1.041 14.080 1.00 0.12 N ATOM 1563 CA VAL A 112 4.197 1.565 13.235 1.00 41.12 C ATOM 1564 C VAL A 112 4.237 3.104 13.156 1.00 31.10 C ATOM 1565 O VAL A 112 4.771 3.750 14.062 1.00 61.05 O ATOM 1566 CB VAL A 112 2.864 0.993 13.764 1.00 22.12 C ATOM 1567 CG1 VAL A 112 2.428 1.635 15.087 1.00 33.43 C ATOM 1568 CG2 VAL A 112 1.731 1.119 12.746 1.00 24.32 C ATOM 0 H VAL A 112 5.281 1.455 15.012 1.00 0.12 H new ATOM 0 HA VAL A 112 4.320 1.243 12.201 1.00 41.12 H new ATOM 0 HB VAL A 112 3.061 -0.064 13.941 1.00 22.12 H new ATOM 0 HG11 VAL A 112 1.485 1.195 15.412 1.00 33.43 H new ATOM 0 HG12 VAL A 112 3.191 1.459 15.845 1.00 33.43 H new ATOM 0 HG13 VAL A 112 2.298 2.708 14.945 1.00 33.43 H new ATOM 0 HG21 VAL A 112 0.816 0.702 13.167 1.00 24.32 H new ATOM 0 HG22 VAL A 112 1.574 2.170 12.505 1.00 24.32 H new ATOM 0 HG23 VAL A 112 1.994 0.574 11.839 1.00 24.32 H new ATOM 1578 N ASN A 113 3.693 3.687 12.074 1.00 44.51 N ATOM 1579 CA ASN A 113 3.619 5.133 11.829 1.00 53.42 C ATOM 1580 C ASN A 113 2.171 5.528 11.494 1.00 52.13 C ATOM 1581 O ASN A 113 1.746 5.443 10.341 1.00 53.04 O ATOM 1582 CB ASN A 113 4.593 5.568 10.715 1.00 63.32 C ATOM 1583 CG ASN A 113 5.946 6.018 11.255 1.00 72.33 C ATOM 1584 OD1 ASN A 113 6.548 5.375 12.109 1.00 3.23 O ATOM 1585 ND2 ASN A 113 6.471 7.134 10.788 1.00 32.55 N ATOM 0 H ASN A 113 3.278 3.141 11.319 1.00 44.51 H new ATOM 0 HA ASN A 113 3.924 5.656 12.736 1.00 53.42 H new ATOM 0 HB2 ASN A 113 4.741 4.738 10.024 1.00 63.32 H new ATOM 0 HB3 ASN A 113 4.145 6.382 10.145 1.00 63.32 H new ATOM 0 HD21 ASN A 113 7.373 7.458 11.137 1.00 32.55 H new ATOM 0 HD22 ASN A 113 5.975 7.673 10.078 1.00 32.55 H new ATOM 1592 N GLN A 114 1.411 5.982 12.493 1.00 23.11 N ATOM 1593 CA GLN A 114 0.012 6.404 12.395 1.00 35.11 C ATOM 1594 C GLN A 114 -0.305 7.398 11.262 1.00 22.34 C ATOM 1595 O GLN A 114 -1.198 7.085 10.469 1.00 13.00 O ATOM 1596 CB GLN A 114 -0.469 6.952 13.760 1.00 61.23 C ATOM 1597 CG GLN A 114 -1.751 7.806 13.705 1.00 22.24 C ATOM 1598 CD GLN A 114 -2.222 8.255 15.084 1.00 52.13 C ATOM 1599 OE1 GLN A 114 -1.582 9.076 15.739 1.00 71.43 O ATOM 1600 NE2 GLN A 114 -3.362 7.767 15.536 1.00 1.10 N ATOM 0 H GLN A 114 1.774 6.070 13.442 1.00 23.11 H new ATOM 0 HA GLN A 114 -0.542 5.505 12.125 1.00 35.11 H new ATOM 0 HB2 GLN A 114 -0.639 6.111 14.432 1.00 61.23 H new ATOM 0 HB3 GLN A 114 0.330 7.552 14.196 1.00 61.23 H new ATOM 0 HG2 GLN A 114 -1.571 8.684 13.084 1.00 22.24 H new ATOM 0 HG3 GLN A 114 -2.544 7.233 13.224 1.00 22.24 H new ATOM 0 HE21 GLN A 114 -3.881 7.087 14.981 1.00 1.10 H new ATOM 0 HE22 GLN A 114 -3.724 8.070 16.440 1.00 1.10 H new ATOM 1609 N PRO A 115 0.344 8.579 11.161 1.00 10.14 N ATOM 1610 CA PRO A 115 0.015 9.545 10.121 1.00 63.10 C ATOM 1611 C PRO A 115 0.294 9.019 8.717 1.00 74.35 C ATOM 1612 O PRO A 115 -0.440 9.374 7.790 1.00 33.12 O ATOM 1613 CB PRO A 115 0.787 10.825 10.458 1.00 31.03 C ATOM 1614 CG PRO A 115 1.957 10.338 11.300 1.00 50.33 C ATOM 1615 CD PRO A 115 1.417 9.094 12.002 1.00 53.40 C ATOM 0 HA PRO A 115 -1.056 9.747 10.106 1.00 63.10 H new ATOM 0 HB2 PRO A 115 1.128 11.334 9.557 1.00 31.03 H new ATOM 0 HB3 PRO A 115 0.166 11.532 11.008 1.00 31.03 H new ATOM 0 HG2 PRO A 115 2.823 10.102 10.681 1.00 50.33 H new ATOM 0 HG3 PRO A 115 2.274 11.095 12.017 1.00 50.33 H new ATOM 0 HD2 PRO A 115 2.202 8.349 12.129 1.00 53.40 H new ATOM 0 HD3 PRO A 115 1.046 9.340 12.997 1.00 53.40 H new ATOM 1623 N PHE A 116 1.310 8.167 8.556 1.00 74.10 N ATOM 1624 CA PHE A 116 1.659 7.584 7.271 1.00 50.43 C ATOM 1625 C PHE A 116 0.513 6.680 6.832 1.00 60.13 C ATOM 1626 O PHE A 116 -0.050 6.829 5.755 1.00 14.23 O ATOM 1627 CB PHE A 116 2.964 6.790 7.402 1.00 62.42 C ATOM 1628 CG PHE A 116 3.612 6.404 6.093 1.00 62.21 C ATOM 1629 CD1 PHE A 116 3.184 5.260 5.393 1.00 13.54 C ATOM 1630 CD2 PHE A 116 4.696 7.158 5.608 1.00 42.33 C ATOM 1631 CE1 PHE A 116 3.851 4.866 4.222 1.00 52.04 C ATOM 1632 CE2 PHE A 116 5.373 6.743 4.451 1.00 50.33 C ATOM 1633 CZ PHE A 116 4.959 5.594 3.764 1.00 22.13 C ATOM 0 H PHE A 116 1.913 7.865 9.321 1.00 74.10 H new ATOM 0 HA PHE A 116 1.813 8.362 6.524 1.00 50.43 H new ATOM 0 HB2 PHE A 116 3.674 7.380 7.981 1.00 62.42 H new ATOM 0 HB3 PHE A 116 2.764 5.883 7.972 1.00 62.42 H new ATOM 0 HD1 PHE A 116 2.344 4.686 5.756 1.00 13.54 H new ATOM 0 HD2 PHE A 116 5.006 8.054 6.125 1.00 42.33 H new ATOM 0 HE1 PHE A 116 3.510 4.001 3.673 1.00 52.04 H new ATOM 0 HE2 PHE A 116 6.217 7.312 4.089 1.00 50.33 H new ATOM 0 HZ PHE A 116 5.492 5.269 2.883 1.00 22.13 H new ATOM 1643 N ILE A 117 0.109 5.753 7.697 1.00 71.21 N ATOM 1644 CA ILE A 117 -0.968 4.819 7.395 1.00 41.02 C ATOM 1645 C ILE A 117 -2.289 5.589 7.190 1.00 44.30 C ATOM 1646 O ILE A 117 -3.152 5.131 6.440 1.00 12.14 O ATOM 1647 CB ILE A 117 -0.994 3.720 8.480 1.00 51.32 C ATOM 1648 CG1 ILE A 117 0.364 2.969 8.504 1.00 71.00 C ATOM 1649 CG2 ILE A 117 -2.107 2.696 8.214 1.00 35.14 C ATOM 1650 CD1 ILE A 117 0.559 2.155 9.778 1.00 31.53 C ATOM 0 H ILE A 117 0.518 5.630 8.623 1.00 71.21 H new ATOM 0 HA ILE A 117 -0.805 4.298 6.451 1.00 41.02 H new ATOM 0 HB ILE A 117 -1.180 4.208 9.437 1.00 51.32 H new ATOM 0 HG12 ILE A 117 0.424 2.306 7.641 1.00 71.00 H new ATOM 0 HG13 ILE A 117 1.176 3.690 8.410 1.00 71.00 H new ATOM 0 HG21 ILE A 117 -2.097 1.937 8.996 1.00 35.14 H new ATOM 0 HG22 ILE A 117 -3.073 3.201 8.211 1.00 35.14 H new ATOM 0 HG23 ILE A 117 -1.942 2.222 7.246 1.00 35.14 H new ATOM 0 HD11 ILE A 117 1.524 1.650 9.743 1.00 31.53 H new ATOM 0 HD12 ILE A 117 0.528 2.819 10.642 1.00 31.53 H new ATOM 0 HD13 ILE A 117 -0.236 1.413 9.861 1.00 31.53 H new ATOM 1662 N ASN A 118 -2.469 6.761 7.813 1.00 13.22 N ATOM 1663 CA ASN A 118 -3.686 7.555 7.641 1.00 33.14 C ATOM 1664 C ASN A 118 -3.713 8.214 6.266 1.00 33.14 C ATOM 1665 O ASN A 118 -4.762 8.261 5.629 1.00 34.01 O ATOM 1666 CB ASN A 118 -3.822 8.624 8.728 1.00 25.11 C ATOM 1667 CG ASN A 118 -5.041 9.502 8.452 1.00 30.51 C ATOM 1668 OD1 ASN A 118 -6.158 8.999 8.368 1.00 22.12 O ATOM 1669 ND2 ASN A 118 -4.875 10.805 8.316 1.00 22.14 N ATOM 0 H ASN A 118 -1.783 7.179 8.442 1.00 13.22 H new ATOM 0 HA ASN A 118 -4.530 6.871 7.727 1.00 33.14 H new ATOM 0 HB2 ASN A 118 -3.919 8.150 9.705 1.00 25.11 H new ATOM 0 HB3 ASN A 118 -2.922 9.238 8.760 1.00 25.11 H new ATOM 0 HD21 ASN A 118 -5.680 11.406 8.139 1.00 22.14 H new ATOM 0 HD22 ASN A 118 -3.942 11.210 8.388 1.00 22.14 H new ATOM 1676 N GLU A 119 -2.584 8.745 5.796 1.00 64.24 N ATOM 1677 CA GLU A 119 -2.564 9.375 4.481 1.00 11.20 C ATOM 1678 C GLU A 119 -2.799 8.307 3.407 1.00 64.42 C ATOM 1679 O GLU A 119 -3.455 8.565 2.406 1.00 53.02 O ATOM 1680 CB GLU A 119 -1.281 10.193 4.290 1.00 13.11 C ATOM 1681 CG GLU A 119 -0.100 9.433 3.678 1.00 62.11 C ATOM 1682 CD GLU A 119 1.242 10.058 4.059 1.00 31.10 C ATOM 1683 OE1 GLU A 119 1.317 11.313 4.132 1.00 51.33 O ATOM 1684 OE2 GLU A 119 2.249 9.340 4.192 1.00 5.12 O ATOM 0 H GLU A 119 -1.693 8.752 6.293 1.00 64.24 H new ATOM 0 HA GLU A 119 -3.376 10.097 4.388 1.00 11.20 H new ATOM 0 HB2 GLU A 119 -1.508 11.049 3.655 1.00 13.11 H new ATOM 0 HB3 GLU A 119 -0.974 10.587 5.259 1.00 13.11 H new ATOM 0 HG2 GLU A 119 -0.125 8.396 4.011 1.00 62.11 H new ATOM 0 HG3 GLU A 119 -0.200 9.421 2.593 1.00 62.11 H new ATOM 1691 N ILE A 120 -2.327 7.079 3.638 1.00 12.43 N ATOM 1692 CA ILE A 120 -2.490 5.968 2.715 1.00 51.20 C ATOM 1693 C ILE A 120 -3.984 5.636 2.600 1.00 74.42 C ATOM 1694 O ILE A 120 -4.425 5.220 1.521 1.00 2.25 O ATOM 1695 CB ILE A 120 -1.600 4.801 3.183 1.00 62.13 C ATOM 1696 CG1 ILE A 120 -0.101 5.152 3.049 1.00 71.34 C ATOM 1697 CG2 ILE A 120 -1.928 3.496 2.456 1.00 45.04 C ATOM 1698 CD1 ILE A 120 0.507 4.958 1.658 1.00 10.14 C ATOM 0 H ILE A 120 -1.815 6.832 4.485 1.00 12.43 H new ATOM 0 HA ILE A 120 -2.159 6.213 1.706 1.00 51.20 H new ATOM 0 HB ILE A 120 -1.817 4.641 4.239 1.00 62.13 H new ATOM 0 HG12 ILE A 120 0.037 6.192 3.343 1.00 71.34 H new ATOM 0 HG13 ILE A 120 0.460 4.543 3.758 1.00 71.34 H new ATOM 0 HG21 ILE A 120 -1.275 2.703 2.820 1.00 45.04 H new ATOM 0 HG22 ILE A 120 -2.967 3.226 2.645 1.00 45.04 H new ATOM 0 HG23 ILE A 120 -1.776 3.628 1.385 1.00 45.04 H new ATOM 0 HD11 ILE A 120 1.561 5.234 1.680 1.00 10.14 H new ATOM 0 HD12 ILE A 120 0.412 3.913 1.362 1.00 10.14 H new ATOM 0 HD13 ILE A 120 -0.018 5.588 0.940 1.00 10.14 H new ATOM 1710 N THR A 121 -4.768 5.751 3.682 1.00 50.54 N ATOM 1711 CA THR A 121 -6.201 5.488 3.563 1.00 72.34 C ATOM 1712 C THR A 121 -6.834 6.646 2.786 1.00 13.30 C ATOM 1713 O THR A 121 -7.674 6.406 1.912 1.00 60.24 O ATOM 1714 CB THR A 121 -6.900 5.140 4.887 1.00 31.23 C ATOM 1715 OG1 THR A 121 -6.753 6.107 5.902 1.00 2.43 O ATOM 1716 CG2 THR A 121 -6.366 3.814 5.428 1.00 3.33 C ATOM 0 H THR A 121 -4.447 6.014 4.614 1.00 50.54 H new ATOM 0 HA THR A 121 -6.347 4.567 2.998 1.00 72.34 H new ATOM 0 HB THR A 121 -7.960 5.088 4.639 1.00 31.23 H new ATOM 0 HG1 THR A 121 -6.062 6.751 5.642 1.00 2.43 H new ATOM 0 HG21 THR A 121 -6.867 3.576 6.366 1.00 3.33 H new ATOM 0 HG22 THR A 121 -6.557 3.022 4.703 1.00 3.33 H new ATOM 0 HG23 THR A 121 -5.293 3.897 5.601 1.00 3.33 H new ATOM 1724 N GLN A 122 -6.384 7.882 3.055 1.00 24.12 N ATOM 1725 CA GLN A 122 -6.867 9.075 2.377 1.00 33.13 C ATOM 1726 C GLN A 122 -6.618 8.954 0.874 1.00 22.34 C ATOM 1727 O GLN A 122 -7.459 9.422 0.119 1.00 35.31 O ATOM 1728 CB GLN A 122 -6.238 10.359 2.948 1.00 24.31 C ATOM 1729 CG GLN A 122 -6.814 10.765 4.315 1.00 23.22 C ATOM 1730 CD GLN A 122 -8.251 11.288 4.236 1.00 3.44 C ATOM 1731 OE1 GLN A 122 -8.846 11.426 3.166 1.00 60.31 O ATOM 1732 NE2 GLN A 122 -8.857 11.620 5.361 1.00 60.51 N ATOM 0 H GLN A 122 -5.669 8.073 3.757 1.00 24.12 H new ATOM 0 HA GLN A 122 -7.940 9.153 2.551 1.00 33.13 H new ATOM 0 HB2 GLN A 122 -5.162 10.216 3.043 1.00 24.31 H new ATOM 0 HB3 GLN A 122 -6.390 11.175 2.241 1.00 24.31 H new ATOM 0 HG2 GLN A 122 -6.784 9.905 4.984 1.00 23.22 H new ATOM 0 HG3 GLN A 122 -6.179 11.534 4.755 1.00 23.22 H new ATOM 0 HE21 GLN A 122 -8.374 11.510 6.252 1.00 60.51 H new ATOM 0 HE22 GLN A 122 -9.809 11.987 5.339 1.00 60.51 H new ATOM 1741 N LEU A 123 -5.533 8.315 0.409 1.00 12.22 N ATOM 1742 CA LEU A 123 -5.278 8.151 -1.023 1.00 51.12 C ATOM 1743 C LEU A 123 -6.420 7.340 -1.645 1.00 61.42 C ATOM 1744 O LEU A 123 -7.053 7.832 -2.580 1.00 31.12 O ATOM 1745 CB LEU A 123 -3.931 7.461 -1.321 1.00 43.42 C ATOM 1746 CG LEU A 123 -2.726 8.369 -1.624 1.00 21.42 C ATOM 1747 CD1 LEU A 123 -2.970 9.337 -2.788 1.00 74.54 C ATOM 1748 CD2 LEU A 123 -2.241 9.128 -0.394 1.00 71.43 C ATOM 0 H LEU A 123 -4.819 7.904 1.010 1.00 12.22 H new ATOM 0 HA LEU A 123 -5.225 9.148 -1.460 1.00 51.12 H new ATOM 0 HB2 LEU A 123 -3.676 6.836 -0.466 1.00 43.42 H new ATOM 0 HB3 LEU A 123 -4.074 6.795 -2.172 1.00 43.42 H new ATOM 0 HG LEU A 123 -1.935 7.686 -1.934 1.00 21.42 H new ATOM 0 HD11 LEU A 123 -2.080 9.946 -2.947 1.00 74.54 H new ATOM 0 HD12 LEU A 123 -3.188 8.770 -3.693 1.00 74.54 H new ATOM 0 HD13 LEU A 123 -3.815 9.983 -2.552 1.00 74.54 H new ATOM 0 HD21 LEU A 123 -1.390 9.753 -0.664 1.00 71.43 H new ATOM 0 HD22 LEU A 123 -3.046 9.756 -0.013 1.00 71.43 H new ATOM 0 HD23 LEU A 123 -1.940 8.418 0.376 1.00 71.43 H new ATOM 1760 N VAL A 124 -6.708 6.133 -1.128 1.00 43.04 N ATOM 1761 CA VAL A 124 -7.771 5.287 -1.650 1.00 5.55 C ATOM 1762 C VAL A 124 -9.084 6.055 -1.642 1.00 63.02 C ATOM 1763 O VAL A 124 -9.783 6.068 -2.650 1.00 21.35 O ATOM 1764 CB VAL A 124 -7.867 4.026 -0.784 1.00 41.22 C ATOM 1765 CG1 VAL A 124 -8.934 3.023 -1.226 1.00 54.12 C ATOM 1766 CG2 VAL A 124 -6.541 3.261 -0.764 1.00 33.24 C ATOM 0 H VAL A 124 -6.206 5.726 -0.339 1.00 43.04 H new ATOM 0 HA VAL A 124 -7.555 4.995 -2.678 1.00 5.55 H new ATOM 0 HB VAL A 124 -8.137 4.414 0.198 1.00 41.22 H new ATOM 0 HG11 VAL A 124 -8.927 2.165 -0.554 1.00 54.12 H new ATOM 0 HG12 VAL A 124 -9.914 3.498 -1.197 1.00 54.12 H new ATOM 0 HG13 VAL A 124 -8.722 2.690 -2.242 1.00 54.12 H new ATOM 0 HG21 VAL A 124 -6.643 2.372 -0.141 1.00 33.24 H new ATOM 0 HG22 VAL A 124 -6.277 2.964 -1.779 1.00 33.24 H new ATOM 0 HG23 VAL A 124 -5.758 3.901 -0.358 1.00 33.24 H new ATOM 1776 N SER A 125 -9.409 6.704 -0.524 1.00 31.32 N ATOM 1777 CA SER A 125 -10.637 7.455 -0.382 1.00 71.44 C ATOM 1778 C SER A 125 -10.737 8.591 -1.405 1.00 0.20 C ATOM 1779 O SER A 125 -11.772 8.750 -2.054 1.00 2.14 O ATOM 1780 CB SER A 125 -10.731 7.949 1.061 1.00 44.43 C ATOM 1781 OG SER A 125 -12.013 8.471 1.310 1.00 13.50 O ATOM 0 H SER A 125 -8.819 6.718 0.308 1.00 31.32 H new ATOM 0 HA SER A 125 -11.490 6.810 -0.593 1.00 71.44 H new ATOM 0 HB2 SER A 125 -10.524 7.129 1.749 1.00 44.43 H new ATOM 0 HB3 SER A 125 -9.977 8.715 1.241 1.00 44.43 H new ATOM 0 HG SER A 125 -12.064 8.784 2.237 1.00 13.50 H new ATOM 1787 N MET A 126 -9.669 9.374 -1.559 1.00 23.11 N ATOM 1788 CA MET A 126 -9.593 10.491 -2.483 1.00 24.23 C ATOM 1789 C MET A 126 -9.853 10.010 -3.901 1.00 10.41 C ATOM 1790 O MET A 126 -10.568 10.698 -4.627 1.00 24.44 O ATOM 1791 CB MET A 126 -8.210 11.156 -2.391 1.00 52.44 C ATOM 1792 CG MET A 126 -8.066 12.367 -3.323 1.00 62.21 C ATOM 1793 SD MET A 126 -6.375 12.996 -3.504 1.00 30.15 S ATOM 1794 CE MET A 126 -5.665 11.739 -4.603 1.00 31.12 C ATOM 0 H MET A 126 -8.810 9.239 -1.025 1.00 23.11 H new ATOM 0 HA MET A 126 -10.353 11.226 -2.217 1.00 24.23 H new ATOM 0 HB2 MET A 126 -8.032 11.472 -1.363 1.00 52.44 H new ATOM 0 HB3 MET A 126 -7.442 10.422 -2.636 1.00 52.44 H new ATOM 0 HG2 MET A 126 -8.444 12.095 -4.309 1.00 62.21 H new ATOM 0 HG3 MET A 126 -8.699 13.172 -2.949 1.00 62.21 H new ATOM 0 HE1 MET A 126 -4.646 12.021 -4.868 1.00 31.12 H new ATOM 0 HE2 MET A 126 -5.654 10.775 -4.094 1.00 31.12 H new ATOM 0 HE3 MET A 126 -6.268 11.665 -5.508 1.00 31.12 H new ATOM 1804 N PHE A 127 -9.275 8.874 -4.307 1.00 35.12 N ATOM 1805 CA PHE A 127 -9.494 8.394 -5.665 1.00 14.33 C ATOM 1806 C PHE A 127 -10.874 7.769 -5.817 1.00 33.41 C ATOM 1807 O PHE A 127 -11.546 8.020 -6.813 1.00 74.40 O ATOM 1808 CB PHE A 127 -8.372 7.445 -6.092 1.00 61.22 C ATOM 1809 CG PHE A 127 -7.189 8.185 -6.687 1.00 3.31 C ATOM 1810 CD1 PHE A 127 -5.994 8.356 -5.961 1.00 63.11 C ATOM 1811 CD2 PHE A 127 -7.301 8.734 -7.980 1.00 5.31 C ATOM 1812 CE1 PHE A 127 -4.903 9.027 -6.543 1.00 54.05 C ATOM 1813 CE2 PHE A 127 -6.216 9.421 -8.552 1.00 14.33 C ATOM 1814 CZ PHE A 127 -5.013 9.557 -7.840 1.00 72.42 C ATOM 0 H PHE A 127 -8.670 8.289 -3.730 1.00 35.12 H new ATOM 0 HA PHE A 127 -9.466 9.249 -6.340 1.00 14.33 H new ATOM 0 HB2 PHE A 127 -8.040 6.867 -5.230 1.00 61.22 H new ATOM 0 HB3 PHE A 127 -8.758 6.734 -6.823 1.00 61.22 H new ATOM 0 HD1 PHE A 127 -5.915 7.971 -4.955 1.00 63.11 H new ATOM 0 HD2 PHE A 127 -8.223 8.627 -8.533 1.00 5.31 H new ATOM 0 HE1 PHE A 127 -3.980 9.135 -5.993 1.00 54.05 H new ATOM 0 HE2 PHE A 127 -6.308 9.845 -9.541 1.00 14.33 H new ATOM 0 HZ PHE A 127 -4.174 10.068 -8.288 1.00 72.42 H new ATOM 1824 N ALA A 128 -11.315 6.971 -4.846 1.00 64.32 N ATOM 1825 CA ALA A 128 -12.606 6.305 -4.873 1.00 72.13 C ATOM 1826 C ALA A 128 -13.755 7.305 -5.006 1.00 13.32 C ATOM 1827 O ALA A 128 -14.671 7.097 -5.807 1.00 63.31 O ATOM 1828 CB ALA A 128 -12.762 5.488 -3.592 1.00 31.21 C ATOM 0 H ALA A 128 -10.772 6.769 -4.006 1.00 64.32 H new ATOM 0 HA ALA A 128 -12.646 5.652 -5.745 1.00 72.13 H new ATOM 0 HB1 ALA A 128 -13.727 4.982 -3.598 1.00 31.21 H new ATOM 0 HB2 ALA A 128 -11.965 4.747 -3.534 1.00 31.21 H new ATOM 0 HB3 ALA A 128 -12.705 6.151 -2.729 1.00 31.21 H new ATOM 1834 N GLN A 129 -13.713 8.378 -4.212 1.00 63.35 N ATOM 1835 CA GLN A 129 -14.733 9.410 -4.214 1.00 30.34 C ATOM 1836 C GLN A 129 -14.458 10.432 -5.313 1.00 51.52 C ATOM 1837 O GLN A 129 -15.293 10.614 -6.194 1.00 44.34 O ATOM 1838 CB GLN A 129 -14.827 10.070 -2.825 1.00 22.43 C ATOM 1839 CG GLN A 129 -15.316 9.062 -1.773 1.00 55.21 C ATOM 1840 CD GLN A 129 -15.379 9.641 -0.360 1.00 2.20 C ATOM 1841 OE1 GLN A 129 -14.382 10.120 0.186 1.00 71.23 O ATOM 1842 NE2 GLN A 129 -16.530 9.585 0.286 1.00 71.41 N ATOM 0 H GLN A 129 -12.960 8.549 -3.546 1.00 63.35 H new ATOM 0 HA GLN A 129 -15.700 8.955 -4.429 1.00 30.34 H new ATOM 0 HB2 GLN A 129 -13.851 10.459 -2.536 1.00 22.43 H new ATOM 0 HB3 GLN A 129 -15.509 10.919 -2.866 1.00 22.43 H new ATOM 0 HG2 GLN A 129 -16.306 8.705 -2.056 1.00 55.21 H new ATOM 0 HG3 GLN A 129 -14.653 8.197 -1.774 1.00 55.21 H new ATOM 0 HE21 GLN A 129 -17.352 9.188 -0.170 1.00 71.41 H new ATOM 0 HE22 GLN A 129 -16.597 9.939 1.240 1.00 71.41 H new ATOM 1851 N ALA A 130 -13.333 11.151 -5.261 1.00 23.43 N ATOM 1852 CA ALA A 130 -12.945 12.185 -6.225 1.00 32.33 C ATOM 1853 C ALA A 130 -13.998 13.308 -6.377 1.00 20.24 C ATOM 1854 O ALA A 130 -13.898 14.128 -7.289 1.00 14.53 O ATOM 1855 CB ALA A 130 -12.525 11.547 -7.559 1.00 12.30 C ATOM 0 H ALA A 130 -12.643 11.025 -4.520 1.00 23.43 H new ATOM 0 HA ALA A 130 -12.071 12.698 -5.824 1.00 32.33 H new ATOM 0 HB1 ALA A 130 -12.240 12.329 -8.263 1.00 12.30 H new ATOM 0 HB2 ALA A 130 -11.678 10.882 -7.393 1.00 12.30 H new ATOM 0 HB3 ALA A 130 -13.359 10.977 -7.968 1.00 12.30 H new ATOM 1861 N GLY A 131 -14.973 13.399 -5.462 1.00 24.53 N ATOM 1862 CA GLY A 131 -16.062 14.377 -5.444 1.00 3.11 C ATOM 1863 C GLY A 131 -17.439 13.715 -5.589 1.00 44.11 C ATOM 1864 O GLY A 131 -18.464 14.390 -5.466 1.00 53.40 O ATOM 0 H GLY A 131 -15.023 12.755 -4.672 1.00 24.53 H new ATOM 0 HA2 GLY A 131 -16.028 14.939 -4.511 1.00 3.11 H new ATOM 0 HA3 GLY A 131 -15.918 15.093 -6.253 1.00 3.11 H new ATOM 1868 N MET A 132 -17.472 12.401 -5.830 1.00 64.01 N ATOM 1869 CA MET A 132 -18.665 11.588 -6.001 1.00 43.05 C ATOM 1870 C MET A 132 -19.612 11.771 -4.820 1.00 73.44 C ATOM 1871 O MET A 132 -19.189 11.821 -3.660 1.00 51.51 O ATOM 1872 CB MET A 132 -18.249 10.113 -6.166 1.00 3.23 C ATOM 1873 CG MET A 132 -19.412 9.130 -6.303 1.00 4.31 C ATOM 1874 SD MET A 132 -20.604 9.513 -7.611 1.00 24.51 S ATOM 1875 CE MET A 132 -19.644 8.989 -9.053 1.00 2.44 C ATOM 0 H MET A 132 -16.616 11.852 -5.914 1.00 64.01 H new ATOM 0 HA MET A 132 -19.200 11.905 -6.896 1.00 43.05 H new ATOM 0 HB2 MET A 132 -17.613 10.026 -7.047 1.00 3.23 H new ATOM 0 HB3 MET A 132 -17.645 9.822 -5.306 1.00 3.23 H new ATOM 0 HG2 MET A 132 -19.005 8.135 -6.486 1.00 4.31 H new ATOM 0 HG3 MET A 132 -19.943 9.087 -5.352 1.00 4.31 H new ATOM 0 HE1 MET A 132 -20.228 9.154 -9.958 1.00 2.44 H new ATOM 0 HE2 MET A 132 -18.722 9.567 -9.106 1.00 2.44 H new ATOM 0 HE3 MET A 132 -19.403 7.930 -8.964 1.00 2.44 H new ATOM 1885 N ASN A 133 -20.900 11.900 -5.133 1.00 20.23 N ATOM 1886 CA ASN A 133 -21.952 12.055 -4.141 1.00 73.10 C ATOM 1887 C ASN A 133 -22.051 10.793 -3.300 1.00 2.54 C ATOM 1888 O ASN A 133 -21.663 9.700 -3.728 1.00 13.22 O ATOM 1889 CB ASN A 133 -23.310 12.347 -4.800 1.00 70.42 C ATOM 1890 CG ASN A 133 -23.722 11.283 -5.808 1.00 41.44 C ATOM 1891 OD1 ASN A 133 -23.460 11.442 -6.997 1.00 40.32 O ATOM 1892 ND2 ASN A 133 -24.333 10.189 -5.390 1.00 1.40 N ATOM 0 H ASN A 133 -21.242 11.899 -6.094 1.00 20.23 H new ATOM 0 HA ASN A 133 -21.696 12.904 -3.507 1.00 73.10 H new ATOM 0 HB2 ASN A 133 -24.074 12.423 -4.027 1.00 70.42 H new ATOM 0 HB3 ASN A 133 -23.265 13.315 -5.299 1.00 70.42 H new ATOM 0 HD21 ASN A 133 -24.593 9.463 -6.058 1.00 1.40 H new ATOM 0 HD22 ASN A 133 -24.545 10.070 -4.399 1.00 1.40 H new ATOM 1899 N ASP A 134 -22.546 10.955 -2.077 1.00 51.32 N ATOM 1900 CA ASP A 134 -22.724 9.822 -1.186 1.00 62.33 C ATOM 1901 C ASP A 134 -23.960 9.057 -1.659 1.00 33.31 C ATOM 1902 O ASP A 134 -24.660 9.501 -2.576 1.00 64.41 O ATOM 1903 CB ASP A 134 -22.856 10.279 0.271 1.00 24.33 C ATOM 1904 CG ASP A 134 -22.303 9.187 1.184 1.00 53.11 C ATOM 1905 OD1 ASP A 134 -21.121 9.325 1.568 1.00 35.33 O ATOM 1906 OD2 ASP A 134 -23.005 8.176 1.410 1.00 74.10 O ATOM 0 H ASP A 134 -22.828 11.854 -1.686 1.00 51.32 H new ATOM 0 HA ASP A 134 -21.852 9.169 -1.217 1.00 62.33 H new ATOM 0 HB2 ASP A 134 -22.311 11.210 0.425 1.00 24.33 H new ATOM 0 HB3 ASP A 134 -23.901 10.477 0.511 1.00 24.33 H new ATOM 1911 N VAL A 135 -24.239 7.910 -1.058 1.00 15.32 N ATOM 1912 CA VAL A 135 -25.383 7.060 -1.373 1.00 11.03 C ATOM 1913 C VAL A 135 -26.152 6.701 -0.096 1.00 61.31 C ATOM 1914 O VAL A 135 -27.196 6.052 -0.165 1.00 51.02 O ATOM 1915 CB VAL A 135 -24.913 5.819 -2.159 1.00 1.04 C ATOM 1916 CG1 VAL A 135 -24.232 6.214 -3.476 1.00 65.32 C ATOM 1917 CG2 VAL A 135 -23.949 4.934 -1.354 1.00 11.13 C ATOM 0 H VAL A 135 -23.657 7.530 -0.312 1.00 15.32 H new ATOM 0 HA VAL A 135 -26.080 7.602 -2.013 1.00 11.03 H new ATOM 0 HB VAL A 135 -25.817 5.246 -2.366 1.00 1.04 H new ATOM 0 HG11 VAL A 135 -23.913 5.316 -4.004 1.00 65.32 H new ATOM 0 HG12 VAL A 135 -24.935 6.770 -4.097 1.00 65.32 H new ATOM 0 HG13 VAL A 135 -23.364 6.838 -3.264 1.00 65.32 H new ATOM 0 HG21 VAL A 135 -23.652 4.076 -1.958 1.00 11.13 H new ATOM 0 HG22 VAL A 135 -23.065 5.511 -1.084 1.00 11.13 H new ATOM 0 HG23 VAL A 135 -24.445 4.586 -0.448 1.00 11.13 H new ATOM 1927 N SER A 136 -25.646 7.112 1.066 1.00 4.52 N ATOM 1928 CA SER A 136 -26.222 6.864 2.368 1.00 41.22 C ATOM 1929 C SER A 136 -27.496 7.678 2.561 1.00 21.01 C ATOM 1930 O SER A 136 -27.433 8.902 2.721 1.00 1.12 O ATOM 1931 CB SER A 136 -25.172 7.190 3.440 1.00 20.11 C ATOM 1932 OG SER A 136 -23.967 6.489 3.170 1.00 22.10 O ATOM 0 H SER A 136 -24.782 7.652 1.117 1.00 4.52 H new ATOM 0 HA SER A 136 -26.504 5.815 2.455 1.00 41.22 H new ATOM 0 HB2 SER A 136 -24.981 8.263 3.459 1.00 20.11 H new ATOM 0 HB3 SER A 136 -25.549 6.915 4.425 1.00 20.11 H new ATOM 0 HG SER A 136 -23.437 6.990 2.515 1.00 22.10 H new ATOM 1938 N ALA A 137 -28.647 7.012 2.460 1.00 52.04 N ATOM 1939 CA ALA A 137 -29.945 7.637 2.668 1.00 43.51 C ATOM 1940 C ALA A 137 -30.018 7.926 4.160 1.00 61.21 C ATOM 1941 O ALA A 137 -29.694 7.003 4.946 1.00 31.32 O ATOM 1942 CB ALA A 137 -31.078 6.704 2.227 1.00 4.21 C ATOM 0 H ALA A 137 -28.701 6.020 2.230 1.00 52.04 H new ATOM 0 HA ALA A 137 -30.057 8.547 2.078 1.00 43.51 H new ATOM 0 HB1 ALA A 137 -32.038 7.194 2.392 1.00 4.21 H new ATOM 0 HB2 ALA A 137 -30.967 6.472 1.168 1.00 4.21 H new ATOM 0 HB3 ALA A 137 -31.036 5.782 2.807 1.00 4.21 H new TER 1948 ALA A 137